Peak 2 from nnoeabs.peaks (4.58, 8.10, 119.73 ppm; 3.54 A): 1 out of 12 assignments used, quality = 0.98: * HA HIS 10 + H MET 11 OK 98 100 - 98 - 3.6=97, 1102/4.2=11...(4) HA LEU 12 - H MET 11 OK 22 71 - 30 - 3.0/951=12, ~7=8...(5) HA LYS 31 - H LEU 30 OK 17 50 - 35 - 3.0/125=12, ~126=7...(7) HA THR 83 - H MET 11 lone 7 89 - 8 - 3.8/5944=3, 3.8/5943=1, 3510=1 HA LYS 31 - H MET 11 lone 4 92 - 4 - 3.0/125=3 HA HIS 10 - H LEU 30 lone 2 60 - 3 - 3787=1 HA LEU 12 - H LEU 30 lone 2 35 - 4 - 3.0/6=2, 4.9/1117=1 HA THR 83 - H LEU 30 lone 1 47 - 2 - HA SER 36 - H MET 11 lone 1 73 - 1 - HA ASP 43 - H MET 11 lone 1 76 - 1 - HA ASP 43 - H LEU 30 lone 0 39 - 1 - HA SER 36 - H LEU 30 lone 0 37 - 1 - Peak 3 from nnoeabs.peaks (3.06, 8.10, 119.73 ppm; 4.90 A): 2 out of 4 assignments used, quality = 1.00: * HB2 HIS 10 + H MET 11 OK 100 100 - 100 - 4.2=100 HB3 HIS 10 + H MET 11 OK 100 100 - 100 - 4.2=100 HB2 HIS 10 - H LEU 30 lone 3 60 - 5 - 3.0/3787=1 HB3 HIS 10 - H LEU 30 lone 3 60 - 5 - 3.0/3787=1 Peak 4 from nnoeabs.peaks (3.06, 8.10, 119.73 ppm; 4.90 A): 2 out of 4 assignments used, quality = 1.00: * HB3 HIS 10 + H MET 11 OK 100 100 - 100 - 4.2=100 HB2 HIS 10 + H MET 11 OK 100 100 - 100 - 4.2=100 HB3 HIS 10 - H LEU 30 lone 3 60 - 5 - 3.0/3787=1 HB2 HIS 10 - H LEU 30 lone 3 60 - 5 - 3.0/3787=1 Peak 5 from nnoeabs.peaks (7.00, 8.10, 119.73 ppm; 6.02 A): 2 out of 8 assignments used, quality = 0.70: * HD2 HIS 10 + H MET 11 OK 66 100 - 66 - 1104/3.6=42, 4526/4.2=22 QE PHE 80 + H LEU 30 OK 13 37 - 34 - 4594/4.8=25, 4725/4.0=4 QE PHE 80 - H MET 11 lone 7 73 - 10 - 6.3/951=2, 4594/1911=2 HD22 ASN 24 - H MET 11 poor 7 65 - 10 - 1.7/951=2, ~3791=2, 456/4.6=2 QD PHE 46 - H MET 11 lone 6 97 - 6 - 1104/3.6=2 HD2 HIS 10 - H LEU 30 lone 5 60 - 8 - 4594/4.8=2, 4.7/3787=1 QD PHE 46 - H LEU 30 lone 4 55 - 8 - 4594/4.8=5 HD22 ASN 24 - H LEU 30 lone 2 32 - 8 - 4496/4.0=2, 4497/4.8=1 Peak 6 from nnoeabs.peaks (8.10, 7.86, 120.41 ppm; 5.02 A): 1 out of 5 assignments used, quality = 1.00: * H MET 11 + H LEU 12 OK 100 100 - 100 - 4.6=100 H LEU 30 - H LEU 12 OK 13 98 - 13 - 1117/3.6=4, 951=3...(4) H ALA 89 - H LEU 12 OK 12 99 - 12 - 6026/4.0=3, 1117/3.6=2 H THR 83 - H LEU 12 lone 5 63 - 9 - 1117/3.6=2, 3.6/522=1 H ALA 71 - H LEU 12 lone 5 68 - 8 - 1117/3.6=1, 5642/4.0=1 Peak 7 from nnoeabs.peaks (4.32, 7.86, 120.41 ppm; 3.18 A): 3 out of 4 assignments used, quality = 0.86: * HA MET 11 + H LEU 12 OK 81 100 - 81 - 3.6=71, 3.0/951=10...(12) HA THR 13 + H LEU 12 OK 17 90 - 19 - 4265/4.6=5, 4259/4.0=3...(5) HA LYS 44 + H LEU 12 OK 13 85 - 16 - 3791=4, 4265/4.6=1...(6) HA ALA 86 - H LEU 12 lone 1 65 - 2 - Peak 8 from nnoeabs.peaks (1.89, 7.86, 120.41 ppm; 4.20 A): 2 out of 8 assignments used, quality = 1.00: * HB2 MET 11 + H LEU 12 OK 99 100 - 99 - 4.2=98, 3.0/7=28...(5) HB3 MET 11 + H LEU 12 OK 99 100 - 99 - 4.2=98, 3.0/7=28...(5) HB ILE 35 - H LEU 12 OK 17 81 - 20 - 3.2/527=8, 2123/4.6=7, ~1165=4 HB3 LYS 78 - H LEU 12 OK 14 73 - 19 - 4.4/1011=5, 4.0/5823=3...(5) HG3 PRO 19 - H LEU 12 OK 13 65 - 20 - ~4345=6, ~4347=4...(4) HG3 PRO 81 - H LEU 12 OK 12 68 - 18 - 2.3/5911=5, 2.3/5906=5...(5) HB3 GLN 58 - H LEU 12 OK 12 100 - 12 - 5288/4.6=4, 2.9/11=2, 1119/3.6=1 HD2 LYS 78 - H LEU 12 poor 9 65 - 14 - 2.9/525=3, 6.2/5823=2...(6) Peak 9 from nnoeabs.peaks (1.89, 7.86, 120.41 ppm; 4.20 A): 2 out of 8 assignments used, quality = 1.00: * HB3 MET 11 + H LEU 12 OK 99 100 - 99 - 4.2=98, 3.0/7=28...(5) HB2 MET 11 + H LEU 12 OK 99 100 - 99 - 4.2=98, 3.0/7=28...(5) HB ILE 35 - H LEU 12 OK 18 85 - 21 - 3.2/527=8, 2123/4.6=7, ~1165=4 HB3 LYS 78 - H LEU 12 OK 15 78 - 19 - 4.4/1011=5, 4.0/5823=3...(5) HG3 PRO 19 - H LEU 12 OK 14 71 - 20 - ~4345=6, ~4347=4...(4) HB3 GLN 58 - H LEU 12 OK 12 100 - 12 - 5288/4.6=4, 2.9/11=2, 1120/3.6=1 HG3 PRO 81 - H LEU 12 OK 11 63 - 18 - 2.3/5911=5, 2.3/5906=5...(5) HD2 LYS 78 - H LEU 12 poor 8 60 - 14 - 2.9/525=3, 6.2/5823=2...(6) Peak 11 from nnoeabs.peaks (2.25, 7.86, 120.41 ppm; 6.20 A): 4 out of 4 assignments used, quality = 0.92: * HG3 MET 11 + H LEU 12 OK 79 100 - 79 - 4.0/7=35, 5.0/951=24...(6) HB2 PRO 84 + H LEU 12 OK 40 100 - 41 - 1122/3.6=10, 3795=9...(8) HG3 GLN 58 + H LEU 12 OK 21 71 - 30 - 5285/4.6=8, 5283/4.0=4...(8) HE2 LYS 68 + H LEU 12 OK 21 73 - 29 - 3.7/524=5, 4.9/523=4...(9) Peak 13 from nnoeabs.peaks (7.86, 8.44, 110.79 ppm; 6.20 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 12 + H THR 13 OK 100 100 - 100 - 4.6=100 H LYS 65 + H THR 13 OK 50 97 - 52 - 1159/3.6=10, 1173/4.6=10...(12) H PHE 80 - H THR 13 OK 43 99 - 43 - 3.6/4281=11, 1159/3.6=7...(10) HD21 ASN 24 - H THR 13 OK 32 93 - 34 - 1159/3.6=7, 1166/4.6=6...(9) Peak 14 from nnoeabs.peaks (4.61, 8.44, 110.79 ppm; 3.78 A): 1 out of 11 assignments used, quality = 1.00: * HA LEU 12 + H THR 13 OK 100 100 - 100 - 3.6=100 HA THR 38 - H THR 13 OK 13 100 - 13 - ~4784=2, 3.2/1209=2...(6) HA ASN 24 - H THR 13 poor 8 83 - 10 - 1624/4.6=2, 1167/4.6=2...(6) HA ASN 63 - H THR 13 lone 8 92 - 9 - 522/4.6=2, 1174/4.6=2 HA ARG 27 - H THR 13 lone 5 97 - 5 - HA GLU 33 - H THR 13 lone 5 71 - 6 - 1195/3802=1, 1174/4.6=1 HA ASP 43 - H THR 13 lone 4 100 - 4 - HA HIS 10 - H THR 13 lone 4 71 - 5 - 522/4.6=1 HA LYS 31 - H THR 13 lone 4 97 - 4 - HA ASP 82 - H THR 13 lone 4 97 - 4 - HA HIS 42 - H THR 13 lone 1 71 - 1 - Peak 15 from nnoeabs.peaks (1.60, 8.44, 110.79 ppm; 4.84 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LEU 12 + H THR 13 OK 100 100 - 100 - 4.6=100 HG LEU 73 - H THR 13 OK 32 83 - 39 - ~6151=14, ~5714=13...(4) HB2 LYS 68 - H THR 13 OK 26 100 - 26 - 1175/4.6=6, 1161/3.6=5...(7) HD3 LYS 65 - H THR 13 OK 22 87 - 25 - 523/4.6=5, 1161/3.6=5...(8) HD2 LYS 65 - H THR 13 OK 19 81 - 24 - 523/4.6=5, 1161/3.6=4...(8) HD2 LYS 14 - H THR 13 OK 15 92 - 16 - 3.0/531=4, ~1204=2...(6) HD3 LYS 14 - H THR 13 OK 14 90 - 16 - 3.0/531=4, ~1204=2...(6) HG LEU 23 - H THR 13 lone 8 96 - 8 - 1161/3.6=1, 1175/4.6=1, ~6152=1 HB2 LEU 87 - H THR 13 lone 7 100 - 7 - HG LEU 87 - H THR 13 lone 6 97 - 6 - ~6151=1 HG LEU 85 - H THR 13 lone 6 99 - 6 - ~6151=1 HB3 LEU 85 - H THR 13 lone 6 99 - 6 - ~6151=1 Peak 16 from nnoeabs.peaks (1.38, 8.44, 110.79 ppm; 4.35 A): 1 out of 11 assignments used, quality = 0.95: * HB3 LEU 12 + H THR 13 OK 95 100 - 95 - 4.6=83, 3.1/3802=31...(11) HG2 LYS 44 - H THR 13 OK 24 99 - 24 - 2277/3.0=4, 3.8/529=4...(10) HB2 LYS 64 - H THR 13 OK 24 93 - 25 - 4023/4.6=5, 1162/3.6=4...(10) HG2 LYS 68 - H THR 13 OK 22 99 - 22 - 1169/4.6=4, 1162/3.6=4...(8) QB ALA 67 - H THR 13 OK 21 100 - 21 - 5501/4.0=6, 4283/3.0=4...(6) QB ALA 69 - H THR 13 OK 18 98 - 18 - 5583/4.0=4, 1169/4.6=2...(8) HB3 LYS 56 - H THR 13 OK 10 100 - 10 - 1162/3.6=2, 1169/4.6=1 HD3 LYS 56 - H THR 13 lone 7 89 - 8 - 1162/3.6=1 HG2 LYS 91 - H THR 13 lone 3 71 - 5 - HG3 LYS 91 - H THR 13 lone 3 71 - 5 - QB ALA 89 - H THR 13 lone 3 83 - 3 - Peak 17 from nnoeabs.peaks (1.46, 8.44, 110.79 ppm; 6.20 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 12 + H THR 13 OK 100 100 - 100 - 4.9=100 HG LEU 79 + H THR 13 OK 51 96 - 53 - 4.3/4281=10, 2.1/18=9...(11) HG2 LYS 65 - H THR 13 OK 33 87 - 39 - 2937/4.6=10, 5.0/13=6...(9) HB3 LYS 64 - H THR 13 OK 27 76 - 36 - 4024/4.6=7, 4.6/13=7...(10) HD2 LYS 64 - H THR 13 OK 26 99 - 27 - 1177/4.6=5, 3.8/16=5...(7) HG3 LYS 78 - H THR 13 OK 21 99 - 21 - 525/4.6=3, 1170/4.6=3...(8) HB3 LEU 76 - H THR 13 OK 17 100 - 17 - 525/4.6=3, 1163/3.6=2...(6) HB3 ARG 45 - H THR 13 OK 15 97 - 15 - ~6021=2, 6020/3.0=2...(5) Peak 18 from nnoeabs.peaks (0.74, 8.44, 110.79 ppm; 5.89 A): 2 out of 6 assignments used, quality = 0.97: * QD1 LEU 12 + H THR 13 OK 93 100 - 93 - 3801=50, 2.1/3802=50...(12) QD1 LEU 79 + H THR 13 OK 57 98 - 58 - 1164/3.6=10, 4.0/4281=10...(12) QG1 VAL 20 - H THR 13 OK 45 100 - 45 - 4.0/4285=9, 4415/4.6=7...(9) QG2 VAL 20 - H THR 13 OK 35 90 - 38 - 4.0/4285=9, 4401/4.6=6...(9) HG2 LYS 26 - H THR 13 OK 24 100 - 23 - ~6151=3, 6100/4.0=3...(10) QD1 LEU 30 - H THR 13 poor 9 73 - 12 - 6152/3.0=2, 6100/4.0=2...(4) Peak 19 from nnoeabs.peaks (0.66, 8.44, 110.79 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.95: * QD2 LEU 12 + H THR 13 OK 91 100 - 91 - 3802=50, 2.1/3801=30...(13) QD1 ILE 35 + H THR 13 OK 48 97 - 50 - 1165/3.6=12, 1179/4.6=11...(13) Peak 21 from nnoeabs.peaks (4.33, 8.88, 121.79 ppm; 4.90 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 13 + H LYS 14 OK 100 100 - 100 - 3.6=100 HA LYS 44 - H LYS 14 OK 15 100 - 15 - 529/4.6=4, 1206/4.3=3...(6) HA MET 11 - H LYS 14 poor 9 90 - 10 - 529/4.6=5, 1206/4.3=2 HA ILE 35 - H LYS 14 lone 5 73 - 7 - 529/4.6=2, 1206/4.3=1 HA ARG 45 - H LYS 14 lone 3 83 - 4 - Peak 22 from nnoeabs.peaks (4.48, 8.88, 121.79 ppm; 5.11 A): 2 out of 3 assignments used, quality = 1.00: * HB THR 13 + H LYS 14 OK 100 100 - 100 - 4.3=100 HA2 GLY 61 + H LYS 14 OK 55 99 - 55 - 4014=15, 5378/4.1=13...(12) HA LYS 17 - H LYS 14 poor 7 60 - 11 - 530/4.6=4, 1203/3.6=4 Peak 23 from nnoeabs.peaks (1.10, 8.88, 121.79 ppm; 5.32 A): 3 out of 4 assignments used, quality = 1.00: * QG2 THR 13 + H LYS 14 OK 100 100 - 100 - 4.1=100 HG3 LYS 14 + H LYS 14 OK 100 100 - 100 - 4.9=100 QG1 VAL 66 + H LYS 14 OK 54 93 - 58 - 2.1/6170=12, 1208/4.3=9...(16) QG2 THR 38 - H LYS 14 poor 10 76 - 12 - 531/4.6=3, 1204/3.6=3...(4) Peak 25 from nnoeabs.peaks (4.10, 7.93, 116.56 ppm; 5.22 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 14 + H HIS 15 OK 100 100 - 100 - 3.6=100 HB2 SER 62 - H HIS 15 OK 26 87 - 29 - 3.0/543=11, 2791/4.5=7...(6) HA LYS 91 - H HIS 15 OK 24 100 - 24 - 3806=8, 1213/4.5=7...(6) HA LYS 26 - H HIS 15 lone 9 100 - 9 - 533/4.5=3, 1234/4.7=2 HB THR 83 - H HIS 15 poor 8 73 - 10 - 5942/4.7=7 HA3 GLY 61 - H HIS 15 lone 6 71 - 9 - 4015/4.5=5 Peak 34 from nnoeabs.peaks (7.93, 8.29, 108.56 ppm; 5.73 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 15 + H GLY 16 OK 100 100 - 100 - 4.7=100 HD21 ASN 18 - H GLY 16 OK 15 96 - 16 - 1303/3.6=4, 1308/4.5=4 Peak 35 from nnoeabs.peaks (4.72, 8.29, 108.56 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 15 + H GLY 16 OK 100 100 - 100 - 3.6=100 HA SER 62 - H GLY 16 OK 19 97 - 19 - 543/4.7=4, 1314/4.5=3...(6) Peak 36 from nnoeabs.peaks (3.33, 8.29, 108.56 ppm; 5.32 A): 1 out of 2 assignments used, quality = 1.00: * HB2 HIS 15 + H GLY 16 OK 100 100 - 100 - 4.5=100 HB3 TYR 70 - H GLY 16 OK 43 99 - 43 - 1305/3.6=14, 1315/4.5=12...(9) Peak 37 from nnoeabs.peaks (2.96, 8.29, 108.56 ppm; 5.25 A): 1 out of 8 assignments used, quality = 1.00: * HB3 HIS 15 + H GLY 16 OK 100 100 - 100 - 4.5=100 HB2 TYR 70 - H GLY 16 OK 31 83 - 37 - 1.8/36=12, 3128/4.5=10...(7) HE3 LYS 91 - H GLY 16 lone 9 100 - 9 - 545/4.7=2, 1306/3.6=2 HE2 LYS 91 - H GLY 16 lone 9 100 - 9 - 545/4.7=2, 1306/3.6=2 HE3 LYS 31 - H GLY 16 lone 6 100 - 6 - 5.3/4300=1, 1306/3.6=1 HE2 LYS 31 - H GLY 16 lone 6 100 - 6 - 5.3/4300=1, 1306/3.6=1 HD2 ARG 45 - H GLY 16 lone 6 97 - 6 - 1306/3.6=1 HD3 ARG 45 - H GLY 16 lone 6 97 - 6 - 1306/3.6=1 Peak 39 from nnoeabs.peaks (8.29, 7.60, 118.49 ppm; 4.69 A): 1 out of 7 assignments used, quality = 1.00: * H GLY 16 + H LYS 17 OK 100 100 - 100 - 4.6=100 H ALA 60 - H LYS 17 OK 19 83 - 22 - 3.5/551=7, 273/3.0=4...(7) H LYS 64 - H LYS 17 OK 15 100 - 15 - 1326/3.6=3, 4.4/2815=3...(4) H LEU 85 - H LYS 17 OK 15 87 - 17 - 403/3.6=10, 1326/3.6=3, 403/40=1 H VAL 66 - H LYS 17 OK 11 63 - 17 - 4.0/4316=4, 4.4/552=3...(6) H GLU 77 - H LYS 17 lone 3 65 - 5 - H GLU 37 - H LYS 17 lone 3 63 - 4 - Peak 40 from nnoeabs.peaks (3.67, 7.60, 118.49 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 16 + H LYS 17 OK 100 100 - 100 - 3.6=100 HD3 PRO 84 - H LYS 17 OK 24 100 - 24 - 1327/3.6=8, 548/4.6=8...(5) Peak 41 from nnoeabs.peaks (3.97, 7.60, 118.49 ppm; 4.62 A): 1 out of 6 assignments used, quality = 1.00: * HA3 GLY 16 + H LYS 17 OK 100 100 - 100 - 3.6=100 HA PRO 19 - H LYS 17 OK 42 92 - 46 - 3832=11, 3.6/3830=6...(12) HA ALA 71 - H LYS 17 OK 22 99 - 22 - 5650/3.0=5, 549/4.6=2...(10) HA ALA 72 - H LYS 17 OK 21 97 - 22 - 2.1/5693=8, 5676/4.8=2...(8) HB3 SER 62 - H LYS 17 lone 7 89 - 8 - 549/4.6=2, 5389/4316=1 HA GLU 25 - H LYS 17 lone 7 100 - 6 - Peak 42 from nnoeabs.peaks (7.60, 8.78, 121.13 ppm; 5.38 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 17 + H ASN 18 OK 100 100 - 100 - 4.7=100 H VAL 20 + H ASN 18 OK 82 100 - 82 - 4387/3.0=35, 57/4.8=21...(14) HD21 ASN 63 - H ASN 18 OK 30 93 - 31 - 3830/4.8=5, 3831/4.8=4...(11) H LYS 17 - H PHE 57 OK 15 55 - 28 - 3.0/3821=6, 4.8/3825=4...(9) H VAL 20 - H PHE 57 OK 13 54 - 24 - 4383/4.6=4, 4384/4.6=4...(5) H LYS 44 - H ASN 18 OK 13 68 - 18 - 3830/4.8=2, 6065/5.7=2...(4) H LYS 44 - H PHE 57 poor 4 31 - 14 - 703/4.6=3, 4.0/3913=2 HD21 ASN 63 - H PHE 57 lone 3 47 - 7 - Peak 43 from nnoeabs.peaks (4.45, 8.78, 121.13 ppm; 3.27 A): 2 out of 6 assignments used, quality = 0.86: * HA LYS 17 + H ASN 18 OK 85 100 - 85 - 3.6=77, 3.0/45=8...(9) HA3 GLY 59 + H ASN 18 OK 10 100 - 10 - 551/4.7=3, 1360/4.9=2...(5) HA LYS 17 - H PHE 57 poor 9 55 - 16 - 3821=5, 5223/4.6=3...(7) HB THR 13 - H ASN 18 lone 3 60 - 5 - 551/4.7=2 HA3 GLY 59 - H PHE 57 lone 1 54 - 2 - HB THR 13 - H PHE 57 lone 0 26 - 1 - Peak 44 from nnoeabs.peaks (1.72, 8.78, 121.13 ppm; 3.53 A): 3 out of 16 assignments used, quality = 0.92: * HB2 LYS 17 + H ASN 18 OK 71 100 - 71 - 4.6=45, 3.0/43=23...(10) HB3 LYS 17 + H ASN 18 OK 71 100 - 71 - 4.6=45, 3.0/43=23...(10) HB3 LYS 65 + H ASN 18 OK 10 93 - 11 - 1331/3.6=2, 2932/4.9=2...(5) HB2 LYS 17 - H PHE 57 poor 9 55 - 17 - 3.0/3821=4, 3822=2...(8) HB3 LYS 17 - H PHE 57 poor 9 55 - 17 - 3.0/3821=4, 3822=2...(8) HB3 GLN 55 - H ASN 18 poor 7 63 - 11 - 3.9/236=2, 4.6/988=2...(5) HB3 GLN 55 - H PHE 57 poor 6 28 - 21 - 3.9/236=6, 4.6/988=5...(7) HG2 LYS 78 - H PHE 57 poor 4 39 - 11 - 4662/6.4=4, 5826/8.1=2 HB3 LYS 31 - H ASN 18 lone 4 81 - 4 - HB3 MET 48 - H ASN 18 lone 3 57 - 6 - 4.0/4920=2 HB3 ARG 27 - H PHE 57 lone 3 35 - 9 - 4662/6.4=2, 1780/4.0=1 HB3 ARG 27 - H ASN 18 lone 3 76 - 4 - HB3 LYS 65 - H PHE 57 lone 3 47 - 5 - 3988/4.6=1 HB3 MET 48 - H PHE 57 poor 3 25 - 10 - 4.0/4920=4, 4.7/4928=2 HG2 LYS 78 - H ASN 18 lone 2 83 - 3 - HB3 LYS 31 - H PHE 57 lone 2 38 - 5 - Peak 45 from nnoeabs.peaks (1.72, 8.78, 121.13 ppm; 3.53 A): 3 out of 16 assignments used, quality = 0.92: * HB3 LYS 17 + H ASN 18 OK 71 100 - 71 - 4.6=45, 3.0/43=23...(10) HB2 LYS 17 + H ASN 18 OK 71 100 - 71 - 4.6=45, 3.0/43=23...(10) HB3 LYS 65 + H ASN 18 OK 10 92 - 11 - 1331/3.6=2, 1362/4.9=2...(5) HB3 LYS 17 - H PHE 57 poor 9 55 - 17 - 3.0/3821=4, 3822=2...(8) HB2 LYS 17 - H PHE 57 poor 9 55 - 17 - 3.0/3821=4, 3822=2...(8) HB3 GLN 55 - H ASN 18 poor 7 60 - 11 - 3.9/236=2, 4.6/988=2...(5) HB3 GLN 55 - H PHE 57 poor 5 26 - 21 - 3.9/236=6, 4.6/988=5...(7) HG2 LYS 78 - H PHE 57 poor 4 41 - 11 - 4662/6.4=4, 5826/8.1=2 HB3 LYS 31 - H ASN 18 lone 4 83 - 4 - HB3 ARG 27 - H PHE 57 lone 3 36 - 10 - 4662/6.4=2, 1780/4.0=2 HB3 ARG 27 - H ASN 18 lone 3 78 - 4 - HB3 LYS 65 - H PHE 57 lone 2 46 - 5 - HG2 LYS 78 - H ASN 18 lone 2 85 - 3 - HB3 LYS 31 - H PHE 57 lone 2 39 - 5 - HB2 LEU 30 - H PHE 57 lone 1 26 - 5 - 3.0/3981=1 HB2 LEU 30 - H ASN 18 lone 1 60 - 2 - Peak 46 from nnoeabs.peaks (1.24, 8.78, 121.13 ppm; 4.57 A): 2 out of 18 assignments used, quality = 0.96: * HG2 LYS 17 + H ASN 18 OK 93 100 - 93 - 4.9=81, 3.9/43=28...(12) QD1 LEU 34 + H ASN 18 OK 32 78 - 41 - 2.1/2096=6, 2.1/2089=6...(13) QD1 LEU 34 - H PHE 57 OK 20 36 - 55 - 2.1/2096=12, 3.1/2075=10...(11) HG13 ILE 35 - H ASN 18 OK 19 98 - 19 - 2.1/4318=5, 4.5/154=4...(6) HG2 LYS 17 - H PHE 57 OK 18 55 - 32 - 3.9/3821=4, 3824=4...(11) HB2 LEU 79 - H ASN 18 OK 16 95 - 17 - 3385/4.8=7, 2.9/4322=3...(4) HD3 LYS 68 - H ASN 18 OK 15 96 - 16 - 1333/3.6=3, 554/4.7=2...(5) HD2 LYS 68 - H ASN 18 OK 15 95 - 15 - 1333/3.6=3, 554/4.7=2...(5) HG3 LYS 65 - H ASN 18 OK 13 71 - 19 - 1333/3.6=3, 2950/4.6=2...(7) HG13 ILE 35 - H PHE 57 OK 11 51 - 22 - 2.1/4732=6, 4.5/154=5...(5) HB2 LEU 79 - H PHE 57 OK 10 48 - 21 - 3384/4.6=5, 5856/6.4=4...(6) HB3 LEU 23 - H ASN 18 lone 7 81 - 9 - 554/4.7=1, 1373/4.9=1 QG2 THR 83 - H ASN 18 lone 6 68 - 9 - 5938/4.8=3, 4.2/4321=3 HD3 LYS 68 - H PHE 57 lone 5 49 - 10 - 3087/4.6=1 HD2 LYS 68 - H PHE 57 lone 5 48 - 9 - 3087/4.6=1 HB3 LEU 23 - H PHE 57 lone 4 38 - 9 - 3.1/5247=2, 4471/4.6=1 HG3 LYS 65 - H PHE 57 lone 2 32 - 7 - QG2 THR 83 - H PHE 57 lone 1 31 - 3 - Peak 47 from nnoeabs.peaks (1.27, 8.78, 121.13 ppm; 4.73 A): 2 out of 16 assignments used, quality = 0.99: * HG3 LYS 17 + H ASN 18 OK 97 100 - 97 - 4.9=90, 3.9/43=30...(13) HG3 LYS 56 + H ASN 18 OK 51 98 - 52 - 1334/3.6=7, 1.8/3994=7...(15) HG3 LYS 56 - H PHE 57 OK 39 51 - 76 - 4.0/3991=19, 1.8/3994=13...(20) HG3 LYS 65 - H ASN 18 OK 27 99 - 27 - 1334/3.6=6, 555/4.7=3...(8) HG3 LYS 17 - H PHE 57 OK 24 55 - 43 - 2624/4.6=5, 2614/3.6=5...(13) HB2 LEU 79 - H ASN 18 OK 14 85 - 17 - 3385/4.8=6, 2.9/4322=3 HB3 LEU 23 - H ASN 18 OK 10 97 - 11 - 555/4.7=2, 1334/3.6=2 HD3 LYS 44 - H PHE 57 OK 10 39 - 26 - 2634/4.6=6, 2624/4.6=5...(5) HB2 LEU 79 - H PHE 57 poor 10 41 - 24 - 3384/4.6=5, 5856/6.4=4...(9) HG3 LYS 65 - H PHE 57 poor 9 53 - 16 - 2614/3.6=2, 763/4.6=2...(5) HD3 LYS 44 - H ASN 18 lone 8 83 - 10 - HB3 LYS 68 - H ASN 18 poor 8 78 - 10 - 3050/4.9=2, 1334/3.6=1 HB3 LEU 23 - H PHE 57 poor 7 50 - 14 - 3.1/5247=2, 4471/4.6=2...(5) HB3 LYS 68 - H PHE 57 poor 7 36 - 18 - 2634/4.6=4, 2624/4.6=3...(4) HG3 LYS 31 - H ASN 18 lone 5 60 - 7 - HG3 LYS 31 - H PHE 57 poor 3 26 - 13 - 2624/4.6=2, 2634/4.6=2...(4) Peak 48 from nnoeabs.peaks (1.51, 8.78, 121.13 ppm; 5.02 A): 4 out of 28 assignments used, quality = 0.98: HD3 LYS 17 + H ASN 18 OK 71 100 - 71 - 5.1/43=25, 3.7/45=14...(13) * HD2 LYS 17 + H ASN 18 OK 71 100 - 71 - 5.1/43=25, 3.7/45=14...(13) HB2 LYS 56 + H ASN 18 OK 58 99 - 59 - 5223/3.6=10, 3992=9...(17) HB2 LYS 56 + H PHE 57 OK 52 52 - 100 - 4.6=100 HG LEU 34 - H ASN 18 OK 45 99 - 45 - 2089=8, 2.1/2096=7...(13) HD2 LYS 56 - H ASN 18 OK 36 76 - 48 - 3.4/3992=6, 3.0/3994=6...(16) HG LEU 34 - H PHE 57 OK 36 53 - 68 - 2.1/2096=14, 2089=13...(17) HD2 LYS 56 - H PHE 57 OK 28 35 - 81 - 5.3/3991=15, 3.0/3994=12...(23) HD2 LYS 17 - H PHE 57 OK 25 55 - 45 - 2631/4.6=5, 2611/3.6=5...(14) HD3 LYS 17 - H PHE 57 OK 25 55 - 45 - 2631/4.6=5, 2611/3.6=5...(14) QB ALA 71 - H PHE 57 OK 23 50 - 46 - 5652/4.0=12, 5654/4.0=7...(13) QB ALA 72 - H ASN 18 OK 20 90 - 22 - 5693/4.7=6, 5672/4.9=3...(6) HG3 ARG 27 - H PHE 57 OK 15 51 - 28 - 1796/4.0=4, ~2701=3...(9) QB ALA 72 - H PHE 57 OK 14 44 - 31 - 5696/4.4=16, 760/4.6=2...(7) QB ALA 71 - H ASN 18 OK 14 97 - 14 - 1336/3.6=2, 557/4.7=2 HG3 ARG 27 - H ASN 18 OK 12 98 - 12 - 1335/3.6=1 HD3 LYS 64 - H PHE 57 poor 9 46 - 20 - 2879/4.6=3, 2615/3.6=2...(6) HB3 LYS 26 - H PHE 57 poor 8 51 - 15 - 2611/3.6=1, 4670/4.4=1...(5) HD3 LYS 64 - H ASN 18 lone 7 92 - 8 - HG2 GLU 37 - H PHE 57 poor 7 53 - 12 - 4776/2096=2, 2611/3.6=1 HG2 GLU 37 - H ASN 18 lone 6 99 - 6 - HB3 LYS 26 - H ASN 18 lone 6 98 - 6 - HB2 LEU 85 - H PHE 57 poor 6 54 - 10 - 3633/4.6=1 HB2 LEU 85 - H ASN 18 lone 5 100 - 5 - HB3 LEU 87 - H PHE 57 poor 4 35 - 12 - 3633/4.6=2, 3.0/3981=1 HB2 ARG 45 - H ASN 18 lone 3 100 - 3 - HB3 LEU 87 - H ASN 18 lone 3 76 - 4 - HB2 ARG 45 - H PHE 57 lone 3 55 - 6 - Peak 49 from nnoeabs.peaks (1.51, 8.78, 121.13 ppm; 5.02 A): 4 out of 28 assignments used, quality = 0.98: * HD3 LYS 17 + H ASN 18 OK 71 100 - 71 - 5.1/43=25, 3.7/45=14...(13) HD2 LYS 17 + H ASN 18 OK 71 100 - 71 - 5.1/43=25, 3.7/45=14...(13) HB2 LYS 56 + H ASN 18 OK 58 99 - 59 - 5223/3.6=10, 3992=9...(17) HB2 LYS 56 + H PHE 57 OK 52 52 - 100 - 4.6=100 HG LEU 34 - H ASN 18 OK 45 99 - 45 - 2089=8, 2.1/2096=7...(13) HD2 LYS 56 - H ASN 18 OK 36 76 - 48 - 3.4/3992=6, 3.0/3994=6...(16) HG LEU 34 - H PHE 57 OK 36 53 - 68 - 2.1/2096=14, 2089=13...(17) HD2 LYS 56 - H PHE 57 OK 28 35 - 81 - 5.3/3991=15, 3.0/3994=12...(23) HD2 LYS 17 - H PHE 57 OK 25 55 - 45 - 2631/4.6=5, 2611/3.6=5...(14) HD3 LYS 17 - H PHE 57 OK 25 55 - 45 - 2631/4.6=5, 2611/3.6=5...(14) QB ALA 71 - H PHE 57 OK 23 50 - 46 - 5652/4.0=12, 5654/4.0=7...(13) QB ALA 72 - H ASN 18 OK 20 90 - 22 - 5693/4.7=6, 5672/4.9=3...(6) HG3 ARG 27 - H PHE 57 OK 15 51 - 28 - 1796/4.0=4, ~2701=3...(9) QB ALA 72 - H PHE 57 OK 14 44 - 31 - 5696/4.4=16, 760/4.6=2...(7) QB ALA 71 - H ASN 18 OK 14 97 - 14 - 1336/3.6=2, 557/4.7=2 HG3 ARG 27 - H ASN 18 OK 12 98 - 12 - 1335/3.6=1 HD3 LYS 64 - H PHE 57 poor 9 46 - 20 - 2879/4.6=3, 2615/3.6=2...(6) HB3 LYS 26 - H PHE 57 poor 8 51 - 15 - 2611/3.6=1, 4670/4.4=1...(5) HD3 LYS 64 - H ASN 18 lone 7 92 - 8 - HG2 GLU 37 - H PHE 57 poor 7 53 - 12 - 4776/2096=2, 2611/3.6=1 HG2 GLU 37 - H ASN 18 lone 6 99 - 6 - HB3 LYS 26 - H ASN 18 lone 6 98 - 6 - HB2 LEU 85 - H PHE 57 poor 6 54 - 10 - 3633/4.6=1 HB2 LEU 85 - H ASN 18 lone 5 100 - 5 - HB3 LEU 87 - H PHE 57 poor 4 35 - 12 - 3633/4.6=2, 3.0/3981=1 HB2 ARG 45 - H ASN 18 lone 3 100 - 3 - HB3 LEU 87 - H ASN 18 lone 3 76 - 4 - HB2 ARG 45 - H PHE 57 lone 3 55 - 6 - Peak 52 from nnoeabs.peaks (3.99, 7.59, 116.61 ppm; 4.16 A): 1 out of 7 assignments used, quality = 1.00: * HA PRO 19 + H VAL 20 OK 100 100 - 100 - 3.5=100 HA3 GLY 16 - H VAL 20 OK 37 92 - 40 - 3820=9, 1.8/3819=7...(12) HA ALA 72 - H VAL 20 OK 36 68 - 53 - 2.1/5693=21, ~5682=17...(9) HA LEU 79 - H VAL 20 OK 30 85 - 36 - 1456/3.5=5, 3382/4.0=4...(12) HA GLU 25 - H VAL 20 OK 20 92 - 22 - 1640/3.5=4, 1640/3.5=4...(8) HA ALA 71 - H VAL 20 OK 13 81 - 16 - 2.1/4384=3, 1472/4.9=2...(8) HB3 SER 62 - H VAL 20 lone 6 100 - 6 - Peak 53 from nnoeabs.peaks (1.98, 7.59, 116.61 ppm; 3.14 A): 2 out of 12 assignments used, quality = 0.97: * HB2 PRO 19 + H VAL 20 OK 83 100 - 83 - 3.5=72, 3.0/57=11...(7) HB3 PRO 19 + H VAL 20 OK 82 100 - 83 - 3.5=72, 3.0/57=11...(7) HG2 PRO 19 - H VAL 20 OK 44 83 - 53 - 4.9=27, 2.3/57=12...(5) HB3 PRO 81 - H VAL 20 OK 32 97 - 32 - 3.0/567=8, 2.3/56=5...(10) HG2 PRO 84 - H VAL 20 OK 16 90 - 18 - 2.3/58=5, 2.3/56=3...(6) HE3 LYS 68 - H VAL 20 lone 10 99 - 10 - 5566/4.0=3, 5566/4.0=2 HB2 GLN 58 - H VAL 20 lone 8 85 - 10 - 4.6/1019=2, 1.8/56=2, 3482/3.0=1 HB2 LYS 78 - H VAL 20 lone 7 93 - 8 - 1.8/56=2, 3300/4.9=1, 1453/3.5=1 HB2 GLU 25 - H VAL 20 lone 7 95 - 7 - 1645/3.5=2, 3.0/52=1 HB2 GLU 77 - H VAL 20 lone 6 81 - 8 - 3.0/4386=2, ~4390=1 HB2 LEU 34 - H VAL 20 lone 5 92 - 6 - HB2 GLU 51 - H VAL 20 lone 2 96 - 2 - Peak 54 from nnoeabs.peaks (1.98, 7.59, 116.61 ppm; 3.14 A): 2 out of 12 assignments used, quality = 0.97: * HB3 PRO 19 + H VAL 20 OK 83 100 - 83 - 3.5=72, 3.0/57=11...(6) HB2 PRO 19 + H VAL 20 OK 82 100 - 83 - 3.5=72, 3.0/57=11...(7) HG2 PRO 19 - H VAL 20 OK 38 73 - 52 - 4.9=27, 2.3/57=12...(5) HB3 PRO 81 - H VAL 20 OK 30 93 - 32 - 3.0/567=8, 2.3/56=5...(10) HG2 PRO 84 - H VAL 20 OK 18 96 - 19 - 2.3/58=5, 2.3/56=3...(6) HE3 LYS 68 - H VAL 20 lone 10 100 - 10 - 5566/4.0=3, 5566/4.0=2 HB2 LYS 78 - H VAL 20 lone 8 97 - 8 - 1.8/56=2, 3300/4.9=1, 1453/3.5=1 HB2 GLU 25 - H VAL 20 lone 7 98 - 8 - 1645/3.5=2, 3.0/52=1 HB2 GLN 58 - H VAL 20 lone 6 76 - 8 - 4.6/1019=2, 1.8/56=2, 3482/3.0=1 HB2 LEU 34 - H VAL 20 lone 6 97 - 6 - HB2 GLU 77 - H VAL 20 lone 5 71 - 6 - 3.0/4386=2, ~4390=1 HB2 GLU 51 - H VAL 20 lone 1 90 - 2 - Peak 55 from nnoeabs.peaks (1.96, 7.59, 116.61 ppm; 2.85 A): 4 out of 15 assignments used, quality = 0.94: HB2 PRO 19 + H VAL 20 OK 56 83 - 68 - 3.5=54, 3.0/57=9...(5) HB3 PRO 19 + H VAL 20 OK 50 73 - 68 - 3.5=54, 3.0/57=9...(5) HB VAL 20 + H VAL 20 OK 48 78 - 61 - 4.0=37, 2.1/1501=15...(7) * HG2 PRO 19 + H VAL 20 OK 46 100 - 46 - 4.9=20, 2.3/57=10...(6) HB3 PRO 81 - H VAL 20 OK 26 97 - 27 - 3.0/567=6, 2.3/56=4...(10) HB3 GLU 22 - H VAL 20 OK 22 89 - 24 - 4.0/1019=5, 3.0/4386=5...(10) HG3 PRO 84 - H VAL 20 OK 17 97 - 18 - 2.3/58=4, 3567/3.5=2...(6) HB2 LEU 76 - H VAL 20 OK 12 93 - 13 - 3228/4.0=2, 3.1/570=2...(6) HB2 GLN 58 - H VAL 20 OK 10 100 - 10 - 1491=2, 4.6/1019=1...(4) HB2 GLU 77 - H VAL 20 lone 10 100 - 10 - 3.0/4386=2 HB2 GLU 33 - H VAL 20 lone 3 89 - 4 - HE3 LYS 68 - H VAL 20 lone 3 65 - 5 - 5566/4.0=2, 5566/4.0=1 QE MET 48 - H VAL 20 lone 2 60 - 4 - HB2 GLU 51 - H VAL 20 lone 1 99 - 1 - HB VAL 47 - H VAL 20 lone 1 60 - 2 - Peak 56 from nnoeabs.peaks (1.87, 7.59, 116.61 ppm; 3.76 A): 4 out of 12 assignments used, quality = 0.96: * HG3 PRO 19 + H VAL 20 OK 81 100 - 81 - 4.9=46, 2.3/57=19...(12) HG2 PRO 81 + H VAL 20 OK 53 99 - 53 - 2.3/567=13, 3489/3.0=11...(14) HB3 PRO 84 + H VAL 20 OK 32 95 - 33 - 3.0/58=6, 3553/3.5=5...(10) HB2 GLU 22 + H VAL 20 OK 31 71 - 43 - 4.0/1019=9, 3.0/4386=9...(10) HB3 LYS 78 - H VAL 20 OK 21 100 - 21 - 5819/3.5=4, 3309/3.5=4...(5) HB3 GLN 58 - H VAL 20 OK 17 73 - 23 - 5288/4.0=4, 5288/4.0=4...(10) HB ILE 35 - H VAL 20 lone 8 99 - 8 - 1476/4.9=1 HB2 GLU 49 - H VAL 20 lone 6 78 - 8 - ~4150=1 HB VAL 66 - H VAL 20 lone 6 71 - 8 - 5576/6190=1, 4143/3.5=1 HB3 GLU 37 - H VAL 20 lone 5 99 - 5 - HB3 MET 11 - H VAL 20 lone 1 71 - 2 - HB2 MET 11 - H VAL 20 lone 1 65 - 2 - Peak 57 from nnoeabs.peaks (4.02, 7.59, 116.61 ppm; 4.22 A): 2 out of 2 assignments used, quality = 0.90: * HD2 PRO 19 + H VAL 20 OK 83 100 - 83 - 1456/3.5=26, 1.8/58=24...(17) HA LEU 79 + H VAL 20 OK 42 89 - 47 - 1456/3.5=11, 1484/4.9=7...(11) Peak 58 from nnoeabs.peaks (3.79, 7.59, 116.61 ppm; 3.96 A): 3 out of 4 assignments used, quality = 0.88: * HD3 PRO 19 + H VAL 20 OK 78 100 - 78 - 1.8/57=23, 3.8/4387=16...(18) HD2 PRO 84 + H VAL 20 OK 31 73 - 42 - 3831=6, 1478/4.9=5...(15) HA ALA 67 + H VAL 20 OK 19 98 - 19 - 1478/4.9=4, 1485/4.9=4...(7) HA2 GLY 40 - H VAL 20 poor 8 71 - 11 - 3.0/4791=5, ~4149=2, 1457/3.5=1 Peak 59 from nnoeabs.peaks (7.59, 7.12, 119.06 ppm; 3.18 A): 4 out of 4 assignments used, quality = 0.80: * H VAL 20 + H MET 21 OK 64 100 - 64 - 4.6=33, 4.0/3838=10...(11) H LYS 17 + H MET 21 OK 25 100 - 25 - 1486/3.5=4, 1501/4.3=4...(11) HD21 ASN 63 + H MET 21 OK 15 97 - 15 - 4428/3.0=2, 1486/3.5=2...(9) H LYS 44 + H MET 21 OK 13 78 - 17 - 4794/3.0=5, 4423/4.9=2...(7) Peak 60 from nnoeabs.peaks (3.38, 7.12, 119.06 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 20 + H MET 21 OK 100 100 - 100 - 3.5=100 HD2 PRO 81 - H MET 21 OK 42 100 - 42 - 1502/4.3=10, 1497/4.3=10...(8) Peak 61 from nnoeabs.peaks (1.94, 7.12, 119.06 ppm; 3.16 A): 6 out of 13 assignments used, quality = 0.89: * HB VAL 20 + H MET 21 OK 63 100 - 63 - 4.4=36, 2.1/3839=14...(9) HB3 GLU 22 + H MET 21 OK 34 100 - 34 - 4.0/959=9, 4.6/1027=7...(12) HB2 GLU 77 + H MET 21 OK 29 81 - 36 - 3.0/576=6, 4230/3.0=5...(15) HG2 PRO 19 + H MET 21 OK 16 78 - 21 - 4.9/958=7, 3.8/4141=4...(6) HB2 LEU 76 + H MET 21 OK 15 99 - 15 - 3228/4.3=2, 3.1/63=2...(6) HG3 PRO 81 + H MET 21 OK 14 87 - 16 - 2.3/60=5, 3496/3.5=5...(5) HB2 GLU 33 - H MET 21 lone 9 100 - 9 - 2049/4.0=1 HG3 PRO 84 - H MET 21 lone 7 97 - 8 - 568/4.6=1, 1488/3.5=1 HB2 GLN 58 - H MET 21 lone 7 76 - 9 - 3838=2, 4.6/959=1, 1492/3.5=1 QE MET 48 - H MET 21 lone 6 99 - 6 - 4869/4.3=2 HG3 GLU 49 - H MET 21 lone 3 97 - 4 - HD2 LYS 78 - H MET 21 lone 3 89 - 4 - HB VAL 47 - H MET 21 lone 2 99 - 2 - Peak 62 from nnoeabs.peaks (0.74, 7.12, 119.06 ppm; 3.38 A): 2 out of 6 assignments used, quality = 0.95: * QG1 VAL 20 + H MET 21 OK 80 100 - 80 - 4.3=50, 2.1/3838=19...(14) QG2 VAL 20 + H MET 21 OK 73 90 - 80 - 4.3=50, 2.1/3838=19...(14) QD1 LEU 79 - H MET 21 OK 22 98 - 23 - 5847/4.0=4, 4432/3.0=3...(10) QD1 LEU 12 - H MET 21 OK 12 100 - 12 - 1489/3.5=2, 569/4.6=2 HG2 LYS 26 - H MET 21 OK 10 100 - 10 - 1489/3.5=2, 4432/3.0=1 QD1 LEU 30 - H MET 21 lone 2 73 - 3 - Peak 63 from nnoeabs.peaks (0.73, 7.12, 119.06 ppm; 3.42 A): 2 out of 7 assignments used, quality = 0.95: * QG2 VAL 20 + H MET 21 OK 82 100 - 82 - 4.3=52, 2.1/3838=19...(14) QG1 VAL 20 + H MET 21 OK 74 90 - 81 - 4.3=52, 2.1/3838=19...(14) QD1 LEU 79 - H MET 21 OK 23 99 - 23 - 5847/4.0=4, 4432/3.0=3...(10) QD2 LEU 76 - H MET 21 OK 20 93 - 21 - 4432/3.0=3, 1490/3.5=3...(10) QD1 LEU 12 - H MET 21 OK 10 90 - 11 - 1489/3.5=2, 569/4.6=2 HG2 LYS 26 - H MET 21 poor 9 87 - 10 - 1489/3.5=2, 4432/3.0=1 HG3 LYS 64 - H MET 21 lone 3 73 - 4 - Peak 64 from nnoeabs.peaks (7.12, 8.23, 120.42 ppm; 3.14 A): 4 out of 9 assignments used, quality = 0.80: * H MET 21 + H GLU 22 OK 63 100 - 63 - 4.6=33, 574/4.6=8...(15) HD22 ASN 18 + H GLU 22 OK 26 100 - 26 - 1506/3.6=7, 1520/4.6=5...(7) H MET 21 + H ASP 88 OK 18 81 - 22 - 959=8, 3.0/3841=3...(8) H MET 21 + H LYS 56 OK 11 48 - 24 - 959=6, 574/4.7=3...(12) HD22 ASN 18 - H ASP 88 lone 4 81 - 5 - HD22 ASN 18 - H LYS 56 lone 4 48 - 8 - 4328/4.0=1 HD2 HIS 42 - H GLU 22 lone 1 65 - 1 - HD2 HIS 42 - H ASP 88 lone 0 46 - 1 - HD2 HIS 42 - H LYS 56 lone 0 25 - 1 - Peak 65 from nnoeabs.peaks (4.14, 8.23, 120.42 ppm; 3.85 A): 1 out of 12 assignments used, quality = 1.00: * HA MET 21 + H GLU 22 OK 100 100 - 100 - 3.6=100 HA ALA 74 - H GLU 22 OK 32 100 - 33 - 4448/3.0=6, 1026/4.6=5...(12) HA MET 21 - H ASP 88 OK 24 81 - 30 - 3841=6, 3.0/959=6...(8) HB THR 83 - H GLU 22 OK 17 83 - 21 - 2.1/5941=12, 4448/3.0=3...(5) HA MET 21 - H LYS 56 OK 14 48 - 30 - 1509/4.7=5, 3841=4...(10) HA ALA 74 - H ASP 88 OK 11 79 - 14 - 4228=2, 2.1/5732=2, 3.6/1087=2 HA ALA 74 - H LYS 56 poor 5 47 - 12 - ~5728=4 HB2 SER 62 - H GLU 22 lone 4 68 - 6 - 1.8/1024=2 HB THR 83 - H ASP 88 lone 4 60 - 6 - 2.1/5941=3 HB2 SER 62 - H ASP 88 lone 1 48 - 2 - HB THR 83 - H LYS 56 lone 1 34 - 2 - HB2 SER 62 - H LYS 56 lone 0 26 - 2 - Peak 66 from nnoeabs.peaks (2.06, 8.23, 120.42 ppm; 3.21 A): 4 out of 24 assignments used, quality = 0.96: HG2 GLU 22 + H GLU 22 OK 71 98 - 72 - 5.0=27, 1.8/583=19...(11) * HB2 MET 21 + H GLU 22 OK 63 100 - 63 - 4.6=33, 1.8/67=12...(12) QE MET 21 + H GLU 22 OK 43 100 - 43 - 1544/4.6=10, 3.4/3844=7...(9) HB3 GLU 77 + H GLU 22 OK 36 98 - 37 - 4232/3.6=6, 1.8/1560=6...(16) HA ALA 75 - H GLU 22 OK 19 99 - 19 - ~4163=3, 5756/3.6=3...(7) HG3 GLN 55 - H LYS 56 OK 18 34 - 55 - 4.7=33, 2602/3.6=10...(7) HB2 GLN 55 - H LYS 56 OK 17 32 - 52 - 4.6=33, 3.0/3986=11...(5) HB2 MET 21 - H ASP 88 OK 16 81 - 20 - 1.8/3843=4, 3842=3...(7) HG2 GLU 22 - H ASP 88 OK 14 76 - 19 - 1.8/583=4, 1566=3...(6) HG3 GLN 55 - H GLU 22 OK 14 83 - 17 - 1.8/67=4, 3.8/4446=2...(5) HB2 GLN 55 - H GLU 22 OK 13 81 - 16 - 3.0/4446=3, 2.9/67=3...(6) QE MET 21 - H ASP 88 OK 12 81 - 15 - 3.4/3844=3, 3.4/3845=2...(8) HG3 GLU 33 - H GLU 22 OK 11 100 - 11 - 2064/4.0=2, 1558/4.0=2 QE MET 21 - H LYS 56 OK 10 47 - 21 - 1544/4.7=4, 4444/5.8=2...(11) HB2 MET 21 - H LYS 56 poor 10 48 - 21 - 1.8/3843=3, 1516/4.7=2...(10) HB3 GLU 77 - H ASP 88 poor 9 76 - 12 - 3269=2, 4.1/363=2...(6) HA ALA 75 - H ASP 88 lone 8 79 - 10 - 5746/4.6=2, 3.6/1008=1 HA ALA 75 - H LYS 56 poor 7 46 - 14 - 5746=2, 2.1/5744=2...(4) HG3 GLU 33 - H LYS 56 poor 5 47 - 11 - 3915/4.6=3, 2063/3.0=1 HG2 GLU 22 - H LYS 56 poor 4 44 - 10 - 1.8/583=1, 1566=1...(5) HG3 GLN 55 - H ASP 88 lone 3 60 - 6 - HB2 GLN 55 - H ASP 88 lone 3 58 - 5 - HB3 GLU 77 - H LYS 56 lone 3 44 - 6 - 4.1/1010=1 HG3 GLU 33 - H ASP 88 lone 2 81 - 2 - Peak 67 from nnoeabs.peaks (2.15, 8.23, 120.42 ppm; 3.47 A): 6 out of 9 assignments used, quality = 0.88: * HB3 MET 21 + H GLU 22 OK 69 100 - 69 - 4.6=42, 1.8/3842=13...(9) HG2 GLN 55 + H LYS 56 OK 23 38 - 60 - 4.7=42, 3.8/3986=10...(8) HG2 GLN 55 + H GLU 22 OK 21 90 - 23 - 1509/3.6=6, 574/4.6=4...(8) HB3 MET 21 + H ASP 88 OK 18 81 - 22 - 3843=5, 1.8/3842=4...(7) HB3 MET 21 + H LYS 56 OK 14 48 - 30 - 3843=4, 2573/3.6=4...(12) HB VAL 52 + H LYS 56 OK 11 42 - 26 - 2593/4.6=6, 2573/3.6=6...(7) HB VAL 52 - H GLU 22 lone 7 96 - 8 - 1509/3.6=2, 574/4.6=2 HG2 GLN 55 - H ASP 88 lone 5 67 - 7 - HB VAL 52 - H ASP 88 lone 3 73 - 4 - Peak 68 from nnoeabs.peaks (2.63, 8.23, 120.42 ppm; 6.20 A): 2 out of 6 assignments used, quality = 0.95: * HG2 MET 21 + H GLU 22 OK 92 100 - 92 - 1510/3.6=37, 575/4.6=35...(13) HG2 MET 21 + H ASP 88 OK 37 81 - 46 - 1.8/3845=9, 3844=8...(7) HE2 LYS 44 - H GLU 22 OK 32 90 - 36 - 1510/3.6=10, 575/4.6=8...(7) HG2 MET 21 - H LYS 56 OK 24 48 - 51 - 1530/4.7=11, 2.9/3843=7...(10) HE2 LYS 44 - H LYS 56 OK 14 38 - 37 - 2320/4.0=8, 2323/4.7=7...(8) HE2 LYS 44 - H ASP 88 poor 7 67 - 10 - Peak 69 from nnoeabs.peaks (2.46, 8.23, 120.42 ppm; 6.20 A): 3 out of 12 assignments used, quality = 0.99: * HG3 MET 21 + H GLU 22 OK 90 100 - 90 - 1535/3.6=33, 2.9/3843=25...(14) HG3 GLU 77 + H GLU 22 OK 81 100 - 81 - 5798/3.6=16, 576/4.6=13...(24) HG3 GLU 25 + H GLU 22 OK 71 96 - 74 - ~4165=14, ~1553=11...(19) HG3 MET 21 - H ASP 88 OK 37 81 - 46 - 3845=9, 1.8/3844=8...(8) HG3 GLU 77 - H ASP 88 OK 27 81 - 34 - 4.9/363=4, 3281=3...(12) HG3 MET 21 - H LYS 56 OK 24 48 - 51 - 1537/4.7=11, 2.9/3843=7...(10) HB3 ASP 43 - H GLU 22 OK 14 83 - 17 - 4.2/1023=4, 4792/4.6=3...(5) HG3 GLU 25 - H ASP 88 OK 10 73 - 14 - 4491/1025=1 HG3 GLU 77 - H LYS 56 poor 8 48 - 17 - 4.9/1010=4 HB3 ASP 43 - H ASP 88 lone 4 60 - 7 - HG3 GLU 25 - H LYS 56 lone 3 42 - 8 - HB3 ASP 43 - H LYS 56 lone 2 34 - 5 - Peak 70 from nnoeabs.peaks (2.06, 8.23, 120.42 ppm; 3.21 A): 4 out of 24 assignments used, quality = 0.96: HG2 GLU 22 + H GLU 22 OK 69 97 - 72 - 5.0=27, 1.8/583=19...(11) HB2 MET 21 + H GLU 22 OK 63 100 - 63 - 4.6=33, 1.8/67=12...(12) * QE MET 21 + H GLU 22 OK 43 100 - 43 - 1544/4.6=10, 3.4/3844=7...(9) HB3 GLU 77 + H GLU 22 OK 35 97 - 36 - 4232/3.6=6, 1.8/1560=6...(16) HG3 GLN 55 - H LYS 56 OK 20 36 - 55 - 4.7=33, 2602/3.6=11...(7) HA ALA 75 - H GLU 22 OK 19 100 - 19 - ~4163=3, 5756/3.6=3...(7) HB2 GLN 55 - H LYS 56 OK 18 35 - 53 - 4.6=33, 3.0/3986=11...(5) HB2 MET 21 - H ASP 88 OK 16 81 - 20 - 1.8/3843=4, 3842=3...(7) HG3 GLN 55 - H GLU 22 OK 15 87 - 17 - 1.8/67=4, 2605/4.6=3...(5) HB2 GLN 55 - H GLU 22 OK 14 85 - 17 - 3.0/4446=3, 2.9/67=3...(6) HG2 GLU 22 - H ASP 88 OK 14 74 - 19 - 1.8/583=4, 1566=3...(6) QE MET 21 - H ASP 88 OK 12 81 - 15 - 3.4/3844=3, 3.4/3845=2...(8) HG3 GLU 33 - H GLU 22 OK 11 100 - 11 - 2064/4.0=2, 1558/4.0=1 QE MET 21 - H LYS 56 OK 10 48 - 21 - 1544/4.7=4, 4444/5.8=2...(11) HB2 MET 21 - H LYS 56 poor 10 47 - 21 - 1.8/3843=3, 1516/4.7=2...(11) HB3 GLU 77 - H ASP 88 poor 9 74 - 12 - 3269=2, 4.1/363=2...(6) HA ALA 75 - H ASP 88 lone 8 80 - 10 - 5746/4.6=2, 3.6/1008=1 HA ALA 75 - H LYS 56 poor 7 47 - 14 - 5746=2, 2.1/5744=2...(5) HG3 GLU 33 - H LYS 56 poor 5 47 - 11 - 3915/4.6=3, 2063/3.0=1 HG2 GLU 22 - H LYS 56 poor 4 43 - 10 - 1.8/583=1, 1566=1...(5) HG3 GLN 55 - H ASP 88 lone 4 64 - 6 - HB2 GLN 55 - H ASP 88 lone 3 62 - 5 - HB3 GLU 77 - H LYS 56 lone 2 43 - 6 - 4.1/1010=1 HG3 GLU 33 - H ASP 88 lone 2 80 - 2 - Peak 71 from nnoeabs.peaks (8.23, 8.38, 119.18 ppm; 3.46 A): 4 out of 6 assignments used, quality = 0.86: * H GLU 22 + H LEU 23 OK 77 100 - 77 - 4.6=42, 3.0/72=16...(13) H ASP 88 + H LEU 23 OK 25 89 - 28 - 960=7, 1548/3.6=3...(11) HE21 GLN 58 + H LEU 23 OK 12 87 - 14 - 1548/3.6=2, 1554/4.6=2...(5) H ALA 86 + H LEU 23 OK 11 89 - 13 - 1548/3.6=1, 1554/4.6=1...(4) H LYS 56 - H LEU 23 poor 9 60 - 16 - 960=2, 1548/3.6=1, 4.0/4467=1 H VAL 66 - H LEU 23 poor 6 60 - 11 - 1554/4.6=1 Peak 72 from nnoeabs.peaks (3.89, 8.38, 119.18 ppm; 3.51 A): 1 out of 5 assignments used, quality = 0.98: * HA GLU 22 + H LEU 23 OK 98 100 - 98 - 3.6=96, 3.0/71=15...(12) HA GLU 77 - H LEU 23 OK 27 85 - 32 - 1555/4.6=4, 1567/5.0=4...(12) HA LEU 73 - H LEU 23 OK 26 76 - 35 - 3.9/590=4, 3.7/588=3...(16) HA ALA 69 - H LEU 23 OK 11 81 - 13 - 6190/4486=2, 4390/4149=2...(4) HA3 GLY 29 - H LEU 23 lone 4 85 - 4 - Peak 73 from nnoeabs.peaks (1.84, 8.38, 119.18 ppm; 3.46 A): 6 out of 11 assignments used, quality = 0.89: * HB2 GLU 22 + H LEU 23 OK 74 100 - 74 - 4.6=42, 3.0/72=16...(9) HB2 GLU 49 + H LEU 23 OK 20 100 - 20 - 1.8/586=4, 3.0/586=3...(10) HG3 PRO 19 + H LEU 23 OK 19 71 - 26 - 3.8/4147=8, 4.9/4486=5...(5) HG2 PRO 81 + H LEU 23 OK 16 87 - 19 - 2.3/1028=7, 3489/4149=2...(5) HB3 PRO 84 + H LEU 23 OK 11 96 - 11 - 1550/3.6=2, 2.3/586=1, 2.3/74=1 HB3 LYS 78 + H LEU 23 OK 11 63 - 17 - 1.8/586=3, 2.8/4467=2...(4) HB VAL 66 - H LEU 23 lone 9 100 - 9 - 1550/3.6=1, 1574/5.0=1 HB3 GLU 33 - H LEU 23 lone 6 63 - 10 - 1.8/74=1, 3.0/75=1...(5) HB3 GLU 37 - H LEU 23 lone 5 85 - 6 - 4.4/976=1 HB2 GLU 37 - H LEU 23 lone 4 65 - 6 - 4.4/976=1 HB2 LYS 44 - H LEU 23 lone 2 63 - 4 - Peak 74 from nnoeabs.peaks (1.94, 8.38, 119.18 ppm; 3.38 A): 4 out of 15 assignments used, quality = 0.95: * HB3 GLU 22 + H LEU 23 OK 73 100 - 73 - 4.6=39, 1.8/3848=17...(7) HB2 LEU 76 + H LEU 23 OK 51 100 - 51 - 3.1/5782=10, 1.8/4467=8...(15) HB VAL 20 + H LEU 23 OK 44 100 - 44 - 3.0/4149=14, 4.4/1027=9...(12) HB2 GLU 77 + H LEU 23 OK 26 90 - 29 - 3849=4, 1.8/75=4...(8) HG2 PRO 19 - H LEU 23 OK 23 89 - 26 - 3.8/4147=8, 4.9/4486=5...(5) HG3 GLU 49 - H LEU 23 OK 15 90 - 16 - 1.8/586=4, 3.0/73=3...(4) HG3 PRO 81 - H LEU 23 OK 13 76 - 17 - 2.3/1028=7, 1.8/73=3 HB2 GLU 33 - H LEU 23 OK 12 100 - 12 - 2049/5.0=2, 1551/3.6=1...(6) HG3 PRO 84 - H LEU 23 OK 11 99 - 11 - 2.3/73=2, 1.8/586=1 HD2 LYS 78 - H LEU 23 OK 11 78 - 14 - 2.9/4467=2, 3.7/586=2...(4) HB3 PRO 81 - H LEU 23 poor 10 65 - 15 - 3.0/1028=6, 2.3/73=3 QE MET 48 - H LEU 23 lone 8 96 - 8 - 4868/4.8=2, 4869/5782=1 HB2 GLN 58 - H LEU 23 lone 6 87 - 6 - 4.6/71=1 HB VAL 47 - H LEU 23 lone 3 96 - 3 - HB2 GLU 51 - H LEU 23 lone 1 71 - 2 - Peak 75 from nnoeabs.peaks (2.07, 8.38, 119.18 ppm; 3.41 A): 7 out of 8 assignments used, quality = 0.93: * HG2 GLU 22 + H LEU 23 OK 68 100 - 68 - 5.0=32, 1.8/76=19...(7) HB2 MET 21 + H LEU 23 OK 31 98 - 32 - 4.0/1027=10, 4.6/71=8...(6) HA ALA 75 + H LEU 23 OK 27 92 - 29 - 2.9/1030=6, 1552/3.6=2...(12) HB3 GLU 77 + H LEU 23 OK 25 100 - 25 - 3270/3.6=4, 1.8/3849=4...(8) QE MET 21 + H LEU 23 OK 21 97 - 22 - 6.1/1027=5, 5.3/4155=5...(5) HB3 GLU 25 + H LEU 23 OK 18 63 - 29 - 4.1/1036=9, 3.0/1029=7...(6) HG3 GLU 33 + H LEU 23 OK 10 99 - 10 - 1552/3.6=1, 1558/4.6=1...(5) HG3 GLN 55 - H LEU 23 lone 4 60 - 6 - 2.9/586=1, 4.7/71=1 Peak 76 from nnoeabs.peaks (2.12, 8.38, 119.18 ppm; 4.05 A): 2 out of 2 assignments used, quality = 0.90: * HG3 GLU 22 + H LEU 23 OK 84 100 - 84 - 5.0=53, 1553/3.6=23...(9) HB3 GLU 25 + H LEU 23 OK 37 76 - 49 - 4.1/1036=14, 1553/3.6=10...(9) Peak 77 from nnoeabs.peaks (8.38, 7.74, 116.98 ppm; 3.27 A): 3 out of 4 assignments used, quality = 0.80: * H LEU 23 + H ASN 24 OK 72 100 - 72 - 961=40, 3.6/4162=10...(14) H ASN 90 + H ASN 24 OK 18 99 - 19 - 1018=2, 1578/3.6=2...(8) H GLY 39 + H ASN 24 OK 13 99 - 13 - 1578/3.6=2, 1592/4.6=2...(7) H GLY 40 - H ASN 24 lone 10 99 - 10 - 1592/4.6=1, 1578/3.6=1...(5) Peak 78 from nnoeabs.peaks (3.93, 7.74, 116.98 ppm; 3.88 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 23 + H ASN 24 OK 100 100 - 100 - 3.6=100 HA LEU 76 + H ASN 24 OK 47 98 - 48 - 4.0/5785=14, 3.6/4492=6...(11) HA LEU 73 - H ASN 24 OK 33 85 - 39 - 3852=7, 1614/5.0=5...(11) HA ALA 72 - H ASN 24 OK 14 57 - 25 - 2.1/4490=4, 4216/4.6=3...(11) Peak 79 from nnoeabs.peaks (2.02, 7.74, 116.98 ppm; 3.55 A): 4 out of 10 assignments used, quality = 0.87: * HB2 LEU 23 + H ASN 24 OK 75 100 - 76 - 4.6=47, 3.9/961=19...(9) HB2 GLU 25 + H ASN 24 OK 33 76 - 43 - 4.1/84=20, 4.6/4488=14...(8) HB3 GLU 49 + H ASN 24 OK 13 100 - 13 - 1594/4.6=2, 586/4.6=2...(6) HG2 GLU 49 + H ASN 24 OK 12 100 - 12 - 4975/4.6=2, 586/4.6=2...(6) HE3 LYS 68 - H ASN 24 poor 8 60 - 14 - 3.7/83=2, 3853=1...(4) HB2 LYS 78 - H ASN 24 poor 8 78 - 10 - 1615/5.0=2, 1594/4.6=2...(5) HB2 GLN 55 - H ASN 24 lone 6 81 - 8 - 4.6/1032=1 HG3 GLN 55 - H ASN 24 lone 6 78 - 8 - 4.7/1032=1 HB2 LEU 34 - H ASN 24 lone 4 81 - 5 - HG2 PRO 84 - H ASN 24 lone 3 83 - 4 - Peak 80 from nnoeabs.peaks (1.26, 7.74, 116.98 ppm; 3.95 A): 2 out of 7 assignments used, quality = 0.92: * HB3 LEU 23 + H ASN 24 OK 86 100 - 86 - 4.6=64, 3.9/961=24...(8) HB2 LEU 79 + H ASN 24 OK 38 99 - 38 - 1616/5.0=6, 1581/3.6=5...(11) HG3 LYS 17 - H ASN 24 OK 18 97 - 19 - 1581/3.6=2, 1588/4.6=2...(11) HG2 LYS 17 - H ASN 24 OK 14 81 - 17 - 3.0/4490=2, 3.0/4490=2...(9) HG3 LYS 65 - H ASN 24 OK 14 100 - 13 - 1581/3.6=2, 1588/4.6=2...(6) HG3 LYS 56 - H ASN 24 OK 11 83 - 13 - 2.9/4490=1, 4.7/1032=1...(6) HG13 ILE 35 - H ASN 24 lone 2 57 - 4 - Peak 81 from nnoeabs.peaks (1.61, 7.74, 116.98 ppm; 4.58 A): 6 out of 12 assignments used, quality = 0.94: * HG LEU 23 + H ASN 24 OK 70 100 - 70 - 5.1/961=22, 2.1/83=20...(6) HG LEU 73 + H ASN 24 OK 36 99 - 37 - 2.1/83=7, 3.7/3852=7...(8) HB2 LEU 12 + H ASN 24 OK 25 96 - 27 - 3.1/4489=4, 1167/2.9=3...(11) HB2 LYS 68 + H ASN 24 OK 25 99 - 25 - 3038/5.0=4, 2.9/83=3...(9) HG LEU 87 + H ASN 24 OK 25 100 - 25 - 2.1/82=4, 4.9/1032=4...(9) HB2 LEU 87 + H ASN 24 OK 23 96 - 24 - 4.2/1032=5, 3.1/82=4...(9) HG LEU 85 - H ASN 24 OK 20 99 - 20 - 2.1/82=3, 1596/4.6=2...(8) HB3 LEU 85 - H ASN 24 OK 16 83 - 19 - 3.1/82=3, 1.8/4490=3...(9) HD3 LYS 91 - H ASN 24 poor 8 68 - 11 - 3.7/3707=2, 3.7/3717=2 HD2 LYS 91 - H ASN 24 poor 8 65 - 11 - 3.7/3707=2, 3.7/3717=2 HD2 LYS 14 - H ASN 24 lone 4 65 - 6 - 3.0/593=1, 3.0/593=1 HD3 LYS 14 - H ASN 24 lone 4 63 - 6 - 3.0/593=1, 3.0/593=1 Peak 82 from nnoeabs.peaks (0.91, 7.74, 116.98 ppm; 4.10 A): 3 out of 6 assignments used, quality = 0.94: * QD2 LEU 23 + H ASN 24 OK 86 100 - 86 - 5.0=56, 4.8/961=19...(11) HD3 LYS 26 + H ASN 24 OK 40 92 - 43 - 5.8/4488=14, 4525/3.6=6...(11) HB3 LEU 30 + H ASN 24 OK 28 92 - 30 - 3.1/83=4, 1597/4.6=4...(10) QD1 LEU 87 - H ASN 24 OK 20 83 - 24 - 4.8/1032=3, 2.1/81=3...(10) QD1 LEU 85 - H ASN 24 OK 14 76 - 18 - 1597/4.6=2, 2.1/81=2...(8) QG2 VAL 52 - H ASN 24 lone 4 68 - 6 - Peak 83 from nnoeabs.peaks (0.79, 7.74, 116.98 ppm; 3.88 A): 5 out of 5 assignments used, quality = 0.94: * QD1 LEU 23 + H ASN 24 OK 80 100 - 80 - 5.0=47, 4.8/961=17...(8) QD2 LEU 79 + H ASN 24 OK 31 100 - 31 - 3.1/80=6, 3414/4.6=5...(9) QD1 LEU 73 + H ASN 24 OK 31 96 - 32 - 3190/3.6=6, 3.9/3852=5...(8) QD1 LEU 30 + H ASN 24 OK 25 87 - 28 - 6078/4.6=5, 6032/3.6=5...(9) HG3 LYS 68 + H ASN 24 OK 14 92 - 16 - 1598/4.6=2, 2.9/81=2...(7) Peak 84 from nnoeabs.peaks (7.74, 7.36, 115.27 ppm; 3.28 A): 1 out of 2 assignments used, quality = 0.70: * H ASN 24 + H GLU 25 OK 70 100 - 70 - 4.6=35, 4488/4.6=12...(13) H LYS 91 - H GLU 25 lone 5 68 - 7 - 4.6/1036=1, 1620/3.6=1 Peak 85 from nnoeabs.peaks (4.63, 7.36, 115.27 ppm; 4.13 A): 1 out of 11 assignments used, quality = 1.00: * HA ASN 24 + H GLU 25 OK 100 100 - 100 - 3.6=100 HA ARG 27 - H GLU 25 OK 41 97 - 42 - 3.0/4487=22, ~4512=10...(7) HA ASN 63 - H GLU 25 OK 36 100 - 37 - 3.0/86=8, 2801/4.6=7...(9) HA GLU 33 - H GLU 25 lone 9 100 - 9 - 4.2/601=1, 2042/5.0=1 HA LEU 12 - H GLU 25 lone 7 83 - 8 - 1627/4.6=2, 592/4.6=1 HA THR 38 - H GLU 25 lone 7 92 - 7 - 3.6/1036=2 HA PHE 57 - H GLU 25 lone 5 71 - 7 - 3.0/5241=3, ~5264=1 HA ASP 82 - H GLU 25 lone 4 97 - 4 - HA ASP 43 - H GLU 25 lone 4 78 - 5 - 3.0/602=1 HA LYS 31 - H GLU 25 lone 3 57 - 5 - 614/4487=1 HA HIS 42 - H GLU 25 lone 3 100 - 3 - Peak 86 from nnoeabs.peaks (2.92, 7.36, 115.27 ppm; 3.64 A): 3 out of 6 assignments used, quality = 0.82: * HB2 ASN 24 + H GLU 25 OK 71 100 - 71 - 4.6=49, 3.7/84=24...(5) HB2 ASN 63 + H GLU 25 OK 29 99 - 29 - 1622/3.6=7, 1.8/87=6...(7) HB3 PHE 80 + H GLU 25 OK 13 96 - 14 - 1622/3.6=3, 4505/3.0=2...(5) HE2 LYS 14 - H GLU 25 lone 5 98 - 5 - HE3 LYS 14 - H GLU 25 lone 5 96 - 5 - HB2 ASP 53 - H GLU 25 lone 3 71 - 4 - Peak 87 from nnoeabs.peaks (2.86, 7.36, 115.27 ppm; 3.80 A): 4 out of 10 assignments used, quality = 0.89: * HB3 ASN 24 + H GLU 25 OK 78 100 - 78 - 4.6=56, 3.7/84=26...(6) HB3 ASN 63 + H GLU 25 OK 31 100 - 32 - 1.8/86=9, 2812/3.6=7...(7) HB2 ASN 18 + H GLU 25 OK 16 100 - 16 - 3860=3, 1.8/3860=3...(6) HB3 ASN 18 + H GLU 25 OK 16 100 - 16 - 3860=3, 1.8/3860=3...(6) HE3 LYS 17 - H GLU 25 lone 6 100 - 6 - 3.9/4502=1 HB3 TYR 32 - H GLU 25 lone 6 100 - 6 - 1623/3.6=1 HE2 LYS 17 - H GLU 25 lone 6 97 - 6 - 3.9/4502=1 HB2 ASN 90 - H GLU 25 lone 5 71 - 7 - 4.0/1036=2, 4.6/84=1 HE2 LYS 65 - H GLU 25 lone 2 73 - 2 - HE3 LYS 65 - H GLU 25 lone 1 63 - 2 - Peak 90 from nnoeabs.peaks (7.36, 7.27, 116.25 ppm; 3.07 A): 2 out of 3 assignments used, quality = 0.82: * H GLU 25 + H LYS 26 OK 76 100 - 76 - 963=50, 4.1/3862=12...(13) H ALA 75 + H LYS 26 OK 25 100 - 26 - 1638/3.6=6, 1644/4.6=4...(9) QE PHE 46 - H LYS 26 lone 6 81 - 7 - 4638/4.9=1 Peak 91 from nnoeabs.peaks (3.97, 7.27, 116.25 ppm; 3.63 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 25 + H LYS 26 OK 100 100 - 100 - 3.6=100 HA ALA 72 - H LYS 26 OK 24 97 - 25 - 4216/4.6=5, 1645/4.6=3...(11) HA ALA 71 - H LYS 26 OK 24 99 - 24 - 4214/4.6=4, 3.0/964=3...(12) HA PRO 19 - H LYS 26 OK 17 92 - 19 - 2.3/92=3, 2.3/92=2...(9) HB3 SER 62 - H LYS 26 lone 6 89 - 7 - 1.8/604=2, 2797/3.0=1 HA3 GLY 16 - H LYS 26 lone 5 100 - 5 - Peak 92 from nnoeabs.peaks (1.99, 7.27, 116.25 ppm; 3.82 A): 3 out of 12 assignments used, quality = 0.93: * HB2 GLU 25 + H LYS 26 OK 84 100 - 84 - 4.6=56, 4.1/963=26...(9) HE3 LYS 68 + H LYS 26 OK 36 99 - 36 - 1.8/94=6, 3.0/608=4...(16) HB2 LEU 23 + H LYS 26 OK 36 76 - 48 - 3.0/6156=19, 4.6/4488=17...(8) HB3 PRO 19 - H LYS 26 OK 20 98 - 20 - 2.3/91=3, 1640/3.6=3...(6) HB2 PRO 19 - H LYS 26 OK 18 95 - 19 - 2.3/91=3, 1640/3.6=3...(6) HB2 LEU 34 - H LYS 26 OK 16 100 - 16 - 3.1/608=3, 3.0/606=2...(6) HB2 LYS 78 - H LYS 26 lone 9 100 - 9 - 1640/3.6=2, 599/4.6=1 HG2 PRO 84 - H LYS 26 lone 6 100 - 6 - ~5952=1 HB3 GLU 49 - H LYS 26 lone 4 71 - 5 - HG2 GLU 49 - H LYS 26 lone 4 76 - 5 - HB3 PRO 81 - H LYS 26 lone 2 76 - 3 - HB2 GLU 51 - H LYS 26 lone 2 71 - 3 - Peak 93 from nnoeabs.peaks (2.10, 7.27, 116.25 ppm; 3.70 A): 4 out of 4 assignments used, quality = 0.90: * HB3 GLU 25 + H LYS 26 OK 82 100 - 82 - 4.6=51, 1.8/3862=29...(10) HB3 GLU 77 + H LYS 26 OK 22 63 - 36 - 3863=7, 3.0/95=6...(8) HG3 GLU 22 + H LYS 26 OK 16 76 - 21 - 1641/3.6=4, 6161/4.9=3...(10) HG2 GLU 22 + H LYS 26 OK 11 63 - 18 - 4456/3.6=3, 600/4.6=3...(10) Peak 94 from nnoeabs.peaks (2.22, 7.27, 116.25 ppm; 4.69 A): 3 out of 4 assignments used, quality = 0.99: * HG2 GLU 25 + H LYS 26 OK 97 100 - 97 - 4.9=86, 3.0/3862=36...(9) HG2 GLU 77 + H LYS 26 OK 61 100 - 61 - 1642/3.6=15, 3864=12...(10) HE2 LYS 68 + H LYS 26 OK 49 98 - 50 - 1.8/92=7, 3096/4.0=6...(17) HG2 GLU 33 - H LYS 26 OK 15 100 - 14 - 4.2/4518=2, 601/4.6=2...(4) Peak 95 from nnoeabs.peaks (2.44, 7.27, 116.25 ppm; 4.81 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 25 + H LYS 26 OK 99 100 - 99 - 4.9=93, 3.0/3862=37...(11) HG3 GLU 77 + H LYS 26 OK 59 95 - 62 - 1643/3.6=14, 1649/4.6=12...(11) HG3 MET 21 - H LYS 26 OK 18 96 - 18 - 602/4.6=4, 4491/4488=4...(7) HB3 ASP 43 - H LYS 26 lone 7 99 - 6 - 602/4.6=1 Peak 96 from nnoeabs.peaks (7.27, 8.16, 120.88 ppm; 2.85 A): 1 out of 1 assignment used, quality = 0.66: * H LYS 26 + H ARG 27 OK 66 100 - 66 - 964=43, 1688/4.3=10...(12) Peak 97 from nnoeabs.peaks (4.10, 8.16, 120.88 ppm; 3.72 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 26 + H ARG 27 OK 100 100 - 100 - 3.6=100 HA LYS 14 - H ARG 27 OK 15 100 - 16 - 1679/4.3=4, 1689/4.3=4...(4) HA LYS 91 - H ARG 27 OK 12 100 - 12 - 1679/4.3=2, 1689/4.3=2...(4) HB THR 83 - H ARG 27 poor 8 81 - 10 - 1679/4.3=2, 1689/4.3=2...(4) HB2 SER 62 - H ARG 27 lone 7 92 - 8 - 5390/4.3=3, 1679/4.3=1 HA3 GLY 61 - H ARG 27 lone 2 63 - 3 - Peak 98 from nnoeabs.peaks (1.31, 8.16, 120.88 ppm; 3.75 A): 2 out of 8 assignments used, quality = 0.94: * HB2 LYS 26 + H ARG 27 OK 88 100 - 88 - 4.3=66, 4.0/96=27...(9) HG3 LYS 31 + H ARG 27 OK 50 98 - 52 - 1.8/617=9, 1959/3.0=6...(21) HB3 LYS 68 - H ARG 27 OK 17 90 - 19 - 1670/3.6=4, 1690/4.3=4...(6) HD3 LYS 44 - H ARG 27 OK 17 87 - 20 - 1.8/617=4, 1670/3.6=3...(7) HB VAL 50 - H ARG 27 OK 10 90 - 12 - 1690/4.3=2, 1670/3.6=2 HG3 ARG 45 - H ARG 27 lone 7 98 - 7 - 1690/4.3=2, 1670/3.6=2 HG3 LYS 56 - H ARG 27 poor 7 60 - 12 - 3.0/617=2, 3.0/618=1, 2.9/99=1 QB ALA 60 - H ARG 27 lone 7 100 - 7 - 1670/3.6=1, 1690/4.3=1 Peak 99 from nnoeabs.peaks (1.52, 8.16, 120.88 ppm; 3.22 A): 3 out of 16 assignments used, quality = 0.93: * HB3 LYS 26 + H ARG 27 OK 72 100 - 72 - 4.3=42, 4.0/96=20...(11) HG3 ARG 27 + H ARG 27 OK 64 100 - 64 - 4.9=29, 1.8/617=9...(14) QB ALA 71 + H ARG 27 OK 32 100 - 32 - 2.1/4555=5, 3.7/965=4...(14) HG LEU 30 - H ARG 27 OK 25 78 - 32 - 2.1/100=6, 2.1/102=4...(14) HG LEU 34 - H ARG 27 OK 19 100 - 19 - 2.1/101=3, 3.0/617=2...(7) QB ALA 72 - H ARG 27 OK 17 71 - 24 - 2.9/965=5, 2.1/4555=4...(7) HD2 LYS 56 - H ARG 27 OK 12 93 - 13 - 1.8/617=1, 1779/4.0=1 HB2 LYS 56 - H ARG 27 OK 12 89 - 13 - 3.4/617=1, 1779/4.0=1 HB3 LEU 87 - H ARG 27 poor 10 93 - 10 - 3.1/103=2, 3.1/102=1...(4) HB2 LEU 85 - H ARG 27 lone 9 100 - 9 - 3.1/103=1, 1671/3.6=1...(4) HB3 LYS 44 - H ARG 27 poor 9 76 - 12 - 3.7/617=2, 3.7/98=1...(5) HD3 LYS 17 - H ARG 27 lone 7 98 - 7 - HD2 LYS 17 - H ARG 27 lone 7 98 - 7 - HG2 GLU 37 - H ARG 27 lone 5 90 - 5 - HD3 LYS 64 - H ARG 27 lone 5 99 - 5 - HB2 ARG 45 - H ARG 27 lone 4 98 - 4 - Peak 100 from nnoeabs.peaks (0.75, 8.16, 120.88 ppm; 3.66 A): 7 out of 7 assignments used, quality = 0.92: * HG2 LYS 26 + H ARG 27 OK 69 100 - 69 - 2.9/3868=19, 4.9/96=18...(14) QD1 LEU 30 + H ARG 27 OK 39 78 - 50 - 2.1/102=6, 4543/4.0=6...(19) QG1 VAL 20 + H ARG 27 OK 22 100 - 22 - 4397/4.3=4, 1672/3.6=3...(7) QD1 LEU 73 + H ARG 27 OK 18 63 - 29 - 2.1/102=3, 4543/4.0=3...(13) QD1 LEU 12 + H ARG 27 OK 13 100 - 13 - 1188/3.0=1, 1672/3.6=1...(5) QG2 VAL 20 + H ARG 27 OK 13 87 - 14 - 1672/3.6=2, 1692/4.3=2...(5) QD1 LEU 79 + H ARG 27 OK 11 97 - 11 - 1682/4.3=2, 1692/4.3=1...(4) Peak 101 from nnoeabs.peaks (1.21, 8.16, 120.88 ppm; 4.25 A): 7 out of 8 assignments used, quality = 0.94: * HG3 LYS 26 + H ARG 27 OK 78 100 - 78 - 4.9/96=26, 2.9/3868=25...(11) QD1 LEU 34 + H ARG 27 OK 27 97 - 28 - 3.1/617=4, 1673/3.6=3...(11) HG2 LYS 14 + H ARG 27 OK 24 100 - 24 - 1708/4.6=5, 3870=5...(6) HD2 LYS 68 + H ARG 27 OK 18 83 - 22 - 1673/3.6=4, 1683/4.3=4...(6) HD3 LYS 68 + H ARG 27 OK 17 81 - 22 - 1673/3.6=4, 1683/4.3=4...(6) HG3 LYS 44 + H ARG 27 OK 15 63 - 24 - 3.0/617=4, 3.0/98=3...(9) QG2 THR 83 + H ARG 27 OK 13 99 - 14 - 3520/3.6=3, 2.1/97=2...(5) HG13 ILE 35 - H ARG 27 lone 4 73 - 6 - Peak 102 from nnoeabs.peaks (0.85, 8.16, 120.88 ppm; 4.19 A): 4 out of 9 assignments used, quality = 0.92: * HD2 LYS 26 + H ARG 27 OK 71 100 - 71 - 3.6/3868=22, 5.8/96=18...(10) QD2 LEU 30 + H ARG 27 OK 50 85 - 59 - 2.1/100=9, 4595/7.2=8...(19) QD2 LEU 73 + H ARG 27 OK 29 97 - 29 - 2.1/100=4, 1674/3.6=3...(13) QB ALA 75 + H ARG 27 OK 25 85 - 29 - 6108/4.3=4, 5745/4.6=4...(13) QD2 LEU 87 - H ARG 27 OK 20 99 - 20 - 1674/3.6=4, 2.1/103=3...(6) QD2 LEU 85 - H ARG 27 OK 16 95 - 17 - 1674/3.6=3, 2.1/103=3...(6) QG2 VAL 47 - H ARG 27 OK 14 98 - 14 - 4835/4.3=3, 1674/3.6=3...(5) QG1 VAL 47 - H ARG 27 lone 5 63 - 8 - 1684/4.3=1, 1694/4.3=1 QG2 ILE 35 - H ARG 27 lone 5 68 - 7 - 4739/620=1, 4739/5.9=1 Peak 103 from nnoeabs.peaks (0.90, 8.16, 120.88 ppm; 4.05 A): 4 out of 8 assignments used, quality = 0.93: * HD3 LYS 26 + H ARG 27 OK 71 100 - 71 - 3.6/3868=20, 5.8/96=17...(12) HB3 LEU 30 + H ARG 27 OK 53 100 - 53 - 3.1/100=7, 4545/4.0=6...(17) QD2 LEU 30 + H ARG 27 OK 30 60 - 50 - 2.1/100=8, 4545/4.0=7...(18) QD1 LEU 87 + H ARG 27 OK 22 100 - 22 - 1675/3.6=3, 2.1/102=3...(9) QD2 LEU 23 - H ARG 27 OK 21 92 - 23 - 610/4.6=3, 1675/3.6=2...(11) QD1 LEU 85 - H ARG 27 OK 19 99 - 20 - 1675/3.6=3, 1685/4.3=2...(8) QD1 LEU 76 - H ARG 27 OK 18 89 - 20 - 4.0/4555=2, 1675/3.6=2...(8) QB ALA 75 - H ARG 27 OK 13 60 - 22 - 4557/4.6=3, 4546/4.0=3...(9) Peak 106 from nnoeabs.peaks (8.16, 8.35, 122.42 ppm; 3.94 A): 2 out of 2 assignments used, quality = 0.92: * H ARG 27 + H ARG 28 OK 88 100 - 88 - 4.6=61, 3.0/107=24...(15) H ALA 71 + H ARG 28 OK 34 57 - 60 - 3.6/622=9, 2.9/4063=9...(19) Peak 107 from nnoeabs.peaks (4.62, 8.35, 122.42 ppm; 2.81 A): 2 out of 10 assignments used, quality = 0.72: * HA ARG 27 + H ARG 28 OK 67 100 - 67 - 3.6=49, 3.0/106=10...(10) HA LYS 31 + H ARG 28 OK 15 83 - 18 - 3.0/109=2, 1767/4.2=2...(8) HA THR 38 - H ARG 28 lone 9 100 - 9 - 3936=1, 1767/4.2=1, 1775/4.2=1 HA HIS 42 - H ARG 28 lone 6 92 - 7 - 3.0/628=2 HA ASN 24 - H ARG 28 lone 4 97 - 4 - 614/4.6=1 HA ASP 82 - H ARG 28 lone 3 100 - 3 - HA GLU 33 - H ARG 28 lone 2 92 - 3 - HA LEU 12 - H ARG 28 lone 2 97 - 2 - HA ASP 43 - H ARG 28 lone 2 96 - 2 - HA ASN 63 - H ARG 28 lone 2 100 - 2 - Peak 108 from nnoeabs.peaks (1.77, 8.35, 122.42 ppm; 2.84 A): 3 out of 14 assignments used, quality = 0.94: * HB2 ARG 27 + H ARG 28 OK 64 100 - 64 - 4.2=31, 3.0/107=14...(9) HB3 ARG 28 + H ARG 28 OK 61 98 - 62 - 4.0=36, 1.8/1822=7...(14) HB2 ARG 28 + H ARG 28 OK 59 97 - 61 - 4.0=36, 1.8/1830=7...(14) HB2 LEU 73 - H ARG 28 OK 28 78 - 35 - 1.8/625=5, 4206/3.0=4...(13) HB2 LYS 31 - H ARG 28 OK 23 97 - 24 - 1.8/109=4, 1929/3.6=3...(8) QB ALA 74 - H ARG 28 OK 21 100 - 21 - 2.9/1079=4, 5733=2...(6) HD3 LYS 78 - H ARG 28 lone 8 99 - 8 - 3351/4.2=2 HB2 LYS 91 - H ARG 28 lone 7 89 - 8 - 1.8/109=1 QE MET 11 - H ARG 28 lone 7 99 - 7 - HB3 GLN 55 - H ARG 28 lone 6 68 - 8 - 2586/3.0=1, 3.0/622=1, ~2578=1 HB2 MET 48 - H ARG 28 lone 5 87 - 6 - HB3 MET 48 - H ARG 28 lone 4 73 - 5 - HG3 GLU 37 - H ARG 28 lone 4 96 - 4 - HB2 LYS 65 - H ARG 28 lone 3 96 - 3 - Peak 109 from nnoeabs.peaks (1.70, 8.35, 122.42 ppm; 2.97 A): 4 out of 11 assignments used, quality = 0.84: * HB3 ARG 27 + H ARG 28 OK 67 100 - 67 - 4.2=36, 3.0/107=15...(12) HB3 LEU 73 + H ARG 28 OK 22 65 - 33 - 3.9/966=5, 1.8/624=4...(11) HB3 LYS 31 + H ARG 28 OK 21 100 - 21 - 1939/3.6=3, 3.0/107=3...(8) HB2 LEU 30 + H ARG 28 OK 21 99 - 21 - 3.1/4558=3, 1.8/4557=3...(9) HD3 LYS 31 - H ARG 28 poor 9 71 - 13 - 3.0/110=2, 3.6/623=2...(5) HB3 GLU 51 - H ARG 28 lone 9 92 - 9 - 5089/4.7=3, 5088=2 HD2 LYS 31 - H ARG 28 poor 8 65 - 13 - 3.0/110=2, 3.6/623=2...(5) HB3 LYS 91 - H ARG 28 lone 8 97 - 8 - 1.8/623=1 HG2 LYS 78 - H ARG 28 lone 7 100 - 7 - 3324/4.2=2 HB3 LYS 17 - H ARG 28 lone 2 78 - 3 - HB2 LYS 17 - H ARG 28 lone 2 76 - 3 - Peak 110 from nnoeabs.peaks (1.42, 8.35, 122.42 ppm; 5.04 A): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 27 + H ARG 28 OK 100 100 - 100 - 5.0=100 HG2 LYS 31 + H ARG 28 OK 55 97 - 57 - 1770/4.2=9, 1949/3.6=9...(19) HB3 LEU 34 - H ARG 28 OK 29 100 - 29 - 4668/3.6=6, 1778/4.2=5...(7) HD2 LYS 44 - H ARG 28 OK 23 100 - 23 - 1778/4.2=4, 617/4.6=4...(7) HD3 LYS 56 - H ARG 28 OK 17 71 - 24 - 1770/4.2=3, 1778/4.2=3...(9) HB3 LYS 64 - H ARG 28 lone 7 76 - 9 - 1770/4.2=1, 1778/4.2=1...(4) HG2 LYS 65 - H ARG 28 lone 6 63 - 9 - 1770/4.2=1 Peak 111 from nnoeabs.peaks (1.52, 8.35, 122.42 ppm; 4.24 A): 2 out of 16 assignments used, quality = 0.97: * HG3 ARG 27 + H ARG 28 OK 90 100 - 90 - 5.0=61, 4.1/107=20...(16) QB ALA 71 + H ARG 28 OK 68 100 - 68 - 4063=12, 2.1/4062=10...(21) QB ALA 72 - H ARG 28 OK 37 71 - 53 - 3.6/966=11, 2.1/3155=9...(17) HB3 LYS 26 - H ARG 28 OK 34 100 - 34 - 4.3/106=18, 3.6/4557=3...(7) HG LEU 30 - H ARG 28 OK 33 78 - 43 - 2.1/4558=9, 2.1/4557=8...(10) HG LEU 34 - H ARG 28 OK 17 100 - 17 - 2092/5.0=3, 3.0/110=3...(6) HD2 LYS 56 - H ARG 28 OK 16 93 - 17 - 1.8/110=2, 1779/4.2=2...(7) HB2 LYS 56 - H ARG 28 OK 16 89 - 18 - ~5224=2, 1779/4.2=2...(8) HB3 LEU 87 - H ARG 28 lone 9 93 - 10 - 3.1/4557=2 HB3 LYS 44 - H ARG 28 poor 9 76 - 12 - 3.7/110=2, 3.0/4804=2 HD3 LYS 17 - H ARG 28 lone 9 98 - 9 - 1771/4.2=1, 1779/4.2=1 HD2 LYS 17 - H ARG 28 lone 9 98 - 9 - 1771/4.2=1, 1779/4.2=1 HB2 LEU 85 - H ARG 28 lone 8 100 - 8 - 3.1/4557=2 HG2 GLU 37 - H ARG 28 lone 7 90 - 8 - 2187/4.2=1 HD3 LYS 64 - H ARG 28 lone 7 99 - 7 - HB2 ARG 45 - H ARG 28 lone 4 98 - 4 - Peak 112 from nnoeabs.peaks (3.18, 8.35, 122.42 ppm; 3.86 A): 3 out of 7 assignments used, quality = 0.94: * HD2 ARG 27 + H ARG 28 OK 67 100 - 67 - 1.8/113=21, 3.5/109=12...(16) HD2 ARG 28 + H ARG 28 OK 59 76 - 78 - 5.9=28, 3.0/625=11...(20) HD3 ARG 28 + H ARG 28 OK 57 73 - 78 - 5.9=28, 1821/3.0=12...(20) HB2 PHE 57 - H ARG 28 OK 20 85 - 24 - 5253/4.2=3, 1780/4.2=2...(10) HB2 PHE 80 - H ARG 28 OK 20 99 - 20 - 1772/4.2=3, 1788/5.0=3...(7) HD3 PRO 81 - H ARG 28 OK 17 63 - 26 - 1820/3.0=4, ~3449=3...(10) HB3 HIS 42 - H ARG 28 OK 16 87 - 18 - 2226/3.6=3, 3.0/107=2...(8) Peak 113 from nnoeabs.peaks (3.59, 8.35, 122.42 ppm; 4.02 A): 3 out of 3 assignments used, quality = 0.80: * HD3 ARG 27 + H ARG 28 OK 67 100 - 67 - 1765/3.6=16, 3.5/109=13...(15) HB3 SER 36 + H ARG 28 OK 24 92 - 26 - 1765/3.6=6, 1773/4.2=5...(6) HA VAL 66 + H ARG 28 OK 20 73 - 28 - 1765/3.6=5, 4185=4...(7) Peak 114 from nnoeabs.peaks (8.35, 8.59, 108.95 ppm; 4.66 A): 3 out of 6 assignments used, quality = 1.00: * H ARG 28 + H GLY 29 OK 100 100 - 100 - 4.7=100 H ALA 72 + H GLY 29 OK 84 100 - 84 - 1004=20, 3.6/5641=16...(24) H TYR 70 + H GLY 29 OK 61 90 - 67 - 3.0/4204=16, 4.6/1067=12...(22) H ASN 90 - H GLY 29 lone 5 68 - 7 - 425/4.6=2, 4.6/967=1 H GLY 39 - H GLY 29 lone 2 71 - 3 - H GLY 40 - H GLY 29 lone 2 71 - 3 - Peak 115 from nnoeabs.peaks (4.41, 8.59, 108.95 ppm; 2.95 A): 3 out of 4 assignments used, quality = 0.90: * HA ARG 28 + H GLY 29 OK 79 100 - 79 - 3.6=56, 4559/3.0=13...(16) HA TYR 70 + H GLY 29 OK 40 98 - 41 - 4204=8, 3.6/967=6...(16) HA PRO 81 + H GLY 29 OK 18 99 - 19 - 5918/3.0=5, 5915/4.6=3...(5) HA GLN 55 - H GLY 29 lone 8 97 - 8 - Peak 116 from nnoeabs.peaks (1.79, 8.59, 108.95 ppm; 3.43 A): 2 out of 17 assignments used, quality = 0.94: * HB2 ARG 28 + H GLY 29 OK 82 100 - 82 - 4.6=40, 3.0/3882=19...(20) HB3 ARG 28 + H GLY 29 OK 68 83 - 82 - 4.6=40, 3.0/3882=19...(20) QB ALA 74 - H GLY 29 OK 33 97 - 34 - 2.9/343=10, 3.4/1084=7...(10) HB2 ARG 27 - H GLY 29 OK 25 97 - 26 - 4.2/966=8, 1816/3.6=3...(6) HB2 LYS 31 - H GLY 29 lone 9 100 - 9 - 623/4.7=2, 1816/3.6=1 QE MET 11 - H GLY 29 lone 8 87 - 9 - 4252/4.7=1, 1152/4.6=1 HB2 LYS 91 - H GLY 29 lone 7 99 - 7 - HG2 GLU 51 - H GLY 29 lone 7 81 - 8 - 3.0/5089=4 HG3 GLU 51 - H GLY 29 lone 7 78 - 8 - 3.0/5089=4 HG LEU 76 - H GLY 29 lone 5 81 - 7 - 2.1/4576=1 HB2 MET 48 - H GLY 29 lone 4 99 - 4 - HD3 LYS 78 - H GLY 29 lone 4 100 - 4 - HG3 GLU 37 - H GLY 29 lone 3 100 - 3 - HB2 LYS 65 - H GLY 29 lone 2 100 - 2 - HB2 LYS 44 - H GLY 29 lone 1 63 - 1 - HB2 GLU 37 - H GLY 29 lone 1 60 - 1 - HB3 GLU 33 - H GLY 29 lone 1 63 - 1 - Peak 117 from nnoeabs.peaks (1.77, 8.59, 108.95 ppm; 3.43 A): 3 out of 14 assignments used, quality = 0.98: * HB3 ARG 28 + H GLY 29 OK 82 100 - 82 - 4.6=40, 3.0/3882=19...(20) HB2 ARG 28 + H GLY 29 OK 68 83 - 82 - 4.6=40, 3.0/3882=19...(20) HB2 LEU 73 + H GLY 29 OK 56 95 - 60 - 3168=15, 1.8/3175=13...(15) QB ALA 74 - H GLY 29 OK 34 98 - 35 - 2.9/343=10, 3.4/1084=7...(10) HB2 ARG 27 - H GLY 29 OK 25 98 - 26 - 4.2/966=8, 1817/3.6=3...(5) QE MET 11 - H GLY 29 lone 10 100 - 10 - 4252/4.7=1, 1152/4.6=1 HB3 GLN 55 - H GLY 29 lone 8 89 - 9 - 2586/3.6=2, 3.0/115=2 HB2 LYS 31 - H GLY 29 lone 6 83 - 8 - 108/4.7=1 HB3 MET 48 - H GLY 29 lone 4 92 - 5 - HB2 LYS 91 - H GLY 29 lone 4 68 - 6 - HD3 LYS 78 - H GLY 29 lone 3 89 - 4 - HB2 MET 48 - H GLY 29 lone 2 65 - 4 - HG3 GLU 37 - H GLY 29 lone 2 81 - 2 - HB2 LYS 65 - H GLY 29 lone 2 81 - 2 - Peak 118 from nnoeabs.peaks (1.66, 8.59, 108.95 ppm; 3.85 A): 3 out of 11 assignments used, quality = 0.99: HG3 ARG 28 + H GLY 29 OK 86 100 - 86 - 4.9=49, 3.8/3882=19...(19) * HG2 ARG 28 + H GLY 29 OK 86 100 - 86 - 4.9=49, 3.8/3882=19...(19) HB3 LEU 73 + H GLY 29 OK 66 97 - 68 - 3175=18, 1.8/3168=15...(16) HB3 GLU 51 - H GLY 29 OK 12 76 - 16 - 5089=5, 5088/4.7=3, 4573/3.0=1 HD2 LYS 31 - H GLY 29 lone 8 97 - 8 - 625/4.7=1, 1818/3.6=1 HD3 LYS 31 - H GLY 29 lone 8 95 - 8 - 625/4.7=1, 1818/3.6=1 HB3 LYS 91 - H GLY 29 lone 6 65 - 9 - 1.8/116=1 HD2 LYS 91 - H GLY 29 lone 4 76 - 5 - HD3 LYS 91 - H GLY 29 lone 4 73 - 5 - HB2 LYS 14 - H GLY 29 lone 2 93 - 2 - HB3 LYS 14 - H GLY 29 lone 2 93 - 2 - Peak 119 from nnoeabs.peaks (1.66, 8.59, 108.95 ppm; 3.85 A): 3 out of 12 assignments used, quality = 0.99: * HG3 ARG 28 + H GLY 29 OK 86 100 - 86 - 4.9=49, 3.8/3882=19...(19) HG2 ARG 28 + H GLY 29 OK 86 100 - 86 - 4.9=49, 3.8/3882=19...(19) HB3 LEU 73 + H GLY 29 OK 67 98 - 69 - 3175=18, 1.8/3168=15...(16) HB2 LEU 30 - H GLY 29 OK 22 60 - 36 - 4.0/122=13, 1.8/4576=5...(10) HB3 GLU 51 - H GLY 29 OK 14 81 - 17 - 5089=5, 5088/4.7=3, 4573/3.0=1 HD2 LYS 31 - H GLY 29 lone 8 98 - 8 - 625/4.7=1, 1818/3.6=1 HD3 LYS 31 - H GLY 29 lone 8 97 - 8 - 625/4.7=1, 1818/3.6=1 HB3 LYS 91 - H GLY 29 lone 6 71 - 9 - 1.8/116=1, 3723/4.9=1 HD2 LYS 91 - H GLY 29 lone 3 71 - 5 - HD3 LYS 91 - H GLY 29 lone 3 68 - 5 - HB3 LYS 14 - H GLY 29 lone 2 90 - 2 - HB2 LYS 14 - H GLY 29 lone 2 90 - 2 - Peak 120 from nnoeabs.peaks (3.16, 8.59, 108.95 ppm; 5.47 A): 3 out of 5 assignments used, quality = 0.95: * HD2 ARG 28 + H GLY 29 OK 88 100 - 88 - 3887=26, 4.7/3882=26...(16) HD3 PRO 81 + H GLY 29 OK 38 100 - 38 - 3456/3.6=10, 3.6/115=6...(9) HD2 ARG 27 + H GLY 29 OK 34 76 - 45 - 3880/4.7=9, 1820/3.6=8...(15) HB2 PHE 57 - H GLY 29 OK 32 100 - 32 - 627/4.7=5, 1820/3.6=4...(13) HB2 PHE 80 - H GLY 29 OK 16 89 - 17 - 1820/3.6=3, 627/4.7=3...(6) Peak 121 from nnoeabs.peaks (3.21, 8.59, 108.95 ppm; 5.48 A): 3 out of 3 assignments used, quality = 0.93: * HD3 ARG 28 + H GLY 29 OK 86 100 - 86 - 4.7/3882=26, 3888=23...(13) HD2 ARG 27 + H GLY 29 OK 36 73 - 50 - 1821/3.6=12, 628/4.7=12...(13) HB3 HIS 42 + H GLY 29 OK 16 99 - 16 - 628/4.7=5, 1821/3.6=4...(6) Peak 122 from nnoeabs.peaks (8.59, 8.11, 119.36 ppm; 3.63 A): 2 out of 4 assignments used, quality = 0.75: * H GLY 29 + H LEU 30 OK 61 100 - 61 - 4.6=48, 3.6/4568=8...(7) H LEU 73 + H LEU 30 OK 37 97 - 39 - 1076/3.6=8, 1074=7...(13) H GLY 29 - H MET 11 poor 7 60 - 11 - 967=4, 3.0/3889=2...(4) H LEU 73 - H MET 11 lone 3 55 - 6 - Peak 123 from nnoeabs.peaks (3.83, 8.11, 119.36 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HA2 GLY 29 + H LEU 30 OK 100 100 - 100 - 3.6=100 HD2 PRO 84 - H MET 11 poor 9 50 - 18 - 1.8/5944=3, 3.0/1145=3...(6) HA2 GLY 29 - H MET 11 poor 6 60 - 10 - 3889=3, 3.0/967=2, 1.8/3890=2 HD2 PRO 84 - H LEU 30 lone 5 92 - 5 - 1874/3.6=1, 630/4.6=1 Peak 124 from nnoeabs.peaks (3.87, 8.11, 119.36 ppm; 3.79 A): 1 out of 8 assignments used, quality = 1.00: * HA3 GLY 29 + H LEU 30 OK 100 100 - 100 - 3.6=100 HA ALA 69 - H LEU 30 OK 24 100 - 24 - 4202/4.6=5, 3.6/1002=5...(8) HA GLU 77 - H LEU 30 lone 8 100 - 7 - 631/4.6=1, 6049/5915=1 HA3 GLY 29 - H MET 11 poor 6 60 - 10 - 3890=3, 3.0/967=2, 1.8/3889=2 HA GLU 22 - H LEU 30 lone 5 85 - 5 - HA ALA 69 - H MET 11 lone 4 60 - 6 - 3.6/1002=1 HA GLU 77 - H MET 11 lone 3 60 - 4 - 5790/4.6=2, 6049/5915=1 HA GLU 22 - H MET 11 lone 1 45 - 2 - Peak 125 from nnoeabs.peaks (8.11, 8.49, 121.74 ppm; 4.31 A): 1 out of 4 assignments used, quality = 0.95: * H LEU 30 + H LYS 31 OK 95 100 - 95 - 4.6=80, 2.9/126=29...(10) H ALA 71 - H LYS 31 OK 22 89 - 25 - 1904/5.0=5, 1890/4.6=5...(7) H ALA 89 - H LYS 31 OK 22 100 - 22 - 1883/4.6=4, 1911/5.0=4...(7) H MET 11 - H LYS 31 OK 21 98 - 21 - 968=5, 1904/5.0=3...(7) Peak 126 from nnoeabs.peaks (4.22, 8.49, 121.74 ppm; 2.65 A): 3 out of 5 assignments used, quality = 0.75: * HA LEU 30 + H LYS 31 OK 65 100 - 65 - 3.6=41, 3.0/128=8...(10) HA LEU 87 + H LYS 31 OK 16 87 - 19 - 3891=6, 1891/4.6=2...(7) HA ASP 53 + H LYS 31 OK 16 96 - 17 - 3891=5, 1891/4.6=2...(9) HA ALA 89 - H LYS 31 lone 4 65 - 6 - 3.0/125=1 HA3 GLY 40 - H LYS 31 lone 2 87 - 2 - Peak 127 from nnoeabs.peaks (1.69, 8.49, 121.74 ppm; 3.02 A): 4 out of 11 assignments used, quality = 0.98: HB3 LYS 31 + H LYS 31 OK 73 98 - 75 - 3.9=46, 1.8/1928=18...(12) * HB2 LEU 30 + H LYS 31 OK 70 100 - 70 - 4.6=28, 3.0/126=17...(14) HD3 LYS 31 + H LYS 31 OK 51 87 - 59 - 5.8=14, 3.6/1928=11...(15) HD2 LYS 31 + H LYS 31 OK 49 83 - 59 - 5.8=14, 3.6/1928=11...(15) HB3 ARG 27 - H LYS 31 OK 41 99 - 41 - 1.8/641=5, 2.9/643=4...(20) HB3 GLU 51 - H LYS 31 OK 20 99 - 21 - 3.9/6067=10, 5068/4602=2...(5) HG2 LYS 78 - H LYS 31 OK 11 97 - 11 - 5814/5.0=2, 3324/3.9=1 HB3 LEU 73 - H LYS 31 poor 9 83 - 11 - 3.1/130=2, 3180/5.0=2...(5) HB3 LYS 91 - H LYS 31 lone 7 100 - 7 - 3719/3.9=1, 1.8/641=1 HB3 LYS 17 - H LYS 31 lone 5 60 - 9 - 1938=2, 1.8/1938=1 HG3 ARG 28 - H LYS 31 lone 4 60 - 6 - Peak 128 from nnoeabs.peaks (0.90, 8.49, 121.74 ppm; 3.00 A): 5 out of 8 assignments used, quality = 0.87: * HB3 LEU 30 + H LYS 31 OK 69 100 - 69 - 4.6=27, 3.0/126=17...(14) QD2 LEU 30 + H LYS 31 OK 36 60 - 59 - 5.0=22, 4.0/126=11...(11) HD3 LYS 26 + H LYS 31 OK 15 100 - 15 - 3.0/130=2, 1732/5.0=2...(7) QD2 LEU 23 + H LYS 31 OK 12 92 - 13 - 4480/4602=5, 2.1/130=2...(4) QD1 LEU 87 + H LYS 31 OK 12 100 - 12 - 4.1/126=3, 1886/4.6=2...(6) QD1 LEU 85 - H LYS 31 lone 5 99 - 5 - QB ALA 75 - H LYS 31 lone 4 60 - 7 - 6109/5045=2, 4603/3.9=1 QD1 LEU 76 - H LYS 31 lone 4 89 - 4 - Peak 129 from nnoeabs.peaks (1.54, 8.49, 121.74 ppm; 4.50 A): 3 out of 10 assignments used, quality = 0.96: * HG LEU 30 + H LYS 31 OK 88 100 - 88 - 2.1/3896=34, 3.7/126=26...(14) HG3 ARG 27 + H LYS 31 OK 54 78 - 69 - 1.8/643=12, 2.9/641=7...(26) HB3 LEU 87 + H LYS 31 OK 34 99 - 35 - 3.0/126=7, 1887/4.6=5...(9) HB3 LYS 44 - H LYS 31 OK 34 100 - 34 - 3.7/4802=12, 3.7/4801=10...(6) HB3 LYS 26 - H LYS 31 OK 27 78 - 35 - 1.8/644=5, 2.9/130=4...(13) QB ALA 71 - H LYS 31 OK 25 83 - 30 - 5663/5045=5, 3152/4.6=5...(9) HD2 LYS 56 - H LYS 31 OK 19 99 - 19 - 1.8/643=4, ~1922=2...(5) HG LEU 34 - H LYS 31 poor 8 71 - 12 - ~4674=2, 3.0/643=2 HB2 LEU 85 - H LYS 31 poor 8 65 - 11 - 1894/4.6=2, 1887/4.6=1...(5) HD3 LYS 64 - H LYS 31 lone 6 90 - 6 - Peak 130 from nnoeabs.peaks (0.77, 8.49, 121.74 ppm; 4.21 A): 2 out of 7 assignments used, quality = 0.95: * QD1 LEU 30 + H LYS 31 OK 93 100 - 93 - 5.0=61, 2.1/3896=32...(15) QD1 LEU 73 + H LYS 31 OK 29 99 - 29 - 1888/4.6=5, 1895/4.6=4...(9) QD1 LEU 23 - H LYS 31 OK 27 87 - 31 - 4481/4602=10, 1895/4.6=4...(9) HG2 LYS 26 - H LYS 31 OK 25 78 - 32 - 1895/4.6=4, 3.0/128=4...(12) QD2 LEU 79 - H LYS 31 OK 13 92 - 14 - 5843/3.6=2, 1888/4.6=2...(5) QG1 VAL 20 - H LYS 31 lone 7 73 - 10 - 4407/4596=3, 6039/4602=1 QD1 LEU 12 - H LYS 31 lone 5 73 - 7 - Peak 131 from nnoeabs.peaks (0.87, 8.49, 121.74 ppm; 3.15 A): 4 out of 11 assignments used, quality = 0.85: * QD2 LEU 30 + H LYS 31 OK 67 100 - 67 - 3896=27, 4.0/126=12...(12) HB3 LEU 30 + H LYS 31 OK 43 60 - 72 - 4.6=31, 3.0/126=18...(14) HD2 LYS 26 + H LYS 31 OK 12 85 - 15 - 3.0/130=2, 3.6/644=2...(7) QB ALA 75 + H LYS 31 OK 11 100 - 11 - 6109/5045=4, 4603/3.9=1 QD1 LEU 87 - H LYS 31 poor 8 73 - 11 - 4.1/126=3, 3.1/129=2...(4) QD2 LEU 87 - H LYS 31 poor 8 71 - 11 - 4.1/126=3, 3.1/129=2...(4) HD3 LYS 26 - H LYS 31 poor 7 60 - 12 - 3.0/130=2, 3.6/644=2...(6) QD2 LEU 73 - H LYS 31 lone 5 60 - 9 - 2.1/130=3, 3201/5.0=1 QD1 LEU 76 - H LYS 31 lone 4 96 - 5 - QD1 LEU 85 - H LYS 31 lone 3 81 - 4 - QG2 VAL 47 - H LYS 31 lone 1 63 - 1 - Peak 132 from nnoeabs.peaks (8.49, 8.68, 124.25 ppm; 4.13 A): 1 out of 2 assignments used, quality = 0.95: * H LYS 31 + H TYR 32 OK 95 100 - 95 - 4.7=70, 3.0/3897=40...(11) H THR 38 - H TYR 32 OK 36 93 - 38 - 1928/4.1=10, 1918/3.6=10...(7) Peak 133 from nnoeabs.peaks (4.60, 8.68, 124.25 ppm; 2.54 A): 2 out of 9 assignments used, quality = 0.68: * HA LYS 31 + H TYR 32 OK 64 100 - 64 - 3.6=36, 3.0/3898=11...(10) HA ARG 27 + H TYR 32 OK 11 83 - 13 - 1929/4.1=2, 1939/4.1=2...(7) HA THR 38 - H TYR 32 poor 10 92 - 11 - 3.0/132=3, 2194/4.7=2...(4) HA ASN 24 - H TYR 32 lone 3 57 - 5 - 3897=2 HA ASN 63 - H TYR 32 lone 2 71 - 3 - HA LEU 12 - H TYR 32 lone 2 97 - 2 - HA ASP 43 - H TYR 32 lone 2 99 - 2 - HA ASP 82 - H TYR 32 lone 1 83 - 2 - HA HIS 10 - H TYR 32 lone 1 92 - 1 - Peak 134 from nnoeabs.peaks (1.79, 8.68, 124.25 ppm; 3.60 A): 2 out of 17 assignments used, quality = 0.96: * HB2 LYS 31 + H TYR 32 OK 93 100 - 93 - 4.1=67, 3.0/3897=32...(13) HB2 MET 48 + H TYR 32 OK 36 99 - 37 - 4.0/4921=10, 3.0/651=6...(9) HB3 GLU 33 - H TYR 32 OK 28 63 - 45 - 4.1/142=16, ~4643=9...(8) HB2 ARG 27 - H TYR 32 OK 27 97 - 28 - 2.9/136=4, 1920/3.6=4...(9) HG3 GLU 37 - H TYR 32 OK 12 100 - 11 - 3935/4.7=3, 4907/4.4=2...(4) HD3 LYS 78 - H TYR 32 OK 11 100 - 11 - 3351/4.1=2, 1920/3.6=1 HG2 GLU 51 - H TYR 32 poor 10 81 - 12 - 4611/3.0=2, ~4611=1, 3.0/138=1 HG3 GLU 51 - H TYR 32 poor 9 78 - 12 - 4611/3.0=2, ~4611=1, 3.0/138=1 HB2 LYS 91 - H TYR 32 lone 9 99 - 9 - 3710/4.1=2, 1920/3.6=1 HB2 LYS 44 - H TYR 32 poor 7 63 - 11 - 3.7/136=3, 3.7/137=2 HB2 ARG 28 - H TYR 32 lone 6 100 - 6 - HG LEU 76 - H TYR 32 lone 6 81 - 8 - 4606/4.4=1, 3.0/4607=1 HB2 GLU 37 - H TYR 32 poor 6 60 - 10 - 4.4/132=4, 3932/4.7=2 HB2 LYS 65 - H TYR 32 lone 5 100 - 5 - HB3 ARG 28 - H TYR 32 lone 4 83 - 5 - QB ALA 74 - H TYR 32 lone 4 97 - 4 - QE MET 11 - H TYR 32 lone 3 87 - 4 - 4247/4.4=1 Peak 135 from nnoeabs.peaks (1.70, 8.68, 124.25 ppm; 3.72 A): 2 out of 11 assignments used, quality = 0.98: * HB3 LYS 31 + H TYR 32 OK 96 100 - 96 - 4.1=75, 3.0/3897=34...(13) HD3 LYS 31 + H TYR 32 OK 48 65 - 74 - 3.6/3898=22, 3.0/3901=22...(9) HD2 LYS 31 - H TYR 32 OK 44 60 - 74 - 3.6/3898=22, 3.0/3901=22...(9) HB2 LEU 30 - H TYR 32 OK 34 98 - 35 - 4.6/969=16, 4589/6.4=8...(6) HB3 ARG 27 - H TYR 32 OK 27 100 - 27 - 2.9/136=5, 3.0/133=4...(9) HB3 GLU 51 - H TYR 32 OK 12 89 - 14 - 5068/4609=3, 2517/4.1=1...(6) HB3 LYS 17 - H TYR 32 OK 12 83 - 14 - 3899=3, 1.8/3899=3...(5) HB2 LYS 17 - H TYR 32 OK 12 81 - 14 - 3899=3, 1.8/3899=3...(5) HG2 LYS 78 - H TYR 32 lone 9 100 - 9 - 3324/4.1=2, 1921/3.6=1 HB3 LYS 91 - H TYR 32 lone 7 95 - 7 - 3719/4.1=2, 1.8/134=1 HB3 LEU 73 - H TYR 32 lone 2 60 - 4 - Peak 136 from nnoeabs.peaks (1.41, 8.68, 124.25 ppm; 4.19 A): 2 out of 6 assignments used, quality = 0.94: * HG2 LYS 31 + H TYR 32 OK 91 100 - 91 - 3900=35, 1.8/3901=34...(11) HG2 ARG 27 + H TYR 32 OK 34 97 - 35 - 1932/4.1=8, 1922/3.6=7...(8) HD2 LYS 44 - H TYR 32 OK 26 95 - 28 - 4802/4.7=8, 1932/4.1=5...(6) HD3 LYS 56 - H TYR 32 OK 13 92 - 14 - 1932/4.1=3, 1922/3.6=3...(6) HB3 LEU 34 - H TYR 32 OK 12 93 - 13 - 3.0/650=3, 6035/4921=2...(5) QB ALA 69 - H TYR 32 lone 3 76 - 4 - Peak 137 from nnoeabs.peaks (1.30, 8.68, 124.25 ppm; 3.94 A): 2 out of 9 assignments used, quality = 0.95: * HG3 LYS 31 + H TYR 32 OK 89 100 - 89 - 3901=33, 3.7/3897=31...(14) HB VAL 50 + H TYR 32 OK 52 71 - 74 - 2.1/4609=19, 4997/3.0=17...(13) HB3 LYS 68 - H TYR 32 OK 33 99 - 33 - 4.9/5571=10, 5524/6.4=9...(8) HD3 LYS 44 - H TYR 32 OK 25 98 - 26 - 4801/4.7=6, 1.8/136=5...(6) HB2 LYS 26 - H TYR 32 OK 24 98 - 25 - 4610/3.0=3, 4609/4.4=3...(11) HG3 LYS 56 - H TYR 32 poor 10 83 - 12 - 1933/4.1=2, 3.0/136=2...(5) HG3 ARG 45 - H TYR 32 lone 8 87 - 9 - 1933/4.1=2, 1923/3.6=1 HG3 LYS 17 - H TYR 32 poor 8 60 - 13 - 2.9/3899=2, 2.9/3899=2...(4) QB ALA 60 - H TYR 32 lone 6 97 - 6 - Peak 138 from nnoeabs.peaks (1.67, 8.68, 124.25 ppm; 3.64 A): 3 out of 12 assignments used, quality = 0.97: * HD2 LYS 31 + H TYR 32 OK 73 100 - 73 - 3.6/3898=21, 3.0/3901=21...(9) HD3 LYS 31 + H TYR 32 OK 73 100 - 73 - 3.6/3898=21, 3.0/3901=21...(9) HB3 LYS 31 + H TYR 32 OK 57 60 - 95 - 4.1=70, 3.0/3897=33...(12) HB2 LEU 30 - H TYR 32 OK 26 83 - 31 - 4.6/969=15, 4589/6.4=6...(6) HB3 ARG 27 - H TYR 32 OK 15 65 - 23 - 2.9/136=4, 3.0/133=4...(9) HB3 GLU 51 - H TYR 32 OK 13 96 - 14 - 5068/4609=3, 645/4.7=1...(5) HB3 LYS 91 - H TYR 32 lone 6 90 - 7 - 3719/4.1=2, 1.8/134=1 HG3 ARG 28 - H TYR 32 lone 5 98 - 6 - HG2 ARG 28 - H TYR 32 lone 5 97 - 5 - HB3 LEU 73 - H TYR 32 lone 5 100 - 5 - HB3 LYS 14 - H TYR 32 lone 1 71 - 1 - HB2 LYS 14 - H TYR 32 lone 1 71 - 1 - Peak 139 from nnoeabs.peaks (1.67, 8.68, 124.25 ppm; 3.64 A): 3 out of 13 assignments used, quality = 0.97: * HD3 LYS 31 + H TYR 32 OK 73 100 - 73 - 3.6/3898=21, 3.0/3901=21...(9) HD2 LYS 31 + H TYR 32 OK 73 100 - 73 - 3.6/3898=21, 3.0/3901=21...(9) HB3 LYS 31 + H TYR 32 OK 62 65 - 95 - 4.1=70, 3.0/3897=33...(12) HB2 LEU 30 - H TYR 32 OK 28 87 - 32 - 4.6/969=15, 4589/6.4=6...(6) HB3 ARG 27 - H TYR 32 OK 16 71 - 23 - 2.9/136=4, 3.0/133=4...(9) HB3 GLU 51 - H TYR 32 OK 14 97 - 14 - 5068/4609=3, 645/4.7=1...(5) HB3 LYS 91 - H TYR 32 lone 6 93 - 7 - 3719/4.1=2, 1.8/134=1 HG3 ARG 28 - H TYR 32 lone 5 97 - 6 - HG2 ARG 28 - H TYR 32 lone 5 95 - 5 - HB3 LEU 73 - H TYR 32 lone 5 100 - 5 - HG2 LYS 78 - H TYR 32 lone 4 63 - 7 - 3324/4.1=1, 2.9/134=1 HB3 LYS 14 - H TYR 32 lone 1 65 - 1 - HB2 LYS 14 - H TYR 32 lone 1 65 - 1 - Peak 142 from nnoeabs.peaks (8.68, 9.44, 124.37 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.99: * H TYR 32 + H GLU 33 OK 99 100 - 99 - 4.6=94, 3.0/143=37...(12) Peak 143 from nnoeabs.peaks (4.95, 9.44, 124.37 ppm; 2.75 A): 2 out of 2 assignments used, quality = 0.78: * HA TYR 32 + H GLU 33 OK 72 100 - 72 - 3.6=46, 3.0/142=10...(13) HA LEU 34 + H GLU 33 OK 19 57 - 34 - 3.0/148=7, 3.6/4702=4...(14) Peak 144 from nnoeabs.peaks (2.51, 9.44, 124.37 ppm; 3.94 A): 2 out of 4 assignments used, quality = 0.96: * HB2 TYR 32 + H GLU 33 OK 88 100 - 89 - 4.7=61, 3.0/143=31...(11) HG2 MET 48 + H GLU 33 OK 65 90 - 72 - 4.0/4644=19, 3.3/3962=12...(16) HE3 LYS 26 - H GLU 33 OK 18 100 - 18 - 2010/3.6=3, 4540/4.6=3...(5) HE2 LYS 26 - H GLU 33 OK 18 100 - 18 - 2010/3.6=3, 4540/4.6=3...(5) Peak 145 from nnoeabs.peaks (2.86, 9.44, 124.37 ppm; 4.27 A): 1 out of 10 assignments used, quality = 0.95: * HB3 TYR 32 + H GLU 33 OK 95 100 - 95 - 4.7=78, 3.0/143=35...(9) HB2 ASN 18 - H GLU 33 OK 15 100 - 15 - 3.9/971=4, 2011/3.6=2...(5) HB3 ASN 18 - H GLU 33 OK 15 100 - 15 - 3.9/971=4, 2011/3.6=2...(5) HE3 LYS 17 - H GLU 33 OK 14 100 - 14 - 4541/4.6=3, 2011/3.6=3...(5) HB3 ASN 24 - H GLU 33 OK 14 100 - 13 - 2011/3.6=2, 4541/4.6=2...(5) HE2 LYS 17 - H GLU 33 OK 13 97 - 14 - 4541/4.6=3, 2011/3.6=2...(5) HB3 ASN 63 - H GLU 33 OK 10 99 - 10 - 2011/3.6=2, 3.0/656=1...(6) HE2 LYS 65 - H GLU 33 lone 3 71 - 4 - HE3 LYS 65 - H GLU 33 lone 2 60 - 4 - HB2 ASN 90 - H GLU 33 lone 2 73 - 3 - Peak 147 from nnoeabs.peaks (6.82, 9.44, 124.37 ppm; 4.30 A): 1 out of 3 assignments used, quality = 0.97: * QD TYR 32 + H GLU 33 OK 97 100 - 97 - 4.6=82, 3.7/143=30...(18) QE TYR 70 - H GLU 33 OK 22 87 - 26 - 2013/3.6=5, 2019/4.7=4...(7) HE21 GLN 55 - H GLU 33 OK 15 76 - 19 - 2013/3.6=3, 2019/4.7=2...(7) Peak 148 from nnoeabs.peaks (9.44, 8.79, 126.77 ppm; 4.21 A): 2 out of 2 assignments used, quality = 0.99: * H GLU 33 + H LEU 34 OK 93 100 - 93 - 4.6=75, 2.9/3911=24...(15) H GLU 49 + H LEU 34 OK 79 97 - 82 - 4931/3.0=31, 4927/4.6=20...(21) Peak 149 from nnoeabs.peaks (4.63, 8.79, 126.77 ppm; 2.67 A): 3 out of 11 assignments used, quality = 0.71: * HA GLU 33 + H LEU 34 OK 61 100 - 61 - 3.6=42, 3.0/3912=6...(11) HA LYS 56 + H LEU 34 OK 14 60 - 24 - 3991=4, 4.0/666=3...(8) HA PHE 57 + H LEU 34 OK 13 83 - 16 - 2699=3, 3.7/4649=2...(8) HA THR 38 - H LEU 34 lone 6 83 - 7 - 2197/4.7=1, 4668/4.0=1 HA ARG 27 - H LEU 34 lone 6 92 - 6 - 4668/4.0=1, 4.1/664=1 HA ASP 82 - H LEU 34 lone 6 92 - 6 - 3911=2 HA ASN 24 - H LEU 34 lone 2 100 - 2 - HA LEU 12 - H LEU 34 lone 2 71 - 4 - 4.0/6149=2 HA ASN 63 - H LEU 34 lone 2 97 - 2 - HA HIS 42 - H LEU 34 lone 1 100 - 1 - HA ASP 43 - H LEU 34 lone 1 65 - 1 - Peak 150 from nnoeabs.peaks (1.94, 8.79, 126.77 ppm; 3.06 A): 7 out of 15 assignments used, quality = 0.94: * HB2 GLU 33 + H LEU 34 OK 69 100 - 69 - 4.2=38, 3.0/3911=15...(12) QE MET 48 + H LEU 34 OK 52 96 - 55 - 4920=11, 4893/3.0=11...(13) HG3 GLU 49 + H LEU 34 OK 25 90 - 28 - 1.8/4935=5, 5.0/148=4...(10) HB VAL 47 + H LEU 34 OK 18 96 - 19 - 5977/4.6=7, 2.1/4681=2...(5) HB3 GLU 22 + H LEU 34 OK 11 100 - 11 - 3.0/153=2, 4453/4.7=1 HB2 GLU 77 + H LEU 34 OK 11 90 - 12 - 1.8/153=4, 3.0/152=3...(4) HB2 GLU 51 + H LEU 34 OK 11 71 - 15 - 3.0/5084=3, 3.0/151=2...(6) HG2 PRO 19 - H LEU 34 lone 8 89 - 9 - 4373/4.7=1, 2.3/663=1, 2.3/663=1 HB2 LEU 76 - H LEU 34 lone 7 100 - 7 - 3226/4.2=1 HG3 PRO 84 - H LEU 34 lone 6 99 - 6 - 1.8/663=2 HB2 GLN 58 - H LEU 34 lone 4 87 - 4 - 4.0/257=2 HB VAL 20 - H LEU 34 lone 3 100 - 3 - HD2 LYS 78 - H LEU 34 lone 3 78 - 4 - HG3 PRO 81 - H LEU 34 lone 2 76 - 3 - HB3 PRO 81 - H LEU 34 lone 1 65 - 2 - Peak 151 from nnoeabs.peaks (1.81, 8.79, 126.77 ppm; 3.85 A): 2 out of 14 assignments used, quality = 0.96: * HB3 GLU 33 + H LEU 34 OK 92 100 - 92 - 4.2=76, 3.0/3911=22...(12) HB2 MET 48 + H LEU 34 OK 50 81 - 62 - 3.0/4698=15, ~4876=13...(12) HG3 GLU 51 - H LEU 34 OK 27 99 - 27 - 3.9/5084=4, 5091=4...(10) HG2 GLU 51 - H LEU 34 OK 27 99 - 27 - 3.9/5084=4, 5091=4...(10) HB2 LYS 44 - H LEU 34 OK 20 100 - 20 - 3.7/664=3, 3913=2...(8) HG LEU 76 - H LEU 34 poor 10 99 - 10 - 2047/4.2=2, 2041/3.6=2...(4) HB2 GLU 37 - H LEU 34 lone 9 100 - 9 - 2174/5.1=2, 3.0/665=1 HB2 GLU 22 - H LEU 34 poor 9 63 - 14 - 3.0/153=3, 1.8/150=2...(5) HG3 GLU 37 - H LEU 34 poor 8 65 - 13 - 4777/4.7=2, 1.8/665=2...(5) HB2 LYS 31 - H LEU 34 poor 7 63 - 11 - 658/4.6=2, 3.0/664=1, 2047/4.2=1 HB VAL 66 - H LEU 34 lone 6 63 - 9 - 2.1/666=3, ~2073=1, 3005/4.7=1 HB2 LYS 65 - H LEU 34 lone 4 65 - 6 - HB2 LYS 91 - H LEU 34 lone 2 78 - 2 - HB2 ARG 28 - H LEU 34 lone 1 63 - 2 - Peak 152 from nnoeabs.peaks (2.22, 8.79, 126.77 ppm; 4.13 A): 4 out of 4 assignments used, quality = 0.90: * HG2 GLU 33 + H LEU 34 OK 76 100 - 77 - 3914=23, 1.8/153=19...(13) HE2 LYS 68 + H LEU 34 OK 35 99 - 36 - 1.8/663=5, 659/4.6=5...(12) HG2 GLU 77 + H LEU 34 OK 28 100 - 28 - 2048/4.2=7, 2054/4.2=6...(7) HG2 GLU 25 + H LEU 34 OK 11 100 - 11 - 2048/4.2=2, 2042/3.6=2...(4) Peak 153 from nnoeabs.peaks (2.06, 8.79, 126.77 ppm; 3.81 A): 4 out of 8 assignments used, quality = 0.82: * HG3 GLU 33 + H LEU 34 OK 69 100 - 69 - 1.8/152=17, 3915=15...(13) HB3 GLU 77 + H LEU 34 OK 24 99 - 24 - 2049/4.2=5, 3.0/152=5...(7) HG2 GLU 22 + H LEU 34 OK 16 99 - 16 - 2049/4.2=3, 2043/3.6=3...(6) HA ALA 75 + H LEU 34 OK 11 99 - 11 - 2.1/5747=2, 2043/3.6=1...(4) QE MET 21 - H LEU 34 lone 9 100 - 9 - 6155=2, 2049/4.2=1, 2043/3.6=1 HB2 MET 21 - H LEU 34 lone 9 100 - 9 - 4.2/6155=2, 2049/4.2=1...(4) HB2 GLN 55 - H LEU 34 poor 8 76 - 11 - 4.6/988=3, 3.9/236=2, 2.9/5194=2 HG3 GLN 55 - H LEU 34 poor 8 78 - 10 - 4.7/988=3, 4.9/236=2, 5194=1 Peak 154 from nnoeabs.peaks (8.79, 8.98, 126.94 ppm; 4.90 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 34 + H ILE 35 OK 100 100 - 100 - 4.6=100 H PHE 57 + H ILE 35 OK 51 99 - 52 - 4.6/4703=9, 2075/4.2=9...(16) H ASN 18 - H ILE 35 OK 35 99 - 35 - 4.9/3921=7, 2068/3.6=5...(11) H GLY 54 - H ILE 35 OK 23 97 - 23 - 5158/4.2=7, 2068/3.6=4...(7) Peak 155 from nnoeabs.peaks (4.97, 8.98, 126.94 ppm; 2.91 A): 1 out of 1 assignment used, quality = 0.83: * HA LEU 34 + H ILE 35 OK 83 100 - 83 - 3.6=54, 4.0/3921=10...(16) Peak 156 from nnoeabs.peaks (2.00, 8.98, 126.94 ppm; 4.21 A): 4 out of 12 assignments used, quality = 1.00: * HB2 LEU 34 + H ILE 35 OK 100 100 - 100 - 4.2=100 HG2 PRO 84 + H ILE 35 OK 56 100 - 56 - 3557/3.0=11, ~3550=7...(16) HG2 GLU 49 + H ILE 35 OK 50 81 - 62 - 5.0/4927=18, 4976/4.5=13...(16) HB3 GLU 49 + H ILE 35 OK 49 76 - 65 - 3.7/4927=24, 4970/4.8=13...(17) HE3 LYS 68 - H ILE 35 OK 31 99 - 31 - 3.0/160=5, 3.0/160=4...(13) HB3 PRO 19 - H ILE 35 OK 21 97 - 22 - 2.3/670=3, 2084/4.2=3...(12) HB2 PRO 19 - H ILE 35 OK 19 92 - 21 - 2.3/670=3, 2084/4.2=2...(12) HB2 LYS 78 - H ILE 35 OK 14 100 - 14 - 1.8/670=2, 3300/3.9=1 HB2 GLU 51 - H ILE 35 lone 6 65 - 9 - 5064/3920=2, 663/4.6=1...(5) HB3 PRO 81 - H ILE 35 lone 5 71 - 7 - 2.3/670=1 HB2 LEU 23 - H ILE 35 lone 5 81 - 5 - HB2 GLU 25 - H ILE 35 lone 4 100 - 4 - Peak 157 from nnoeabs.peaks (1.42, 8.98, 126.94 ppm; 4.39 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 34 + H ILE 35 OK 100 100 - 100 - 4.2=100 HD2 LYS 44 - H ILE 35 OK 38 100 - 39 - 5.8/973=5, 2296/4.7=5...(17) HG2 ARG 27 - H ILE 35 OK 20 100 - 20 - 2071/3.6=4, 2078/4.2=4...(8) HD3 LYS 56 - H ILE 35 OK 20 60 - 33 - 3.0/159=8, 2071/3.6=5...(9) HB3 LYS 64 - H ILE 35 OK 17 85 - 20 - 2078/4.2=4, 5431/4919=3...(8) HG2 LYS 31 - H ILE 35 lone 7 93 - 7 - 2071/3.6=1, 664/4.6=1 HG2 LYS 65 - H ILE 35 lone 4 73 - 5 - Peak 158 from nnoeabs.peaks (1.51, 8.98, 126.94 ppm; 3.97 A): 3 out of 16 assignments used, quality = 0.92: * HG LEU 34 + H ILE 35 OK 85 100 - 85 - 3919=31, 2.1/3921=31...(14) HB2 LYS 56 + H ILE 35 OK 32 93 - 35 - 2.9/159=7, 3992/4.6=4...(12) HD2 LYS 56 + H ILE 35 OK 25 89 - 28 - 3.0/159=7, 2079/4.2=3...(8) HD2 LYS 17 - H ILE 35 OK 21 99 - 21 - 3.0/3921=8, 2072/3.6=2...(5) HD3 LYS 17 - H ILE 35 OK 21 99 - 21 - 3.0/3921=8, 2072/3.6=2...(5) HB3 LYS 44 - H ILE 35 OK 19 68 - 29 - 4.0/973=7, 3.0/669=5...(9) HG2 GLU 37 - H ILE 35 OK 17 95 - 18 - 4776/3920=3, 4779/3921=2...(10) QB ALA 71 - H ILE 35 OK 17 100 - 17 - 5625/4927=4, 5661/4.0=2...(5) HD3 LYS 64 - H ILE 35 OK 17 98 - 17 - 5439/4919=3, 2086/4.2=2...(6) HG3 ARG 27 - H ILE 35 OK 17 100 - 17 - 1794/4.2=4, 1.8/157=3...(6) HB3 LYS 26 - H ILE 35 OK 15 100 - 15 - 2.9/160=2, 2079/4.2=1...(5) HB2 ARG 45 - H ILE 35 OK 12 99 - 12 - 6021/3.0=2, 3.0/669=2...(4) HB2 LEU 85 - H ILE 35 lone 6 100 - 6 - QB ALA 72 - H ILE 35 lone 3 78 - 4 - HB3 LEU 87 - H ILE 35 lone 3 89 - 3 - HG LEU 30 - H ILE 35 lone 2 71 - 3 - Peak 159 from nnoeabs.peaks (1.06, 8.98, 126.94 ppm; 4.52 A): 2 out of 4 assignments used, quality = 0.97: * QD2 LEU 34 + H ILE 35 OK 94 100 - 94 - 3920=45, 4.0/155=37...(16) HG2 LYS 56 + H ILE 35 OK 51 99 - 51 - 2080/4.2=11, 2087/4.2=10...(11) QG2 VAL 66 - H ILE 35 OK 24 85 - 28 - 2.1/672=6, ~2114=4...(10) QG2 THR 38 - H ILE 35 OK 15 85 - 18 - 2087/4.2=3, 2080/4.2=3...(7) Peak 160 from nnoeabs.peaks (1.22, 8.98, 126.94 ppm; 3.03 A): 2 out of 8 assignments used, quality = 0.95: HG13 ILE 35 + H ILE 35 OK 81 95 - 85 - 4.5=30, 1.8/672=21...(18) * QD1 LEU 34 + H ILE 35 OK 73 100 - 73 - 3921=25, 4.0/155=17...(19) HD2 LYS 68 - H ILE 35 OK 28 98 - 28 - 2115/3.0=3, 2129/4.0=2...(14) HD3 LYS 68 - H ILE 35 OK 27 97 - 28 - 2115/3.0=3, 2129/4.0=2...(14) HG2 LYS 17 - H ILE 35 OK 22 78 - 27 - 3921=8, 2104/3.6=4...(11) HG3 LYS 26 - H ILE 35 OK 11 97 - 12 - 2081/4.2=1, 2088/4.2=1 QG2 THR 83 - H ILE 35 lone 5 100 - 5 - HG2 LYS 14 - H ILE 35 lone 3 92 - 3 - Peak 161 from nnoeabs.peaks (8.98, 7.56, 112.17 ppm; 2.90 A): 1 out of 2 assignments used, quality = 0.64: * H ILE 35 + H SER 36 OK 64 100 - 64 - 973=26, 3.6/4753=12...(13) H ILE 35 - HE22 GLN 55 poor 5 38 - 13 - 973=4, 3.6/6060=1...(4) Peak 162 from nnoeabs.peaks (4.36, 7.56, 112.17 ppm; 3.74 A): 1 out of 10 assignments used, quality = 1.00: * HA ILE 35 + H SER 36 OK 100 100 - 100 - 3.6=100 HA PRO 84 - H SER 36 OK 28 98 - 29 - 2118/4.4=6, 2125/4.4=6...(10) HA LYS 44 - H SER 36 OK 27 81 - 34 - 2246=7, 3.0/2266=5...(12) HA THR 13 - H SER 36 lone 7 73 - 10 - 4286/4.6=2, 6151/4.4=2 HA ILE 35 - HE22 GLN 55 poor 7 38 - 17 - 3922=3, 3.0/973=3...(8) HA ARG 45 - H SER 36 lone 7 100 - 7 - 2125/4.4=1 HA PRO 84 - HE22 GLN 55 lone 1 36 - 3 - HA THR 13 - HE22 GLN 55 lone 1 23 - 3 - HA LYS 44 - HE22 GLN 55 lone 0 26 - 2 - HA ARG 45 - HE22 GLN 55 lone 0 38 - 1 - Peak 163 from nnoeabs.peaks (1.87, 7.56, 112.17 ppm; 3.14 A): 4 out of 20 assignments used, quality = 0.84: * HB ILE 35 + H SER 36 OK 74 100 - 74 - 4.4=35, 3.9/161=17...(13) HB3 PRO 84 + H SER 36 OK 19 85 - 23 - 3550/3.6=5, 2.3/162=4...(9) HB3 GLN 58 + H SER 36 OK 14 87 - 17 - 4.0/4769=5, 5287/4.4=4...(6) HB3 GLU 37 + H SER 36 OK 12 96 - 12 - 4.1/974=6, 3.0/4752=1 HB2 GLU 49 - H SER 36 poor 9 63 - 15 - 4964/4.4=2, 4986/165=2...(5) HG3 PRO 19 - H SER 36 lone 8 99 - 8 - 4375/4.4=2, 2112/3.6=1 HB ILE 35 - HE22 GLN 55 poor 5 38 - 13 - 3923=2, 2.1/3924=2...(7) HG2 PRO 81 - H SER 36 lone 4 95 - 4 - HB3 LYS 78 - H SER 36 lone 4 100 - 4 - HB3 LYS 78 - HE22 GLN 55 lone 2 38 - 6 - 4239/3.5=3, 4239/4.5=2 HB3 MET 11 - H SER 36 lone 2 85 - 2 - HB2 MET 11 - H SER 36 lone 2 81 - 2 - HB3 GLU 37 - HE22 GLN 55 lone 1 34 - 3 - HB3 MET 11 - HE22 GLN 55 lone 1 28 - 3 - ~4250=1, ~4249=1 HB2 MET 11 - HE22 GLN 55 lone 1 26 - 3 - ~4250=1, ~4249=1 HG3 PRO 19 - HE22 GLN 55 lone 1 37 - 2 - HG2 PRO 81 - HE22 GLN 55 lone 1 33 - 2 - HB2 GLU 49 - HE22 GLN 55 lone 1 19 - 3 - HB3 PRO 84 - HE22 GLN 55 lone 1 28 - 2 - HB3 GLN 58 - HE22 GLN 55 lone 0 29 - 2 - Peak 164 from nnoeabs.peaks (0.82, 7.56, 112.17 ppm; 3.08 A): 3 out of 16 assignments used, quality = 0.95: * QG2 ILE 35 + H SER 36 OK 79 100 - 79 - 4.4=35, 4.0/161=16...(14) QG1 VAL 47 + H SER 36 OK 55 100 - 55 - 2.1/5970=14, 3.9/4769=10...(13) QG2 VAL 47 + H SER 36 OK 48 89 - 54 - 2.1/5970=14, 3.9/4769=10...(13) HG3 LYS 68 - H SER 36 OK 12 81 - 15 - 3.0/166=2, 3.0/166=2...(7) QD2 LEU 73 - H SER 36 lone 8 90 - 9 - 5714/3.6=4, 6147/4.4=2 HG3 LYS 68 - HE22 GLN 55 poor 6 26 - 22 - 5527/1.7=5, ~5525=4...(10) QD2 LEU 85 - H SER 36 lone 5 95 - 6 - 4.7/974=2 QG2 ILE 35 - HE22 GLN 55 poor 5 38 - 13 - 3924=2, 2.1/3923=2...(7) QD2 LEU 73 - HE22 GLN 55 poor 4 31 - 13 - 5708/1.7=4, ~5203=3...(4) HD2 LYS 26 - H SER 36 lone 3 68 - 4 - QG1 VAL 47 - HE22 GLN 55 lone 2 38 - 6 - 2.1/5970=1 QD2 LEU 87 - H SER 36 lone 2 83 - 2 - QG2 VAL 47 - HE22 GLN 55 lone 2 30 - 5 - 2.1/5970=1 QD2 LEU 85 - HE22 GLN 55 lone 0 33 - 1 - QD2 LEU 87 - HE22 GLN 55 lone 0 27 - 1 - HD2 LYS 26 - HE22 GLN 55 lone 0 21 - 1 - Peak 165 from nnoeabs.peaks (1.14, 7.56, 112.17 ppm; 3.90 A): 2 out of 4 assignments used, quality = 0.83: * HG12 ILE 35 + H SER 36 OK 80 100 - 80 - 4.5/161=22, 2114/3.6=22...(15) QG1 VAL 66 + H SER 36 OK 18 68 - 26 - 2.1/4750=5, 2114/3.6=4...(9) HG12 ILE 35 - HE22 GLN 55 poor 7 38 - 19 - 3925=3, 2.1/3927=3...(7) QG1 VAL 66 - HE22 GLN 55 poor 6 21 - 26 - 5472/1.7=4, ~5470=4...(8) Peak 166 from nnoeabs.peaks (1.23, 7.56, 112.17 ppm; 3.30 A): 8 out of 20 assignments used, quality = 0.95: * HG13 ILE 35 + H SER 36 OK 65 100 - 65 - 1.8/165=19, 4.5/161=15...(12) QD1 LEU 34 + H SER 36 OK 61 95 - 65 - 4688=20, 4.0/4753=14...(15) HD2 LYS 68 + H SER 36 OK 19 100 - 19 - 2129/4.4=3, 2115/3.6=3...(7) HD3 LYS 68 + H SER 36 OK 19 100 - 19 - 2129/4.4=3, 2115/3.6=3...(7) HG2 LYS 17 + H SER 36 OK 16 98 - 16 - 4688=4, 3921/4.7=3...(4) HD3 LYS 68 + HE22 GLN 55 OK 12 38 - 31 - ~5203=5, ~5527=4...(13) HD2 LYS 68 + HE22 GLN 55 OK 12 38 - 31 - ~5203=5, ~5527=4...(13) QG2 THR 83 + H SER 36 OK 11 89 - 12 - 3519/2.9=3, 3.2/676=3, ~3515=2 HG3 LYS 26 - H SER 36 lone 5 73 - 7 - HG13 ILE 35 - HE22 GLN 55 poor 5 38 - 13 - 1.8/165=2, 2.1/3927=2...(7) HB2 LEU 79 - HE22 GLN 55 poor 5 25 - 20 - 3.1/5869=8, ~5873=7...(4) QD1 LEU 34 - HE22 GLN 55 poor 4 33 - 12 - 4688=3, 2.1/4694=2...(4) HG2 LYS 14 - H SER 36 lone 2 63 - 3 - HB2 LEU 79 - H SER 36 lone 2 78 - 3 - HG2 LYS 17 - HE22 GLN 55 lone 1 36 - 3 - HB3 LEU 23 - HE22 GLN 55 lone 1 17 - 5 - ~5203=1 HB3 LEU 23 - H SER 36 lone 1 57 - 1 - HG3 LYS 26 - HE22 GLN 55 lone 1 23 - 2 - QG2 THR 83 - HE22 GLN 55 lone 0 30 - 1 - HG2 LYS 14 - HE22 GLN 55 lone 0 19 - 1 - Peak 167 from nnoeabs.peaks (0.65, 7.56, 112.17 ppm; 4.29 A): 2 out of 4 assignments used, quality = 0.95: * QD1 ILE 35 + H SER 36 OK 91 100 - 91 - 2.1/165=29, 2116/3.6=28...(17) QD2 LEU 12 + H SER 36 OK 41 97 - 43 - 2116/3.6=9, 2130/4.4=9...(9) QD1 ILE 35 - HE22 GLN 55 poor 9 38 - 24 - 3927=4, 2.1/3925=3...(8) QD2 LEU 12 - HE22 GLN 55 lone 2 34 - 5 - Peak 168 from nnoeabs.peaks (7.56, 8.32, 125.04 ppm; 5.17 A): 1 out of 4 assignments used, quality = 1.00: * H SER 36 + H GLU 37 OK 100 100 - 100 - 4.6=100 H LYS 44 - H GLU 37 OK 30 97 - 31 - 4793/4.5=12, 2160/4.5=7...(6) HD21 ASN 63 - H GLU 37 poor 9 78 - 11 - 2156/4.5=2, 2152/3.6=2...(4) HE22 GLN 55 - H GLU 37 poor 7 71 - 10 - 2156/4.5=2, 2160/4.5=2 Peak 169 from nnoeabs.peaks (4.56, 8.32, 125.04 ppm; 3.25 A): 1 out of 4 assignments used, quality = 0.84: * HA SER 36 + H GLU 37 OK 84 100 - 84 - 3.6=75, 3.0/170=16...(5) HA THR 83 - H GLU 37 lone 8 99 - 8 - 2161/4.5=2, 2157/4.5=2 HA HIS 10 - H GLU 37 lone 1 73 - 1 - HA ASP 88 - H GLU 37 lone 1 60 - 1 - Peak 170 from nnoeabs.peaks (3.75, 8.32, 125.04 ppm; 4.03 A): 2 out of 3 assignments used, quality = 0.91: * HB2 SER 36 + H GLU 37 OK 90 100 - 90 - 4.5=74, 3.0/169=33...(7) HA LYS 65 + H GLU 37 OK 14 89 - 15 - 677/4.6=3, 2154/3.6=3...(6) HA2 GLY 40 - H GLU 37 lone 5 95 - 5 - 677/4.6=1, 2154/3.6=1 Peak 171 from nnoeabs.peaks (3.57, 8.32, 125.04 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 36 + H GLU 37 OK 100 100 - 100 - 4.5=100 HD3 ARG 27 - H GLU 37 OK 21 92 - 22 - 2155/3.6=6, 678/4.6=4...(6) Peak 172 from nnoeabs.peaks (8.32, 8.48, 116.68 ppm; 3.88 A): 1 out of 7 assignments used, quality = 0.84: * H GLU 37 + H THR 38 OK 84 100 - 84 - 4.6=61, 2.9/173=38...(8) H LEU 85 - H THR 38 lone 5 97 - 5 - 4.3/175=1 H TYR 70 - H THR 38 lone 5 89 - 5 - 2176/4.4=1 H ALA 60 - H THR 38 lone 4 99 - 4 - H LYS 64 - H THR 38 lone 3 65 - 5 - H ALA 72 - H THR 38 lone 3 57 - 5 - 2.9/176=1 H GLY 16 - H THR 38 lone 1 63 - 1 - Peak 173 from nnoeabs.peaks (4.82, 8.48, 116.68 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.74: * HA GLU 37 + H THR 38 OK 74 100 - 75 - 3.6=58, 2.9/172=14...(8) Peak 174 from nnoeabs.peaks (1.81, 8.48, 116.68 ppm; 3.81 A): 3 out of 14 assignments used, quality = 0.95: * HB2 GLU 37 + H THR 38 OK 89 100 - 89 - 4.4=67, 3.0/173=36...(7) HG3 GLU 37 + H THR 38 OK 35 63 - 56 - 3.8/173=29, 3.0/175=15...(5) HB2 LYS 31 + H THR 38 OK 34 60 - 56 - 1.8/1938=11, 1928=10...(13) HB2 LYS 44 - H THR 38 OK 21 100 - 21 - 3.0/4784=8, 3.7/4802=5...(5) HB3 GLU 33 - H THR 38 lone 9 100 - 9 - 2051/3.0=1, ~2045=1 HB2 MET 48 - H THR 38 lone 8 78 - 10 - 2189/3.6=3, 3935=2, 2191/4.4=1 HG3 GLU 51 - H THR 38 lone 6 99 - 6 - 4.9/5087=1 HG2 GLU 51 - H THR 38 lone 6 99 - 6 - 4.9/5087=1 HB VAL 66 - H THR 38 lone 6 65 - 9 - 2171/3.6=3, 2173/4.4=1...(4) HB2 GLU 22 - H THR 38 lone 6 65 - 8 - 4450/4.0=2, 3848/4.6=2 HG LEU 76 - H THR 38 lone 4 99 - 4 - HB2 LYS 65 - H THR 38 lone 3 63 - 5 - 2171/3.6=1 HB2 ARG 28 - H THR 38 lone 2 60 - 4 - 4.0/976=2 HB2 LYS 91 - H THR 38 lone 2 76 - 2 - Peak 175 from nnoeabs.peaks (1.86, 8.48, 116.68 ppm; 4.07 A): 1 out of 9 assignments used, quality = 0.94: * HB3 GLU 37 + H THR 38 OK 94 100 - 94 - 4.4=81, 3.0/173=40...(6) HG3 PRO 19 - H THR 38 OK 16 99 - 16 - 4374/4.0=5, ~4345=3...(5) HB VAL 66 - H THR 38 OK 13 85 - 16 - 2177/3.6=6, 3933=3...(4) HB ILE 35 - H THR 38 OK 12 96 - 13 - 682/4.6=3, 2167/3.6=2...(4) HB2 GLU 22 - H THR 38 OK 11 85 - 13 - 4450/4.0=3, 3848/4.6=3...(4) HB3 PRO 84 - H THR 38 lone 9 99 - 9 - 4116/4.6=2, 2167/3.6=2 HB3 LYS 78 - H THR 38 lone 7 98 - 7 - 2167/3.6=1 HB2 GLU 49 - H THR 38 lone 6 90 - 7 - 2167/3.6=1 HG2 PRO 81 - H THR 38 lone 3 100 - 3 - Peak 176 from nnoeabs.peaks (1.50, 8.48, 116.68 ppm; 4.08 A): 6 out of 13 assignments used, quality = 0.94: * HG2 GLU 37 + H THR 38 OK 69 100 - 69 - 3.8/173=33, 3.0/175=16...(8) HG LEU 34 + H THR 38 OK 48 95 - 51 - 2.1/4781=14, 2.1/688=11...(12) HB2 ARG 45 + H THR 38 OK 33 99 - 33 - 6180=14, 3.0/4784=7...(8) HG3 ARG 27 + H THR 38 OK 29 90 - 33 - 1.8/4783=6, 2.9/177=3...(13) HB2 LYS 56 + H THR 38 OK 16 100 - 16 - 2.9/688=3, 4789/4.0=3...(6) HB3 LYS 26 + H THR 38 OK 10 90 - 11 - 2.9/4781=2, 1.8/4782=2 HD3 LYS 17 - H THR 38 lone 10 99 - 10 - 3.0/4781=2, 2168/3.6=1 HD2 LYS 17 - H THR 38 lone 10 99 - 10 - 3.0/4781=2, 2168/3.6=1 QB ALA 72 - H THR 38 lone 9 98 - 9 - 5675/5045=1 QB ALA 71 - H THR 38 lone 7 87 - 8 - 5663/5045=1 HB2 LEU 85 - H THR 38 lone 6 97 - 6 - 4.0/172=1, 3578/4.6=1 HD3 LYS 64 - H THR 38 lone 5 78 - 7 - HG LEU 79 - H THR 38 lone 1 65 - 2 - Peak 177 from nnoeabs.peaks (1.79, 8.48, 116.68 ppm; 3.95 A): 3 out of 17 assignments used, quality = 0.94: HB2 LYS 31 + H THR 38 OK 64 100 - 64 - 1928=16, 1.8/1938=12...(15) * HG3 GLU 37 + H THR 38 OK 61 100 - 61 - 3.8/173=31, 3.0/175=15...(6) HB2 GLU 37 + H THR 38 OK 57 63 - 92 - 4.4=74, 3.0/173=38...(6) HB2 ARG 27 - H THR 38 OK 30 96 - 31 - 2.9/4783=4, 3.0/686=3...(12) HB2 MET 48 - H THR 38 OK 16 99 - 16 - 2189/3.6=5, 3935=3...(4) HB2 LYS 44 - H THR 38 OK 13 65 - 20 - 3.0/4784=8, 3.7/4802=6 HD3 LYS 78 - H THR 38 lone 8 100 - 8 - 3350/4.4=1, 3.7/175=1 QE MET 11 - H THR 38 lone 6 85 - 7 - 5.3/4784=1, 4252/4.6=1 HB2 LYS 65 - H THR 38 lone 5 100 - 5 - HB2 ARG 28 - H THR 38 lone 5 100 - 5 - 4.0/976=2 HB3 GLU 33 - H THR 38 lone 5 65 - 8 - ~2045=1 HG2 GLU 51 - H THR 38 lone 5 83 - 6 - 4.9/5087=1 HG3 GLU 51 - H THR 38 lone 5 81 - 6 - 4.9/5087=1 QB ALA 74 - H THR 38 lone 4 96 - 4 - HB3 ARG 28 - H THR 38 lone 4 81 - 5 - 4.0/976=2 HB2 LYS 91 - H THR 38 lone 3 100 - 3 - HG LEU 76 - H THR 38 lone 3 83 - 3 - Peak 178 from nnoeabs.peaks (8.48, 8.38, 107.82 ppm; 5.45 A): 1 out of 2 assignments used, quality = 1.00: * H THR 38 + H GLY 39 OK 100 100 - 100 - 4.6=100 H LYS 31 - H GLY 39 OK 32 93 - 34 - 2194/3.6=13, 2202/4.2=8...(5) Peak 179 from nnoeabs.peaks (4.61, 8.38, 107.82 ppm; 4.11 A): 1 out of 10 assignments used, quality = 1.00: * HA THR 38 + H GLY 39 OK 100 100 - 100 - 3.6=100 HA LYS 31 - H GLY 39 OK 17 92 - 19 - 1918/4.6=7, 3.0/178=5...(4) HA ARG 27 - H GLY 39 OK 14 100 - 14 - 686/4.6=2, 2199/4.4=2...(4) HA ASN 24 - H GLY 39 OK 11 92 - 11 - 2.9/77=4, 3.6/1036=2, 4.8/1578=2 HA LEU 12 - H GLY 39 lone 5 100 - 5 - 2199/4.4=1, 2203/4.2=1 HA GLU 33 - H GLY 39 lone 4 83 - 4 - 2203/4.2=1, 2199/4.4=1 HA ASN 63 - H GLY 39 lone 3 97 - 3 - HA ASP 43 - H GLY 39 lone 2 99 - 2 - HA ASP 82 - H GLY 39 lone 2 100 - 2 - HA HIS 42 - H GLY 39 lone 1 83 - 2 - Peak 180 from nnoeabs.peaks (4.19, 8.38, 107.82 ppm; 4.17 A): 2 out of 2 assignments used, quality = 0.97: * HB THR 38 + H GLY 39 OK 94 100 - 94 - 4.4=84, 3.0/3936=24...(6) HA3 GLY 40 + H GLY 39 OK 50 85 - 59 - ~183=16, 2215=14...(9) Peak 181 from nnoeabs.peaks (1.08, 8.38, 107.82 ppm; 4.93 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 38 + H GLY 39 OK 100 100 - 100 - 4.2=100 QD2 LEU 34 - H GLY 39 OK 18 85 - 22 - 688/4.6=8, 2197/3.6=8 HG2 LYS 56 - H GLY 39 OK 11 96 - 12 - 688/4.6=3, 2197/3.6=3 QG2 THR 13 - H GLY 39 poor 10 76 - 13 - 2202/4.6=3, 2197/3.6=2...(5) HG3 LYS 14 - H GLY 39 lone 5 85 - 6 - Peak 182 from nnoeabs.peaks (8.38, 8.38, 108.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: H GLY 40 + H GLY 40 OK 100 100 - 100 Reference assignment not found: H GLY 39 - H GLY 40 Peak 183 from nnoeabs.peaks (3.72, 8.38, 108.25 ppm; 3.16 A): 1 out of 2 assignments used, quality = 0.82: * HA2 GLY 39 + H GLY 40 OK 82 100 - 82 - 3.5=72, 1.8/184=28...(7) HA LYS 65 - H GLY 40 lone 3 87 - 4 - 4175/4790=1 Peak 184 from nnoeabs.peaks (4.27, 8.38, 108.25 ppm; 3.45 A): 1 out of 7 assignments used, quality = 0.96: * HA3 GLY 39 + H GLY 40 OK 96 100 - 96 - 3.5=93, 1.8/183=38...(5) HA ALA 89 - H GLY 40 lone 5 85 - 6 - 4136=1, 4136/4.6=1 HA VAL 52 - H GLY 40 lone 1 100 - 1 - HA LYS 78 - H GLY 40 lone 1 92 - 1 - HA ALA 86 - H GLY 40 lone 1 83 - 1 - HA LEU 85 - H GLY 40 lone 1 96 - 1 - HA LEU 87 - H GLY 40 lone 1 63 - 1 - Peak 185 from nnoeabs.peaks (4.63, 7.99, 120.13 ppm; 4.20 A): 2 out of 11 assignments used, quality = 1.00: * HA HIS 42 + H ASP 43 OK 100 100 - 100 - 3.6=100 HA ASP 43 + H ASP 43 OK 65 65 - 100 - 3.0=100 HA ARG 27 - H ASP 43 OK 11 92 - 12 - 2226/4.5=3, 2222/4.5=2 HA ASP 82 - H ASP 43 poor 10 92 - 10 - 3501/4.0=2, 3.0/697=2...(5) HA ASN 63 - H ASP 43 lone 9 97 - 10 - 4.4/978=3 HA GLU 33 - H ASP 43 lone 5 100 - 5 - 4891/4922=1 HA LEU 12 - H ASP 43 lone 5 71 - 7 - HA ASN 24 - H ASP 43 lone 4 100 - 4 - HA THR 38 - H ASP 43 lone 3 83 - 4 - HA PHE 57 - H ASP 43 lone 2 83 - 2 - HA LYS 56 - H ASP 43 lone 1 60 - 2 - Peak 186 from nnoeabs.peaks (3.11, 7.99, 120.13 ppm; 5.75 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 42 + H ASP 43 OK 100 100 - 100 - 4.5=100 HE2 LYS 78 - H ASP 43 lone 5 89 - 5 - 2219/3.6=2 HE3 LYS 78 - H ASP 43 lone 4 87 - 5 - 2219/3.6=2 Peak 187 from nnoeabs.peaks (3.20, 7.99, 120.13 ppm; 5.96 A): 1 out of 4 assignments used, quality = 1.00: * HB3 HIS 42 + H ASP 43 OK 100 100 - 100 - 4.5=100 HD2 ARG 27 - H ASP 43 OK 20 87 - 22 - 2220/3.6=8, 2224/4.5=3...(9) HD3 ARG 28 - H ASP 43 lone 6 99 - 6 - 2220/3.6=2 HB2 PHE 80 - H ASP 43 lone 3 73 - 4 - Peak 189 from nnoeabs.peaks (7.99, 7.57, 121.44 ppm; 3.94 A): 2 out of 2 assignments used, quality = 0.80: * H ASP 43 + H LYS 44 OK 73 100 - 73 - 4.6=64, 3.0/190=19, 3.6/190=2 H LYS 68 + H LYS 44 OK 27 99 - 27 - 2234/3.6=5, 2238/4.2=4...(10) Peak 190 from nnoeabs.peaks (4.61, 7.57, 121.44 ppm; 3.56 A): 1 out of 11 assignments used, quality = 1.00: * HA ASP 43 + H LYS 44 OK 100 100 - 100 - 3.6=100 HA LEU 12 - H LYS 44 OK 14 100 - 14 - 3.0/703=2, ~4261=1, ~7=1...(7) HA LYS 31 - H LYS 44 OK 13 99 - 13 - 3.7/705=2, 3.7/706=2...(5) HA HIS 42 - H LYS 44 OK 12 65 - 18 - 3.6/189=15, 2243/4.2=1 HA ARG 27 - H LYS 44 lone 8 96 - 8 - 4.1/705=1, 4.1/702=1 HA THR 38 - H LYS 44 lone 7 99 - 7 - ~4784=3 HA ASN 63 - H LYS 44 lone 6 89 - 7 - 3.0/2809=1, 3.0/2815=1 HA ASP 82 - H LYS 44 lone 6 96 - 6 - 2239/4.2=1, 2243/4.2=1 HA GLU 33 - H LYS 44 lone 5 65 - 7 - 3.0/701=2 HA ASN 24 - H LYS 44 lone 2 78 - 3 - HA HIS 10 - H LYS 44 lone 1 76 - 1 - Peak 191 from nnoeabs.peaks (2.58, 7.57, 121.44 ppm; 4.81 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASP 43 + H LYS 44 OK 100 100 - 100 - 4.2=100 HB2 PHE 46 - H LYS 44 OK 29 99 - 29 - 4.2/5969=6, 2236/3.6=5...(8) HB3 PHE 46 - H LYS 44 OK 12 60 - 20 - 4.2/5969=6, 2236/3.6=3...(8) HB3 ASP 82 - H LYS 44 lone 9 92 - 10 - 2236/3.6=3, 697/4.6=2...(4) HB3 ASP 88 - H LYS 44 lone 5 99 - 5 - 2236/3.6=1, 697/4.6=1 Peak 192 from nnoeabs.peaks (2.44, 7.57, 121.44 ppm; 5.13 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 43 + H LYS 44 OK 100 100 - 100 - 4.2=100 HG3 MET 21 - H LYS 44 OK 33 83 - 40 - 4.0/4794=19, 1.8/4423=9...(9) HG3 GLU 25 - H LYS 44 lone 7 99 - 7 - 698/4.6=1, 2237/3.6=1 HG3 GLU 77 - H LYS 44 lone 7 81 - 9 - 1511/4794=3 Peak 193 from nnoeabs.peaks (5.16, 8.63, 119.94 ppm; 2.81 A): 1 out of 2 assignments used, quality = 0.67: * HA PHE 46 + H VAL 47 OK 67 100 - 68 - 3.6=49, 3.0/194=12...(9) HA PHE 46 - H GLN 58 poor 6 45 - 13 - 3948=5, 3.7/4646=2...(5) Peak 194 from nnoeabs.peaks (2.59, 8.63, 119.94 ppm; 3.59 A): 2 out of 8 assignments used, quality = 0.81: * HB2 PHE 46 + H VAL 47 OK 78 100 - 78 - 4.2=61, 3.0/193=32...(4) HB2 ASP 43 + H VAL 47 OK 12 99 - 12 - 4.2/5969=4, 2365/3.6=2...(4) HB2 PHE 46 - H GLN 58 poor 8 45 - 16 - 3.0/3948=5, 2.4/4646=4...(4) HB3 ASP 82 - H VAL 47 lone 5 99 - 5 - 2365/3.6=1, 2385/4.8=1 HB3 ASP 88 - H VAL 47 lone 3 100 - 3 - HB2 ASP 43 - H GLN 58 lone 1 43 - 2 - HB3 ASP 82 - H GLN 58 lone 0 43 - 1 - HB3 ASP 88 - H GLN 58 lone 0 45 - 1 - Peak 195 from nnoeabs.peaks (2.55, 8.63, 119.94 ppm; 3.72 A): 2 out of 6 assignments used, quality = 0.89: * HB3 PHE 46 + H VAL 47 OK 83 100 - 84 - 4.2=68, 3.0/193=34...(7) HG2 MET 48 + H VAL 47 OK 32 81 - 40 - 2430/4.7=12, ~4830=8...(13) HB3 PHE 46 - H GLN 58 poor 9 45 - 19 - 3.0/3948=5, 2.4/4646=5...(5) HB2 ASP 43 - H VAL 47 lone 6 60 - 10 - 4.2/5969=4, 2371/4.2=1...(4) HG2 MET 48 - H GLN 58 poor 4 31 - 11 - 5.1/198=5, 3.3/4921=1 HB2 ASP 43 - H GLN 58 lone 0 21 - 2 - Peak 197 from nnoeabs.peaks (7.02, 8.63, 119.94 ppm; 4.44 A): 2 out of 6 assignments used, quality = 0.97: * QD PHE 46 + H VAL 47 OK 94 100 - 94 - 4.8=78, 3.7/193=36...(7) QE PHE 80 + H VAL 47 OK 53 98 - 54 - 4716/3.6=25, 2378/4.2=8...(8) QD PHE 46 - H GLN 58 OK 14 45 - 30 - 4646=9, 2.4/3950=6...(7) QE PHE 80 - H GLN 58 poor 6 42 - 14 - 4717/4.7=5, 4716/3948=2 HD2 HIS 10 - H VAL 47 lone 4 92 - 5 - HD2 HIS 10 - H GLN 58 lone 1 37 - 2 - Peak 198 from nnoeabs.peaks (8.63, 9.23, 125.43 ppm; 4.49 A): 2 out of 2 assignments used, quality = 0.99: * H VAL 47 + H MET 48 OK 98 100 - 98 - 4.7=90, 3.0/3953=42...(17) H GLN 58 + H MET 48 OK 65 89 - 74 - 3.0/4899=32, 4.7/5337=28...(12) Peak 199 from nnoeabs.peaks (5.04, 9.23, 125.43 ppm; 2.75 A): 2 out of 2 assignments used, quality = 0.75: * HA VAL 47 + H MET 48 OK 72 100 - 72 - 3.5=47, 3.2/3956=9...(13) HA PHE 80 + H MET 48 OK 12 100 - 12 - 2395/4.4=2, 710/4.7=2...(7) Peak 200 from nnoeabs.peaks (1.93, 9.23, 125.43 ppm; 3.84 A): 2 out of 12 assignments used, quality = 0.99: * HB VAL 47 + H MET 48 OK 92 100 - 92 - 4.4=65, 3.0/3953=33...(15) QE MET 48 + H MET 48 OK 86 100 - 86 - 2445/3.0=28, 3.3/719=26...(16) HB2 GLU 33 - H MET 48 OK 38 96 - 40 - 4.1/980=7, 2044/4.6=7...(13) HG3 GLU 49 - H MET 48 OK 34 100 - 35 - 5.0/980=9, 4942/4899=5...(12) HB2 LEU 76 - H MET 48 OK 20 92 - 22 - 4.0/4902=2, 2429/4.0=2...(10) HG3 PRO 81 - H MET 48 OK 16 97 - 17 - 5913/3.5=5, 711/4.7=2...(5) HG3 PRO 84 - H MET 48 OK 11 87 - 13 - 2.3/4872=3, 209/4.6=2 HD2 LYS 78 - H MET 48 OK 11 97 - 11 - 1.8/716=1, 2429/4.0=1...(4) HB VAL 20 - H MET 48 lone 9 99 - 9 - HB3 GLU 22 - H MET 48 lone 6 96 - 7 - HG2 PRO 19 - H MET 48 lone 6 60 - 10 - 2.3/4872=3 HB2 GLU 77 - H MET 48 lone 2 63 - 3 - Peak 201 from nnoeabs.peaks (0.84, 9.23, 125.43 ppm; 2.97 A): 4 out of 9 assignments used, quality = 0.94: * QG2 VAL 47 + H MET 48 OK 68 100 - 68 - 4.3=32, 3.2/199=20...(13) QG1 VAL 47 + H MET 48 OK 59 85 - 69 - 4.3=32, 3.2/199=20...(16) QG2 ILE 35 + H MET 48 OK 44 89 - 50 - 4708/3.0=11, ~4705=6...(16) HD2 LYS 26 + H MET 48 OK 12 98 - 12 - 3.0/718=2, 3.0/718=2...(4) QD2 LEU 73 - H MET 48 lone 8 100 - 8 - 3.1/717=2 QD2 LEU 85 - H MET 48 lone 5 100 - 5 - QD2 LEU 87 - H MET 48 lone 3 100 - 3 - QB ALA 75 - H MET 48 lone 3 63 - 5 - 3.6/4902=1 QD2 LEU 30 - H MET 48 lone 1 63 - 1 - Peak 202 from nnoeabs.peaks (0.82, 9.23, 125.43 ppm; 2.97 A): 3 out of 8 assignments used, quality = 0.95: * QG1 VAL 47 + H MET 48 OK 72 100 - 72 - 4.3=32, 3.2/199=20...(19) QG2 VAL 47 + H MET 48 OK 58 85 - 68 - 4.3=32, 3.2/199=20...(14) QG2 ILE 35 + H MET 48 OK 54 100 - 54 - 4708/3.0=12, ~4705=6...(17) HG3 LYS 68 - H MET 48 OK 28 85 - 33 - 1.8/4844=6, 3.9/4871=4...(13) HD2 LYS 26 - H MET 48 poor 7 63 - 11 - 3.0/718=2, 3.0/718=2...(4) QD2 LEU 73 - H MET 48 lone 7 87 - 8 - 3.1/717=2 QD2 LEU 85 - H MET 48 lone 5 92 - 5 - QD2 LEU 87 - H MET 48 lone 2 78 - 3 - Peak 203 from nnoeabs.peaks (9.23, 9.43, 121.51 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * H MET 48 + H GLU 49 OK 100 100 - 100 - 4.6=100 Peak 204 from nnoeabs.peaks (5.61, 9.43, 121.51 ppm; 2.91 A): 1 out of 1 assignment used, quality = 0.79: * HA MET 48 + H GLU 49 OK 79 100 - 79 - 3.6=54, 3.0/206=11...(16) Peak 205 from nnoeabs.peaks (1.79, 9.43, 121.51 ppm; 3.40 A): 6 out of 17 assignments used, quality = 0.93: * HB2 MET 48 + H GLU 49 OK 78 100 - 78 - 4.7=39, 3.0/204=30...(8) HB3 GLU 33 + H GLU 49 OK 40 81 - 50 - 1.8/2044=13, 2050=12...(12) HG3 GLU 37 + H GLU 49 OK 23 99 - 24 - 2417/3.6=6, 2416/4.6=4...(7) HD3 LYS 78 + H GLU 49 OK 12 97 - 12 - 1.8/726=2, 3350/3.7=1 HB2 LYS 31 + H GLU 49 OK 11 99 - 11 - 4.1/970=4, 4604/5043=2 HB2 GLU 37 + H GLU 49 OK 10 78 - 13 - 3.0/3958=3, 2411/3.6=2...(5) HB2 LYS 44 - H GLU 49 poor 9 81 - 11 - 2050=2, 2.9/6182=1, 2.9/6183=1 HG LEU 76 - H GLU 49 lone 8 93 - 8 - 2411/3.6=1, 2425/4.7=1 HB2 LYS 65 - H GLU 49 lone 7 99 - 7 - 2425/4.7=2, 2411/3.6=1 HB2 ARG 27 - H GLU 49 lone 5 87 - 6 - QB ALA 74 - H GLU 49 lone 5 87 - 6 - HG2 GLU 51 - H GLU 49 lone 4 93 - 5 - HG3 GLU 51 - H GLU 49 lone 4 92 - 5 - HB2 LYS 91 - H GLU 49 lone 4 100 - 4 - QE MET 11 - H GLU 49 lone 3 71 - 4 - 3.4/6181=1 HB2 ARG 28 - H GLU 49 lone 2 99 - 2 - HB3 ARG 28 - H GLU 49 lone 1 65 - 2 - Peak 206 from nnoeabs.peaks (1.75, 9.43, 121.51 ppm; 3.63 A): 2 out of 9 assignments used, quality = 0.86: * HB3 MET 48 + H GLU 49 OK 84 100 - 84 - 4.7=47, 3.0/204=34...(9) HB2 LEU 73 + H GLU 49 OK 10 100 - 10 - 2412/3.6=2, 717/4.6=2...(4) HB3 LYS 65 - H GLU 49 poor 9 90 - 11 - 2412/3.6=3, 2419/4.7=2...(4) HB3 GLN 55 - H GLU 49 lone 9 100 - 9 - 2412/3.6=2 QE MET 11 - H GLU 49 lone 6 89 - 6 - 3.4/6181=1 HB2 ARG 27 - H GLU 49 lone 5 73 - 7 - 2412/3.6=1 QB ALA 74 - H GLU 49 lone 5 73 - 7 - HB2 LYS 17 - H GLU 49 lone 5 57 - 9 - 2.9/4953=2, 2412/3.6=1 HB3 ARG 28 - H GLU 49 lone 4 92 - 4 - Peak 207 from nnoeabs.peaks (2.53, 9.43, 121.51 ppm; 4.57 A): 2 out of 5 assignments used, quality = 0.96: * HG2 MET 48 + H GLU 49 OK 90 100 - 90 - 1.8/208=38, 4.0/204=37...(14) HB2 TYR 32 + H GLU 49 OK 61 90 - 67 - 3907=17, 2.5/4598=14...(15) HE3 LYS 26 - H GLU 49 OK 22 97 - 22 - 2413/3.6=4, 718/4.6=3...(7) HE2 LYS 26 - H GLU 49 OK 20 93 - 21 - 2413/3.6=4, 2427/4.7=3...(7) HB3 PHE 46 - H GLU 49 OK 12 81 - 15 - 718/4.6=3, 2413/3.6=2...(5) Peak 208 from nnoeabs.peaks (2.35, 9.43, 121.51 ppm; 4.69 A): 1 out of 1 assignment used, quality = 0.91: * HG3 MET 48 + H GLU 49 OK 91 100 - 91 - 4.0/204=39, 719/4.6=28...(15) Peak 209 from nnoeabs.peaks (1.93, 9.43, 121.51 ppm; 3.61 A): 4 out of 12 assignments used, quality = 0.99: * QE MET 48 + H GLU 49 OK 78 100 - 78 - 2445/3.6=22, 3962=19...(21) HG3 GLU 49 + H GLU 49 OK 76 100 - 76 - 5.0=38, 1.8/2469=15...(17) HB2 GLU 33 + H GLU 49 OK 61 96 - 64 - 2044=18, 1.8/2050=12...(19) HB VAL 47 + H GLU 49 OK 46 100 - 46 - 4.4/980=9, 2.1/4955=7...(15) HG3 PRO 84 - H GLU 49 OK 31 87 - 35 - 2.3/723=5, 2.3/6181=4...(12) HG3 PRO 81 - H GLU 49 OK 21 97 - 21 - ~5296=3, 1.8/723=3...(9) HD2 LYS 78 - H GLU 49 OK 16 97 - 16 - 1.8/205=2, 2468/3.7=2...(6) HB2 LEU 76 - H GLU 49 OK 13 92 - 14 - 2429/4.7=2, 3226/4.7=2...(4) HB3 GLU 22 - H GLU 49 OK 13 96 - 13 - 1.8/723=2, 2462/3.7=2...(5) HB VAL 20 - H GLU 49 lone 9 99 - 9 - HG2 PRO 19 - H GLU 49 lone 4 60 - 7 - HB2 GLU 77 - H GLU 49 lone 3 63 - 4 - Peak 210 from nnoeabs.peaks (9.43, 9.16, 125.16 ppm; 4.34 A): 2 out of 2 assignments used, quality = 0.99: * H GLU 49 + H VAL 50 OK 97 100 - 97 - 4.6=82, 3.0/211=45...(15) H GLU 33 + H VAL 50 OK 76 97 - 79 - 6062/3.0=33, 4649/4.0=23...(16) Peak 211 from nnoeabs.peaks (5.67, 9.16, 125.16 ppm; 2.78 A): 1 out of 1 assignment used, quality = 0.77: * HA GLU 49 + H VAL 50 OK 77 100 - 77 - 3.6=47, 5034/4.0=10...(15) Peak 212 from nnoeabs.peaks (1.84, 9.16, 125.16 ppm; 3.76 A): 1 out of 9 assignments used, quality = 0.94: * HB2 GLU 49 + H VAL 50 OK 94 100 - 94 - 4.3=66, 3.0/211=37...(14) HB3 PRO 84 - H VAL 50 OK 22 98 - 23 - 2453/3.6=5, 2465/4.3=4...(8) HG2 PRO 81 - H VAL 50 OK 18 92 - 20 - 2.3/4992=4, 1.8/215=4...(7) HB2 GLU 22 - H VAL 50 lone 10 100 - 10 - 2453/3.6=2, 1.8/215=2 HB ILE 35 - H VAL 50 poor 9 63 - 15 - 2453/3.6=5, 2465/4.3=4...(5) HB3 LYS 78 - H VAL 50 poor 8 71 - 12 - 4.0/5027=2, 2465/4.3=2...(5) HB3 GLU 37 - H VAL 50 lone 4 90 - 4 - HG3 PRO 19 - H VAL 50 lone 4 78 - 5 - HB VAL 66 - H VAL 50 lone 3 100 - 3 - Peak 213 from nnoeabs.peaks (2.02, 9.16, 125.16 ppm; 3.30 A): 2 out of 9 assignments used, quality = 0.96: * HB3 GLU 49 + H VAL 50 OK 84 100 - 84 - 4.3=45, 3.0/211=30...(13) HG2 GLU 49 + H VAL 50 OK 75 100 - 75 - 3.7/211=24, 3966=20...(14) HG2 PRO 84 - H VAL 50 OK 12 78 - 15 - 2.3/212=3, 1.8/215=2...(6) HB2 LEU 23 - H VAL 50 OK 11 100 - 11 - 3.1/4990=3, 5013/4.0=3 HB2 LEU 34 - H VAL 50 poor 10 76 - 13 - 4.0/5028=3, 724/4.6=2...(6) HB2 LYS 78 - H VAL 50 lone 6 73 - 9 - 1.8/212=1, 4.0/5027=1, 3.7/215=1 HB2 GLN 55 - H VAL 50 lone 6 85 - 7 - 3.9/5197=3 HG3 GLN 55 - H VAL 50 lone 6 83 - 7 - 4.9/5197=2 HB2 GLU 25 - H VAL 50 lone 2 71 - 2 - Peak 214 from nnoeabs.peaks (2.02, 9.16, 125.16 ppm; 3.30 A): 2 out of 10 assignments used, quality = 0.96: HB3 GLU 49 + H VAL 50 OK 84 100 - 84 - 4.3=45, 3.0/211=30...(13) * HG2 GLU 49 + H VAL 50 OK 75 100 - 75 - 3.7/211=24, 3966=20...(14) HG2 PRO 84 - H VAL 50 OK 12 83 - 15 - 2.3/212=3, 1.8/215=2...(6) HB2 LEU 23 - H VAL 50 OK 11 100 - 11 - 3.1/4990=3, 5013/4.0=3 HB2 LEU 34 - H VAL 50 OK 11 81 - 13 - 4.0/5028=3, 724/4.6=2...(6) HB2 LYS 78 - H VAL 50 lone 7 78 - 9 - 1.8/212=1, 4.0/5027=1, 3.7/215=1 HB2 GLN 55 - H VAL 50 lone 6 81 - 7 - 3.9/5197=3 HG3 GLN 55 - H VAL 50 lone 5 78 - 7 - 4.9/5197=2 HE3 LYS 68 - H VAL 50 lone 3 60 - 5 - 5568/4638=1 HB2 GLU 25 - H VAL 50 lone 2 76 - 3 - Peak 215 from nnoeabs.peaks (1.93, 9.16, 125.16 ppm; 3.46 A): 8 out of 10 assignments used, quality = 0.93: * HG3 GLU 49 + H VAL 50 OK 78 100 - 78 - 3.7/211=26, 3967=20...(14) QE MET 48 + H VAL 50 OK 23 100 - 23 - 3962/4.6=7, 4869/4.0=4...(8) HB2 GLU 33 + H VAL 50 OK 22 90 - 24 - 4.1/210=7, 2044/4.6=6...(8) HG3 PRO 81 + H VAL 50 OK 18 99 - 18 - 2.3/4992=3, 1.8/212=3...(6) HG3 PRO 84 + H VAL 50 OK 15 78 - 19 - 2.3/212=4, 2468/4.3=3...(8) HB2 LEU 76 + H VAL 50 OK 11 85 - 13 - 3.1/730=4, 5014/4.0=2...(4) HB VAL 47 + H VAL 50 OK 11 100 - 11 - 2456/3.6=2, 2468/4.3=2...(4) HD2 LYS 78 + H VAL 50 OK 10 99 - 10 - 2468/4.3=1, 2462/4.3=1 HB3 GLU 22 - H VAL 50 lone 8 90 - 9 - 1.8/212=2, 2462/4.3=1 HB VAL 20 - H VAL 50 lone 7 97 - 8 - 2.1/4418=2 Peak 216 from nnoeabs.peaks (9.16, 8.06, 129.13 ppm; 4.38 A): 2 out of 3 assignments used, quality = 0.99: * H VAL 50 + H GLU 51 OK 97 100 - 97 - 4.7=84, 3.0/217=46...(10) H ASP 53 + H GLU 51 OK 64 99 - 65 - 4.6/221=23, 2496/4.3=9...(14) HE ARG 27 - H GLU 51 OK 11 65 - 17 - 984/4.6=4, 2496/4.3=3...(5) Peak 217 from nnoeabs.peaks (4.75, 8.06, 129.13 ppm; 2.70 A): 1 out of 1 assignment used, quality = 0.72: * HA VAL 50 + H GLU 51 OK 72 100 - 72 - 3.6=43, 3.2/220=18...(12) Peak 218 from nnoeabs.peaks (1.32, 8.06, 129.13 ppm; 3.70 A): 1 out of 8 assignments used, quality = 0.94: * HB VAL 50 + H GLU 51 OK 94 100 - 94 - 4.5=57, 2.1/220=43...(12) HG3 LYS 31 - H GLU 51 OK 27 71 - 38 - 4.6/6067=13, 3.0/735=4...(12) HB2 LYS 26 - H GLU 51 OK 15 90 - 16 - 2498/4.3=4, 2493/4.3=3...(6) HG2 LYS 91 - H GLU 51 lone 6 68 - 9 - 3.0/735=2, 3.0/736=1 HG3 LYS 91 - H GLU 51 lone 6 68 - 9 - 3.0/735=2, 3.0/736=1 HG3 ARG 45 - H GLU 51 lone 5 99 - 5 - QB ALA 60 - H GLU 51 lone 4 92 - 4 - QB ALA 86 - H GLU 51 lone 2 90 - 3 - Peak 219 from nnoeabs.peaks (0.70, 8.06, 129.13 ppm; 3.92 A): 1 out of 3 assignments used, quality = 0.98: * QG1 VAL 50 + H GLU 51 OK 98 100 - 98 - 4.3=78, 2.1/220=46...(18) QD2 LEU 76 - H GLU 51 OK 24 85 - 29 - 2499/4.3=4, 5062/3.0=4...(12) HG3 LYS 64 - H GLU 51 OK 19 98 - 19 - 2499/4.3=4, 2489/4.5=4...(5) Peak 220 from nnoeabs.peaks (0.26, 8.06, 129.13 ppm; 2.90 A): 1 out of 1 assignment used, quality = 0.80: * QG2 VAL 50 + H GLU 51 OK 80 100 - 80 - 4.3=32, 3.2/217=22...(19) Peak 221 from nnoeabs.peaks (8.06, 9.38, 126.81 ppm; 3.50 A): 2 out of 2 assignments used, quality = 0.88: * H GLU 51 + H VAL 52 OK 86 100 - 86 - 4.6=43, 3.0/222=34...(18) H THR 83 + H VAL 52 OK 13 97 - 13 - 2501/3.6=4, 2507/4.6=3 Peak 222 from nnoeabs.peaks (5.29, 9.38, 126.81 ppm; 2.74 A): 1 out of 1 assignment used, quality = 0.77: * HA GLU 51 + H VAL 52 OK 77 100 - 78 - 3.6=46, 3.0/221=14...(18) Peak 223 from nnoeabs.peaks (1.97, 9.38, 126.81 ppm; 4.04 A): 1 out of 16 assignments used, quality = 0.94: * HB2 GLU 51 + H VAL 52 OK 94 100 - 94 - 4.6=66, 3.0/222=41...(12) HB2 LYS 78 - H VAL 52 OK 24 68 - 35 - 3.0/739=7, 2.8/224=5...(13) HB2 LEU 76 - H VAL 52 OK 13 78 - 17 - 3.1/5113=4, 3.0/226=2...(6) HB2 GLU 33 - H VAL 52 OK 12 71 - 17 - 4.2/5092=3, 1.8/226=3...(6) HB2 LEU 34 - H VAL 52 poor 10 65 - 15 - 4.0/5092=3, 2503/3.6=2...(7) HB2 GLU 77 - H VAL 52 lone 9 98 - 9 - 4.1/5093=4, 4083/4652=1 HG2 PRO 19 - H VAL 52 lone 6 99 - 6 - 4373/5235=2, 2503/3.6=1 HB2 GLN 58 - H VAL 52 lone 5 99 - 5 - 2503/3.6=1 HB2 PRO 19 - H VAL 52 lone 5 96 - 5 - 2503/3.6=1 HB3 PRO 19 - H VAL 52 lone 5 90 - 5 - 2503/3.6=1 HB3 PRO 81 - H VAL 52 lone 4 100 - 4 - HB3 GLU 22 - H VAL 52 lone 4 71 - 5 - 4.0/5233=1 HE3 LYS 68 - H VAL 52 lone 4 85 - 4 - HG3 PRO 84 - H VAL 52 lone 3 85 - 3 - HG2 PRO 84 - H VAL 52 lone 2 63 - 3 - HB2 GLU 25 - H VAL 52 lone 1 71 - 2 - Peak 224 from nnoeabs.peaks (1.68, 9.38, 126.81 ppm; 3.95 A): 2 out of 11 assignments used, quality = 0.95: * HB3 GLU 51 + H VAL 52 OK 93 100 - 93 - 4.6=62, 3.0/222=40...(16) HG2 LYS 78 + H VAL 52 OK 34 87 - 39 - 3.7/739=5, 3317/4652=4...(17) HB2 LEU 30 - H VAL 52 OK 32 99 - 32 - 4581/5114=7, 735/4.6=4...(12) HB3 ARG 27 - H VAL 52 OK 26 92 - 28 - 6074/4.0=8, 6074/4.0=7...(8) HB3 LYS 31 - H VAL 52 OK 13 89 - 15 - 2504/3.6=3, 735/4.6=3...(4) HD3 LYS 31 - H VAL 52 OK 10 97 - 11 - 2504/3.6=2, 735/4.6=2...(4) HD2 LYS 31 - H VAL 52 OK 10 96 - 11 - 2504/3.6=2, 735/4.6=2...(4) HB3 LYS 91 - H VAL 52 lone 8 100 - 8 - 2504/3.6=2, 2510/4.6=1...(4) HB3 LEU 73 - H VAL 52 lone 5 96 - 5 - HG3 ARG 28 - H VAL 52 lone 3 81 - 4 - HG2 ARG 28 - H VAL 52 lone 3 76 - 3 - Peak 225 from nnoeabs.peaks (1.81, 9.38, 126.81 ppm; 3.45 A): 6 out of 13 assignments used, quality = 0.95: * HG2 GLU 51 + H VAL 52 OK 69 100 - 69 - 3.9/222=25, 3975=15...(13) HG3 GLU 51 + H VAL 52 OK 69 100 - 69 - 3.9/222=25, 3976=15...(13) HD3 LYS 78 + H VAL 52 OK 19 73 - 26 - 2.9/224=3, 4.7/739=3...(11) HG LEU 76 + H VAL 52 OK 14 100 - 14 - 2.1/5113=3, 3.0/223=1...(5) HB3 GLU 33 + H VAL 52 OK 13 99 - 13 - 4.2/5092=2, 1.8/223=2...(5) HB2 LYS 31 + H VAL 52 OK 12 81 - 15 - 4604/5114=3, 736/4.6=2...(5) HB2 LYS 44 - H VAL 52 lone 7 99 - 7 - 2506/3.6=1 HB2 LYS 91 - H VAL 52 lone 5 92 - 6 - 1.8/224=1 HB2 MET 48 - H VAL 52 lone 4 93 - 5 - HB2 LYS 65 - H VAL 52 lone 3 83 - 4 - HB2 ARG 28 - H VAL 52 lone 3 81 - 4 - HB2 GLU 37 - H VAL 52 lone 3 99 - 3 - HG3 GLU 37 - H VAL 52 lone 3 83 - 3 - Peak 226 from nnoeabs.peaks (1.81, 9.38, 126.81 ppm; 3.45 A): 6 out of 13 assignments used, quality = 0.95: HG2 GLU 51 + H VAL 52 OK 69 100 - 69 - 3.9/222=25, 3975=15...(13) * HG3 GLU 51 + H VAL 52 OK 69 100 - 69 - 3.9/222=25, 3976=15...(13) HD3 LYS 78 + H VAL 52 OK 18 71 - 25 - 2.9/224=3, 4.7/739=3...(11) HG LEU 76 + H VAL 52 OK 14 100 - 14 - 2.1/5113=3, 3.0/223=1...(5) HB3 GLU 33 + H VAL 52 OK 13 99 - 13 - 4.2/5092=2, 1.8/223=2...(5) HB2 LYS 31 + H VAL 52 OK 12 78 - 15 - 4604/5114=3, 736/4.6=2...(5) HB2 LYS 44 - H VAL 52 lone 7 99 - 7 - 2506/3.6=1 HB2 LYS 91 - H VAL 52 lone 5 90 - 6 - 1.8/224=1 HB2 MET 48 - H VAL 52 lone 4 92 - 4 - HB2 LYS 65 - H VAL 52 lone 3 81 - 4 - HB2 ARG 28 - H VAL 52 lone 3 78 - 4 - HB2 GLU 37 - H VAL 52 lone 3 99 - 3 - HG3 GLU 37 - H VAL 52 lone 3 81 - 3 - Peak 227 from nnoeabs.peaks (9.38, 9.15, 127.12 ppm; 4.25 A): 1 out of 1 assignment used, quality = 0.95: * H VAL 52 + H ASP 53 OK 95 100 - 95 - 4.6=77, 3.0/228=35...(16) Peak 228 from nnoeabs.peaks (4.27, 9.15, 127.12 ppm; 2.54 A): 1 out of 7 assignments used, quality = 0.60: * HA VAL 52 + H ASP 53 OK 60 100 - 60 - 3.6=36, 6130/2.9=11...(7) HA LYS 78 - H ASP 53 lone 6 92 - 6 - 739/4.6=1 HA LEU 85 - H ASP 53 lone 5 96 - 5 - HA LEU 87 - H ASP 53 lone 4 63 - 7 - 2551=1, 4.1/5133=1 HA ALA 89 - H ASP 53 lone 1 85 - 1 - HA ALA 86 - H ASP 53 lone 1 83 - 1 - HA3 GLY 39 - H ASP 53 lone 1 100 - 1 - Peak 229 from nnoeabs.peaks (2.16, 9.15, 127.12 ppm; 4.55 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 52 + H ASP 53 OK 100 100 - 100 - 4.4=100 HG2 GLN 55 + H ASP 53 OK 56 100 - 56 - 4.9/5143=20, 2533/3.6=11...(11) HB3 MET 21 - H ASP 53 OK 16 96 - 17 - 2533/3.6=3, 740/4.6=2...(7) Peak 230 from nnoeabs.peaks (0.94, 9.15, 127.12 ppm; 3.01 A): 2 out of 2 assignments used, quality = 0.89: * QG1 VAL 52 + H ASP 53 OK 67 100 - 67 - 4.3=35, 3.2/228=20...(11) QG2 VAL 52 + H ASP 53 OK 67 100 - 67 - 4.3=35, 3.2/228=20...(11) Peak 231 from nnoeabs.peaks (0.94, 9.15, 127.12 ppm; 3.01 A): 2 out of 3 assignments used, quality = 0.89: * QG2 VAL 52 + H ASP 53 OK 67 100 - 67 - 4.3=35, 3.2/228=20...(11) QG1 VAL 52 + H ASP 53 OK 66 100 - 67 - 4.3=35, 3.2/228=20...(11) QD2 LEU 23 - H ASP 53 lone 6 68 - 9 - 4480/2496=1 Peak 232 from nnoeabs.peaks (9.15, 8.78, 103.19 ppm; 3.41 A): 2 out of 3 assignments used, quality = 0.81: * H ASP 53 + H GLY 54 OK 76 100 - 76 - 4.6=40, 2.9/233=21...(10) H VAL 50 + H GLY 54 OK 18 99 - 18 - 2559/4.6=3, 5028=2...(5) HE ARG 27 - H GLY 54 lone 8 85 - 10 - 6004/5157=1, 6004/5157=1...(4) Peak 233 from nnoeabs.peaks (4.24, 8.78, 103.19 ppm; 3.00 A): 2 out of 6 assignments used, quality = 0.76: * HA ASP 53 + H GLY 54 OK 72 100 - 72 - 3.6=59, 2.9/232=15...(5) HA LEU 30 + H GLY 54 OK 13 96 - 14 - 3981=4, 744/4.6=2...(6) HA LEU 87 - H GLY 54 lone 8 99 - 8 - 3981=2, 5150/4.5=1...(5) HA LYS 78 - H GLY 54 lone 7 85 - 8 - 3.0/5158=2, 3.7/5156=1 HA LEU 85 - H GLY 54 lone 3 78 - 4 - HA ALA 89 - H GLY 54 lone 1 92 - 1 - Peak 234 from nnoeabs.peaks (2.90, 8.78, 103.19 ppm; 4.36 A): 1 out of 8 assignments used, quality = 0.92: * HB2 ASP 53 + H GLY 54 OK 92 100 - 92 - 4.6=84, 3.0/233=29...(6) HB3 PHE 80 - H GLY 54 lone 9 95 - 10 - 745/4.6=2, 2561/4.6=2...(4) HB2 ASN 24 - H GLY 54 lone 4 71 - 6 - HE3 LYS 65 - H GLY 54 lone 4 96 - 4 - HE2 LYS 65 - H GLY 54 lone 3 90 - 4 - HB2 ASN 63 - H GLY 54 lone 3 89 - 4 - HE3 LYS 14 - H GLY 54 lone 3 95 - 3 - HE2 LYS 14 - H GLY 54 lone 2 90 - 3 - Peak 235 from nnoeabs.peaks (2.78, 8.78, 103.19 ppm; 4.72 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 53 + H GLY 54 OK 100 100 - 100 - 4.6=100 HB3 PHE 57 - H GLY 54 OK 29 81 - 36 - 2.5/4649=6, 746/4.6=5...(11) HE3 LYS 56 - H GLY 54 OK 20 60 - 33 - 3.6/3994=4, 5177/4.5=4...(12) Peak 236 from nnoeabs.peaks (8.78, 8.02, 121.22 ppm; 3.30 A): 4 out of 4 assignments used, quality = 0.89: * H GLY 54 + H GLN 55 OK 78 100 - 78 - 986=50, 748/3.6=23...(17) H PHE 57 + H GLN 55 OK 36 90 - 39 - 4.6/239=11, 5243/5200=6...(13) H ASN 18 + H GLN 55 OK 13 100 - 12 - 988/4.6=1, 4320/4.9=1...(4) H LEU 34 + H GLN 55 OK 12 97 - 12 - 988/4.6=2, 2563/3.6=1 Peak 237 from nnoeabs.peaks (3.64, 8.02, 121.22 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 54 + H GLN 55 OK 100 100 - 100 - 3.6=100 HA VAL 66 - H GLN 55 lone 4 63 - 6 - 2567/3.6=1 Peak 238 from nnoeabs.peaks (4.07, 8.02, 121.22 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * HA3 GLY 54 + H GLN 55 OK 100 100 - 100 - 3.6=100 HA3 GLY 61 - H GLN 55 OK 17 97 - 18 - 3985=7, 2565/3.6=5...(4) HA2 GLY 59 - H GLN 55 lone 5 99 - 5 - 1.8/751=1 Peak 239 from nnoeabs.peaks (8.02, 8.20, 120.64 ppm; 4.11 A): 1 out of 2 assignments used, quality = 0.94: * H GLN 55 + H LYS 56 OK 94 100 - 94 - 4.6=70, 2.9/240=31...(16) H GLN 55 - H GLU 22 poor 9 48 - 19 - 987=3, 754/4.6=3...(8) Peak 240 from nnoeabs.peaks (4.42, 8.20, 120.64 ppm; 2.59 A): 1 out of 10 assignments used, quality = 0.58: * HA GLN 55 + H LYS 56 OK 58 100 - 58 - 3.6=38, 2.9/239=10...(10) HA PRO 81 - H LYS 56 lone 6 100 - 6 - HA ARG 28 - H LYS 56 lone 6 97 - 7 - HA TYR 70 - H LYS 56 lone 5 83 - 6 - 5224/4.0=1 HA GLN 55 - H GLU 22 lone 4 48 - 8 - 3986=2, 2573/4.6=1 HA PRO 81 - H GLU 22 lone 2 47 - 4 - 5918/3.0=1 HA3 GLY 59 - H LYS 56 lone 1 60 - 2 - HA ARG 28 - H GLU 22 lone 0 43 - 1 - HA TYR 70 - H GLU 22 lone 0 34 - 1 - HA3 GLY 59 - H GLU 22 lone 0 22 - 0 - Peak 241 from nnoeabs.peaks (2.04, 8.20, 120.64 ppm; 3.27 A): 3 out of 18 assignments used, quality = 0.92: * HB2 GLN 55 + H LYS 56 OK 67 100 - 67 - 4.6=35, 3.0/240=22...(7) HG3 GLN 55 + H LYS 56 OK 67 100 - 67 - 4.7=35, 3.8/240=16...(8) HG2 GLU 49 + H LYS 56 OK 25 81 - 31 - 1.8/4941=4, 4935/4.6=4...(11) HB3 GLU 49 - H LYS 56 OK 22 85 - 26 - 3.0/4936=4, 3.0/4941=4...(8) HA ALA 75 - H LYS 56 OK 19 92 - 21 - 5746=5, 2.1/5744=2...(5) HB2 MET 21 - H GLU 22 OK 18 32 - 55 - 4.6=35, 1.8/3843=7...(9) QE MET 21 - H LYS 56 OK 16 85 - 19 - 1544/4.7=3, 4.2/243=2...(8) HB2 MET 21 - H LYS 56 OK 15 81 - 19 - 1.8/243=4, 2571/3.6=2...(10) QE MET 21 - H GLU 22 OK 11 35 - 33 - 1544/4.6=9, 1542/3.6=7...(8) HG3 GLU 33 - H LYS 56 poor 8 76 - 11 - 3915/4.6=2, 2063/3.0=1 HB2 LEU 23 - H LYS 56 lone 8 81 - 10 - 1.8/763=2 HB2 GLN 55 - H GLU 22 poor 7 48 - 16 - 2581/4.6=2, 5187/4.6=2...(9) HG3 GLN 55 - H GLU 22 poor 7 48 - 15 - 2605/4.6=3, 1512/3.6=2...(8) HA ALA 75 - H GLU 22 poor 6 39 - 16 - ~4163=3, 5756/3.6=3...(6) HB3 GLU 49 - H GLU 22 poor 4 35 - 11 - 4938=2, 1.8/4934=1...(5) HB2 LEU 23 - H GLU 22 poor 4 32 - 11 - 3.9/71=6, 4.6/1032=3 HG2 GLU 49 - H GLU 22 poor 3 32 - 11 - 3.0/4938=2, 3.0/4934=1...(4) HG3 GLU 33 - H GLU 22 lone 2 30 - 7 - 2064/4.0=1 Peak 242 from nnoeabs.peaks (1.75, 8.20, 120.64 ppm; 3.25 A): 4 out of 20 assignments used, quality = 0.78: * HB3 GLN 55 + H LYS 56 OK 66 100 - 66 - 4.6=35, 3.0/240=22...(6) HB3 LYS 65 + H LYS 56 OK 17 93 - 18 - 2586/3.6=3, 3988=3...(7) QB ALA 74 + H LYS 56 OK 14 68 - 20 - 5736/4.6=4, 5728/3.0=3...(4) HB2 LEU 73 + H LYS 56 OK 10 100 - 10 - 4206/3.6=3, 2604/4.7=2...(5) HB3 MET 48 - H LYS 56 lone 10 100 - 10 - 4897/4.0=1, 2572/3.6=1 HB2 LYS 17 - H LYS 56 poor 9 63 - 15 - 2.9/763=3, 3.7/760=2...(6) HB3 LYS 17 - H LYS 56 poor 9 60 - 15 - 2.9/763=3, 3.7/760=2...(6) QE MET 11 - H LYS 56 lone 8 85 - 9 - 4244/4.7=2, 4245/4.7=2 HB3 ARG 28 - H LYS 56 lone 7 89 - 8 - 3.0/240=2, 2572/3.6=2 HB3 GLN 55 - H GLU 22 poor 7 48 - 15 - 2589/4.6=3, 5190/4.6=2...(9) HB2 ARG 27 - H LYS 56 lone 6 68 - 9 - 2.9/764=1 QB ALA 74 - H GLU 22 poor 3 26 - 13 - ~4448=3, ~4163=3...(5) HB2 LEU 73 - H GLU 22 lone 3 47 - 6 - 3169/3.0=2, ~3176=1 HB2 LYS 17 - H GLU 22 lone 2 24 - 9 - ~6202=2, 6202/3.0=1, 1.8/4314=1 HB3 LYS 17 - H GLU 22 lone 2 22 - 9 - ~6202=2, 6202/3.0=1, 1.8/4314=1 HB3 LYS 65 - H GLU 22 lone 1 40 - 2 - HB3 MET 48 - H GLU 22 lone 1 47 - 1 - HB3 ARG 28 - H GLU 22 lone 0 37 - 1 - HB2 ARG 27 - H GLU 22 lone 0 26 - 1 - QE MET 11 - H GLU 22 lone 0 35 - 1 - Peak 243 from nnoeabs.peaks (2.17, 8.20, 120.64 ppm; 4.02 A): 3 out of 6 assignments used, quality = 0.96: * HG2 GLN 55 + H LYS 56 OK 87 100 - 87 - 4.7=65, 3.8/240=24...(12) HB VAL 52 + H LYS 56 OK 51 100 - 51 - 4.0/5233=15, 2593/4.6=9...(12) HB3 MET 21 + H LYS 56 OK 33 90 - 37 - 2573/3.6=6, 2605/4.7=5...(13) HB3 MET 21 - H GLU 22 OK 31 38 - 80 - 4.6=65, 574/4.6=12...(9) HG2 GLN 55 - H GLU 22 OK 13 48 - 28 - 1509/3.6=7, 574/4.6=4...(9) HB VAL 52 - H GLU 22 poor 5 47 - 10 - 1509/3.6=2, 574/4.6=2...(4) Peak 244 from nnoeabs.peaks (2.04, 8.20, 120.64 ppm; 3.27 A): 3 out of 22 assignments used, quality = 0.92: HB2 GLN 55 + H LYS 56 OK 67 100 - 67 - 4.6=35, 3.0/240=22...(7) * HG3 GLN 55 + H LYS 56 OK 67 100 - 67 - 4.7=35, 3.8/240=16...(8) HG2 GLU 49 + H LYS 56 OK 24 78 - 31 - 1.8/4941=4, 4935/4.6=4...(11) HB3 GLU 49 - H LYS 56 OK 22 83 - 26 - 3.0/4936=4, 3.0/4941=4...(8) HA ALA 75 - H LYS 56 OK 20 93 - 21 - 5746=5, 2.1/5744=2...(5) HB2 MET 21 - H GLU 22 OK 18 34 - 55 - 4.6=35, 1.8/3843=7...(9) QE MET 21 - H LYS 56 OK 17 87 - 19 - 1544/4.7=3, 4.2/243=2...(9) HB2 MET 21 - H LYS 56 OK 15 83 - 19 - 1.8/243=4, 2571/3.6=2...(10) HG2 GLU 22 - H GLU 22 OK 14 22 - 62 - 5.0=28, ~1553=10...(11) QE MET 21 - H GLU 22 OK 12 36 - 33 - 1544/4.6=9, 1542/3.6=7...(8) HG3 GLU 33 - H LYS 56 poor 9 78 - 11 - 3915/4.6=2, 2063/3.0=1 HB2 LEU 23 - H LYS 56 lone 8 78 - 10 - 1.8/763=2 HB2 GLN 55 - H GLU 22 poor 7 48 - 16 - 2581/4.6=2, 5187/4.6=2...(9) HG3 GLN 55 - H GLU 22 poor 7 48 - 15 - 2605/4.6=3, 1512/3.6=2...(9) HA ALA 75 - H GLU 22 poor 6 40 - 16 - ~4163=3, 5756/3.6=3...(6) HB3 GLU 77 - H GLU 22 poor 6 22 - 25 - 4232/3.6=4, 1.8/1560=4...(13) HG2 GLU 22 - H LYS 56 lone 5 60 - 8 - HB3 GLU 77 - H LYS 56 lone 4 60 - 7 - 4.1/1010=4 HB3 GLU 49 - H GLU 22 poor 4 34 - 11 - 4938=2, 1.8/4934=1...(5) HB2 LEU 23 - H GLU 22 poor 3 31 - 11 - 3.9/71=6, 4.6/1032=3 HG2 GLU 49 - H GLU 22 poor 3 31 - 10 - 3.0/4938=2, 3.0/4934=1 HG3 GLU 33 - H GLU 22 lone 2 31 - 7 - 2064/4.0=1 Peak 247 from nnoeabs.peaks (8.20, 8.80, 121.50 ppm; 4.62 A): 2 out of 10 assignments used, quality = 1.00: * H LYS 56 + H PHE 57 OK 100 100 - 100 - 4.6=99, 3.0/3991=24...(23) HE21 GLN 58 + H PHE 57 OK 54 97 - 56 - 5.6/5245=14, 6.6/989=10...(15) H LEU 79 - H PHE 57 OK 41 98 - 42 - 4651/6.4=6, 2609/3.6=5...(10) H LYS 56 - H ASN 18 OK 25 55 - 46 - 988=8, 3.0/3991=6...(16) H LEU 87 - H PHE 57 OK 20 97 - 21 - 2609/3.6=3, 2619/4.6=3...(7) H LEU 79 - H ASN 18 OK 10 51 - 20 - 891/4.8=7, 892/4.9=2...(5) H GLU 22 - H PHE 57 poor 9 60 - 15 - 2619/4.6=2, 4445/3.6=2...(4) HE21 GLN 58 - H ASN 18 poor 8 50 - 17 - 5.6/5245=3, 6.6/257=2...(5) H GLU 22 - H ASN 18 poor 5 26 - 19 - 64/5.7=3, 4314/4.6=2...(7) H LEU 87 - H ASN 18 lone 3 50 - 5 - Peak 248 from nnoeabs.peaks (4.66, 8.80, 121.50 ppm; 2.85 A): 2 out of 10 assignments used, quality = 0.98: HA PHE 57 + H PHE 57 OK 94 98 - 95 - 2.9=92, 3.7/773=11...(12) * HA LYS 56 + H PHE 57 OK 73 100 - 73 - 3.6=51, 6052/5243=5...(21) HA GLU 33 - H PHE 57 OK 15 60 - 25 - 3911=5, 3.0/3912=4...(6) HA ASN 90 - H PHE 57 OK 13 99 - 13 - 2630/4.6=2, 2620/4.6=2...(4) HA LYS 56 - H ASN 18 OK 10 55 - 19 - 3991=4, 3.0/3992=2...(6) HA PHE 57 - H ASN 18 poor 6 51 - 12 - 2699=2, 3.7/4649=2...(4) HA GLU 33 - H ASN 18 poor 3 26 - 13 - 3911=3, 3.0/3912=2...(6) HA ASN 90 - H ASN 18 lone 1 52 - 3 - HA HIS 42 - H PHE 57 lone 1 60 - 1 - HA HIS 42 - H ASN 18 lone 0 26 - 0 - Peak 249 from nnoeabs.peaks (1.50, 8.80, 121.50 ppm; 3.87 A): 2 out of 26 assignments used, quality = 0.95: * HB2 LYS 56 + H PHE 57 OK 90 100 - 90 - 4.6=60, 3.0/3991=19...(21) HG LEU 34 + H PHE 57 OK 48 93 - 52 - 2.1/2096=9, 3.0/2075=8...(14) QB ALA 71 - H PHE 57 OK 33 85 - 39 - 5640/5244=7, 5652/4.0=6...(10) HD2 LYS 17 - H PHE 57 OK 28 99 - 29 - 2611/3.6=3, 2631/4.6=3...(11) HD3 LYS 17 - H PHE 57 OK 28 99 - 29 - 2611/3.6=3, 2631/4.6=3...(11) QB ALA 72 - H PHE 57 OK 24 99 - 25 - 5696/4.4=9, 5675/5249=3...(4) HB2 LYS 56 - H ASN 18 OK 23 55 - 41 - 5223/3.6=6, 3992=5...(15) HD2 LYS 17 - H ASN 18 OK 20 52 - 37 - 1390/3.6=7, 3.0/3824=6...(10) HD3 LYS 17 - H ASN 18 OK 20 52 - 37 - 1390/3.6=7, 3.0/3824=6...(10) HG3 ARG 27 - H PHE 57 OK 19 89 - 22 - 3.0/770=3, 1796/4.0=2...(7) HG LEU 34 - H ASN 18 OK 14 47 - 31 - 2.1/2096=5, 3.0/2082=4...(9) HG LEU 79 - H PHE 57 OK 12 68 - 18 - 2.1/5248=3, 4670/4.4=3...(8) HD3 LYS 64 - H PHE 57 OK 12 76 - 16 - 2.9/5248=3, 2879/4.6=2...(4) HB3 LYS 26 - H PHE 57 OK 11 89 - 12 - 3.6/5247=2 HG2 GLU 37 - H PHE 57 lone 9 100 - 9 - HB2 LEU 85 - H PHE 57 lone 7 96 - 8 - QB ALA 72 - H ASN 18 poor 7 52 - 14 - 5693/4.7=4, 5672/4.9=2...(5) HB2 ARG 45 - H PHE 57 lone 4 99 - 4 - QB ALA 71 - H ASN 18 lone 4 41 - 10 - 1335/3.6=1, 5640/5244=1 HG3 ARG 27 - H ASN 18 lone 3 43 - 7 - HG LEU 79 - H ASN 18 lone 2 31 - 7 - 3399/4.8=2 HG2 GLU 37 - H ASN 18 lone 2 55 - 4 - HD3 LYS 64 - H ASN 18 lone 2 35 - 5 - HB3 LYS 26 - H ASN 18 lone 2 43 - 4 - HB2 LEU 85 - H ASN 18 lone 1 49 - 3 - HB2 ARG 45 - H ASN 18 lone 1 52 - 2 - Peak 250 from nnoeabs.peaks (1.38, 8.80, 121.50 ppm; 3.74 A): 2 out of 22 assignments used, quality = 0.94: * HB3 LYS 56 + H PHE 57 OK 84 100 - 84 - 4.6=54, 3.0/3991=18...(19) HD3 LYS 56 + H PHE 57 OK 59 92 - 64 - 5.3/3991=9, 3.0/251=8...(22) HB3 LYS 56 - H ASN 18 OK 19 55 - 34 - 1.8/3992=5, 3993=4...(12) HG2 LYS 44 - H PHE 57 OK 18 99 - 19 - 2612/3.6=4, 2622/4.6=3...(6) HB3 LEU 12 - H ASN 18 OK 14 55 - 26 - ~4258=11, 3.1/6149=8...(5) HD3 LYS 56 - H ASN 18 OK 14 46 - 31 - 3.4/3992=4, 3.0/3994=4...(13) HG2 LYS 68 - H PHE 57 OK 12 97 - 13 - 2612/3.6=2, 2622/4.6=2...(4) HB2 LYS 64 - H PHE 57 OK 12 90 - 13 - 3.0/5248=3, 2612/3.6=1...(4) QB ALA 69 - H ASN 18 poor 9 53 - 18 - 6188/4.8=10, 6186/4.8=6 HB3 LEU 12 - H PHE 57 lone 8 100 - 8 - 3.1/6149=2 QB ALA 67 - H PHE 57 lone 7 99 - 7 - QB ALA 69 - H PHE 57 lone 5 99 - 5 - QB ALA 67 - H ASN 18 lone 5 53 - 10 - 3021/4.8=4, 4349/4.8=2 HG2 LYS 68 - H ASN 18 lone 5 51 - 10 - 3056/4.9=1, 4349/4.8=1...(4) HG2 LYS 44 - H ASN 18 lone 4 52 - 7 - HB2 LYS 64 - H ASN 18 lone 2 44 - 5 - HG2 LYS 91 - H PHE 57 lone 2 65 - 3 - HG3 LYS 91 - H PHE 57 lone 2 65 - 3 - QB ALA 89 - H PHE 57 lone 1 78 - 2 - QB ALA 89 - H ASN 18 lone 0 36 - 1 - HG3 LYS 91 - H ASN 18 lone 0 29 - 1 - HG2 LYS 91 - H ASN 18 lone 0 29 - 1 - Peak 251 from nnoeabs.peaks (1.07, 8.80, 121.50 ppm; 4.60 A): 2 out of 8 assignments used, quality = 0.97: * HG2 LYS 56 + H PHE 57 OK 87 100 - 87 - 4.0/3991=19, 3994=15...(24) QD2 LEU 34 + H PHE 57 OK 74 99 - 75 - 2096=15, 2613/3.6=12...(20) HG2 LYS 56 - H ASN 18 OK 26 55 - 47 - 3994=8, 2.9/3992=6...(14) QD2 LEU 34 - H ASN 18 OK 21 53 - 40 - 2096=7, 2.1/2089=6...(10) QG2 THR 38 - H PHE 57 OK 16 96 - 16 - 4789/4.6=3, 2613/3.6=2...(4) QG2 VAL 66 - H PHE 57 poor 10 68 - 14 - 2633/4.6=3, 2613/3.6=2...(4) QG2 THR 38 - H ASN 18 poor 6 49 - 12 - 4350/4.8=3, 4359/4.8=2 QG2 VAL 66 - H ASN 18 poor 4 31 - 13 - 5461/4.8=5, 6093/3.9=1 Peak 252 from nnoeabs.peaks (1.28, 8.80, 121.50 ppm; 4.67 A): 3 out of 18 assignments used, quality = 0.95: * HG3 LYS 56 + H PHE 57 OK 83 100 - 83 - 4.0/3991=20, 1.8/251=14...(20) HG3 LYS 17 + H ASN 18 OK 49 51 - 94 - 4.9=87, 1334/3.6=19...(12) HG3 LYS 17 + H PHE 57 OK 42 98 - 43 - 2624/4.6=5, 2614/3.6=5...(13) HD3 LYS 44 - H PHE 57 OK 29 97 - 31 - 2634/4.6=6, 2624/4.6=5...(9) HG3 LYS 56 - H ASN 18 OK 28 55 - 52 - 1334/3.6=7, 1.8/3994=7...(16) HB3 LYS 68 - H PHE 57 OK 20 95 - 22 - 2634/4.6=4, 2624/4.6=3...(5) HB3 LEU 23 - H PHE 57 OK 17 83 - 20 - 3.1/5247=6, 1.8/5252=2...(7) HG3 LYS 65 - H PHE 57 OK 16 90 - 17 - 2614/3.6=2, 763/4.6=2...(6) HB2 LEU 79 - H PHE 57 OK 16 63 - 25 - 4.0/247=4, 3384/4.6=4...(9) HG3 LYS 31 - H PHE 57 OK 14 83 - 17 - 2624/4.6=2, 2634/4.6=2...(8) HG3 LYS 65 - H ASN 18 OK 11 44 - 24 - 1334/3.6=5, 555/4.7=3...(6) HB2 LYS 26 - H PHE 57 poor 8 60 - 13 - 3.6/5247=3, 1.8/253=1...(5) HB3 LYS 68 - H ASN 18 poor 6 48 - 12 - 3050/4.9=2, 1334/3.6=1 HD3 LYS 44 - H ASN 18 poor 5 50 - 10 - HB3 LEU 23 - H ASN 18 poor 4 39 - 11 - 555/4.7=2, 1334/3.6=1...(4) HB2 LEU 79 - H ASN 18 poor 4 28 - 14 - 3385/4.8=5, 555/4.7=1, 4.0/247=1 HG3 LYS 31 - H ASN 18 lone 3 39 - 8 - HB2 LYS 26 - H ASN 18 lone 1 26 - 3 - Peak 253 from nnoeabs.peaks (1.53, 8.80, 121.50 ppm; 4.13 A): 3 out of 26 assignments used, quality = 0.93: * HD2 LYS 56 + H PHE 57 OK 76 100 - 76 - 5.3/3991=11, 3.0/251=9...(25) HG LEU 34 + H PHE 57 OK 50 89 - 57 - 2.1/2096=11, 3.0/2075=9...(16) QB ALA 71 + H PHE 57 OK 45 96 - 48 - 5640/5244=9, 5652/4.0=8...(13) HB3 LYS 44 - H PHE 57 OK 27 98 - 28 - 6081/3.6=7, 2270/4.6=5...(7) HG3 ARG 27 - H PHE 57 OK 24 93 - 26 - 3.0/770=3, 1796/4.0=3...(8) HD2 LYS 17 - H PHE 57 OK 24 76 - 31 - 3.0/252=3, 2625/4.6=3...(12) HD3 LYS 17 - H PHE 57 OK 24 76 - 31 - 3.0/252=3, 2625/4.6=3...(12) HD3 LYS 64 - H PHE 57 OK 21 99 - 21 - 2.9/5248=4, 2879/4.6=2...(6) HG LEU 30 - H PHE 57 OK 20 99 - 21 - 4583/5249=4, 3.0/5247=4...(4) HD2 LYS 56 - H ASN 18 OK 20 55 - 36 - 3.4/3992=4, 3.0/3994=4...(15) HB3 LYS 26 - H PHE 57 OK 14 93 - 15 - 3.6/5247=2, 2615/3.6=1 HG LEU 34 - H ASN 18 OK 14 43 - 33 - 2.1/2096=5, 2089=5...(9) HD2 LYS 17 - H ASN 18 OK 14 35 - 39 - 3.0/3824=7, 3.7/3822=7...(12) HD3 LYS 17 - H ASN 18 OK 14 35 - 39 - 3.0/3824=7, 3.7/3822=7...(12) HB3 LEU 87 - H PHE 57 OK 13 100 - 13 - 3.9/247=2, 3.1/5247=2...(5) HB2 LEU 85 - H PHE 57 lone 8 85 - 9 - QB ALA 71 - H ASN 18 poor 5 49 - 11 - 5640/5244=1, 5639/5245=1 HB3 LYS 44 - H ASN 18 lone 4 51 - 8 - 4444/6155=1 HG3 ARG 27 - H ASN 18 lone 4 47 - 8 - HB2 ARG 45 - H PHE 57 lone 3 76 - 4 - HD3 LYS 64 - H ASN 18 lone 3 52 - 6 - HG LEU 30 - H ASN 18 lone 2 52 - 5 - HB3 LEU 87 - H ASN 18 lone 2 55 - 3 - HB3 LYS 26 - H ASN 18 lone 2 47 - 4 - HB2 LEU 85 - H ASN 18 lone 1 41 - 3 - HB2 ARG 45 - H ASN 18 lone 1 35 - 2 - Peak 254 from nnoeabs.peaks (1.39, 8.80, 121.50 ppm; 3.91 A): 2 out of 22 assignments used, quality = 0.94: HB3 LYS 56 + H PHE 57 OK 81 92 - 88 - 4.6=62, 3.0/3991=19...(19) * HD3 LYS 56 + H PHE 57 OK 69 100 - 69 - 5.3/3991=9, 3.0/251=8...(22) HB3 LEU 34 - H PHE 57 OK 29 60 - 48 - 1.8/2075=10, 3.1/2096=8...(12) HD3 LYS 56 - H ASN 18 OK 19 55 - 35 - 3.4/3992=4, 3.0/3994=4...(17) HB3 LYS 56 - H ASN 18 OK 16 46 - 36 - 1.8/3992=5, 3993=5...(12) HG2 LYS 44 - H PHE 57 OK 14 76 - 18 - 2612/3.6=4, 2622/4.6=3...(6) HG2 ARG 27 - H PHE 57 OK 13 71 - 18 - 3.0/770=3, 1.8/253=2...(6) HB3 LEU 12 - H ASN 18 OK 12 43 - 28 - ~4258=12, 3.1/6149=9...(5) QB ALA 69 - H ASN 18 OK 10 52 - 20 - 6188/4.8=11, 6186/4.8=6 HD2 LYS 44 - H PHE 57 poor 10 63 - 16 - 2300/4.6=3, 1.8/252=2...(7) HG2 LYS 68 - H PHE 57 poor 8 71 - 12 - 2612/3.6=2, 2622/4.6=2...(4) HG2 LYS 31 - H PHE 57 lone 8 92 - 8 - 2626/4.6=1, 1.8/252=1 HB3 LEU 34 - H ASN 18 poor 8 26 - 29 - 1.8/2075=6, 2082=4...(8) HB3 LEU 12 - H PHE 57 lone 7 89 - 8 - 3.1/6149=3 QB ALA 69 - H PHE 57 lone 5 99 - 5 - QB ALA 67 - H PHE 57 lone 5 78 - 6 - QB ALA 67 - H ASN 18 lone 3 36 - 9 - 3021/4.8=3, 4349/4.8=2 HG2 LYS 68 - H ASN 18 lone 3 32 - 9 - 4349/4.8=1, 4358/4.8=1 HG2 LYS 44 - H ASN 18 lone 3 35 - 7 - 4328/5.7=1 HG2 LYS 31 - H ASN 18 lone 2 46 - 5 - HG2 ARG 27 - H ASN 18 lone 2 32 - 5 - HD2 LYS 44 - H ASN 18 lone 2 28 - 5 - Peak 255 from nnoeabs.peaks (2.82, 8.80, 121.50 ppm; 3.54 A): 3 out of 8 assignments used, quality = 0.98: HB3 PHE 57 + H PHE 57 OK 85 96 - 89 - 4.0=67, 2.5/773=26...(16) HE3 LYS 56 + H PHE 57 OK 60 100 - 60 - 2702/2.9=6, 3.6/251=6...(23) * HE2 LYS 56 + H PHE 57 OK 60 100 - 60 - 3.6/251=6, 2702/2.9=6...(22) HB2 ASN 90 - H PHE 57 OK 15 90 - 16 - 3686/3.6=3, 3686/2.9=2...(7) HE2 LYS 56 - H ASN 18 OK 11 55 - 20 - 3.6/3994=3, 4.8/3992=2...(10) HE3 LYS 56 - H ASN 18 OK 11 54 - 20 - 3.6/3994=3, 4.8/3992=2...(10) HB3 PHE 57 - H ASN 18 poor 7 49 - 14 - 2.5/4649=3, 3.0/2699=3...(5) HB2 ASN 90 - H ASN 18 lone 1 44 - 2 - Peak 256 from nnoeabs.peaks (2.81, 8.80, 121.50 ppm; 3.39 A): 3 out of 10 assignments used, quality = 0.97: HB3 PHE 57 + H PHE 57 OK 84 99 - 85 - 4.0=59, 2.5/773=24...(15) * HE3 LYS 56 + H PHE 57 OK 57 100 - 57 - 2702/2.9=6, 3.6/251=5...(22) HE2 LYS 56 + H PHE 57 OK 56 100 - 56 - 2702/2.9=5, 3.6/251=5...(22) HB2 ASN 90 - H PHE 57 OK 12 83 - 15 - 3686/3.6=3, 3686/2.9=2...(7) HB3 ASP 53 - H PHE 57 OK 12 60 - 20 - 4.1/5237=6, 3.0/3981=3...(7) HE3 LYS 56 - H ASN 18 OK 10 55 - 19 - 3.6/3994=3, 4.8/3992=2...(9) HE2 LYS 56 - H ASN 18 OK 10 54 - 19 - 3.6/3994=3, 4.8/3992=2...(9) HB3 PHE 57 - H ASN 18 poor 7 52 - 13 - 2.5/4649=3, 3.0/2699=3...(5) HB3 ASP 53 - H ASN 18 lone 2 26 - 6 - 4.1/985=2, 3.0/3981=1 HB2 ASN 90 - H ASN 18 lone 1 39 - 2 - Peak 257 from nnoeabs.peaks (8.80, 8.64, 119.55 ppm; 4.69 A): 1 out of 8 assignments used, quality = 1.00: * H PHE 57 + H GLN 58 OK 100 100 - 100 - 4.6=100 H LEU 34 - H GLN 58 OK 43 99 - 43 - 4.6/4703=9, 4.7/4682=7...(14) H ASN 18 - H GLN 58 OK 27 93 - 29 - 989=5, 5245/3.0=4...(9) H LEU 34 - H VAL 47 OK 20 44 - 46 - 4.7/4687=15, 4.6/4703=12...(8) H GLY 54 - H GLN 58 OK 19 90 - 21 - 235/4.7=4, 4649/4.5=4...(6) H PHE 57 - H VAL 47 OK 19 45 - 41 - 989=11, 2.9/4000=7...(11) H ASN 18 - H VAL 47 poor 5 38 - 12 - 4.9/4687=3, 989=2 H GLY 54 - H VAL 47 lone 2 36 - 5 - Peak 258 from nnoeabs.peaks (4.65, 8.64, 119.55 ppm; 2.97 A): 2 out of 12 assignments used, quality = 0.81: * HA PHE 57 + H GLN 58 OK 74 100 - 74 - 3.6=58, 2704/4.5=10...(9) HA LYS 56 + H GLN 58 OK 28 98 - 28 - 3.6/989=8, 4565/4.5=4...(12) HA GLU 33 - H GLN 58 poor 10 83 - 12 - 3.6/257=2, 3911/4.6=2...(4) HA PHE 57 - H VAL 47 poor 8 45 - 18 - 4000=7, 2.9/989=3...(5) HA ASN 90 - H GLN 58 lone 4 89 - 5 - HA LYS 56 - H VAL 47 lone 3 42 - 7 - 3.6/989=3 HA GLU 33 - H VAL 47 lone 1 32 - 4 - HA HIS 42 - H GLN 58 lone 1 83 - 1 - HA ASN 24 - H GLN 58 lone 1 71 - 1 - HA ASN 90 - H VAL 47 lone 0 35 - 1 - HA ASN 24 - H VAL 47 lone 0 26 - 1 - HA HIS 42 - H VAL 47 lone 0 32 - 1 - Peak 259 from nnoeabs.peaks (3.17, 8.64, 119.55 ppm; 4.05 A): 2 out of 10 assignments used, quality = 0.94: * HB2 PHE 57 + H GLN 58 OK 89 100 - 89 - 4.7=66, 3.0/4000=34...(10) HD3 PRO 81 + H GLN 58 OK 47 98 - 48 - 3.0/2737=7, 3457/4.9=6...(17) HB2 PHE 80 - H GLN 58 OK 17 95 - 18 - 4566/4.5=4, 2701/3.6=3...(6) HD3 PRO 81 - H VAL 47 OK 15 42 - 36 - 5908/3.0=11, ~5909=7...(10) HD2 ARG 27 - H GLN 58 OK 14 85 - 17 - 2701/3.6=3, 4566/4.5=3...(6) HB2 PHE 80 - H VAL 47 OK 14 39 - 35 - 3426/3.0=10, ~3432=7...(9) HB2 PHE 57 - H VAL 47 OK 13 45 - 28 - 4001=7, 2.5/4648=6...(5) HD2 ARG 28 - H GLN 58 OK 10 100 - 10 - 5721/5735=2, 2701/3.6=2...(4) HD2 ARG 27 - H VAL 47 lone 2 33 - 5 - HD2 ARG 28 - H VAL 47 lone 1 45 - 2 - Peak 260 from nnoeabs.peaks (2.80, 8.64, 119.55 ppm; 4.45 A): 2 out of 10 assignments used, quality = 0.98: * HB3 PHE 57 + H GLN 58 OK 97 100 - 97 - 4.7=88, 3.0/4000=38...(8) HE3 LYS 56 + H GLN 58 OK 46 99 - 47 - 2702/3.6=8, 4002=8...(12) HE2 LYS 56 - H GLN 58 OK 44 96 - 46 - 2702/3.6=8, 4002=7...(12) HB3 PHE 57 - H VAL 47 OK 14 45 - 31 - 1.8/4001=8, 2.5/4648=8...(6) HB3 ASP 53 - H GLN 58 poor 10 81 - 12 - 3983/4.6=3, 2702/3.6=2...(5) HB2 ASN 90 - H GLN 58 lone 6 63 - 9 - 3686/3.6=2, 255/4.6=1, 3.0/258=1 HE3 LYS 56 - H VAL 47 poor 5 43 - 11 - 4002=2, 1.8/4002=2 HE2 LYS 56 - H VAL 47 poor 4 40 - 11 - 4002=2, 1.8/4002=2 HB3 ASP 53 - H VAL 47 lone 1 31 - 3 - HB2 ASN 90 - H VAL 47 lone 0 22 - 2 - Peak 262 from nnoeabs.peaks (7.16, 8.64, 119.55 ppm; 4.39 A): 1 out of 4 assignments used, quality = 0.98: * QD PHE 57 + H GLN 58 OK 98 100 - 98 - 4.5=93, 3.7/4000=32...(9) HD2 HIS 15 - H GLN 58 OK 16 98 - 15 - 2704/3.6=5, 2710/4.7=4...(4) QD PHE 57 - H VAL 47 OK 15 45 - 32 - 4648=10, 2.5/4001=7...(7) HD2 HIS 15 - H VAL 47 lone 1 42 - 3 - Peak 263 from nnoeabs.peaks (8.64, 8.84, 107.36 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.99: * H GLN 58 + H GLY 59 OK 98 100 - 98 - 4.7=77, 3.0/264=44...(17) H VAL 47 + H GLY 59 OK 68 89 - 77 - 4.7/5337=25, 3.0/5335=25...(11) Peak 264 from nnoeabs.peaks (5.81, 8.84, 107.36 ppm; 2.77 A): 1 out of 1 assignment used, quality = 0.81: * HA GLN 58 + H GLY 59 OK 81 100 - 81 - 3.6=47, 2.9/4007=13...(15) Peak 265 from nnoeabs.peaks (1.96, 8.84, 107.36 ppm; 3.57 A): 2 out of 13 assignments used, quality = 0.95: * HB2 GLN 58 + H GLY 59 OK 93 100 - 93 - 4.3=57, 2.9/264=35...(13) HB3 PRO 81 + H GLY 59 OK 35 98 - 36 - 4006=8, 2738/3.6=8...(9) HG3 PRO 84 - H GLY 59 OK 14 96 - 15 - 2.3/268=4, 2731/3.6=2...(6) HG2 PRO 19 - H GLY 59 OK 13 100 - 13 - 1.8/266=2, 3.8/5318=2...(4) HB2 PRO 19 - H GLY 59 poor 10 85 - 11 - 2.3/5318=2, 2.3/266=2...(4) HB2 GLU 33 - H GLY 59 poor 9 87 - 10 - 2731/3.6=1, 4654/5978=1 HB2 LEU 76 - H GLY 59 lone 8 92 - 9 - HB3 PRO 19 - H GLY 59 poor 8 76 - 10 - 2.3/5318=2, 2.3/266=2...(4) HB VAL 20 - H GLY 59 lone 7 76 - 9 - 2738/3.6=2, 4006=2, 2747/4.3=1 HB3 GLU 22 - H GLY 59 lone 4 87 - 5 - HB2 GLU 51 - H GLY 59 lone 4 99 - 4 - HB2 GLU 77 - H GLY 59 lone 3 100 - 3 - HE3 LYS 68 - H GLY 59 lone 3 68 - 4 - 3.7/5316=2 Peak 266 from nnoeabs.peaks (1.89, 8.84, 107.36 ppm; 3.33 A): 3 out of 7 assignments used, quality = 0.91: * HB3 GLN 58 + H GLY 59 OK 87 100 - 87 - 4.3=46, 2.9/264=31...(14) HB ILE 35 + H GLY 59 OK 21 87 - 24 - 2.1/5317=5, 2732/3.6=4...(10) HG3 PRO 81 + H GLY 59 OK 12 60 - 19 - 2.3/4006=6, 2.3/268=4...(7) HG3 PRO 19 - H GLY 59 poor 9 73 - 12 - 1.8/265=2, 3.8/5318=1...(5) HB3 MET 11 - H GLY 59 lone 8 100 - 8 - 2732/3.6=1, 3.0/268=1 HB2 MET 11 - H GLY 59 lone 8 100 - 8 - 2732/3.6=1, 3.0/268=1 HB3 LYS 78 - H GLY 59 lone 3 81 - 4 - Peak 267 from nnoeabs.peaks (2.39, 8.84, 107.36 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.94: * HG2 GLN 58 + H GLY 59 OK 94 100 - 94 - 4008=45, 1.8/4009=38...(15) Peak 268 from nnoeabs.peaks (2.27, 8.84, 107.36 ppm; 4.21 A): 2 out of 4 assignments used, quality = 0.94: * HG3 GLN 58 + H GLY 59 OK 91 100 - 91 - 4009=42, 1.8/267=36...(11) HB2 PRO 81 + H GLY 59 OK 33 85 - 39 - 1.8/4006=11, 2734/3.6=9...(8) HB2 PRO 84 - H GLY 59 OK 22 83 - 27 - 2734/3.6=5, 2750/4.3=4...(10) HG3 MET 11 - H GLY 59 OK 12 71 - 16 - 2734/3.6=2, 3.0/266=2...(7) Peak 271 from nnoeabs.peaks (8.84, 8.31, 123.52 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.97: * H GLY 59 + H ALA 60 OK 97 100 - 97 - 4.6=81, 3.0/273=39...(15) Peak 272 from nnoeabs.peaks (4.06, 8.31, 123.52 ppm; 3.16 A): 2 out of 3 assignments used, quality = 0.95: * HA2 GLY 59 + H ALA 60 OK 90 100 - 90 - 3.5=70, 1.8/273=35...(11) HA3 GLY 61 + H ALA 60 OK 49 90 - 54 - 2.9/992=13, 4.9/787=9...(14) HA3 GLY 54 - H ALA 60 OK 11 99 - 10 - 2784/4.6=2, 5153/3.0=2...(4) Peak 273 from nnoeabs.peaks (4.45, 8.31, 123.52 ppm; 2.86 A): 1 out of 3 assignments used, quality = 0.76: * HA3 GLY 59 + H ALA 60 OK 76 100 - 76 - 3.5=53, 1.8/272=17...(9) HA LYS 17 - H ALA 60 lone 8 100 - 8 - 2771/3.5=2, 5363/2.9=2...(4) HA GLN 55 - H ALA 60 lone 1 60 - 1 - Peak 274 from nnoeabs.peaks (8.31, 8.53, 103.24 ppm; 4.66 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 60 + H GLY 61 OK 100 100 - 100 - 4.6=100 H TYR 70 - H GLY 61 OK 24 71 - 34 - 5592/2.9=6, 2778/3.6=5...(8) H LYS 64 - H GLY 61 OK 17 85 - 20 - 4.6/5405=12, 4.0/5371=3...(5) H LEU 85 - H GLY 61 lone 10 100 - 9 - 2778/3.6=2, 2775/3.6=2 H GLU 37 - H GLY 61 lone 7 99 - 7 - 4.6/5382=2, 2775/3.6=1 H GLY 16 - H GLY 61 lone 6 83 - 7 - 2778/3.6=3, 2775/3.6=2 Peak 275 from nnoeabs.peaks (6.08, 8.53, 103.24 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.84: * HA ALA 60 + H GLY 61 OK 84 100 - 84 - 3.6=63, 2.1/4013=23...(13) Peak 276 from nnoeabs.peaks (1.31, 8.53, 103.24 ppm; 3.39 A): 1 out of 7 assignments used, quality = 0.96: * QB ALA 60 + H GLY 61 OK 96 100 - 96 - 3.6=87, 2.1/275=37...(14) HB2 LYS 26 - H GLY 61 OK 11 100 - 11 - 2777/3.6=2, 3.6/5373=1...(4) HB3 LYS 68 - H GLY 61 poor 9 89 - 10 - 2.9/5371=2, 4.3/5382=2 HG3 ARG 45 - H GLY 61 lone 5 99 - 5 - 2777/3.6=2, 787/4.6=1 HD3 LYS 44 - H GLY 61 lone 4 85 - 5 - 3.0/5371=1 HB VAL 50 - H GLY 61 lone 4 92 - 4 - HG3 LYS 31 - H GLY 61 lone 3 97 - 3 - Peak 278 from nnoeabs.peaks (4.49, 8.89, 114.56 ppm; 4.79 A): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 61 + H SER 62 OK 100 100 - 100 - 3.6=100 HB THR 13 + H SER 62 OK 46 99 - 46 - 3804=14, 2.1/5388=11...(8) Peak 279 from nnoeabs.peaks (4.08, 8.89, 114.56 ppm; 4.45 A): 1 out of 6 assignments used, quality = 1.00: * HA3 GLY 61 + H SER 62 OK 100 100 - 100 - 3.6=100 HA3 GLY 54 - H SER 62 OK 19 97 - 19 - 4015=6, 2783/3.6=5...(4) HA LYS 14 - H SER 62 OK 17 71 - 24 - ~2787=5, 1213=4...(8) HA2 GLY 59 - H SER 62 poor 9 90 - 10 - 790/4.6=6, 2783/3.6=4 HA LYS 91 - H SER 62 lone 2 65 - 3 - HA LYS 26 - H SER 62 lone 2 63 - 4 - Peak 280 from nnoeabs.peaks (8.89, 7.52, 112.61 ppm; 4.00 A): 2 out of 2 assignments used, quality = 0.87: * H SER 62 + H ASN 63 OK 80 100 - 80 - 4.6=64, 3.9/282=17...(7) H LYS 14 + H ASN 63 OK 36 96 - 37 - 4.3/5396=6, 4.1/5394=6...(9) Peak 281 from nnoeabs.peaks (4.71, 7.52, 112.61 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 62 + H ASN 63 OK 100 100 - 100 - 3.6=100 HA HIS 15 - H ASN 63 OK 13 97 - 13 - 3.6/995=3, 2796/4.3=3...(4) Peak 282 from nnoeabs.peaks (4.12, 7.52, 112.61 ppm; 3.73 A): 2 out of 6 assignments used, quality = 0.76: * HB2 SER 62 + H ASN 63 OK 70 100 - 70 - 4.3=64, 3.9/280=14 HA LYS 14 + H ASN 63 OK 20 87 - 23 - 3.0/280=8, 2789/3.6=4...(5) HA MET 21 - H ASN 63 lone 6 68 - 9 - 4157/4.0=3, 4159/4.0=1...(4) HA LYS 26 - H ASN 63 lone 6 92 - 6 - 2789/3.6=2, 2797/4.3=1 HB THR 83 - H ASN 63 lone 4 99 - 4 - HA LYS 91 - H ASN 63 lone 4 90 - 4 - Peak 283 from nnoeabs.peaks (3.99, 7.52, 112.61 ppm; 4.66 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 62 + H ASN 63 OK 100 100 - 100 - 4.3=100 HA3 GLY 16 - H ASN 63 OK 18 89 - 20 - 3.0/995=5, 2790/3.6=3...(7) HA PRO 19 - H ASN 63 OK 17 100 - 17 - 3.8/5392=3, 3832/5.5=3...(6) HA ALA 71 - H ASN 63 OK 16 76 - 21 - 3.0/1064=7, 2.1/5634=5...(4) HA GLU 25 - H ASN 63 OK 16 89 - 18 - 4505/4.0=6, ~5407=3...(5) HA ALA 72 - H ASN 63 OK 11 63 - 18 - 2.1/5694=6, 2.9/5685=5 HA LEU 79 - H ASN 63 lone 8 89 - 9 - 4.0/5869=3, 2790/3.6=1 Peak 285 from nnoeabs.peaks (4.62, 8.29, 119.85 ppm; 4.08 A): 1 out of 10 assignments used, quality = 1.00: * HA ASN 63 + H LYS 64 OK 100 100 - 100 - 3.6=100 HA ASN 24 - H LYS 64 OK 32 100 - 32 - 1622/4.4=7, 2812/4.4=7...(8) HA LEU 12 - H LYS 64 OK 30 92 - 32 - 3.0/996=6, 1159/4.6=4...(14) HA GLU 33 - H LYS 64 OK 11 97 - 11 - 5417/3.0=2, 4650/4.0=2 HA ASP 43 - H LYS 64 lone 9 89 - 10 - ~4173=3, 5417/3.0=1...(5) HA ARG 27 - H LYS 64 lone 8 100 - 8 - 5417/3.0=1 HA THR 38 - H LYS 64 lone 6 97 - 6 - HA ASP 82 - H LYS 64 lone 5 100 - 5 - HA HIS 42 - H LYS 64 lone 4 97 - 4 - 5417/3.0=1 HA LYS 31 - H LYS 64 lone 2 71 - 2 - Peak 286 from nnoeabs.peaks (2.91, 8.29, 119.85 ppm; 4.17 A): 2 out of 7 assignments used, quality = 0.95: * HB2 ASN 63 + H LYS 64 OK 92 100 - 92 - 4.4=85, 1.8/4021=21...(7) HB2 ASN 24 + H LYS 64 OK 35 99 - 36 - 2801/3.6=9, 2813/4.4=8...(8) HB3 PHE 80 - H LYS 64 OK 17 100 - 17 - 3431/4.6=3, 2801/3.6=3...(7) HE3 LYS 65 - H LYS 64 OK 11 60 - 18 - 7.4/996=5, 1.8/287=3...(5) HE3 LYS 14 - H LYS 64 lone 7 100 - 6 - 797/4.6=2, 2801/3.6=1 HE2 LYS 14 - H LYS 64 lone 6 100 - 6 - 797/4.6=2, 2801/3.6=1 HB2 ASP 53 - H LYS 64 lone 4 89 - 4 - Peak 287 from nnoeabs.peaks (2.86, 8.29, 119.85 ppm; 4.55 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ASN 63 + H LYS 64 OK 100 100 - 100 - 4.4=100 HB3 ASN 24 - H LYS 64 OK 39 100 - 40 - 2802/3.6=9, 1.8/286=9...(9) HE2 LYS 65 - H LYS 64 OK 19 85 - 23 - 7.4/996=6, 3.8/807=3...(9) HE3 LYS 65 - H LYS 64 OK 15 76 - 20 - 7.4/996=6, 3.8/807=3...(7) HB3 ASN 18 - H LYS 64 OK 10 100 - 10 - 2802/3.6=3, 2808/4.4=2 HB2 ASN 18 - H LYS 64 OK 10 100 - 10 - 2802/3.6=3, 2808/4.4=2 HE3 LYS 17 - H LYS 64 lone 10 99 - 10 - 3.0/808=1, 3.0/808=1...(4) HE2 LYS 17 - H LYS 64 lone 7 90 - 8 - 3.0/808=1, 3.0/808=1, 7.2/39=1 HB3 TYR 32 - H LYS 64 lone 6 99 - 6 - 2802/3.6=2, 798/4.6=1 Peak 290 from nnoeabs.peaks (8.29, 7.85, 119.36 ppm; 3.05 A): 3 out of 7 assignments used, quality = 0.73: * H LYS 64 + H LYS 65 OK 54 100 - 54 - 4.6=30, 805/4.9=9...(10) H VAL 66 + H LYS 65 OK 35 60 - 58 - 4.6=29, 4.7/1040=10...(10) H GLU 77 + H LYS 65 OK 11 63 - 18 - 2.9/5790=3, 3.6/5788=2...(7) H GLY 16 - H LYS 65 lone 9 100 - 9 - 2817/3.6=1, 2827/4.6=1 H GLU 37 - H LYS 65 lone 5 65 - 7 - 4.5/812=1, 170/2.9=1, 4.6/5450=1 H LEU 85 - H LYS 65 lone 5 89 - 5 - H ALA 60 - H LYS 65 lone 4 85 - 4 - Peak 291 from nnoeabs.peaks (3.28, 7.85, 119.36 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 64 + H LYS 65 OK 100 100 - 100 - 3.6=100 Peak 292 from nnoeabs.peaks (1.36, 7.85, 119.36 ppm; 3.50 A): 4 out of 11 assignments used, quality = 0.94: * HB2 LYS 64 + H LYS 65 OK 62 100 - 62 - 4.6=43, 1.8/4024=11...(9) QB ALA 67 + H LYS 65 OK 56 98 - 57 - 4172/3.6=23, 2.9/1040=21...(11) HG2 LYS 68 + H LYS 65 OK 41 99 - 42 - 5556/2.9=8, ~4177=5...(17) HB3 LEU 12 + H LYS 65 OK 40 93 - 43 - 1.8/1166=6, 1173=5...(19) HG2 LYS 44 - H LYS 65 OK 26 99 - 26 - ~6166=3, 2819/3.6=3...(13) HB3 LYS 56 - H LYS 65 OK 20 90 - 22 - 2.9/5453=5, 2.9/2947=3...(8) QB ALA 69 - H LYS 65 OK 16 76 - 22 - ~1056=6, ~4180=5...(5) QB ALA 86 - H LYS 65 lone 4 81 - 5 - 2.9/997=2 HG2 LYS 91 - H LYS 65 lone 4 97 - 4 - HG3 LYS 91 - H LYS 65 lone 4 97 - 4 - QB ALA 89 - H LYS 65 lone 2 99 - 2 - Peak 293 from nnoeabs.peaks (1.44, 7.85, 119.36 ppm; 3.17 A): 4 out of 10 assignments used, quality = 0.92: HG2 LYS 65 + H LYS 65 OK 71 100 - 71 - 5.0=25, 3.0/814=15...(19) * HB3 LYS 64 + H LYS 65 OK 50 100 - 50 - 4.6=32, 4.0/290=8...(9) HG LEU 12 + H LYS 65 OK 27 76 - 35 - 3.0/1166=4, 2.1/1194=4...(14) HB3 LEU 76 + H LYS 65 OK 24 78 - 31 - 3.1/5784=4, 3.0/813=3...(15) HD2 LYS 64 - H LYS 65 OK 22 92 - 24 - 3.8/4024=6, 2823/3.6=5...(7) HD2 LYS 44 - H LYS 65 OK 16 83 - 19 - 6166/2.9=2, 3.0/292=2...(8) HG3 LYS 78 - H LYS 65 OK 13 90 - 15 - 2921/3.8=2, 2911/2.9=2...(4) HB3 ARG 45 - H LYS 65 OK 11 95 - 11 - 2838/3.6=3, 2841/4.9=2...(5) HB3 LEU 34 - H LYS 65 poor 9 85 - 11 - 3.1/5453=3, 2820/3.6=2 HG2 ARG 27 - H LYS 65 lone 5 76 - 6 - Peak 294 from nnoeabs.peaks (0.58, 7.85, 119.36 ppm; 5.28 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 64 + H LYS 65 OK 100 100 - 100 - 4.9=100 Peak 295 from nnoeabs.peaks (0.70, 7.85, 119.36 ppm; 6.08 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 64 + H LYS 65 OK 100 100 - 100 - 4.9=100 QD2 LEU 76 + H LYS 65 OK 80 97 - 82 - 5784=16, 2822/3.6=15...(22) QG1 VAL 50 - H LYS 65 OK 31 98 - 32 - 2832/4.6=7, 2822/3.6=6...(6) QG2 VAL 20 - H LYS 65 OK 29 73 - 39 - 5455/2.9=5, 2822/3.6=4...(12) Peak 296 from nnoeabs.peaks (1.46, 7.85, 119.36 ppm; 3.21 A): 4 out of 8 assignments used, quality = 0.94: HG2 LYS 65 + H LYS 65 OK 71 97 - 73 - 5.0=26, 3.0/814=15...(19) HB3 LYS 64 + H LYS 65 OK 47 92 - 52 - 4.6=33, 4.0/290=8...(9) HG LEU 12 + H LYS 65 OK 37 99 - 38 - 3.0/1166=4, 2.1/1194=4...(15) HB3 LEU 76 + H LYS 65 OK 33 99 - 34 - 3.1/5784=5, 3.0/813=3...(15) ! HD2 LYS 64 - H LYS 65 OK 25 100 - 25 - 3.8/4024=7, 2823/3.6=5...(6) HG LEU 79 - H LYS 65 OK 18 83 - 21 - 3.0/816=3, 2.1/4101=3...(9) HG3 LYS 78 - H LYS 65 OK 16 100 - 16 - 2921/3.8=2, 2911/2.9=2...(5) HB3 ARG 45 - H LYS 65 OK 12 100 - 12 - 2838/3.6=3, 2841/4.9=2...(5) Peak 300 from nnoeabs.peaks (7.85, 8.26, 120.89 ppm; 2.99 A): 4 out of 8 assignments used, quality = 0.73: * H LYS 65 + H VAL 66 OK 59 100 - 59 - 4.6=28, 1040/4.7=10...(10) H LEU 12 + H VAL 66 OK 16 97 - 16 - 2907/3.6=4, 2917/4.4=3...(6) H LYS 65 + H ASP 88 OK 12 69 - 17 - 997=6, 2.9/301=2...(6) H PHE 80 + H VAL 66 OK 11 87 - 12 - 2907/3.6=2, 2917/4.4=2...(5) HD21 ASN 24 - H VAL 66 lone 4 71 - 6 - H PHE 80 - H ASP 88 lone 3 53 - 5 - 379/4.6=1 H LEU 12 - H ASP 88 lone 2 63 - 3 - HD21 ASN 24 - H ASP 88 lone 1 41 - 2 - Peak 301 from nnoeabs.peaks (3.74, 8.26, 120.89 ppm; 3.80 A): 1 out of 8 assignments used, quality = 1.00: * HA LYS 65 + H VAL 66 OK 100 100 - 100 - 3.6=100 HA LYS 65 - H ASP 88 OK 17 69 - 25 - 4031=5, 2.9/997=4...(8) HB2 SER 36 - H VAL 66 OK 17 89 - 19 - 1044/4.7=3, 2918/4.4=2...(7) HA2 GLY 39 - H VAL 66 lone 7 87 - 8 - 2918/4.4=1, 2928/4.4=1...(4) HB2 SER 36 - H ASP 88 lone 2 55 - 4 - HA2 GLY 40 - H VAL 66 lone 1 57 - 2 - HA2 GLY 39 - H ASP 88 lone 1 53 - 2 - HA2 GLY 40 - H ASP 88 lone 0 32 - 1 - Peak 302 from nnoeabs.peaks (1.79, 8.26, 120.89 ppm; 3.06 A): 8 out of 34 assignments used, quality = 0.85: * HB2 LYS 65 + H VAL 66 OK 58 100 - 58 - 4.4=34, 1.8/303=14...(11) HG LEU 76 + H VAL 66 OK 19 83 - 24 - 2.1/4080=3, 2.1/4081=3...(10) QE MET 11 + H VAL 66 OK 18 85 - 21 - 4241/3.0=11, 4244/4.0=7 HB2 ARG 27 + H VAL 66 OK 14 96 - 15 - 1773/3.0=3, 3.5/822=2...(6) HG3 GLU 37 + H VAL 66 OK 12 100 - 12 - 3.0/823=2, 3.0/823=2...(6) QB ALA 74 + H VAL 66 OK 11 96 - 12 - 2.1/4228=2, 3.4/1087=2...(4) HB2 MET 48 + H VAL 66 OK 11 99 - 11 - 1.8/303=2, 2909/3.6=2...(4) HB2 LYS 65 + H ASP 88 OK 10 69 - 14 - 4032=3, 1.8/303=2...(6) HB2 GLU 37 - H VAL 66 poor 8 63 - 12 - 1.8/823=4, ~3003=2...(4) HD3 LYS 78 - H VAL 66 lone 8 100 - 8 - 2909/3.6=1 HG LEU 76 - H ASP 88 poor 7 50 - 14 - 2.1/4080=2, 3.0/4077=2...(6) QB ALA 74 - H ASP 88 lone 6 61 - 10 - 2.1/4228=2, 3.4/1087=2...(4) HD3 LYS 78 - H ASP 88 lone 6 68 - 9 - 3348/3.6=3, 4093/4.6=2 HB2 LYS 44 - H VAL 66 lone 4 65 - 6 - 4.0/5477=1 HB2 LYS 31 - H VAL 66 lone 2 100 - 2 - HB2 ARG 28 - H VAL 66 lone 2 100 - 2 - HB2 LYS 31 - H ASP 88 lone 2 69 - 3 - 4599/3.6=1 HG2 GLU 51 - H VAL 66 lone 2 83 - 3 - HG3 GLU 51 - H VAL 66 lone 2 81 - 2 - HB2 ARG 27 - H ASP 88 lone 2 61 - 3 - HB3 ARG 28 - H VAL 66 lone 2 81 - 2 - HB3 GLU 33 - H VAL 66 lone 2 65 - 2 - HB2 LYS 91 - H VAL 66 lone 1 100 - 1 - HB2 MET 48 - H ASP 88 lone 1 67 - 2 - QE MET 11 - H ASP 88 lone 1 52 - 3 - HG3 GLU 37 - H ASP 88 lone 1 69 - 1 - HG2 GLU 51 - H ASP 88 lone 1 50 - 1 - HB2 LYS 44 - H ASP 88 lone 1 38 - 2 - HG3 GLU 51 - H ASP 88 lone 1 48 - 1 - HB2 LYS 91 - H ASP 88 lone 1 67 - 1 - HB2 ARG 28 - H ASP 88 lone 1 69 - 1 - HB3 GLU 33 - H ASP 88 lone 0 38 - 1 - HB2 GLU 37 - H ASP 88 lone 0 36 - 1 - HB3 ARG 28 - H ASP 88 lone 0 48 - 1 - Peak 303 from nnoeabs.peaks (1.74, 8.26, 120.89 ppm; 3.22 A): 6 out of 12 assignments used, quality = 0.82: * HB3 LYS 65 + H VAL 66 OK 64 100 - 64 - 4.4=40, 1.8/4032=11...(13) HB3 GLN 55 + H VAL 66 OK 16 93 - 17 - 2928/3.6=3, 4033=3...(7) HB2 LYS 17 + H VAL 66 OK 14 93 - 15 - 2910/3.6=3, 2920/4.4=2...(5) HB3 LYS 17 + H VAL 66 OK 13 92 - 14 - 2910/3.6=3, 2920/4.4=2...(5) HB3 MET 48 + H VAL 66 OK 11 90 - 13 - 2910/3.6=3, 1.8/302=2...(6) HB3 LYS 65 + H ASP 88 OK 11 69 - 16 - 4033=3, 1.8/4032=3...(6) HB2 LEU 73 - H VAL 66 poor 9 87 - 10 - 3.1/5705=2, 3.0/4226=1 HB2 LEU 73 - H ASP 88 lone 5 53 - 9 - 3.1/5705=2, 3.0/4226=1...(5) HB3 GLN 55 - H ASP 88 lone 3 59 - 5 - HB2 LYS 17 - H ASP 88 lone 2 59 - 3 - HB3 LYS 17 - H ASP 88 lone 2 58 - 3 - HB3 MET 48 - H ASP 88 lone 1 56 - 2 - Peak 304 from nnoeabs.peaks (1.45, 8.26, 120.89 ppm; 4.17 A): 4 out of 20 assignments used, quality = 0.92: * HG2 LYS 65 + H VAL 66 OK 65 100 - 65 - 3.0/303=17, 3.0/4032=14...(11) HB3 LYS 64 + H VAL 66 OK 47 100 - 47 - 3.0/1041=19, 4.6/300=15...(12) HB3 LEU 76 + H VAL 66 OK 42 89 - 47 - 4078=8, 1.8/4077=7...(13) HD2 LYS 64 + H VAL 66 OK 30 97 - 30 - 5.0/1041=13, 815/4.6=2...(11) HG LEU 12 - H VAL 66 OK 19 87 - 22 - 2911/3.6=4, 296/4.6=3...(7) HG3 LYS 78 - H VAL 66 OK 19 97 - 19 - 4.9/363=3, 2921/4.4=3...(7) HB3 LEU 76 - H ASP 88 OK 17 55 - 31 - 1.8/4077=5, 4078=5...(9) HG2 ARG 27 - H VAL 66 OK 16 63 - 26 - 3.0/822=4, ~1797=4...(8) HG2 LYS 65 - H ASP 88 OK 16 69 - 24 - 3.0/4032=3, 3.7/4031=3...(10) HG3 LYS 78 - H ASP 88 OK 12 63 - 20 - 3328/3.6=6, 4091/4.6=5...(5) HD2 LYS 44 - H VAL 66 OK 11 71 - 16 - 6166/3.6=4, 293/4.6=2...(6) HB3 LEU 34 - H VAL 66 poor 9 73 - 13 - 3.1/824=4, ~3000=2, 2087/4.0=2 HB3 LYS 64 - H ASP 88 poor 7 67 - 11 - 3.0/1041=4, 4.6/997=3 HB3 ARG 45 - H VAL 66 lone 6 99 - 6 - 2838/1041=1, 4024/4.6=1 HD2 LYS 64 - H ASP 88 lone 5 64 - 7 - 5.0/1041=3 HG LEU 12 - H ASP 88 lone 3 53 - 5 - HD2 LYS 44 - H ASP 88 lone 2 41 - 5 - HB3 ARG 45 - H ASP 88 lone 1 65 - 2 - HG2 ARG 27 - H ASP 88 lone 1 36 - 3 - HB3 LEU 34 - H ASP 88 lone 1 43 - 2 - Peak 305 from nnoeabs.peaks (1.26, 8.26, 120.89 ppm; 4.27 A): 9 out of 16 assignments used, quality = 0.94: * HG3 LYS 65 + H VAL 66 OK 66 100 - 66 - 3.0/303=17, 3.0/4032=15...(11) HG3 LYS 17 + H VAL 66 OK 25 99 - 25 - 2912/3.6=4, 2922/4.4=4...(7) HG3 LYS 56 + H VAL 66 OK 24 90 - 26 - 2948/3.6=5, 1.8/824=3...(9) HB3 LYS 68 + H VAL 66 OK 23 60 - 38 - 4.0/1043=14, 4179/3.6=8...(8) HB2 LEU 79 + H VAL 66 OK 19 96 - 19 - 4097/4.6=3, 2912/3.6=3...(5) HG3 LYS 65 + H ASP 88 OK 18 69 - 25 - 3.0/4032=4, 3.7/4031=4...(10) HB3 LEU 23 + H VAL 66 OK 17 100 - 17 - 4477/4.4=3, 2912/3.6=2...(5) HG2 LYS 17 + H VAL 66 OK 14 71 - 20 - 2.9/303=4, 2.9/303=4...(7) HB3 LEU 23 + H ASP 88 OK 13 68 - 20 - 3.9/71=3, 1597/4.8=3...(6) HD3 LYS 44 - H VAL 66 poor 9 65 - 14 - 4178/3.6=2, 816/4.6=1...(6) HB2 LEU 79 - H ASP 88 poor 7 61 - 12 - 3384/4.6=4, 4.0/414=2 HG3 LYS 56 - H ASP 88 lone 5 56 - 9 - 2649/4.6=1, 4035=1 HG3 LYS 17 - H ASP 88 lone 4 66 - 6 - HB3 LYS 68 - H ASP 88 lone 3 34 - 9 - 4.0/1049=4 HG2 LYS 17 - H ASP 88 lone 2 41 - 5 - HD3 LYS 44 - H ASP 88 lone 2 38 - 5 - Peak 306 from nnoeabs.peaks (1.58, 8.26, 120.89 ppm; 4.28 A): 4 out of 18 assignments used, quality = 0.94: HD3 LYS 65 + H VAL 66 OK 59 100 - 59 - 3.5/303=15, 3.5/4032=13...(12) * HD2 LYS 65 + H VAL 66 OK 59 100 - 59 - 3.5/303=15, 3.5/4032=13...(12) HB2 LEU 87 + H ASP 88 OK 48 48 - 100 - 4.2=100 HB2 LYS 68 + H VAL 66 OK 33 71 - 47 - 4.0/1043=14, 4177/3.6=11...(9) HB3 LEU 85 - H ASP 88 OK 26 60 - 44 - 4.0/1013=7, 4121=5...(13) HD3 LYS 14 - H VAL 66 OK 24 100 - 24 - 2913/3.6=4, 2923/4.4=4...(11) HD2 LYS 14 - H VAL 66 OK 24 99 - 24 - 2913/3.6=4, 2923/4.4=4...(11) HB2 LEU 12 - H VAL 66 OK 20 81 - 25 - 4.0/300=5, 1166/4.6=4...(10) HD2 LYS 65 - H ASP 88 OK 15 69 - 22 - 3.5/4032=3, 3.5/4033=3...(8) HD3 LYS 65 - H ASP 88 OK 15 68 - 22 - 3.5/4032=3, 3.5/4033=3...(8) HG LEU 85 - H ASP 88 OK 13 38 - 35 - 5.1/1013=5, 2.1/4124=4...(13) HB3 LEU 85 - H VAL 66 OK 11 95 - 12 - 4.0/1013=2, 4121=1, 1.8/4120=1 HB2 LEU 87 - H VAL 66 poor 9 81 - 11 - 3.9/411=1, 4121=1, 1.8/4129=1 HG LEU 85 - H VAL 66 lone 6 65 - 10 - 5.1/1013=1, 2.1/4124=1 HB2 LYS 68 - H ASP 88 poor 5 41 - 13 - 4.0/1049=4, 6026/4.6=2 HD3 LYS 14 - H ASP 88 lone 3 67 - 4 - HD2 LYS 14 - H ASP 88 lone 3 67 - 4 - HB2 LEU 12 - H ASP 88 lone 3 48 - 6 - 6026/4.6=2 Peak 307 from nnoeabs.peaks (1.58, 8.26, 120.89 ppm; 4.28 A): 4 out of 20 assignments used, quality = 0.95: * HD3 LYS 65 + H VAL 66 OK 59 100 - 59 - 3.5/303=15, 3.5/4032=13...(12) HD2 LYS 65 + H VAL 66 OK 59 100 - 59 - 3.5/303=15, 3.5/4032=13...(12) HB2 LEU 87 + H ASP 88 OK 53 53 - 100 - 4.2=100 HB2 LYS 68 + H VAL 66 OK 38 78 - 49 - 4.0/1043=14, 4177/3.6=13...(9) HB3 LEU 85 - H ASP 88 OK 28 64 - 45 - 4.0/1013=7, 3626/4.6=6...(13) HG LEU 87 - H ASP 88 OK 27 34 - 81 - 4.9=68, 3.7/4127=9...(7) HD3 LYS 14 - H VAL 66 OK 24 100 - 24 - 2913/3.6=4, 2923/4.4=4...(11) HD2 LYS 14 - H VAL 66 OK 24 100 - 24 - 2913/3.6=4, 2923/4.4=4...(11) HB2 LEU 12 - H VAL 66 OK 22 87 - 25 - 4.0/300=5, 1166/4.6=5...(10) HD3 LYS 65 - H ASP 88 OK 16 69 - 22 - 3.5/4032=3, 3.5/4033=3...(8) HD2 LYS 65 - H ASP 88 OK 15 68 - 22 - 3.5/4032=3, 3.5/4033=3...(8) HG LEU 85 - H ASP 88 OK 15 43 - 36 - 5.1/1013=5, 2.1/4124=4...(13) HB3 LEU 85 - H VAL 66 OK 12 97 - 12 - 4.0/1013=2, 4121=2, 1.8/4120=1 HB2 LEU 87 - H VAL 66 OK 10 87 - 11 - 4121=1, 3.9/1015=1, 1.8/4129=1 HG LEU 85 - H VAL 66 lone 7 73 - 10 - 5.1/1013=1, 2.1/4124=1 HB2 LYS 68 - H ASP 88 poor 6 46 - 13 - 4.0/1049=4, 6026/4.6=2 HG LEU 87 - H VAL 66 lone 6 60 - 9 - 2.1/4132=1 HB2 LEU 12 - H ASP 88 lone 3 53 - 6 - 6026/4.6=2 HD3 LYS 14 - H ASP 88 lone 3 68 - 4 - HD2 LYS 14 - H ASP 88 lone 3 68 - 4 - Peak 308 from nnoeabs.peaks (2.88, 8.26, 120.89 ppm; 4.66 A): 7 out of 22 assignments used, quality = 0.94: * HE2 LYS 65 + H VAL 66 OK 57 100 - 57 - 5.1/303=12, 5.1/4032=11...(12) HE3 LYS 65 + H VAL 66 OK 56 100 - 57 - 5.1/303=12, 5.1/4032=11...(12) HB3 ASN 63 + H VAL 66 OK 43 85 - 51 - 3.5/5413=12, 6093/4.0=11...(12) HE2 LYS 65 + H ASP 88 OK 15 69 - 21 - 3.8/4034=3, 3.8/4035=3...(10) HE3 LYS 17 + H VAL 66 OK 14 71 - 20 - 3.9/305=3, 5.0/303=3...(9) HE3 LYS 65 + H ASP 88 OK 14 68 - 21 - 3.8/4034=3, 3.8/4035=3...(10) HE3 LYS 14 + H VAL 66 OK 12 60 - 20 - 2926/4.4=3, 3.9/825=3...(9) HB3 ASN 24 - H VAL 66 poor 9 73 - 13 - 6093/4.0=3, 3.5/300=2...(4) HB3 PHE 80 - H VAL 66 poor 9 60 - 14 - 4.0/300=4, 3431/4.6=2...(5) HB2 ASP 53 - H VAL 66 lone 6 90 - 7 - 5148/5477=1 HB3 ASN 18 - H VAL 66 lone 6 81 - 8 - 6093/4.0=2 HB2 ASN 18 - H VAL 66 lone 6 78 - 7 - 6093/4.0=2 HB3 TYR 32 - H VAL 66 lone 4 71 - 6 - HB2 ASP 53 - H ASP 88 lone 3 56 - 6 - 2556/3.6=3 HB3 ASN 24 - H ASP 88 lone 3 43 - 8 - 3.7/1032=3 HB3 ASN 63 - H ASP 88 lone 3 52 - 6 - 3.5/5413=1 HB3 ASN 18 - H ASP 88 lone 2 48 - 5 - HE3 LYS 17 - H ASP 88 lone 2 41 - 5 - HB2 ASN 18 - H ASP 88 lone 2 46 - 5 - HB3 PHE 80 - H ASP 88 lone 2 34 - 6 - HE3 LYS 14 - H ASP 88 lone 1 34 - 4 - HB3 TYR 32 - H ASP 88 lone 1 41 - 2 - Peak 309 from nnoeabs.peaks (2.88, 8.26, 120.89 ppm; 4.66 A): 4 out of 26 assignments used, quality = 0.92: HE2 LYS 65 + H VAL 66 OK 57 100 - 57 - 5.1/303=12, 5.1/4032=11...(12) * HE3 LYS 65 + H VAL 66 OK 57 100 - 57 - 5.1/303=12, 5.1/4032=11...(12) HB3 ASN 63 + H VAL 66 OK 38 76 - 50 - 3.5/5413=12, 6093/4.0=10...(12) HB2 ASN 63 + H VAL 66 OK 30 60 - 50 - 5397/4.0=13, 3.5/5413=12...(10) HE3 LYS 65 - H ASP 88 OK 15 69 - 21 - 3.8/4034=3, 3.8/4035=3...(10) HE2 LYS 65 - H ASP 88 OK 14 68 - 21 - 3.8/4034=3, 3.8/4035=3...(10) HE3 LYS 14 - H VAL 66 OK 14 71 - 20 - 2926/4.4=3, 3.9/825=3...(9) HE2 LYS 14 - H VAL 66 OK 12 63 - 20 - 3.9/825=3, 2926/4.4=3...(9) HE3 LYS 17 - H VAL 66 OK 12 60 - 20 - 3.9/305=3, 5.0/303=3...(9) HB3 PHE 80 - H VAL 66 OK 11 71 - 15 - 4.0/300=4, 3431/4.6=3...(5) HB3 ASN 24 - H VAL 66 poor 8 63 - 12 - 6093/4.0=2, 3.5/300=2...(4) HB2 ASP 53 - H VAL 66 lone 7 96 - 7 - 5148/5477=1, 5209/5476=1 HB3 ASN 18 - H VAL 66 lone 5 71 - 7 - 6093/4.0=2 HB2 ASN 18 - H VAL 66 lone 5 68 - 7 - 6093/4.0=2 HB2 ASP 53 - H ASP 88 lone 4 61 - 6 - 2556/3.6=3 HB3 TYR 32 - H VAL 66 lone 3 60 - 6 - HB3 ASN 63 - H ASP 88 lone 3 45 - 6 - 3.5/5413=1 HB3 ASN 24 - H ASP 88 lone 3 36 - 8 - 3.7/1032=3 HB3 PHE 80 - H ASP 88 lone 3 41 - 6 - HB2 ASN 63 - H ASP 88 lone 2 34 - 6 - 3.5/5413=1 HE3 LYS 17 - H ASP 88 lone 2 34 - 5 - HB3 ASN 18 - H ASP 88 lone 2 41 - 4 - HB2 ASN 18 - H ASP 88 lone 2 39 - 4 - HE3 LYS 14 - H ASP 88 lone 2 41 - 4 - HE2 LYS 14 - H ASP 88 lone 1 36 - 4 - HB3 TYR 32 - H ASP 88 lone 1 34 - 2 - Peak 310 from nnoeabs.peaks (8.26, 7.41, 121.32 ppm; 3.25 A): 4 out of 7 assignments used, quality = 0.88: * H VAL 66 + H ALA 67 OK 76 100 - 76 - 998=43, 4.0/4042=15...(11) H LYS 64 + H ALA 67 OK 30 60 - 50 - 3.0/4170=20, 4.6/1040=12...(13) H ASP 88 + H ALA 67 OK 20 96 - 20 - 998=7, 2997/3.6=2...(7) H GLU 77 + H ALA 67 OK 10 100 - 10 - 4.6/5491=2, 997/1040=1...(4) H ALA 86 - H ALA 67 lone 5 96 - 5 - H GLU 22 - H ALA 67 lone 3 60 - 4 - H GLY 16 - H ALA 67 lone 2 63 - 4 - Peak 311 from nnoeabs.peaks (3.61, 7.41, 121.32 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 66 + H ALA 67 OK 100 100 - 100 - 3.6=100 HD3 ARG 27 - H ALA 67 OK 12 73 - 17 - 3008/4.3=4, 3013/4.3=3...(6) HA2 GLY 54 - H ALA 67 poor 9 63 - 14 - 1.8/5516=4, 3008/4.3=2...(5) Peak 312 from nnoeabs.peaks (1.84, 7.41, 121.32 ppm; 3.43 A): 5 out of 11 assignments used, quality = 0.93: * HB VAL 66 + H ALA 67 OK 85 100 - 85 - 4.5=45, 2.1/4042=26...(16) HG3 PRO 19 + H ALA 67 OK 21 71 - 30 - 2.3/827=7, 1485/2.9=3...(14) HB3 GLU 37 + H ALA 67 OK 20 85 - 23 - 4041=7, 3003/3.6=4...(7) HB3 PRO 84 + H ALA 67 OK 14 96 - 15 - 3.0/827=3, 3555/2.9=2...(5) HB2 GLU 37 + H ALA 67 OK 14 65 - 21 - 1.8/4041=5, 4041=5...(8) HB2 GLU 22 - H ALA 67 lone 10 100 - 10 - 2999/3.6=2, 4450/4.3=2...(4) HB2 GLU 49 - H ALA 67 lone 7 100 - 7 - HB2 LYS 44 - H ALA 67 poor 7 63 - 11 - 4041=2, 5534/4.6=1, 2.9/828=1 HG2 PRO 81 - H ALA 67 lone 3 87 - 3 - HB3 GLU 33 - H ALA 67 lone 3 63 - 4 - 5534/4.6=1 HB3 LYS 78 - H ALA 67 lone 1 63 - 2 - Peak 313 from nnoeabs.peaks (1.04, 7.41, 121.32 ppm; 4.05 A): 1 out of 3 assignments used, quality = 0.98: * QG2 VAL 66 + H ALA 67 OK 98 100 - 98 - 4.3=85, 2.1/4041=31...(17) QD2 LEU 34 - H ALA 67 OK 20 85 - 23 - 5507/2.9=6, 3000/3.6=4...(8) HG2 LYS 56 - H ALA 67 OK 13 68 - 19 - 3000/3.6=3, 5507/2.9=3...(8) Peak 314 from nnoeabs.peaks (1.12, 7.41, 121.32 ppm; 3.91 A): 2 out of 4 assignments used, quality = 0.98: * QG1 VAL 66 + H ALA 67 OK 97 100 - 97 - 4.3=77, 2.1/4042=34...(19) QG2 THR 13 + H ALA 67 OK 47 93 - 50 - 4043=14, 5511/2.9=8...(15) HG3 LYS 14 - H ALA 67 OK 15 87 - 17 - 4.0/5516=3, 3011/4.3=2...(8) HG12 ILE 35 - H ALA 67 lone 6 68 - 9 - 3001/3.6=2, 3011/4.3=1...(4) Peak 315 from nnoeabs.peaks (7.41, 7.98, 115.46 ppm; 3.13 A): 1 out of 1 assignment used, quality = 0.69: * H ALA 67 + H LYS 68 OK 69 100 - 69 - 4.6=31, 2.9/4045=17...(13) Peak 316 from nnoeabs.peaks (3.80, 7.98, 115.46 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 67 + H LYS 68 OK 100 100 - 100 - 3.6=100 HD3 PRO 19 - H LYS 68 OK 26 98 - 27 - 1053/4.6=8, 3021/3.7=6...(6) HD2 PRO 84 - H LYS 68 OK 19 92 - 20 - 3021/3.7=3, 1053/4.6=2...(9) Peak 317 from nnoeabs.peaks (1.37, 7.98, 115.46 ppm; 2.77 A): 4 out of 11 assignments used, quality = 0.94: * QB ALA 67 + H LYS 68 OK 66 100 - 66 - 3.7=41, 2.9/315=19...(10) HG2 LYS 68 + H LYS 68 OK 64 100 - 64 - 4.9=18, 2.9/3033=11...(21) QB ALA 69 + H LYS 68 OK 32 93 - 35 - 2.9/318=14, 3.6/1059=6...(9) HB2 LYS 64 + H LYS 68 OK 25 98 - 26 - 3.0/1051=12, 3019/3.6=2...(7) HB3 LEU 12 - H LYS 68 OK 16 100 - 16 - 1.8/831=3, 1175/4.0=2...(6) HG2 LYS 44 - H LYS 68 OK 14 100 - 14 - 4.7/189=2, 3.0/832=2...(5) HB3 LYS 56 - H LYS 68 OK 13 99 - 13 - 2.9/832=2, 2634/4.0=1...(4) HD3 LYS 56 - H LYS 68 lone 7 78 - 9 - 3.0/832=2 QB ALA 89 - H LYS 68 lone 2 92 - 2 - HG3 LYS 91 - H LYS 68 lone 2 83 - 2 - HG2 LYS 91 - H LYS 68 lone 2 83 - 2 - Peak 318 from nnoeabs.peaks (7.98, 7.52, 119.82 ppm; 3.19 A): 2 out of 2 assignments used, quality = 0.78: * H LYS 68 + H ALA 69 OK 71 100 - 71 - 4.6=33, 4.6/1054=12...(18) H ASP 43 + H ALA 69 OK 23 99 - 23 - 3023/3.6=6, 3033/4.3=5...(6) Peak 319 from nnoeabs.peaks (3.54, 7.52, 119.82 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 68 + H ALA 69 OK 100 100 - 100 - 3.6=100 Peak 320 from nnoeabs.peaks (1.60, 7.52, 119.82 ppm; 3.39 A): 4 out of 12 assignments used, quality = 0.86: * HB2 LYS 68 + H ALA 69 OK 76 100 - 76 - 4.3=47, 1.8/321=15...(15) HB2 LEU 12 + H ALA 69 OK 22 100 - 22 - 1.8/322=3, 3.1/5581=3...(7) HD3 LYS 65 + H ALA 69 OK 15 78 - 19 - 4.6/1056=8, 2.8/321=2...(7) HD2 LYS 65 + H ALA 69 OK 13 71 - 18 - 4.6/1056=8, 2.8/321=2...(7) HG LEU 23 - H ALA 69 lone 10 99 - 10 - 2.1/323=2, 3025/3.6=2...(4) HG LEU 73 - H ALA 69 lone 9 90 - 10 - ~6107=2, 2.1/323=2...(5) HB3 LEU 85 - H ALA 69 lone 5 96 - 5 - HG LEU 85 - H ALA 69 lone 5 100 - 5 - HB2 LEU 87 - H ALA 69 lone 5 100 - 5 - HG LEU 87 - H ALA 69 lone 4 99 - 4 - HD2 LYS 14 - H ALA 69 lone 4 85 - 4 - HD3 LYS 14 - H ALA 69 lone 3 83 - 4 - Peak 321 from nnoeabs.peaks (1.29, 7.52, 119.82 ppm; 3.51 A): 6 out of 9 assignments used, quality = 0.91: * HB3 LYS 68 + H ALA 69 OK 79 100 - 79 - 4.3=52, 1.8/320=17...(15) HG3 LYS 56 + H ALA 69 OK 19 95 - 20 - 3026/3.6=3, 3036/4.3=2...(8) HB2 LYS 26 + H ALA 69 OK 17 90 - 19 - 3026/3.6=4, 3036/4.3=3...(6) QB ALA 60 + H ALA 69 OK 16 89 - 19 - 4.9/5384=3, 4.9/5386=3...(9) HG3 LYS 65 + H ALA 69 OK 14 60 - 24 - 3.7/1056=10, 2.8/320=3...(8) HD3 LYS 44 + H ALA 69 OK 13 100 - 13 - 3026/3.6=2, 3036/4.3=2...(5) HG3 LYS 17 - H ALA 69 lone 7 78 - 9 - 3026/3.6=2, 3036/4.3=1 HG3 LYS 31 - H ALA 69 lone 5 99 - 5 - HG3 ARG 45 - H ALA 69 lone 2 71 - 2 - Peak 322 from nnoeabs.peaks (1.37, 7.52, 119.82 ppm; 2.62 A): 5 out of 12 assignments used, quality = 0.91: QB ALA 69 + H ALA 69 OK 69 89 - 78 - 2.9=72, 3.6/328=9...(9) QB ALA 67 + H ALA 69 OK 41 100 - 41 - 2.9/1054=12, 3.7/318=10...(11) * HG2 LYS 68 + H ALA 69 OK 36 100 - 37 - 2.9/320=7, 2.9/321=7...(8) HB3 LEU 12 + H ALA 69 OK 14 99 - 15 - 1.8/320=3, 1175/4.3=2...(6) HB3 LYS 56 + H ALA 69 OK 12 97 - 13 - 2.9/321=2, 2634/4.3=1 HB2 LYS 64 - H ALA 69 lone 9 99 - 10 - 3027/3.6=1, 4.6/5450=1 HG2 LYS 44 - H ALA 69 lone 8 100 - 8 - 3.0/321=1 HD3 LYS 56 - H ALA 69 lone 7 71 - 10 - 3.0/321=2 QB ALA 89 - H ALA 69 lone 3 96 - 3 - HG3 LYS 91 - H ALA 69 lone 1 89 - 1 - HG2 LYS 91 - H ALA 69 lone 1 89 - 1 - QB ALA 86 - H ALA 69 lone 0 65 - 1 - Peak 323 from nnoeabs.peaks (0.80, 7.52, 119.82 ppm; 4.52 A): 3 out of 6 assignments used, quality = 0.92: * HG3 LYS 68 + H ALA 69 OK 83 100 - 83 - 3064/3.6=33, 4.9/318=21...(19) QD2 LEU 79 + H ALA 69 OK 40 87 - 46 - 5869=13, 2.1/5581=6...(11) QD1 LEU 23 + H ALA 69 OK 22 92 - 24 - 3028/3.6=5, 3048/4.3=4...(5) QG2 ILE 35 - H ALA 69 OK 21 81 - 26 - 3028/3.6=4, 3048/4.3=4...(8) QG1 VAL 47 - H ALA 69 OK 19 85 - 22 - 3028/3.6=4, 3048/4.3=3...(6) QD1 LEU 73 - H ALA 69 OK 15 65 - 24 - 5704/4.6=4, 6107/2.9=3...(8) Peak 328 from nnoeabs.peaks (7.52, 8.33, 115.27 ppm; 3.13 A): 3 out of 3 assignments used, quality = 0.73: * H ALA 69 + H TYR 70 OK 61 100 - 61 - 4.6=31, 3.6/1058=12...(10) H ASN 63 + H TYR 70 OK 17 100 - 17 - 3116/3.6=4, 3113/3.6=2...(8) HE22 GLN 55 + H TYR 70 OK 15 90 - 17 - 1.7/846=3, ~3123=2...(6) Peak 329 from nnoeabs.peaks (3.87, 8.33, 115.27 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 69 + H TYR 70 OK 100 100 - 100 - 3.6=100 HA3 GLY 29 - H TYR 70 OK 39 100 - 39 - 1063/4.6=6, 4577/3.0=6...(11) HA GLU 77 - H TYR 70 OK 15 100 - 15 - 6049/3.0=5, 3117/3.6=2...(5) HA GLU 22 - H TYR 70 lone 8 81 - 10 - 3117/3.6=2, 840/4.6=1...(4) Peak 330 from nnoeabs.peaks (1.38, 8.33, 115.27 ppm; 2.94 A): 4 out of 10 assignments used, quality = 0.88: * QB ALA 69 + H TYR 70 OK 72 100 - 72 - 3.6=54, 2.9/328=14...(8) QB ALA 67 + H TYR 70 OK 36 93 - 38 - 2.1/1060=13, 3.7/1059=7...(11) HG2 LYS 68 + H TYR 70 OK 25 89 - 28 - 3.9/1058=9, 4.9/1059=5...(8) HB3 LYS 56 + H TYR 70 OK 11 99 - 12 - 5224/3.0=2, 3115/3.6=1 HD3 LYS 56 - H TYR 70 lone 9 99 - 9 - 1.8/5588=1 HG2 LYS 44 - H TYR 70 lone 8 92 - 9 - 4797/4.6=1 HB3 LEU 12 - H TYR 70 lone 8 98 - 8 - 3115/3.6=1 HB2 LYS 64 - H TYR 70 lone 6 76 - 8 - HG2 LYS 31 - H TYR 70 lone 4 76 - 6 - 3.6/844=1 QB ALA 89 - H TYR 70 lone 3 60 - 4 - 2.9/1002=1 Peak 331 from nnoeabs.peaks (8.33, 8.13, 126.46 ppm; 2.91 A): 4 out of 6 assignments used, quality = 0.92: * H TYR 70 + H ALA 71 OK 62 100 - 62 - 4.6=25, 845/4.4=9...(13) H ALA 72 + H ALA 71 OK 57 95 - 60 - 4.6=25, 4063/2.9=9...(16) H ARG 28 + H ALA 71 OK 34 90 - 38 - 3.0/4568=7, 4063/2.9=5...(15) H ALA 60 + H ALA 71 OK 30 71 - 43 - 3.5/5331=12, 3.5/5649=11...(9) H GLU 37 - H ALA 71 lone 4 89 - 4 - H LEU 85 - H ALA 71 lone 2 65 - 3 - Peak 332 from nnoeabs.peaks (4.40, 8.13, 126.46 ppm; 3.92 A): 2 out of 4 assignments used, quality = 1.00: * HA TYR 70 + H ALA 71 OK 100 100 - 100 - 3.6=100 HA ARG 28 + H ALA 71 OK 64 98 - 66 - 4568=20, 3.6/1067=12...(19) HA PRO 81 - H ALA 71 OK 21 90 - 23 - 5915=6, 1068/4.6=2...(10) HA GLN 55 - H ALA 71 OK 17 83 - 21 - 5.7/1064=3, 4577/4.5=2...(10) Peak 333 from nnoeabs.peaks (2.98, 8.13, 126.46 ppm; 3.74 A): 2 out of 8 assignments used, quality = 0.91: * HB2 TYR 70 + H ALA 71 OK 87 100 - 87 - 4.4=62, 1.8/334=24...(17) HB3 HIS 15 + H ALA 71 OK 31 83 - 38 - 1.8/334=12, 1315/4.4=5...(10) HE3 LYS 31 - H ALA 71 lone 8 92 - 9 - 3121/3.6=2, 4578/4.5=1...(4) HE2 LYS 31 - H ALA 71 lone 8 90 - 8 - 3121/3.6=2, 4578/4.5=1...(4) HE2 LYS 91 - H ALA 71 lone 7 85 - 8 - 4578/4.5=1, 3121/3.6=1 HE3 LYS 91 - H ALA 71 lone 7 85 - 8 - 4578/4.5=1, 3121/3.6=1 HD2 ARG 45 - H ALA 71 lone 2 57 - 4 - HD3 ARG 45 - H ALA 71 lone 2 57 - 4 - Peak 334 from nnoeabs.peaks (3.32, 8.13, 126.46 ppm; 3.82 A): 2 out of 2 assignments used, quality = 0.94: * HB3 TYR 70 + H ALA 71 OK 89 100 - 89 - 4.4=66, 1.8/333=22...(14) HB2 HIS 15 + H ALA 71 OK 44 99 - 45 - 3122/3.6=9, 1.8/333=8...(10) Peak 336 from nnoeabs.peaks (7.33, 8.13, 126.46 ppm; 4.96 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 70 + H ALA 71 OK 100 100 - 100 - 4.5=100 QE PHE 46 - H ALA 71 OK 36 95 - 38 - 3124/3.6=7, 3130/4.4=7...(9) HZ PHE 46 - H ALA 71 OK 32 97 - 32 - 3124/3.6=7, 3130/4.4=6...(8) Peak 337 from nnoeabs.peaks (8.13, 8.35, 118.23 ppm; 3.02 A): 3 out of 5 assignments used, quality = 0.78: * H ALA 71 + H ALA 72 OK 65 100 - 65 - 4.6=28, 2.9/4063=11...(17) H LEU 30 + H ALA 72 OK 26 89 - 29 - 4.6/1004=5, 3.6/1070=5...(9) H ARG 27 + H ALA 72 OK 16 57 - 28 - 3.0/3875=4, 965=3...(14) H ALA 89 - H ALA 72 lone 5 83 - 5 - H MET 11 - H ALA 72 lone 3 68 - 5 - Peak 338 from nnoeabs.peaks (3.97, 8.35, 118.23 ppm; 3.07 A): 2 out of 7 assignments used, quality = 1.00: HA ALA 72 + H ALA 72 OK 100 100 - 100 - 2.9=100 * HA ALA 71 + H ALA 72 OK 82 100 - 82 - 3.6=63, 3.0/337=14...(14) HA GLU 25 - H ALA 72 OK 22 99 - 23 - 3.0/5686=4, ~4216=2...(9) HA LEU 76 - H ALA 72 OK 19 68 - 28 - ~4219=5, 4.0/5669=4...(13) HA PRO 19 - H ALA 72 OK 17 81 - 21 - 2.3/5667=3, 2.3/5667=3...(8) HA3 GLY 16 - H ALA 72 lone 5 99 - 5 - HB3 SER 62 - H ALA 72 lone 3 76 - 4 - 4.3/5685=2 Peak 339 from nnoeabs.peaks (1.52, 8.35, 118.23 ppm; 2.56 A): 4 out of 16 assignments used, quality = 0.86: * QB ALA 71 + H ALA 72 OK 59 100 - 59 - 3.7=32, 2.9/337=10...(12) QB ALA 72 + H ALA 72 OK 49 65 - 75 - 2.9=66, 3.6/1004=7...(7) HG3 ARG 27 + H ALA 72 OK 22 100 - 22 - 1.8/3878=2, 3.0/3880=2...(10) HB3 LYS 26 + H ALA 72 OK 13 100 - 14 - 4.3/965=2, 3.6/5668=2...(5) HG LEU 30 - H ALA 72 poor 10 83 - 12 - 3.0/5668=2, 5.1/337=1...(4) HB2 LYS 56 - H ALA 72 lone 5 85 - 6 - HD3 LYS 17 - H ALA 72 lone 4 97 - 4 - HD2 LYS 17 - H ALA 72 lone 4 97 - 4 - HB2 LEU 85 - H ALA 72 lone 4 99 - 4 - HD2 LYS 56 - H ALA 72 lone 4 96 - 4 - HD3 LYS 64 - H ALA 72 lone 4 100 - 4 - HB3 LEU 87 - H ALA 72 lone 4 96 - 4 - HG LEU 34 - H ALA 72 lone 4 100 - 4 - HG2 GLU 37 - H ALA 72 lone 3 87 - 3 - HB3 LYS 44 - H ALA 72 lone 1 81 - 2 - HB2 ARG 45 - H ALA 72 lone 1 97 - 1 - Peak 340 from nnoeabs.peaks (8.35, 8.57, 117.62 ppm; 3.29 A): 3 out of 7 assignments used, quality = 0.93: * H ALA 72 + H LEU 73 OK 74 100 - 74 - 4.6=37, 2.9/4065=17...(16) H ARG 28 + H LEU 73 OK 52 100 - 52 - 3.0/3882=9, 966=9...(20) H TYR 70 + H LEU 73 OK 44 95 - 47 - 3.0/4204=11, 3.6/4202=7...(12) H ASN 90 - H LEU 73 lone 2 60 - 3 - H GLY 39 - H LEU 73 lone 2 63 - 2 - H GLY 40 - H LEU 73 lone 1 63 - 2 - H GLU 37 - H LEU 73 lone 1 57 - 2 - Peak 341 from nnoeabs.peaks (3.96, 8.57, 117.62 ppm; 3.48 A): 2 out of 8 assignments used, quality = 0.99: * HA ALA 72 + H LEU 73 OK 97 100 - 97 - 3.6=93, 2.1/4065=23...(10) HA ALA 71 + H LEU 73 OK 58 100 - 58 - 3.6/1004=15, 4211/4.6=15...(9) HA GLU 25 - H LEU 73 OK 25 97 - 26 - 3.0/1077=5, 1638/1084=3...(11) HA LEU 76 - H LEU 73 OK 21 81 - 26 - ~4221=4, 1078/4.6=3...(11) HA PRO 19 - H LEU 73 OK 21 68 - 30 - 2.3/4343=9, 2.3/4343=9...(7) HA LEU 23 - H LEU 73 OK 14 57 - 25 - 3.9/859=4, 4.3/858=4...(11) HA3 GLY 16 - H LEU 73 lone 4 97 - 4 - HB3 SER 62 - H LEU 73 lone 2 63 - 2 - Peak 342 from nnoeabs.peaks (1.49, 8.57, 117.62 ppm; 3.18 A): 4 out of 12 assignments used, quality = 0.91: * QB ALA 72 + H LEU 73 OK 83 100 - 83 - 3.6=69, 2.9/1004=15...(9) QB ALA 71 + H LEU 73 OK 31 65 - 47 - 3.7/1004=12, 4.2/4065=10...(10) HG3 ARG 27 + H LEU 73 OK 14 71 - 20 - 5.0/966=4, 1.8/5711=2...(7) HB3 LYS 26 + H LEU 73 OK 13 71 - 19 - ~4521=3, 3.6/860=2...(8) HB2 LEU 85 - H LEU 73 poor 10 83 - 12 - 3.0/858=2, 3.1/860=2, 1.8/858=2 HB2 LYS 56 - H LEU 73 lone 8 99 - 8 - 1.8/5711=1, 3.4/5711=1 HG LEU 79 - H LEU 73 lone 8 87 - 9 - 2.1/859=2, 3157/3.6=1 HD2 LYS 17 - H LEU 73 lone 3 90 - 3 - HD3 LYS 17 - H LEU 73 lone 3 90 - 3 - HG2 GLU 37 - H LEU 73 lone 3 98 - 3 - HG LEU 34 - H LEU 73 lone 3 78 - 3 - HB2 ARG 45 - H LEU 73 lone 1 90 - 1 - Peak 343 from nnoeabs.peaks (8.57, 7.80, 121.01 ppm; 3.20 A): 2 out of 2 assignments used, quality = 0.92: * H LEU 73 + H ALA 74 OK 84 100 - 84 - 1005=45, 3.9/4067=15...(15) H GLY 29 + H ALA 74 OK 47 97 - 49 - 3175/4.4=5, 3168/4.4=5...(19) Peak 344 from nnoeabs.peaks (3.91, 7.80, 121.01 ppm; 3.70 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 73 + H ALA 74 OK 100 100 - 100 - 3.6=100 HA LEU 23 - H ALA 74 OK 38 85 - 45 - 4066=10, 3197/4.6=5...(15) HA LEU 76 - H ALA 74 OK 37 63 - 59 - 3.0/1082=20, 5.0/5743=12...(14) HA GLU 22 - H ALA 74 OK 19 76 - 25 - 4163/4.6=5, 4448/2.9=4...(12) Peak 345 from nnoeabs.peaks (1.75, 7.80, 121.01 ppm; 2.63 A): 4 out of 8 assignments used, quality = 0.90: QB ALA 74 + H ALA 74 OK 65 78 - 83 - 2.9=72, 3.4/350=15...(12) * HB2 LEU 73 + H ALA 74 OK 57 100 - 57 - 4.4=21, 1.8/4068=14...(10) HB3 ARG 28 + H ALA 74 OK 24 95 - 25 - 3.0/1081=3, 4.6/343=3...(11) HB2 ARG 27 + H ALA 74 OK 13 78 - 17 - 4.2/1079=2, 1.8/346=1...(4) HB3 GLN 55 - H ALA 74 lone 7 100 - 7 - QE MET 11 - H ALA 74 lone 6 92 - 7 - 4243/4.6=3 HB3 MET 48 - H ALA 74 lone 5 100 - 5 - HB3 LYS 65 - H ALA 74 lone 3 87 - 3 - Peak 346 from nnoeabs.peaks (1.67, 7.80, 121.01 ppm; 3.48 A): 3 out of 12 assignments used, quality = 0.95: * HB3 LEU 73 + H ALA 74 OK 86 100 - 86 - 4.4=48, 1.8/4067=30...(17) HG3 ARG 28 + H ALA 74 OK 43 98 - 44 - 3.8/1081=6, 4.9/343=6...(18) HG2 ARG 28 + H ALA 74 OK 42 97 - 44 - 3.8/1081=6, 4.9/343=6...(18) HB2 LEU 30 - H ALA 74 OK 18 83 - 21 - 3.1/348=4, 1888/4.6=2...(8) HB3 ARG 27 - H ALA 74 OK 18 65 - 27 - 4.2/1079=4, 1.8/863=4...(12) HB3 GLU 51 - H ALA 74 OK 10 96 - 11 - 5089/4.6=4, 5088/1072=2 HD2 LYS 31 - H ALA 74 lone 6 100 - 6 - HD3 LYS 31 - H ALA 74 lone 6 100 - 6 - HB3 LYS 91 - H ALA 74 lone 5 90 - 5 - HB3 LYS 31 - H ALA 74 lone 3 60 - 4 - HB2 LYS 14 - H ALA 74 lone 2 71 - 2 - HB3 LYS 14 - H ALA 74 lone 2 71 - 2 - Peak 347 from nnoeabs.peaks (1.62, 7.80, 121.01 ppm; 3.76 A): 7 out of 12 assignments used, quality = 0.95: * HG LEU 73 + H ALA 74 OK 80 100 - 80 - 3.0/4067=27, 3.0/4068=26...(14) HG LEU 23 + H ALA 74 OK 36 99 - 37 - 4069=6, 2.1/348=6...(11) HG LEU 87 + H ALA 74 OK 24 98 - 25 - 4069=4, 2.1/349=3...(9) HG LEU 85 + H ALA 74 OK 21 93 - 23 - 4069=4, 2.1/349=3...(10) HB2 LEU 87 + H ALA 74 OK 17 83 - 20 - 3.0/4069=4, 3.1/349=3...(9) HB3 LEU 85 + H ALA 74 OK 11 63 - 18 - 3.0/4069=3, 3.1/349=2...(7) HB2 LYS 68 + H ALA 74 OK 11 90 - 12 - 3200/4.6=1, 3172/4.4=1...(6) HD3 LYS 91 - H ALA 74 lone 5 87 - 5 - HD2 LYS 91 - H ALA 74 lone 5 85 - 5 - HB2 LEU 12 - H ALA 74 lone 3 83 - 3 - HB3 LYS 14 - H ALA 74 lone 1 63 - 2 - HB2 LYS 14 - H ALA 74 lone 1 63 - 2 - Peak 348 from nnoeabs.peaks (0.78, 7.80, 121.01 ppm; 4.30 A): 2 out of 6 assignments used, quality = 0.99: * QD1 LEU 73 + H ALA 74 OK 98 100 - 98 - 4.6=80, 3.1/4067=33...(21) QD1 LEU 23 + H ALA 74 OK 46 96 - 49 - 1614/3.6=8, 3.9/4066=8...(9) QD1 LEU 30 - H ALA 74 OK 44 99 - 45 - 6032/3.6=9, 3180/4.4=5...(15) HG2 LYS 26 - H ALA 74 OK 18 63 - 29 - 4070=5, 3.0/349=3...(10) QD2 LEU 79 - H ALA 74 OK 13 98 - 13 - 3173/4.4=2, 859/4.6=2...(5) HG3 LYS 68 - H ALA 74 poor 8 65 - 12 - 2.9/347=2, 3173/4.4=2...(6) Peak 349 from nnoeabs.peaks (0.84, 7.80, 121.01 ppm; 4.01 A): 2 out of 9 assignments used, quality = 0.98: * QD2 LEU 73 + H ALA 74 OK 95 100 - 95 - 4.6=65, 3.1/4067=30...(16) QB ALA 75 + H ALA 74 OK 51 60 - 84 - 2.9/350=39, 4.5/3206=26...(20) QD2 LEU 87 - H ALA 74 OK 26 100 - 26 - 2.1/4069=5, 3181/4.4=3...(10) HD2 LYS 26 - H ALA 74 OK 24 97 - 25 - 4524/3.6=4, 3.0/4070=3...(9) QD2 LEU 85 - H ALA 74 OK 23 100 - 23 - 2.1/4069=4, 3181/4.4=3...(9) QD2 LEU 30 - H ALA 74 OK 17 60 - 29 - 2.1/348=6, 3.1/346=2...(13) QG2 ILE 35 - H ALA 74 lone 7 90 - 8 - 3174/4.4=2, 3181/4.4=2 QG2 VAL 47 - H ALA 74 lone 6 100 - 5 - QG1 VAL 47 - H ALA 74 lone 4 87 - 5 - Peak 350 from nnoeabs.peaks (7.80, 7.36, 121.32 ppm; 3.00 A): 1 out of 1 assignment used, quality = 0.72: * H ALA 74 + H ALA 75 OK 72 100 - 72 - 1006=30, 3206/3.4=21...(22) Peak 351 from nnoeabs.peaks (4.15, 7.36, 121.32 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 74 + H ALA 75 OK 100 100 - 100 - 3.6=100 HA MET 21 - H ALA 75 OK 39 100 - 39 - 4161=7, 3207/3.4=5...(13) HB THR 83 - H ALA 75 lone 4 71 - 6 - 1088/4.6=1 Peak 352 from nnoeabs.peaks (1.77, 7.36, 121.32 ppm; 2.92 A): 6 out of 14 assignments used, quality = 0.94: * QB ALA 74 + H ALA 75 OK 83 100 - 83 - 3.4=62, 2.9/350=23...(20) HB2 LEU 73 + H ALA 75 OK 34 78 - 43 - 4.4/350=12, 3.9/1084=11...(10) HB2 ARG 27 + H ALA 75 OK 18 100 - 18 - 3.5/5752=2, 4546/2.9=2...(5) HB3 ARG 28 + H ALA 75 OK 17 98 - 18 - 4.6/1084=3, 4.0/5752=2...(8) HB2 ARG 28 + H ALA 75 OK 16 97 - 17 - 4.6/1084=3, 4.0/5752=2...(7) HD3 LYS 78 + H ALA 75 OK 11 99 - 11 - 5767/2.9=2, 5761/2.9=1...(4) HB3 GLN 55 - H ALA 75 poor 9 68 - 13 - ~6110=2, 1.8/865=2, 2.9/865=1 HB2 LYS 31 - H ALA 75 lone 8 97 - 9 - 4603/2.9=1 HB2 LYS 65 - H ALA 75 lone 6 96 - 6 - 4.4/1087=1 HG3 GLU 37 - H ALA 75 lone 5 96 - 5 - HB2 MET 48 - H ALA 75 lone 5 87 - 5 - QE MET 11 - H ALA 75 lone 3 99 - 3 - HB3 MET 48 - H ALA 75 lone 3 73 - 4 - HB2 LYS 91 - H ALA 75 lone 2 89 - 2 - Peak 353 from nnoeabs.peaks (7.36, 8.54, 118.14 ppm; 3.37 A): 3 out of 3 assignments used, quality = 0.87: * H ALA 75 + H LEU 76 OK 76 100 - 76 - 4.6=39, 2.9/4075=18...(18) H GLU 25 + H LEU 76 OK 37 100 - 37 - 1035/3.0=6, 3209/3.6=5...(13) QE PHE 46 + H LEU 76 OK 16 89 - 18 - ~5774=3, 4.4/6194=3...(8) Peak 354 from nnoeabs.peaks (2.05, 8.54, 118.14 ppm; 4.05 A): 2 out of 8 assignments used, quality = 1.00: * HA ALA 75 + H LEU 76 OK 100 100 - 100 - 3.6=100 HB3 GLU 77 + H LEU 76 OK 45 92 - 49 - 4.0/356=17, 4.1/1098=10...(12) HG2 GLU 22 - H LEU 76 OK 32 92 - 35 - 4465/4.8=9, 4464/4.8=5...(9) HG3 GLU 33 - H LEU 76 OK 21 99 - 21 - 3.0/871=4, 1093/4.6=3...(9) HB2 MET 21 - H LEU 76 OK 20 99 - 20 - 3.0/1088=7, 3213/3.6=3...(6) QE MET 21 - H LEU 76 OK 17 100 - 17 - 5.3/1088=4, 4441/4.8=3...(7) HG3 GLN 55 - H LEU 76 OK 11 93 - 11 - 3213/3.6=3, 865/4.6=2...(5) HB2 GLN 55 - H LEU 76 poor 10 92 - 11 - 3213/3.6=3, 865/4.6=1 Peak 355 from nnoeabs.peaks (0.87, 8.54, 118.14 ppm; 3.10 A): 2 out of 11 assignments used, quality = 0.93: * QB ALA 75 + H LEU 76 OK 80 100 - 80 - 3.6=62, 2.9/1007=17...(15) QD1 LEU 76 + H LEU 76 OK 66 96 - 69 - 4.8=27, 2.1/3236=13...(12) HD2 LYS 26 - H LEU 76 OK 16 85 - 19 - 4524/3.0=3, ~4525=3...(7) QD2 LEU 73 - H LEU 76 OK 16 60 - 26 - 4.6/1089=9, 3.9/4221=7...(7) QD2 LEU 30 - H LEU 76 OK 12 100 - 12 - 3220/3.0=2, ~6032=1...(4) HD3 LYS 26 - H LEU 76 OK 11 60 - 19 - 3220/3.0=3, ~4524=3...(8) QD1 LEU 87 - H LEU 76 lone 7 73 - 9 - 4.8/1008=1, 3220/3.0=1 QG2 VAL 47 - H LEU 76 lone 6 63 - 9 - 3.2/6051=2, ~5789=2...(4) HB3 LEU 30 - H LEU 76 lone 5 60 - 9 - 3220/3.0=1, 3227/4.0=1 QD2 LEU 87 - H LEU 76 lone 5 71 - 7 - 4.8/1008=1 QD1 LEU 85 - H LEU 76 lone 5 81 - 6 - 3220/3.0=1 Peak 356 from nnoeabs.peaks (8.54, 8.26, 115.68 ppm; 3.46 A): 3 out of 3 assignments used, quality = 0.84: * H LEU 76 + H GLU 77 OK 74 100 - 74 - 4.6=42, 3222/4.6=9...(18) H ASP 82 + H GLU 77 OK 27 100 - 27 - 3215/3.6=5, 3222/4.6=4...(8) H GLY 61 + H GLU 77 OK 17 97 - 17 - 3215/3.6=4, 3222/4.6=3...(4) Peak 357 from nnoeabs.peaks (3.94, 8.26, 115.68 ppm; 4.00 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 76 + H GLU 77 OK 100 100 - 100 - 3.6=100 HA LEU 23 - H GLU 77 OK 34 98 - 35 - 3230/4.6=5, 3223/4.6=5...(12) HA ALA 72 - H GLU 77 OK 30 81 - 37 - 4219/4.6=10, 4215/5796=4...(11) HA LEU 73 - H GLU 77 OK 26 63 - 42 - 3.6/5796=14, 3.9/5705=8...(11) HA ALA 71 - H GLU 77 OK 13 68 - 19 - 4211/5796=5, 3223/4.6=2...(6) Peak 358 from nnoeabs.peaks (1.95, 8.26, 115.68 ppm; 3.06 A): 6 out of 15 assignments used, quality = 0.95: HB2 GLU 77 + H GLU 77 OK 67 95 - 71 - 4.0=44, 1.8/3269=14...(11) * HB2 LEU 76 + H GLU 77 OK 58 100 - 58 - 4.6=30, 4.0/356=9...(9) HB3 GLU 22 + H GLU 77 OK 32 100 - 33 - 3263=6, 3.0/875=4...(14) HB2 GLU 33 + H GLU 77 OK 23 100 - 24 - 2049/4.0=4, 3.0/878=3...(8) HB VAL 20 + H GLU 77 OK 18 99 - 18 - 2.1/362=3, 2.1/5808=2...(7) HB3 PRO 81 + H GLU 77 OK 12 73 - 17 - ~6049=4, 3.9/356=4...(7) QE MET 48 - H GLU 77 poor 9 92 - 10 - 4864/4.6=2 HD2 LYS 78 - H GLU 77 poor 9 71 - 13 - 6.2/1009=3, 2.9/359=2...(5) HG2 PRO 19 - H GLU 77 lone 8 93 - 8 - ~4369=1, 3259/2.9=1 HG3 PRO 81 - H GLU 77 lone 4 68 - 6 - 4108/4.6=1 HB2 GLU 51 - H GLU 77 lone 4 78 - 5 - HG3 PRO 84 - H GLU 77 lone 3 100 - 3 - HB VAL 47 - H GLU 77 lone 3 92 - 4 - HB2 GLN 58 - H GLU 77 lone 3 92 - 3 - HG3 GLU 49 - H GLU 77 lone 2 85 - 2 - Peak 359 from nnoeabs.peaks (1.46, 8.26, 115.68 ppm; 3.84 A): 4 out of 8 assignments used, quality = 0.93: * HB3 LEU 76 + H GLU 77 OK 82 100 - 82 - 4.6=59, 4.0/356=15...(10) HG3 LYS 78 + H GLU 77 OK 29 99 - 29 - 4.9/1009=10, 3218/3.6=4...(8) HD2 LYS 64 + H GLU 77 OK 26 99 - 26 - 2.9/362=5, 5438/4.6=4...(8) HG2 LYS 65 + H GLU 77 OK 26 89 - 29 - 3.0/4032=5, 3.7/4031=4...(10) HG LEU 79 - H GLU 77 OK 23 95 - 25 - 2.1/362=4, 5864/4.6=4...(7) HB3 LYS 64 - H GLU 77 OK 20 78 - 25 - 3.0/362=5, 3.0/4169=3...(8) HG LEU 12 - H GLU 77 OK 11 100 - 11 - 2.1/5808=2, 885/4.6=2 HB3 ARG 45 - H GLU 77 lone 4 98 - 4 - Peak 360 from nnoeabs.peaks (1.81, 8.26, 115.68 ppm; 4.24 A): 7 out of 13 assignments used, quality = 0.92: * HG LEU 76 + H GLU 77 OK 63 100 - 63 - 4.9/356=15, 3.0/4077=14...(10) HB3 GLU 33 + H GLU 77 OK 39 99 - 40 - 3.0/878=6, 2055/4.0=5...(13) HB2 LYS 65 + H GLU 77 OK 32 83 - 39 - 4032=7, 3.8/997=5...(11) HD3 LYS 78 + H GLU 77 OK 21 73 - 29 - 6.2/1009=8, 2.9/359=5...(7) HB2 MET 48 + H GLU 77 OK 13 93 - 14 - 3226/4.6=2, 3219/3.6=2...(5) HG2 GLU 51 + H GLU 77 OK 11 100 - 11 - 3219/3.6=2, 3226/4.6=2...(4) HG3 GLU 51 + H GLU 77 OK 11 100 - 11 - 3219/3.6=2, 3226/4.6=2...(4) HB2 ARG 28 - H GLU 77 lone 6 81 - 8 - ~6049=2 HB2 GLU 37 - H GLU 77 lone 6 99 - 6 - HB2 LYS 44 - H GLU 77 lone 6 99 - 6 - HB2 LYS 31 - H GLU 77 lone 6 81 - 7 - HG3 GLU 37 - H GLU 77 lone 5 83 - 6 - HB2 LYS 91 - H GLU 77 lone 3 92 - 3 - Peak 361 from nnoeabs.peaks (0.88, 8.26, 115.68 ppm; 3.95 A): 7 out of 7 assignments used, quality = 0.95: * QD1 LEU 76 + H GLU 77 OK 67 100 - 67 - 4.8/356=13, 4080=13...(15) QB ALA 75 + H GLU 77 OK 60 96 - 63 - 3.6/356=18, 2.9/1087=12...(16) QD2 LEU 30 + H GLU 77 OK 19 96 - 20 - 2.1/5808=3, 3220/3.6=2...(6) HD3 LYS 26 + H GLU 77 OK 19 89 - 21 - 4525/3.6=6, 3227/4.6=3...(5) QD1 LEU 87 + H GLU 77 OK 18 96 - 19 - 4131=2, 3220/3.6=2...(8) QD1 LEU 85 + H GLU 77 OK 15 98 - 15 - 4131=2, 3220/3.6=1...(7) HB3 LEU 30 + H GLU 77 OK 13 89 - 15 - 3.1/5808=3, 3220/3.6=2...(6) Peak 362 from nnoeabs.peaks (0.71, 8.26, 115.68 ppm; 4.49 A): 4 out of 5 assignments used, quality = 0.95: * QD2 LEU 76 + H GLU 77 OK 78 100 - 78 - 4.8/356=17, 3251/3.6=16...(17) QG2 VAL 20 + H GLU 77 OK 45 93 - 48 - 4404/2.9=8, 2.1/5808=6...(13) HG3 LYS 64 + H GLU 77 OK 44 97 - 45 - 3221/3.6=8, 3235/4.6=7...(14) QD1 LEU 79 + H GLU 77 OK 29 81 - 36 - 3221/3.6=6, 5866/4.6=6...(10) QG1 VAL 50 - H GLU 77 OK 19 85 - 22 - 3221/3.6=4, 873/4.6=3...(7) Peak 363 from nnoeabs.peaks (8.26, 7.20, 115.52 ppm; 3.33 A): 4 out of 6 assignments used, quality = 0.84: * H GLU 77 + H LYS 78 OK 69 100 - 69 - 4.6=39, 3269/4.1=9...(11) H ASP 88 + H LYS 78 OK 22 95 - 24 - 3.6/881=3, 4.6/1010=3...(9) H VAL 66 + H LYS 78 OK 21 100 - 21 - 3257/3.6=2, 4.6/5823=2...(8) H ALA 86 + H LYS 78 OK 18 95 - 19 - 4.6/1010=3, 405/2.9=2...(7) H LYS 64 - H LYS 78 lone 5 63 - 8 - 4.6/5823=2 H GLY 16 - H LYS 78 lone 3 65 - 4 - Peak 364 from nnoeabs.peaks (3.87, 7.20, 115.52 ppm; 3.99 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 77 + H LYS 78 OK 100 100 - 100 - 3.6=100 HA GLU 22 - H LYS 78 OK 33 85 - 39 - 3270/4.1=5, 3.0/4083=5...(13) HA ALA 69 - H LYS 78 OK 11 100 - 11 - 5577/4.1=1, 875/4.6=1...(4) HA3 GLY 29 - H LYS 78 lone 7 100 - 6 - Peak 365 from nnoeabs.peaks (1.96, 7.20, 115.52 ppm; 3.19 A): 5 out of 15 assignments used, quality = 0.92: * HB2 GLU 77 + H LYS 78 OK 67 100 - 67 - 4.1=48, 1.8/4084=12...(7) HB2 LEU 76 + H LYS 78 OK 45 95 - 47 - 2.9/4240=9, 4.6/1009=7...(13) HB3 PRO 81 + H LYS 78 OK 27 97 - 28 - 2.3/883=5, 3.0/5910=5...(9) HB3 GLU 22 + H LYS 78 OK 25 90 - 28 - 4083=4, 3.0/364=4...(9) HG2 PRO 19 + H LYS 78 OK 18 100 - 18 - 1.8/883=5, 3.8/5820=2...(6) HB2 GLU 33 - H LYS 78 OK 17 90 - 19 - 2049/4.1=3, 2048/4.9=3...(8) HB2 PRO 19 - H LYS 78 OK 15 81 - 19 - 2.3/883=4, 2.3/5820=2...(6) HB2 GLU 51 - H LYS 78 OK 13 98 - 14 - 1.8/884=2, 4.6/5093=2...(4) HB3 PRO 19 - H LYS 78 OK 13 71 - 19 - 2.3/883=4, 2.3/5820=2...(6) HG3 PRO 84 - H LYS 78 lone 9 97 - 10 - 2.3/883=2, ~3289=1 HB VAL 20 - H LYS 78 poor 9 81 - 11 - 6154/3.6=2, 2.1/5811=1 HB2 GLN 58 - H LYS 78 lone 7 100 - 7 - 4.6/1010=1 HE3 LYS 68 - H LYS 78 lone 4 63 - 7 - 1.8/367=1 QE MET 48 - H LYS 78 lone 4 63 - 6 - HB VAL 47 - H LYS 78 lone 2 63 - 3 - Peak 366 from nnoeabs.peaks (2.07, 7.20, 115.52 ppm; 3.36 A): 4 out of 8 assignments used, quality = 0.93: * HB3 GLU 77 + H LYS 78 OK 75 100 - 75 - 4.1=56, 1.8/4083=13...(10) HA ALA 75 + H LYS 78 OK 48 92 - 52 - 4235=15, 3.6/1098=7...(12) HG2 GLU 22 + H LYS 78 OK 27 100 - 28 - 1567/3.6=5, 4.0/364=4...(11) HB2 MET 21 + H LYS 78 OK 24 98 - 24 - 3.0/1100=7, 1518/4.9=4...(7) HG3 GLU 33 - H LYS 78 OK 23 99 - 23 - 1.8/367=3, 2064/4.1=3...(11) HB3 GLU 25 - H LYS 78 OK 19 63 - 30 - 1.8/882=5, 3.0/367=4...(12) HG3 GLN 55 - H LYS 78 OK 19 60 - 31 - 1.8/5100=4, 2.9/5186=4...(11) QE MET 21 - H LYS 78 OK 17 97 - 18 - 5.3/1100=4, 1546/4.9=3...(5) Peak 367 from nnoeabs.peaks (2.22, 7.20, 115.52 ppm; 4.79 A): 2 out of 4 assignments used, quality = 0.99: * HG2 GLU 77 + H LYS 78 OK 98 100 - 98 - 4.9=92, 3.0/4084=21...(11) HG2 GLU 25 + H LYS 78 OK 61 100 - 61 - 3261/3.6=12, 878/4.6=10...(14) HG2 GLU 33 - H LYS 78 OK 41 100 - 41 - 3261/3.6=7, 2061/4.1=7...(10) HE2 LYS 68 - H LYS 78 OK 21 99 - 21 - 3261/3.6=2, 878/4.6=2...(9) Peak 368 from nnoeabs.peaks (2.46, 7.20, 115.52 ppm; 5.79 A): 3 out of 4 assignments used, quality = 1.00: * HG3 GLU 77 + H LYS 78 OK 100 100 - 100 - 4.9=100 HG3 GLU 25 + H LYS 78 OK 67 95 - 71 - 3262/3.6=15, 1.8/367=13...(16) HG3 MET 21 + H LYS 78 OK 53 100 - 53 - 4.0/1100=16, 3262/3.6=9...(9) HB3 ASP 43 - H LYS 78 lone 4 81 - 5 - Peak 369 from nnoeabs.peaks (7.20, 8.19, 115.31 ppm; 2.90 A): 3 out of 3 assignments used, quality = 0.90: QD PHE 80 + H LEU 79 OK 57 100 - 58 - 4710/4.0=10, 4.4/379=8...(17) * H LYS 78 + H LEU 79 OK 56 100 - 56 - 4.6=25, 4.0/4089=5...(15) QE PHE 57 + H LEU 79 OK 45 95 - 48 - 2.2/5853=6, 4660/4.4=6...(14) Peak 370 from nnoeabs.peaks (4.26, 8.19, 115.31 ppm; 4.05 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 78 + H LEU 79 OK 100 100 - 100 - 3.6=100 HA LEU 87 - H LEU 79 OK 36 95 - 38 - 3619=5, 3308/4.4=5...(14) HA VAL 52 - H LEU 79 OK 28 92 - 30 - 5844/4.8=4, 5097/4.6=4...(11) HA LEU 85 - H LEU 79 OK 25 100 - 25 - 3.6/1014=4, 3308/4.4=3...(10) HA ASP 53 - H LEU 79 OK 16 85 - 18 - 5843/4.8=5, 5844/4.8=3...(7) HA ALA 89 - H LEU 79 lone 7 100 - 7 - 3308/4.4=1, 3298/4.4=1 HA3 GLY 39 - H LEU 79 lone 3 92 - 3 - Peak 371 from nnoeabs.peaks (1.99, 8.19, 115.31 ppm; 3.56 A): 3 out of 12 assignments used, quality = 0.95: * HB2 LYS 78 + H LEU 79 OK 81 100 - 81 - 4.4=54, 1.8/4089=14...(19) HB3 PRO 19 + H LEU 79 OK 52 97 - 53 - 3.0/891=7, 2.3/372=7...(23) HB2 PRO 19 + H LEU 79 OK 49 93 - 53 - 3.0/891=7, 2.3/372=7...(22) HB2 LEU 23 - H LEU 79 OK 30 78 - 38 - 1.8/892=7, 3.1/896=7...(13) HB3 PRO 81 - H LEU 79 OK 29 73 - 39 - 2.3/372=6, 3.0/5905=6...(13) HG2 GLU 49 - H LEU 79 OK 16 78 - 20 - 1.8/4941=4, 3.0/4934=3...(6) HE3 LYS 68 - H LEU 79 OK 15 99 - 15 - 3.7/896=2, 5566/4.8=2...(6) HB3 GLU 49 - H LEU 79 OK 14 73 - 19 - 3.0/4941=3, 1.8/4934=3...(5) HG2 PRO 84 - H LEU 79 OK 13 100 - 13 - 3289/3.6=2, 3309/4.4=2...(5) HB2 GLU 25 - H LEU 79 OK 11 100 - 11 - 882/4.6=2, 4.1/4487=2...(5) HB2 GLU 51 - H LEU 79 poor 8 68 - 12 - 3.0/5086=3, 1.8/373=2 HB2 LEU 34 - H LEU 79 lone 6 100 - 6 - Peak 372 from nnoeabs.peaks (1.87, 8.19, 115.31 ppm; 3.29 A): 7 out of 12 assignments used, quality = 0.95: * HB3 LYS 78 + H LEU 79 OK 74 100 - 74 - 4.4=43, 1.8/4088=11...(19) HG3 PRO 19 + H LEU 79 OK 47 100 - 47 - 2.3/891=7, 1484/2.9=7...(18) HG2 PRO 81 + H LEU 79 OK 38 97 - 39 - 2.3/5836=5, 1.8/375=5...(13) HB ILE 35 + H LEU 79 OK 14 100 - 14 - 3.2/4718=3, 2.1/4710=2...(5) HB3 PRO 84 + H LEU 79 OK 11 90 - 13 - 3290/3.6=2, 3300/4.4=2...(4) HB2 GLU 49 + H LEU 79 OK 11 71 - 16 - 3.0/4941=3, 3.0/4936=2...(5) HB3 GLN 58 + H LEU 79 OK 10 81 - 13 - 2.9/2759=2, 2.9/2767=2 HB2 GLU 22 - H LEU 79 poor 8 63 - 12 - 1.8/375=1, 4144/2.9=1...(4) HB3 MET 11 - H LEU 79 lone 7 78 - 9 - 4.2/1011=3 HB2 MET 11 - H LEU 79 lone 6 73 - 9 - 4.2/1011=3 HB3 GLU 37 - H LEU 79 lone 5 98 - 5 - HB VAL 66 - H LEU 79 lone 2 63 - 4 - 4.0/414=1 Peak 373 from nnoeabs.peaks (1.70, 8.19, 115.31 ppm; 4.33 A): 4 out of 9 assignments used, quality = 0.93: * HG2 LYS 78 + H LEU 79 OK 80 100 - 80 - 2.8/4089=17, 2.8/4088=15...(20) HB2 LEU 30 + H LEU 79 OK 35 97 - 36 - 3.1/896=6, 1.8/5834=6...(10) HB3 ARG 27 + H LEU 79 OK 30 100 - 31 - 3291/3.6=4, 3311/4.4=4...(10) HB3 GLU 51 + H LEU 79 OK 20 87 - 23 - 3.0/5086=5, 3291/3.6=3...(8) HB3 LYS 31 - H LEU 79 OK 19 100 - 19 - 3301/4.4=3, 3311/4.4=3...(5) HB3 LYS 17 - H LEU 79 OK 13 85 - 15 - 2.9/892=2, 2.9/892=2...(6) HB2 LYS 17 - H LEU 79 OK 12 83 - 15 - 2.9/892=2, 2.9/892=2...(6) HB3 LYS 91 - H LEU 79 lone 9 93 - 9 - 3291/3.6=2, 3301/4.4=2...(4) HD3 LYS 31 - H LEU 79 lone 4 63 - 6 - 3.6/376=1 Peak 374 from nnoeabs.peaks (1.46, 8.19, 115.31 ppm; 3.16 A): 5 out of 8 assignments used, quality = 0.95: HG LEU 79 + H LEU 79 OK 63 85 - 74 - 5.0=25, 3.0/893=22...(15) * HG3 LYS 78 + H LEU 79 OK 56 100 - 56 - 2.8/4089=9, 2.8/4088=8...(19) HB3 LEU 76 + H LEU 79 OK 44 99 - 44 - 2.9/6158=8, 4.0/5855=5...(18) HG LEU 12 + H LEU 79 OK 30 99 - 30 - 2.1/895=4, 3401/4.0=3...(14) HG2 LYS 65 + H LEU 79 OK 20 97 - 20 - 1.8/892=3, 3.0/3988=2...(11) HD2 LYS 64 - H LEU 79 lone 10 100 - 10 - HB3 LYS 64 - H LEU 79 lone 8 90 - 9 - 4.6/1011=2 HB3 ARG 45 - H LEU 79 lone 3 100 - 3 - Peak 375 from nnoeabs.peaks (1.92, 8.19, 115.31 ppm; 3.90 A): 4 out of 12 assignments used, quality = 0.93: * HD2 LYS 78 + H LEU 79 OK 68 100 - 68 - 3338/3.6=13, 3.7/4089=11...(18) HG3 PRO 81 + H LEU 79 OK 50 100 - 50 - 2.3/5836=8, 1.8/372=7...(13) HB2 LEU 76 + H LEU 79 OK 39 71 - 55 - 2.9/6158=13, 1.8/374=9...(16) HG3 GLU 49 + H LEU 79 OK 27 99 - 27 - 4941=5, 1.8/4936=4...(8) HB VAL 20 - H LEU 79 OK 18 89 - 20 - 2.1/895=5, 2.1/895=5...(5) HB VAL 47 - H LEU 79 OK 16 97 - 17 - 3.0/5837=6, ~5875=3, 2395/5837=2 HB3 GLU 22 - H LEU 79 OK 16 78 - 20 - 886/4.6=2, ~4144=2...(9) QE MET 48 - H LEU 79 OK 15 97 - 15 - 4868/4.8=2, 3293/3.6=1...(4) HG3 PRO 84 - H LEU 79 poor 10 63 - 15 - 2.3/372=2, 3303/4.4=2...(5) HB2 MET 11 - H LEU 79 poor 8 65 - 13 - 4.2/1011=5, 1.8/372=1 HB2 GLU 33 - H LEU 79 lone 8 78 - 10 - 886/4.6=1, 3293/3.6=1...(4) HB3 MET 11 - H LEU 79 poor 7 60 - 12 - 4.2/1011=5, 1.8/372=1 Peak 376 from nnoeabs.peaks (1.78, 8.19, 115.31 ppm; 4.63 A): 4 out of 14 assignments used, quality = 0.97: * HD3 LYS 78 + H LEU 79 OK 82 100 - 82 - 3348/3.6=17, 3.7/4089=15...(18) HG LEU 76 + H LEU 79 OK 49 73 - 67 - 3.6/6158=17, 4.9/5855=10...(18) HB2 LYS 65 + H LEU 79 OK 42 100 - 42 - 3.8/1011=5, 1.8/3988=5...(13) QB ALA 74 + H LEU 79 OK 39 99 - 40 - 4.4/5746=13, 5730/4.6=6...(10) HB2 ARG 27 - H LEU 79 OK 33 99 - 34 - 1.8/373=6, 3.5/5836=3...(10) HB2 LYS 31 - H LEU 79 OK 22 100 - 22 - 4599/3.6=4, 1.8/373=4...(5) QE MET 11 - H LEU 79 OK 20 92 - 22 - 4245/4.0=5, 4243/4.8=4...(6) HG2 GLU 51 - H LEU 79 OK 16 73 - 21 - 3.9/5086=5, 3.0/373=3...(8) HG3 GLU 51 - H LEU 79 OK 15 71 - 21 - 3.9/5086=5, 3.0/373=3...(8) HB2 MET 48 - H LEU 79 OK 15 97 - 15 - 4.0/375=2, 3314/4.4=1 HG3 GLU 37 - H LEU 79 OK 13 100 - 13 - 3314/4.4=2, 3294/3.6=1...(4) HB2 LYS 91 - H LEU 79 OK 10 98 - 10 - 1.8/373=2, 3294/3.6=1...(4) HB2 ARG 28 - H LEU 79 lone 10 100 - 10 - 4.0/5836=1 HB3 ARG 28 - H LEU 79 lone 8 89 - 9 - 4.0/5836=1 Peak 379 from nnoeabs.peaks (8.19, 7.86, 116.55 ppm; 2.95 A): 3 out of 4 assignments used, quality = 0.71: * H LEU 79 + H PHE 80 OK 63 100 - 63 - 1011=27, 4.0/382=12...(16) H LYS 56 + H PHE 80 OK 15 98 - 15 - 3377/3.6=3, 3384/4.6=2...(5) H LEU 87 + H PHE 80 OK 10 100 - 10 - 3377/3.6=2, 3384/4.6=2 HE21 GLN 58 - H PHE 80 poor 9 83 - 11 - 5905/4.8=2, 5912/4.8=2...(5) Peak 380 from nnoeabs.peaks (4.01, 7.86, 116.55 ppm; 3.70 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 79 + H PHE 80 OK 100 100 - 100 - 3.6=100 HD2 PRO 19 - H PHE 80 OK 32 89 - 37 - 3385/4.6=5, 3392/4.6=5...(11) HA PRO 19 - H PHE 80 OK 29 85 - 34 - 1456/3.6=8, 891/4.6=4...(10) HB3 SER 62 - H PHE 80 lone 3 89 - 4 - Peak 381 from nnoeabs.peaks (1.25, 7.86, 116.55 ppm; 3.75 A): 3 out of 9 assignments used, quality = 0.95: * HB2 LEU 79 + H PHE 80 OK 88 100 - 88 - 4.6=55, 1.8/382=33...(13) HB3 LEU 23 + H PHE 80 OK 39 99 - 40 - 3.1/385=7, 3.0/5882=6...(11) HG3 LYS 65 + H PHE 80 OK 31 96 - 32 - 1.8/2937=4, 2947=4...(12) HD3 LYS 68 - H PHE 80 poor 9 71 - 13 - 3.0/385=2, 3393/4.6=2...(4) HG3 LYS 56 - H PHE 80 poor 9 63 - 14 - 4.7/379=3, 892/4.6=2...(5) HG2 LYS 17 - H PHE 80 lone 9 95 - 9 - 3379/3.6=1, 892/4.6=1 HD2 LYS 68 - H PHE 80 poor 9 68 - 12 - 3.0/385=2, 3393/4.6=2 HG3 LYS 17 - H PHE 80 lone 8 85 - 9 - 3379/3.6=1 HG13 ILE 35 - H PHE 80 lone 5 78 - 7 - 4719/4.6=1, 3379/3.6=1 Peak 382 from nnoeabs.peaks (0.38, 7.86, 116.55 ppm; 4.08 A): 1 out of 1 assignment used, quality = 0.93: * HB3 LEU 79 + H PHE 80 OK 93 100 - 93 - 4.6=71, 893/4.6=23...(13) Peak 383 from nnoeabs.peaks (1.48, 7.86, 116.55 ppm; 4.16 A): 4 out of 9 assignments used, quality = 0.96: * HG LEU 79 + H PHE 80 OK 79 100 - 79 - 3.0/382=31, 2.1/385=17...(12) HB3 LEU 76 + H PHE 80 OK 50 95 - 53 - 2.9/5882=18, 3.1/5784=9...(10) HG LEU 12 + H PHE 80 OK 44 96 - 46 - 3401/4.6=6, 2.1/1187=6...(13) HG3 LYS 78 + H PHE 80 OK 38 85 - 45 - 4.9/5823=9, 5822/3.6=7...(11) QB ALA 72 - H PHE 80 OK 24 87 - 28 - 2.1/5882=7, 5682/4.8=4...(7) HD2 LYS 64 - H PHE 80 OK 17 83 - 21 - 5445/6.3=3, 4705/4.4=2...(9) HB2 LYS 56 - H PHE 80 OK 12 68 - 17 - 4.0/379=5, 2619/4.6=3...(6) HB3 ARG 45 - H PHE 80 lone 4 78 - 5 - 5.0/901=1 HG2 GLU 37 - H PHE 80 lone 3 65 - 4 - Peak 384 from nnoeabs.peaks (0.74, 7.86, 116.55 ppm; 3.85 A): 4 out of 6 assignments used, quality = 0.96: * QD1 LEU 79 + H PHE 80 OK 80 100 - 80 - 3.1/382=26, 2.1/385=15...(15) QD2 LEU 76 + H PHE 80 OK 46 81 - 57 - 4.0/5882=12, 5784=8...(14) QG2 VAL 20 + H PHE 80 OK 42 99 - 42 - 2.1/4415=8, 3.2/5879=8...(11) QD1 LEU 12 + H PHE 80 OK 40 98 - 41 - 1187=6, 3382/3.6=5...(12) QG1 VAL 20 - H PHE 80 OK 39 98 - 39 - 4415=9, 3.2/5879=8...(10) HG2 LYS 26 - H PHE 80 OK 15 97 - 16 - 4517/6.3=4, 5903/4.4=2...(7) Peak 385 from nnoeabs.peaks (0.78, 7.86, 116.55 ppm; 4.04 A): 5 out of 5 assignments used, quality = 0.95: * QD2 LEU 79 + H PHE 80 OK 82 100 - 82 - 3.1/382=29, 3413/3.6=22...(14) QD1 LEU 23 + H PHE 80 OK 53 100 - 53 - 4483/4.4=12, 5874/6.3=12...(11) HG3 LYS 68 + H PHE 80 OK 18 87 - 20 - 3383/3.6=4, 3397/4.6=4...(7) QD1 LEU 30 + H PHE 80 OK 17 92 - 19 - 6078/4.6=4, 6204/4.6=4...(5) QD1 LEU 73 + H PHE 80 OK 14 98 - 14 - 3383/3.6=3, 896/4.6=2...(4) Peak 386 from nnoeabs.peaks (4.41, 8.54, 120.09 ppm; 2.73 A): 1 out of 4 assignments used, quality = 0.67: * HA PRO 81 + H ASP 82 OK 67 100 - 67 - 3.6=44, 2.3/387=12...(10) HA ARG 28 - H ASP 82 lone 7 99 - 8 - 3470/3.9=2, 3477/3.9=1 HA GLN 55 - H ASP 82 lone 4 100 - 4 - HA TYR 70 - H ASP 82 lone 4 90 - 4 - Peak 387 from nnoeabs.peaks (2.29, 8.54, 120.09 ppm; 3.83 A): 1 out of 3 assignments used, quality = 0.98: * HB2 PRO 81 + H ASP 82 OK 98 100 - 98 - 3.9=92, 2.3/386=36...(9) HG3 GLN 58 - H ASP 82 OK 19 85 - 22 - 3464/3.6=8, 3478/3.9=5...(7) HG2 MET 11 - H ASP 82 OK 14 78 - 18 - 3464/3.6=5, 4105=3...(7) Peak 388 from nnoeabs.peaks (1.97, 8.54, 120.09 ppm; 3.61 A): 2 out of 16 assignments used, quality = 0.96: * HB3 PRO 81 + H ASP 82 OK 93 100 - 93 - 3.9=78, 2.3/386=34...(9) HB2 LEU 76 + H ASP 82 OK 32 73 - 43 - 3222=8, 1.8/3229=8...(8) HB2 GLN 58 - H ASP 82 OK 22 98 - 23 - 3477/3.6=6, 3478/3.9=4...(6) HB2 PRO 19 - H ASP 82 OK 17 97 - 18 - 4.9/391=4, 2.3/389=3...(5) HB2 GLU 77 - H ASP 82 OK 17 97 - 17 - 4.0/356=5, 4.1/1098=4...(4) HB3 PRO 19 - H ASP 82 OK 16 93 - 18 - 4.9/391=4, 2.3/389=3...(5) HG2 PRO 19 - H ASP 82 OK 15 97 - 15 - 1.8/389=4, 3465/3.6=2...(6) HB2 LYS 78 - H ASP 82 OK 14 73 - 19 - 4.0/1098=4, 1.8/389=4...(6) HG3 PRO 84 - H ASP 82 OK 13 81 - 16 - 2.3/389=4, 5926/4.5=3...(6) HG2 PRO 84 - H ASP 82 OK 12 68 - 18 - 2.3/389=4, 5926/4.5=2...(7) HB2 GLU 51 - H ASP 82 lone 7 100 - 7 - 2507/4.5=4, 3.9/1012=2 HB2 GLU 33 - H ASP 82 poor 7 65 - 11 - 3.0/904=3, 2045/3.0=1, ~2051=1 HB3 GLU 22 - H ASP 82 lone 5 65 - 7 - 1.8/389=1 HE3 LYS 68 - H ASP 82 lone 4 89 - 5 - 3.0/5923=1, 3.0/5923=1 HB2 LEU 34 - H ASP 82 lone 3 71 - 5 - 3.1/5923=2 HB2 GLU 25 - H ASP 82 lone 3 76 - 4 - Peak 389 from nnoeabs.peaks (1.86, 8.54, 120.09 ppm; 4.14 A): 5 out of 9 assignments used, quality = 0.93: * HG2 PRO 81 + H ASP 82 OK 80 100 - 80 - 2.3/387=28, 3.8/386=28...(11) HB3 PRO 84 + H ASP 82 OK 28 99 - 28 - 3466/3.6=6, 3473/3.9=5...(9) HB3 LYS 78 + H ASP 82 OK 27 97 - 28 - 4.0/1098=6, 4.4/5855=5...(8) HG3 PRO 19 + H ASP 82 OK 25 99 - 26 - 3466/3.6=4, 3473/3.9=3...(10) HB2 GLU 49 + H ASP 82 OK 10 92 - 11 - 3473/3.9=2, 3466/3.6=2...(4) HB2 GLU 22 - H ASP 82 poor 10 87 - 11 - 3466/3.6=2, 3473/3.9=1...(5) HB ILE 35 - H ASP 82 lone 7 95 - 7 - 3.0/5923=2 HB VAL 66 - H ASP 82 lone 5 87 - 6 - 4.5/5491=2 HB3 GLU 37 - H ASP 82 lone 3 100 - 3 - Peak 390 from nnoeabs.peaks (1.92, 8.54, 120.09 ppm; 3.80 A): 7 out of 13 assignments used, quality = 0.91: * HG3 PRO 81 + H ASP 82 OK 72 100 - 72 - 2.3/387=25, 3.8/386=24...(10) HB2 LEU 76 + H ASP 82 OK 32 68 - 47 - 3222=9, 1.8/3229=9...(9) HD2 LYS 78 + H ASP 82 OK 17 100 - 18 - 3.7/389=3, 6.2/1098=3...(7) HB VAL 47 + H ASP 82 OK 15 97 - 15 - 3.0/5924=6, 4.4/4902=2...(5) HB VAL 20 + H ASP 82 OK 14 87 - 16 - 3.0/391=6, 3467/3.6=2...(5) HG3 PRO 84 + H ASP 82 OK 13 60 - 22 - 2.3/389=4, 3492/3.9=4...(8) HB3 GLN 58 + H ASP 82 OK 12 60 - 20 - 2750/3.9=4, 2.9/387=4...(5) HB2 GLU 33 - H ASP 82 poor 10 76 - 13 - 3.0/904=3, 2045/3.0=2, ~2051=1 HB2 MET 11 - H ASP 82 poor 8 68 - 12 - 3.0/387=3, 1128/3.9=2...(5) QE MET 48 - H ASP 82 lone 8 97 - 9 - 6.2/4902=1, 4891/3.0=1 HG3 GLU 49 - H ASP 82 lone 8 99 - 8 - 3.0/389=1, 3467/3.6=1 HB3 MET 11 - H ASP 82 poor 7 63 - 12 - 3.0/387=3, 1128/3.9=2...(5) HB3 GLU 22 - H ASP 82 lone 7 76 - 9 - 1.8/389=2, 3467/3.6=1 Peak 391 from nnoeabs.peaks (3.38, 8.54, 120.09 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.94: * HD2 PRO 81 + H ASP 82 OK 89 100 - 89 - 3.6/386=37, 3.0/387=32...(13) HA VAL 20 + H ASP 82 OK 42 100 - 42 - 3468/3.6=12, 3475/3.9=10...(11) Peak 392 from nnoeabs.peaks (3.16, 8.54, 120.09 ppm; 4.95 A): 2 out of 5 assignments used, quality = 0.94: * HD3 PRO 81 + H ASP 82 OK 89 100 - 89 - 3.6/386=37, 3.0/387=32...(15) HB2 PHE 80 + H ASP 82 OK 48 78 - 61 - 3.0/5924=22, 4.8/391=17...(12) HB2 PHE 57 - H ASP 82 OK 23 98 - 24 - 3469/3.6=4, 3476/3.9=4...(8) HD2 ARG 28 - H ASP 82 OK 22 100 - 22 - 3469/3.6=7, 3476/3.9=4...(4) HD2 ARG 27 - H ASP 82 poor 8 63 - 13 - 3469/3.6=1 Peak 393 from nnoeabs.peaks (8.54, 8.07, 116.49 ppm; 3.50 A): 2 out of 3 assignments used, quality = 0.81: * H ASP 82 + H THR 83 OK 79 100 - 79 - 4.5=46, 3.0/394=26...(8) H GLY 61 + H THR 83 OK 11 99 - 11 - 5374/4.6=3, 3498/3.6=2...(4) H LEU 76 - H THR 83 lone 9 100 - 9 - 3498/3.6=3, 4104/5930=1 Peak 394 from nnoeabs.peaks (4.62, 8.07, 116.49 ppm; 2.91 A): 1 out of 10 assignments used, quality = 0.75: * HA ASP 82 + H THR 83 OK 75 100 - 76 - 3.6=55, 3.0/1012=16...(8) HA GLU 33 - H THR 83 lone 7 92 - 7 - 4109=3, 2.9/4639=1 HA ASP 43 - H THR 83 lone 3 96 - 3 - HA LEU 12 - H THR 83 lone 2 97 - 2 - HA LYS 31 - H THR 83 lone 2 83 - 2 - 3.0/6067=1 HA ASN 63 - H THR 83 lone 1 100 - 1 - HA ARG 27 - H THR 83 lone 1 100 - 1 - HA THR 38 - H THR 83 lone 1 100 - 1 - HA ASN 24 - H THR 83 lone 1 97 - 1 - HA HIS 42 - H THR 83 lone 1 92 - 1 - Peak 395 from nnoeabs.peaks (2.69, 8.07, 116.49 ppm; 3.64 A): 2 out of 4 assignments used, quality = 0.82: * HB2 ASP 82 + H THR 83 OK 78 100 - 78 - 4.6=51, 3.0/394=27...(4) HB2 ASP 88 + H THR 83 OK 20 83 - 24 - 1.8/396=8, 4110=6...(5) HE3 LYS 44 - H THR 83 lone 1 65 - 1 - HB3 ASN 90 - H THR 83 lone 1 60 - 1 - Peak 396 from nnoeabs.peaks (2.59, 8.07, 116.49 ppm; 3.84 A): 2 out of 4 assignments used, quality = 0.89: * HB3 ASP 82 + H THR 83 OK 85 100 - 85 - 4.6=60, 1.8/395=31...(5) HB3 ASP 88 + H THR 83 OK 28 98 - 29 - 4111=9, 1.8/395=8...(5) HB2 PHE 46 - H THR 83 lone 7 99 - 6 - 3501/3.6=2, 906/4.5=2 HB2 ASP 43 - H THR 83 lone 5 92 - 5 - 2239/3.6=2, 3.0/394=1 Peak 397 from nnoeabs.peaks (4.37, 8.31, 122.42 ppm; 2.83 A): 2 out of 3 assignments used, quality = 0.66: * HA PRO 84 + H LEU 85 OK 61 100 - 61 - 3.6=50, 2.3/4116=8...(8) HA ILE 35 + H LEU 85 OK 12 98 - 13 - 3550/4.3=4, 3543/4.3=3...(5) HA ARG 45 - H LEU 85 lone 2 95 - 2 - Peak 398 from nnoeabs.peaks (2.25, 8.31, 122.42 ppm; 4.29 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 84 + H LEU 85 OK 100 100 - 100 - 4.3=100 HG3 MET 11 - H LEU 85 OK 21 100 - 21 - 3537/3.6=8, 3551/4.3=6...(5) HG3 GLN 58 - H LEU 85 OK 14 83 - 17 - 3537/3.6=5, 3551/4.3=4...(4) HE2 LYS 68 - H LEU 85 lone 5 60 - 9 - 3537/3.6=2, 3551/4.3=2 Peak 399 from nnoeabs.peaks (1.85, 8.31, 122.42 ppm; 4.19 A): 1 out of 9 assignments used, quality = 0.98: * HB3 PRO 84 + H LEU 85 OK 98 100 - 98 - 4.3=95, 2.3/397=38...(8) HB ILE 35 - H LEU 85 OK 23 85 - 27 - 2118/3.6=8, 3.0/397=7...(5) HG3 PRO 19 - H LEU 85 OK 21 95 - 22 - 3538/3.6=5, 3545/4.3=4...(9) HB3 LYS 78 - H LEU 85 OK 19 90 - 21 - 3308/2.9=4, 3.0/912=3...(9) HB2 GLU 49 - H LEU 85 OK 18 98 - 18 - 3538/3.6=4, 3545/4.3=3...(7) HG2 PRO 81 - H LEU 85 OK 14 99 - 14 - 3538/3.6=4, 3545/4.3=4...(4) HB2 GLU 22 - H LEU 85 OK 13 96 - 13 - 5958/4.7=2, 1554/4.6=2...(6) HB3 GLU 37 - H LEU 85 OK 11 99 - 11 - 2176=2, 1.8/2170=1, 4.4/172=1 HB VAL 66 - H LEU 85 lone 9 96 - 9 - 4.0/1013=2, 2176=1 Peak 400 from nnoeabs.peaks (2.00, 8.31, 122.42 ppm; 6.20 A): 5 out of 12 assignments used, quality = 0.96: * HG2 PRO 84 + H LEU 85 OK 78 100 - 78 - 3.8/397=40, 2.3/403=27...(7) HB2 LYS 78 + H LEU 85 OK 37 100 - 37 - 3298/2.9=5, ~3308=5...(11) HB3 PRO 19 + H LEU 85 OK 33 96 - 35 - 3553/4.3=8, 3539/3.6=7...(7) HG2 GLU 49 + H LEU 85 OK 33 83 - 40 - 4972/4.3=16, 2471/4.3=7...(8) HB2 PRO 19 + H LEU 85 OK 30 90 - 34 - 3553/4.3=7, 3539/3.6=7...(7) HB3 GLU 49 - H LEU 85 OK 24 78 - 30 - 2465/4.3=7, 3539/3.6=5...(8) HB2 LEU 23 - H LEU 85 OK 20 83 - 24 - 1590/4.7=3, 1589/5.1=3...(7) HE3 LYS 68 - H LEU 85 OK 18 98 - 18 - 3111/4.3=2, 3539/3.6=2...(6) HB2 LEU 34 - H LEU 85 OK 15 100 - 15 - 3.1/4683=4, 3539/3.6=2...(5) HB3 PRO 81 - H LEU 85 OK 15 68 - 21 - 3553/4.3=5, 3539/3.6=4...(6) HB2 GLU 25 - H LEU 85 lone 5 100 - 5 - HB2 GLU 51 - H LEU 85 lone 4 63 - 7 - ~5072=1 Peak 401 from nnoeabs.peaks (1.95, 8.31, 122.42 ppm; 5.83 A): 5 out of 15 assignments used, quality = 0.94: * HG3 PRO 84 + H LEU 85 OK 76 100 - 76 - 3.8/397=39, 2.3/403=26...(7) HG2 PRO 19 + H LEU 85 OK 37 97 - 38 - 1476/4.3=10, 3540/3.6=7...(8) HG3 GLU 49 + H LEU 85 OK 29 78 - 37 - 4983/4.3=12, 2477/4.3=6...(8) HB2 LEU 76 + H LEU 85 OK 23 100 - 23 - 4077/4.6=4, 6173/4.7=3...(5) HB3 GLU 22 + H LEU 85 OK 22 99 - 22 - 1.8/399=3, 1562/4.3=3...(8) HB2 GLN 58 - H LEU 85 OK 21 96 - 22 - 2.9/398=5, 4.3/991=4...(5) HB3 PRO 81 - H LEU 85 OK 20 81 - 25 - 3554/4.3=6, 3540/3.6=5...(6) HD2 LYS 78 - H LEU 85 OK 20 63 - 32 - ~3348=4, 3.7/399=4...(12) HB VAL 47 - H LEU 85 OK 18 87 - 20 - 2.1/917=3, 2.1/917=3...(9) HG3 PRO 81 - H LEU 85 OK 18 60 - 29 - 3564/3.6=7, 3565/4.3=6...(7) HB2 GLU 77 - H LEU 85 OK 13 97 - 13 - 4.0/1013=3, 3263/4.6=3 QE MET 48 - H LEU 85 OK 12 87 - 14 - 6.2/4901=1 HB2 GLU 33 - H LEU 85 lone 9 99 - 9 - HB VAL 20 - H LEU 85 lone 7 97 - 8 - HB2 GLU 51 - H LEU 85 lone 6 85 - 7 - ~5072=1 Peak 403 from nnoeabs.peaks (3.67, 8.31, 122.42 ppm; 5.12 A): 2 out of 2 assignments used, quality = 0.81: * HD3 PRO 84 + H LEU 85 OK 64 100 - 64 - 3.6/397=37, 3.0/4116=20...(6) HA2 GLY 16 + H LEU 85 OK 47 100 - 47 - 3542/3.6=13, 3556/4.3=13...(10) Peak 404 from nnoeabs.peaks (8.31, 8.25, 124.92 ppm; 2.40 A): 0 out of 6 assignments used, low quality = 0.31: ! H LEU 85 - H ALA 86 OK 31 100 - 31 - 4.6=14, 2.9/405=8...(6) H LYS 64 - H ALA 86 lone 2 89 - 3 - H ALA 60 - H ALA 86 lone 2 100 - 2 - H GLU 37 - H ALA 86 lone 2 97 - 2 - H GLY 16 - H ALA 86 lone 1 87 - 2 - H TYR 70 - H ALA 86 lone 1 65 - 1 - Peak 405 from nnoeabs.peaks (4.26, 8.25, 124.92 ppm; 2.66 A): 2 out of 7 assignments used, quality = 0.77: * HA LEU 85 + H ALA 86 OK 62 100 - 62 - 3.6=41, 2.9/404=18...(10) HA LEU 87 + H ALA 86 OK 39 90 - 44 - 2.9/411=11, 4127=8...(17) HA ALA 89 - H ALA 86 lone 9 99 - 10 - 2.1/920=3, 3675/2.9=2, 3.0/421=1 HA LYS 78 - H ALA 86 lone 9 100 - 9 - 2.9/363=2, 3.6/1014=2...(4) HA VAL 52 - H ALA 86 lone 2 96 - 2 - HA ASP 53 - H ALA 86 lone 2 78 - 3 - HA3 GLY 39 - H ALA 86 lone 1 96 - 1 - Peak 406 from nnoeabs.peaks (1.51, 8.25, 124.92 ppm; 3.83 A): 2 out of 16 assignments used, quality = 0.95: * HB2 LEU 85 + H ALA 86 OK 90 100 - 90 - 4.3=73, 4.0/404=24...(11) HB3 LEU 87 + H ALA 86 OK 50 85 - 59 - 3.9/411=16, 3.0/405=12...(14) HB3 LYS 26 - H ALA 86 OK 10 100 - 10 - 3.6/410=2, 3.6/409=1 HB2 LYS 56 - H ALA 86 lone 8 96 - 8 - 2619/4.6=2, 4.0/1014=2 HG LEU 30 - H ALA 86 poor 7 65 - 11 - 924/4.6=2, 3.0/409=2, 2.1/409=1 HD3 LYS 64 - H ALA 86 lone 7 97 - 7 - 3.8/920=1 QB ALA 72 - H ALA 86 lone 5 83 - 6 - 4.5/4226=1 QB ALA 71 - H ALA 86 lone 5 99 - 5 - HD2 LYS 56 - H ALA 86 lone 5 85 - 5 - 924/4.6=1, 5.8/1014=1 HG2 GLU 37 - H ALA 86 lone 4 97 - 4 - HD3 LYS 17 - H ALA 86 lone 4 100 - 4 - HD2 LYS 17 - H ALA 86 lone 4 100 - 4 - HG3 ARG 27 - H ALA 86 lone 3 100 - 3 - HG LEU 34 - H ALA 86 lone 3 100 - 3 - HB2 ARG 45 - H ALA 86 lone 2 100 - 2 - HB3 LYS 44 - H ALA 86 lone 2 63 - 2 - Peak 407 from nnoeabs.peaks (1.59, 8.25, 124.92 ppm; 4.13 A): 4 out of 12 assignments used, quality = 1.00: * HB3 LEU 85 + H ALA 86 OK 98 100 - 98 - 4.3=92, 4.0/404=28...(12) HB2 LEU 87 + H ALA 86 OK 66 99 - 67 - 3.9/1014=18, 3.0/405=13...(14) HG LEU 85 + H ALA 86 OK 63 93 - 67 - 5.1/404=19, 3.7/405=18...(11) HG LEU 87 + H ALA 86 OK 49 85 - 58 - 5.2/1014=13, 3.7/405=12...(12) HD3 LYS 65 - H ALA 86 OK 16 97 - 16 - 3.5/4032=2, 2.8/4034=2...(7) HD2 LYS 65 - H ALA 86 OK 16 95 - 16 - 3.5/4032=2, 2.8/4034=2...(7) HG LEU 73 - H ALA 86 poor 9 63 - 14 - 2.1/410=3, 2.1/5705=2...(5) HG LEU 23 - H ALA 86 lone 8 83 - 10 - 5.1/71=1, 2.1/409=1 HB2 LYS 68 - H ALA 86 lone 7 96 - 8 - 4.0/1049=2 HB2 LEU 12 - H ALA 86 lone 5 99 - 5 - HD2 LYS 14 - H ALA 86 lone 3 99 - 3 - HD3 LYS 14 - H ALA 86 lone 3 99 - 3 - Peak 408 from nnoeabs.peaks (1.60, 8.25, 124.92 ppm; 4.13 A): 4 out of 12 assignments used, quality = 1.00: HB3 LEU 85 + H ALA 86 OK 91 93 - 98 - 4.3=92, 4.0/404=28...(12) * HG LEU 85 + H ALA 86 OK 67 100 - 67 - 5.1/404=19, 3.7/405=18...(11) HB2 LEU 87 + H ALA 86 OK 65 99 - 66 - 3.9/1014=18, 3.0/405=13...(14) HG LEU 87 + H ALA 86 OK 58 100 - 59 - 5.2/1014=13, 3.7/405=12...(12) HG LEU 73 - H ALA 86 OK 14 93 - 15 - 2.1/410=3, 2.1/5705=2...(5) HD3 LYS 65 - H ALA 86 OK 12 73 - 16 - 3.5/4032=2, 2.8/4034=2...(7) HG LEU 23 - H ALA 86 OK 11 99 - 11 - 5.1/71=1, 2.1/409=1 HD2 LYS 65 - H ALA 86 OK 10 65 - 16 - 3.5/4032=2, 2.8/4034=2...(7) HB2 LYS 68 - H ALA 86 lone 8 100 - 7 - 4.0/1049=2 HB2 LEU 12 - H ALA 86 lone 5 99 - 5 - HD2 LYS 14 - H ALA 86 lone 2 81 - 3 - HD3 LYS 14 - H ALA 86 lone 2 78 - 3 - Peak 409 from nnoeabs.peaks (0.89, 8.25, 124.92 ppm; 4.66 A): 3 out of 8 assignments used, quality = 0.95: * QD1 LEU 85 + H ALA 86 OK 75 100 - 76 - 4.7/404=28, 4.0/405=20...(10) QD1 LEU 87 + H ALA 86 OK 70 100 - 70 - 4.7/1014=19, 2.1/410=13...(13) QD1 LEU 76 + H ALA 86 OK 30 98 - 30 - 4080=6, 2.1/4081=4...(9) HD3 LYS 26 - H ALA 86 OK 20 99 - 20 - 1.8/410=4, 1731/4.3=2...(8) QB ALA 75 - H ALA 86 OK 19 81 - 24 - 2.1/4234=4, 2.9/1087=4...(7) HB3 LEU 30 - H ALA 86 OK 19 99 - 19 - 926/4.6=4, 1894/4.3=2...(6) QD2 LEU 30 - H ALA 86 OK 14 81 - 18 - 6205/4.6=6, 2.1/406=2...(6) QD2 LEU 23 - H ALA 86 OK 12 76 - 16 - 4.8/71=2, 1610/4.3=2...(8) Peak 410 from nnoeabs.peaks (0.84, 8.25, 124.92 ppm; 4.65 A): 2 out of 7 assignments used, quality = 0.93: * QD2 LEU 85 + H ALA 86 OK 76 100 - 76 - 4.7/404=28, 4.0/405=20...(11) QD2 LEU 87 + H ALA 86 OK 71 99 - 72 - 4.7/1014=19, 5963/2.9=13...(13) QD2 LEU 73 - H ALA 86 OK 22 100 - 22 - 2.1/5705=3, 917/4.6=3...(9) HD2 LYS 26 - H ALA 86 OK 19 95 - 20 - 1.8/409=3, 1721/4.3=2...(8) QG2 ILE 35 - H ALA 86 lone 9 95 - 9 - 917/4.6=3, 4710/4.6=1 QG2 VAL 47 - H ALA 86 lone 8 100 - 8 - 917/4.6=1 QG1 VAL 47 - H ALA 86 lone 7 92 - 7 - 917/4.6=1 Peak 411 from nnoeabs.peaks (8.25, 8.19, 121.50 ppm; 2.56 A): 2 out of 5 assignments used, quality = 0.68: * H ALA 86 + H LEU 87 OK 51 100 - 51 - 4.6=17, 3.0/412=16...(11) H ASP 88 + H LEU 87 OK 35 100 - 35 - 4.6=17, 415/2.9=7...(9) H GLU 77 - H LEU 87 lone 7 95 - 7 - 4.6/1010=2, 3.6/6158=1 H VAL 66 - H LEU 87 lone 4 96 - 4 - H GLU 22 - H LEU 87 lone 3 89 - 3 - Peak 412 from nnoeabs.peaks (4.29, 8.19, 121.50 ppm; 2.80 A): 1 out of 4 assignments used, quality = 0.67: * HA ALA 86 + H LEU 87 OK 67 100 - 67 - 3.6=48, 2.1/413=15...(10) HA VAL 52 - H LEU 87 lone 7 83 - 8 - 6130/2.9=2 HA3 GLY 39 - H LEU 87 lone 1 83 - 1 - HA MET 11 - H LEU 87 lone 0 65 - 1 - Peak 413 from nnoeabs.peaks (1.34, 8.19, 121.50 ppm; 3.56 A): 1 out of 9 assignments used, quality = 0.97: * QB ALA 86 + H LEU 87 OK 97 100 - 97 - 3.7=91, 2.1/412=37...(10) QB ALA 89 - H LEU 87 OK 16 92 - 18 - 4126=4, 3615/3.6=3...(8) HB VAL 50 - H LEU 87 lone 8 90 - 8 - ~4580=2, ~5003=2 HB2 LYS 64 - H LEU 87 lone 3 81 - 3 - HG2 LYS 68 - H LEU 87 lone 2 65 - 4 - HG2 LYS 91 - H LEU 87 lone 2 97 - 2 - HG3 LYS 91 - H LEU 87 lone 2 97 - 2 - HG2 LYS 44 - H LEU 87 lone 2 60 - 3 - HG3 ARG 45 - H LEU 87 lone 1 76 - 2 - Peak 414 from nnoeabs.peaks (8.19, 8.25, 120.58 ppm; 3.77 A): 5 out of 12 assignments used, quality = 0.86: * H LEU 87 + H ASP 88 OK 75 100 - 75 - 4.6=54, 2.9/415=15...(9) H LEU 79 + H ASP 88 OK 22 100 - 22 - 370/3.6=4, 4.6/363=3...(8) H LYS 56 + H ASP 88 OK 12 97 - 12 - 3633/4.2=1, 3619/3.6=1 H LYS 56 + H GLU 22 OK 12 74 - 16 - 243/4.6=3, 3.6/4446=2...(4) H LEU 79 + H VAL 66 OK 12 68 - 17 - 1011/4.6=3, 4.6/363=3...(4) H LEU 79 - H GLU 22 lone 7 81 - 9 - 375/4.0=1, 2.9/1024=1 H LEU 87 - H VAL 66 lone 7 69 - 9 - 1015=2 H LYS 56 - H VAL 66 poor 7 63 - 10 - 242/4.4=2, 4.6/4033=2...(4) H LEU 87 - H GLU 22 lone 6 81 - 8 - 1015=1 HE21 GLN 58 - H GLU 22 poor 6 56 - 10 - HE21 GLN 58 - H ASP 88 lone 4 78 - 5 - HE21 GLN 58 - H VAL 66 lone 1 46 - 2 - Peak 415 from nnoeabs.peaks (4.24, 8.25, 120.58 ppm; 2.95 A): 5 out of 24 assignments used, quality = 0.83: * HA LEU 87 + H ASP 88 OK 67 100 - 67 - 3.6=56, 2.9/1015=9...(8) HA LEU 85 + H ASP 88 OK 24 90 - 26 - 4119=5, 2.9/1013=4...(13) HA LEU 30 + H ASP 88 OK 12 87 - 14 - 4127=2, 3634/4.2=1...(6) HA ALA 89 + H ASP 88 OK 11 98 - 12 - ~422=6, 2.1/3616=2 HA LYS 78 + H ASP 88 OK 11 95 - 12 - 2.9/363=3, 4087/4.6=2, 3.6/414=2 HA ASP 53 - H ASP 88 lone 5 99 - 5 - HA LYS 78 - H VAL 66 lone 4 60 - 7 - 2.9/363=3, 3294/4.4=1 HA LYS 78 - H GLU 22 lone 4 72 - 6 - ~364=1 HA LEU 87 - H GLU 22 lone 3 81 - 4 - HA LEU 87 - H VAL 66 lone 3 69 - 5 - 2.9/1015=1 HA LEU 85 - H GLU 22 lone 3 67 - 5 - HA VAL 52 - H ASP 88 lone 3 63 - 4 - 6130/3.6=1 HA LEU 85 - H VAL 66 lone 3 56 - 5 - 2.9/1013=1 HA ALA 89 - H GLU 22 lone 2 76 - 3 - HA LEU 30 - H GLU 22 lone 2 64 - 2 - HA3 GLY 39 - H GLU 22 lone 1 44 - 3 - HA3 GLY 39 - H ASP 88 lone 1 63 - 2 - HA ALA 89 - H VAL 66 lone 1 65 - 1 - HA VAL 52 - H GLU 22 lone 1 44 - 2 - HA LEU 30 - H VAL 66 lone 1 53 - 1 - HA ASP 53 - H VAL 66 lone 1 67 - 1 - HA ASP 53 - H GLU 22 lone 1 79 - 1 - HA3 GLY 39 - H VAL 66 lone 0 36 - 1 - HA VAL 52 - H VAL 66 lone 0 36 - 1 - Peak 416 from nnoeabs.peaks (1.60, 8.25, 120.58 ppm; 3.97 A): 2 out of 36 assignments used, quality = 0.98: * HB2 LEU 87 + H ASP 88 OK 91 100 - 91 - 4.2=84, 3.0/415=16...(8) HG LEU 87 + H ASP 88 OK 72 97 - 74 - 4.9=54, 3.7/415=13...(7) HB3 LEU 85 - H ASP 88 OK 41 99 - 42 - 4.0/1013=6, 3626/4.6=6...(13) HG LEU 85 - H ASP 88 OK 35 99 - 35 - 5.1/1013=5, 3.7/415=5...(13) HB2 LYS 68 - H VAL 66 OK 29 68 - 42 - 4177/3.6=14, 5520/4.7=14...(10) HD3 LYS 65 - H VAL 66 OK 23 53 - 44 - 3.5/4032=11, 3.5/4033=9...(12) HD2 LYS 65 - H VAL 66 OK 21 48 - 44 - 3.5/4032=11, 3.5/4033=9...(12) HD3 LYS 65 - H ASP 88 OK 16 87 - 18 - 3.5/4032=3, 3.5/4033=2...(6) HD2 LYS 65 - H ASP 88 OK 14 81 - 18 - 3.5/4032=3, 3.5/4033=2...(6) HB2 LEU 12 - H VAL 66 OK 14 69 - 20 - 1166/4.6=4, 4176/3.6=3...(9) HG LEU 23 - H ASP 88 OK 12 96 - 13 - 5.1/71=3, 4.3/4226=1, 4122=1 HG LEU 73 - H ASP 88 OK 12 83 - 14 - 2.1/5705=3, 3.7/4226=2...(4) HB2 LYS 68 - H ASP 88 OK 11 100 - 11 - 4.0/1049=3, 5520/310=1 HG LEU 23 - H GLU 22 OK 11 73 - 15 - 5.1/71=9, 4122=1, ~4164=1 HD2 LYS 14 - H VAL 66 poor 9 58 - 16 - 2914/3.6=3, 2924/4.4=3...(6) HD3 LYS 14 - H VAL 66 poor 9 56 - 16 - 2914/3.6=3, 2924/4.4=3...(6) HG LEU 73 - H GLU 22 poor 9 60 - 15 - 588/4.6=3, ~3197=2...(7) HG LEU 85 - H GLU 22 poor 9 79 - 11 - 2.1/4131=1, 1599/4.6=1 HB3 LEU 85 - H GLU 22 poor 9 77 - 11 - 1.8/4120=1, 4.0/1013=1...(6) HB2 LEU 87 - H GLU 22 lone 8 81 - 9 - 588/4.6=1, 4128=1, 3.1/4131=1 HG LEU 87 - H GLU 22 lone 7 74 - 10 - 1599/4.6=2, 2.1/4131=1 HB2 LEU 87 - H VAL 66 poor 7 69 - 10 - 4128=1, 3.9/1015=1, 1.8/4129=1 HB3 LEU 85 - H VAL 66 poor 7 65 - 10 - 4.0/1013=2, 4128=1 HG LEU 85 - H VAL 66 lone 6 67 - 9 - 5.1/1013=1, 2.1/4124=1 HG LEU 73 - H VAL 66 poor 6 50 - 13 - 2.1/5705=4, 3.7/4226=2 HG LEU 87 - H VAL 66 lone 6 63 - 9 - 2.1/4132=1 HB2 LEU 12 - H ASP 88 lone 6 100 - 5 - HG LEU 23 - H VAL 66 lone 5 61 - 8 - 4176/3.6=1, 4.3/4226=1 HB2 LYS 68 - H GLU 22 lone 5 80 - 6 - 588/4.6=1 HB2 LEU 12 - H GLU 22 lone 4 81 - 5 - HD2 LYS 14 - H ASP 88 lone 3 92 - 3 - HD3 LYS 14 - H ASP 88 lone 3 90 - 3 - HD3 LYS 65 - H GLU 22 lone 3 64 - 4 - HD2 LYS 65 - H GLU 22 lone 3 58 - 4 - HD2 LYS 14 - H GLU 22 lone 1 69 - 1 - HD3 LYS 14 - H GLU 22 lone 1 67 - 1 - Peak 417 from nnoeabs.peaks (1.53, 8.25, 120.58 ppm; 3.79 A): 5 out of 39 assignments used, quality = 0.94: * HB3 LEU 87 + H ASP 88 OK 84 100 - 84 - 4.2=73, 3.0/415=15...(7) HB2 LEU 85 + H ASP 88 OK 31 85 - 37 - 4.0/1013=6, 3.0/415=5...(13) HG LEU 30 + H ASP 88 OK 25 99 - 26 - 1898/3.6=5, 1897/4.6=4...(11) HG3 ARG 27 + H VAL 66 OK 13 59 - 23 - 1797/3.0=4, 5466/4.0=4...(9) HD3 LYS 64 + H VAL 66 OK 11 65 - 17 - 5.0/4169=5, 5466/4.0=2...(6) HB3 LYS 26 - H ASP 88 poor 10 93 - 11 - 1695/4.8=2, 1694/4.8=2 HD2 LYS 56 - H VAL 66 poor 8 69 - 12 - 5466/4.0=3, 3.0/4035=2...(5) HD2 LYS 56 - H ASP 88 lone 8 100 - 8 - 924/4.6=2 HB3 LYS 44 - H VAL 66 poor 8 65 - 12 - 5466/4.0=3 QB ALA 71 - H ASP 88 lone 8 96 - 8 - HD3 LYS 17 - H GLU 22 poor 7 54 - 13 - 3.7/4314=3, 3.7/4314=3...(4) HD2 LYS 17 - H GLU 22 poor 7 54 - 13 - 3.7/4314=3, 3.7/4314=3...(4) HB3 LEU 87 - H GLU 22 lone 7 81 - 8 - HD2 LYS 56 - H GLU 22 lone 6 81 - 8 - ~6122=1 HB2 LEU 85 - H GLU 22 lone 6 62 - 10 - 4.0/1013=1, 4120=1, 3.1/4131=1 QB ALA 71 - H GLU 22 lone 6 73 - 8 - HB3 LEU 87 - H VAL 66 lone 6 69 - 8 - 3.9/411=1, 4129=1 HD3 LYS 64 - H ASP 88 lone 6 99 - 6 - 5.0/4169=1 HB3 LYS 26 - H GLU 22 lone 6 70 - 8 - 6119/5.0=1, 4458/5.0=1 HB3 LYS 44 - H ASP 88 lone 6 98 - 6 - HG LEU 34 - H VAL 66 poor 6 55 - 10 - 5466/4.0=3, ~3000=2, 2.1/824=2 HD3 LYS 64 - H GLU 22 lone 5 77 - 6 - 5439/4.0=2 QB ALA 71 - H VAL 66 lone 5 61 - 8 - 5632/1049=2, 5466/4.0=1 HB3 LYS 44 - H GLU 22 lone 5 76 - 6 - 4.0/1023=1 HB2 LEU 85 - H VAL 66 lone 4 52 - 8 - 4.0/1013=1, 1.8/4121=1 HG LEU 30 - H GLU 22 lone 4 77 - 5 - HG3 ARG 27 - H ASP 88 lone 4 93 - 4 - HD3 LYS 17 - H VAL 66 lone 4 45 - 9 - 3.7/4314=2, 3.7/4314=2 HD2 LYS 17 - H VAL 66 lone 4 45 - 9 - 3.7/4314=2, 3.7/4314=2 HD3 LYS 17 - H ASP 88 lone 3 76 - 4 - HD2 LYS 17 - H ASP 88 lone 3 76 - 4 - HG LEU 34 - H GLU 22 lone 3 66 - 5 - HB3 LYS 26 - H VAL 66 lone 3 59 - 5 - HG LEU 34 - H ASP 88 lone 3 89 - 3 - HG LEU 30 - H VAL 66 lone 2 65 - 3 - HG3 ARG 27 - H GLU 22 lone 2 70 - 3 - HB2 ARG 45 - H ASP 88 lone 1 76 - 2 - HB2 ARG 45 - H VAL 66 lone 1 45 - 2 - HB2 ARG 45 - H GLU 22 lone 1 54 - 1 - Peak 418 from nnoeabs.peaks (1.61, 8.25, 120.58 ppm; 3.97 A): 2 out of 39 assignments used, quality = 0.97: HB2 LEU 87 + H ASP 88 OK 88 97 - 91 - 4.2=84, 3.0/415=16...(7) * HG LEU 87 + H ASP 88 OK 74 100 - 74 - 4.9=54, 3.7/415=13...(7) HG LEU 85 - H ASP 88 OK 34 100 - 35 - 5.1/1013=5, 3.7/415=5...(12) HB3 LEU 85 - H ASP 88 OK 34 85 - 40 - 4.0/1013=6, 3626/4.6=5...(12) HB2 LYS 68 - H VAL 66 OK 27 66 - 41 - 4177/3.6=14, 5520/4.7=13...(9) HD3 LYS 65 - H VAL 66 OK 14 34 - 43 - 3.5/4032=11, 3.5/4033=9...(10) HG LEU 73 - H ASP 88 OK 14 98 - 14 - 2.1/5705=3, 3.7/4226=2...(4) HG LEU 23 - H ASP 88 OK 13 100 - 13 - 5.1/71=3, 4.3/4226=1, 4122=1 HG LEU 23 - H GLU 22 OK 12 81 - 15 - 5.1/71=9, 4130=1...(4) HG LEU 73 - H GLU 22 OK 12 76 - 16 - 588/4.6=3, ~3197=2...(8) HB2 LEU 12 - H VAL 66 OK 12 63 - 19 - 1166/4.6=4, 4176/3.6=3...(8) HB2 LYS 68 - H ASP 88 OK 11 99 - 11 - 4.0/1049=3, 5520/310=1 HD3 LYS 65 - H ASP 88 OK 10 60 - 17 - 3.5/4032=3, 3.5/4033=2...(6) HG LEU 85 - H GLU 22 poor 9 79 - 11 - 588/4.6=1, 2.1/4131=1 HG LEU 73 - H VAL 66 poor 8 65 - 13 - 2.1/5705=4, 3.7/4226=2 HG LEU 87 - H GLU 22 poor 8 81 - 10 - 588/4.6=2, 2.1/4131=1 HB2 LEU 87 - H GLU 22 lone 7 74 - 9 - 588/4.6=2, 4128=1, 3.1/4131=1 HB3 LEU 85 - H GLU 22 poor 7 62 - 11 - 1.8/4120=1, 4.0/1013=1...(6) HG LEU 87 - H VAL 66 lone 6 69 - 9 - 2.1/4132=1 HG LEU 85 - H VAL 66 lone 6 67 - 9 - 5.1/1013=1, 2.1/4124=1 HB2 LEU 87 - H VAL 66 lone 6 63 - 10 - 3.9/1015=1, 4128=1, 1.8/4129=1 HG LEU 23 - H VAL 66 lone 6 69 - 8 - 4176/3.6=1, 4.3/4226=1 HD2 LYS 14 - H VAL 66 poor 5 39 - 13 - 4176/3.6=3, 2924/4.4=2...(5) HB3 LEU 85 - H VAL 66 lone 5 52 - 10 - 4.0/1013=2, 4128=1 HD3 LYS 14 - H VAL 66 poor 5 38 - 13 - 4176/3.6=3, 2924/4.4=2...(5) HB2 LEU 12 - H ASP 88 lone 5 97 - 5 - HB2 LYS 68 - H GLU 22 lone 5 78 - 6 - 588/4.6=2 HB2 LEU 12 - H GLU 22 lone 3 74 - 5 - HD2 LYS 14 - H ASP 88 lone 2 68 - 3 - HD3 LYS 65 - H GLU 22 lone 2 42 - 4 - HD3 LYS 14 - H ASP 88 lone 2 65 - 3 - HD3 LYS 91 - H ASP 88 lone 1 65 - 2 - HD2 LYS 91 - H ASP 88 lone 1 63 - 2 - HD3 LYS 91 - H GLU 22 lone 1 46 - 2 - HD2 LYS 91 - H GLU 22 lone 1 44 - 2 - HD2 LYS 14 - H GLU 22 lone 1 48 - 1 - HD3 LYS 14 - H GLU 22 lone 1 46 - 1 - HD3 LYS 91 - H VAL 66 lone 1 38 - 1 - HD2 LYS 91 - H VAL 66 lone 1 36 - 1 - Peak 419 from nnoeabs.peaks (0.89, 8.25, 120.58 ppm; 4.82 A): 2 out of 24 assignments used, quality = 1.00: * QD1 LEU 87 + H ASP 88 OK 99 100 - 99 - 4.8=99 QD1 LEU 85 + H ASP 88 OK 49 100 - 49 - 4.7/1013=8, 4123=6...(13) HB3 LEU 30 - H ASP 88 OK 39 100 - 40 - 1891/3.6=9, 1894/4.2=6...(11) QD1 LEU 76 - H ASP 88 OK 35 96 - 36 - 4080=6, 2.1/4081=5...(8) QD1 LEU 76 - H GLU 22 OK 32 73 - 44 - 4451/4.0=11, 4461/5.0=7...(12) QD1 LEU 76 - H VAL 66 OK 31 61 - 51 - 4080=9, 2.1/4081=9...(10) QD2 LEU 30 - H ASP 88 OK 26 73 - 36 - 1912/3.6=7, 6205/4.6=6...(10) QB ALA 75 - H GLU 22 OK 22 52 - 42 - ~4163=8, 6110/4.6=7...(13) HD3 LYS 26 - H ASP 88 OK 20 100 - 20 - 1734/4.8=3, 1731/4.2=2...(7) QD2 LEU 23 - H ASP 88 OK 20 83 - 24 - 4.8/71=5, 5.0/1032=4...(8) QB ALA 75 - H ASP 88 OK 19 73 - 26 - 3.6/1008=5, 2.9/1087=4...(6) QD2 LEU 23 - H GLU 22 OK 18 60 - 30 - 4.8/71=15, 5.0/1032=11...(5) QD1 LEU 85 - H GLU 22 OK 18 80 - 22 - 5958/4.0=4, 4123=2...(11) HD3 LYS 26 - H GLU 22 OK 18 79 - 22 - 4451/4.0=5, 589/4.6=4...(7) QD1 LEU 87 - H GLU 22 OK 15 81 - 18 - 5958/4.0=3, 589/4.6=2...(7) HB3 LEU 30 - H GLU 22 OK 13 79 - 16 - 589/4.6=3, 4451/4.0=2...(5) QB ALA 75 - H VAL 66 OK 12 43 - 28 - 3.6/1008=6, 2.9/1087=5...(6) QD1 LEU 85 - H VAL 66 poor 9 68 - 13 - 4.7/1013=2, 2.1/4124=1...(5) QD1 LEU 87 - H VAL 66 poor 9 69 - 13 - 2.1/4132=2, 4123=1...(6) QD2 LEU 30 - H GLU 22 poor 8 52 - 15 - 4587/5.0=2, 4451/4.0=2...(6) HD3 LYS 26 - H VAL 66 lone 6 67 - 9 - QD2 LEU 23 - H VAL 66 poor 5 50 - 11 - 3.9/4226=2, 5181/4.4=1...(4) HB3 LEU 30 - H VAL 66 lone 4 67 - 6 - QD2 LEU 30 - H VAL 66 lone 3 43 - 6 - Peak 420 from nnoeabs.peaks (0.84, 8.25, 120.58 ppm; 4.91 A): 2 out of 27 assignments used, quality = 1.00: * QD2 LEU 87 + H ASP 88 OK 100 100 - 100 - 4.8=100 QD2 LEU 85 + H ASP 88 OK 52 99 - 53 - 4.7/1013=8, 3607/3.6=7...(13) QD2 LEU 73 - H ASP 88 OK 27 100 - 27 - 2.1/5705=4, 3200/4.9=3...(9) QD2 LEU 30 - H ASP 88 OK 26 71 - 37 - 1912/3.6=7, 6205/4.6=6...(11) HD2 LYS 26 - H ASP 88 OK 21 99 - 21 - 1725/4.8=3, 1721/4.2=3...(8) QB ALA 75 - H GLU 22 OK 20 50 - 40 - ~4163=9, 6110/4.6=7...(12) QB ALA 75 - H ASP 88 OK 19 71 - 27 - 3.6/1008=5, 2.1/4234=4...(6) QD2 LEU 73 - H GLU 22 OK 18 80 - 23 - 3197/3.0=4, 6147/4.0=3...(10) QD2 LEU 73 - H VAL 66 OK 16 68 - 24 - 2.1/5705=6, 3.9/4226=3...(8) HD2 LYS 26 - H GLU 22 OK 13 79 - 16 - 4464/5.0=4, 4461/5.0=2...(5) QB ALA 75 - H VAL 66 OK 12 41 - 29 - 3.6/1008=6, 2.9/1087=5...(7) QD2 LEU 85 - H GLU 22 OK 12 78 - 15 - 2.1/4131=2, 4.7/1013=2...(8) QD2 LEU 87 - H GLU 22 OK 11 81 - 14 - 2.1/4131=2, 4464/5.0=2...(5) QD2 LEU 87 - H VAL 66 OK 11 69 - 15 - 5959/1049=2, 4132=2...(6) QD2 LEU 85 - H VAL 66 poor 10 66 - 15 - 5959/1049=2, 4.7/1013=2...(6) QG2 ILE 35 - H VAL 66 poor 9 50 - 19 - 4738/3.6=5, 2128/4.0=4...(5) QG2 VAL 47 - H VAL 66 poor 8 68 - 12 - 4841/4.0=4, 4833/3.6=3 QD2 LEU 30 - H GLU 22 poor 8 50 - 15 - 4587/5.0=2, ~6032=2...(5) HD2 LYS 26 - H VAL 66 lone 7 67 - 10 - 4280/4.0=1 QG2 ILE 35 - H ASP 88 lone 6 83 - 7 - 4710/4.6=1 QG2 VAL 47 - H ASP 88 lone 6 100 - 5 - QG2 VAL 47 - H GLU 22 lone 4 80 - 5 - QG1 VAL 47 - H VAL 66 lone 4 46 - 9 - 4836/3.6=3, 4841/4.0=2 QG1 VAL 47 - H ASP 88 lone 4 78 - 5 - QG2 ILE 35 - H GLU 22 lone 4 60 - 6 - QD2 LEU 30 - H VAL 66 lone 3 41 - 6 - QG1 VAL 47 - H GLU 22 lone 2 56 - 4 - Peak 421 from nnoeabs.peaks (8.25, 8.11, 123.94 ppm; 5.34 A): 1 out of 5 assignments used, quality = 1.00: * H ASP 88 + H ALA 89 OK 100 100 - 100 - 4.6=100 H ALA 86 - H ALA 89 OK 39 100 - 40 - 4.3/6026=7, 2.9/3676=6...(12) H GLU 22 - H ALA 89 OK 15 89 - 17 - 960/4.6=3, 3661/3.6=3...(6) H VAL 66 - H ALA 89 OK 11 96 - 11 - 3661/3.6=3, 1016=1...(4) H GLU 77 - H ALA 89 lone 7 95 - 7 - 3661/3.6=2, 3669/4.4=1 Peak 422 from nnoeabs.peaks (4.53, 8.11, 123.94 ppm; 3.13 A): 1 out of 2 assignments used, quality = 0.72: * HA ASP 88 + H ALA 89 OK 72 100 - 72 - 3.6=68, 3.0/4135=10 HA SER 36 - H ALA 89 lone 0 60 - 1 - Peak 423 from nnoeabs.peaks (2.67, 8.11, 123.94 ppm; 4.89 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 88 + H ALA 89 OK 100 100 - 100 - 4.4=100 HB2 ASP 82 - H ALA 89 OK 27 83 - 33 - 3666/3.6=10, 1.8/424=10...(5) HE2 LYS 44 - H ALA 89 lone 5 81 - 6 - 3.5/934=1 Peak 424 from nnoeabs.peaks (2.58, 8.11, 123.94 ppm; 4.62 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 88 + H ALA 89 OK 100 100 - 100 - 4.4=100 HB3 ASP 82 - H ALA 89 OK 32 98 - 33 - 3670/3.6=11, 4135=9...(5) HB2 PHE 46 - H ALA 89 lone 5 100 - 4 - HB2 ASP 43 - H ALA 89 lone 3 99 - 3 - Peak 425 from nnoeabs.peaks (8.11, 8.38, 117.47 ppm; 4.77 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 89 + H ASN 90 OK 100 100 - 100 - 4.6=100 H LEU 30 - H ASN 90 OK 14 100 - 14 - 3673/3.6=5, 3676/3.6=3...(4) H ALA 71 - H ASN 90 lone 6 83 - 7 - 3676/3.6=2, 3673/3.6=2 H MET 11 - H ASN 90 lone 5 99 - 5 - 3673/3.6=1, 3676/3.6=1 Peak 426 from nnoeabs.peaks (4.25, 8.38, 117.47 ppm; 3.64 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 89 + H ASN 90 OK 100 100 - 100 - 3.6=100 HA LEU 87 - H ASN 90 lone 7 98 - 7 - 933/4.6=2, 3.6/960=2, 3677/3.6=1 HA LEU 30 - H ASN 90 lone 5 65 - 7 - 2.9/425=2, 933/4.6=2 HA3 GLY 39 - H ASN 90 lone 3 85 - 4 - HA LEU 85 - H ASN 90 lone 3 99 - 3 - 933/4.6=1 HA LYS 78 - H ASN 90 lone 2 100 - 2 - HA VAL 52 - H ASN 90 lone 2 85 - 2 - HA ASP 53 - H ASN 90 lone 1 92 - 2 - Peak 427 from nnoeabs.peaks (1.35, 8.38, 117.47 ppm; 4.67 A): 1 out of 11 assignments used, quality = 1.00: * QB ALA 89 + H ASN 90 OK 100 100 - 100 - 3.6=100 HB3 LYS 56 - H ASN 90 OK 26 78 - 33 - 3.0/936=6, 2630/3.0=5...(11) HG2 LYS 91 - H ASN 90 OK 22 100 - 22 - 4.6/1018=19, 3675/3.6=1 HG3 LYS 91 - H ASN 90 OK 22 100 - 22 - 4.6/1018=19, 3675/3.6=1 HG2 LYS 44 - H ASN 90 OK 21 93 - 22 - ~6081=6, 2285/4.0=5...(5) QB ALA 86 - H ASN 90 OK 11 92 - 12 - 3675/3.6=4, 3676/4.6=3, 4137=3 HB2 LYS 64 - H ASN 90 lone 6 99 - 6 - HG2 LYS 68 - H ASN 90 lone 5 96 - 6 - 934/4.6=1, 3675/3.6=1 HB3 LEU 12 - H ASN 90 lone 3 83 - 4 - QB ALA 67 - H ASN 90 lone 3 92 - 3 - QB ALA 69 - H ASN 90 lone 3 60 - 5 - 5572/4.6=1 Peak 428 from nnoeabs.peaks (8.38, 7.72, 126.14 ppm; 5.05 A): 1 out of 6 assignments used, quality = 1.00: * H ASN 90 + H LYS 91 OK 100 100 - 100 - 4.6=100 H LEU 23 - H LYS 91 OK 33 99 - 33 - 961=5, 3679/3.6=4...(11) H ARG 28 - H LYS 91 OK 11 68 - 16 - 4.0/943=2, 4.6/944=2...(7) H GLY 39 - H LYS 91 lone 7 100 - 7 - 3679/3.6=2, 3691/4.6=1 H GLY 40 - H LYS 91 lone 6 100 - 6 - 3679/3.6=1, 3691/4.6=1 H ALA 72 - H LYS 91 lone 3 60 - 5 - Peak 429 from nnoeabs.peaks (4.67, 7.72, 126.14 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 90 + H LYS 91 OK 100 100 - 100 - 3.6=100 HA LYS 56 - H LYS 91 OK 14 99 - 14 - 3692/4.6=4, 3686/4.6=3 HA PHE 57 - H LYS 91 lone 6 89 - 7 - 3692/4.6=2, 3686/4.6=2 Peak 430 from nnoeabs.peaks (2.83, 7.72, 126.14 ppm; 6.19 A): 1 out of 10 assignments used, quality = 1.00: * HB2 ASN 90 + H LYS 91 OK 100 100 - 100 - 4.6=100 HE2 LYS 56 - H LYS 91 OK 20 90 - 23 - 3681/3.6=7, 937/4.6=5...(5) HE3 LYS 56 - H LYS 91 OK 18 83 - 21 - 3681/3.6=6, 937/4.6=4...(5) HB3 ASN 24 - H LYS 91 OK 15 71 - 21 - 3.5/452=3, 3.5/446=3...(8) HB3 PHE 57 - H LYS 91 poor 8 63 - 13 - 3681/3.6=3, 3.0/429=3...(4) HB2 ASN 18 - H LYS 91 poor 7 65 - 10 - 3686/3.6=2, 937/4.6=1...(5) HB3 ASN 18 - H LYS 91 poor 7 63 - 10 - 3686/3.6=2, 937/4.6=1...(4) HE2 LYS 17 - H LYS 91 lone 5 93 - 5 - HE3 LYS 17 - H LYS 91 lone 3 73 - 4 - HB3 TYR 32 - H LYS 91 lone 3 73 - 4 - Peak 431 from nnoeabs.peaks (2.71, 7.72, 126.14 ppm; 5.48 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ASN 90 + H LYS 91 OK 100 100 - 100 - 4.6=100 HE3 LYS 44 - H LYS 91 OK 22 100 - 22 - 3682/3.6=7, 938/4.6=5...(6) HE3 LYS 64 - H LYS 91 lone 4 65 - 6 - 3682/3.6=1 HE2 LYS 64 - H LYS 91 lone 3 60 - 5 - HB2 ASP 82 - H LYS 91 lone 2 60 - 3 - Peak 435 from nnoeabs.peaks (4.85, 7.92, 114.69 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 18 + HD21 ASN 18 OK 100 100 - 100 - 4.6=100 Peak 436 from nnoeabs.peaks (2.86, 7.92, 114.69 ppm; 3.58 A): 2 out of 10 assignments used, quality = 1.00: * HB2 ASN 18 + HD21 ASN 18 OK 100 100 - 100 - 3.5=100 HB3 ASN 18 + HD21 ASN 18 OK 100 100 - 100 - 3.5=100 HB3 ASN 24 - HD21 ASN 18 OK 18 100 - 18 - 1429=3, 443/1.7=3...(6) HE3 LYS 17 - HD21 ASN 18 lone 8 100 - 8 - 442/1.7=1, 562/5.7=1, 1421/4.6=1 HE2 LYS 17 - HD21 ASN 18 lone 7 95 - 8 - 442/1.7=1, 562/5.7=1, 1421/4.6=1 HB3 TYR 32 - HD21 ASN 18 lone 6 100 - 6 - 442/1.7=1 HB3 ASN 63 - HD21 ASN 18 lone 6 100 - 6 - 443/1.7=1 HB2 ASN 90 - HD21 ASN 18 lone 2 65 - 3 - HE2 LYS 65 - HD21 ASN 18 lone 2 78 - 2 - HE3 LYS 65 - HD21 ASN 18 lone 1 68 - 2 - Peak 437 from nnoeabs.peaks (2.86, 7.92, 114.69 ppm; 3.58 A): 2 out of 10 assignments used, quality = 1.00: * HB3 ASN 18 + HD21 ASN 18 OK 100 100 - 100 - 3.5=100 HB2 ASN 18 + HD21 ASN 18 OK 100 100 - 100 - 3.5=100 HB3 ASN 24 - HD21 ASN 18 OK 18 100 - 18 - 1429=3, 443/1.7=3...(6) HE3 LYS 17 - HD21 ASN 18 lone 8 100 - 8 - 442/1.7=1, 562/5.7=1, 1421/4.6=1 HE2 LYS 17 - HD21 ASN 18 lone 7 93 - 8 - 442/1.7=1, 562/5.7=1, 1421/4.6=1 HB3 ASN 63 - HD21 ASN 18 lone 6 100 - 6 - 443/1.7=1 HB3 TYR 32 - HD21 ASN 18 lone 6 100 - 6 - 443/1.7=1 HB2 ASN 90 - HD21 ASN 18 lone 2 63 - 3 - HE2 LYS 65 - HD21 ASN 18 lone 2 81 - 2 - HE3 LYS 65 - HD21 ASN 18 lone 1 71 - 2 - Peak 438 from nnoeabs.peaks (7.92, 7.92, 114.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 18 + HD21 ASN 18 OK 100 100 - 100 Peak 439 from nnoeabs.peaks (7.12, 7.92, 114.69 ppm; 2.76 A): 1 out of 3 assignments used, quality = 1.00: * HD22 ASN 18 + HD21 ASN 18 OK 100 100 - 100 - 1.7=100 H MET 21 - HD21 ASN 18 OK 24 100 - 24 - 4.9/4332=3, 6.1/4427=3...(10) HD2 HIS 42 - HD21 ASN 18 lone 0 63 - 0 - Peak 441 from nnoeabs.peaks (4.85, 7.12, 114.69 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 18 + HD22 ASN 18 OK 100 100 - 100 - 4.6=100 Peak 442 from nnoeabs.peaks (2.86, 7.12, 114.69 ppm; 3.77 A): 2 out of 10 assignments used, quality = 1.00: * HB2 ASN 18 + HD22 ASN 18 OK 100 100 - 100 - 3.5=100 HB3 ASN 18 + HD22 ASN 18 OK 100 100 - 100 - 3.5=100 HB3 ASN 24 - HD22 ASN 18 OK 22 100 - 22 - 1429/1.7=3, 1430=2...(12) HE3 LYS 17 - HD22 ASN 18 OK 11 100 - 11 - 7.2/6065=2, 562/5.7=1...(4) HE2 LYS 17 - HD22 ASN 18 OK 10 95 - 11 - 7.2/6065=2, 562/5.7=1...(4) HB3 ASN 63 - HD22 ASN 18 lone 10 100 - 10 - 3.5/6065=2, ~2808=1, 437/1.7=1 HB3 TYR 32 - HD22 ASN 18 lone 8 100 - 8 - 436/1.7=1 HE2 LYS 65 - HD22 ASN 18 lone 2 78 - 3 - HB2 ASN 90 - HD22 ASN 18 lone 2 65 - 3 - HE3 LYS 65 - HD22 ASN 18 lone 2 68 - 3 - Peak 443 from nnoeabs.peaks (2.86, 7.12, 114.69 ppm; 3.77 A): 2 out of 10 assignments used, quality = 1.00: * HB3 ASN 18 + HD22 ASN 18 OK 100 100 - 100 - 3.5=100 HB2 ASN 18 + HD22 ASN 18 OK 100 100 - 100 - 3.5=100 HB3 ASN 24 - HD22 ASN 18 OK 22 100 - 22 - 1429/1.7=3, 1430=2...(12) HE3 LYS 17 - HD22 ASN 18 OK 11 100 - 11 - 7.2/6065=2, 562/5.7=1...(4) HE2 LYS 17 - HD22 ASN 18 poor 10 93 - 11 - 7.2/6065=2, 562/5.7=1...(4) HB3 ASN 63 - HD22 ASN 18 lone 10 100 - 10 - 3.5/6065=2, ~2808=1, 437/1.7=1 HB3 TYR 32 - HD22 ASN 18 lone 8 100 - 8 - 436/1.7=1 HE2 LYS 65 - HD22 ASN 18 lone 2 81 - 3 - HB2 ASN 90 - HD22 ASN 18 lone 2 63 - 3 - HE3 LYS 65 - HD22 ASN 18 lone 2 71 - 3 - Peak 444 from nnoeabs.peaks (7.92, 7.12, 114.69 ppm; 2.84 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 18 + HD22 ASN 18 OK 100 100 - 100 - 1.7=100 H HIS 15 - HD22 ASN 18 lone 1 96 - 1 - Peak 445 from nnoeabs.peaks (7.12, 7.12, 114.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 18 + HD22 ASN 18 OK 100 100 - 100 Peak 446 from nnoeabs.peaks (7.74, 7.87, 115.41 ppm; 5.21 A): 1 out of 2 assignments used, quality = 0.97: * H ASN 24 + HD21 ASN 24 OK 97 100 - 97 - 5.4=90, 452/1.7=36...(10) H LYS 91 - HD21 ASN 24 OK 12 68 - 17 - 452/1.7=4, 1620/4.4=3...(5) Peak 447 from nnoeabs.peaks (4.63, 7.87, 115.41 ppm; 4.93 A): 2 out of 11 assignments used, quality = 1.00: * HA ASN 24 + HD21 ASN 24 OK 100 100 - 100 - 4.4=100 HA ASN 63 + HD21 ASN 24 OK 68 100 - 69 - 3.0/5410=13, 2801/3.5=12...(16) HA LEU 12 - HD21 ASN 24 OK 35 83 - 42 - 4.0/4500=6, 1159=6...(15) HA ARG 27 - HD21 ASN 24 OK 13 97 - 13 - 3.0/4499=2, 1627/3.5=2...(6) HA GLU 33 - HD21 ASN 24 lone 10 100 - 10 - ~145=1, 1627/3.5=1, 453/1.7=1 HA LYS 31 - HD21 ASN 24 poor 7 57 - 12 - 1624=2, 3.0/4499=2...(5) HA THR 38 - HD21 ASN 24 lone 7 92 - 8 - ~4788=1 HA ASP 82 - HD21 ASN 24 lone 5 97 - 5 - HA ASP 43 - HD21 ASN 24 lone 4 78 - 5 - HA HIS 42 - HD21 ASN 24 lone 3 100 - 3 - HA PHE 57 - HD21 ASN 24 lone 3 71 - 4 - Peak 448 from nnoeabs.peaks (2.92, 7.87, 115.41 ppm; 3.36 A): 2 out of 6 assignments used, quality = 0.95: * HB2 ASN 24 + HD21 ASN 24 OK 90 100 - 91 - 3.5=88, 3.7/446=10, 4157/4422=4 HB2 ASN 63 + HD21 ASN 24 OK 45 99 - 47 - 454/1.7=8, 1.8/5410=7...(16) HB3 PHE 80 - HD21 ASN 24 OK 31 96 - 32 - 3431=6, 1.8/3425=5...(13) HE2 LYS 14 - HD21 ASN 24 lone 5 98 - 4 - HE3 LYS 14 - HD21 ASN 24 lone 4 96 - 4 - HB2 ASP 53 - HD21 ASN 24 lone 4 71 - 6 - 1631/1.7=1 Peak 449 from nnoeabs.peaks (2.86, 7.87, 115.41 ppm; 3.56 A): 2 out of 10 assignments used, quality = 1.00: * HB3 ASN 24 + HD21 ASN 24 OK 100 100 - 100 - 3.5=100 HB3 ASN 63 + HD21 ASN 24 OK 51 100 - 52 - 1.8/448=10, 5410=8...(16) HB2 ASN 18 - HD21 ASN 24 OK 33 100 - 33 - 455/1.7=5, 1636=4...(11) HB3 ASN 18 - HD21 ASN 24 OK 33 100 - 33 - 455/1.7=5, 1636=4...(11) HB3 TYR 32 - HD21 ASN 24 lone 9 100 - 9 - 455/1.7=1, 1629/3.5=1 HE2 LYS 65 - HD21 ASN 24 lone 5 73 - 7 - HE3 LYS 17 - HD21 ASN 24 lone 5 100 - 5 - HE2 LYS 17 - HD21 ASN 24 lone 4 97 - 5 - HE3 LYS 65 - HD21 ASN 24 lone 4 63 - 7 - HB2 ASN 90 - HD21 ASN 24 lone 4 71 - 5 - 4.6/446=1 Peak 450 from nnoeabs.peaks (7.87, 7.87, 115.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 24 + HD21 ASN 24 OK 100 100 - 100 Peak 451 from nnoeabs.peaks (6.98, 7.87, 115.41 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 24 + HD21 ASN 24 OK 100 100 - 100 - 1.7=100 HD2 HIS 10 - HD21 ASN 24 lone 0 65 - 0 - Peak 452 from nnoeabs.peaks (7.74, 6.98, 115.41 ppm; 5.28 A): 1 out of 2 assignments used, quality = 0.99: * H ASN 24 + HD22 ASN 24 OK 99 100 - 99 - 5.4=94, 446/1.7=37...(8) H LYS 91 - HD22 ASN 24 OK 12 68 - 17 - 446/1.7=5, 1620/4.4=3...(5) Peak 453 from nnoeabs.peaks (4.63, 6.98, 115.41 ppm; 5.77 A): 2 out of 11 assignments used, quality = 1.00: * HA ASN 24 + HD22 ASN 24 OK 100 100 - 100 - 4.4=100 HA ASN 63 + HD22 ASN 24 OK 81 100 - 82 - 2801/3.5=14, ~5410=14...(17) HA LEU 12 - HD22 ASN 24 OK 31 83 - 38 - 4.0/4497=7, 447/1.7=7...(11) HA ARG 27 - HD22 ASN 24 OK 15 97 - 16 - 3.0/4496=2, ~4499=2...(6) HA GLU 33 - HD22 ASN 24 OK 10 100 - 10 - ~145=2, 447/1.7=2...(4) HA THR 38 - HD22 ASN 24 lone 9 92 - 9 - ~4788=2, 447/1.7=1...(4) HA LYS 31 - HD22 ASN 24 poor 8 57 - 14 - 1624/1.7=2, 3.0/4496=2...(6) HA ASP 82 - HD22 ASN 24 lone 5 97 - 5 - HA ASP 43 - HD22 ASN 24 lone 5 78 - 6 - HA HIS 42 - HD22 ASN 24 lone 5 100 - 5 - HA PHE 57 - HD22 ASN 24 lone 4 71 - 5 - Peak 454 from nnoeabs.peaks (2.92, 6.98, 115.41 ppm; 3.68 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ASN 24 + HD22 ASN 24 OK 100 100 - 100 - 3.5=100 HB2 ASN 63 + HD22 ASN 24 OK 52 99 - 53 - 448/1.7=10, ~5410=8...(16) HB3 PHE 80 - HD22 ASN 24 OK 27 96 - 29 - 448/1.7=7, ~3425=4...(12) HE2 LYS 14 - HD22 ASN 24 lone 6 98 - 5 - 448/1.7=1 HE3 LYS 14 - HD22 ASN 24 lone 5 96 - 5 - 448/1.7=1 HB2 ASP 53 - HD22 ASN 24 lone 5 71 - 7 - 1631=1 Peak 455 from nnoeabs.peaks (2.86, 6.98, 115.41 ppm; 3.91 A): 2 out of 10 assignments used, quality = 1.00: * HB3 ASN 24 + HD22 ASN 24 OK 100 100 - 100 - 3.5=100 HB3 ASN 63 + HD22 ASN 24 OK 58 100 - 58 - 5410/1.7=11, 1.8/454=11...(15) HB2 ASN 18 - HD22 ASN 24 OK 39 100 - 39 - 1637=6, 1.8/1637=6...(12) HB3 ASN 18 - HD22 ASN 24 OK 39 100 - 39 - 1637=6, 1.8/1637=6...(12) HB3 TYR 32 - HD22 ASN 24 OK 11 100 - 11 - 449/1.7=2, 4394/4406=1...(5) HE3 LYS 17 - HD22 ASN 24 lone 5 100 - 5 - HE2 LYS 17 - HD22 ASN 24 lone 5 97 - 5 - HB2 ASN 90 - HD22 ASN 24 lone 4 71 - 6 - 4.6/452=2 HE2 LYS 65 - HD22 ASN 24 lone 4 73 - 5 - HE3 LYS 65 - HD22 ASN 24 lone 3 63 - 5 - Peak 456 from nnoeabs.peaks (7.87, 6.98, 115.41 ppm; 2.43 A): 1 out of 4 assignments used, quality = 1.00: * HD21 ASN 24 + HD22 ASN 24 OK 100 100 - 100 - 1.7=100 H PHE 80 - HD22 ASN 24 lone 7 99 - 7 - 900/3.5=1, 4.0/454=1, ~3419=1 H LEU 12 - HD22 ASN 24 lone 6 93 - 6 - H LYS 65 - HD22 ASN 24 lone 2 71 - 3 - Peak 457 from nnoeabs.peaks (6.98, 6.98, 115.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 24 + HD22 ASN 24 OK 100 100 - 100 Peak 459 from nnoeabs.peaks (4.62, 7.58, 115.05 ppm; 4.70 A): 2 out of 10 assignments used, quality = 1.00: * HA ASN 63 + HD21 ASN 63 OK 100 100 - 100 - 4.4=100 HA ASN 24 + HD21 ASN 63 OK 48 100 - 49 - 1622/3.5=11, 2812/3.5=10...(8) HA ASP 43 - HD21 ASN 63 OK 20 89 - 23 - 3945=4, 3.0/978=4...(8) HA LEU 12 - HD21 ASN 63 OK 15 92 - 16 - 2812/3.5=3, 2806/3.5=3...(6) HA GLU 33 - HD21 ASN 63 OK 11 97 - 11 - 465/1.7=2, 3.0/5398=2...(5) HA HIS 42 - HD21 ASN 63 lone 7 97 - 8 - 3.6/978=4 HA ARG 27 - HD21 ASN 63 lone 6 100 - 6 - 2812/3.5=1, 465/1.7=1 HA THR 38 - HD21 ASN 63 lone 6 97 - 6 - HA ASP 82 - HD21 ASN 63 lone 6 100 - 6 - HA LYS 31 - HD21 ASN 63 lone 3 71 - 4 - Peak 460 from nnoeabs.peaks (2.91, 7.58, 115.05 ppm; 3.53 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASN 63 + HD21 ASN 63 OK 100 100 - 100 - 3.5=100 HB2 ASN 24 - HD21 ASN 63 OK 35 99 - 36 - 2813/3.5=8, 466/1.7=8...(8) HB3 PHE 80 - HD21 ASN 63 lone 7 100 - 7 - 2813/3.5=2, 466/1.7=2 HE2 LYS 14 - HD21 ASN 63 lone 7 100 - 7 - 466/1.7=2, ~466=1 HE3 LYS 14 - HD21 ASN 63 lone 7 100 - 6 - 466/1.7=2, ~466=1 HE3 LYS 65 - HD21 ASN 63 lone 3 60 - 5 - 1.8/461=1 HB2 ASP 53 - HD21 ASN 63 lone 3 89 - 3 - Peak 461 from nnoeabs.peaks (2.86, 7.58, 115.05 ppm; 3.44 A): 2 out of 9 assignments used, quality = 0.96: * HB3 ASN 63 + HD21 ASN 63 OK 94 100 - 94 - 3.5=94, 4.4/5412=3, 6093/5399=3 HB3 ASN 24 + HD21 ASN 63 OK 34 100 - 35 - 1.8/460=7, 2808/3.5=7...(9) HB3 ASN 18 - HD21 ASN 63 OK 18 100 - 18 - 467/1.7=2, 4.8/3830=2...(9) HB2 ASN 18 - HD21 ASN 63 OK 18 100 - 18 - 467/1.7=2, 4.8/3830=2...(9) HE3 LYS 17 - HD21 ASN 63 lone 9 99 - 9 - 467/1.7=1, 3.9/1359=1 HE2 LYS 17 - HD21 ASN 63 lone 7 90 - 8 - 3.9/1359=1 HE2 LYS 65 - HD21 ASN 63 lone 6 85 - 7 - 467/1.7=1 HB3 TYR 32 - HD21 ASN 63 lone 5 99 - 4 - HE3 LYS 65 - HD21 ASN 63 lone 4 76 - 5 - Peak 462 from nnoeabs.peaks (7.58, 7.58, 115.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 63 + HD21 ASN 63 OK 100 100 - 100 Peak 463 from nnoeabs.peaks (6.76, 7.58, 115.05 ppm; 2.49 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 63 + HD21 ASN 63 OK 100 100 - 100 - 1.7=100 Peak 465 from nnoeabs.peaks (4.62, 6.76, 115.05 ppm; 4.98 A): 2 out of 10 assignments used, quality = 1.00: * HA ASN 63 + HD22 ASN 63 OK 100 100 - 100 - 4.4=100 HA ASN 24 + HD22 ASN 63 OK 52 100 - 53 - 1622/3.5=12, 2812/3.5=11...(9) HA ASP 43 - HD22 ASN 63 OK 18 89 - 21 - 3945/1.7=4, ~978=3...(8) HA GLU 33 - HD22 ASN 63 OK 12 97 - 12 - 3.0/5400=2, 459/1.7=2...(5) HA LEU 12 - HD22 ASN 63 OK 12 92 - 13 - 2812/3.5=3, 2806/3.5=3...(4) HA ARG 27 - HD22 ASN 63 lone 6 100 - 6 - 459/1.7=1, 2812/3.5=1 HA ASP 82 - HD22 ASN 63 lone 6 100 - 6 - 459/1.7=1 HA THR 38 - HD22 ASN 63 lone 6 97 - 6 - 459/1.7=1 HA HIS 42 - HD22 ASN 63 lone 5 97 - 5 - 459/1.7=1 HA LYS 31 - HD22 ASN 63 lone 3 71 - 4 - Peak 466 from nnoeabs.peaks (2.91, 6.76, 115.05 ppm; 3.67 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASN 63 + HD22 ASN 63 OK 100 100 - 100 - 3.5=100 HB2 ASN 24 - HD22 ASN 63 OK 37 99 - 38 - 2813/3.5=8, 460/1.7=8...(9) HE2 LYS 14 - HD22 ASN 63 lone 8 100 - 8 - 460/1.7=2, 3.9/5402=1, ~460=1 HE3 LYS 14 - HD22 ASN 63 lone 8 100 - 8 - 460/1.7=2, 3.9/5402=1, ~460=1 HB3 PHE 80 - HD22 ASN 63 lone 8 100 - 8 - 2813/3.5=2, 460/1.7=2...(4) HE3 LYS 65 - HD22 ASN 63 lone 3 60 - 6 - 1.8/467=1 HB2 ASP 53 - HD22 ASN 63 lone 3 89 - 3 - Peak 467 from nnoeabs.peaks (2.86, 6.76, 115.05 ppm; 3.56 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ASN 63 + HD22 ASN 63 OK 100 100 - 100 - 3.5=100 HB3 ASN 24 - HD22 ASN 63 OK 34 100 - 35 - 1.8/466=8, 2808/3.5=7...(8) HB3 ASN 18 - HD22 ASN 63 OK 13 100 - 13 - 461/1.7=4, ~461=2...(6) HB2 ASN 18 - HD22 ASN 63 OK 13 100 - 13 - 461/1.7=3, ~461=2...(6) HE3 LYS 17 - HD22 ASN 63 lone 6 99 - 6 - 461/1.7=2 HE2 LYS 65 - HD22 ASN 63 lone 6 85 - 7 - 461/1.7=1 HE2 LYS 17 - HD22 ASN 63 lone 5 90 - 6 - 461/1.7=2, ~461=1 HB3 TYR 32 - HD22 ASN 63 lone 4 99 - 4 - HE3 LYS 65 - HD22 ASN 63 lone 4 76 - 5 - Peak 468 from nnoeabs.peaks (7.58, 6.76, 115.05 ppm; 2.49 A): 1 out of 5 assignments used, quality = 1.00: * HD21 ASN 63 + HD22 ASN 63 OK 100 100 - 100 - 1.7=100 H LYS 44 - HD22 ASN 63 lone 4 96 - 4 - 4.0/5400=1 H LYS 17 - HD22 ASN 63 lone 3 93 - 3 - H VAL 20 - HD22 ASN 63 lone 2 97 - 2 - H SER 36 - HD22 ASN 63 lone 1 78 - 2 - Peak 469 from nnoeabs.peaks (6.76, 6.76, 115.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 63 + HD22 ASN 63 OK 100 100 - 100 Peak 473 from nnoeabs.peaks (2.71, 7.63, 113.25 ppm; 4.46 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ASN 90 + HD21 ASN 90 OK 100 100 - 100 - 3.5=100 HE3 LYS 44 - HD21 ASN 90 OK 14 100 - 14 - 3682/4.3=5, 479/1.7=4...(4) HE3 LYS 64 - HD21 ASN 90 lone 3 65 - 4 - HE2 LYS 64 - HD21 ASN 90 lone 2 60 - 4 - HB2 ASP 82 - HD21 ASN 90 lone 2 60 - 3 - Peak 474 from nnoeabs.peaks (7.63, 7.63, 113.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 90 + HD21 ASN 90 OK 100 100 - 100 Peak 475 from nnoeabs.peaks (6.89, 7.63, 113.25 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 90 + HD21 ASN 90 OK 100 100 - 100 - 1.7=100 Peak 479 from nnoeabs.peaks (2.71, 6.89, 113.25 ppm; 5.77 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ASN 90 + HD22 ASN 90 OK 100 100 - 100 - 3.5=100 HE3 LYS 44 - HD22 ASN 90 OK 21 100 - 21 - 3682/4.3=7, 473/1.7=6...(4) HE3 LYS 64 - HD22 ASN 90 lone 4 65 - 6 - 473/1.7=1, 3682/4.3=1 HE2 LYS 64 - HD22 ASN 90 lone 4 60 - 6 - HB2 ASP 82 - HD22 ASN 90 lone 3 60 - 4 - Peak 480 from nnoeabs.peaks (7.63, 6.89, 113.25 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 90 + HD22 ASN 90 OK 100 100 - 100 - 1.7=100 Peak 481 from nnoeabs.peaks (6.89, 6.89, 113.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 90 + HD22 ASN 90 OK 100 100 - 100 Peak 482 from nnoeabs.peaks (8.02, 6.80, 111.81 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.97: * H GLN 55 + HE21 GLN 55 OK 97 100 - 97 - 6.8=57, 490/1.7=48...(12) Peak 484 from nnoeabs.peaks (2.04, 6.80, 111.81 ppm; 3.76 A): 2 out of 9 assignments used, quality = 1.00: HG3 GLN 55 + HE21 GLN 55 OK 100 100 - 100 - 3.5=100 * HB2 GLN 55 + HE21 GLN 55 OK 78 100 - 78 - 4.5=59, 2.9/486=20...(5) HB2 MET 21 - HE21 GLN 55 OK 17 81 - 21 - 1.8/486=6, 1516/3.5=4...(6) QE MET 21 - HE21 GLN 55 OK 14 85 - 16 - 1544/3.5=7, 4.2/486=3...(4) HB2 LEU 23 - HE21 GLN 55 lone 8 81 - 10 - 3.1/5203=3, ~5204=1, 492/1.7=1 HA ALA 75 - HE21 GLN 55 lone 6 92 - 7 - 2598/3.5=1 HB3 GLU 49 - HE21 GLN 55 lone 5 85 - 6 - HG2 GLU 49 - HE21 GLN 55 lone 5 81 - 6 - HG3 GLU 33 - HE21 GLN 55 lone 3 76 - 4 - 5.1/147=1 Peak 485 from nnoeabs.peaks (1.75, 6.80, 111.81 ppm; 4.71 A): 1 out of 10 assignments used, quality = 1.00: * HB3 GLN 55 + HE21 GLN 55 OK 100 100 - 100 - 4.5=100 HB2 LEU 73 - HE21 GLN 55 OK 40 100 - 40 - 3.1/5709=8, 3.1/5708=7...(10) HB3 MET 48 - HE21 GLN 55 OK 37 100 - 37 - 4908=5, 1.8/4907=5...(12) HB3 LYS 65 - HE21 GLN 55 OK 36 93 - 38 - 2592/1.7=5, ~4180=5...(12) QE MET 11 - HE21 GLN 55 OK 27 85 - 32 - 4247=11, 3.4/4250=4...(10) HB3 ARG 28 - HE21 GLN 55 OK 14 89 - 16 - 2604/3.5=3, 2572/5.7=2...(5) HB2 ARG 27 - HE21 GLN 55 OK 12 68 - 17 - 3.5/4539=3, 4.8/5997=2...(4) QB ALA 74 - HE21 GLN 55 OK 10 68 - 15 - 2604/3.5=2, 2596/3.5=1...(4) HB2 LYS 17 - HE21 GLN 55 lone 5 63 - 8 - HB3 LYS 17 - HE21 GLN 55 lone 5 60 - 8 - Peak 486 from nnoeabs.peaks (2.17, 6.80, 111.81 ppm; 3.38 A): 2 out of 3 assignments used, quality = 0.96: * HG2 GLN 55 + HE21 GLN 55 OK 94 100 - 94 - 3.5=88, 494/1.7=23...(8) HB VAL 52 + HE21 GLN 55 OK 35 100 - 35 - 494/1.7=8, 2599=6...(10) HB3 MET 21 - HE21 GLN 55 OK 23 90 - 25 - 494/1.7=5, 2605/3.5=5...(9) Peak 487 from nnoeabs.peaks (2.04, 6.80, 111.81 ppm; 3.76 A): 2 out of 11 assignments used, quality = 1.00: * HG3 GLN 55 + HE21 GLN 55 OK 100 100 - 100 - 3.5=100 HB2 GLN 55 + HE21 GLN 55 OK 78 100 - 78 - 4.5=59, 2.9/486=20...(5) HB2 MET 21 - HE21 GLN 55 OK 18 83 - 21 - 1.8/486=6, 1516/3.5=4...(6) QE MET 21 - HE21 GLN 55 OK 14 87 - 16 - 1544/3.5=7, 4.2/486=3...(4) HB2 LEU 23 - HE21 GLN 55 lone 8 78 - 10 - 3.1/5203=3, ~5204=1, 492/1.7=1 HA ALA 75 - HE21 GLN 55 lone 6 93 - 7 - 2598/3.5=1 HB3 GLU 49 - HE21 GLN 55 lone 5 83 - 6 - HG2 GLU 49 - HE21 GLN 55 lone 5 78 - 6 - HG3 GLU 33 - HE21 GLN 55 lone 3 78 - 4 - 5.1/147=1 HB3 GLU 77 - HE21 GLN 55 lone 1 60 - 2 - HG2 GLU 22 - HE21 GLN 55 lone 1 60 - 2 - Peak 488 from nnoeabs.peaks (6.80, 6.80, 111.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 55 + HE21 GLN 55 OK 100 100 - 100 Peak 489 from nnoeabs.peaks (7.54, 6.80, 111.81 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 55 + HE21 GLN 55 OK 100 100 - 100 - 1.7=100 H ALA 69 - HE21 GLN 55 OK 10 90 - 11 - 3.6/5518=1, 4.3/5521=1 H ASN 63 - HE21 GLN 55 lone 6 92 - 6 - H SER 36 - HE21 GLN 55 lone 1 71 - 2 - Peak 490 from nnoeabs.peaks (8.02, 7.54, 111.81 ppm; 4.49 A): 1 out of 2 assignments used, quality = 0.84: * H GLN 55 + HE22 GLN 55 OK 84 100 - 84 - 2601/3.5=32, 6.8=29...(10) H GLN 55 - H SER 36 lone 3 38 - 7 - 757=2 Peak 492 from nnoeabs.peaks (2.04, 7.54, 111.81 ppm; 3.75 A): 2 out of 18 assignments used, quality = 1.00: HG3 GLN 55 + HE22 GLN 55 OK 100 100 - 100 - 3.5=100 * HB2 GLN 55 + HE22 GLN 55 OK 80 100 - 80 - 4.5=58, 2.9/494=20...(5) HB2 MET 21 - HE22 GLN 55 OK 18 81 - 22 - 1.8/494=6, 1516/3.5=4...(7) QE MET 21 - HE22 GLN 55 OK 14 85 - 16 - 1544/3.5=7, 4.2/494=3...(5) HB2 LEU 23 - HE22 GLN 55 lone 7 81 - 9 - 3.1/5204=2, ~5203=2, 484/1.7=1 HA ALA 75 - HE22 GLN 55 lone 6 92 - 6 - 2598/3.5=1 HB3 GLU 49 - HE22 GLN 55 lone 6 85 - 7 - HB3 GLU 49 - H SER 36 poor 5 28 - 19 - 4747/4.4=8, 2465/4.4=3...(5) HG2 GLU 49 - HE22 GLN 55 lone 5 81 - 6 - HG2 GLU 49 - H SER 36 poor 5 26 - 18 - 4747/4.4=7, 2471/4.4=3...(5) HG3 GLU 33 - HE22 GLN 55 lone 2 76 - 3 - HG3 GLN 55 - H SER 36 lone 2 38 - 6 - 2608=1 HB2 GLN 55 - H SER 36 lone 2 38 - 5 - HG3 GLU 33 - H SER 36 lone 2 24 - 8 - 4663/4.4=5, 4662/3927=2 HA ALA 75 - H SER 36 lone 1 31 - 2 - HB2 LEU 23 - H SER 36 lone 0 26 - 2 - QE MET 21 - H SER 36 lone 0 28 - 2 - HB2 MET 21 - H SER 36 lone 0 26 - 1 - Peak 493 from nnoeabs.peaks (1.75, 7.54, 111.81 ppm; 4.86 A): 1 out of 20 assignments used, quality = 1.00: * HB3 GLN 55 + HE22 GLN 55 OK 100 100 - 100 - 4.5=100 HB2 LEU 73 - HE22 GLN 55 OK 43 100 - 43 - 3.1/5204=7, ~5709=6...(10) HB3 LYS 65 - HE22 GLN 55 OK 41 93 - 44 - 3.0/4180=7, 2592=6...(11) HB3 MET 48 - HE22 GLN 55 OK 36 100 - 35 - 4908/1.7=7, 3.0/4914=6...(11) QE MET 11 - HE22 GLN 55 OK 25 85 - 29 - 4247/1.7=10, ~4250=4...(9) HB3 ARG 28 - HE22 GLN 55 OK 14 89 - 15 - 2604/3.5=3, 2572/5.7=2...(6) HB3 MET 48 - H SER 36 OK 11 38 - 28 - 3.0/4905=12, 4853/4.4=7...(7) HB2 ARG 27 - HE22 GLN 55 poor 10 68 - 14 - ~4539=3, 485/1.7=2, 2604/3.5=1 QB ALA 74 - HE22 GLN 55 poor 10 68 - 14 - 2604/3.5=2, 2596/3.5=1...(4) HB3 LYS 65 - H SER 36 poor 5 32 - 17 - 3.8/5450=4, 2928/4.0=3...(5) HB2 LYS 17 - HE22 GLN 55 lone 5 63 - 8 - HB2 LEU 73 - H SER 36 poor 4 38 - 12 - 6140/4.4=4, 3174/4.4=3 HB3 LYS 17 - HE22 GLN 55 lone 4 60 - 7 - HB3 GLN 55 - H SER 36 lone 4 38 - 9 - 1.8/2584=1, 2.9/2608=1...(4) HB2 ARG 27 - H SER 36 poor 2 21 - 12 - 1773/4.0=5, ~2155=3 QE MET 11 - H SER 36 lone 2 28 - 6 - 4252/4.6=2 HB2 LYS 17 - H SER 36 lone 1 19 - 6 - 2.9/4688=3 HB3 LYS 17 - H SER 36 lone 1 18 - 6 - 2.9/4688=3 QB ALA 74 - H SER 36 lone 1 21 - 4 - HB3 ARG 28 - H SER 36 lone 1 30 - 2 - Peak 494 from nnoeabs.peaks (2.17, 7.54, 111.81 ppm; 3.28 A): 3 out of 6 assignments used, quality = 0.94: * HG2 GLN 55 + HE22 GLN 55 OK 89 100 - 89 - 3.5=81, 486/1.7=21...(8) HB VAL 52 + HE22 GLN 55 OK 32 100 - 33 - 486/1.7=8, 2600=8...(8) HB3 MET 21 + HE22 GLN 55 OK 21 90 - 23 - 486/1.7=5, 2605/3.5=5...(9) HG2 GLN 55 - H SER 36 lone 1 38 - 4 - HB VAL 52 - H SER 36 lone 0 38 - 1 - HB3 MET 21 - H SER 36 lone 0 31 - 1 - Peak 495 from nnoeabs.peaks (2.04, 7.54, 111.81 ppm; 3.75 A): 2 out of 22 assignments used, quality = 1.00: * HG3 GLN 55 + HE22 GLN 55 OK 100 100 - 100 - 3.5=100 HB2 GLN 55 + HE22 GLN 55 OK 80 100 - 80 - 4.5=58, 2.9/494=20...(5) HB2 MET 21 - HE22 GLN 55 OK 18 83 - 22 - 1.8/494=6, 1516/3.5=4...(7) QE MET 21 - HE22 GLN 55 OK 14 87 - 16 - 1544/3.5=7, 4.2/494=3...(5) HB2 LEU 23 - HE22 GLN 55 lone 7 78 - 9 - 3.1/5204=2, ~5203=2, 484/1.7=1 HA ALA 75 - HE22 GLN 55 lone 6 93 - 6 - 2598/3.5=1 HB3 GLU 49 - HE22 GLN 55 lone 5 83 - 7 - HB3 GLU 49 - H SER 36 poor 5 27 - 19 - 4747/4.4=8, 2465/4.4=3...(5) HG2 GLU 49 - HE22 GLN 55 lone 5 78 - 6 - HG2 GLU 49 - H SER 36 poor 4 25 - 17 - 4747/4.4=7, 2471/4.4=3...(5) HG3 GLU 33 - HE22 GLN 55 lone 2 78 - 3 - HG3 GLN 55 - H SER 36 lone 2 38 - 6 - 2608=1 HG3 GLU 33 - H SER 36 lone 2 25 - 8 - 4663/4.4=5, 4662/3927=2 HB2 GLN 55 - H SER 36 lone 2 38 - 5 - HB3 GLU 77 - HE22 GLN 55 lone 1 60 - 2 - HG2 GLU 22 - HE22 GLN 55 lone 1 60 - 2 - HA ALA 75 - H SER 36 lone 1 32 - 2 - QE MET 21 - H SER 36 lone 0 29 - 2 - HB2 LEU 23 - H SER 36 lone 0 25 - 2 - HB2 MET 21 - H SER 36 lone 0 27 - 1 - HG2 GLU 22 - H SER 36 lone 0 18 - 1 - HB3 GLU 77 - H SER 36 lone 0 18 - 1 - Peak 496 from nnoeabs.peaks (6.80, 7.54, 111.81 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * HE21 GLN 55 + HE22 GLN 55 OK 100 100 - 100 - 1.7=100 QE TYR 70 - HE22 GLN 55 lone 10 100 - 10 - ~3147=1, 2607/3.5=1 QD TYR 32 - HE22 GLN 55 lone 6 78 - 7 - QE TYR 70 - H SER 36 lone 1 38 - 4 - 4683/3.6=1 HE21 GLN 55 - H SER 36 lone 1 38 - 2 - QD TYR 32 - H SER 36 lone 0 25 - 0 - Peak 497 from nnoeabs.peaks (7.54, 7.54, 111.81 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 55 + HE22 GLN 55 OK 100 100 - 100 H SER 36 - H SER 36 OK 22 22 - 100 Peak 499 from nnoeabs.peaks (5.81, 8.21, 111.23 ppm; 5.28 A): 1 out of 1 assignment used, quality = 0.99: * HA GLN 58 + HE21 GLN 58 OK 99 100 - 99 - 5.6=85, 2762/3.5=44...(28) Peak 500 from nnoeabs.peaks (1.96, 8.21, 111.23 ppm; 3.99 A): 2 out of 13 assignments used, quality = 0.98: * HB2 GLN 58 + HE21 GLN 58 OK 94 100 - 94 - 4.6=66, 2.9/502=36...(13) HB3 PRO 81 + HE21 GLN 58 OK 67 98 - 68 - 1.8/503=11, 2741/3.5=11...(24) HG3 PRO 84 - HE21 GLN 58 OK 35 96 - 37 - 2.3/503=6, ~511=4...(13) HG2 PRO 19 - HE21 GLN 58 OK 29 100 - 29 - 3.8/4142=4, 1.8/501=3...(13) HB2 PRO 19 - HE21 GLN 58 OK 25 85 - 29 - 2.3/4142=5, 3.5/1019=3...(13) HB3 PRO 19 - HE21 GLN 58 OK 21 76 - 28 - 2.3/4142=5, 3.5/1019=3...(13) HB3 GLU 22 - HE21 GLN 58 OK 21 87 - 24 - 1.8/1554=4, 1560=3...(10) HB2 GLU 33 - HE21 GLN 58 OK 19 87 - 22 - 4653/5307=5, 508/1.7=2...(7) HB VAL 20 - HE21 GLN 58 OK 16 76 - 21 - 4.0/1019=3, 2.1/4416=3...(10) HB2 LEU 76 - HE21 GLN 58 OK 10 92 - 11 - 2.9/6158=2 HB2 GLU 51 - HE21 GLN 58 lone 9 99 - 10 - 3.0/5086=2, 5064/2639=1 HE3 LYS 68 - HE21 GLN 58 poor 8 68 - 12 - 3.7/5304=3, 3.7/5306=2...(4) HB2 GLU 77 - HE21 GLN 58 lone 8 100 - 8 - 4.1/1010=2 Peak 501 from nnoeabs.peaks (1.89, 8.21, 111.23 ppm; 3.96 A): 2 out of 7 assignments used, quality = 0.99: * HB3 GLN 58 + HE21 GLN 58 OK 95 100 - 95 - 4.6=65, 2.9/502=35...(19) HB ILE 35 + HE21 GLN 58 OK 82 87 - 95 - 3.2/5307=23, ~4709=23...(30) HG3 PRO 81 - HE21 GLN 58 OK 37 60 - 61 - 2.3/503=10, ~511=6...(20) HB3 LYS 78 - HE21 GLN 58 OK 23 81 - 28 - 4089=4, 1.8/4088=3...(12) HB3 MET 11 - HE21 GLN 58 OK 23 100 - 22 - 509/1.7=3, 2764/3.5=3...(9) HB2 MET 11 - HE21 GLN 58 OK 23 100 - 22 - 509/1.7=3, 2764/3.5=3...(10) HG3 PRO 19 - HE21 GLN 58 OK 22 73 - 29 - 3.8/4142=4, 1.8/500=3...(13) Peak 502 from nnoeabs.peaks (2.39, 8.21, 111.23 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.95: * HG2 GLN 58 + HE21 GLN 58 OK 95 100 - 95 - 3.5=87, 1.8/503=19...(20) Peak 503 from nnoeabs.peaks (2.27, 8.21, 111.23 ppm; 3.31 A): 2 out of 4 assignments used, quality = 0.97: * HG3 GLN 58 + HE21 GLN 58 OK 95 100 - 95 - 3.5=85, 1.8/502=35...(17) HB2 PRO 81 + HE21 GLN 58 OK 45 85 - 53 - 511/1.7=8, 2758/3.5=6...(24) HB2 PRO 84 - HE21 GLN 58 OK 27 83 - 33 - 511/1.7=5, 2758/3.5=4...(16) HG3 MET 11 - HE21 GLN 58 OK 10 71 - 14 - 511/1.7=2, 3.0/501=2...(4) Peak 504 from nnoeabs.peaks (8.21, 8.21, 111.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 58 + HE21 GLN 58 OK 100 100 - 100 Peak 505 from nnoeabs.peaks (6.56, 8.21, 111.23 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 58 + HE21 GLN 58 OK 100 100 - 100 - 1.7=100 Peak 507 from nnoeabs.peaks (5.81, 6.56, 111.23 ppm; 5.78 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 58 + HE22 GLN 58 OK 100 100 - 100 - 5.6=100 Peak 508 from nnoeabs.peaks (1.96, 6.56, 111.23 ppm; 4.48 A): 2 out of 13 assignments used, quality = 1.00: * HB2 GLN 58 + HE22 GLN 58 OK 99 100 - 99 - 4.6=94, ~502=28, ~499=19...(15) HB3 PRO 81 + HE22 GLN 58 OK 73 98 - 75 - 2741/3.5=14, 1.8/511=12...(23) HG3 PRO 84 - HE22 GLN 58 OK 38 96 - 40 - 2.3/511=7, ~503=5...(13) HG2 PRO 19 - HE22 GLN 58 OK 27 100 - 27 - 500/1.7=4, 2763/3.5=3...(12) HB2 GLU 33 - HE22 GLN 58 OK 23 87 - 27 - 4653/4721=8, 4654/4709=4...(10) HB2 PRO 19 - HE22 GLN 58 OK 23 85 - 27 - ~4142=5, 500/1.7=3...(13) HB3 PRO 19 - HE22 GLN 58 OK 20 76 - 26 - ~4142=5, 500/1.7=3...(13) HB3 GLU 22 - HE22 GLN 58 OK 18 87 - 21 - ~1554=4, 1560/1.7=3...(8) HE3 LYS 68 - HE22 GLN 58 OK 13 68 - 20 - 3.7/5311=4, 3.7/5309=4...(5) HB VAL 20 - HE22 GLN 58 OK 13 76 - 17 - ~4416=3, ~4148=3...(7) HB2 LEU 76 - HE22 GLN 58 poor 9 92 - 10 - ~6158=2, 500/1.7=1 HB2 GLU 51 - HE22 GLN 58 lone 9 99 - 9 - ~5086=2, 500/1.7=1 HB2 GLU 77 - HE22 GLN 58 lone 4 100 - 4 - Peak 509 from nnoeabs.peaks (1.89, 6.56, 111.23 ppm; 4.26 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLN 58 + HE22 GLN 58 OK 97 100 - 97 - 4.6=81, ~502=26, ~499=17...(20) HB ILE 35 + HE22 GLN 58 OK 84 87 - 97 - 2.1/4709=37, 3.2/4721=32...(29) HG3 PRO 81 - HE22 GLN 58 OK 40 60 - 68 - 2.3/511=11, ~503=8...(23) HB3 MET 11 - HE22 GLN 58 OK 26 100 - 25 - 501/1.7=3, 2764/3.5=3...(11) HB2 MET 11 - HE22 GLN 58 OK 25 100 - 25 - 501/1.7=3, 2764/3.5=3...(11) HB3 LYS 78 - HE22 GLN 58 OK 20 81 - 24 - 4089/1.7=4, ~4088=3...(9) HG3 PRO 19 - HE22 GLN 58 OK 19 73 - 26 - 501/1.7=3, 1.8/508=3...(11) Peak 510 from nnoeabs.peaks (2.39, 6.56, 111.23 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 58 + HE22 GLN 58 OK 100 100 - 100 - 3.5=100 Peak 511 from nnoeabs.peaks (2.27, 6.56, 111.23 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 58 + HE22 GLN 58 OK 100 100 - 100 - 3.5=100 HB2 PRO 81 + HE22 GLN 58 OK 54 85 - 64 - 503/1.7=11, 2758/3.5=8...(26) HB2 PRO 84 - HE22 GLN 58 OK 34 83 - 41 - 503/1.7=6, 2758/3.5=4...(20) HG3 MET 11 - HE22 GLN 58 OK 13 71 - 18 - 503/1.7=2, 3.0/509=2...(6) Peak 512 from nnoeabs.peaks (8.21, 6.56, 111.23 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HE21 GLN 58 + HE22 GLN 58 OK 100 100 - 100 - 1.7=100 H LYS 56 - HE22 GLN 58 OK 12 97 - 12 - 2759/3.5=2, 2767/3.5=2...(4) H LEU 79 - HE22 GLN 58 lone 5 83 - 6 - H GLU 22 - HE22 GLN 58 lone 3 87 - 3 - H LEU 87 - HE22 GLN 58 lone 2 78 - 2 - Peak 513 from nnoeabs.peaks (6.56, 6.56, 111.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 58 + HE22 GLN 58 OK 100 100 - 100 Peak 514 from nnoeabs.peaks (8.10, 8.10, 119.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H MET 11 + H MET 11 OK 100 100 - 100 H LEU 30 + H LEU 30 OK 56 56 - 100 Peak 515 from nnoeabs.peaks (4.32, 8.10, 119.73 ppm; 4.24 A): 1 out of 8 assignments used, quality = 1.00: * HA MET 11 + H MET 11 OK 100 100 - 100 - 3.0=100 HA LYS 44 - H MET 11 OK 19 85 - 22 - 1117=4, 7/4.6=3...(11) HA THR 13 - H MET 11 OK 13 90 - 15 - 7/4.6=4, ~529=3...(7) HA MET 11 - H LEU 30 OK 10 60 - 17 - 1117=4, 3.6/6=2...(8) HA ALA 86 - H MET 11 lone 2 65 - 3 - HA LYS 44 - H LEU 30 lone 2 45 - 4 - HA THR 13 - H LEU 30 lone 2 49 - 3 - 6152/4.8=1 HA ALA 86 - H LEU 30 lone 1 32 - 3 - Peak 516 from nnoeabs.peaks (1.89, 8.10, 119.73 ppm; 3.92 A): 2 out of 16 assignments used, quality = 1.00: * HB2 MET 11 + H MET 11 OK 95 100 - 95 - 4.0=92, 3.0/519=14...(6) HB3 MET 11 + H MET 11 OK 95 100 - 95 - 4.0=92, 3.0/519=14...(6) HG3 PRO 81 - H MET 11 OK 16 68 - 23 - 3.8/5915=7, 2.3/518=5...(7) HB3 GLN 58 - H MET 11 lone 8 100 - 8 - 2.9/519=2, 1119/3.0=1 HB2 MET 11 - H LEU 30 poor 7 60 - 12 - 3.0/1117=2, 4.3/1152=2...(7) HB3 MET 11 - H LEU 30 poor 7 60 - 12 - 3.0/1117=2, 4.3/1152=2...(7) HD2 LYS 78 - H MET 11 lone 5 65 - 8 - ~1123=1, 3340/4.0=1, 3340/4.0=1 HB3 LYS 78 - H MET 11 lone 4 73 - 6 - HB ILE 35 - H MET 11 lone 3 81 - 4 - 9/4.6=1 HG3 PRO 81 - H LEU 30 lone 3 34 - 9 - 3.8/5915=7, 2.3/518=1 HB3 LYS 78 - H LEU 30 lone 3 37 - 8 - 6116/4.8=3, 3311/4.0=3 HG3 PRO 19 - H MET 11 lone 3 65 - 4 - HG3 PRO 19 - H LEU 30 lone 2 32 - 8 - 4348/4.6=2, 4369/3.6=1 HD2 LYS 78 - H LEU 30 lone 2 32 - 7 - 5817/4.8=2, 3341/4.0=2 HB3 GLN 58 - H LEU 30 lone 1 60 - 2 - HB ILE 35 - H LEU 30 lone 1 42 - 1 - Peak 517 from nnoeabs.peaks (1.89, 8.10, 119.73 ppm; 3.92 A): 2 out of 16 assignments used, quality = 1.00: * HB3 MET 11 + H MET 11 OK 95 100 - 95 - 4.0=92, 3.0/519=14...(6) HB2 MET 11 + H MET 11 OK 95 100 - 95 - 4.0=92, 3.0/519=14...(6) HG3 PRO 81 - H MET 11 OK 14 63 - 23 - 3.8/5915=7, 2.3/518=5...(7) HB3 GLN 58 - H MET 11 lone 8 100 - 8 - 2.9/519=2, 1120/3.0=1 HB3 MET 11 - H LEU 30 poor 7 60 - 12 - 3.0/1117=2, 4.3/1152=2...(7) HB2 MET 11 - H LEU 30 poor 7 60 - 12 - 3.0/1117=2, 4.3/1152=2...(7) HB3 LYS 78 - H MET 11 lone 5 78 - 6 - HD2 LYS 78 - H MET 11 lone 4 60 - 7 - ~1123=1, 3340/4.0=1 HB3 LYS 78 - H LEU 30 lone 3 40 - 9 - 6116/4.8=3, 3311/4.0=3 HB ILE 35 - H MET 11 lone 3 85 - 4 - 9/4.6=1 HG3 PRO 19 - H LEU 30 lone 3 35 - 8 - 4348/4.6=2, 4369/3.6=2 HG3 PRO 19 - H MET 11 lone 3 71 - 4 - HG3 PRO 81 - H LEU 30 lone 3 31 - 9 - 3.8/5915=7, 2.3/518=1 HD2 LYS 78 - H LEU 30 lone 2 29 - 6 - 5817/4.8=2, 3341/4.0=2 HB3 GLN 58 - H LEU 30 lone 1 60 - 2 - HB ILE 35 - H LEU 30 lone 1 45 - 1 - Peak 518 from nnoeabs.peaks (2.31, 8.10, 119.73 ppm; 5.25 A): 1 out of 4 assignments used, quality = 1.00: * HG2 MET 11 + H MET 11 OK 100 100 - 100 - 5.0=100 HB2 PRO 81 - H MET 11 OK 41 78 - 52 - 2.3/5915=14, 1121/3.0=10...(12) HG2 MET 11 - H LEU 30 OK 13 60 - 21 - 1138=4, 3.4/1152=4...(7) HB2 PRO 81 - H LEU 30 OK 11 40 - 26 - 2.3/5915=14, 5919/3.6=6, 1138=3 Peak 519 from nnoeabs.peaks (2.25, 8.10, 119.73 ppm; 4.48 A): 3 out of 8 assignments used, quality = 0.93: * HG3 MET 11 + H MET 11 OK 88 100 - 89 - 5.0=71, 1146/3.0=25...(8) HB2 PRO 84 + H MET 11 OK 35 100 - 36 - 1122/3.0=7, 3.0/5944=5...(9) HG3 GLN 58 + H MET 11 OK 10 71 - 14 - 1122/3.0=2, 11/4.6=2...(6) HG3 MET 11 - H LEU 30 poor 9 60 - 15 - 3.4/1152=3, 4.0/1117=3...(6) HE2 LYS 68 - H MET 11 lone 5 73 - 6 - 11/4.6=2 HB2 PRO 84 - H LEU 30 lone 4 59 - 7 - 3548/3.6=1, 3.0/5944=1, 1145=1 HE2 LYS 68 - H LEU 30 lone 2 37 - 5 - 5570/4636=2, 6.0/4194=1 HG3 GLN 58 - H LEU 30 lone 1 35 - 3 - Peak 521 from nnoeabs.peaks (7.86, 7.86, 120.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 12 + H LEU 12 OK 100 100 - 100 Peak 522 from nnoeabs.peaks (4.61, 7.86, 120.41 ppm; 3.95 A): 1 out of 11 assignments used, quality = 1.00: * HA LEU 12 + H LEU 12 OK 100 100 - 100 - 3.0=100 HA ASN 63 - H LEU 12 OK 21 92 - 23 - 3.6/996=5, 3.0/5410=4...(9) HA ASN 24 - H LEU 12 OK 18 83 - 21 - 1624=3, 3.0/1630=3...(10) HA HIS 10 - H LEU 12 OK 15 71 - 21 - 3.6/951=14, 1195/4.6=2...(5) HA THR 38 - H LEU 12 OK 12 100 - 12 - 1167/4.0=2, 14/4.6=2...(5) HA ARG 27 - H LEU 12 lone 8 97 - 8 - 1174/4.0=1, 1167/4.0=1...(4) HA ASP 82 - H LEU 12 lone 8 97 - 8 - 4.8/3794=2 HA GLU 33 - H LEU 12 poor 7 71 - 10 - 1195/4.6=2, 1174/4.0=1...(4) HA ASP 43 - H LEU 12 lone 7 100 - 7 - 1174/4.0=1 HA LYS 31 - H LEU 12 lone 6 97 - 6 - HA HIS 42 - H LEU 12 lone 2 71 - 2 - Peak 523 from nnoeabs.peaks (1.60, 7.86, 120.41 ppm; 3.52 A): 4 out of 12 assignments used, quality = 0.94: * HB2 LEU 12 + H LEU 12 OK 83 100 - 83 - 4.0=67, 3.1/527=13...(8) HD3 LYS 65 + H LEU 12 OK 33 87 - 38 - 2.8/2937=6, 3.5/2917=5...(16) HD2 LYS 65 + H LEU 12 OK 30 81 - 37 - 2.8/2937=6, 3.5/2917=5...(16) HB2 LYS 68 + H LEU 12 OK 22 100 - 22 - 1175/4.0=4, 1161/3.0=3...(10) HD2 LYS 14 - H LEU 12 lone 8 92 - 9 - 1161/3.0=1 HD3 LYS 14 - H LEU 12 lone 8 90 - 8 - 1161/3.0=1 HG LEU 23 - H LEU 12 lone 5 96 - 5 - HB2 LEU 87 - H LEU 12 lone 4 100 - 4 - HG LEU 73 - H LEU 12 lone 4 83 - 4 - 15/4.6=1 HG LEU 87 - H LEU 12 lone 3 97 - 3 - HB3 LEU 85 - H LEU 12 lone 3 99 - 3 - HG LEU 85 - H LEU 12 lone 3 99 - 3 - Peak 524 from nnoeabs.peaks (1.38, 7.86, 120.41 ppm; 4.01 A): 1 out of 11 assignments used, quality = 0.99: * HB3 LEU 12 + H LEU 12 OK 99 100 - 99 - 4.0=99 HB2 LYS 64 - H LEU 12 OK 40 93 - 43 - 4023=8, 1.8/4024=7...(14) HG2 LYS 68 - H LEU 12 OK 27 99 - 27 - 1169/4.0=5, 2.9/523=4...(9) QB ALA 67 - H LEU 12 OK 19 100 - 19 - 2.9/1045=5, 4172/4022=3...(8) HG2 LYS 44 - H LEU 12 OK 16 99 - 16 - 3.8/7=4, 16/4.6=2...(7) QB ALA 69 - H LEU 12 OK 16 98 - 16 - 5582/4.6=3, 1169/4.0=2...(5) HB3 LYS 56 - H LEU 12 OK 13 100 - 13 - 1162/3.0=2, 1197/4.6=2...(4) HD3 LYS 56 - H LEU 12 lone 8 89 - 9 - 1162/3.0=1, 1169/4.0=1 QB ALA 89 - H LEU 12 lone 5 83 - 5 - 2.9/6=2 HG3 LYS 91 - H LEU 12 lone 2 71 - 3 - HG2 LYS 91 - H LEU 12 lone 2 71 - 3 - Peak 525 from nnoeabs.peaks (1.46, 7.86, 120.41 ppm; 3.74 A): 4 out of 8 assignments used, quality = 0.94: * HG LEU 12 + H LEU 12 OK 73 100 - 73 - 5.2=36, 2.1/527=17...(8) HG LEU 79 + H LEU 12 OK 46 96 - 48 - 2.1/526=7, 4099=6...(14) HG2 LYS 65 + H LEU 12 OK 41 87 - 47 - 2937=10, 3.0/2917=6...(16) HB3 LYS 64 + H LEU 12 OK 26 76 - 34 - 1.8/4023=7, 3.0/4022=5...(12) HD2 LYS 64 - H LEU 12 OK 25 99 - 26 - 3.8/4023=5, 3.8/4024=4...(10) HG3 LYS 78 - H LEU 12 OK 18 99 - 18 - 4.9/5823=2, 1191/4.6=2...(8) HB3 LEU 76 - H LEU 12 OK 16 100 - 16 - 2.9/5788=2, 3.1/5784=2...(5) HB3 ARG 45 - H LEU 12 lone 5 97 - 5 - Peak 526 from nnoeabs.peaks (0.74, 7.86, 120.41 ppm; 4.17 A): 2 out of 6 assignments used, quality = 0.97: * QD1 LEU 12 + H LEU 12 OK 93 100 - 93 - 4.6=74, 2.1/527=22...(10) QD1 LEU 79 + H LEU 12 OK 57 98 - 59 - 4100=8, 2.1/4101=7...(15) QG1 VAL 20 - H LEU 12 OK 31 100 - 31 - 4415=7, 1178/4.0=4...(8) QG2 VAL 20 - H LEU 12 OK 25 90 - 28 - 2.1/4415=6, 4401/4.0=4...(8) HG2 LYS 26 - H LEU 12 OK 11 100 - 11 - 1178/4.0=2, 1164/3.0=2...(5) QD1 LEU 30 - H LEU 12 lone 7 73 - 9 - 1904/4.6=2, 4.8/6=2 Peak 527 from nnoeabs.peaks (0.66, 7.86, 120.41 ppm; 4.49 A): 2 out of 2 assignments used, quality = 0.99: * QD2 LEU 12 + H LEU 12 OK 98 100 - 98 - 4.6=92, 1165/3.0=28...(7) QD1 ILE 35 + H LEU 12 OK 45 97 - 47 - 1165/3.0=12, 1179/4.0=11...(9) Peak 528 from nnoeabs.peaks (8.44, 8.44, 110.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 13 + H THR 13 OK 100 100 - 100 Peak 529 from nnoeabs.peaks (4.33, 8.44, 110.79 ppm; 4.47 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 13 + H THR 13 OK 100 100 - 100 - 3.0=100 HA MET 11 - H THR 13 OK 32 90 - 36 - 7/4.6=17, 4259/4.6=5...(9) HA LYS 44 - H THR 13 OK 25 100 - 25 - 3.8/16=3, 7/4.6=3...(11) HA ILE 35 - H THR 13 OK 14 73 - 18 - 4.1/19=8, 2116/3802=3...(4) HA ARG 45 - H THR 13 lone 5 83 - 5 - Peak 530 from nnoeabs.peaks (4.48, 8.44, 110.79 ppm; 5.41 A): 1 out of 3 assignments used, quality = 1.00: * HB THR 13 + H THR 13 OK 100 100 - 100 - 4.0=100 HA2 GLY 61 - H THR 13 OK 34 99 - 34 - 5378/4.0=15, 1203/3.0=10...(4) HA LYS 17 - H THR 13 OK 26 60 - 43 - 3.0/4313=37, 1203/3.0=4...(4) Peak 531 from nnoeabs.peaks (1.10, 8.44, 110.79 ppm; 3.78 A): 4 out of 4 assignments used, quality = 0.94: * QG2 THR 13 + H THR 13 OK 90 100 - 90 - 4.0=83, 1204/3.0=24...(8) QG1 VAL 66 + H THR 13 OK 28 93 - 30 - 1209=10, 1204/3.0=6...(7) HG3 LYS 14 + H THR 13 OK 14 100 - 14 - 1204/3.0=3, 4275/4.6=2...(7) QG2 THR 38 + H THR 13 OK 11 76 - 14 - 1209=4, 3.2/14=2...(4) Peak 532 from nnoeabs.peaks (8.88, 8.88, 121.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 14 + H LYS 14 OK 100 100 - 100 Peak 533 from nnoeabs.peaks (4.10, 8.88, 121.79 ppm; 5.90 A): 3 out of 6 assignments used, quality = 1.00: * HA LYS 14 + H LYS 14 OK 100 100 - 100 - 3.0=100 HA LYS 91 + H LYS 14 OK 59 100 - 60 - 1213=12, ~3718=8...(19) HB2 SER 62 + H LYS 14 OK 49 87 - 56 - 1.8/2795=13, 3.0/2787=13...(11) HA LYS 26 - H LYS 14 OK 42 100 - 42 - 4.1/1243=9, ~1689=6...(13) HA3 GLY 61 - H LYS 14 OK 37 71 - 52 - 1.8/22=16, 2.9/993=10...(12) HB THR 83 - H LYS 14 OK 11 73 - 14 - 2.1/536=2, 25/4.5=1...(6) Peak 534 from nnoeabs.peaks (1.65, 8.88, 121.79 ppm; 4.64 A): 2 out of 10 assignments used, quality = 1.00: HB3 LYS 14 + H LYS 14 OK 100 100 - 100 - 4.0=100 * HB2 LYS 14 + H LYS 14 OK 100 100 - 100 - 4.0=100 HD2 LYS 91 - H LYS 14 OK 15 98 - 15 - 5.2/1213=5, 4284/3.6=2...(6) HD3 LYS 91 - H LYS 14 OK 15 97 - 15 - 5.2/1213=5, 4284/3.6=2...(6) HG LEU 73 - H LYS 14 OK 10 63 - 16 - 4284/3.6=13 HG2 ARG 28 - H LYS 14 lone 3 93 - 3 - HG3 ARG 28 - H LYS 14 lone 3 90 - 3 - HB3 LEU 73 - H LYS 14 lone 3 71 - 4 - HD2 LYS 31 - H LYS 14 lone 2 71 - 2 - HD3 LYS 31 - H LYS 14 lone 1 65 - 2 - Peak 535 from nnoeabs.peaks (1.65, 8.88, 121.79 ppm; 4.64 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 14 + H LYS 14 OK 100 100 - 100 - 4.0=100 HB2 LYS 14 + H LYS 14 OK 100 100 - 100 - 4.0=100 HD2 LYS 91 - H LYS 14 OK 15 98 - 15 - 5.2/1213=5, 4284/3.6=2...(6) HD3 LYS 91 - H LYS 14 OK 15 97 - 15 - 5.2/1213=5, 4284/3.6=2...(6) HG LEU 73 - H LYS 14 OK 10 63 - 16 - 4284/3.6=13 HG2 ARG 28 - H LYS 14 lone 3 93 - 3 - HG3 ARG 28 - H LYS 14 lone 3 90 - 3 - HB3 LEU 73 - H LYS 14 lone 3 71 - 4 - HD2 LYS 31 - H LYS 14 lone 2 71 - 2 - HD3 LYS 31 - H LYS 14 lone 1 65 - 2 - Peak 536 from nnoeabs.peaks (1.20, 8.88, 121.79 ppm; 6.10 A): 2 out of 9 assignments used, quality = 1.00: * HG2 LYS 14 + H LYS 14 OK 100 100 - 100 - 4.9=100 HG3 LYS 26 + H LYS 14 OK 61 100 - 62 - 1243=14, 1217/3.0=9...(17) HG3 LYS 44 - H LYS 14 OK 19 73 - 25 - 3.8/21=5, 1243=4...(9) QG2 THR 83 - H LYS 14 OK 11 97 - 11 - 1217/3.0=2, 2.1/533=2 HD2 LYS 68 - H LYS 14 OK 11 73 - 14 - 1257/4.9=2, 1217/3.0=2, ~1217=1 HD3 LYS 68 - H LYS 14 OK 10 71 - 14 - 1257/4.9=2, 1217/3.0=1, ~1217=1 QD1 LEU 34 - H LYS 14 lone 7 92 - 7 - HG13 ILE 35 - H LYS 14 lone 5 63 - 7 - 2139/3.6=2, 4.2/21=1 HG2 ARG 45 - H LYS 14 lone 4 60 - 6 - 2336/3.6=1, 3.7/21=1 Peak 537 from nnoeabs.peaks (1.10, 8.88, 121.79 ppm; 5.32 A): 3 out of 4 assignments used, quality = 1.00: * HG3 LYS 14 + H LYS 14 OK 100 100 - 100 - 4.9=100 QG2 THR 13 + H LYS 14 OK 100 100 - 100 - 4.1=100 QG1 VAL 66 + H LYS 14 OK 50 87 - 58 - 2.1/6170=12, 1208/4.3=9...(15) QG2 THR 38 - H LYS 14 OK 11 85 - 12 - 531/4.6=3, 1204/3.6=3...(4) Peak 542 from nnoeabs.peaks (7.93, 7.93, 116.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 15 + H HIS 15 OK 100 100 - 100 Peak 543 from nnoeabs.peaks (4.72, 7.93, 116.56 ppm; 4.80 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 15 + H HIS 15 OK 100 100 - 100 - 3.0=100 HA SER 62 - H HIS 15 OK 39 97 - 40 - 2787/4.5=7, 1314/3.8=6...(10) Peak 544 from nnoeabs.peaks (3.33, 7.93, 116.56 ppm; 6.12 A): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 15 + H HIS 15 OK 100 100 - 100 - 3.8=100 HB3 TYR 70 + H HIS 15 OK 51 99 - 52 - 1305/3.0=18, 1315/3.8=14...(6) Peak 545 from nnoeabs.peaks (2.96, 7.93, 116.56 ppm; 5.44 A): 1 out of 8 assignments used, quality = 1.00: * HB3 HIS 15 + H HIS 15 OK 100 100 - 100 - 3.8=100 HB2 TYR 70 - H HIS 15 OK 35 83 - 43 - 3128/3.8=12, ~1305=12...(6) HE2 LYS 91 - H HIS 15 OK 14 100 - 14 - 6.1/3806=4, 1321/5.8=2...(5) HE3 LYS 91 - H HIS 15 OK 14 100 - 14 - 6.1/3806=4, 1321/5.8=2...(5) HD3 ARG 45 - H HIS 15 lone 7 97 - 7 - 1306/3.0=1, ~1306=1 HD2 ARG 45 - H HIS 15 lone 7 97 - 7 - 1306/3.0=1, ~1306=1 HE2 LYS 31 - H HIS 15 lone 7 100 - 6 - 1306/3.0=1 HE3 LYS 31 - H HIS 15 lone 7 100 - 6 - 1306/3.0=1 Peak 547 from nnoeabs.peaks (8.29, 8.29, 108.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 16 + H GLY 16 OK 100 100 - 100 Peak 548 from nnoeabs.peaks (3.67, 8.29, 108.56 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 16 + H GLY 16 OK 100 100 - 100 - 3.0=100 HD3 PRO 84 - H GLY 16 OK 38 100 - 38 - 1327/3.0=7, 3.0/4116=4...(14) Peak 549 from nnoeabs.peaks (3.97, 8.29, 108.56 ppm; 3.58 A): 1 out of 6 assignments used, quality = 1.00: * HA3 GLY 16 + H GLY 16 OK 100 100 - 100 - 3.0=100 HB3 SER 62 - H GLY 16 OK 11 89 - 13 - 3.0/35=4, 2796/3.6=3...(4) HA PRO 19 - H GLY 16 OK 11 92 - 12 - 3.5/956=4, 3832/4.6=3 HA ALA 71 - H GLY 16 OK 11 99 - 11 - 5657/4.5=4, 41/4.6=2 HA ALA 72 - H GLY 16 lone 6 97 - 6 - 41/4.6=1 HA GLU 25 - H GLY 16 lone 4 100 - 4 - Peak 550 from nnoeabs.peaks (7.60, 7.60, 118.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 17 + H LYS 17 OK 100 100 - 100 Peak 551 from nnoeabs.peaks (4.45, 7.60, 118.49 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 17 + H LYS 17 OK 100 100 - 100 - 3.0=100 HA3 GLY 59 - H LYS 17 OK 36 100 - 36 - 1360/4.8=4, 6045/3.6=4...(15) HB THR 13 - H LYS 17 OK 23 60 - 39 - 4.0/4313=21, 2.1/4316=14...(8) Peak 552 from nnoeabs.peaks (1.72, 7.60, 118.49 ppm; 3.75 A): 2 out of 8 assignments used, quality = 0.99: * HB2 LYS 17 + H LYS 17 OK 89 100 - 89 - 4.0=80, 2.9/1359=13...(12) HB3 LYS 17 + H LYS 17 OK 89 100 - 89 - 4.0=80, 2.9/1359=13...(12) HB3 LYS 65 - H LYS 17 OK 19 93 - 21 - 3.0/555=3, 1331/3.0=3...(9) HB3 LYS 31 - H LYS 17 lone 5 81 - 6 - HB3 ARG 27 - H LYS 17 lone 4 76 - 6 - HG2 LYS 78 - H LYS 17 lone 4 83 - 5 - HB3 GLN 55 - H LYS 17 lone 3 63 - 4 - HB3 MET 48 - H LYS 17 lone 3 57 - 4 - Peak 553 from nnoeabs.peaks (1.72, 7.60, 118.49 ppm; 3.75 A): 2 out of 8 assignments used, quality = 0.99: * HB3 LYS 17 + H LYS 17 OK 89 100 - 89 - 4.0=80, 2.9/1359=13...(12) HB2 LYS 17 + H LYS 17 OK 89 100 - 89 - 4.0=80, 2.9/1359=13...(12) HB3 LYS 65 - H LYS 17 OK 19 92 - 21 - 3.0/555=3, 1331/3.0=3...(9) HB3 LYS 31 - H LYS 17 lone 5 83 - 6 - HB3 ARG 27 - H LYS 17 lone 5 78 - 6 - HG2 LYS 78 - H LYS 17 lone 4 85 - 5 - HB3 GLN 55 - H LYS 17 lone 2 60 - 4 - HB2 LEU 30 - H LYS 17 lone 1 60 - 2 - Peak 554 from nnoeabs.peaks (1.24, 7.60, 118.49 ppm; 4.30 A): 1 out of 9 assignments used, quality = 0.92: * HG2 LYS 17 + H LYS 17 OK 92 100 - 92 - 4.8=73, 1333/3.0=21...(16) QD1 LEU 34 - H LYS 17 OK 19 78 - 24 - 1359=4, 1360/3.0=4...(9) HD3 LYS 68 - H LYS 17 OK 17 96 - 17 - 1333/3.0=3, 1373/4.8=2...(7) HD2 LYS 68 - H LYS 17 OK 16 95 - 17 - 1333/3.0=3, ~1333=2...(7) HG3 LYS 65 - H LYS 17 OK 16 71 - 23 - 1333/3.0=3, 3.0/552=3...(9) HB3 LEU 23 - H LYS 17 OK 11 81 - 14 - 3.9/4486=4, 4153/1486=1...(4) HB2 LEU 79 - H LYS 17 OK 11 95 - 11 - 4310/3.6=1, 1333/3.0=1, 46/4.7=1 HG13 ILE 35 - H LYS 17 lone 9 98 - 10 - 4310/3.6=2, 2144/4253=1...(4) QG2 THR 83 - H LYS 17 poor 8 68 - 12 - 4.2/40=4, 5939/3.6=4, 4.2/3831=2 Peak 555 from nnoeabs.peaks (1.27, 7.60, 118.49 ppm; 4.29 A): 2 out of 8 assignments used, quality = 0.96: * HG3 LYS 17 + H LYS 17 OK 93 100 - 93 - 4.8=73, 1.8/1359=20...(16) HG3 LYS 56 + H LYS 17 OK 39 98 - 40 - 1334/3.0=7, ~5223=5...(15) HG3 LYS 65 - H LYS 17 OK 27 99 - 27 - 1334/3.0=5, 2950/4.0=3...(10) HB3 LEU 23 - H LYS 17 OK 15 97 - 15 - 3.9/4486=4, 4153/1486=2...(4) HB2 LEU 79 - H LYS 17 lone 8 85 - 10 - HB3 LYS 68 - H LYS 17 lone 8 78 - 10 - 3050/4.8=1, 1334/3.0=1, ~1333=1 HD3 LYS 44 - H LYS 17 lone 7 83 - 9 - HG3 LYS 31 - H LYS 17 lone 4 60 - 6 - Peak 556 from nnoeabs.peaks (1.51, 7.60, 118.49 ppm; 5.31 A): 3 out of 14 assignments used, quality = 1.00: HD3 LYS 17 + H LYS 17 OK 96 100 - 96 - 6.1=65, 3.0/1359=22...(21) * HD2 LYS 17 + H LYS 17 OK 96 100 - 96 - 6.1=65, 3.0/1359=22...(21) HB2 LYS 56 + H LYS 17 OK 55 99 - 56 - 5223/3.0=12, 2.9/555=8...(19) HD2 LYS 56 - H LYS 17 OK 35 76 - 46 - 3.0/555=8, ~5223=7...(16) QB ALA 72 - H LYS 17 OK 31 90 - 34 - 5693=10, 2.1/41=5...(8) HG LEU 34 - H LYS 17 OK 31 99 - 31 - 2089/4.7=5, 2.1/554=4...(9) QB ALA 71 - H LYS 17 OK 29 97 - 29 - 4.2/5693=7, 2.1/41=5...(8) HG3 ARG 27 - H LYS 17 OK 12 98 - 12 - 1336/3.0=1, 1793/4.0=1...(4) HB2 LEU 85 - H LYS 17 lone 9 100 - 9 - 4.0/39=3, 3578/4.6=2 HB3 LYS 26 - H LYS 17 lone 8 98 - 8 - HD3 LYS 64 - H LYS 17 lone 7 92 - 8 - 6.2/39=2 HG2 GLU 37 - H LYS 17 lone 6 99 - 6 - HB2 ARG 45 - H LYS 17 lone 4 100 - 4 - HB3 LEU 87 - H LYS 17 lone 4 76 - 5 - 4.2/1023=1 Peak 557 from nnoeabs.peaks (1.51, 7.60, 118.49 ppm; 5.31 A): 3 out of 14 assignments used, quality = 1.00: * HD3 LYS 17 + H LYS 17 OK 96 100 - 96 - 6.1=65, 3.0/1359=22...(21) HD2 LYS 17 + H LYS 17 OK 96 100 - 96 - 6.1=65, 3.0/1359=22...(21) HB2 LYS 56 + H LYS 17 OK 55 99 - 56 - 5223/3.0=12, 2.9/555=8...(19) HD2 LYS 56 - H LYS 17 OK 35 76 - 46 - 3.0/555=8, ~5223=7...(16) QB ALA 72 - H LYS 17 OK 31 90 - 34 - 5693=10, 2.1/41=5...(8) HG LEU 34 - H LYS 17 OK 31 99 - 31 - 2089/4.7=5, 2.1/554=4...(9) QB ALA 71 - H LYS 17 OK 29 97 - 29 - 4.2/5693=7, 2.1/41=5...(8) HG3 ARG 27 - H LYS 17 OK 12 98 - 12 - 1336/3.0=1, 1793/4.0=1...(4) HB2 LEU 85 - H LYS 17 lone 9 100 - 9 - 4.0/39=3, 3578/4.6=2 HB3 LYS 26 - H LYS 17 lone 8 98 - 8 - HD3 LYS 64 - H LYS 17 lone 7 92 - 8 - 6.2/39=2 HG2 GLU 37 - H LYS 17 lone 6 99 - 6 - HB2 ARG 45 - H LYS 17 lone 4 100 - 4 - HB3 LEU 87 - H LYS 17 lone 4 76 - 5 - 4.2/1023=1 Peak 560 from nnoeabs.peaks (8.78, 8.78, 121.13 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ASN 18 + H ASN 18 OK 100 100 - 100 H PHE 57 + H PHE 57 OK 47 47 - 100 Peak 561 from nnoeabs.peaks (4.85, 8.78, 121.13 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 18 + H ASN 18 OK 100 100 - 100 - 3.0=100 HA ASN 18 - H PHE 57 poor 10 55 - 17 - 1419=3, 4.8/3821=3...(8) Peak 562 from nnoeabs.peaks (2.86, 8.78, 121.13 ppm; 3.20 A): 4 out of 20 assignments used, quality = 0.93: * HB2 ASN 18 + H ASN 18 OK 66 100 - 66 - 3.9=54, 1.8/1431=10...(6) HB3 ASN 18 + H ASN 18 OK 66 100 - 66 - 3.9=54, 1.8/1431=10...(6) HE3 LYS 17 + H ASN 18 OK 26 100 - 26 - 1400/3.6=5, 3.9/46=4...(8) HE2 LYS 17 + H ASN 18 OK 25 95 - 26 - 1400/3.6=5, 3.9/46=4...(8) HB3 ASN 24 - H ASN 18 lone 10 100 - 10 - 1426/3.0=2, 1431=1 HB3 TYR 32 - H ASN 18 lone 9 100 - 8 - 4.7/971=2 HB3 ASN 63 - H ASN 18 lone 7 100 - 7 - 3.5/42=1, 2815/4.7=1 HE2 LYS 65 - H ASN 18 lone 5 78 - 6 - HE3 LYS 17 - H PHE 57 lone 5 55 - 8 - 3.9/3825=1, 3.9/3824=1 HB2 ASN 18 - H PHE 57 lone 4 55 - 8 - 3.0/1419=2, 1425=1, 1.8/1431=1 HB3 ASN 18 - H PHE 57 lone 4 55 - 8 - 3.0/1419=2, 1431=1, 1.8/1425=1 HE2 LYS 17 - H PHE 57 lone 4 48 - 8 - 3.9/3825=1, 3.9/3824=1 HE3 LYS 65 - H ASN 18 lone 4 68 - 6 - HB3 TYR 32 - H PHE 57 lone 3 55 - 5 - 4.7/971=3 HB2 ASN 90 - H PHE 57 lone 2 29 - 6 - 3686/3.6=2, ~3692=1, 3686/2.9=1 HB2 ASN 90 - H ASN 18 lone 1 65 - 2 - HB3 ASN 24 - H PHE 57 lone 1 55 - 2 - HB3 ASN 63 - H PHE 57 lone 1 55 - 1 - HE2 LYS 65 - H PHE 57 lone 1 36 - 2 - HE3 LYS 65 - H PHE 57 lone 0 31 - 1 - Peak 563 from nnoeabs.peaks (2.86, 8.78, 121.13 ppm; 3.20 A): 4 out of 20 assignments used, quality = 0.93: HB2 ASN 18 + H ASN 18 OK 66 100 - 66 - 3.9=54, 1.8/1431=10...(6) * HB3 ASN 18 + H ASN 18 OK 66 100 - 66 - 3.9=54, 1.8/1431=10...(6) HE3 LYS 17 + H ASN 18 OK 26 100 - 26 - 1400/3.6=5, 3.9/46=4...(8) HE2 LYS 17 + H ASN 18 OK 24 93 - 26 - 1400/3.6=5, 3.9/46=4...(8) HB3 ASN 24 - H ASN 18 lone 10 100 - 10 - 1426/3.0=2, 1431=1 HB3 TYR 32 - H ASN 18 lone 9 100 - 8 - 4.7/971=2 HB3 ASN 63 - H ASN 18 lone 7 100 - 7 - 3.5/42=1, 2815/4.7=1 HE2 LYS 65 - H ASN 18 lone 5 81 - 6 - HE3 LYS 17 - H PHE 57 lone 4 54 - 8 - 3.9/3825=1, 3.9/3824=1 HB2 ASN 18 - H PHE 57 lone 4 55 - 8 - 3.0/1419=2, 1425=1, 1.8/1431=1 HB3 ASN 18 - H PHE 57 lone 4 55 - 8 - 3.0/1419=2, 1431=1, 1.8/1425=1 HE3 LYS 65 - H ASN 18 lone 4 71 - 6 - HE2 LYS 17 - H PHE 57 lone 4 47 - 8 - 3.9/3825=1, 3.9/3824=1 HB3 TYR 32 - H PHE 57 lone 3 54 - 5 - 4.7/971=3 HB2 ASN 90 - H PHE 57 lone 2 28 - 6 - 3686/3.6=2, ~3692=1, 3686/2.9=1 HB2 ASN 90 - H ASN 18 lone 1 63 - 2 - HB3 ASN 24 - H PHE 57 lone 1 55 - 2 - HB3 ASN 63 - H PHE 57 lone 1 55 - 1 - HE2 LYS 65 - H PHE 57 lone 1 38 - 2 - HE3 LYS 65 - H PHE 57 lone 0 32 - 2 - Peak 565 from nnoeabs.peaks (7.12, 8.78, 121.13 ppm; 5.53 A): 2 out of 6 assignments used, quality = 0.98: * HD22 ASN 18 + H ASN 18 OK 96 100 - 96 - 5.7=92, 3.5/1431=17...(9) H MET 21 + H ASN 18 OK 57 100 - 57 - 6.1/6155=11, 4429/3.9=10...(10) HD22 ASN 18 - H PHE 57 OK 10 55 - 19 - 4.6/1419=5, 4328/4.6=4...(5) H MET 21 - H PHE 57 poor 10 55 - 18 - 959/4.6=5, 6.1/6155=3...(4) HD2 HIS 42 - H ASN 18 lone 2 63 - 3 - HD2 HIS 42 - H PHE 57 lone 1 28 - 3 - Peak 566 from nnoeabs.peaks (7.59, 7.59, 116.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 20 + H VAL 20 OK 100 100 - 100 Peak 567 from nnoeabs.peaks (3.38, 7.59, 116.61 ppm; 3.62 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 20 + H VAL 20 OK 100 100 - 100 - 3.0=100 HD2 PRO 81 + H VAL 20 OK 57 100 - 57 - 1502/4.0=7, 1497/4.0=7...(20) Peak 568 from nnoeabs.peaks (1.94, 7.59, 116.61 ppm; 2.89 A): 6 out of 13 assignments used, quality = 0.91: * HB VAL 20 + H VAL 20 OK 63 100 - 63 - 4.0=39, 2.1/1501=15...(9) HG2 PRO 19 + H VAL 20 OK 37 78 - 47 - 4.9=21, 2.3/57=10...(6) HG3 PRO 81 + H VAL 20 OK 27 87 - 31 - 2.3/567=7, 3496/3.0=5...(12) HB3 GLU 22 + H VAL 20 OK 27 100 - 27 - 4.0/1019=5, 3.0/4386=5...(10) HG3 PRO 84 + H VAL 20 OK 19 97 - 19 - 2.3/58=4, 3567/3.5=2...(7) HB2 LEU 76 + H VAL 20 OK 14 99 - 15 - 3228/4.0=2, 1488/3.0=2...(7) HB2 GLU 77 - H VAL 20 poor 9 81 - 11 - 3.0/4386=2, 61/4.6=2, ~4390=1 HB2 GLN 58 - H VAL 20 poor 9 76 - 11 - 1491=2, 4.6/1019=1...(4) HD2 LYS 78 - H VAL 20 lone 6 89 - 7 - 3.7/56=1 QE MET 48 - H VAL 20 lone 5 99 - 5 - 4869/4.0=1 HG3 GLU 49 - H VAL 20 lone 5 97 - 5 - HB2 GLU 33 - H VAL 20 lone 5 100 - 5 - HB VAL 47 - H VAL 20 lone 2 99 - 2 - Peak 569 from nnoeabs.peaks (0.74, 7.59, 116.61 ppm; 2.88 A): 4 out of 6 assignments used, quality = 0.92: * QG1 VAL 20 + H VAL 20 OK 70 100 - 70 - 4.0=37, 2.1/1501=15...(11) QG2 VAL 20 + H VAL 20 OK 61 90 - 67 - 4.0=37, 2.1/1491=15...(9) QD1 LEU 12 + H VAL 20 OK 20 100 - 20 - 2.1/4253=3, 4266/3.5=3...(8) QD1 LEU 79 + H VAL 20 OK 20 98 - 21 - 4.0/57=4, 3406/3.5=3...(10) HG2 LYS 26 - H VAL 20 lone 10 100 - 10 - 1489/3.0=2, ~4388=1 QD1 LEU 30 - H VAL 20 lone 3 73 - 4 - Peak 570 from nnoeabs.peaks (0.73, 7.59, 116.61 ppm; 2.83 A): 5 out of 7 assignments used, quality = 0.92: * QG2 VAL 20 + H VAL 20 OK 66 100 - 66 - 4.0=35, 2.1/1491=14...(10) QG1 VAL 20 + H VAL 20 OK 60 90 - 67 - 4.0=35, 2.1/1501=15...(9) QD1 LEU 79 + H VAL 20 OK 19 99 - 19 - 4.0/57=3, 3406/3.5=3...(7) QD1 LEU 12 + H VAL 20 OK 16 90 - 17 - 2.1/4253=3, 4266/3.5=2...(7) QD2 LEU 76 + H VAL 20 OK 13 93 - 14 - 1490/3.0=2, ~4388=2...(5) HG2 LYS 26 - H VAL 20 lone 7 87 - 9 - 1489/3.0=1, ~4388=1 HG3 LYS 64 - H VAL 20 lone 2 73 - 3 - Peak 571 from nnoeabs.peaks (7.12, 7.12, 119.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 21 + H MET 21 OK 100 100 - 100 Peak 572 from nnoeabs.peaks (4.14, 7.12, 119.06 ppm; 3.70 A): 1 out of 4 assignments used, quality = 1.00: * HA MET 21 + H MET 21 OK 100 100 - 100 - 3.0=100 HA ALA 74 - H MET 21 OK 29 100 - 29 - 1521/4.0=5, 1514/4.0=5...(9) HB THR 83 - H MET 21 poor 9 83 - 11 - 65/4.6=1, 1521/4.0=1...(4) HB2 SER 62 - H MET 21 lone 3 68 - 4 - Peak 573 from nnoeabs.peaks (2.06, 7.12, 119.06 ppm; 3.19 A): 3 out of 8 assignments used, quality = 0.96: * HB2 MET 21 + H MET 21 OK 81 100 - 81 - 4.0=52, 1.8/574=20...(10) QE MET 21 + H MET 21 OK 65 100 - 65 - 3.4/575=15, 6.1=14...(13) HB3 GLU 77 + H MET 21 OK 33 98 - 34 - 4232/3.0=7, 3.0/576=6...(12) HG2 GLU 22 - H MET 21 OK 27 98 - 27 - 5.0/959=6, 5.0/1027=6...(9) HG3 GLN 55 - H MET 21 OK 23 83 - 28 - 1.8/574=8, ~1509=3...(11) HB2 GLN 55 - H MET 21 OK 20 81 - 24 - 2.9/574=6, 1513=3...(11) HA ALA 75 - H MET 21 OK 14 99 - 14 - ~4161=3, 5756/3.0=3...(5) HG3 GLU 33 - H MET 21 lone 6 100 - 6 - 3.0/61=1 Peak 574 from nnoeabs.peaks (2.15, 7.12, 119.06 ppm; 3.50 A): 3 out of 3 assignments used, quality = 0.94: * HB3 MET 21 + H MET 21 OK 90 100 - 90 - 4.0=68, 2.9/575=20...(13) HG2 GLN 55 + H MET 21 OK 34 90 - 37 - 1509/3.0=7, 1516/4.0=4...(16) HB VAL 52 + H MET 21 OK 12 96 - 12 - 1509/3.0=2, 5117/4.3=1...(6) Peak 575 from nnoeabs.peaks (2.63, 7.12, 119.06 ppm; 3.90 A): 2 out of 2 assignments used, quality = 0.93: * HG2 MET 21 + H MET 21 OK 92 100 - 92 - 4.9=50, 1510/3.0=22...(16) HE2 LYS 44 + H MET 21 OK 19 90 - 21 - 1510/3.0=6, 1524/4.0=4...(6) Peak 576 from nnoeabs.peaks (2.46, 7.12, 119.06 ppm; 3.92 A): 2 out of 4 assignments used, quality = 0.97: * HG3 MET 21 + H MET 21 OK 93 100 - 93 - 4.9=51, 1.8/575=31...(16) HG3 GLU 77 + H MET 21 OK 52 100 - 52 - 1511/3.0=10, 1525/4.0=8...(16) HG3 GLU 25 - H MET 21 OK 21 96 - 22 - 1511/3.0=5, 4.0/1020=3...(9) HB3 ASP 43 - H MET 21 poor 9 83 - 10 - 4.2/59=3, 1511/3.0=2 Peak 577 from nnoeabs.peaks (2.06, 7.12, 119.06 ppm; 3.19 A): 3 out of 8 assignments used, quality = 0.96: HB2 MET 21 + H MET 21 OK 81 100 - 81 - 4.0=52, 1.8/574=20...(10) * QE MET 21 + H MET 21 OK 65 100 - 65 - 3.4/575=15, 6.1=14...(13) HB3 GLU 77 + H MET 21 OK 32 97 - 34 - 4232/3.0=7, 3.0/576=6...(12) HG2 GLU 22 - H MET 21 OK 26 97 - 27 - 5.0/959=6, 5.0/1027=6...(9) HG3 GLN 55 - H MET 21 OK 24 87 - 28 - 1.8/574=8, ~1509=3...(11) HB2 GLN 55 - H MET 21 OK 21 85 - 25 - 2.9/574=6, 1513=3...(11) HA ALA 75 - H MET 21 OK 14 100 - 14 - ~4161=3, 5756/3.0=3...(5) HG3 GLU 33 - H MET 21 lone 6 100 - 6 - 3.0/61=1 Peak 578 from nnoeabs.peaks (8.23, 8.23, 120.42 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * H GLU 22 + H GLU 22 OK 100 100 - 100 H ASP 88 + H ASP 88 OK 66 66 - 100 H LYS 56 - H LYS 56 OK 22 22 - 100 Peak 579 from nnoeabs.peaks (3.89, 8.23, 120.42 ppm; 3.25 A): 1 out of 15 assignments used, quality = 1.00: * HA GLU 22 + H GLU 22 OK 100 100 - 100 - 3.0=100 HA GLU 77 - H GLU 22 OK 28 85 - 33 - 3.0/1560=4, 1555/4.0=4...(18) HA GLU 22 - H ASP 88 OK 17 81 - 21 - 1548=5, 3.6/71=4...(6) HA ALA 69 - H GLU 22 poor 8 81 - 10 - 6190/1019=2, 1555/4.0=1 HA LEU 73 - H GLU 22 poor 8 76 - 10 - 72/4.6=2, 1555/4.0=1 HA GLU 77 - H ASP 88 poor 7 62 - 11 - 3257=2, 3.6/363=2...(6) HA GLU 22 - H LYS 56 poor 6 48 - 13 - 1548=2, 6122/4.0=2...(5) HA LEU 73 - H ASP 88 lone 3 54 - 6 - HA3 GLY 29 - H GLU 22 lone 3 85 - 4 - HA GLU 77 - H LYS 56 lone 3 35 - 8 - 6049/3.6=3, 3.6/1010=2 HA ALA 69 - H LYS 56 lone 2 32 - 6 - 4200/4.0=2, 3115/4.0=1 HA ALA 69 - H ASP 88 lone 2 58 - 3 - HA3 GLY 29 - H ASP 88 lone 2 62 - 3 - HA3 GLY 29 - H LYS 56 lone 1 35 - 2 - HA LEU 73 - H LYS 56 lone 1 30 - 2 - Peak 580 from nnoeabs.peaks (1.84, 8.23, 120.42 ppm; 3.34 A): 6 out of 33 assignments used, quality = 0.92: * HB2 GLU 22 + H GLU 22 OK 81 100 - 81 - 4.0=57, 1.8/1560=15...(12) HG3 PRO 19 + H GLU 22 OK 18 71 - 26 - 3.8/4142=8, 4.9/1019=5...(9) HB2 GLU 22 + H ASP 88 OK 17 81 - 21 - 1554=5, 3.0/583=3...(7) HB2 GLU 49 + H GLU 22 OK 15 100 - 15 - 1.8/4938=2, 1550/3.0=2...(5) HG2 PRO 81 + H GLU 22 OK 14 87 - 16 - 3.8/4446=3, 2.3/1022=2...(5) HB3 PRO 84 + H GLU 22 OK 10 96 - 10 - 1550/3.0=2, 1562/4.0=1 HB VAL 66 - H GLU 22 lone 10 100 - 10 - 1550/3.0=2, 1574/5.0=1...(4) HB2 GLU 49 - H LYS 56 poor 10 47 - 21 - 1.8/4938=4, ~4948=3...(7) HB VAL 66 - H ASP 88 poor 9 81 - 11 - 2.1/3007=3, 3002=2...(5) HB3 LYS 78 - H GLU 22 poor 7 63 - 11 - ~6202=2, 1550/3.0=1, ~4164=1 HB3 GLU 33 - H GLU 22 poor 7 63 - 10 - 1550/3.0=1, 1.8/581=1...(4) HB2 GLU 22 - H LYS 56 poor 6 48 - 13 - 1554=2, 4450/4.7=2...(7) HB3 LYS 78 - H ASP 88 poor 5 44 - 11 - 3308/3.6=2, 4089/4.6=2...(5) HB3 PRO 84 - H ASP 88 lone 5 73 - 6 - 4.3/1013=4 HB3 GLU 37 - H GLU 22 lone 5 85 - 5 - HB2 LYS 44 - H LYS 56 poor 4 24 - 15 - ~6081=4, ~2615=1...(5) HG3 PRO 19 - H ASP 88 lone 3 50 - 7 - 3.8/4142=2, 4.9/1019=2 HB3 LYS 78 - H LYS 56 poor 3 24 - 13 - 1.8/4088=2, 4.0/1010=2...(8) HB2 GLU 37 - H GLU 22 lone 3 65 - 5 - HB2 LYS 44 - H GLU 22 lone 3 63 - 5 - 4.0/1023=1, 4.8/68=1 HB2 GLU 49 - H ASP 88 lone 3 80 - 4 - HG3 PRO 19 - H LYS 56 poor 3 27 - 11 - 4374/4.7=2, 4377/4.0=2...(5) HG2 PRO 81 - H ASP 88 lone 3 64 - 4 - HG2 PRO 81 - H LYS 56 lone 2 36 - 7 - 3484/3.6=2 HB3 GLU 33 - H LYS 56 lone 2 24 - 9 - 3913/4.6=2 HB VAL 66 - H LYS 56 lone 2 48 - 4 - HB3 GLU 37 - H ASP 88 lone 1 62 - 2 - HB3 PRO 84 - H LYS 56 lone 1 42 - 3 - HB2 LYS 44 - H ASP 88 lone 1 44 - 2 - HB3 GLU 33 - H ASP 88 lone 1 44 - 2 - HB3 GLU 37 - H LYS 56 lone 1 35 - 2 - HB2 GLU 37 - H ASP 88 lone 1 46 - 2 - HB2 GLU 37 - H LYS 56 lone 0 25 - 2 - Peak 581 from nnoeabs.peaks (1.94, 8.23, 120.42 ppm; 3.19 A): 4 out of 45 assignments used, quality = 0.93: * HB3 GLU 22 + H GLU 22 OK 77 100 - 77 - 4.0=49, 1.8/1554=15...(12) HB VAL 20 + H GLU 22 OK 37 100 - 38 - 4.4/959=8, 4.0/1019=6...(12) HB2 GLU 77 + H GLU 22 OK 36 90 - 40 - 1560=8, 4230/3.6=5...(18) HG2 PRO 19 + H GLU 22 OK 24 89 - 27 - 3.8/4142=7, 4.9/1019=5...(10) HB2 LEU 76 - H GLU 22 OK 21 100 - 21 - 4223/3.0=4, 74/4.6=2...(11) HB3 GLU 22 - H ASP 88 OK 16 81 - 20 - 1560=4, 1.8/1554=3...(6) HB2 GLU 33 - H GLU 22 OK 13 100 - 13 - 2049/5.0=2, 1551/3.0=1 HG3 PRO 81 - H GLU 22 OK 11 76 - 15 - 3.8/4446=2, 2.3/1022=2...(5) HB2 LEU 76 - H ASP 88 OK 11 80 - 13 - 4077=2, 1.8/4078=1...(6) HG3 GLU 49 - H GLU 22 OK 10 90 - 11 - 3.0/4938=2, 3.0/580=1...(4) HB3 PRO 81 - H GLU 22 poor 10 65 - 15 - 2.3/4446=4, 3.0/1022=2...(4) HG3 PRO 84 - H GLU 22 lone 9 99 - 9 - 2.3/580=1, 1551/3.0=1 HG3 GLU 49 - H LYS 56 poor 9 38 - 23 - ~4948=3, 4940/4.6=3...(8) HB2 GLU 77 - H ASP 88 poor 8 67 - 12 - 3263=2, 1.8/3269=2...(6) HB2 GLN 58 - H GLU 22 lone 8 87 - 9 - 2.9/2767=1, 2.9/2759=1 HB VAL 20 - H ASP 88 lone 8 79 - 10 - 4.4/959=2, 4.0/1019=2 HB2 GLN 58 - H LYS 56 poor 7 36 - 20 - 2.9/2759=4, 2.9/2767=4...(7) HB3 GLU 22 - H LYS 56 poor 7 48 - 14 - 1560=2, 4453/4.7=2...(5) HB2 GLU 51 - H LYS 56 poor 7 27 - 24 - ~6052=7, ~5073=4...(7) HB2 GLU 33 - H LYS 56 poor 6 48 - 13 - 3912/4.6=3, 2045/3.0=1 HD2 LYS 78 - H GLU 22 lone 5 78 - 7 - ~6202=2 QE MET 48 - H LYS 56 poor 5 42 - 12 - 4867/4.7=3, 4920/4.6=3...(4) HG2 PRO 19 - H LYS 56 poor 5 37 - 13 - 4373/4.7=3, 4379/4.0=2...(5) HB VAL 20 - H LYS 56 poor 5 47 - 10 - 4.4/959=2, 4.0/1019=2...(4) HD2 LYS 78 - H ASP 88 lone 4 56 - 7 - 3338/3.6=3, 4092/4.6=1 QE MET 48 - H GLU 22 lone 4 96 - 4 - HG2 PRO 19 - H ASP 88 lone 4 66 - 6 - 3.8/4142=2, 4.9/1019=1 HD2 LYS 78 - H LYS 56 lone 3 31 - 9 - 3.7/4089=1, 3.7/4088=1 HB VAL 47 - H GLU 22 lone 3 96 - 3 - HB2 GLU 33 - H ASP 88 lone 3 81 - 3 - HB2 LEU 76 - H LYS 56 lone 3 47 - 5 - HB2 GLU 77 - H LYS 56 lone 2 38 - 6 - 4.1/1010=1 HG3 GLU 49 - H ASP 88 lone 2 67 - 3 - QE MET 48 - H ASP 88 lone 2 73 - 3 - HG3 PRO 84 - H ASP 88 lone 2 79 - 3 - HG3 PRO 81 - H ASP 88 lone 2 54 - 4 - HG3 PRO 81 - H LYS 56 lone 2 30 - 7 - 3491/3.6=1 HB3 PRO 81 - H ASP 88 lone 2 46 - 4 - 2.3/4446=1 HB3 PRO 81 - H LYS 56 lone 2 25 - 6 - 2.3/4446=1 HG3 PRO 84 - H LYS 56 lone 1 46 - 3 - HB VAL 47 - H LYS 56 lone 1 42 - 3 - HB2 GLN 58 - H ASP 88 lone 1 64 - 2 - HB VAL 47 - H ASP 88 lone 1 73 - 1 - HB2 GLU 51 - H GLU 22 lone 1 71 - 1 - HB2 GLU 51 - H ASP 88 lone 0 50 - 1 - Peak 582 from nnoeabs.peaks (2.07, 8.23, 120.42 ppm; 3.21 A): 4 out of 24 assignments used, quality = 0.96: * HG2 GLU 22 + H GLU 22 OK 72 100 - 72 - 5.0=27, 1.8/583=19...(11) HB2 MET 21 + H GLU 22 OK 62 98 - 63 - 4.6=33, 1.8/67=12...(12) QE MET 21 + H GLU 22 OK 41 97 - 43 - 1544/4.6=10, 3.4/3844=7...(10) HB3 GLU 77 + H GLU 22 OK 37 100 - 37 - 4232/3.6=6, 1.8/1560=6...(16) HA ALA 75 - H GLU 22 OK 18 92 - 19 - ~4163=3, 5756/3.6=2...(7) HG2 GLU 22 - H ASP 88 OK 15 81 - 19 - 1.8/583=4, 1566=3...(6) HB2 MET 21 - H ASP 88 OK 15 76 - 19 - 1.8/3843=4, 3842=3...(7) HB3 GLU 25 - H GLU 22 OK 15 63 - 23 - ~4165=5, 3.0/1024=5...(8) HG3 GLN 55 - H LYS 56 OK 12 22 - 52 - 4.7=33, 3.8/3986=8...(7) HG3 GLU 33 - H GLU 22 OK 11 99 - 11 - 1558/4.0=2, 2064/4.0=2 QE MET 21 - H ASP 88 OK 11 74 - 15 - 3.4/3844=3, 3.4/3845=2...(8) HB3 GLU 77 - H ASP 88 poor 10 81 - 12 - 3269=2, 4.1/363=2...(6) HG3 GLN 55 - H GLU 22 poor 10 60 - 16 - 1.8/67=4, 3.8/4446=2...(5) HB2 MET 21 - H LYS 56 poor 9 44 - 20 - 1.8/3843=3, 1516/4.7=2...(9) QE MET 21 - H LYS 56 poor 9 43 - 21 - 1544/4.7=4, 4444/5.8=2...(11) HA ALA 75 - H ASP 88 lone 7 69 - 9 - 5746/4.6=2, 3.6/1008=1 HA ALA 75 - H LYS 56 poor 5 39 - 13 - 5746=2, 2.1/5744=2, 5765/4.7=1 HG3 GLU 33 - H LYS 56 poor 5 46 - 11 - 3915/4.6=3, 2063/3.0=1 HG2 GLU 22 - H LYS 56 poor 5 48 - 10 - 1.8/583=1, 1566=1...(5) HB3 GLU 77 - H LYS 56 lone 3 48 - 5 - 4.1/1010=1 HG3 GLN 55 - H ASP 88 lone 2 42 - 5 - HG3 GLU 33 - H ASP 88 lone 2 78 - 2 - HB3 GLU 25 - H ASP 88 lone 1 44 - 3 - HB3 GLU 25 - H LYS 56 lone 0 24 - 1 - Peak 583 from nnoeabs.peaks (2.12, 8.23, 120.42 ppm; 3.38 A): 3 out of 6 assignments used, quality = 0.84: * HG3 GLU 22 + H GLU 22 OK 74 100 - 74 - 5.0=31, 1553/3.0=20...(10) HB3 GLU 25 + H GLU 22 OK 26 76 - 35 - 1553/3.0=8, ~4165=6...(9) HG3 GLU 22 + H ASP 88 OK 16 81 - 20 - 1572=4, 1.8/1566=3...(6) HG3 GLU 22 - H LYS 56 poor 5 48 - 10 - 1572=1, 1.8/1566=1...(6) HB3 GLU 25 - H ASP 88 lone 2 54 - 4 - HB3 GLU 25 - H LYS 56 lone 0 30 - 2 - Peak 584 from nnoeabs.peaks (8.38, 8.38, 119.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 23 + H LEU 23 OK 100 100 - 100 Peak 585 from nnoeabs.peaks (3.93, 8.38, 119.18 ppm; 3.30 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 23 + H LEU 23 OK 100 100 - 100 - 3.0=100 HA LEU 76 + H LEU 23 OK 47 98 - 48 - 4.0/5782=8, 2.9/4467=6...(19) HA LEU 73 - H LEU 23 OK 33 85 - 39 - 1578=7, 1593/3.9=4...(16) HA ALA 72 - H LEU 23 OK 13 57 - 22 - 2.1/4467=5, 5768/4.8=2...(8) Peak 586 from nnoeabs.peaks (2.02, 8.38, 119.18 ppm; 3.13 A): 5 out of 10 assignments used, quality = 0.90: * HB2 LEU 23 + H LEU 23 OK 79 100 - 79 - 3.9=52, 1.8/587=17...(15) HB2 GLU 25 + H LEU 23 OK 24 76 - 31 - 4.1/1036=8, 1.8/76=7...(7) HB3 GLU 49 + H LEU 23 OK 17 100 - 17 - 1.8/73=3, 1594/3.9=2...(7) HG2 GLU 49 + H LEU 23 OK 16 100 - 16 - 3.0/73=3, 1594/3.9=2...(6) HB2 LYS 78 + H LEU 23 OK 13 78 - 16 - 2.8/4467=2, 1.8/73=2...(7) HG2 PRO 84 - H LEU 23 lone 7 83 - 8 - 2.3/73=2, 1.8/74=1 HB2 GLN 55 - H LEU 23 lone 6 81 - 8 - HE3 LYS 68 - H LEU 23 lone 6 60 - 10 - 3.7/590=1 HG3 GLN 55 - H LEU 23 lone 5 78 - 6 - HB2 LEU 34 - H LEU 23 lone 3 81 - 3 - Peak 587 from nnoeabs.peaks (1.26, 8.38, 119.18 ppm; 3.23 A): 4 out of 7 assignments used, quality = 0.91: * HB3 LEU 23 + H LEU 23 OK 82 100 - 82 - 3.9=57, 1.8/586=16...(17) HB2 LEU 79 + H LEU 23 OK 37 99 - 38 - 3.0/4467=5, 1581/3.0=4...(12) HG3 LYS 17 + H LEU 23 OK 13 97 - 13 - 1581/3.0=2, 4.8/4486=2...(5) HG3 LYS 65 + H LEU 23 OK 11 100 - 11 - 1581/3.0=1, 1588/3.9=1 HG2 LYS 17 - H LEU 23 poor 9 81 - 11 - 4.8/4486=2, 1581/3.0=1 HG3 LYS 56 - H LEU 23 lone 8 83 - 10 - 2.9/4467=1 HG13 ILE 35 - H LEU 23 lone 2 57 - 3 - Peak 588 from nnoeabs.peaks (1.61, 8.38, 119.18 ppm; 4.23 A): 2 out of 12 assignments used, quality = 0.95: * HG LEU 23 + H LEU 23 OK 90 100 - 90 - 5.1=56, 2.1/589=22...(12) HG LEU 73 + H LEU 23 OK 55 99 - 56 - 2.1/590=8, 1599=6...(19) HG LEU 87 - H LEU 23 OK 29 100 - 29 - 2.1/589=5, 4.9/71=4...(10) HB2 LYS 68 - H LEU 23 OK 26 99 - 27 - 3038/4.8=3, 1596/3.9=3...(8) HB2 LEU 87 - H LEU 23 OK 26 96 - 27 - 4.2/71=5, 3.1/589=4...(9) HG LEU 85 - H LEU 23 OK 24 99 - 24 - 2.1/589=4, 1599=3...(9) HB3 LEU 85 - H LEU 23 OK 19 83 - 23 - 3.1/589=3, 3.0/1599=2...(10) HB2 LEU 12 - H LEU 23 OK 13 96 - 14 - 3.0/4467=2, 81/4.6=2...(4) HD3 LYS 91 - H LEU 23 lone 4 68 - 6 - 6.0/428=3 HD2 LYS 91 - H LEU 23 lone 4 65 - 6 - 6.0/428=3 HD2 LYS 14 - H LEU 23 lone 3 65 - 4 - HD3 LYS 14 - H LEU 23 lone 3 63 - 4 - Peak 589 from nnoeabs.peaks (0.91, 8.38, 119.18 ppm; 3.42 A): 5 out of 6 assignments used, quality = 0.91: * QD2 LEU 23 + H LEU 23 OK 78 100 - 78 - 4.8=36, 2.1/1613=14...(16) HD3 LYS 26 + H LEU 23 OK 27 92 - 30 - 4525/3.0=5, ~4524=3...(11) HB3 LEU 30 + H LEU 23 OK 22 92 - 24 - 1597/3.9=4, 1590/3.9=3...(7) QD1 LEU 87 + H LEU 23 OK 17 83 - 21 - 4.8/71=3, 2.1/588=2...(8) QD1 LEU 85 + H LEU 23 OK 13 76 - 17 - 1597/3.9=2, 2.1/588=2...(8) QG2 VAL 52 - H LEU 23 lone 3 68 - 5 - Peak 590 from nnoeabs.peaks (0.79, 8.38, 119.18 ppm; 3.69 A): 3 out of 5 assignments used, quality = 0.95: * QD1 LEU 23 + H LEU 23 OK 84 100 - 84 - 4.8=46, 2.1/589=18...(14) QD2 LEU 79 + H LEU 23 OK 45 100 - 45 - 2.1/4467=8, 3.1/587=7...(13) QD1 LEU 73 + H LEU 23 OK 44 96 - 46 - 3190/3.0=7, 2.1/588=5...(19) QD1 LEU 30 - H LEU 23 OK 25 87 - 29 - 6078/3.9=5, 6032/3.0=5...(10) HG3 LYS 68 - H LEU 23 OK 18 92 - 19 - 1598/3.9=3, 2.9/588=2...(8) Peak 591 from nnoeabs.peaks (7.74, 7.74, 116.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 24 + H ASN 24 OK 100 100 - 100 Peak 592 from nnoeabs.peaks (4.63, 7.74, 116.98 ppm; 3.41 A): 1 out of 11 assignments used, quality = 1.00: * HA ASN 24 + H ASN 24 OK 100 100 - 100 - 2.9=100 HA ASN 63 - H ASN 24 OK 35 100 - 35 - 3.0/593=7, 2801/3.7=6...(12) HA ARG 27 - H ASN 24 OK 11 97 - 12 - 85/4.6=3, 4518/4488=2 HA LEU 12 - H ASN 24 OK 11 83 - 13 - 4.0/4489=2, 3.0/81=2...(5) HA THR 38 - H ASN 24 lone 6 92 - 7 - 3.6/77=3 HA GLU 33 - H ASN 24 lone 6 100 - 6 - 3.0/4492=1 HA ASP 43 - H ASN 24 lone 3 78 - 4 - HA LYS 31 - H ASN 24 lone 3 57 - 5 - HA ASP 82 - H ASN 24 lone 2 97 - 2 - HA HIS 42 - H ASN 24 lone 2 100 - 2 - HA PHE 57 - H ASN 24 lone 1 71 - 2 - Peak 593 from nnoeabs.peaks (2.92, 7.74, 116.98 ppm; 3.09 A): 3 out of 6 assignments used, quality = 0.86: * HB2 ASN 24 + H ASN 24 OK 76 100 - 76 - 3.7=58, 1.8/594=15...(6) HB2 ASN 63 + H ASN 24 OK 30 99 - 31 - 1.8/594=6, 1622/2.9=6...(10) HB3 PHE 80 + H ASN 24 OK 15 96 - 16 - 5892/3.6=3, 4.8/1034=2...(9) HE2 LYS 14 - H ASN 24 lone 4 98 - 4 - HE3 LYS 14 - H ASN 24 lone 4 96 - 4 - HB2 ASP 53 - H ASN 24 lone 3 71 - 5 - 1626=1 Peak 594 from nnoeabs.peaks (2.86, 7.74, 116.98 ppm; 3.01 A): 4 out of 10 assignments used, quality = 0.88: * HB3 ASN 24 + H ASN 24 OK 74 100 - 74 - 3.7=54, 1.8/593=19...(6) HB3 ASN 63 + H ASN 24 OK 31 100 - 31 - 1.8/593=7, 2812/2.9=5...(9) HB2 ASN 18 + H ASN 24 OK 19 100 - 19 - 1632=4, 1.8/1632=3...(9) HB3 ASN 18 + H ASN 24 OK 19 100 - 19 - 1632=4, 1.8/1632=3...(9) HB3 TYR 32 - H ASN 24 lone 8 100 - 8 - HE3 LYS 17 - H ASN 24 lone 7 100 - 7 - 3.9/80=1 HE2 LYS 17 - H ASN 24 lone 7 97 - 7 - 3.9/80=1 HB2 ASN 90 - H ASN 24 lone 5 71 - 8 - 4.0/77=3, 3.0/6135=1 HE2 LYS 65 - H ASN 24 lone 2 73 - 3 - 3.8/80=1 HE3 LYS 65 - H ASN 24 lone 2 63 - 3 - 3.8/80=1 Peak 596 from nnoeabs.peaks (6.98, 7.74, 116.98 ppm; 5.78 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 24 + H ASN 24 OK 100 100 - 100 - 5.4=100 HD2 HIS 10 - H ASN 24 lone 3 65 - 4 - Peak 597 from nnoeabs.peaks (7.36, 7.36, 115.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 25 + H GLU 25 OK 100 100 - 100 Peak 598 from nnoeabs.peaks (3.97, 7.36, 115.27 ppm; 3.21 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 25 + H GLU 25 OK 100 100 - 100 - 3.0=100 HA ALA 72 - H GLU 25 OK 31 97 - 32 - 4216=8, 2.9/5686=4...(12) HA ALA 71 - H GLU 25 OK 23 99 - 23 - 4214=5, 3.6/5686=4...(7) HA PRO 19 - H GLU 25 OK 17 92 - 18 - 2.3/599=3, 2.3/599=3...(8) HA3 GLY 16 - H GLU 25 lone 4 100 - 4 - HB3 SER 62 - H GLU 25 lone 4 89 - 4 - Peak 599 from nnoeabs.peaks (1.99, 7.36, 115.27 ppm; 3.22 A): 6 out of 12 assignments used, quality = 0.93: * HB2 GLU 25 + H GLU 25 OK 79 100 - 79 - 4.1=49, 1.8/600=20...(14) HB2 LEU 23 + H GLU 25 OK 30 76 - 39 - 4.6/84=13, 3.0/1035=9...(7) HE3 LYS 68 + H GLU 25 OK 19 99 - 19 - 1.8/601=4, 1640/3.0=2...(8) HB3 PRO 19 + H GLU 25 OK 19 98 - 19 - 1640/3.0=3, 2.3/598=3...(5) HB2 PRO 19 + H GLU 25 OK 18 95 - 19 - 1640/3.0=3, 2.3/598=3...(4) HB2 LYS 78 + H GLU 25 OK 11 100 - 11 - 4.4/4487=2, 1640/3.0=1 HB2 LEU 34 - H GLU 25 lone 7 100 - 7 - 3.1/4502=1 HG2 PRO 84 - H GLU 25 lone 3 100 - 3 - HB3 GLU 49 - H GLU 25 lone 3 71 - 4 - HG2 GLU 49 - H GLU 25 lone 3 76 - 3 - HB3 PRO 81 - H GLU 25 lone 3 76 - 3 - HB2 GLU 51 - H GLU 25 lone 1 71 - 2 - Peak 600 from nnoeabs.peaks (2.10, 7.36, 115.27 ppm; 3.00 A): 4 out of 4 assignments used, quality = 0.85: * HB3 GLU 25 + H GLU 25 OK 70 100 - 70 - 4.1=40, 1.8/1644=17...(9) HB3 GLU 77 + H GLU 25 OK 27 63 - 43 - 3.0/602=8, 3.0/601=7...(15) HG3 GLU 22 + H GLU 25 OK 20 76 - 27 - 4.0/4163=7, 5.0/1036=5...(9) HG2 GLU 22 + H GLU 25 OK 16 63 - 26 - 4.0/4163=7, 5.0/1036=5...(9) Peak 601 from nnoeabs.peaks (2.22, 7.36, 115.27 ppm; 3.44 A): 3 out of 4 assignments used, quality = 0.93: * HG2 GLU 25 + H GLU 25 OK 78 100 - 78 - 5.0=33, 1.8/602=19...(8) HG2 GLU 77 + H GLU 25 OK 59 100 - 59 - 1.8/602=14, 1642/3.0=10...(16) HE2 LYS 68 + H GLU 25 OK 21 98 - 21 - 1.8/599=4, 1642/3.0=3...(8) HG2 GLU 33 - H GLU 25 lone 8 100 - 8 - 1642/3.0=1 Peak 602 from nnoeabs.peaks (2.44, 7.36, 115.27 ppm; 3.26 A): 3 out of 4 assignments used, quality = 0.89: * HG3 GLU 25 + H GLU 25 OK 73 100 - 73 - 5.0=28, 1.8/601=15...(9) HG3 GLU 77 + H GLU 25 OK 52 95 - 55 - 1.8/601=11, 1643/3.0=8...(16) HG3 MET 21 + H GLU 25 OK 17 96 - 17 - 4.0/1038=6, 4491/4.6=3...(5) HB3 ASP 43 - H GLU 25 lone 4 99 - 4 - Peak 603 from nnoeabs.peaks (7.27, 7.27, 116.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 26 + H LYS 26 OK 100 100 - 100 Peak 604 from nnoeabs.peaks (4.10, 7.27, 116.25 ppm; 3.34 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 26 + H LYS 26 OK 100 100 - 100 - 3.0=100 HA LYS 14 - H LYS 26 OK 21 100 - 21 - 4.0/1708=4, 1679/4.0=3...(8) HB THR 83 - H LYS 26 OK 13 81 - 16 - 2.1/608=2, 1679/4.0=2...(9) HA LYS 91 - H LYS 26 OK 12 100 - 12 - 1679/4.0=2, 1689/4.0=2, 97/4.6=1 HB2 SER 62 - H LYS 26 poor 10 92 - 10 - 5390/4.0=2, 1.8/91=1, 1679/4.0=1 HA3 GLY 61 - H LYS 26 lone 3 63 - 4 - Peak 605 from nnoeabs.peaks (1.31, 7.27, 116.25 ppm; 3.54 A): 1 out of 8 assignments used, quality = 0.94: * HB2 LYS 26 + H LYS 26 OK 94 100 - 94 - 4.0=69, 1.8/1688=31...(14) HB3 LYS 68 - H LYS 26 OK 28 90 - 31 - 1670/3.0=4, 1690/4.0=4...(15) HD3 LYS 44 - H LYS 26 OK 17 87 - 19 - 1670/3.0=3, 1690/4.0=3...(8) HB VAL 50 - H LYS 26 OK 14 90 - 15 - 1670/3.0=2, 1690/4.0=2...(7) HG3 LYS 31 - H LYS 26 OK 13 98 - 13 - 98/4.6=4, 1670/3.0=2...(4) HG3 ARG 45 - H LYS 26 lone 9 98 - 9 - 1670/3.0=2, 1690/4.0=2 QB ALA 60 - H LYS 26 lone 8 100 - 8 - 1670/3.0=1, 1690/4.0=1 HG3 LYS 56 - H LYS 26 lone 5 60 - 8 - Peak 606 from nnoeabs.peaks (1.52, 7.27, 116.25 ppm; 3.24 A): 3 out of 16 assignments used, quality = 0.92: * HB3 LYS 26 + H LYS 26 OK 86 100 - 86 - 4.0=53, 4.3/96=18...(17) HG3 ARG 27 + H LYS 26 OK 28 100 - 29 - 4.9/96=14, 4.1/4518=4...(6) QB ALA 71 + H LYS 26 OK 21 100 - 21 - 2.1/91=4, 2.9/964=3...(9) HG LEU 30 - H LYS 26 OK 19 78 - 24 - 2.1/607=4, 2.1/609=3...(10) HG LEU 34 - H LYS 26 OK 15 100 - 15 - 2.1/608=3, 1671/3.0=1...(6) QB ALA 72 - H LYS 26 OK 14 71 - 20 - 4.5/6156=4, 2.1/91=4...(6) HB2 LEU 85 - H LYS 26 OK 13 100 - 13 - 3.1/610=2, 1671/3.0=2...(4) HB3 LEU 87 - H LYS 26 OK 12 93 - 13 - 3.1/609=2, 3.1/610=2...(4) HB3 LYS 44 - H LYS 26 poor 10 76 - 13 - 2.9/1708=2, 3.7/605=2...(5) HB2 LYS 56 - H LYS 26 lone 8 89 - 8 - HD2 LYS 56 - H LYS 26 lone 6 93 - 7 - HB2 ARG 45 - H LYS 26 lone 5 98 - 5 - 2.9/605=1 HD3 LYS 17 - H LYS 26 lone 4 98 - 4 - HD2 LYS 17 - H LYS 26 lone 4 98 - 4 - HG2 GLU 37 - H LYS 26 lone 4 90 - 4 - HD3 LYS 64 - H LYS 26 lone 4 99 - 4 - Peak 607 from nnoeabs.peaks (0.75, 7.27, 116.25 ppm; 3.36 A): 6 out of 7 assignments used, quality = 0.95: * HG2 LYS 26 + H LYS 26 OK 85 100 - 85 - 4.9=32, 2.9/1688=22...(20) QG1 VAL 20 + H LYS 26 OK 26 100 - 26 - 4414/4488=6, 4397/4.0=4...(10) QD1 LEU 30 + H LYS 26 OK 26 78 - 33 - 1672/3.0=4, 2.1/609=3...(13) QD1 LEU 73 + H LYS 26 OK 18 63 - 29 - 3.9/6156=5, 1698=4...(12) QG2 VAL 20 + H LYS 26 OK 14 87 - 16 - 1672/3.0=2, 1692/4.0=2...(6) QD1 LEU 12 + H LYS 26 OK 11 100 - 11 - 1672/3.0=1, 1692/4.0=1...(4) QD1 LEU 79 - H LYS 26 lone 10 97 - 10 - 1682/4.0=1, 1692/4.0=1 Peak 608 from nnoeabs.peaks (1.21, 7.27, 116.25 ppm; 3.37 A): 4 out of 8 assignments used, quality = 0.93: * HG3 LYS 26 + H LYS 26 OK 85 100 - 85 - 4.9=32, 1.8/1698=23...(18) HG2 LYS 14 + H LYS 26 OK 27 100 - 27 - 1708=8, 1673/3.0=3...(10) HD2 LYS 68 + H LYS 26 OK 24 83 - 29 - 3.0/94=4, 3.0/92=3...(13) HD3 LYS 68 + H LYS 26 OK 23 81 - 29 - 3.0/94=4, 3.0/92=3...(13) QD1 LEU 34 - H LYS 26 OK 18 97 - 19 - 1673/3.0=2, 2.1/606=2...(9) QG2 THR 83 - H LYS 26 OK 13 99 - 13 - 3520/3.0=3, 2.1/604=3...(4) HG3 LYS 44 - H LYS 26 OK 11 63 - 18 - 1708=3, 3.0/605=2...(7) HG13 ILE 35 - H LYS 26 lone 3 73 - 4 - Peak 609 from nnoeabs.peaks (0.85, 7.27, 116.25 ppm; 3.98 A): 2 out of 9 assignments used, quality = 0.95: * HD2 LYS 26 + H LYS 26 OK 93 100 - 93 - 5.8=33, 3.6/1688=26...(23) QD2 LEU 73 + H LYS 26 OK 33 97 - 34 - 3.9/6156=7, 2.1/1698=5...(13) QD2 LEU 30 - H LYS 26 OK 33 85 - 39 - 2.1/607=6, 1674/3.0=5...(13) QB ALA 75 - H LYS 26 OK 31 85 - 37 - 2.9/90=9, 3212/4.6=5...(12) QD2 LEU 87 - H LYS 26 OK 24 99 - 25 - 1674/3.0=4, 2.1/610=3...(10) QD2 LEU 85 - H LYS 26 OK 21 95 - 22 - 1674/3.0=3, 2.1/610=3...(10) QG2 VAL 47 - H LYS 26 OK 17 98 - 17 - 4840/4.9=4, 4835/4.0=3...(6) QG1 VAL 47 - H LYS 26 lone 6 63 - 10 - 4840/4.9=2, ~1674=1...(5) QG2 ILE 35 - H LYS 26 lone 4 68 - 6 - Peak 610 from nnoeabs.peaks (0.90, 7.27, 116.25 ppm; 3.90 A): 2 out of 8 assignments used, quality = 0.95: * HD3 LYS 26 + H LYS 26 OK 92 100 - 92 - 5.8=31, 3.6/1688=25...(23) QD2 LEU 23 + H LYS 26 OK 43 92 - 47 - 3.9/6156=16, 5.0/4488=16...(12) HB3 LEU 30 - H LYS 26 OK 41 100 - 41 - 1675/3.0=6, 3.1/607=4...(16) QD1 LEU 87 - H LYS 26 OK 25 100 - 25 - 1675/3.0=4, 2.1/609=3...(11) QD1 LEU 76 - H LYS 26 OK 25 89 - 29 - 4.0/4526=6, 6115/4.9=3...(12) QD1 LEU 85 - H LYS 26 OK 23 99 - 23 - 1675/3.0=4, 2.1/609=3...(10) QD2 LEU 30 - H LYS 26 OK 17 60 - 29 - 2.1/607=6, 2.1/606=3...(11) QB ALA 75 - H LYS 26 OK 17 60 - 28 - 2.9/90=9, 5.0/4526=4...(6) Peak 611 from nnoeabs.peaks (2.52, 7.27, 116.25 ppm; 5.31 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 26 + H LYS 26 OK 98 100 - 98 - 6.9=46, 3.0/1718=36...(19) HE3 LYS 26 + H LYS 26 OK 98 100 - 98 - 6.9=46, 3.0/1718=36...(19) HB2 TYR 32 - H LYS 26 OK 31 100 - 31 - 1676/3.0=5, 1686/4.0=5...(7) HG2 MET 48 - H LYS 26 OK 28 93 - 30 - 1697/4.0=4, 1687/4.0=4...(8) Peak 612 from nnoeabs.peaks (2.52, 7.27, 116.25 ppm; 5.31 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 26 + H LYS 26 OK 98 100 - 98 - 6.9=46, 3.0/1718=36...(19) HE2 LYS 26 + H LYS 26 OK 98 100 - 98 - 6.9=46, 3.0/1718=36...(19) HB2 TYR 32 - H LYS 26 OK 31 100 - 31 - 1676/3.0=5, 1686/4.0=5...(7) HG2 MET 48 - H LYS 26 OK 29 97 - 30 - 1697/4.0=4, 1687/4.0=4...(8) Peak 613 from nnoeabs.peaks (8.16, 8.16, 120.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 27 + H ARG 27 OK 100 100 - 100 Peak 614 from nnoeabs.peaks (4.62, 8.16, 120.88 ppm; 3.23 A): 1 out of 10 assignments used, quality = 1.00: * HA ARG 27 + H ARG 27 OK 100 100 - 100 - 3.0=100 HA LYS 31 - H ARG 27 OK 29 83 - 35 - 3.7/98=4, 3.7/617=4...(17) HA ASN 24 - H ARG 27 OK 20 97 - 20 - 3.6/4487=11, 4518/4.6=4 HA THR 38 - H ARG 27 OK 12 100 - 12 - 1767/4.0=2, 1775/4.0=1...(5) HA HIS 42 - H ARG 27 poor 10 92 - 11 - 2220/5.9=1, 1767/4.0=1 HA LEU 12 - H ARG 27 lone 6 97 - 6 - 4.0/100=1 HA GLU 33 - H ARG 27 lone 5 92 - 5 - HA ASN 63 - H ARG 27 lone 5 100 - 5 - HA ASP 43 - H ARG 27 lone 5 96 - 5 - HA ASP 82 - H ARG 27 lone 4 100 - 3 - Peak 615 from nnoeabs.peaks (1.77, 8.16, 120.88 ppm; 3.47 A): 3 out of 14 assignments used, quality = 0.95: * HB2 ARG 27 + H ARG 27 OK 85 100 - 85 - 4.0=64, 2.9/1790=14...(13) HB2 LYS 31 + H ARG 27 OK 46 97 - 48 - 1929/3.0=6, 3.0/98=6...(19) HB3 ARG 28 + H ARG 27 OK 35 98 - 35 - 4.0/106=13, 3.0/4556=10...(11) HB2 ARG 28 - H ARG 27 OK 34 97 - 35 - 4.0/106=13, 3.0/4556=10...(11) QB ALA 74 - H ARG 27 OK 21 100 - 21 - 5733/4.6=3, 4073/4487=2...(9) HB2 LEU 73 - H ARG 27 OK 16 78 - 20 - 3.1/102=2, 5700/4.6=2...(8) HD3 LYS 78 - H ARG 27 OK 12 99 - 13 - 3351/4.0=3, 1760/3.0=2...(4) HB2 LYS 91 - H ARG 27 poor 9 89 - 11 - 3.0/97=2, 1.8/616=1, 3708/3.6=1 HB2 MET 48 - H ARG 27 lone 8 87 - 9 - QE MET 11 - H ARG 27 lone 7 99 - 7 - 4252/4.6=1 HG3 GLU 37 - H ARG 27 lone 6 96 - 6 - HB3 MET 48 - H ARG 27 lone 5 73 - 7 - 4898/4.3=1 HB2 LYS 65 - H ARG 27 lone 5 96 - 5 - HB3 GLN 55 - H ARG 27 lone 4 68 - 6 - 3.0/4556=2 Peak 616 from nnoeabs.peaks (1.70, 8.16, 120.88 ppm; 3.64 A): 3 out of 11 assignments used, quality = 0.97: * HB3 ARG 27 + H ARG 27 OK 90 100 - 90 - 4.0=74, 2.9/1790=16...(12) HB3 LYS 31 + H ARG 27 OK 48 100 - 48 - 3.0/98=7, 3.0/617=6...(16) HB2 LEU 30 + H ARG 27 OK 38 99 - 39 - 1.8/103=7, 3.1/100=6...(13) HD3 LYS 31 - H ARG 27 OK 26 71 - 37 - 3.0/98=7, 3.0/617=6...(15) HD2 LYS 31 - H ARG 27 OK 24 65 - 36 - 3.0/98=7, 3.0/617=6...(14) HG2 LYS 78 - H ARG 27 OK 14 100 - 14 - 3324/4.0=3, 1761/3.0=2...(5) HB3 LEU 73 - H ARG 27 OK 14 65 - 21 - 3.1/102=3, 5703/4.6=3...(8) HB3 LYS 91 - H ARG 27 OK 11 97 - 11 - 3.0/97=2, 3718/3.6=1...(4) HB3 GLU 51 - H ARG 27 lone 9 92 - 10 - 5088/4.6=3 HB3 LYS 17 - H ARG 27 lone 5 78 - 7 - HB2 LYS 17 - H ARG 27 lone 5 76 - 6 - Peak 617 from nnoeabs.peaks (1.42, 8.16, 120.88 ppm; 4.02 A): 2 out of 7 assignments used, quality = 0.94: * HG2 ARG 27 + H ARG 27 OK 86 100 - 86 - 4.9=55, 1.8/1790=23...(14) HG2 LYS 31 + H ARG 27 OK 58 97 - 60 - 1.8/98=10, 1949/3.0=7...(22) HB3 LEU 34 - H ARG 27 OK 29 100 - 29 - 4668/3.0=4, 3.1/101=4...(12) HD2 LYS 44 - H ARG 27 OK 25 100 - 25 - 1.8/98=3, 2303/4.3=3...(11) HD3 LYS 56 - H ARG 27 OK 13 71 - 19 - 1770/4.0=2, 1778/4.0=2...(10) HB3 LYS 64 - H ARG 27 lone 6 76 - 7 - HG2 LYS 65 - H ARG 27 lone 4 63 - 6 - Peak 618 from nnoeabs.peaks (1.52, 8.16, 120.88 ppm; 3.22 A): 3 out of 16 assignments used, quality = 0.93: HB3 LYS 26 + H ARG 27 OK 72 100 - 72 - 4.3=42, 4.0/96=20...(11) * HG3 ARG 27 + H ARG 27 OK 64 100 - 64 - 4.9=29, 1.8/617=9...(14) QB ALA 71 + H ARG 27 OK 32 100 - 32 - 2.1/4555=5, 3.7/965=4...(14) HG LEU 30 - H ARG 27 OK 25 78 - 32 - 2.1/100=6, 2.1/102=4...(14) HG LEU 34 - H ARG 27 OK 19 100 - 19 - 2.1/101=3, 3.0/617=2...(7) QB ALA 72 - H ARG 27 OK 17 71 - 24 - 2.9/965=5, 2.1/4555=4...(7) HD2 LYS 56 - H ARG 27 OK 12 93 - 13 - 1.8/617=1, 1779/4.0=1 HB2 LYS 56 - H ARG 27 OK 12 89 - 13 - 3.4/617=1, 1779/4.0=1 HB3 LEU 87 - H ARG 27 poor 10 93 - 10 - 3.1/103=2, 3.1/102=1...(4) HB2 LEU 85 - H ARG 27 lone 9 100 - 9 - 3.1/103=1, 1671/3.6=1...(4) HB3 LYS 44 - H ARG 27 poor 9 76 - 12 - 3.7/617=2, 3.7/98=1...(5) HD3 LYS 17 - H ARG 27 lone 7 98 - 7 - HD2 LYS 17 - H ARG 27 lone 7 98 - 7 - HG2 GLU 37 - H ARG 27 lone 5 90 - 5 - HD3 LYS 64 - H ARG 27 lone 5 99 - 5 - HB2 ARG 45 - H ARG 27 lone 4 98 - 4 - Peak 619 from nnoeabs.peaks (3.18, 8.16, 120.88 ppm; 5.26 A): 1 out of 7 assignments used, quality = 0.96: * HD2 ARG 27 + H ARG 27 OK 96 100 - 96 - 5.9=70, 3.0/1790=30...(18) HD2 ARG 28 - H ARG 27 OK 45 76 - 59 - 5.9/106=18, 4.7/4556=16...(13) HD3 ARG 28 - H ARG 27 OK 43 73 - 59 - 5.9/106=18, 4.7/4556=16...(14) HB2 PHE 80 - H ARG 27 OK 33 99 - 33 - 1788/4.9=5, 1764/3.0=5...(8) HB2 PHE 57 - H ARG 27 OK 28 85 - 33 - 5253/4.0=5, 1780/4.0=4...(11) HB3 HIS 42 - H ARG 27 OK 24 87 - 28 - 2226/3.0=5, 1780/4.0=3...(10) HD3 PRO 81 - H ARG 27 poor 9 63 - 14 - 627/4.6=3, 3.6/4556=2...(4) Peak 620 from nnoeabs.peaks (3.59, 8.16, 120.88 ppm; 4.93 A): 2 out of 3 assignments used, quality = 0.96: * HD3 ARG 27 + H ARG 27 OK 93 100 - 93 - 5.9=58, 3.0/1790=27...(16) HB3 SER 36 + H ARG 27 OK 39 92 - 42 - 1765/3.0=10, 1773/4.0=7...(8) HA VAL 66 - H ARG 27 OK 28 73 - 38 - 1765/3.0=8, 1773/4.0=6...(8) Peak 621 from nnoeabs.peaks (8.35, 8.35, 122.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 28 + H ARG 28 OK 100 100 - 100 Peak 622 from nnoeabs.peaks (4.41, 8.35, 122.42 ppm; 3.15 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 28 + H ARG 28 OK 100 100 - 100 - 3.0=100 HA TYR 70 + H ARG 28 OK 49 98 - 50 - 4203=9, 3.6/1003=5...(23) HA PRO 81 - H ARG 28 OK 14 99 - 14 - 3.6/627=2, 115/4.7=2...(5) HA GLN 55 - H ARG 28 OK 12 97 - 12 - 2572/4.0=1 Peak 623 from nnoeabs.peaks (1.79, 8.35, 122.42 ppm; 2.84 A): 3 out of 17 assignments used, quality = 0.93: HB2 ARG 27 + H ARG 28 OK 62 97 - 64 - 4.2=31, 3.0/107=14...(9) * HB2 ARG 28 + H ARG 28 OK 61 100 - 61 - 4.0=36, 1.8/1830=7...(14) HB3 ARG 28 + H ARG 28 OK 51 83 - 61 - 4.0=36, 1.8/1822=7...(14) HB2 LYS 31 - H ARG 28 OK 24 100 - 24 - 1.8/109=4, 1929/3.6=4...(8) QB ALA 74 - H ARG 28 OK 20 97 - 20 - 2.9/1079=4, 5733=2...(6) HB2 LYS 91 - H ARG 28 lone 8 99 - 8 - 1.8/109=1 HD3 LYS 78 - H ARG 28 lone 8 100 - 8 - 3351/4.2=2 HB2 MET 48 - H ARG 28 lone 6 99 - 6 - QE MET 11 - H ARG 28 lone 5 87 - 6 - HG3 GLU 37 - H ARG 28 lone 4 100 - 4 - HG2 GLU 51 - H ARG 28 lone 4 81 - 5 - 3.0/5088=2 HG3 GLU 51 - H ARG 28 lone 4 78 - 5 - 3.0/5088=2 HB2 LYS 65 - H ARG 28 lone 3 100 - 3 - HG LEU 76 - H ARG 28 lone 3 81 - 4 - 2.1/4557=1 HB2 LYS 44 - H ARG 28 lone 2 63 - 3 - HB3 GLU 33 - H ARG 28 lone 1 63 - 2 - HB2 GLU 37 - H ARG 28 lone 1 60 - 2 - Peak 624 from nnoeabs.peaks (1.77, 8.35, 122.42 ppm; 2.74 A): 4 out of 14 assignments used, quality = 0.94: HB2 ARG 27 + H ARG 28 OK 59 98 - 60 - 4.2=28, 3.0/107=13...(9) * HB3 ARG 28 + H ARG 28 OK 58 100 - 58 - 4.0=32, 1.8/1822=6...(14) HB2 ARG 28 + H ARG 28 OK 47 83 - 57 - 4.0=32, 1.8/1830=6...(13) HB2 LEU 73 + H ARG 28 OK 32 95 - 34 - 4206/3.0=5, 1.8/625=5...(12) QB ALA 74 - H ARG 28 OK 19 98 - 19 - 2.9/1079=3, 5733=2...(6) HB2 LYS 31 - H ARG 28 OK 17 83 - 21 - 1.8/109=3, 3.0/107=3...(8) HB3 GLN 55 - H ARG 28 lone 7 89 - 8 - 2586/3.0=2, 3.0/622=1 QE MET 11 - H ARG 28 lone 6 100 - 6 - HD3 LYS 78 - H ARG 28 lone 6 89 - 7 - 3351/4.2=1 HB3 MET 48 - H ARG 28 lone 5 92 - 6 - HB2 LYS 91 - H ARG 28 lone 5 68 - 7 - 1.8/109=1 HB2 MET 48 - H ARG 28 lone 3 65 - 5 - HG3 GLU 37 - H ARG 28 lone 3 81 - 3 - HB2 LYS 65 - H ARG 28 lone 2 81 - 3 - Peak 625 from nnoeabs.peaks (1.66, 8.35, 122.42 ppm; 3.01 A): 5 out of 11 assignments used, quality = 0.94: HG3 ARG 28 + H ARG 28 OK 66 100 - 66 - 4.6=28, 3.0/628=9...(16) * HG2 ARG 28 + H ARG 28 OK 66 100 - 66 - 4.6=28, 3.0/628=9...(16) HB3 LEU 73 + H ARG 28 OK 36 97 - 38 - 4208/3.0=6, 3.9/966=5...(13) HD2 LYS 31 + H ARG 28 OK 12 97 - 12 - 3.0/110=2, 3.6/623=2...(5) HD3 LYS 31 + H ARG 28 OK 12 95 - 13 - 3.0/110=2, 3.6/623=2...(5) HB3 GLU 51 - H ARG 28 lone 6 76 - 8 - 5089/4.7=2, 5088=2 HB3 LYS 91 - H ARG 28 lone 5 65 - 7 - 1.8/623=1 HD2 LYS 91 - H ARG 28 lone 3 76 - 4 - HD3 LYS 91 - H ARG 28 lone 3 73 - 4 - HB3 LYS 14 - H ARG 28 lone 1 93 - 1 - HB2 LYS 14 - H ARG 28 lone 1 93 - 1 - Peak 626 from nnoeabs.peaks (1.66, 8.35, 122.42 ppm; 3.01 A): 3 out of 12 assignments used, quality = 0.93: * HG3 ARG 28 + H ARG 28 OK 66 100 - 66 - 4.6=28, 3.0/628=9...(16) HG2 ARG 28 + H ARG 28 OK 66 100 - 66 - 4.6=28, 3.0/628=9...(16) HB3 LEU 73 + H ARG 28 OK 37 98 - 38 - 4208/3.0=6, 3.9/966=5...(13) HD2 LYS 31 - H ARG 28 OK 13 98 - 13 - 3.0/110=2, 3.6/623=2...(5) HD3 LYS 31 - H ARG 28 OK 12 97 - 13 - 3.0/110=2, 3.6/623=2...(5) HB2 LEU 30 - H ARG 28 OK 11 60 - 18 - 1.8/4557=4, 3.1/4558=3...(4) HB3 GLU 51 - H ARG 28 lone 7 81 - 9 - 5089/4.7=2, 5088=2 HB3 LYS 91 - H ARG 28 lone 5 71 - 7 - 1.8/623=1 HD2 LYS 91 - H ARG 28 lone 3 71 - 4 - HD3 LYS 91 - H ARG 28 lone 3 68 - 4 - HB2 LYS 14 - H ARG 28 lone 1 90 - 1 - HB3 LYS 14 - H ARG 28 lone 1 90 - 1 - Peak 627 from nnoeabs.peaks (3.16, 8.35, 122.42 ppm; 4.11 A): 3 out of 5 assignments used, quality = 0.95: * HD2 ARG 28 + H ARG 28 OK 84 100 - 84 - 5.9=35, 1855/3.0=14...(22) HD2 ARG 27 + H ARG 28 OK 53 76 - 70 - 1.8/113=24, 3.5/109=14...(16) HD3 PRO 81 + H ARG 28 OK 34 100 - 34 - 3456/3.0=7, ~3449=4...(13) HB2 PHE 57 - H ARG 28 OK 28 100 - 28 - 5253/4.2=3, 1820/3.0=3...(13) HB2 PHE 80 - H ARG 28 OK 18 89 - 20 - 1820/3.0=2, 1788/5.0=2...(8) Peak 628 from nnoeabs.peaks (3.21, 8.35, 122.42 ppm; 4.01 A): 3 out of 3 assignments used, quality = 0.93: * HD3 ARG 28 + H ARG 28 OK 82 100 - 82 - 5.9=32, 1821/3.0=18...(21) HD2 ARG 27 + H ARG 28 OK 52 73 - 70 - 1.8/113=23, 3.5/109=13...(16) HB3 HIS 42 + H ARG 28 OK 20 99 - 20 - 2226/3.6=4, 1821/3.0=3...(10) Peak 629 from nnoeabs.peaks (8.59, 8.59, 108.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 29 + H GLY 29 OK 100 100 - 100 Peak 630 from nnoeabs.peaks (3.83, 8.59, 108.95 ppm; 3.07 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 29 + H GLY 29 OK 100 100 - 100 - 3.0=100 HD2 PRO 84 - H GLY 29 lone 6 92 - 6 - 4559/3.6=1, 1874/3.0=1 Peak 631 from nnoeabs.peaks (3.87, 8.59, 108.95 ppm; 3.12 A): 1 out of 4 assignments used, quality = 1.00: * HA3 GLY 29 + H GLY 29 OK 100 100 - 100 - 3.0=100 HA ALA 69 - H GLY 29 OK 19 100 - 19 - 4202=5, 3.6/114=3...(9) HA GLU 77 - H GLY 29 lone 8 100 - 8 - 6049/3.6=2 HA GLU 22 - H GLY 29 lone 4 85 - 4 - Peak 632 from nnoeabs.peaks (8.11, 8.11, 119.36 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LEU 30 + H LEU 30 OK 100 100 - 100 H MET 11 + H MET 11 OK 56 56 - 100 Peak 633 from nnoeabs.peaks (4.22, 8.11, 119.36 ppm; 3.46 A): 1 out of 10 assignments used, quality = 1.00: * HA LEU 30 + H LEU 30 OK 100 100 - 100 - 2.9=100 HA LEU 87 - H LEU 30 OK 31 87 - 35 - 1876=5, 3.0/636=4...(13) HA ASP 53 - H LEU 30 OK 30 96 - 32 - 1876=4, 1891/4.0=4...(15) HA LEU 30 - H MET 11 OK 11 60 - 18 - 1876=3, 3.7/1897=3...(7) HA ALA 89 - H LEU 30 OK 11 65 - 16 - 3673=3, 2.1/3676=3...(10) HA3 GLY 40 - H LEU 30 lone 3 87 - 3 - HA LEU 87 - H MET 11 lone 2 46 - 4 - HA ASP 53 - H MET 11 lone 1 54 - 3 - HA ALA 89 - H MET 11 lone 1 32 - 4 - HA3 GLY 40 - H MET 11 lone 0 46 - 1 - Peak 634 from nnoeabs.peaks (1.69, 8.11, 119.36 ppm; 3.12 A): 6 out of 22 assignments used, quality = 0.91: * HB2 LEU 30 + H LEU 30 OK 74 100 - 74 - 4.0=46, 1.8/635=12...(15) HB3 LYS 31 + H LEU 30 OK 27 98 - 28 - 3.9/968=8, 4600/2.9=8...(7) HB3 LEU 73 + H LEU 30 OK 21 83 - 26 - 3.9/122=5, 3175/4.6=4...(10) HB3 ARG 27 + H LEU 30 OK 20 99 - 20 - 4544/4.8=4, 4545/4.0=4...(7) HB3 GLU 51 + H LEU 30 OK 12 99 - 13 - 5089/4.6=3, 5068/4579=3 HG3 ARG 28 + H LEU 30 OK 11 60 - 19 - 4.9/122=6, 3.8/4568=6...(4) HD3 LYS 31 - H LEU 30 poor 10 87 - 11 - 5.8/968=5, 1878/2.9=1 HB2 LEU 30 - H MET 11 poor 9 60 - 15 - 1883=3, 3.0/1897=3...(7) HD2 LYS 31 - H LEU 30 poor 9 83 - 11 - 5.8/968=5, 1878/2.9=1 HG2 LYS 78 - H LEU 30 lone 8 97 - 8 - 5814/4.8=2, 1892/4.0=1...(4) HB3 LEU 73 - H MET 11 lone 2 43 - 5 - HB3 LYS 91 - H LEU 30 lone 2 100 - 2 - HG2 LYS 78 - H MET 11 lone 2 55 - 4 - HB3 LYS 31 - H MET 11 lone 2 56 - 4 - 3.9/125=2 HB3 LYS 17 - H LEU 30 lone 2 60 - 3 - HB3 ARG 27 - H MET 11 lone 1 58 - 2 - HD3 LYS 31 - H MET 11 lone 1 46 - 2 - HD2 LYS 31 - H MET 11 lone 1 43 - 2 - HG3 ARG 28 - H MET 11 lone 1 29 - 3 - HB3 GLU 51 - H MET 11 lone 1 57 - 1 - HB3 LYS 91 - H MET 11 lone 0 59 - 1 - HB3 LYS 17 - H MET 11 lone 0 29 - 1 - Peak 635 from nnoeabs.peaks (0.90, 8.11, 119.36 ppm; 3.16 A): 5 out of 16 assignments used, quality = 0.92: * HB3 LEU 30 + H LEU 30 OK 77 100 - 77 - 4.0=47, 1.8/634=12...(15) QD2 LEU 30 + H LEU 30 OK 39 60 - 65 - 4.8=29, 2.1/1897=13...(15) QD1 LEU 87 + H LEU 30 OK 21 100 - 22 - 3.1/636=3, 4.1/633=3...(8) HD3 LYS 26 + H LEU 30 OK 17 100 - 18 - 1886/4.0=2, 1732/4.8=2...(8) QD2 LEU 23 + H LEU 30 OK 17 92 - 19 - 4480/4579=5, 2.1/637=3...(8) HB3 LEU 30 - H MET 11 poor 10 60 - 16 - 1.8/1883=3, 3.0/1897=3...(7) QD1 LEU 85 - H LEU 30 lone 9 99 - 9 - 1886/4.0=1 QB ALA 75 - H LEU 30 lone 5 60 - 9 - 6109/4579=3, 4576/4.6=1 QD1 LEU 76 - H LEU 30 lone 5 89 - 6 - QD2 LEU 30 - H MET 11 poor 4 29 - 15 - 2.1/1897=3, 2.1/1904=3...(7) QD1 LEU 87 - H MET 11 lone 1 59 - 2 - HD3 LYS 26 - H MET 11 lone 1 60 - 2 - QD2 LEU 23 - H MET 11 lone 1 50 - 2 - QD1 LEU 85 - H MET 11 lone 1 57 - 1 - QD1 LEU 76 - H MET 11 lone 0 47 - 1 - QB ALA 75 - H MET 11 lone 0 29 - 1 - Peak 636 from nnoeabs.peaks (1.54, 8.11, 119.36 ppm; 2.99 A): 5 out of 20 assignments used, quality = 0.80: * HG LEU 30 + H LEU 30 OK 58 100 - 58 - 5.1=21, 2.1/1911=10...(13) QB ALA 71 + H LEU 30 OK 24 83 - 29 - 3152=6, 2.1/3149=4...(10) HB3 LEU 87 + H LEU 30 OK 22 99 - 22 - 3.0/633=3, 1887/4.0=2...(9) HG3 ARG 27 + H LEU 30 OK 11 78 - 15 - 2.9/634=2, 1887/4.0=2...(7) HB3 LYS 26 + H LEU 30 OK 10 78 - 13 - 2.9/637=2, 1695/4.0=2...(7) HG LEU 30 - H MET 11 poor 9 60 - 14 - 1897=4, 2.1/1911=3...(6) HB2 LEU 85 - H LEU 30 lone 5 65 - 7 - HB3 LYS 44 - H MET 11 lone 4 60 - 6 - 2267/3.0=2, 3.0/1117=1 HD2 LYS 56 - H LEU 30 lone 4 99 - 4 - HB3 LYS 44 - H LEU 30 lone 3 100 - 3 - 129/4.6=1 QB ALA 71 - H MET 11 lone 2 43 - 4 - HD3 LYS 64 - H LEU 30 lone 2 90 - 2 - HG LEU 34 - H LEU 30 lone 1 71 - 2 - HB3 LEU 87 - H MET 11 lone 1 57 - 2 - HG3 ARG 27 - H MET 11 lone 1 40 - 2 - HB3 LYS 26 - H MET 11 lone 1 40 - 1 - HD2 LYS 56 - H MET 11 lone 1 57 - 1 - HD3 LYS 64 - H MET 11 lone 0 49 - 1 - HB2 LEU 85 - H MET 11 lone 0 32 - 1 - HG LEU 34 - H MET 11 lone 0 35 - 1 - Peak 637 from nnoeabs.peaks (0.77, 8.11, 119.36 ppm; 3.54 A): 6 out of 14 assignments used, quality = 0.93: * QD1 LEU 30 + H LEU 30 OK 80 100 - 80 - 4.8=41, 2.1/1897=16...(16) QD1 LEU 73 + H LEU 30 OK 34 99 - 34 - 4.4/122=6, 3189/4.6=5...(10) QD1 LEU 23 + H LEU 30 OK 22 87 - 25 - 4481/4579=5, 1618/4.0=3...(8) HG2 LYS 26 + H LEU 30 OK 19 78 - 24 - 1895/4.0=3, 1888/4.0=3...(10) QD1 LEU 30 + H MET 11 OK 14 60 - 22 - 1904=4, 2.1/1897=4...(8) QD2 LEU 79 + H LEU 30 OK 10 92 - 11 - 5843/2.9=2, 1888/4.0=2...(5) QD1 LEU 12 - H MET 11 poor 8 37 - 22 - 4265/3.0=5, 526/4.6=3...(8) QD1 LEU 73 - H MET 11 lone 6 58 - 10 - 4243/6.2=3 QG1 VAL 20 - H LEU 30 lone 5 73 - 7 - 4408/4636=2 QD2 LEU 79 - H MET 11 lone 3 50 - 7 - 4101/4.6=3, 4243/6.2=2 QD1 LEU 12 - H LEU 30 lone 3 73 - 4 - 4.6/6=1 QD1 LEU 23 - H MET 11 lone 2 46 - 4 - 4243/6.2=1 HG2 LYS 26 - H MET 11 lone 1 40 - 3 - QG1 VAL 20 - H MET 11 lone 1 37 - 4 - 4415/4.6=2 Peak 638 from nnoeabs.peaks (0.87, 8.11, 119.36 ppm; 3.30 A): 8 out of 22 assignments used, quality = 0.94: * QD2 LEU 30 + H LEU 30 OK 73 100 - 74 - 4.8=33, 1912/2.9=15...(16) HB3 LEU 30 + H LEU 30 OK 48 60 - 80 - 4.0=54, 1.8/634=13...(15) QD1 LEU 87 + H LEU 30 OK 15 73 - 21 - 3.1/636=4, 4.1/633=3...(8) HD2 LYS 26 + H LEU 30 OK 15 85 - 18 - 1725/4.0=2, 3.0/637=2...(9) QD2 LEU 87 + H LEU 30 OK 15 71 - 21 - 3.1/636=4, 4.1/633=3...(7) QB ALA 75 + H LEU 30 OK 15 100 - 15 - 6109/4579=5, 4574/3.6=2...(5) QD2 LEU 73 + H LEU 30 OK 13 60 - 22 - 4.4/122=5, 2.1/637=5...(6) QD2 LEU 30 + H MET 11 OK 11 60 - 18 - 1911=4, 2.1/1897=4...(7) HD3 LYS 26 - H LEU 30 poor 8 60 - 14 - 3.0/637=2, 3.6/636=1...(5) QD1 LEU 85 - H LEU 30 lone 7 81 - 9 - QD1 LEU 76 - H LEU 30 lone 6 96 - 6 - HB3 LEU 30 - H MET 11 poor 5 29 - 16 - 1.8/1883=3, 3.0/1897=3...(7) QD2 LEU 73 - H MET 11 lone 1 29 - 4 - QB ALA 75 - H MET 11 lone 1 60 - 2 - HD2 LYS 26 - H MET 11 lone 1 45 - 2 - QG2 VAL 47 - H LEU 30 lone 1 63 - 1 - QD2 LEU 87 - H MET 11 lone 1 35 - 2 - QD1 LEU 87 - H MET 11 lone 1 37 - 2 - QD1 LEU 76 - H MET 11 lone 0 54 - 1 - HD3 LYS 26 - H MET 11 lone 0 29 - 1 - QD1 LEU 85 - H MET 11 lone 0 42 - 1 - QG2 VAL 47 - H MET 11 lone 0 31 - 1 - Peak 639 from nnoeabs.peaks (8.49, 8.49, 121.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 31 + H LYS 31 OK 100 100 - 100 Peak 640 from nnoeabs.peaks (4.60, 8.49, 121.74 ppm; 3.50 A): 1 out of 9 assignments used, quality = 1.00: * HA LYS 31 + H LYS 31 OK 100 100 - 100 - 3.0=100 HA THR 38 - H LYS 31 OK 38 92 - 42 - 2194=9, 3.2/2202=5...(17) HA ARG 27 - H LYS 31 OK 35 83 - 42 - 3.0/641=5, 1929/3.9=5...(18) HA LEU 12 - H LYS 31 lone 6 97 - 6 - HA HIS 10 - H LYS 31 lone 5 92 - 5 - 3.6/125=2 HA ASP 43 - H LYS 31 lone 5 99 - 5 - HA ASN 24 - H LYS 31 lone 4 57 - 7 - 1918=1 HA ASP 82 - H LYS 31 lone 4 83 - 5 - 3.6/6067=2 HA ASN 63 - H LYS 31 lone 2 71 - 3 - Peak 641 from nnoeabs.peaks (1.79, 8.49, 121.74 ppm; 3.32 A): 2 out of 17 assignments used, quality = 0.93: * HB2 LYS 31 + H LYS 31 OK 86 100 - 86 - 3.9=61, 1.8/1938=20...(16) HB2 ARG 27 + H LYS 31 OK 48 97 - 50 - 2.9/643=5, 1.8/642=5...(22) HG3 GLU 37 - H LYS 31 OK 19 100 - 19 - 3.8/3931=3, 3935=3...(7) HG2 GLU 51 - H LYS 31 OK 15 81 - 19 - 4.9/6067=9, 3.0/645=2 HG3 GLU 51 - H LYS 31 OK 15 78 - 19 - 4.9/6067=9, 3.0/645=2 HD3 LYS 78 - H LYS 31 OK 14 100 - 14 - 5816/5.0=3, 3351/3.9=2...(5) HB2 GLU 37 - H LYS 31 OK 11 60 - 18 - 3.0/3931=4, 3.0/3935=3...(6) HB2 LYS 91 - H LYS 31 OK 10 99 - 11 - 3710/3.9=2, 1920/3.0=1 HB2 LYS 44 - H LYS 31 OK 10 63 - 16 - 3.7/4802=6, 3.7/4801=4 HB2 MET 48 - H LYS 31 lone 8 99 - 8 - 134/4.7=2, 3935=1, 4907/4596=1 QB ALA 74 - H LYS 31 lone 8 97 - 8 - 5718/5.0=1, 4.5/131=1 HB2 ARG 28 - H LYS 31 lone 8 100 - 8 - HB3 ARG 28 - H LYS 31 lone 6 83 - 7 - QE MET 11 - H LYS 31 lone 5 87 - 6 - 4243/5.0=2 HG LEU 76 - H LYS 31 lone 5 81 - 6 - HB3 GLU 33 - H LYS 31 lone 4 63 - 6 - 134/4.7=1 HB2 LYS 65 - H LYS 31 lone 3 100 - 3 - Peak 642 from nnoeabs.peaks (1.70, 8.49, 121.74 ppm; 3.02 A): 3 out of 11 assignments used, quality = 0.95: * HB3 LYS 31 + H LYS 31 OK 75 100 - 75 - 3.9=46, 1.8/1928=18...(12) HB2 LEU 30 + H LYS 31 OK 69 98 - 70 - 4.6=28, 3.0/126=17...(14) HB3 ARG 27 + H LYS 31 OK 41 100 - 41 - 1.8/641=5, 2.9/643=4...(20) HD3 LYS 31 - H LYS 31 OK 38 65 - 58 - 5.8=14, 3.6/1928=11...(15) HD2 LYS 31 - H LYS 31 OK 35 60 - 58 - 5.8=14, 3.6/1928=11...(15) HB3 GLU 51 - H LYS 31 OK 18 89 - 20 - 3.9/6067=10, 5068/4602=2...(5) HG2 LYS 78 - H LYS 31 OK 11 100 - 11 - 5814/5.0=2, 3324/3.9=1 HB3 LYS 17 - H LYS 31 lone 8 83 - 9 - 1938=2, 1.8/1938=1 HB2 LYS 17 - H LYS 31 lone 7 81 - 8 - 1938=2, 1.8/1938=1 HB3 LYS 91 - H LYS 31 lone 6 95 - 7 - 3719/3.9=1, 1.8/641=1 HB3 LEU 73 - H LYS 31 lone 6 60 - 10 - 3.1/130=2, 3180/5.0=1...(5) Peak 643 from nnoeabs.peaks (1.41, 8.49, 121.74 ppm; 3.98 A): 2 out of 6 assignments used, quality = 0.96: * HG2 LYS 31 + H LYS 31 OK 90 100 - 90 - 4.6=64, 3.0/1928=22...(15) HG2 ARG 27 + H LYS 31 OK 57 97 - 59 - 1932/3.9=7, 1922/3.0=7...(22) HD2 LYS 44 - H LYS 31 OK 38 95 - 40 - 4802=10, 1.8/4801=8...(12) HD3 LYS 56 - H LYS 31 OK 17 92 - 18 - 1932/3.9=3, 1922/3.0=3...(7) HB3 LEU 34 - H LYS 31 OK 10 93 - 11 - 1922/3.0=1, 1932/3.9=1...(4) QB ALA 69 - H LYS 31 lone 4 76 - 6 - 5572/4.6=2 Peak 644 from nnoeabs.peaks (1.30, 8.49, 121.74 ppm; 4.11 A): 2 out of 9 assignments used, quality = 0.96: * HG3 LYS 31 + H LYS 31 OK 93 100 - 93 - 4.6=71, 3.0/1928=24...(14) HB VAL 50 + H LYS 31 OK 48 71 - 68 - 2.1/4602=38, 3.0/6125=18...(10) HD3 LYS 44 - H LYS 31 OK 41 98 - 42 - 1.8/4802=11, 4801=9...(12) HB2 LYS 26 - H LYS 31 OK 32 98 - 33 - 1685/4.6=4, 2.9/130=4...(13) HG3 ARG 45 - H LYS 31 OK 15 87 - 18 - 2.9/6180=4, 1933/3.9=2...(6) HG3 LYS 56 - H LYS 31 OK 15 83 - 18 - 3.0/643=2, 1933/3.9=2...(7) HB3 LYS 68 - H LYS 31 OK 11 99 - 11 - 137/4.7=3, 1923/3.0=1...(4) QB ALA 60 - H LYS 31 lone 8 97 - 8 - HG3 LYS 17 - H LYS 31 lone 6 60 - 9 - 2.9/1938=2, 2.9/1938=2 Peak 645 from nnoeabs.peaks (1.67, 8.49, 121.74 ppm; 3.02 A): 4 out of 12 assignments used, quality = 0.96: HD3 LYS 31 + H LYS 31 OK 59 100 - 59 - 5.8=14, 3.6/1928=11...(15) * HD2 LYS 31 + H LYS 31 OK 59 100 - 59 - 5.8=14, 3.6/1928=11...(15) HB2 LEU 30 + H LYS 31 OK 57 83 - 69 - 4.6=28, 3.0/126=17...(12) HB3 LYS 31 + H LYS 31 OK 44 60 - 73 - 3.9=46, 1.8/1928=18...(12) HB3 ARG 27 - H LYS 31 OK 23 65 - 36 - 1.8/641=5, 2.9/643=4...(19) HB3 GLU 51 - H LYS 31 OK 19 96 - 20 - 3.9/6067=10, 5068/4602=2...(5) HB3 LEU 73 - H LYS 31 OK 11 100 - 11 - 3.1/130=2, 3180/5.0=2 HG3 ARG 28 - H LYS 31 lone 6 98 - 7 - HB3 LYS 91 - H LYS 31 lone 6 90 - 6 - 3719/3.9=1, 1.8/641=1 HG2 ARG 28 - H LYS 31 lone 5 97 - 6 - HB3 LYS 14 - H LYS 31 lone 1 71 - 1 - HB2 LYS 14 - H LYS 31 lone 1 71 - 1 - Peak 646 from nnoeabs.peaks (1.67, 8.49, 121.74 ppm; 3.02 A): 4 out of 13 assignments used, quality = 0.97: HB2 LEU 30 + H LYS 31 OK 60 87 - 69 - 4.6=28, 3.0/126=17...(12) * HD3 LYS 31 + H LYS 31 OK 59 100 - 59 - 5.8=14, 3.6/1928=11...(15) HD2 LYS 31 + H LYS 31 OK 59 100 - 59 - 5.8=14, 3.6/1928=11...(15) HB3 LYS 31 + H LYS 31 OK 48 65 - 74 - 3.9=46, 1.8/1928=18...(12) HB3 ARG 27 - H LYS 31 OK 26 71 - 37 - 1.8/641=5, 2.9/643=4...(19) HB3 GLU 51 - H LYS 31 OK 20 97 - 20 - 3.9/6067=10, 5068/4602=2...(5) HB3 LEU 73 - H LYS 31 OK 11 100 - 11 - 3.1/130=2, 3180/5.0=2 HG3 ARG 28 - H LYS 31 lone 6 97 - 7 - HB3 LYS 91 - H LYS 31 lone 6 93 - 6 - 3719/3.9=1, 1.8/641=1 HG2 LYS 78 - H LYS 31 lone 6 63 - 9 - 5814/5.0=1, 2.9/641=1 HG2 ARG 28 - H LYS 31 lone 5 95 - 6 - HB3 LYS 14 - H LYS 31 lone 0 65 - 1 - HB2 LYS 14 - H LYS 31 lone 0 65 - 1 - Peak 649 from nnoeabs.peaks (8.68, 8.68, 124.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 32 + H TYR 32 OK 100 100 - 100 Peak 650 from nnoeabs.peaks (4.95, 8.68, 124.25 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 32 + H TYR 32 OK 100 100 - 100 - 3.0=100 HA LEU 34 - H TYR 32 poor 8 57 - 14 - 143/4.6=4, 4893/4921=2...(5) Peak 651 from nnoeabs.peaks (2.51, 8.68, 124.25 ppm; 3.55 A): 2 out of 4 assignments used, quality = 0.95: * HB2 TYR 32 + H TYR 32 OK 92 100 - 92 - 4.0=69, 1.8/2020=35...(9) HG2 MET 48 + H TYR 32 OK 37 90 - 41 - 3.3/4921=11, 2010/3.0=7...(9) HE2 LYS 26 - H TYR 32 OK 16 100 - 16 - 2010/3.0=3, 4540/4.4=3...(7) HE3 LYS 26 - H TYR 32 OK 16 100 - 16 - 2010/3.0=3, 4540/4.4=3...(7) Peak 652 from nnoeabs.peaks (2.86, 8.68, 124.25 ppm; 3.13 A): 2 out of 10 assignments used, quality = 0.81: * HB3 TYR 32 + H TYR 32 OK 79 100 - 79 - 4.0=48, 2.5/4596=27...(9) HE3 LYS 17 + H TYR 32 OK 10 100 - 10 - 2011/3.0=2, 4541/4.4=1 HE2 LYS 17 - H TYR 32 lone 10 97 - 10 - 2011/3.0=2, 4541/4.4=1 HB3 ASN 24 - H TYR 32 lone 7 100 - 7 - 2011/3.0=1, 3.0/3897=1 HB2 ASN 18 - H TYR 32 lone 6 100 - 6 - 2011/3.0=1 HB3 ASN 18 - H TYR 32 lone 6 100 - 6 - 2011/3.0=1 HB3 ASN 63 - H TYR 32 lone 5 99 - 5 - HE2 LYS 65 - H TYR 32 lone 2 71 - 2 - HE3 LYS 65 - H TYR 32 lone 1 60 - 2 - HB2 ASN 90 - H TYR 32 lone 1 73 - 1 - Peak 653 from nnoeabs.peaks (6.67, 8.68, 124.25 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.87: * QE TYR 32 + H TYR 32 OK 87 100 - 87 - 2.2/4596=44, 4600=42...(11) Peak 654 from nnoeabs.peaks (6.82, 8.68, 124.25 ppm; 2.97 A): 2 out of 3 assignments used, quality = 0.81: * QD TYR 32 + H TYR 32 OK 78 100 - 78 - 4596=38, 2.5/2020=21...(12) QE TYR 70 + H TYR 32 OK 12 87 - 13 - 2013/3.0=3, 2019/4.0=2...(6) HE21 GLN 55 - H TYR 32 lone 6 76 - 8 - 2013/3.0=2, 2019/4.0=1...(4) Peak 655 from nnoeabs.peaks (9.44, 9.44, 124.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + H GLU 33 OK 100 100 - 100 Peak 656 from nnoeabs.peaks (4.63, 9.44, 124.37 ppm; 3.49 A): 1 out of 11 assignments used, quality = 1.00: * HA GLU 33 + H GLU 33 OK 100 100 - 100 - 2.9=100 HA PHE 57 - H GLU 33 OK 18 83 - 22 - 2.9/971=5, 2045/4.1=3...(8) HA ASP 82 - H GLU 33 OK 16 92 - 17 - 2038=5, 3.6/4639=2...(4) HA LYS 56 - H GLU 33 poor 9 60 - 15 - 3.6/971=4, 149/4.6=2...(4) HA ASN 24 - H GLU 33 lone 9 100 - 9 - 3.0/145=2 HA ARG 27 - H GLU 33 lone 8 92 - 9 - 4603/4.6=2 HA ASN 63 - H GLU 33 lone 7 97 - 7 - 3.0/145=1 HA LEU 12 - H GLU 33 lone 7 71 - 9 - 4.0/4648=3 HA THR 38 - H GLU 33 lone 6 83 - 8 - 2045/4.1=1 HA HIS 42 - H GLU 33 lone 2 100 - 2 - HA ASP 43 - H GLU 33 lone 2 65 - 3 - Peak 657 from nnoeabs.peaks (1.94, 9.44, 124.37 ppm; 3.32 A): 3 out of 15 assignments used, quality = 0.97: * HB2 GLU 33 + H GLU 33 OK 84 100 - 84 - 4.1=55, 1.8/2050=20...(15) QE MET 48 + H GLU 33 OK 65 96 - 68 - 3962=13, 5.3/4644=9...(18) HG3 GLU 49 + H GLU 33 OK 41 90 - 46 - 1.8/2469=8, 3.0/2463=7...(12) HB VAL 47 - H GLU 33 OK 21 96 - 22 - 4.4/980=5, 2.1/4647=2...(7) HB2 GLU 77 - H GLU 33 OK 19 90 - 21 - 1.8/660=5, 3.0/659=4...(8) HB2 LEU 76 - H GLU 33 OK 15 100 - 15 - 3226/4.1=2, 3.0/658=1...(5) HB2 GLU 51 - H GLU 33 OK 14 71 - 19 - 3.9/4639=8, 5065/4649=3...(4) HB3 GLU 22 - H GLU 33 OK 13 100 - 13 - 3.0/660=2, 2052/4.1=1...(6) HB VAL 20 - H GLU 33 OK 11 100 - 11 - 4605/4.6=3, 4617/4.7=2 HB2 GLN 58 - H GLU 33 OK 11 87 - 13 - 2.9/5290=3, 2.9/5292=3, ~5286=1 HG3 PRO 84 - H GLU 33 lone 6 99 - 6 - HG2 PRO 19 - H GLU 33 lone 5 89 - 5 - HD2 LYS 78 - H GLU 33 lone 4 78 - 5 - HB3 PRO 81 - H GLU 33 lone 3 65 - 5 - 4.8/2038=1 HG3 PRO 81 - H GLU 33 lone 3 76 - 4 - Peak 658 from nnoeabs.peaks (1.81, 9.44, 124.37 ppm; 3.14 A): 7 out of 14 assignments used, quality = 0.93: * HB3 GLU 33 + H GLU 33 OK 75 100 - 75 - 4.1=46, 1.8/2044=18...(10) HB2 MET 48 + H GLU 33 OK 40 81 - 50 - 3.0/4644=14, 1.8/3959=7...(13) HB2 LYS 31 + H GLU 33 OK 17 63 - 27 - 4.1/142=11, 4597/4.6=4...(6) HG3 GLU 51 + H GLU 33 OK 16 99 - 16 - 4.9/4639=6, 2041/2.9=1...(6) HG2 GLU 51 + H GLU 33 OK 15 99 - 16 - 4.9/4639=6, 4611/3.6=1...(6) HB2 LYS 44 + H GLU 33 OK 11 100 - 11 - 2050=3, 2041/2.9=1, 2047/4.1=1 HG LEU 76 + H GLU 33 OK 11 99 - 11 - 2041/2.9=1, 2047/4.1=1 HB2 GLU 22 - H GLU 33 lone 6 63 - 9 - 3.0/660=2, 1.8/657=1 HG3 GLU 37 - H GLU 33 lone 5 65 - 8 - 2417/4644=1, 3958=1 HB2 GLU 37 - H GLU 33 lone 5 100 - 5 - 3.0/3958=1 HB2 LYS 65 - H GLU 33 lone 3 65 - 5 - HB2 LYS 91 - H GLU 33 lone 2 78 - 2 - HB VAL 66 - H GLU 33 lone 1 63 - 2 - HB2 ARG 28 - H GLU 33 lone 1 63 - 2 - Peak 659 from nnoeabs.peaks (2.22, 9.44, 124.37 ppm; 4.21 A): 2 out of 4 assignments used, quality = 0.95: * HG2 GLU 33 + H GLU 33 OK 92 100 - 92 - 5.1=57, 1.8/2062=27...(12) HE2 LYS 68 + H GLU 33 OK 41 99 - 42 - 5569/4.6=10, 5564/4.7=7...(10) HG2 GLU 77 - H GLU 33 OK 36 100 - 36 - 2048/4.1=7, 2054/4.1=6...(10) HG2 GLU 25 - H GLU 33 OK 11 100 - 11 - 2048/4.1=2, 2042/2.9=2...(5) Peak 660 from nnoeabs.peaks (2.06, 9.44, 124.37 ppm; 3.75 A): 3 out of 8 assignments used, quality = 0.90: * HG3 GLU 33 + H GLU 33 OK 83 100 - 83 - 5.1=40, 1.8/2056=21...(10) HB3 GLU 77 + H GLU 33 OK 28 99 - 28 - 2049/4.1=5, 2043/2.9=5...(9) HG2 GLU 22 + H GLU 33 OK 16 99 - 16 - 2049/4.1=3, 2043/2.9=3...(6) HB2 MET 21 - H GLU 33 lone 8 100 - 8 - 2049/4.1=2, 2043/2.9=1...(4) QE MET 21 - H GLU 33 lone 8 100 - 8 - 6155/4.6=1, 2043/2.9=1 HA ALA 75 - H GLU 33 lone 7 99 - 7 - 2043/2.9=1, 153/4.6=1...(4) HG3 GLN 55 - H GLU 33 lone 6 78 - 8 - 3.5/147=2, 5194/4.6=1 HB2 GLN 55 - H GLU 33 lone 5 76 - 7 - 4.5/147=2 Peak 661 from nnoeabs.peaks (8.79, 8.79, 126.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 34 + H LEU 34 OK 100 100 - 100 Peak 662 from nnoeabs.peaks (4.97, 8.79, 126.77 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 34 + H LEU 34 OK 100 100 - 100 - 3.0=100 Peak 663 from nnoeabs.peaks (2.00, 8.79, 126.77 ppm; 3.02 A): 4 out of 12 assignments used, quality = 0.83: * HB2 LEU 34 + H LEU 34 OK 66 100 - 66 - 4.0=42, 1.8/664=16...(10) HG2 GLU 49 + H LEU 34 OK 23 81 - 29 - 5.0/148=4, 4935=4...(11) HB3 GLU 49 + H LEU 34 OK 22 76 - 29 - 3.7/148=6, 3.0/4935=4...(11) HE3 LYS 68 + H LEU 34 OK 18 99 - 18 - 1.8/152=4, 3.0/667=2...(7) HB2 GLU 51 - H LEU 34 poor 9 65 - 15 - 3.0/5084=3, 3.0/151=2...(6) HB3 PRO 19 - H LEU 34 lone 9 97 - 9 - 2084/4.0=1, 2098/4.7=1 HB2 PRO 19 - H LEU 34 lone 8 92 - 9 - 2084/4.0=1, 2098/4.7=1 HG2 PRO 84 - H LEU 34 lone 8 100 - 8 - 156/4.6=2, 2070/3.0=1 HB2 LYS 78 - H LEU 34 lone 6 100 - 6 - HB2 GLU 25 - H LEU 34 lone 4 100 - 4 - 3.0/152=1 HB2 LEU 23 - H LEU 34 lone 2 81 - 3 - HB3 PRO 81 - H LEU 34 lone 2 71 - 3 - Peak 664 from nnoeabs.peaks (1.42, 8.79, 126.77 ppm; 3.14 A): 5 out of 7 assignments used, quality = 0.86: * HB3 LEU 34 + H LEU 34 OK 71 100 - 71 - 4.0=46, 1.8/2075=15...(12) HD3 LYS 56 + H LEU 34 OK 22 60 - 37 - 3.0/666=7, 3.4/3992=3...(18) HD2 LYS 44 + H LEU 34 OK 17 100 - 17 - 2071/3.0=3, 2078/4.0=2...(9) HG2 ARG 27 + H LEU 34 OK 15 100 - 15 - 2071/3.0=3, 2078/4.0=2...(7) HB3 LYS 64 + H LEU 34 OK 11 85 - 13 - 2078/4.0=2, 2099/4.7=2...(6) HG2 LYS 31 - H LEU 34 lone 6 93 - 6 - HG2 LYS 65 - H LEU 34 lone 3 73 - 4 - Peak 665 from nnoeabs.peaks (1.51, 8.79, 126.77 ppm; 3.87 A): 3 out of 16 assignments used, quality = 0.96: * HG LEU 34 + H LEU 34 OK 83 100 - 83 - 5.1=44, 3.0/664=17...(10) HB2 LYS 56 + H LEU 34 OK 57 93 - 61 - 2.9/666=10, 3.0/3991=8...(23) HD2 LYS 56 + H LEU 34 OK 49 89 - 56 - 3.0/666=10, 1.8/664=7...(20) HD2 LYS 17 - H LEU 34 OK 31 99 - 31 - 3.0/667=3, ~2104=3...(15) HD3 LYS 17 - H LEU 34 OK 31 99 - 31 - 3.0/667=3, ~2104=3...(15) HG3 ARG 27 - H LEU 34 OK 23 100 - 23 - 1.8/664=5, 1794/4.0=4...(8) QB ALA 71 - H LEU 34 OK 19 100 - 19 - 5625/4.6=5, 5625/148=2...(4) HG2 GLU 37 - H LEU 34 OK 18 95 - 19 - 4776/4.7=5, 4779/4.7=5...(8) HD3 LYS 64 - H LEU 34 OK 17 98 - 17 - 3.8/664=2, 2086/4.0=2...(8) HB3 LYS 26 - H LEU 34 OK 14 100 - 14 - 1693/4.7=2, 2.9/667=2...(5) HB3 LYS 44 - H LEU 34 OK 12 68 - 17 - 3.7/664=3, 1.8/151=3...(7) QB ALA 72 - H LEU 34 lone 5 78 - 6 - HB2 LEU 85 - H LEU 34 lone 5 100 - 5 - HB2 ARG 45 - H LEU 34 lone 4 99 - 4 - HB3 LEU 87 - H LEU 34 lone 3 89 - 4 - HG LEU 30 - H LEU 34 lone 3 71 - 4 - Peak 666 from nnoeabs.peaks (1.06, 8.79, 126.77 ppm; 3.91 A): 2 out of 4 assignments used, quality = 0.96: * QD2 LEU 34 + H LEU 34 OK 88 100 - 88 - 4.7=59, 3.1/664=17...(12) HG2 LYS 56 + H LEU 34 OK 64 99 - 65 - 2080/4.0=9, 2087/4.0=8...(22) QG2 THR 38 - H LEU 34 OK 16 85 - 19 - 2087/4.0=3, 4652/4.2=3...(9) QG2 VAL 66 - H LEU 34 OK 13 85 - 15 - 159/4.6=2, 2087/4.0=2...(6) Peak 667 from nnoeabs.peaks (1.22, 8.79, 126.77 ppm; 4.06 A): 2 out of 8 assignments used, quality = 0.98: * QD1 LEU 34 + H LEU 34 OK 93 100 - 93 - 4.7=66, 2104/3.0=30...(13) HG13 ILE 35 + H LEU 34 OK 72 95 - 76 - 2138/4.6=20, ~4725=15...(15) HD2 LYS 68 - H LEU 34 OK 38 98 - 39 - 3.0/152=7, 2074/3.0=5...(14) HD3 LYS 68 - H LEU 34 OK 38 97 - 39 - 3.0/152=7, 2074/3.0=5...(14) HG2 LYS 17 - H LEU 34 OK 34 78 - 43 - 2104/3.0=9, 3921/4.6=5...(16) HG3 LYS 26 - H LEU 34 OK 16 97 - 17 - 2081/4.0=2, 2088/4.0=2...(8) QG2 THR 83 - H LEU 34 lone 5 100 - 5 - HG2 LYS 14 - H LEU 34 lone 4 92 - 4 - Peak 668 from nnoeabs.peaks (8.98, 8.98, 126.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 35 + H ILE 35 OK 100 100 - 100 Peak 669 from nnoeabs.peaks (4.36, 8.98, 126.94 ppm; 3.54 A): 1 out of 5 assignments used, quality = 1.00: * HA ILE 35 + H ILE 35 OK 100 100 - 100 - 3.0=100 HA PRO 84 - H ILE 35 OK 38 98 - 39 - 2118/3.9=6, 2125/4.0=6...(11) HA LYS 44 - H ILE 35 OK 26 81 - 32 - 3.0/973=8, 2118/3.9=3...(13) HA ARG 45 - H ILE 35 lone 8 100 - 8 - 2125/4.0=1 HA THR 13 - H ILE 35 lone 7 73 - 9 - 6151/4.0=2, 2118/3.9=1 Peak 670 from nnoeabs.peaks (1.87, 8.98, 126.94 ppm; 3.33 A): 2 out of 10 assignments used, quality = 0.96: * HB ILE 35 + H ILE 35 OK 94 100 - 94 - 3.9=60, 2.1/2124=28...(17) HB3 PRO 84 + H ILE 35 OK 33 85 - 39 - 3550/3.0=7, 2.3/669=6...(14) HB2 GLU 49 - H ILE 35 OK 26 63 - 41 - 3.7/4927=14, 4986/4.5=6...(9) HB3 GLN 58 - H ILE 35 OK 20 87 - 23 - 5287/4.0=5, 4.0/4703=4...(8) HG3 PRO 19 - H ILE 35 OK 16 99 - 16 - 4375/4.0=3, 2112/3.0=2...(6) HB3 GLU 37 - H ILE 35 lone 8 96 - 8 - 4678/3920=1, 3.0/158=1 HB3 LYS 78 - H ILE 35 lone 8 100 - 8 - HG2 PRO 81 - H ILE 35 lone 6 95 - 6 - HB3 MET 11 - H ILE 35 lone 3 85 - 4 - HB2 MET 11 - H ILE 35 lone 3 81 - 4 - Peak 671 from nnoeabs.peaks (0.82, 8.98, 126.94 ppm; 3.31 A): 3 out of 8 assignments used, quality = 0.99: * QG2 ILE 35 + H ILE 35 OK 94 100 - 94 - 4.0=56, 2.1/2117=29...(19) QG1 VAL 47 + H ILE 35 OK 59 100 - 59 - 2.1/5977=12, 3.9/5980=10...(15) QG2 VAL 47 + H ILE 35 OK 49 89 - 56 - 2.1/5977=12, 3.9/5980=10...(14) HG3 LYS 68 - H ILE 35 OK 21 81 - 27 - 3.0/160=3, 3.0/160=3...(15) QD2 LEU 73 - H ILE 35 OK 14 90 - 16 - 5714/3.0=5, 6147/3.9=3...(4) HD2 LYS 26 - H ILE 35 lone 5 68 - 7 - 3.0/160=1 QD2 LEU 85 - H ILE 35 lone 4 95 - 5 - QD2 LEU 87 - H ILE 35 lone 2 83 - 2 - Peak 672 from nnoeabs.peaks (1.14, 8.98, 126.94 ppm; 3.70 A): 1 out of 2 assignments used, quality = 0.97: * HG12 ILE 35 + H ILE 35 OK 97 100 - 97 - 4.5=54, 1.8/2138=34...(20) QG1 VAL 66 - H ILE 35 OK 15 68 - 21 - 2114/3.0=4, 2.1/159=3...(7) Peak 673 from nnoeabs.peaks (1.23, 8.98, 126.94 ppm; 3.14 A): 2 out of 10 assignments used, quality = 0.97: * HG13 ILE 35 + H ILE 35 OK 88 100 - 88 - 4.5=33, 1.8/672=23...(19) QD1 LEU 34 + H ILE 35 OK 71 95 - 75 - 3921=27, 4.0/155=18...(19) HD2 LYS 68 - H ILE 35 OK 30 100 - 30 - 2115/3.0=3, 2129/4.0=3...(14) HD3 LYS 68 - H ILE 35 OK 30 100 - 30 - 2115/3.0=3, 2129/4.0=3...(14) HG2 LYS 17 - H ILE 35 OK 28 98 - 29 - 3921=8, 2104/3.6=4...(11) HG3 LYS 26 - H ILE 35 poor 9 73 - 12 - 2081/4.2=1, 2088/4.2=1 QG2 THR 83 - H ILE 35 lone 5 89 - 5 - HB2 LEU 79 - H ILE 35 lone 2 78 - 3 - HG2 LYS 14 - H ILE 35 lone 2 63 - 3 - HB3 LEU 23 - H ILE 35 lone 1 57 - 2 - Peak 674 from nnoeabs.peaks (0.65, 8.98, 126.94 ppm; 3.94 A): 1 out of 2 assignments used, quality = 0.98: * QD1 ILE 35 + H ILE 35 OK 98 100 - 98 - 4.8=55, 2.1/2138=36...(21) QD2 LEU 12 - H ILE 35 OK 44 97 - 46 - 2116/3.0=9, 2123/3.9=9...(9) Peak 675 from nnoeabs.peaks (7.56, 7.56, 112.17 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H SER 36 + H SER 36 OK 100 100 - 100 HE22 GLN 55 - HE22 GLN 55 OK 22 22 - 100 Peak 676 from nnoeabs.peaks (4.56, 7.56, 112.17 ppm; 3.57 A): 1 out of 8 assignments used, quality = 1.00: * HA SER 36 + H SER 36 OK 100 100 - 100 - 2.9=100 HA THR 83 - H SER 36 OK 15 99 - 15 - 2161/4.0=3, 2157/4.0=3...(7) HA SER 36 - HE22 GLN 55 lone 3 38 - 7 - 2152=2, 3.0/2160=1, 3.0/2156=1 HA ASP 88 - H SER 36 lone 1 60 - 2 - HA HIS 10 - H SER 36 lone 1 73 - 1 - HA THR 83 - HE22 GLN 55 lone 0 37 - 1 - HA ASP 88 - HE22 GLN 55 lone 0 18 - 1 - HA HIS 10 - HE22 GLN 55 lone 0 23 - 1 - Peak 677 from nnoeabs.peaks (3.75, 7.56, 112.17 ppm; 3.92 A): 1 out of 6 assignments used, quality = 0.97: * HB2 SER 36 + H SER 36 OK 97 100 - 97 - 4.0=92, 1.8/678=32...(12) HA LYS 65 - H SER 36 OK 19 89 - 22 - 2154/2.9=3, 4738/4.4=3...(7) HA2 GLY 40 - H SER 36 lone 8 95 - 8 - 2154/2.9=1, 4738/4.4=1 HA LYS 65 - HE22 GLN 55 poor 6 30 - 21 - 3.6/5477=4, 2928/4.5=3...(7) HB2 SER 36 - HE22 GLN 55 poor 5 38 - 12 - 2156=2, 1.8/2160=2, 3.0/2152=1 HA2 GLY 40 - HE22 GLN 55 lone 0 33 - 1 - Peak 678 from nnoeabs.peaks (3.57, 7.56, 112.17 ppm; 3.71 A): 2 out of 4 assignments used, quality = 0.92: * HB3 SER 36 + H SER 36 OK 90 100 - 90 - 4.0=77, 1.8/677=24...(10) HD3 ARG 27 + H SER 36 OK 17 92 - 18 - 2155/2.9=5, 2159/4.0=3...(6) HB3 SER 36 - HE22 GLN 55 lone 4 38 - 9 - 2160=2, 1.8/2156=2, 3.0/2152=1 HD3 ARG 27 - HE22 GLN 55 lone 2 31 - 6 - 4539/1.7=2, ~5997=2 Peak 679 from nnoeabs.peaks (8.32, 8.32, 125.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + H GLU 37 OK 100 100 - 100 Peak 680 from nnoeabs.peaks (4.82, 8.32, 125.04 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 37 + H GLU 37 OK 100 100 - 100 - 2.9=100 Peak 681 from nnoeabs.peaks (1.81, 8.32, 125.04 ppm; 3.87 A): 2 out of 14 assignments used, quality = 0.95: * HB2 GLU 37 + H GLU 37 OK 92 100 - 92 - 4.1=86, 1.8/2176=18...(6) HG3 GLU 37 + H GLU 37 OK 39 63 - 62 - 4.9=48, 3.0/2176=14...(4) HB VAL 66 - H GLU 37 OK 14 65 - 21 - 2.1/4780=4, 2171/2.9=4...(8) HB2 LYS 44 - H GLU 37 OK 13 100 - 13 - 4.0/168=3, 2256/4.6=2...(5) HB2 MET 48 - H GLU 37 OK 10 78 - 13 - 2189/2.9=3, 2184/4.9=2...(5) HB2 LYS 31 - H GLU 37 poor 7 60 - 12 - 1928/4.6=4, 3.9/975=4 HB2 LYS 65 - H GLU 37 poor 7 63 - 11 - 3.0/170=4, 2918/4.5=2...(4) HB3 GLU 33 - H GLU 37 lone 5 100 - 5 - HG3 GLU 51 - H GLU 37 lone 4 99 - 4 - HG2 GLU 51 - H GLU 37 lone 4 99 - 4 - HB2 GLU 22 - H GLU 37 lone 4 65 - 5 - HG LEU 76 - H GLU 37 lone 3 99 - 3 - HB2 LYS 91 - H GLU 37 lone 1 76 - 1 - HB2 ARG 28 - H GLU 37 lone 1 60 - 2 - Peak 682 from nnoeabs.peaks (1.86, 8.32, 125.04 ppm; 4.00 A): 1 out of 9 assignments used, quality = 0.97: * HB3 GLU 37 + H GLU 37 OK 97 100 - 97 - 4.1=95, 1.8/681=18...(9) HB ILE 35 - H GLU 37 OK 32 96 - 34 - 3923/4.6=12, 4737/4.5=9...(6) HB VAL 66 - H GLU 37 OK 25 85 - 30 - 2177/2.9=6, 2176=6...(10) HB3 PRO 84 - H GLU 37 OK 24 99 - 24 - 4116=6, 2.3/4114=3...(10) HG3 PRO 19 - H GLU 37 OK 12 99 - 12 - 175/4.6=2, 2167/2.9=2...(4) HB2 GLU 49 - H GLU 37 OK 11 90 - 12 - 4762/4.5=2, 4756/4.5=2...(5) HB3 LYS 78 - H GLU 37 lone 8 98 - 8 - 2167/2.9=2, 2185/4.9=1 HB2 GLU 22 - H GLU 37 lone 8 85 - 9 - 2167/2.9=1, 175/4.6=1 HG2 PRO 81 - H GLU 37 lone 6 100 - 6 - Peak 683 from nnoeabs.peaks (1.50, 8.32, 125.04 ppm; 5.32 A): 2 out of 13 assignments used, quality = 1.00: * HG2 GLU 37 + H GLU 37 OK 100 100 - 100 - 4.9=100 HG LEU 34 + H GLU 37 OK 69 95 - 74 - ~6195=25, 2.1/4683=22...(9) HB2 ARG 45 - H GLU 37 OK 27 99 - 28 - 6180/4.6=19, 2168/2.9=3...(4) HG3 ARG 27 - H GLU 37 OK 27 90 - 30 - 1797/4.5=7, 3.0/171=7...(10) HB2 LYS 56 - H GLU 37 OK 21 100 - 21 - 2.9/4780=5, 2623/4683=3...(8) HB2 LEU 85 - H GLU 37 OK 17 97 - 17 - 3578=2, 4.3/404=2...(8) HD3 LYS 17 - H GLU 37 OK 15 99 - 14 - ~6196=3, 2168/2.9=2...(5) HD2 LYS 17 - H GLU 37 OK 15 99 - 14 - ~6196=3, 2168/2.9=2...(5) QB ALA 71 - H GLU 37 OK 12 87 - 14 - 5623/991=1 QB ALA 72 - H GLU 37 OK 11 98 - 12 - 176/4.6=1, 2168/2.9=1 HD3 LYS 64 - H GLU 37 poor 8 78 - 11 - HB3 LYS 26 - H GLU 37 lone 8 90 - 9 - 176/4.6=1 HG LEU 79 - H GLU 37 lone 2 65 - 3 - Peak 684 from nnoeabs.peaks (1.79, 8.32, 125.04 ppm; 4.35 A): 2 out of 17 assignments used, quality = 0.92: * HG3 GLU 37 + H GLU 37 OK 80 100 - 80 - 4.9=68, 3.0/2176=17...(5) HB2 GLU 37 + H GLU 37 OK 63 63 - 100 - 4.1=100 HB2 MET 48 - H GLU 37 OK 22 99 - 23 - 2189/2.9=7, 2187/4.9=3...(7) HB2 LYS 31 - H GLU 37 OK 20 100 - 20 - 1928/4.6=9, 3.9/975=5...(4) HB2 ARG 27 - H GLU 37 OK 19 96 - 19 - 1773/4.5=5, 3.5/171=5...(6) HB2 LYS 65 - H GLU 37 OK 14 100 - 14 - 3.0/170=4, 2918/4.5=3...(4) HD3 LYS 78 - H GLU 37 lone 8 100 - 8 - 3350/4.1=2, 2169/2.9=1 QE MET 11 - H GLU 37 lone 8 85 - 9 - 4252=2, 4241/4185=1 HB2 LYS 44 - H GLU 37 poor 7 65 - 10 - 4.0/168=4, 2256/4.6=2, 177/4.6=1 QB ALA 74 - H GLU 37 lone 5 96 - 6 - HG2 GLU 51 - H GLU 37 lone 4 83 - 4 - HG3 GLU 51 - H GLU 37 lone 4 81 - 4 - HB2 ARG 28 - H GLU 37 lone 3 100 - 3 - HG LEU 76 - H GLU 37 lone 3 83 - 3 - HB3 ARG 28 - H GLU 37 lone 3 81 - 3 - HB2 LYS 91 - H GLU 37 lone 2 100 - 2 - HB3 GLU 33 - H GLU 37 lone 2 65 - 3 - Peak 685 from nnoeabs.peaks (8.48, 8.48, 116.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 38 + H THR 38 OK 100 100 - 100 Peak 686 from nnoeabs.peaks (4.61, 8.48, 116.68 ppm; 3.53 A): 2 out of 10 assignments used, quality = 1.00: * HA THR 38 + H THR 38 OK 100 100 - 100 - 3.0=100 HA LYS 31 + H THR 38 OK 48 92 - 52 - 1918=13, 3.0/1928=9...(15) HA ARG 27 - H THR 38 OK 19 100 - 20 - 4.1/4783=3, 3.0/177=2...(9) HA LEU 12 - H THR 38 lone 7 100 - 7 - 2199/3.8=1 HA GLU 33 - H THR 38 lone 5 83 - 6 - 2203/4.0=1 HA ASN 24 - H THR 38 lone 4 92 - 5 - HA ASN 63 - H THR 38 lone 4 97 - 4 - HA ASP 43 - H THR 38 lone 3 99 - 3 - HA ASP 82 - H THR 38 lone 2 100 - 2 - HA HIS 42 - H THR 38 lone 1 83 - 1 - Peak 687 from nnoeabs.peaks (4.19, 8.48, 116.68 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 38 + H THR 38 OK 100 100 - 100 - 3.8=100 HA3 GLY 40 - H THR 38 OK 21 85 - 25 - 180/4.6=8, 2196/3.0=6...(5) Peak 688 from nnoeabs.peaks (1.08, 8.48, 116.68 ppm; 3.52 A): 4 out of 5 assignments used, quality = 0.90: * QG2 THR 38 + H THR 38 OK 79 100 - 79 - 4.0=69, 2197/3.0=21...(4) QD2 LEU 34 + H THR 38 OK 38 85 - 44 - 6195/3.6=11, 2.1/4781=10...(10) HG2 LYS 56 + H THR 38 OK 13 96 - 13 - 2197/3.0=2, 4780/4.6=2...(4) QG2 THR 13 + H THR 38 OK 10 76 - 13 - 2202=4, 3.2/4784=4...(4) HG3 LYS 14 - H THR 38 lone 4 85 - 4 - 4780/4.6=1 Peak 689 from nnoeabs.peaks (8.38, 8.38, 107.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 39 + H GLY 39 OK 100 100 - 100 Peak 690 from nnoeabs.peaks (3.72, 8.38, 107.82 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 39 + H GLY 39 OK 100 100 - 100 - 3.0=100 HA LYS 65 - H GLY 39 lone 7 87 - 7 - 4786/4.4=2, 2210/3.0=1, ~2918=1 Peak 691 from nnoeabs.peaks (4.27, 8.38, 107.82 ppm; 4.39 A): 1 out of 7 assignments used, quality = 1.00: * HA3 GLY 39 + H GLY 39 OK 100 100 - 100 - 3.0=100 HA ALA 89 - H GLY 39 OK 12 85 - 14 - 4136=4, 3.0/1017=2...(5) HA LYS 78 - H GLY 39 lone 4 92 - 4 - HA ALA 86 - H GLY 39 lone 3 83 - 3 - HA VAL 52 - H GLY 39 lone 3 100 - 3 - HA LEU 85 - H GLY 39 lone 2 96 - 2 - HA LEU 87 - H GLY 39 lone 2 63 - 3 - Peak 692 from nnoeabs.peaks (8.38, 8.38, 108.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 40 + H GLY 40 OK 100 100 - 100 Peak 693 from nnoeabs.peaks (3.77, 8.38, 108.25 ppm; 3.15 A): 1 out of 4 assignments used, quality = 1.00: * HA2 GLY 40 + H GLY 40 OK 100 100 - 100 - 3.0=100 HD3 PRO 19 - H GLY 40 lone 4 71 - 6 - 3.6/4147=2 HB2 SER 36 - H GLY 40 lone 3 95 - 3 - HA LYS 65 - H GLY 40 lone 1 57 - 2 - Peak 694 from nnoeabs.peaks (4.21, 8.38, 108.25 ppm; 3.60 A): 1 out of 3 assignments used, quality = 1.00: * HA3 GLY 40 + H GLY 40 OK 100 100 - 100 - 3.0=100 HB THR 38 - H GLY 40 OK 34 85 - 40 - 3937=10, 4786/3.5=9...(9) HA LEU 30 - H GLY 40 lone 2 87 - 3 - Peak 695 from nnoeabs.peaks (7.99, 7.99, 120.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 43 + H ASP 43 OK 100 100 - 100 Peak 696 from nnoeabs.peaks (4.61, 7.99, 120.13 ppm; 4.29 A): 2 out of 11 assignments used, quality = 1.00: * HA ASP 43 + H ASP 43 OK 100 100 - 100 - 3.0=100 HA HIS 42 + H ASP 43 OK 65 65 - 100 - 3.6=100 HA ASP 82 - H ASP 43 OK 12 96 - 12 - 2239/4.0=2, 2243/4.0=2...(5) HA ARG 27 - H ASP 43 OK 11 96 - 12 - 2226/4.5=2, 5.3/187=2...(4) HA ASN 63 - H ASP 43 poor 10 89 - 11 - 4.4/978=3, 2239/4.0=1 HA LEU 12 - H ASP 43 lone 9 100 - 9 - 190/4.6=2 HA LYS 31 - H ASP 43 lone 6 99 - 6 - 190/4.6=2 HA THR 38 - H ASP 43 lone 5 99 - 5 - HA ASN 24 - H ASP 43 lone 3 78 - 4 - HA GLU 33 - H ASP 43 lone 3 65 - 5 - HA HIS 10 - H ASP 43 lone 1 76 - 1 - Peak 697 from nnoeabs.peaks (2.58, 7.99, 120.13 ppm; 5.18 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASP 43 + H ASP 43 OK 100 100 - 100 - 4.0=100 HB2 PHE 46 - H ASP 43 OK 28 99 - 28 - 2236/3.0=6, 191/4.6=5...(8) HB3 PHE 46 - H ASP 43 OK 14 60 - 23 - ~2236=5, 2236/3.0=3...(8) HB3 ASP 82 - H ASP 43 OK 12 92 - 12 - 2236/3.0=3, 3.0/696=2...(5) HB3 ASP 88 - H ASP 43 lone 7 99 - 7 - 3.6/1043=1, 2236/3.0=1 Peak 698 from nnoeabs.peaks (2.44, 7.99, 120.13 ppm; 5.26 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 43 + H ASP 43 OK 100 100 - 100 - 4.0=100 HG3 MET 21 - H ASP 43 OK 10 83 - 12 - 192/4.6=6, 2237/3.0=2 HG3 GLU 25 - H ASP 43 lone 6 99 - 6 - 2237/3.0=1, 192/4.6=1 HG3 GLU 77 - H ASP 43 lone 4 81 - 5 - 192/4.6=1 Peak 699 from nnoeabs.peaks (7.57, 7.57, 121.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 44 + H LYS 44 OK 100 100 - 100 Peak 700 from nnoeabs.peaks (4.34, 7.57, 121.44 ppm; 3.67 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 44 + H LYS 44 OK 100 100 - 100 - 3.0=100 HA ILE 35 - H LYS 44 OK 41 81 - 51 - 3922=9, 3.0/973=8...(16) HA ARG 45 - H LYS 44 OK 25 89 - 28 - 3.7/704=6, 2267/4.0=4...(12) HA THR 13 - H LYS 44 OK 16 100 - 16 - 2267/4.0=2, 2277/4.7=2...(7) HA MET 11 - H LYS 44 OK 14 85 - 17 - 2246=3, 2267/4.0=2...(7) Peak 701 from nnoeabs.peaks (1.81, 7.57, 121.44 ppm; 3.43 A): 6 out of 14 assignments used, quality = 0.89: * HB2 LYS 44 + H LYS 44 OK 79 100 - 79 - 4.0=62, 1.8/2266=19...(9) HB3 GLU 33 + H LYS 44 OK 15 100 - 15 - 2248/3.0=2, 2256=2...(6) HG3 GLU 51 + H LYS 44 OK 11 99 - 11 - 5075/4.0=2, 2248/3.0=2...(4) HG2 GLU 51 + H LYS 44 OK 11 99 - 11 - 5075/4.0=2, 2248/3.0=2...(4) HB2 LYS 65 + H LYS 44 OK 11 65 - 16 - 3.0/4793=4, ~4795=2...(5) HB2 LYS 31 + H LYS 44 OK 10 63 - 17 - 3.0/705=2, 3.0/706=2...(9) HB2 GLU 37 - H LYS 44 lone 8 100 - 8 - 4.1/168=2, 2248/3.0=1 HB2 MET 48 - H LYS 44 poor 8 81 - 10 - 3.0/4905=3 HB VAL 66 - H LYS 44 lone 4 63 - 7 - 4.0/5477=1 HG LEU 76 - H LYS 44 lone 4 99 - 4 - HB2 LYS 91 - H LYS 44 lone 4 78 - 5 - HG3 GLU 37 - H LYS 44 lone 4 65 - 6 - 4.9/168=2 HB2 GLU 22 - H LYS 44 lone 2 63 - 4 - 4.0/1023=1 HB2 ARG 28 - H LYS 44 lone 1 63 - 1 - Peak 702 from nnoeabs.peaks (1.54, 7.57, 121.44 ppm; 3.45 A): 5 out of 10 assignments used, quality = 0.91: * HB3 LYS 44 + H LYS 44 OK 80 100 - 80 - 4.0=63, 1.8/701=17...(9) HD2 LYS 56 + H LYS 44 OK 28 98 - 29 - 2249/3.0=4, 2259/4.0=3...(13) HG LEU 34 + H LYS 44 OK 18 68 - 27 - 2.1/4688=7, 2.1/4684=5...(8) HD3 LYS 64 + H LYS 44 OK 16 89 - 18 - 2879/4.7=3, 2249/3.0=2...(9) HB3 LYS 26 + H LYS 44 OK 12 76 - 16 - 2.9/704=2, 2249/3.0=2...(8) HG3 ARG 27 - H LYS 44 poor 9 76 - 12 - 1.8/705=2, 2249/3.0=1, ~2252=1 QB ALA 71 - H LYS 44 lone 5 81 - 6 - 5632/4.6=1, 5632/189=1 HG LEU 30 - H LYS 44 lone 3 100 - 3 - HB3 LEU 87 - H LYS 44 lone 3 98 - 3 - HB2 LEU 85 - H LYS 44 lone 1 63 - 1 - Peak 703 from nnoeabs.peaks (1.37, 7.57, 121.44 ppm; 4.01 A): 3 out of 12 assignments used, quality = 0.95: * HG2 LYS 44 + H LYS 44 OK 88 100 - 88 - 4.7=61, 2.9/2266=20...(13) HB3 LYS 56 + H LYS 44 OK 37 99 - 38 - 2270/4.0=5, 3.4/702=5...(15) HG2 LYS 68 + H LYS 44 OK 29 100 - 29 - 3053/4.6=7, 4.9/189=5...(9) HB2 LYS 64 - H LYS 44 OK 26 99 - 27 - 2270/4.0=3, 1.8/705=3...(13) HD3 LYS 56 - H LYS 44 OK 25 76 - 33 - 1.8/702=7, 3.0/706=4...(12) QB ALA 67 - H LYS 44 OK 21 100 - 20 - 3.7/189=7, 4045/4.6=4...(4) HB3 LEU 12 - H LYS 44 OK 20 99 - 20 - 3.0/190=3, 4261/3.0=3...(9) QB ALA 69 - H LYS 44 lone 8 92 - 8 - 2.1/6190=1 HG2 LYS 91 - H LYS 44 lone 6 85 - 7 - HG3 LYS 91 - H LYS 44 lone 6 85 - 7 - QB ALA 89 - H LYS 44 lone 3 93 - 3 - QB ALA 86 - H LYS 44 lone 1 60 - 1 - Peak 704 from nnoeabs.peaks (1.18, 7.57, 121.44 ppm; 4.35 A): 2 out of 4 assignments used, quality = 0.97: * HG3 LYS 44 + H LYS 44 OK 93 100 - 93 - 4.7=78, 2.9/2266=23...(12) HG2 ARG 45 + H LYS 44 OK 56 100 - 56 - 2251/3.0=10, 2271/4.0=9...(17) HG3 LYS 26 - H LYS 44 OK 19 63 - 31 - 2286=4, 2271/4.0=4...(13) HG2 LYS 14 - H LYS 44 OK 10 73 - 14 - 2286=2, 2251/3.0=2...(6) Peak 705 from nnoeabs.peaks (1.42, 7.57, 121.44 ppm; 4.42 A): 3 out of 7 assignments used, quality = 0.96: * HD2 LYS 44 + H LYS 44 OK 88 100 - 88 - 5.8=45, 3.7/2266=20...(16) HB3 LEU 34 + H LYS 44 OK 46 100 - 46 - 4.2/973=8, 3.1/4688=8...(15) HG2 LYS 31 + H LYS 44 OK 33 95 - 35 - 2252/3.0=5, 1.8/706=4...(14) HD3 LYS 56 - H LYS 44 OK 26 63 - 42 - 1.8/702=8, 2272/4.0=5...(13) HB3 LYS 64 - H LYS 44 OK 25 83 - 31 - 1.8/703=4, 2252/3.0=4...(11) HG2 ARG 27 - H LYS 44 OK 24 100 - 24 - 2252/3.0=3, 2272/4.0=3...(11) HG2 LYS 65 - H LYS 44 OK 17 71 - 24 - 3.7/4793=7, 3.0/701=2...(11) Peak 706 from nnoeabs.peaks (1.29, 7.57, 121.44 ppm; 4.51 A): 3 out of 9 assignments used, quality = 0.96: * HD3 LYS 44 + H LYS 44 OK 89 100 - 89 - 5.8=48, 3.7/2266=21...(14) HG3 LYS 56 + H LYS 44 OK 45 97 - 47 - 3.0/702=7, 2253/3.0=6...(15) HB3 LYS 68 + H LYS 44 OK 37 100 - 37 - 3043/4.6=9, 4.0/189=8...(12) HG3 LYS 31 - H LYS 44 OK 34 98 - 35 - 1.8/705=5, 2253/3.0=4...(15) HG3 ARG 45 - H LYS 44 OK 34 65 - 52 - 1.8/704=13, ~2251=7...(17) HB2 LYS 26 - H LYS 44 OK 25 87 - 29 - 2.9/704=4, 1.8/702=3...(13) HG3 LYS 65 - H LYS 44 OK 16 65 - 25 - 3.7/4793=7, 1.8/705=3...(9) QB ALA 60 - H LYS 44 OK 11 85 - 13 - 5364/3.0=3 HG3 LYS 17 - H LYS 44 poor 10 83 - 11 - 1.8/4688=1 Peak 709 from nnoeabs.peaks (8.63, 8.63, 119.94 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H VAL 47 + H VAL 47 OK 100 100 - 100 H GLN 58 - H GLN 58 OK 35 35 - 100 Peak 710 from nnoeabs.peaks (5.04, 8.63, 119.94 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 47 + H VAL 47 OK 100 100 - 100 - 3.0=100 HA PHE 80 - H VAL 47 OK 28 100 - 28 - 2395/4.0=5, ~3432=3...(10) HA VAL 47 - H GLN 58 OK 23 45 - 50 - 5335/4.7=11, 2389=9...(12) HA PHE 80 - H GLN 58 lone 4 45 - 8 - 5335/4.7=2, 3421/4.7=2 Peak 711 from nnoeabs.peaks (1.93, 8.63, 119.94 ppm; 3.29 A): 4 out of 24 assignments used, quality = 0.92: * HB VAL 47 + H VAL 47 OK 80 100 - 80 - 4.0=58, 2.1/2399=14...(12) QE MET 48 + H VAL 47 OK 39 100 - 39 - 2444/4.7=10, 3.3/195=5...(13) HG3 GLU 49 + H GLN 58 OK 22 45 - 49 - 4942/3.0=11, 4984/4.9=10...(11) HG3 PRO 81 + H VAL 47 OK 20 97 - 21 - 5913/3.0=4, ~5914=4...(7) HG3 GLU 49 - H VAL 47 OK 20 100 - 20 - 4981/3.9=3, 3.7/4930=3...(8) HB VAL 47 - H GLN 58 OK 18 45 - 41 - 2394=8, 2.1/2399=6...(11) HB2 GLU 33 - H VAL 47 OK 13 96 - 14 - 4654/3.9=3, 4654/3.9=2...(5) HG3 PRO 81 - H GLN 58 poor 9 41 - 23 - 2.3/2737=5, ~2738=4...(8) HB2 LEU 76 - H VAL 47 lone 8 92 - 9 - ~5789=2, 6173/3.9=1...(4) QE MET 48 - H GLN 58 poor 7 45 - 16 - 4920/4.6=3, 6.2/198=3...(6) HB2 GLU 33 - H GLN 58 poor 5 40 - 13 - 3912/4.6=3, 2045/3.6=3 HG3 PRO 84 - H VAL 47 lone 4 87 - 5 - HB VAL 20 - H VAL 47 lone 4 99 - 4 - HB3 GLU 22 - H VAL 47 lone 3 96 - 4 - HD2 LYS 78 - H VAL 47 lone 3 97 - 3 - HG3 PRO 84 - H GLN 58 lone 3 34 - 9 - ~2734=2, 3565/4.9=2, 2731/3.0=1 HB VAL 20 - H GLN 58 lone 2 43 - 5 - HG2 PRO 19 - H VAL 47 lone 2 60 - 4 - HB3 GLU 22 - H GLN 58 lone 1 40 - 3 - HD2 LYS 78 - H GLN 58 lone 1 42 - 3 - HB2 LEU 76 - H GLN 58 lone 1 37 - 4 - HG2 PRO 19 - H GLN 58 lone 1 21 - 6 - HB2 GLU 77 - H VAL 47 lone 1 63 - 1 - HB2 GLU 77 - H GLN 58 lone 0 22 - 1 - Peak 712 from nnoeabs.peaks (0.84, 8.63, 119.94 ppm; 3.05 A): 3 out of 18 assignments used, quality = 0.93: * QG2 VAL 47 + H VAL 47 OK 72 100 - 72 - 3.9=46, 2400/3.0=13...(13) QG1 VAL 47 + H VAL 47 OK 62 85 - 73 - 3.9=46, 2.1/2399=12...(16) QG2 ILE 35 + H VAL 47 OK 36 89 - 41 - 4.0/5980=8, 4.4/4769=8...(12) QG2 VAL 47 - H GLN 58 OK 19 45 - 42 - 2399=7, 2.1/2394=6...(14) QG1 VAL 47 - H GLN 58 OK 15 33 - 44 - 5975/3.0=7, 2.1/2394=6...(12) QG2 ILE 35 - H GLN 58 OK 14 35 - 40 - ~4728=5, 4709/6.6=4...(16) HD2 LYS 26 - H VAL 47 lone 7 98 - 7 - 3.0/4823=2, 2392/3.0=1 QB ALA 75 - H GLN 58 poor 4 22 - 20 - 4.5/5735=9, 5741/4.5=4...(5) QD2 LEU 73 - H VAL 47 lone 4 100 - 4 - QD2 LEU 85 - H VAL 47 lone 3 100 - 3 - QB ALA 75 - H VAL 47 lone 3 63 - 4 - 4.5/5735=2 QD2 LEU 73 - H GLN 58 lone 2 45 - 5 - QD2 LEU 87 - H VAL 47 lone 2 100 - 2 - QD2 LEU 30 - H VAL 47 lone 2 63 - 3 - HD2 LYS 26 - H GLN 58 lone 2 42 - 4 - QD2 LEU 85 - H GLN 58 lone 1 45 - 3 - QD2 LEU 87 - H GLN 58 lone 1 45 - 2 - QD2 LEU 30 - H GLN 58 lone 1 22 - 3 - 4672/4.5=1 Peak 713 from nnoeabs.peaks (0.82, 8.63, 119.94 ppm; 3.05 A): 3 out of 16 assignments used, quality = 0.94: * QG1 VAL 47 + H VAL 47 OK 74 100 - 74 - 3.9=46, 2.1/2399=12...(17) QG2 VAL 47 + H VAL 47 OK 60 85 - 71 - 3.9=46, 2400/3.0=11...(13) QG2 ILE 35 + H VAL 47 OK 43 100 - 43 - 4.0/5980=8, 4.4/4769=8...(12) QG1 VAL 47 - H GLN 58 OK 22 45 - 49 - 5975/3.0=8, 5978/4.7=7...(14) QG2 ILE 35 - H GLN 58 OK 20 45 - 44 - ~4728=5, 4709/6.6=5...(18) HG3 LYS 68 - H VAL 47 OK 14 85 - 17 - 4820/3.6=2, 1.8/4824=2...(7) QG2 VAL 47 - H GLN 58 OK 14 33 - 43 - 2399=6, 2.1/2394=6...(12) HD2 LYS 26 - H VAL 47 lone 4 63 - 6 - 3.0/4823=2 QD2 LEU 73 - H VAL 47 lone 3 87 - 4 - HG3 LYS 68 - H GLN 58 poor 3 33 - 10 - 5270/3.0=2, 5287/4.0=1...(4) QD2 LEU 85 - H VAL 47 lone 3 92 - 3 - QD2 LEU 73 - H GLN 58 lone 2 34 - 5 - QD2 LEU 85 - H GLN 58 lone 1 37 - 4 - QD2 LEU 87 - H VAL 47 lone 1 78 - 2 - HD2 LYS 26 - H GLN 58 lone 0 22 - 2 - QD2 LEU 87 - H GLN 58 lone 0 30 - 1 - Peak 714 from nnoeabs.peaks (9.23, 9.23, 125.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 48 + H MET 48 OK 100 100 - 100 Peak 715 from nnoeabs.peaks (5.61, 9.23, 125.43 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 48 + H MET 48 OK 100 100 - 100 - 3.0=100 Peak 716 from nnoeabs.peaks (1.79, 9.23, 125.43 ppm; 3.40 A): 6 out of 17 assignments used, quality = 0.94: * HB2 MET 48 + H MET 48 OK 84 100 - 84 - 4.0=59, 3.0/719=22...(11) HG3 GLU 37 + H MET 48 OK 32 99 - 33 - 2416=9, 2417/3.0=7...(10) HB3 GLU 33 + H MET 48 OK 18 81 - 22 - 4.1/980=6, 2050/4.6=4...(8) HB2 GLU 37 + H MET 48 OK 16 78 - 20 - 3.0/2416=6, ~2417=3...(7) HG LEU 76 + H MET 48 OK 11 93 - 12 - 4.9/4902=2, 2425/4.0=1...(6) HB2 LYS 65 + H MET 48 OK 11 99 - 11 - 2425/4.0=2, ~2412=2...(5) QB ALA 74 - H MET 48 lone 9 87 - 10 - 5736/5337=2, 5735/198=2 HD3 LYS 78 - H MET 48 lone 7 97 - 7 - 1.8/720=1 HB2 LYS 44 - H MET 48 lone 7 81 - 9 - 2.9/4844=1, 2411/3.0=1 HB2 ARG 27 - H MET 48 lone 6 87 - 7 - HB2 LYS 31 - H MET 48 lone 5 99 - 5 - HB2 LYS 91 - H MET 48 lone 4 100 - 4 - HB2 ARG 28 - H MET 48 lone 4 99 - 4 - HG2 GLU 51 - H MET 48 lone 3 93 - 3 - HG3 GLU 51 - H MET 48 lone 3 92 - 3 - QE MET 11 - H MET 48 lone 2 71 - 3 - HB3 ARG 28 - H MET 48 lone 2 65 - 3 - Peak 717 from nnoeabs.peaks (1.75, 9.23, 125.43 ppm; 3.31 A): 3 out of 9 assignments used, quality = 0.86: * HB3 MET 48 + H MET 48 OK 82 100 - 82 - 4.0=55, 3.0/719=21...(12) HB2 LEU 73 + H MET 48 OK 12 100 - 12 - 2412/3.0=2, 2440/5.1=1...(6) HB3 LYS 65 + H MET 48 OK 11 90 - 13 - 2412/3.0=3, 2419/4.0=2...(5) QB ALA 74 - H MET 48 lone 7 73 - 10 - 5736/5337=2, 5735/198=2 HB3 GLN 55 - H MET 48 lone 7 100 - 7 - 2412/3.0=2 HB2 LYS 17 - H MET 48 poor 6 57 - 11 - ~4692=2, 3.0/4874=1...(6) HB2 ARG 27 - H MET 48 lone 6 73 - 8 - 2412/3.0=1 QE MET 11 - H MET 48 lone 5 89 - 6 - HB3 ARG 28 - H MET 48 lone 5 92 - 5 - Peak 718 from nnoeabs.peaks (2.53, 9.23, 125.43 ppm; 4.06 A): 2 out of 5 assignments used, quality = 0.96: * HG2 MET 48 + H MET 48 OK 93 100 - 93 - 5.1=51, 1.8/719=39...(17) HB2 TYR 32 + H MET 48 OK 36 90 - 39 - 4.7/980=7, 2413/3.0=7...(10) HB3 PHE 46 - H MET 48 OK 26 81 - 33 - 4.2/979=15, 5504/5493=4...(11) HE3 LYS 26 - H MET 48 OK 23 97 - 24 - 2413/3.0=4, 2427/4.0=3...(10) HE2 LYS 26 - H MET 48 OK 21 93 - 23 - 2413/3.0=3, 2427/4.0=3...(10) Peak 719 from nnoeabs.peaks (2.35, 9.23, 125.43 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.94: * HG3 MET 48 + H MET 48 OK 94 100 - 94 - 5.1=47, 1.8/2430=30...(18) Peak 720 from nnoeabs.peaks (1.93, 9.23, 125.43 ppm; 3.84 A): 2 out of 12 assignments used, quality = 0.99: HB VAL 47 + H MET 48 OK 92 100 - 92 - 4.4=65, 3.0/3953=33...(15) * QE MET 48 + H MET 48 OK 86 100 - 86 - 2445/3.0=28, 3.3/719=26...(16) HB2 GLU 33 - H MET 48 OK 38 96 - 40 - 4.1/980=7, 2044/4.6=7...(13) HG3 GLU 49 - H MET 48 OK 34 100 - 35 - 5.0/980=9, 4942/4899=5...(12) HB2 LEU 76 - H MET 48 OK 20 92 - 22 - 4.0/4902=2, 2429/4.0=2...(10) HG3 PRO 81 - H MET 48 OK 16 97 - 17 - 5913/3.5=5, 711/4.7=2...(5) HG3 PRO 84 - H MET 48 OK 11 87 - 13 - 2.3/4872=3, 209/4.6=2 HD2 LYS 78 - H MET 48 OK 11 97 - 11 - 1.8/716=1, 2429/4.0=1...(4) HB VAL 20 - H MET 48 lone 9 99 - 9 - HB3 GLU 22 - H MET 48 lone 6 96 - 7 - HG2 PRO 19 - H MET 48 lone 6 60 - 10 - 2.3/4872=3 HB2 GLU 77 - H MET 48 lone 2 63 - 3 - Peak 721 from nnoeabs.peaks (9.43, 9.43, 121.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 49 + H GLU 49 OK 100 100 - 100 Peak 722 from nnoeabs.peaks (5.67, 9.43, 121.51 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 49 + H GLU 49 OK 100 100 - 100 - 3.0=100 Peak 723 from nnoeabs.peaks (1.84, 9.43, 121.51 ppm; 3.42 A): 3 out of 9 assignments used, quality = 0.96: * HB2 GLU 49 + H GLU 49 OK 89 100 - 89 - 3.7=77, 1.8/724=13...(13) HB ILE 35 + H GLU 49 OK 41 63 - 66 - 3.9/4927=15, 3.0/6182=14...(14) HB3 PRO 84 + H GLU 49 OK 31 98 - 32 - 2453/3.0=5, 2465/3.7=4...(12) HG2 PRO 81 - H GLU 49 OK 15 92 - 17 - ~5296=3, 2453/3.0=3...(8) HB3 GLU 37 - H GLU 49 OK 10 90 - 11 - 3.0/3958=3, 1.8/205=2 HB2 GLU 22 - H GLU 49 OK 10 100 - 10 - 2453/3.0=2, 2465/3.7=2 HB3 LYS 78 - H GLU 49 poor 9 71 - 12 - 2465/3.7=2, 1.8/725=1...(6) HG3 PRO 19 - H GLU 49 lone 5 78 - 6 - HB VAL 66 - H GLU 49 lone 4 100 - 4 - Peak 724 from nnoeabs.peaks (2.02, 9.43, 121.51 ppm; 3.36 A): 2 out of 9 assignments used, quality = 0.95: * HB3 GLU 49 + H GLU 49 OK 87 100 - 87 - 3.7=73, 1.8/723=14...(11) HG2 GLU 49 + H GLU 49 OK 64 100 - 64 - 5.0=31, 3.0/723=11...(11) HB2 LEU 34 - H GLU 49 OK 38 76 - 51 - 3.0/4931=21, 4.2/4927=13...(9) HG2 PRO 84 - H GLU 49 OK 21 78 - 27 - 2.3/723=4, 2.3/6181=4...(9) HB2 LYS 78 - H GLU 49 poor 8 73 - 11 - 1.8/723=1, 2461/3.7=1...(5) HB2 LEU 23 - H GLU 49 lone 7 100 - 7 - 2454/3.0=1, 2460/3.7=1 HB2 GLN 55 - H GLU 49 lone 5 85 - 6 - 1.8/206=2 HG3 GLN 55 - H GLU 49 lone 5 83 - 6 - 2.9/206=2 HB2 GLU 25 - H GLU 49 lone 1 71 - 2 - Peak 725 from nnoeabs.peaks (2.02, 9.43, 121.51 ppm; 3.36 A): 3 out of 10 assignments used, quality = 0.97: HB3 GLU 49 + H GLU 49 OK 87 100 - 87 - 3.7=73, 1.8/723=14...(11) * HG2 GLU 49 + H GLU 49 OK 64 100 - 64 - 5.0=31, 3.0/723=11...(11) HB2 LEU 34 + H GLU 49 OK 41 81 - 51 - 3.0/4931=21, 4.2/4927=13...(9) HG2 PRO 84 - H GLU 49 OK 22 83 - 27 - 2.3/723=4, 2.3/6181=4...(9) HE3 LYS 68 - H GLU 49 OK 12 60 - 21 - 3.7/4955=3, 3.0/4953=3...(5) HB2 LYS 78 - H GLU 49 poor 9 78 - 11 - 1.8/723=1, 2461/3.7=1...(5) HB2 LEU 23 - H GLU 49 lone 7 100 - 7 - 2454/3.0=1, 2460/3.7=1 HB2 GLN 55 - H GLU 49 lone 5 81 - 6 - 1.8/206=2 HG3 GLN 55 - H GLU 49 lone 4 78 - 5 - 2.9/206=2 HB2 GLU 25 - H GLU 49 lone 2 76 - 2 - Peak 726 from nnoeabs.peaks (1.93, 9.43, 121.51 ppm; 3.61 A): 4 out of 10 assignments used, quality = 0.99: QE MET 48 + H GLU 49 OK 78 100 - 78 - 2445/3.6=22, 3962=19...(21) * HG3 GLU 49 + H GLU 49 OK 76 100 - 76 - 5.0=38, 1.8/2469=15...(17) HB2 GLU 33 + H GLU 49 OK 57 90 - 64 - 2044=17, 1.8/2050=12...(19) HB VAL 47 + H GLU 49 OK 45 100 - 46 - 4.4/980=9, 2.1/4955=7...(15) HG3 PRO 84 - H GLU 49 OK 28 78 - 35 - 2.3/723=5, 2.3/6181=4...(12) HG3 PRO 81 - H GLU 49 OK 22 99 - 22 - ~5296=3, 1.8/723=3...(9) HD2 LYS 78 - H GLU 49 OK 16 99 - 16 - 1.8/205=2, 2468/3.7=2...(6) HB3 GLU 22 - H GLU 49 OK 12 90 - 13 - 1.8/723=2, 2462/3.7=2...(5) HB2 LEU 76 - H GLU 49 OK 12 85 - 14 - 2429/4.7=2, 3226/4.7=1 HB VAL 20 - H GLU 49 lone 9 97 - 9 - Peak 727 from nnoeabs.peaks (9.16, 9.16, 125.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 50 + H VAL 50 OK 100 100 - 100 Peak 728 from nnoeabs.peaks (4.75, 9.16, 125.16 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 50 + H VAL 50 OK 100 100 - 100 - 3.0=100 Peak 729 from nnoeabs.peaks (1.32, 9.16, 125.16 ppm; 3.84 A): 1 out of 8 assignments used, quality = 0.95: * HB VAL 50 + H VAL 50 OK 95 100 - 95 - 4.0=89, 2.1/730=32...(8) HB2 LYS 26 - H VAL 50 OK 18 90 - 20 - 2498/4.0=4, 2493/4.0=4...(7) HG3 LYS 31 - H VAL 50 poor 10 71 - 14 - 2498/4.0=4, 218/4.7=3...(4) HG3 ARG 45 - H VAL 50 lone 7 99 - 7 - 4960/3.6=1, 2493/4.0=1 QB ALA 60 - H VAL 50 lone 6 92 - 6 - 4960/3.6=1, 5343/5028=1 HG3 LYS 91 - H VAL 50 lone 3 68 - 5 - HG2 LYS 91 - H VAL 50 lone 3 68 - 5 - QB ALA 86 - H VAL 50 lone 3 90 - 3 - Peak 730 from nnoeabs.peaks (0.70, 9.16, 125.16 ppm; 2.94 A): 3 out of 3 assignments used, quality = 0.75: * QG1 VAL 50 + H VAL 50 OK 67 100 - 67 - 4.0=39, 2.1/729=13...(12) HG3 LYS 64 + H VAL 50 OK 13 98 - 13 - 2489/4.0=2, 2499/4.0=2...(6) QD2 LEU 76 + H VAL 50 OK 13 85 - 15 - 2499/4.0=3, 2489/4.0=2...(6) Peak 731 from nnoeabs.peaks (0.26, 9.16, 125.16 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 50 + H VAL 50 OK 100 100 - 100 - 4.0=100 Peak 732 from nnoeabs.peaks (8.06, 8.06, 129.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 51 + H GLU 51 OK 100 100 - 100 Peak 733 from nnoeabs.peaks (5.29, 8.06, 129.13 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 51 + H GLU 51 OK 100 100 - 100 - 3.0=100 Peak 734 from nnoeabs.peaks (1.97, 8.06, 129.13 ppm; 3.11 A): 3 out of 16 assignments used, quality = 0.81: * HB2 GLU 51 + H GLU 51 OK 76 100 - 76 - 3.9=50, 1.8/2513=20...(10) HB2 GLU 33 + H GLU 51 OK 14 71 - 21 - 4.1/4639=6, 1.8/737=3...(7) HB2 LEU 76 + H GLU 51 OK 11 78 - 13 - 3.1/219=3, 3.0/737=1...(6) HB2 LYS 78 - H GLU 51 poor 7 68 - 11 - 2503/3.0=2, 2515/3.9=1...(6) HB2 LEU 34 - H GLU 51 lone 5 65 - 8 - ~5060=2, 2503/3.0=2, 2515/3.9=1 HG2 PRO 19 - H GLU 51 lone 4 99 - 4 - HB3 PRO 81 - H GLU 51 lone 4 100 - 4 - 3.9/1012=1 HB2 GLN 58 - H GLU 51 lone 4 99 - 4 - 5021/4.3=1 HB2 PRO 19 - H GLU 51 lone 4 96 - 4 - HB3 PRO 19 - H GLU 51 lone 3 90 - 4 - HG3 PRO 84 - H GLU 51 lone 3 85 - 3 - HB2 GLU 77 - H GLU 51 lone 3 98 - 3 - HE3 LYS 68 - H GLU 51 lone 2 85 - 3 - HG2 PRO 84 - H GLU 51 lone 2 63 - 2 - HB3 GLU 22 - H GLU 51 lone 2 71 - 2 - HB2 GLU 25 - H GLU 51 lone 1 71 - 1 - Peak 735 from nnoeabs.peaks (1.68, 8.06, 129.13 ppm; 3.23 A): 6 out of 11 assignments used, quality = 0.94: * HB3 GLU 51 + H GLU 51 OK 80 100 - 80 - 3.9=55, 1.8/2507=23...(10) HB2 LEU 30 + H GLU 51 OK 34 99 - 35 - 4581/4.3=13, 4.6/6067=9...(8) HB3 LYS 31 + H GLU 51 OK 24 89 - 27 - 3.9/6067=11, 1.8/736=4...(7) HD3 LYS 31 + H GLU 51 OK 20 97 - 20 - 5.8/6067=7, 3.0/218=4...(7) HD2 LYS 31 + H GLU 51 OK 19 96 - 20 - 5.8/6067=7, 3.0/218=4...(7) HG2 LYS 78 + H GLU 51 OK 11 87 - 13 - 2504/3.0=2, 224/4.6=2...(5) HB3 LYS 91 - H GLU 51 lone 10 100 - 10 - 2504/3.0=2, 2510/3.9=1 HB3 ARG 27 - H GLU 51 lone 8 92 - 8 - 224/4.6=1, 2504/3.0=1 HB3 LEU 73 - H GLU 51 lone 4 96 - 4 - HG3 ARG 28 - H GLU 51 lone 2 81 - 3 - HG2 ARG 28 - H GLU 51 lone 2 76 - 3 - Peak 736 from nnoeabs.peaks (1.81, 8.06, 129.13 ppm; 3.43 A): 2 out of 13 assignments used, quality = 0.95: * HG2 GLU 51 + H GLU 51 OK 78 100 - 78 - 4.9=34, 3.0/2507=20...(12) HG3 GLU 51 + H GLU 51 OK 78 100 - 78 - 4.9=34, 3.0/2507=20...(12) HB2 LYS 31 - H GLU 51 OK 31 81 - 39 - 3.9/6067=13, 4604/4.3=7...(14) HB3 GLU 33 - H GLU 51 OK 24 99 - 24 - 4.1/4639=8, 1.8/734=4...(8) HG LEU 76 - H GLU 51 OK 18 100 - 18 - 2.1/219=5, 3.0/734=2...(5) HB2 LYS 91 - H GLU 51 poor 10 92 - 11 - 1.8/735=2, 2505/3.0=1...(4) HD3 LYS 78 - H GLU 51 poor 8 73 - 12 - 2.9/735=1, 225/4.6=1...(6) HB2 LYS 44 - H GLU 51 lone 8 99 - 8 - 2506/3.0=1 HB2 MET 48 - H GLU 51 lone 6 93 - 7 - 4611/5054=1, 3958/4639=1 HB2 GLU 37 - H GLU 51 lone 5 99 - 5 - 4.4/5087=2, 3932/6067=1 HG3 GLU 37 - H GLU 51 lone 4 83 - 4 - HB2 LYS 65 - H GLU 51 lone 4 83 - 4 - HB2 ARG 28 - H GLU 51 lone 3 81 - 4 - Peak 737 from nnoeabs.peaks (1.81, 8.06, 129.13 ppm; 3.43 A): 2 out of 13 assignments used, quality = 0.95: HG2 GLU 51 + H GLU 51 OK 78 100 - 78 - 4.9=34, 3.0/2507=20...(12) * HG3 GLU 51 + H GLU 51 OK 78 100 - 78 - 4.9=34, 3.0/2507=20...(12) HB2 LYS 31 - H GLU 51 OK 30 78 - 39 - 3.9/6067=13, 4604/4.3=7...(14) HB3 GLU 33 - H GLU 51 OK 24 99 - 24 - 4.1/4639=8, 1.8/734=4...(8) HG LEU 76 - H GLU 51 OK 17 100 - 18 - 2.1/219=5, 3.0/734=2...(5) HB2 LYS 91 - H GLU 51 poor 10 90 - 10 - 1.8/735=2, 2505/3.0=1...(4) HD3 LYS 78 - H GLU 51 poor 8 71 - 12 - 2.9/735=1, 225/4.6=1...(6) HB2 LYS 44 - H GLU 51 lone 8 99 - 8 - 2506/3.0=1 HB2 MET 48 - H GLU 51 lone 6 92 - 7 - 4611/5054=1, 3958/4639=1 HB2 GLU 37 - H GLU 51 lone 5 99 - 5 - 4.4/5087=2, 3932/6067=1 HG3 GLU 37 - H GLU 51 lone 3 81 - 4 - HB2 LYS 65 - H GLU 51 lone 3 81 - 4 - HB2 ARG 28 - H GLU 51 lone 3 78 - 4 - Peak 738 from nnoeabs.peaks (9.38, 9.38, 126.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 52 + H VAL 52 OK 100 100 - 100 Peak 739 from nnoeabs.peaks (4.27, 9.38, 126.81 ppm; 3.71 A): 1 out of 7 assignments used, quality = 1.00: * HA VAL 52 + H VAL 52 OK 100 100 - 100 - 3.0=100 HA LYS 78 - H VAL 52 OK 31 92 - 34 - 2.9/5093=5, 5072/3.6=3...(16) HA LEU 85 - H VAL 52 lone 8 96 - 8 - 228/4.6=1 HA LEU 87 - H VAL 52 poor 7 63 - 11 - 228/4.6=1, ~412=1...(4) HA ALA 86 - H VAL 52 lone 3 83 - 4 - HA3 GLY 39 - H VAL 52 lone 3 100 - 3 - HA ALA 89 - H VAL 52 lone 3 85 - 3 - Peak 740 from nnoeabs.peaks (2.16, 9.38, 126.81 ppm; 3.54 A): 2 out of 3 assignments used, quality = 0.96: * HB VAL 52 + H VAL 52 OK 91 100 - 91 - 4.0=72, 2.1/741=18...(16) HG2 GLN 55 + H VAL 52 OK 55 100 - 56 - 4.9/6133=15, 2536=13...(12) HB3 MET 21 - H VAL 52 OK 13 96 - 13 - 2533/3.0=2, 754/6133=2...(5) Peak 741 from nnoeabs.peaks (0.94, 9.38, 126.81 ppm; 3.29 A): 2 out of 2 assignments used, quality = 0.98: * QG1 VAL 52 + H VAL 52 OK 86 100 - 86 - 4.0=56, 2.1/740=17...(15) QG2 VAL 52 + H VAL 52 OK 86 100 - 86 - 4.0=56, 2.1/740=17...(16) Peak 742 from nnoeabs.peaks (0.94, 9.38, 126.81 ppm; 3.29 A): 2 out of 3 assignments used, quality = 0.98: * QG2 VAL 52 + H VAL 52 OK 86 100 - 86 - 4.0=56, 2.1/740=17...(16) QG1 VAL 52 + H VAL 52 OK 86 100 - 86 - 4.0=56, 2.1/740=17...(15) QD2 LEU 23 - H VAL 52 poor 9 68 - 13 - 4480/5114=3, 5061/3.6=2...(4) Peak 743 from nnoeabs.peaks (9.15, 9.15, 127.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 53 + H ASP 53 OK 100 100 - 100 Peak 744 from nnoeabs.peaks (4.24, 9.15, 127.12 ppm; 2.45 A): 2 out of 6 assignments used, quality = 0.77: * HA ASP 53 + H ASP 53 OK 72 100 - 72 - 2.9=59, 3.6/232=8...(8) HA LEU 30 + H ASP 53 OK 19 96 - 20 - 6132=5, 4.0/5133=3...(6) HA LEU 87 - H ASP 53 lone 10 99 - 10 - 2551=2, 6130/3.6=1 HA LYS 78 - H ASP 53 lone 4 85 - 4 - HA LEU 85 - H ASP 53 lone 3 78 - 4 - HA ALA 89 - H ASP 53 lone 1 92 - 1 - Peak 745 from nnoeabs.peaks (2.90, 9.15, 127.12 ppm; 3.92 A): 1 out of 8 assignments used, quality = 0.96: * HB2 ASP 53 + H ASP 53 OK 96 100 - 96 - 4.1=90, 3.0/744=28...(8) HB3 PHE 80 - H ASP 53 OK 13 95 - 14 - 5125/4.3=3, 5125/4.3=3...(6) HB2 ASN 24 - H ASP 53 lone 5 71 - 7 - 2555=1 HE3 LYS 65 - H ASP 53 lone 4 96 - 5 - HE2 LYS 65 - H ASP 53 lone 4 90 - 4 - HB2 ASN 63 - H ASP 53 lone 3 89 - 4 - HE3 LYS 14 - H ASP 53 lone 3 95 - 3 - HE2 LYS 14 - H ASP 53 lone 2 90 - 3 - Peak 746 from nnoeabs.peaks (2.78, 9.15, 127.12 ppm; 4.04 A): 1 out of 3 assignments used, quality = 0.99: * HB3 ASP 53 + H ASP 53 OK 99 100 - 99 - 4.1=98, 1.8/745=29...(9) HB3 PHE 57 - H ASP 53 OK 26 81 - 33 - 4.0/985=8, 5126/4.3=4...(10) HE3 LYS 56 - H ASP 53 poor 9 60 - 15 - 235/4.6=2, 5177/5143=1 Peak 747 from nnoeabs.peaks (8.78, 8.78, 103.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 54 + H GLY 54 OK 100 100 - 100 Peak 748 from nnoeabs.peaks (3.64, 8.78, 103.19 ppm; 2.88 A): 1 out of 2 assignments used, quality = 0.94: * HA2 GLY 54 + H GLY 54 OK 94 100 - 94 - 3.0=93, 3.6/986=17 HA VAL 66 - H GLY 54 lone 4 63 - 6 - 2567/3.0=1 Peak 749 from nnoeabs.peaks (4.07, 8.78, 103.19 ppm; 3.05 A): 1 out of 3 assignments used, quality = 1.00: * HA3 GLY 54 + H GLY 54 OK 100 100 - 100 - 3.0=100 HA3 GLY 61 - H GLY 54 OK 16 97 - 16 - 2566=6, 2565/3.0=4...(7) HA2 GLY 59 - H GLY 54 lone 3 99 - 3 - Peak 750 from nnoeabs.peaks (8.02, 8.02, 121.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 55 + H GLN 55 OK 100 100 - 100 Peak 751 from nnoeabs.peaks (4.42, 8.02, 121.22 ppm; 3.35 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 55 + H GLN 55 OK 100 100 - 100 - 2.9=100 HA ARG 28 - H GLN 55 OK 12 97 - 13 - 2586/3.9=2, 2578/3.9=2...(6) HA TYR 70 - H GLN 55 poor 10 83 - 12 - 2586/3.9=2, 2578/3.9=2...(5) HA PRO 81 - H GLN 55 lone 8 100 - 8 - 240/4.6=1, 2578/3.9=1 HA3 GLY 59 - H GLN 55 lone 3 60 - 5 - 1.8/238=1 Peak 752 from nnoeabs.peaks (2.04, 8.02, 121.22 ppm; 2.90 A): 3 out of 9 assignments used, quality = 0.93: * HB2 GLN 55 + H GLN 55 OK 74 100 - 74 - 3.9=40, 2.9/2601=15...(13) HG3 GLN 55 + H GLN 55 OK 69 100 - 69 - 4.9=21, 2.9/2577=15...(12) HB2 MET 21 + H GLN 55 OK 12 81 - 15 - 1.8/754=4, 2571/2.9=2...(6) QE MET 21 - H GLN 55 lone 8 85 - 9 - 1544/4.9=2, 4.2/754=2...(4) HA ALA 75 - H GLN 55 lone 8 92 - 8 - 5746/4.6=2, 4235/5184=1 HB3 GLU 49 - H GLN 55 lone 7 85 - 8 - 4.3/5197=2, 4938/4.6=1 HG2 GLU 49 - H GLN 55 lone 6 81 - 7 - 4936/4.6=2, 3966/5143=1 HB2 LEU 23 - H GLN 55 lone 3 81 - 4 - HG3 GLU 33 - H GLN 55 lone 2 76 - 3 - Peak 753 from nnoeabs.peaks (1.75, 8.02, 121.22 ppm; 3.27 A): 3 out of 10 assignments used, quality = 0.91: * HB3 GLN 55 + H GLN 55 OK 87 100 - 87 - 3.9=57, 1.8/2577=24...(12) HB3 LYS 65 + H GLN 55 OK 17 93 - 18 - 2585=5, 2586/2.9=4...(6) HB2 LEU 73 + H GLN 55 OK 14 100 - 14 - 4206/2.9=3, 3.1/5169=2...(5) HB3 ARG 28 - H GLN 55 poor 10 89 - 11 - 3.0/751=2, 2572/2.9=2 HB3 MET 48 - H GLN 55 lone 7 100 - 7 - 2572/2.9=1, 2580/3.9=1 QE MET 11 - H GLN 55 lone 6 85 - 7 - 4247/6.8=1 HB2 ARG 27 - H GLN 55 lone 6 68 - 9 - QB ALA 74 - H GLN 55 lone 6 68 - 8 - 242/4.6=1 HB2 LYS 17 - H GLN 55 lone 4 63 - 6 - 4.6/236=1 HB3 LYS 17 - H GLN 55 lone 4 60 - 6 - 4.6/236=1 Peak 754 from nnoeabs.peaks (2.17, 8.02, 121.22 ppm; 3.37 A): 2 out of 3 assignments used, quality = 0.96: * HG2 GLN 55 + H GLN 55 OK 87 100 - 87 - 4.9=32, 1.8/2601=27...(17) HB VAL 52 + H GLN 55 OK 70 100 - 70 - 4.0/5198=19, 2593=15...(16) HB3 MET 21 - H GLN 55 OK 26 90 - 29 - 2573/2.9=5, 2589/3.9=4...(12) Peak 755 from nnoeabs.peaks (2.04, 8.02, 121.22 ppm; 2.90 A): 3 out of 11 assignments used, quality = 0.93: HB2 GLN 55 + H GLN 55 OK 74 100 - 74 - 3.9=40, 2.9/2601=15...(13) * HG3 GLN 55 + H GLN 55 OK 69 100 - 69 - 4.9=21, 2.9/2577=15...(12) HB2 MET 21 + H GLN 55 OK 12 83 - 15 - 1.8/754=4, 2571/2.9=2...(6) QE MET 21 - H GLN 55 lone 8 87 - 10 - 1544/4.9=2, 4.2/754=2...(4) HA ALA 75 - H GLN 55 lone 8 93 - 9 - 5746/4.6=2, 4235/5184=1 HB3 GLU 49 - H GLN 55 lone 7 83 - 8 - 4.3/5197=2, 4938/4.6=1 HG2 GLU 49 - H GLN 55 lone 6 78 - 7 - 4936/4.6=2 HB3 GLU 77 - H GLN 55 lone 4 60 - 6 - 4.1/5184=3, ~6049=1 HB2 LEU 23 - H GLN 55 lone 3 78 - 4 - HG3 GLU 33 - H GLN 55 lone 2 78 - 3 - HG2 GLU 22 - H GLN 55 lone 1 60 - 2 - Peak 757 from nnoeabs.peaks (7.54, 8.02, 121.22 ppm; 4.97 A): 3 out of 4 assignments used, quality = 0.95: * HE22 GLN 55 + H GLN 55 OK 92 100 - 92 - 490=48, 3.5/2601=38...(10) H ALA 69 + H GLN 55 OK 23 90 - 26 - 2584/3.9=4, 2608/4.9=3...(8) H ASN 63 + H GLN 55 OK 16 92 - 17 - 5386/3.6=3, 4.0/5178=2...(6) H SER 36 - H GLN 55 lone 6 71 - 8 - 490=2, 2584/3.9=1 Peak 758 from nnoeabs.peaks (8.20, 8.20, 120.64 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H LYS 56 + H LYS 56 OK 100 100 - 100 H GLU 22 - H GLU 22 OK 22 22 - 100 Peak 759 from nnoeabs.peaks (4.66, 8.20, 120.64 ppm; 3.65 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 56 + H LYS 56 OK 100 100 - 100 - 3.0=100 HA PHE 57 + H LYS 56 OK 52 98 - 54 - 248/4.6=9, 2630/4.0=7...(20) HA ASN 90 - H LYS 56 OK 23 99 - 23 - 2630/4.0=3, 2620/4.0=3...(10) HA GLU 33 - H LYS 56 poor 9 60 - 16 - 3.6/988=4, 3911/4.6=2...(5) HA LYS 56 - H GLU 22 poor 6 48 - 12 - 3.0/2619=2, 2609=2...(5) HA ASN 90 - H GLU 22 lone 2 45 - 5 - 3679/4.6=2, ~3847=1 HA PHE 57 - H GLU 22 lone 1 44 - 3 - HA GLU 33 - H GLU 22 lone 1 22 - 6 - HA HIS 42 - H LYS 56 lone 1 60 - 1 - HA HIS 42 - H GLU 22 lone 0 22 - 1 - Peak 760 from nnoeabs.peaks (1.50, 8.20, 120.64 ppm; 2.96 A): 6 out of 26 assignments used, quality = 0.90: * HB2 LYS 56 + H LYS 56 OK 71 100 - 71 - 4.0=40, 1.8/761=11...(18) HG LEU 34 + H LYS 56 OK 26 93 - 28 - 2.1/762=6, 2094/4.7=3...(11) HD3 LYS 17 + H LYS 56 OK 21 99 - 22 - 3.0/763=3, 2611/3.0=2...(6) HD2 LYS 17 + H LYS 56 OK 21 99 - 22 - 3.0/763=3, 2611/3.0=2...(6) HG LEU 79 + H LYS 56 OK 16 68 - 23 - 2.1/3412=4, 2.1/3405=4...(7) QB ALA 72 + H LYS 56 OK 11 99 - 11 - 5173/3.6=2, 6102/4.6=1 QB ALA 71 - H LYS 56 poor 9 85 - 10 - 5651/3.6=1 HG3 ARG 27 - H LYS 56 lone 8 89 - 9 - HB2 LEU 85 - H LYS 56 lone 6 96 - 7 - HB2 LYS 56 - H GLU 22 poor 6 48 - 13 - 2619=2, 6122/3.0=2, 6121/4.0=1 QB ALA 72 - H GLU 22 poor 6 45 - 12 - 4201/3.0=3, 6121/4.0=1 HB3 LYS 26 - H LYS 56 lone 5 89 - 6 - HG2 GLU 37 - H LYS 56 lone 5 100 - 5 - HD3 LYS 64 - H LYS 56 lone 4 76 - 6 - 2879/4.0=1 HD2 LYS 17 - H GLU 22 lone 4 45 - 9 - 6122/3.0=1 HD3 LYS 17 - H GLU 22 lone 4 45 - 9 - 6122/3.0=1 HG LEU 34 - H GLU 22 lone 2 40 - 6 - HB2 ARG 45 - H LYS 56 lone 2 99 - 2 - HG2 GLU 37 - H GLU 22 lone 2 48 - 4 - HB2 LEU 85 - H GLU 22 lone 2 42 - 4 - HB3 LYS 26 - H GLU 22 lone 2 37 - 4 - HG LEU 79 - H GLU 22 lone 1 26 - 6 - 6122/3.0=1, 4467/4.6=1 QB ALA 71 - H GLU 22 lone 1 35 - 4 - HD3 LYS 64 - H GLU 22 lone 1 30 - 3 - HG3 ARG 27 - H GLU 22 lone 1 37 - 1 - HB2 ARG 45 - H GLU 22 lone 0 45 - 1 - Peak 761 from nnoeabs.peaks (1.38, 8.20, 120.64 ppm; 3.17 A): 4 out of 22 assignments used, quality = 0.94: * HB3 LYS 56 + H LYS 56 OK 78 100 - 78 - 4.0=50, 1.8/2619=13...(17) HD3 LYS 56 + H LYS 56 OK 61 92 - 66 - 5.8=16, 3.0/762=11...(18) HG2 LYS 44 + H LYS 56 OK 24 99 - 24 - 2612/3.0=3, 2622/4.0=3...(10) HG2 LYS 68 + H LYS 56 OK 12 97 - 12 - 3056/4.7=2, 2612/3.0=2...(6) HB2 LYS 64 - H LYS 56 lone 7 90 - 7 - 2612/3.0=1, 2622/4.0=1 HB3 LEU 12 - H LYS 56 lone 6 100 - 6 - QB ALA 69 - H LYS 56 lone 6 99 - 6 - 5174/3.6=1 QB ALA 67 - H LYS 56 lone 6 99 - 6 - 5507/4.7=1 HB3 LYS 56 - H GLU 22 poor 5 48 - 10 - 1.8/2619=2, ~6122=1...(4) QB ALA 69 - H GLU 22 lone 3 46 - 7 - 3117/3.0=2, 5574/4.0=1 HD3 LYS 56 - H GLU 22 lone 3 39 - 8 - 3.0/2639=1, 3.4/2619=1 QB ALA 89 - H LYS 56 lone 1 78 - 2 - HG3 LYS 91 - H LYS 56 lone 1 65 - 2 - HG2 LYS 91 - H LYS 56 lone 1 65 - 2 - HB3 LEU 12 - H GLU 22 lone 1 47 - 2 - HG2 LYS 44 - H GLU 22 lone 1 45 - 2 - HB2 LYS 64 - H GLU 22 lone 1 38 - 2 - HG2 LYS 68 - H GLU 22 lone 1 44 - 2 - QB ALA 67 - H GLU 22 lone 0 46 - 1 - QB ALA 89 - H GLU 22 lone 0 31 - 1 - HG2 LYS 91 - H GLU 22 lone 0 25 - 1 - HG3 LYS 91 - H GLU 22 lone 0 25 - 1 - Peak 762 from nnoeabs.peaks (1.07, 8.20, 120.64 ppm; 3.64 A): 3 out of 8 assignments used, quality = 0.92: * HG2 LYS 56 + H LYS 56 OK 84 100 - 84 - 4.7=46, 2613/3.0=14...(16) QD2 LEU 34 + H LYS 56 OK 47 99 - 48 - 2613/3.0=9, 2623/4.0=8...(14) QG2 THR 38 + H LYS 56 OK 10 96 - 10 - 4789/4.0=2, 2613/3.0=2 QG2 VAL 66 - H LYS 56 poor 9 68 - 13 - 2633/4.0=2, 2613/3.0=2...(5) HG2 LYS 56 - H GLU 22 poor 8 48 - 16 - 4453/4.0=3, 2639=2...(7) QG2 THR 38 - H GLU 22 poor 4 42 - 10 - 4453/4.0=3, 4450/4.0=2...(4) QD2 LEU 34 - H GLU 22 lone 4 46 - 8 - 4453/4.0=2, 4450/4.0=2 QG2 VAL 66 - H GLU 22 lone 1 26 - 4 - 3009/4.0=1 Peak 763 from nnoeabs.peaks (1.28, 8.20, 120.64 ppm; 3.36 A): 7 out of 18 assignments used, quality = 0.93: * HG3 LYS 56 + H LYS 56 OK 77 100 - 77 - 4.7=36, 1.8/762=16...(17) HG3 LYS 17 + H LYS 56 OK 29 98 - 30 - 2624/4.0=3, 2614/3.0=3...(13) HD3 LYS 44 + H LYS 56 OK 24 97 - 25 - 2634/4.0=3, 2624/4.0=3...(11) HB2 LEU 79 + H LYS 56 OK 20 63 - 32 - 1.8/3391=5, 3.1/3405=5...(8) HG3 LYS 65 + H LYS 56 OK 14 90 - 15 - 3.0/242=3, 2649=2...(7) HB3 LYS 68 + H LYS 56 OK 13 95 - 14 - 2634/4.0=2, 2624/4.0=2...(5) HB3 LEU 23 + H LYS 56 OK 10 83 - 12 - HG3 LYS 31 - H LYS 56 lone 8 83 - 10 - 2624/4.0=1, 2634/4.0=1...(4) HG3 LYS 56 - H GLU 22 poor 5 48 - 11 - 1.8/2639=2, 2.9/2619=1, ~6122=1 HG3 LYS 17 - H GLU 22 lone 4 44 - 10 - ~6202=2, 2.9/4314=1, 2.9/4314=1 HB3 LEU 23 - H GLU 22 poor 4 34 - 13 - 3.9/71=6, 4.6/1032=4, ~4164=1 HB2 LYS 26 - H LYS 56 lone 4 60 - 7 - 1.8/764=1 HB2 LEU 79 - H GLU 22 lone 1 24 - 6 - 587/4.6=2 HG3 LYS 65 - H GLU 22 lone 1 38 - 3 - HD3 LYS 44 - H GLU 22 lone 1 43 - 2 - HB3 LYS 68 - H GLU 22 lone 1 41 - 2 - HG3 LYS 31 - H GLU 22 lone 1 34 - 2 - HB2 LYS 26 - H GLU 22 lone 0 22 - 2 - Peak 764 from nnoeabs.peaks (1.53, 8.20, 120.64 ppm; 3.22 A): 8 out of 26 assignments used, quality = 0.91: * HD2 LYS 56 + H LYS 56 OK 66 100 - 66 - 5.8=17, 3.0/762=11...(16) HG LEU 34 + H LYS 56 OK 28 89 - 32 - 2.1/762=8, ~2613=4...(12) HB3 LYS 44 + H LYS 56 OK 23 98 - 23 - 6081/3.0=3, 2270/4.0=3...(9) HD2 LYS 17 + H LYS 56 OK 18 76 - 24 - 3.0/763=3, 2625/4.0=2...(12) HD3 LYS 17 + H LYS 56 OK 18 76 - 24 - 3.0/763=3, 2625/4.0=2...(12) QB ALA 71 + H LYS 56 OK 14 96 - 14 - 5651/3.6=2, 253/4.6=1...(5) HB3 LEU 87 + H LYS 56 OK 11 100 - 11 - 3633=2, 1.8/3626=1, 4.2/414=1 HG3 ARG 27 + H LYS 56 OK 10 93 - 11 - 2625/4.0=1 HD3 LYS 64 - H LYS 56 lone 9 99 - 9 - 2879/4.0=2, 2625/4.0=1 HB2 LEU 85 - H LYS 56 lone 7 85 - 8 - 3633=1, 4.3/1014=1 HB3 LYS 26 - H LYS 56 lone 7 93 - 7 - HG LEU 30 - H LYS 56 lone 6 99 - 6 - HD2 LYS 56 - H GLU 22 lone 4 48 - 9 - 3.0/2639=1, 3.4/2619=1 HD2 LYS 17 - H GLU 22 lone 2 30 - 8 - 3.7/4314=1, 3.7/4314=1, ~6122=1 HD3 LYS 17 - H GLU 22 lone 2 30 - 8 - 3.7/4314=1, 3.7/4314=1, ~6122=1 QB ALA 71 - H GLU 22 lone 2 42 - 5 - HD3 LYS 64 - H GLU 22 lone 2 45 - 3 - 5439/4.0=1 HB3 LYS 26 - H GLU 22 lone 2 40 - 4 - HG LEU 34 - H GLU 22 lone 2 37 - 4 - HB2 ARG 45 - H LYS 56 lone 1 76 - 2 - HB3 LYS 44 - H GLU 22 lone 1 44 - 2 - HG LEU 30 - H GLU 22 lone 1 45 - 2 - HB2 LEU 85 - H GLU 22 lone 1 35 - 2 - HB3 LEU 87 - H GLU 22 lone 1 48 - 1 - HG3 ARG 27 - H GLU 22 lone 1 40 - 2 - HB2 ARG 45 - H GLU 22 lone 0 30 - 1 - Peak 765 from nnoeabs.peaks (1.39, 8.20, 120.64 ppm; 3.31 A): 2 out of 22 assignments used, quality = 0.93: HB3 LYS 56 + H LYS 56 OK 76 92 - 83 - 4.0=57, 1.8/2619=14...(17) * HD3 LYS 56 + H LYS 56 OK 70 100 - 70 - 5.8=19, 3.0/762=12...(19) HG2 LYS 44 - H LYS 56 OK 18 76 - 24 - 2612/3.0=3, 2622/4.0=3...(9) HB3 LEU 34 - H LYS 56 OK 17 60 - 28 - 3.1/762=6, 3.0/764=3...(11) HD2 LYS 44 - H LYS 56 OK 12 63 - 20 - 1.8/763=4, 2300/4.0=2...(10) HG2 LYS 68 - H LYS 56 poor 9 71 - 12 - 2.9/763=2, 2612/3.0=2...(6) HG2 LYS 31 - H LYS 56 lone 7 92 - 8 - 1.8/763=1 HG2 ARG 27 - H LYS 56 lone 7 71 - 9 - 1.8/764=2, 2626/4.0=1 QB ALA 69 - H LYS 56 lone 6 99 - 6 - 5174/3.6=1 HB3 LEU 12 - H LYS 56 lone 6 89 - 6 - QB ALA 67 - H LYS 56 lone 4 78 - 6 - 5507/4.7=1 HB3 LYS 56 - H GLU 22 poor 4 39 - 11 - 1.8/2619=2, ~6122=2...(4) HD3 LYS 56 - H GLU 22 lone 4 48 - 9 - 3.0/2639=1, 3.4/2619=1 QB ALA 69 - H GLU 22 lone 3 45 - 8 - 3117/3.0=2, 5574/4.0=1 HB3 LEU 34 - H GLU 22 lone 1 22 - 4 - HB3 LEU 12 - H GLU 22 lone 1 37 - 2 - HG2 LYS 44 - H GLU 22 lone 1 30 - 2 - HG2 LYS 31 - H GLU 22 lone 0 39 - 1 - HG2 LYS 68 - H GLU 22 lone 0 27 - 2 - HD2 LYS 44 - H GLU 22 lone 0 24 - 1 - HG2 ARG 27 - H GLU 22 lone 0 27 - 1 - QB ALA 67 - H GLU 22 lone 0 31 - 1 - Peak 766 from nnoeabs.peaks (2.82, 8.20, 120.64 ppm; 4.60 A): 3 out of 8 assignments used, quality = 0.99: * HE2 LYS 56 + H LYS 56 OK 82 100 - 82 - 7.4=24, 3.6/762=18...(20) HE3 LYS 56 + H LYS 56 OK 82 100 - 82 - 7.4=24, 3.6/762=18...(20) HB3 PHE 57 + H LYS 56 OK 61 96 - 64 - 4.0/988=11, 3.0/759=11...(18) HB2 ASN 90 - H LYS 56 OK 26 90 - 29 - 3686/3.0=6, ~3692=5...(9) HE2 LYS 56 - H GLU 22 poor 6 48 - 12 - 3.6/2639=2, 4.8/2619=2...(5) HE3 LYS 56 - H GLU 22 poor 6 47 - 12 - 3.6/2639=2, 4.8/2619=2...(5) HB3 PHE 57 - H GLU 22 lone 2 42 - 5 - HB2 ASN 90 - H GLU 22 lone 2 38 - 5 - 3685/4.6=1 Peak 767 from nnoeabs.peaks (2.81, 8.20, 120.64 ppm; 4.60 A): 3 out of 10 assignments used, quality = 0.99: * HE3 LYS 56 + H LYS 56 OK 82 100 - 83 - 7.4=24, 3.6/762=18...(20) HE2 LYS 56 + H LYS 56 OK 82 100 - 82 - 7.4=24, 3.6/762=18...(20) HB3 PHE 57 + H LYS 56 OK 64 99 - 65 - 4.0/988=11, 3.0/759=11...(18) HB2 ASN 90 - H LYS 56 OK 24 83 - 29 - 3686/3.0=6, ~3692=5...(9) HB3 ASP 53 - H LYS 56 OK 14 60 - 24 - 5144/4.6=10, 4.6/988=5...(6) HE3 LYS 56 - H GLU 22 poor 6 48 - 12 - 3.6/2639=2, 4.8/2619=2...(5) HE2 LYS 56 - H GLU 22 poor 6 47 - 12 - 3.6/2639=2, 4.8/2619=2...(5) HB3 PHE 57 - H GLU 22 lone 2 45 - 5 - HB2 ASN 90 - H GLU 22 lone 2 34 - 5 - 3685/4.6=1 HB3 ASP 53 - H GLU 22 lone 1 22 - 3 - Peak 768 from nnoeabs.peaks (8.80, 8.80, 121.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H PHE 57 + H PHE 57 OK 100 100 - 100 H ASN 18 + H ASN 18 OK 47 47 - 100 Peak 769 from nnoeabs.peaks (4.65, 8.80, 121.50 ppm; 2.85 A): 2 out of 12 assignments used, quality = 0.99: * HA PHE 57 + H PHE 57 OK 95 100 - 95 - 2.9=92, 3.7/773=11...(9) HA LYS 56 + H PHE 57 OK 71 98 - 73 - 3.6=51, 6052/5243=5...(20) HA GLU 33 - H PHE 57 OK 22 83 - 26 - 3911=7, 3.0/3912=4...(6) HA ASN 90 - H PHE 57 OK 11 89 - 12 - 2630/4.6=2, 2620/4.6=2...(4) HA LYS 56 - H ASN 18 poor 9 51 - 18 - 3991=4, 3.0/3992=2...(6) HA PHE 57 - H ASN 18 poor 6 55 - 12 - 2699=2, 3.7/4649=2...(4) HA GLU 33 - H ASN 18 poor 6 39 - 14 - 3911=4, 3.0/3912=2...(6) HA ASN 24 - H ASN 18 lone 2 32 - 6 - HA ASN 24 - H PHE 57 lone 1 71 - 1 - HA HIS 42 - H PHE 57 lone 1 83 - 1 - HA ASN 90 - H ASN 18 lone 1 43 - 2 - HA HIS 42 - H ASN 18 lone 0 39 - 1 - Peak 770 from nnoeabs.peaks (3.17, 8.80, 121.50 ppm; 3.77 A): 1 out of 10 assignments used, quality = 0.94: * HB2 PHE 57 + H PHE 57 OK 94 100 - 94 - 4.0=81, 2.5/773=29...(12) HD3 PRO 81 - H PHE 57 OK 20 98 - 20 - 2701/2.9=4, 259/4.6=4...(7) HD2 ARG 27 - H PHE 57 OK 17 85 - 21 - 2701/2.9=4, 4566/4.4=3...(8) HB2 PHE 80 - H PHE 57 OK 17 95 - 18 - 4566/4.4=4, 2701/2.9=4...(5) HD2 ARG 28 - H PHE 57 lone 9 100 - 9 - 2701/2.9=2, 2725/4.4=1 HB2 PHE 57 - H ASN 18 poor 8 55 - 15 - 2.5/4649=4, 3.0/2699=3...(5) HD3 PRO 81 - H ASN 18 lone 3 51 - 7 - 5916/4.8=5 HD2 ARG 27 - H ASN 18 lone 2 41 - 4 - HB2 PHE 80 - H ASN 18 lone 1 48 - 2 - HD2 ARG 28 - H ASN 18 lone 1 54 - 1 - Peak 771 from nnoeabs.peaks (2.80, 8.80, 121.50 ppm; 3.39 A): 3 out of 10 assignments used, quality = 0.97: * HB3 PHE 57 + H PHE 57 OK 85 100 - 85 - 4.0=59, 2.5/773=24...(15) HE3 LYS 56 + H PHE 57 OK 56 99 - 57 - 2702/2.9=6, 3.6/251=5...(23) HE2 LYS 56 + H PHE 57 OK 54 96 - 56 - 2702/2.9=6, 3.6/251=5...(22) HB3 ASP 53 - H PHE 57 OK 17 81 - 21 - 4.1/5237=6, 3.0/3981=3...(7) HE3 LYS 56 - H ASN 18 poor 10 52 - 19 - 3.6/3994=3, 4.8/3992=2...(9) HE2 LYS 56 - H ASN 18 poor 9 49 - 19 - 3.6/3994=3, 4.8/3992=2...(9) HB2 ASN 90 - H PHE 57 poor 8 63 - 13 - 3686/3.6=2, 3.0/248=2...(7) HB3 PHE 57 - H ASN 18 poor 7 55 - 13 - 2.5/4649=3, 3.0/2699=3...(5) HB3 ASP 53 - H ASN 18 lone 2 38 - 6 - 4.1/985=2, 3.0/3981=1 HB2 ASN 90 - H ASN 18 lone 1 28 - 2 - Peak 773 from nnoeabs.peaks (7.16, 8.80, 121.50 ppm; 3.35 A): 2 out of 4 assignments used, quality = 0.82: * QD PHE 57 + H PHE 57 OK 80 100 - 80 - 4.4=45, 2704/2.9=22...(15) HD2 HIS 15 + H PHE 57 OK 12 98 - 12 - 2704/2.9=3, 2710/4.0=2...(4) QD PHE 57 - H ASN 18 poor 8 55 - 15 - 4649=4, 3.7/2699=2...(4) HD2 HIS 15 - H ASN 18 lone 1 51 - 1 - Peak 774 from nnoeabs.peaks (8.64, 8.64, 119.55 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H GLN 58 + H GLN 58 OK 100 100 - 100 H VAL 47 - H VAL 47 OK 35 35 - 100 Peak 775 from nnoeabs.peaks (5.81, 8.64, 119.55 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 58 + H GLN 58 OK 100 100 - 100 - 3.0=100 HA GLN 58 - H VAL 47 OK 30 45 - 66 - 2729=17, 4899/4.7=15...(14) Peak 776 from nnoeabs.peaks (1.96, 8.64, 119.55 ppm; 3.33 A): 6 out of 26 assignments used, quality = 0.95: * HB2 GLN 58 + H GLN 58 OK 84 100 - 84 - 4.0=55, 1.8/2745=19...(12) HB3 PRO 81 + H GLN 58 OK 40 98 - 41 - 2738/3.0=8, 2737=7...(14) HB2 GLN 58 + H VAL 47 OK 18 45 - 40 - 1.8/2745=9, 2.9/2729=8...(7) HB2 GLU 33 + H GLN 58 OK 15 87 - 17 - 3912/4.6=3, 2045/3.6=2...(5) HG3 PRO 84 + H GLN 58 OK 13 96 - 14 - 2731/3.0=2, 2.3/779=2...(6) HG2 PRO 19 + H GLN 58 OK 10 100 - 10 - 2731/3.0=2, 2747/4.0=1 HB3 PRO 81 - H VAL 47 poor 9 42 - 22 - 2737=3, ~5914=3, ~5913=3...(10) HB2 PRO 19 - H GLN 58 lone 8 85 - 10 - ~5272=1, 2731/3.0=1, 2747/4.0=1 HB2 LEU 76 - H GLN 58 lone 7 92 - 8 - 3.1/5267=2 HB3 PRO 19 - H GLN 58 lone 7 76 - 9 - ~5272=1, 2731/3.0=1 HB2 GLU 51 - H GLN 58 lone 7 99 - 7 - 5069/4.7=2 HB VAL 20 - H GLN 58 lone 6 76 - 8 - 2738/3.0=2, 2747/4.0=1...(4) HB3 GLU 22 - H GLN 58 lone 4 87 - 5 - HB2 GLU 33 - H VAL 47 poor 4 34 - 11 - 4654/3.9=3, 4654/3.9=2 HB2 LEU 76 - H VAL 47 lone 3 37 - 8 - ~5789=2, 6173/3.9=1, 6173/3.9=1 HB2 GLU 77 - H GLN 58 lone 2 100 - 2 - HE3 LYS 68 - H GLN 58 lone 2 68 - 2 - HG3 PRO 84 - H VAL 47 lone 2 40 - 4 - HG2 PRO 19 - H VAL 47 lone 1 45 - 3 - HB2 GLU 51 - H VAL 47 lone 1 43 - 2 - HE3 LYS 68 - H VAL 47 lone 1 25 - 3 - HB VAL 20 - H VAL 47 lone 1 28 - 3 - HB3 GLU 22 - H VAL 47 lone 1 34 - 2 - HB2 PRO 19 - H VAL 47 lone 1 33 - 2 - HB3 PRO 19 - H VAL 47 lone 1 28 - 2 - HB2 GLU 77 - H VAL 47 lone 0 45 - 1 - Peak 777 from nnoeabs.peaks (1.89, 8.64, 119.55 ppm; 3.49 A): 2 out of 14 assignments used, quality = 0.93: * HB3 GLN 58 + H GLN 58 OK 88 100 - 88 - 4.0=64, 2.9/778=18...(12) HB ILE 35 + H GLN 58 OK 40 87 - 46 - ~4728=7, 4.4/4769=6...(15) HB3 GLN 58 - H VAL 47 OK 22 45 - 49 - 2745=12, 2.9/2729=9...(10) HG3 PRO 81 - H GLN 58 OK 21 60 - 35 - 2.3/2737=6, 2.3/259=5...(11) HB ILE 35 - H VAL 47 OK 15 34 - 43 - 4.4/4769=11, 3.9/4703=7...(11) HB3 MET 11 - H GLN 58 OK 12 100 - 11 - 2732/3.0=2, 2764/4.9=1...(5) HB2 MET 11 - H GLN 58 OK 12 100 - 11 - 2732/3.0=2, 2764/4.9=1...(5) HG3 PRO 19 - H GLN 58 lone 7 73 - 9 - 2732/3.0=2, ~2731=1, 266/4.7=1 HB3 LYS 78 - H GLN 58 lone 5 81 - 7 - HG3 PRO 81 - H VAL 47 poor 5 21 - 23 - ~5914=4, ~5908=4...(7) HG3 PRO 19 - H VAL 47 lone 1 27 - 5 - HB2 MET 11 - H VAL 47 lone 1 45 - 2 - HB3 MET 11 - H VAL 47 lone 1 45 - 2 - HB3 LYS 78 - H VAL 47 lone 1 31 - 3 - Peak 778 from nnoeabs.peaks (2.39, 8.64, 119.55 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.94: * HG2 GLN 58 + H GLN 58 OK 94 100 - 94 - 4.9=53, 2754/3.0=32...(15) HG2 GLN 58 - H VAL 47 OK 29 45 - 64 - 2753=17, 6193/3.9=14...(11) Peak 779 from nnoeabs.peaks (2.27, 8.64, 119.55 ppm; 4.51 A): 2 out of 8 assignments used, quality = 0.99: * HG3 GLN 58 + H GLN 58 OK 98 100 - 98 - 4.9=77, 2762/3.0=40...(15) HB2 PRO 81 + H GLN 58 OK 52 85 - 62 - 2734/3.0=11, 1.8/2737=10...(15) HG3 GLN 58 - H VAL 47 OK 30 45 - 67 - 2761=17, 1.8/2753=16...(13) HB2 PRO 84 - H GLN 58 OK 27 83 - 32 - 2734/3.0=6, 2750/4.0=5...(11) HG3 MET 11 - H GLN 58 OK 14 71 - 19 - 2734/3.0=3, 2750/4.0=2...(8) HB2 PRO 81 - H VAL 47 OK 12 33 - 37 - ~5914=7, ~5908=6...(12) HB2 PRO 84 - H VAL 47 poor 5 32 - 16 - 6192/3.9=4, 6192/3.9=2...(4) HG3 MET 11 - H VAL 47 lone 2 26 - 6 - 6192/3.9=1 Peak 782 from nnoeabs.peaks (8.84, 8.84, 107.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 59 + H GLY 59 OK 100 100 - 100 Peak 783 from nnoeabs.peaks (4.06, 8.84, 107.36 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * HA2 GLY 59 + H GLY 59 OK 100 100 - 100 - 3.0=100 HA3 GLY 61 - H GLY 59 OK 25 90 - 27 - 4.9/5343=11, 272/4.6=5...(8) HA3 GLY 54 - H GLY 59 lone 8 99 - 7 - 2773/3.0=2, 272/4.6=1 Peak 784 from nnoeabs.peaks (4.45, 8.84, 107.36 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * HA3 GLY 59 + H GLY 59 OK 100 100 - 100 - 3.0=100 HA LYS 17 - H GLY 59 OK 18 100 - 17 - 2771/3.0=4, 5274/3.6=3...(7) HA GLN 55 - H GLY 59 lone 4 60 - 6 - Peak 785 from nnoeabs.peaks (8.31, 8.31, 123.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 60 + H ALA 60 OK 100 100 - 100 Peak 786 from nnoeabs.peaks (6.08, 8.31, 123.52 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 60 + H ALA 60 OK 100 100 - 100 - 3.0=100 Peak 787 from nnoeabs.peaks (1.31, 8.31, 123.52 ppm; 2.87 A): 1 out of 7 assignments used, quality = 0.98: * QB ALA 60 + H ALA 60 OK 98 100 - 98 - 2.9=97, 5363/3.5=10...(10) HG3 ARG 45 - H ALA 60 lone 9 99 - 9 - 2777/3.0=2, ~5367=1...(4) HB2 LYS 26 - H ALA 60 lone 8 100 - 8 - 2777/3.0=2 HB3 LYS 68 - H ALA 60 lone 7 89 - 7 - 2777/3.0=1 HG3 LYS 31 - H ALA 60 lone 5 97 - 5 - 3.6/5355=1 HB VAL 50 - H ALA 60 lone 5 92 - 5 - 5329/3.5=1, 5323/3.5=1 HD3 LYS 44 - H ALA 60 lone 4 85 - 4 - Peak 788 from nnoeabs.peaks (8.53, 8.53, 103.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 61 + H GLY 61 OK 100 100 - 100 Peak 789 from nnoeabs.peaks (4.49, 8.53, 103.24 ppm; 3.97 A): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 61 + H GLY 61 OK 100 100 - 100 - 2.9=100 HB THR 13 + H GLY 61 OK 45 99 - 45 - 2.1/5372=8, 2785/2.9=7...(15) Peak 790 from nnoeabs.peaks (4.08, 8.53, 103.24 ppm; 3.89 A): 2 out of 6 assignments used, quality = 1.00: * HA3 GLY 61 + H GLY 61 OK 100 100 - 100 - 2.9=100 HA2 GLY 59 + H GLY 61 OK 48 90 - 53 - 4.8/275=22, 3.5/992=18...(8) HA3 GLY 54 - H GLY 61 OK 30 97 - 30 - 2784=8, 2783/2.9=5...(10) HA LYS 14 - H GLY 61 OK 15 71 - 20 - 3.0/993=4, ~4014=4...(7) HA LYS 26 - H GLY 61 lone 6 63 - 9 - 3.0/276=3, 5.2/5373=1 HA LYS 91 - H GLY 61 lone 3 65 - 5 - Peak 791 from nnoeabs.peaks (8.89, 8.89, 114.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 62 + H SER 62 OK 100 100 - 100 Peak 792 from nnoeabs.peaks (4.71, 8.89, 114.56 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 62 + H SER 62 OK 100 100 - 100 - 3.0=100 HA HIS 15 - H SER 62 OK 25 97 - 26 - 2796/3.9=6, 2792/3.9=6...(6) Peak 793 from nnoeabs.peaks (4.12, 8.89, 114.56 ppm; 4.50 A): 1 out of 6 assignments used, quality = 1.00: * HB2 SER 62 + H SER 62 OK 100 100 - 100 - 3.9=100 HA LYS 14 - H SER 62 OK 29 87 - 33 - 2789/3.0=7, 1213=6...(9) HA LYS 26 - H SER 62 lone 7 92 - 7 - 2789/3.0=2, 2797/3.9=2 HA LYS 91 - H SER 62 lone 5 90 - 5 - 1213=1 HB THR 83 - H SER 62 lone 4 99 - 4 - 2789/3.0=1 HA MET 21 - H SER 62 lone 3 68 - 4 - 282/4.6=2 Peak 794 from nnoeabs.peaks (3.99, 8.89, 114.56 ppm; 5.27 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 62 + H SER 62 OK 100 100 - 100 - 3.9=100 HA3 GLY 16 - H SER 62 OK 12 89 - 14 - ~35=4, 2790/3.0=4...(4) HA PRO 19 - H SER 62 lone 10 100 - 10 - 283/4.6=3, 2790/3.0=2 HA GLU 25 - H SER 62 lone 7 89 - 8 - 283/4.6=3, 2790/3.0=2 HA ALA 71 - H SER 62 lone 6 76 - 7 - 283/4.6=3, 2790/3.0=2 HA LEU 79 - H SER 62 lone 5 89 - 6 - 2790/3.0=1, 283/4.6=1 HA ALA 72 - H SER 62 lone 4 63 - 7 - 4219/4.6=2, 283/4.6=2 Peak 795 from nnoeabs.peaks (7.52, 7.52, 112.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 63 + H ASN 63 OK 100 100 - 100 Peak 796 from nnoeabs.peaks (4.62, 7.52, 112.61 ppm; 3.44 A): 1 out of 10 assignments used, quality = 1.00: * HA ASN 63 + H ASN 63 OK 100 100 - 100 - 2.9=100 HA ASN 24 - H ASN 63 OK 32 100 - 33 - 1622/4.0=6, 2812/4.0=5...(12) HA LEU 12 - H ASN 63 OK 11 92 - 12 - 285/4.6=2, 3.0/5393=2...(4) HA ASP 43 - H ASN 63 lone 7 89 - 8 - 3.0/5391=1 HA ARG 27 - H ASN 63 lone 5 100 - 5 - HA ASP 82 - H ASN 63 lone 5 100 - 5 - 3.0/5405=1 HA GLU 33 - H ASN 63 lone 5 97 - 5 - HA THR 38 - H ASN 63 lone 3 97 - 3 - HA HIS 42 - H ASN 63 lone 3 97 - 3 - HA LYS 31 - H ASN 63 lone 1 71 - 2 - Peak 797 from nnoeabs.peaks (2.91, 7.52, 112.61 ppm; 3.99 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ASN 63 + H ASN 63 OK 100 100 - 100 - 4.0=100 HB2 ASN 24 + H ASN 63 OK 46 99 - 47 - 2801/2.9=10, 2813/4.0=8...(12) HB3 PHE 80 - H ASN 63 OK 18 100 - 18 - 4.4/5403=6, 2801/2.9=3...(5) HE2 LYS 14 - H ASN 63 OK 15 100 - 15 - 3.9/5394=4, 7.4/280=2...(4) HE3 LYS 14 - H ASN 63 OK 15 100 - 15 - 3.9/5394=4, 7.4/280=2...(4) HE3 LYS 65 - H ASN 63 poor 8 60 - 14 - 5.8/4180=3, 1.8/798=2...(5) HB2 ASP 53 - H ASN 63 lone 6 89 - 6 - Peak 798 from nnoeabs.peaks (2.86, 7.52, 112.61 ppm; 3.97 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ASN 63 + H ASN 63 OK 100 100 - 100 - 4.0=100 HB3 ASN 24 - H ASN 63 OK 45 100 - 46 - 2802/2.9=8, 1.8/797=8...(11) HE2 LYS 65 - H ASN 63 OK 13 85 - 16 - 5.8/4180=3, 7.4/5450=2...(7) HB3 ASN 18 - H ASN 63 OK 13 100 - 13 - 2802/2.9=3, 2808/4.0=2...(5) HB2 ASN 18 - H ASN 63 OK 13 100 - 13 - 2802/2.9=3, 2808/4.0=2...(5) HE3 LYS 65 - H ASN 63 poor 10 76 - 13 - 5.8/4180=3, 7.4/5450=2...(4) HB3 TYR 32 - H ASN 63 lone 9 99 - 9 - 2802/2.9=2, ~4634=1 HE3 LYS 17 - H ASN 63 lone 7 99 - 7 - HE2 LYS 17 - H ASN 63 lone 5 90 - 6 - Peak 800 from nnoeabs.peaks (6.76, 7.52, 112.61 ppm; 5.02 A): 1 out of 1 assignment used, quality = 0.84: * HD22 ASN 63 + H ASN 63 OK 84 100 - 84 - 5.5=75, 5401/5395=14...(6) Peak 801 from nnoeabs.peaks (8.29, 8.29, 119.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 64 + H LYS 64 OK 100 100 - 100 Peak 802 from nnoeabs.peaks (3.28, 8.29, 119.85 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 64 + H LYS 64 OK 100 100 - 100 - 3.0=100 Peak 803 from nnoeabs.peaks (1.36, 8.29, 119.85 ppm; 4.20 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LYS 64 + H LYS 64 OK 100 100 - 100 - 4.0=100 QB ALA 67 + H LYS 64 OK 68 98 - 70 - 4172/3.0=36, ~4170=15...(13) HB3 LEU 12 - H LYS 64 OK 34 93 - 36 - 4.0/996=5, 1173/4.6=5...(14) HG2 LYS 44 - H LYS 64 OK 31 99 - 31 - 2282/4.0=4, 2819/3.0=4...(13) HG2 LYS 68 - H LYS 64 OK 26 99 - 26 - 4049/4.6=5, 2819/3.0=4...(10) HB3 LYS 56 - H LYS 64 OK 20 90 - 22 - ~5423=3, 4171/3.0=3...(11) QB ALA 69 - H LYS 64 poor 10 76 - 13 - 5393/4.6=4, 292/4.6=1 HG2 LYS 91 - H LYS 64 lone 6 97 - 6 - HG3 LYS 91 - H LYS 64 lone 6 97 - 6 - QB ALA 86 - H LYS 64 lone 5 81 - 6 - 2.9/404=3 QB ALA 89 - H LYS 64 lone 3 99 - 3 - Peak 804 from nnoeabs.peaks (1.44, 8.29, 119.85 ppm; 4.44 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 64 + H LYS 64 OK 100 100 - 100 - 4.0=100 HD2 LYS 64 + H LYS 64 OK 77 92 - 84 - 6.2=37, 2.9/805=33...(13) HB3 LEU 76 - H LYS 64 OK 37 78 - 47 - 3.1/806=8, 2823/3.0=5...(15) HG2 LYS 65 - H LYS 64 OK 34 100 - 35 - 2937/4.6=13, 2823/3.0=3...(13) HB3 LEU 34 - H LYS 64 OK 30 85 - 35 - ~4675=11, ~5423=5...(12) HB3 ARG 45 - H LYS 64 OK 25 95 - 27 - 2838/3.0=7, 2841/4.8=5...(11) HD2 LYS 44 - H LYS 64 OK 24 83 - 29 - 2300/4.0=4, 3.0/803=3...(13) HG LEU 12 - H LYS 64 OK 22 76 - 30 - 3.7/285=4, 5.2/996=4...(11) HG3 LYS 78 - H LYS 64 OK 12 90 - 13 - 2823/3.0=2, 815/4.6=2...(6) HG2 ARG 27 - H LYS 64 lone 7 76 - 9 - 4.1/285=1 Peak 805 from nnoeabs.peaks (0.58, 8.29, 119.85 ppm; 4.36 A): 1 out of 1 assignment used, quality = 0.93: * HG2 LYS 64 + H LYS 64 OK 93 100 - 93 - 4.8=74, 2821/3.0=37...(13) Peak 806 from nnoeabs.peaks (0.70, 8.29, 119.85 ppm; 4.95 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 64 + H LYS 64 OK 100 100 - 100 - 4.8=100 QD2 LEU 76 + H LYS 64 OK 67 97 - 69 - 2822/3.0=14, 2832/4.0=11...(20) QG1 VAL 50 - H LYS 64 OK 30 98 - 31 - 2822/3.0=6, 2832/4.0=5...(7) QG2 VAL 20 - H LYS 64 OK 19 73 - 25 - 2822/3.0=4, 2832/4.0=3...(9) Peak 807 from nnoeabs.peaks (1.46, 8.29, 119.85 ppm; 4.42 A): 3 out of 8 assignments used, quality = 0.99: HB3 LYS 64 + H LYS 64 OK 92 92 - 100 - 4.0=100 * HD2 LYS 64 + H LYS 64 OK 84 100 - 84 - 6.2=36, 2.9/805=32...(13) HB3 LEU 76 + H LYS 64 OK 49 99 - 50 - 3.1/806=8, 3235/4.8=6...(15) HG2 LYS 65 - H LYS 64 OK 34 97 - 35 - 2937/4.6=13, 2823/3.0=3...(13) HG LEU 12 - H LYS 64 OK 30 99 - 31 - 3.7/285=4, 5.2/996=4...(11) HB3 ARG 45 - H LYS 64 OK 26 100 - 26 - 2838/3.0=6, 2841/4.8=5...(11) HG3 LYS 78 - H LYS 64 OK 14 100 - 14 - 2823/3.0=2, 296/4.6=2...(6) HG LEU 79 - H LYS 64 lone 8 83 - 9 - 296/4.6=2 Peak 808 from nnoeabs.peaks (1.52, 8.29, 119.85 ppm; 6.20 A): 2 out of 15 assignments used, quality = 1.00: * HD3 LYS 64 + H LYS 64 OK 100 100 - 100 - 6.2=100 HG LEU 34 + H LYS 64 OK 65 98 - 67 - ~4675=26, ~5423=12...(14) HB2 ARG 45 - H LYS 64 OK 41 92 - 45 - ~2838=8, 6016/4.0=7...(12) HB3 LYS 44 - H LYS 64 OK 39 89 - 45 - 2270/4.0=5, 2272/4.0=5...(14) HD2 LYS 56 - H LYS 64 OK 35 99 - 36 - ~5423=7, 2824/3.0=4...(12) QB ALA 71 - H LYS 64 OK 33 100 - 33 - 5662/4.8=8, 5634/4.6=7...(11) HD3 LYS 17 - H LYS 64 OK 27 92 - 30 - ~4675=7, ~5422=4...(11) HD2 LYS 17 - H LYS 64 OK 27 92 - 30 - ~4675=7, ~5422=4...(11) HB2 LYS 56 - H LYS 64 OK 27 76 - 36 - ~5423=7, 1.8/803=3...(13) HG3 ARG 27 - H LYS 64 OK 19 99 - 19 - 2824/3.0=2, 4.1/285=2...(7) HB2 LEU 85 - H LYS 64 OK 17 97 - 17 - 4.3/404=3, 3578=2...(7) HB3 LYS 26 - H LYS 64 OK 16 99 - 16 - ~5422=2, 2824/3.0=2...(5) HB3 LEU 87 - H LYS 64 OK 11 99 - 11 - 2824/3.0=1 HG2 GLU 37 - H LYS 64 poor 9 78 - 12 - 4775/5414=2, 4775/5414=1 HG LEU 30 - H LYS 64 lone 7 90 - 7 - Peak 811 from nnoeabs.peaks (7.85, 7.85, 119.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 65 + H LYS 65 OK 100 100 - 100 Peak 812 from nnoeabs.peaks (3.74, 7.85, 119.36 ppm; 3.07 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 65 + H LYS 65 OK 100 100 - 100 - 2.9=100 HB2 SER 36 - H LYS 65 OK 13 89 - 15 - 2918/3.8=2, 2928/3.8=2...(6) HA2 GLY 39 - H LYS 65 lone 6 87 - 7 - 2918/3.8=1 HA2 GLY 40 - H LYS 65 lone 1 57 - 2 - Peak 813 from nnoeabs.peaks (1.79, 7.85, 119.36 ppm; 2.82 A): 3 out of 17 assignments used, quality = 0.77: * HB2 LYS 65 + H LYS 65 OK 69 100 - 69 - 3.8=40, 1.8/814=17...(13) HG LEU 76 + H LYS 65 OK 16 83 - 20 - 2.1/5784=4, 3.0/296=2...(8) HB2 MET 48 + H LYS 65 OK 13 99 - 14 - 1.8/814=3, 2909/2.9=2...(5) HD3 LYS 78 - H LYS 65 lone 8 100 - 8 - 2909/2.9=1, 2.9/296=1 QE MET 11 - H LYS 65 lone 7 85 - 9 - 4244/5453=1 HB2 LYS 44 - H LYS 65 poor 7 65 - 10 - 2.9/292=2, ~4795=1, 3.0/3791=1 QB ALA 74 - H LYS 65 lone 5 96 - 6 - 5719/4.9=1, 5732/4.6=1 HG3 GLU 37 - H LYS 65 lone 5 100 - 5 - HB2 ARG 27 - H LYS 65 lone 5 96 - 5 - HB2 GLU 37 - H LYS 65 lone 3 63 - 5 - HG2 GLU 51 - H LYS 65 lone 3 83 - 3 - HG3 GLU 51 - H LYS 65 lone 2 81 - 3 - HB3 GLU 33 - H LYS 65 lone 2 65 - 3 - HB2 LYS 91 - H LYS 65 lone 2 100 - 2 - HB2 LYS 31 - H LYS 65 lone 2 100 - 2 - HB2 ARG 28 - H LYS 65 lone 2 100 - 1 - HB3 ARG 28 - H LYS 65 lone 1 81 - 1 - Peak 814 from nnoeabs.peaks (1.74, 7.85, 119.36 ppm; 2.92 A): 5 out of 6 assignments used, quality = 0.84: * HB3 LYS 65 + H LYS 65 OK 72 100 - 72 - 3.8=44, 1.8/813=16...(17) HB2 LYS 17 + H LYS 65 OK 15 93 - 16 - 2910/2.9=3, 2920/3.8=2...(8) HB3 LYS 17 + H LYS 65 OK 14 92 - 15 - 2910/2.9=3, 2920/3.8=2...(6) HB3 GLN 55 + H LYS 65 OK 13 93 - 14 - 2928/2.9=3, 2927=3...(5) HB3 MET 48 + H LYS 65 OK 12 90 - 14 - 1.8/813=3, 2910/2.9=3...(6) HB2 LEU 73 - H LYS 65 lone 4 87 - 4 - Peak 815 from nnoeabs.peaks (1.45, 7.85, 119.36 ppm; 3.17 A): 4 out of 10 assignments used, quality = 0.93: * HG2 LYS 65 + H LYS 65 OK 71 100 - 71 - 5.0=25, 3.0/814=15...(19) HB3 LYS 64 + H LYS 65 OK 50 100 - 50 - 4.6=32, 4.0/290=8...(9) HG LEU 12 + H LYS 65 OK 31 87 - 36 - 3.0/1166=4, 2.1/1194=4...(14) HB3 LEU 76 + H LYS 65 OK 29 89 - 32 - 3.1/5784=4, 3.0/813=3...(15) HD2 LYS 64 - H LYS 65 OK 24 97 - 24 - 3.8/4024=6, 2823/3.6=5...(7) HG3 LYS 78 - H LYS 65 OK 15 97 - 15 - 2921/3.8=2, 2911/2.9=2...(4) HD2 LYS 44 - H LYS 65 OK 13 71 - 18 - 3.0/292=2, 6166/2.9=2...(8) HB3 ARG 45 - H LYS 65 OK 12 99 - 12 - 2838/3.6=3, 2841/4.9=2...(5) HB3 LEU 34 - H LYS 65 poor 8 73 - 11 - 3.1/5453=3, 2820/3.6=2 HG2 ARG 27 - H LYS 65 lone 4 63 - 6 - Peak 816 from nnoeabs.peaks (1.26, 7.85, 119.36 ppm; 3.76 A): 4 out of 8 assignments used, quality = 0.95: * HG3 LYS 65 + H LYS 65 OK 85 100 - 85 - 5.0=41, 3.0/814=20...(18) HB2 LEU 79 + H LYS 65 OK 32 96 - 34 - 4097=4, 2912/2.9=3...(14) HG3 LYS 17 + H LYS 65 OK 28 99 - 29 - 2912/2.9=4, 2.9/814=4...(11) HG3 LYS 56 + H LYS 65 OK 27 90 - 30 - 1.8/5453=8, 2947=4...(9) HB3 LYS 68 - H LYS 65 OK 27 60 - 46 - ~4177=9, 4179/2.9=7...(15) HG2 LYS 17 - H LYS 65 OK 19 71 - 26 - 2.9/814=4, 2.9/814=4...(11) HB3 LEU 23 - H LYS 65 OK 17 100 - 17 - 4477/3.8=2, 2912/2.9=2...(5) HD3 LYS 44 - H LYS 65 OK 15 65 - 23 - ~6166=4, 3.0/292=3...(11) Peak 817 from nnoeabs.peaks (1.58, 7.85, 119.36 ppm; 3.81 A): 2 out of 9 assignments used, quality = 0.97: * HD2 LYS 65 + H LYS 65 OK 82 100 - 82 - 6.2=24, 3.5/814=18...(21) HD3 LYS 65 + H LYS 65 OK 82 100 - 82 - 6.2=24, 3.5/814=18...(21) HB2 LEU 12 - H LYS 65 OK 36 81 - 45 - 1166=7, 1.8/1173=6...(16) HB2 LYS 68 - H LYS 65 OK 35 71 - 50 - 4177/2.9=11, ~4179=8...(15) HD3 LYS 14 - H LYS 65 OK 33 100 - 34 - 2913/2.9=4, 2923/3.8=4...(15) HD2 LYS 14 - H LYS 65 OK 33 99 - 34 - 2913/2.9=4, 2923/3.8=4...(15) HB3 LEU 85 - H LYS 65 lone 7 95 - 7 - 4.3/997=2, 4.0/290=1 HB2 LEU 87 - H LYS 65 lone 6 81 - 7 - 4.2/997=3 HG LEU 85 - H LYS 65 lone 3 65 - 4 - Peak 818 from nnoeabs.peaks (1.58, 7.85, 119.36 ppm; 3.81 A): 2 out of 10 assignments used, quality = 0.97: * HD3 LYS 65 + H LYS 65 OK 82 100 - 82 - 6.2=24, 3.5/814=18...(21) HD2 LYS 65 + H LYS 65 OK 82 100 - 82 - 6.2=24, 3.5/814=18...(21) HB2 LYS 68 - H LYS 65 OK 40 78 - 51 - 4177/2.9=12, ~4179=8...(16) HB2 LEU 12 - H LYS 65 OK 40 87 - 46 - 1166=7, 1.8/1173=6...(16) HD3 LYS 14 - H LYS 65 OK 34 100 - 34 - 2913/2.9=4, 2923/3.8=4...(15) HD2 LYS 14 - H LYS 65 OK 33 100 - 34 - 2913/2.9=4, 2923/3.8=4...(15) HB3 LEU 85 - H LYS 65 lone 8 97 - 7 - 4.3/997=2, 4.0/290=1 HB2 LEU 87 - H LYS 65 lone 7 87 - 7 - 4.2/997=3 HG LEU 87 - H LYS 65 lone 4 60 - 6 - 4.9/997=2 HG LEU 85 - H LYS 65 lone 3 73 - 4 - Peak 819 from nnoeabs.peaks (2.88, 7.85, 119.36 ppm; 3.81 A): 3 out of 11 assignments used, quality = 0.93: * HE2 LYS 65 + H LYS 65 OK 68 100 - 68 - 7.4=14, 3.8/2937=12...(17) HE3 LYS 65 + H LYS 65 OK 68 100 - 68 - 7.4=14, 3.8/2937=12...(17) HB3 ASN 63 + H LYS 65 OK 35 85 - 41 - 4.4/290=10, 1.8/5411=8...(9) HB3 PHE 80 - H LYS 65 OK 14 60 - 24 - 2.5/4713=6, 1.8/3425=3...(8) HE3 LYS 14 - H LYS 65 OK 14 60 - 24 - 3.0/817=3, 3.0/817=3...(14) HE3 LYS 17 - H LYS 65 OK 13 71 - 18 - 3.9/816=3, 5.0/814=2...(9) HB3 ASN 24 - H LYS 65 poor 10 73 - 13 - 3.0/5452=2, 287/4.6=2 HB3 ASN 18 - H LYS 65 lone 6 81 - 7 - HB2 ASN 18 - H LYS 65 lone 5 78 - 7 - HB2 ASP 53 - H LYS 65 lone 4 90 - 4 - HB3 TYR 32 - H LYS 65 lone 3 71 - 5 - Peak 820 from nnoeabs.peaks (2.88, 7.85, 119.36 ppm; 3.81 A): 3 out of 13 assignments used, quality = 0.93: * HE3 LYS 65 + H LYS 65 OK 68 100 - 68 - 7.4=14, 3.8/2937=12...(17) HE2 LYS 65 + H LYS 65 OK 68 100 - 68 - 7.4=14, 3.8/2937=12...(17) HB3 ASN 63 + H LYS 65 OK 31 76 - 40 - 4.4/290=10, 1.8/5411=8...(9) HB2 ASN 63 - H LYS 65 OK 23 60 - 39 - 4.4/290=10, 1.8/5410=8...(10) HB3 PHE 80 - H LYS 65 OK 18 71 - 25 - 2.5/4713=6, 1.8/3425=3...(8) HE3 LYS 14 - H LYS 65 OK 17 71 - 24 - 3.0/817=3, 3.0/817=3...(14) HE2 LYS 14 - H LYS 65 OK 16 63 - 26 - 3.0/817=3, 3.0/817=3...(16) HE3 LYS 17 - H LYS 65 OK 11 60 - 18 - 3.9/816=3, 5.0/814=2...(9) HB3 ASN 24 - H LYS 65 poor 8 63 - 12 - 3.0/5452=2, 287/4.6=2 HB3 ASN 18 - H LYS 65 lone 5 71 - 6 - HB2 ASN 18 - H LYS 65 lone 4 68 - 6 - HB2 ASP 53 - H LYS 65 lone 4 96 - 5 - HB3 TYR 32 - H LYS 65 lone 3 60 - 4 - Peak 821 from nnoeabs.peaks (8.26, 8.26, 120.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H VAL 66 + H VAL 66 OK 100 100 - 100 H ASP 88 + H ASP 88 OK 61 61 - 100 Peak 822 from nnoeabs.peaks (3.61, 8.26, 120.89 ppm; 3.14 A): 1 out of 6 assignments used, quality = 1.00: * HA VAL 66 + H VAL 66 OK 100 100 - 100 - 3.0=100 HD3 ARG 27 - H VAL 66 OK 14 73 - 18 - 3008/4.0=2, 3013/4.0=2...(11) HA VAL 66 - H ASP 88 OK 11 69 - 16 - 2997=5, 3.6/998=3...(5) HA2 GLY 54 - H VAL 66 lone 4 63 - 6 - 3008/4.0=1, 3013/4.0=1 HD3 ARG 27 - H ASP 88 lone 1 43 - 2 - HA2 GLY 54 - H ASP 88 lone 0 36 - 1 - Peak 823 from nnoeabs.peaks (1.84, 8.26, 120.89 ppm; 2.85 A): 4 out of 22 assignments used, quality = 0.79: * HB VAL 66 + H VAL 66 OK 69 100 - 69 - 4.0=37, 2.1/824=21...(7) HB3 GLU 37 + H VAL 66 OK 15 85 - 18 - 3002=4, 3003/3.0=3...(9) HB2 GLU 37 + H VAL 66 OK 11 65 - 16 - 1.8/3002=3, 3002=3...(8) HB2 GLU 22 + H VAL 66 OK 10 100 - 10 - 2999/3.0=2, 4450/4.0=1...(4) HB VAL 66 - H ASP 88 poor 9 69 - 13 - 3002=3, 2.1/3007=3...(5) HB2 GLU 22 - H ASP 88 poor 7 69 - 10 - 1554=2, 1.8/1560=1...(6) HG3 PRO 19 - H VAL 66 lone 5 71 - 7 - 4374/4.0=2, 2999/3.0=1...(4) HB2 LYS 44 - H VAL 66 lone 4 63 - 6 - HB3 PRO 84 - H VAL 66 lone 4 96 - 4 - HB3 LYS 78 - H VAL 66 lone 4 63 - 6 - 4.0/363=2 HB3 LYS 78 - H ASP 88 lone 3 36 - 9 - 4.0/363=2, 3308/3.6=2 HB2 GLU 49 - H VAL 66 lone 3 100 - 3 - HB3 PRO 84 - H ASP 88 lone 3 61 - 4 - 4.3/1013=3 HB3 GLU 33 - H VAL 66 lone 2 63 - 3 - HG2 PRO 81 - H VAL 66 lone 2 87 - 2 - HB2 GLU 49 - H ASP 88 lone 1 68 - 2 - HG3 PRO 19 - H ASP 88 lone 1 41 - 4 - HB3 GLU 37 - H ASP 88 lone 1 52 - 2 - HG2 PRO 81 - H ASP 88 lone 1 53 - 1 - HB2 LYS 44 - H ASP 88 lone 1 36 - 2 - HB2 GLU 37 - H ASP 88 lone 1 38 - 2 - HB3 GLU 33 - H ASP 88 lone 0 36 - 1 - Peak 824 from nnoeabs.peaks (1.04, 8.26, 120.89 ppm; 2.86 A): 1 out of 6 assignments used, quality = 0.71: * QG2 VAL 66 + H VAL 66 OK 71 100 - 71 - 4.0=36, 3000/3.0=17...(9) QG2 VAL 66 - H ASP 88 poor 10 69 - 14 - 3007=5, 2.1/3002=2...(5) QD2 LEU 34 - H VAL 66 poor 9 85 - 11 - 3000/3.0=3, 5453/4.6=1...(5) HG2 LYS 56 - H VAL 66 poor 7 68 - 10 - 3000/3.0=2, 5453/4.6=2 HG2 LYS 56 - H ASP 88 lone 1 39 - 3 - QD2 LEU 34 - H ASP 88 lone 1 52 - 2 - Peak 825 from nnoeabs.peaks (1.12, 8.26, 120.89 ppm; 3.51 A): 4 out of 8 assignments used, quality = 0.95: * QG1 VAL 66 + H VAL 66 OK 91 100 - 91 - 4.0=66, 2.1/824=29...(10) QG2 THR 13 + H VAL 66 OK 24 93 - 26 - 3001/3.0=6, 3012=5...(6) QG1 VAL 66 + H ASP 88 OK 13 69 - 19 - 3012=5, 2.1/3007=5...(5) HG3 LYS 14 + H VAL 66 OK 11 87 - 13 - 3001/3.0=2, 3011/4.0=2...(6) HG12 ILE 35 - H VAL 66 lone 5 68 - 7 - 3001/3.0=2, 3011/4.0=1, ~4739=1 QG2 THR 13 - H ASP 88 lone 3 59 - 4 - HG3 LYS 14 - H ASP 88 lone 1 53 - 3 - HG12 ILE 35 - H ASP 88 lone 1 39 - 2 - Peak 826 from nnoeabs.peaks (7.41, 7.41, 121.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 67 + H ALA 67 OK 100 100 - 100 Peak 827 from nnoeabs.peaks (3.80, 7.41, 121.32 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 67 + H ALA 67 OK 100 100 - 100 - 2.9=100 HD3 PRO 19 - H ALA 67 OK 33 98 - 34 - 3021/2.9=6, 2.3/312=4...(12) HD2 PRO 84 - H ALA 67 OK 14 92 - 15 - 3021/2.9=3, 3.0/312=2...(6) Peak 828 from nnoeabs.peaks (1.37, 7.41, 121.32 ppm; 2.91 A): 1 out of 11 assignments used, quality = 0.99: * QB ALA 67 + H ALA 67 OK 99 100 - 99 - 2.9=98, 3.7/315=16...(11) QB ALA 69 - H ALA 67 OK 44 93 - 47 - 2.9/1054=15, 4184/3.6=13...(12) HB2 LYS 64 - H ALA 67 OK 41 98 - 41 - 3.0/4170=15, 4.6/1040=9...(11) HG2 LYS 68 - H ALA 67 OK 30 100 - 30 - 4.9/315=10, 2.9/5520=7...(7) HB3 LEU 12 - H ALA 67 OK 14 100 - 14 - 4.0/1045=2, 4275/4.3=1...(4) HB3 LYS 56 - H ALA 67 OK 11 99 - 11 - 2.9/313=2, 4183/3.6=1 HG2 LYS 44 - H ALA 67 lone 9 100 - 9 - HD3 LYS 56 - H ALA 67 lone 6 78 - 8 - 3.0/313=2, 4183/3.6=1 HG2 LYS 91 - H ALA 67 lone 3 83 - 3 - HG3 LYS 91 - H ALA 67 lone 3 83 - 3 - QB ALA 89 - H ALA 67 lone 2 92 - 2 - Peak 829 from nnoeabs.peaks (7.98, 7.98, 115.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 68 + H LYS 68 OK 100 100 - 100 Peak 830 from nnoeabs.peaks (3.54, 7.98, 115.46 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 68 + H LYS 68 OK 100 100 - 100 - 3.0=100 Peak 831 from nnoeabs.peaks (1.60, 7.98, 115.46 ppm; 3.01 A): 8 out of 12 assignments used, quality = 0.92: * HB2 LYS 68 + H LYS 68 OK 79 100 - 79 - 4.0=42, 1.8/832=15...(21) HB2 LEU 12 + H LYS 68 OK 18 100 - 18 - 1.8/317=2, 3025/3.0=2...(7) HD3 LYS 65 + H LYS 68 OK 16 78 - 21 - 4.6/4175=8, 2.8/832=2...(6) HD2 LYS 65 + H LYS 68 OK 14 71 - 20 - 4.6/4175=8, 2.8/832=2...(5) HG LEU 23 + H LYS 68 OK 13 99 - 13 - 2.1/834=3, 3025/3.0=2...(6) HB2 LEU 87 + H LYS 68 OK 11 100 - 11 - 3.1/5959=5, 4.2/1049=2 HG LEU 87 + H LYS 68 OK 10 99 - 10 - 2.1/5959=5, 4.9/1049=1 HB3 LEU 85 + H LYS 68 OK 10 96 - 11 - 3.1/5959=5 HG LEU 73 - H LYS 68 poor 10 90 - 11 - 2.1/834=2, 3025/3.0=1...(4) HG LEU 85 - H LYS 68 lone 10 100 - 10 - 2.1/5959=5 HD2 LYS 14 - H LYS 68 lone 5 85 - 6 - HD3 LYS 14 - H LYS 68 lone 5 83 - 6 - Peak 832 from nnoeabs.peaks (1.29, 7.98, 115.46 ppm; 3.18 A): 6 out of 9 assignments used, quality = 0.93: * HB3 LYS 68 + H LYS 68 OK 83 100 - 83 - 4.0=50, 1.8/3033=19...(19) HB2 LYS 26 + H LYS 68 OK 22 90 - 25 - 3026/3.0=4, 3036/4.0=3...(12) HD3 LYS 44 + H LYS 68 OK 17 100 - 17 - 3026/3.0=2, 5.8/189=2...(8) HG3 LYS 56 + H LYS 68 OK 15 95 - 16 - 3026/3.0=3, 3036/4.0=2...(6) HG3 LYS 65 + H LYS 68 OK 15 60 - 25 - 3.7/4175=11, 3.0/5533=2...(8) QB ALA 60 + H LYS 68 OK 11 89 - 13 - 5366/3.6=5, 2.9/1052=1...(4) HG3 LYS 17 - H LYS 68 poor 9 78 - 12 - 3026/3.0=2, 1.8/836=1 HG3 LYS 31 - H LYS 68 lone 5 99 - 5 - HG3 ARG 45 - H LYS 68 lone 1 71 - 2 - Peak 833 from nnoeabs.peaks (1.37, 7.98, 115.46 ppm; 2.77 A): 4 out of 12 assignments used, quality = 0.94: QB ALA 67 + H LYS 68 OK 66 100 - 66 - 3.7=41, 2.9/315=19...(10) * HG2 LYS 68 + H LYS 68 OK 64 100 - 64 - 4.9=18, 2.9/3033=11...(21) QB ALA 69 + H LYS 68 OK 30 89 - 34 - 2.9/318=14, 3.6/1059=6...(9) HB2 LYS 64 + H LYS 68 OK 26 99 - 26 - 3.0/1051=12, 3019/3.6=2...(7) HB3 LEU 12 - H LYS 68 OK 16 99 - 16 - 1.8/831=3, 1175/4.0=2...(6) HG2 LYS 44 - H LYS 68 OK 14 100 - 14 - 4.7/189=2, 3.0/832=2...(5) HB3 LYS 56 - H LYS 68 OK 13 97 - 13 - 2.9/832=2, 2634/4.0=1...(4) HD3 LYS 56 - H LYS 68 lone 6 71 - 9 - 3.0/832=2 QB ALA 89 - H LYS 68 lone 2 96 - 2 - HG2 LYS 91 - H LYS 68 lone 2 89 - 2 - HG3 LYS 91 - H LYS 68 lone 2 89 - 2 - QB ALA 86 - H LYS 68 lone 1 65 - 2 - Peak 834 from nnoeabs.peaks (0.80, 7.98, 115.46 ppm; 3.86 A): 2 out of 6 assignments used, quality = 0.95: * HG3 LYS 68 + H LYS 68 OK 92 100 - 92 - 4.9=48, 3064/3.0=29...(21) QD2 LEU 79 + H LYS 68 OK 31 87 - 35 - 5869/4.6=5, 3028/3.0=5...(12) QG2 ILE 35 - H LYS 68 OK 28 81 - 34 - 3028/3.0=4, 3048/4.0=3...(16) QD1 LEU 23 - H LYS 68 OK 26 92 - 29 - 3028/3.0=4, 3048/4.0=4...(8) QG1 VAL 47 - H LYS 68 OK 24 85 - 29 - 3028/3.0=4, 5508/3.7=3...(13) QD1 LEU 73 - H LYS 68 OK 16 65 - 24 - 3028/3.0=2, 2.1/831=2...(10) Peak 835 from nnoeabs.peaks (1.23, 7.98, 115.46 ppm; 3.84 A): 2 out of 9 assignments used, quality = 0.99: * HD2 LYS 68 + H LYS 68 OK 88 100 - 88 - 5.8=29, 3.5/3033=19...(24) HD3 LYS 68 + H LYS 68 OK 88 100 - 88 - 5.8=29, 3.5/3033=19...(24) HG3 LYS 26 - H LYS 68 OK 27 83 - 32 - 2.9/832=4, 1.8/5542=4...(13) QD1 LEU 34 - H LYS 68 OK 27 98 - 27 - 4675/1051=6, 4673/5536=6...(10) HG13 ILE 35 - H LYS 68 OK 26 100 - 26 - 3.2/834=3, ~4741=3...(9) HG2 LYS 17 - H LYS 68 OK 17 95 - 18 - 1.8/832=2, 3030/3.0=2...(9) HB2 LEU 79 - H LYS 68 OK 14 68 - 21 - 3.1/834=4, 3.1/5542=3...(9) QG2 THR 83 - H LYS 68 lone 8 95 - 9 - 4.2/316=3, 5938/3.6=2 HG2 LYS 14 - H LYS 68 lone 6 73 - 8 - Peak 836 from nnoeabs.peaks (1.23, 7.98, 115.46 ppm; 3.84 A): 2 out of 9 assignments used, quality = 0.99: HD2 LYS 68 + H LYS 68 OK 88 100 - 88 - 5.8=29, 3.5/3033=19...(24) * HD3 LYS 68 + H LYS 68 OK 88 100 - 88 - 5.8=29, 3.5/3033=19...(24) QD1 LEU 34 - H LYS 68 OK 26 97 - 27 - 4675/1051=6, 4673/5536=6...(10) HG3 LYS 26 - H LYS 68 OK 26 81 - 32 - 2.9/832=4, 1.8/5542=4...(12) HG13 ILE 35 - H LYS 68 OK 26 100 - 26 - 3.2/834=3, ~4741=3...(9) HG2 LYS 17 - H LYS 68 OK 17 96 - 18 - 1.8/832=2, 3030/3.0=2...(9) HB2 LEU 79 - H LYS 68 OK 15 71 - 21 - 3.1/834=4, 3.1/5542=3...(9) QG2 THR 83 - H LYS 68 lone 8 93 - 9 - 4.2/316=3, 5938/3.6=2 HG2 LYS 14 - H LYS 68 lone 5 71 - 8 - Peak 837 from nnoeabs.peaks (2.23, 7.98, 115.46 ppm; 6.07 A): 2 out of 6 assignments used, quality = 0.99: * HE2 LYS 68 + H LYS 68 OK 98 100 - 98 - 7.3=56, 3094/3.0=39...(18) HG2 GLU 33 + H LYS 68 OK 47 99 - 48 - 3051/4.0=9, 3041/4.0=8...(12) HG2 GLU 77 - H LYS 68 OK 34 99 - 34 - 5806/4.0=6, 3051/4.0=5...(11) HG2 GLU 25 - H LYS 68 OK 27 98 - 28 - 3051/4.0=5, 3041/4.0=5...(8) HB2 PRO 84 - H LYS 68 OK 22 60 - 37 - 3.0/316=6, 3041/4.0=4...(13) HG3 MET 11 - H LYS 68 OK 17 73 - 23 - ~5538=5, 3.4/5533=4...(7) Peak 839 from nnoeabs.peaks (7.52, 7.52, 119.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 69 + H ALA 69 OK 100 100 - 100 Peak 840 from nnoeabs.peaks (3.87, 7.52, 119.82 ppm; 3.17 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 69 + H ALA 69 OK 100 100 - 100 - 3.0=100 HA3 GLY 29 - H ALA 69 OK 15 100 - 15 - 3117/2.9=3, 329/4.6=3...(6) HA GLU 77 - H ALA 69 lone 9 100 - 9 - 3117/2.9=2, 329/4.6=1 HA GLU 22 - H ALA 69 poor 9 81 - 11 - 3117/2.9=2, 4404/6203=1 Peak 841 from nnoeabs.peaks (1.38, 7.52, 119.82 ppm; 2.62 A): 5 out of 10 assignments used, quality = 0.93: * QB ALA 69 + H ALA 69 OK 78 100 - 78 - 2.9=72, 3.6/328=9...(8) QB ALA 67 + H ALA 69 OK 38 93 - 40 - 2.9/1054=12, 3.7/318=10...(10) HG2 LYS 68 + H ALA 69 OK 32 89 - 36 - 2.9/320=7, 2.9/321=7...(9) HB3 LEU 12 + H ALA 69 OK 14 98 - 14 - 1.8/320=3, 1175/4.3=2...(4) HB3 LYS 56 + H ALA 69 OK 12 99 - 12 - 2.9/321=2, 3115/3.0=1 HD3 LYS 56 - H ALA 69 poor 10 99 - 10 - 3.0/321=2 HG2 LYS 44 - H ALA 69 lone 7 92 - 8 - 3.0/321=1 HB2 LYS 64 - H ALA 69 lone 7 76 - 9 - 4.6/5450=1 QB ALA 89 - H ALA 69 lone 2 60 - 3 - HG2 LYS 31 - H ALA 69 lone 1 76 - 2 - Peak 842 from nnoeabs.peaks (8.33, 8.33, 115.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 70 + H TYR 70 OK 100 100 - 100 Peak 843 from nnoeabs.peaks (4.40, 8.33, 115.27 ppm; 3.26 A): 2 out of 4 assignments used, quality = 1.00: * HA TYR 70 + H TYR 70 OK 100 100 - 100 - 3.0=100 HA ARG 28 + H TYR 70 OK 48 98 - 49 - 1814=9, 4568/4.6=6...(20) HA GLN 55 - H TYR 70 OK 13 83 - 16 - 5.7/846=2, 3132/4.0=2...(6) HA PRO 81 - H TYR 70 OK 13 90 - 14 - 5915/4.6=2, 5918/3.6=2...(4) Peak 844 from nnoeabs.peaks (2.98, 8.33, 115.27 ppm; 3.05 A): 2 out of 8 assignments used, quality = 0.81: * HB2 TYR 70 + H TYR 70 OK 76 100 - 76 - 4.0=45, 1.8/845=22...(11) HB3 HIS 15 + H TYR 70 OK 21 83 - 25 - 1.8/845=9, 1315/4.0=4...(6) HE3 LYS 31 - H TYR 70 lone 7 92 - 7 - 3121/3.0=1 HE2 LYS 31 - H TYR 70 lone 7 90 - 7 - 3121/3.0=1 HE2 LYS 91 - H TYR 70 lone 6 85 - 6 - HE3 LYS 91 - H TYR 70 lone 6 85 - 6 - HD2 ARG 45 - H TYR 70 lone 1 57 - 2 - HD3 ARG 45 - H TYR 70 lone 1 57 - 2 - Peak 845 from nnoeabs.peaks (3.32, 8.33, 115.27 ppm; 3.28 A): 2 out of 2 assignments used, quality = 0.88: * HB3 TYR 70 + H TYR 70 OK 83 100 - 83 - 4.0=56, 1.8/844=24...(11) HB2 HIS 15 + H TYR 70 OK 32 99 - 33 - 3122/3.0=8, 1.8/844=6...(8) Peak 846 from nnoeabs.peaks (6.80, 8.33, 115.27 ppm; 5.38 A): 3 out of 3 assignments used, quality = 0.99: * QE TYR 70 + H TYR 70 OK 95 100 - 95 - 6.5=55, 2.2/847=33...(16) QD TYR 32 + H TYR 70 OK 51 89 - 58 - 4604/1058=15, 4597=11...(14) HE21 GLN 55 + H TYR 70 OK 48 100 - 48 - 3123/3.0=9, 1.7/328=8...(13) Peak 847 from nnoeabs.peaks (7.33, 8.33, 115.27 ppm; 3.56 A): 3 out of 3 assignments used, quality = 0.92: * QD TYR 70 + H TYR 70 OK 87 100 - 87 - 4.6=47, 2.5/845=24...(17) QE PHE 46 + H TYR 70 OK 22 95 - 23 - 3124/3.0=5, 3130/4.0=4...(6) HZ PHE 46 + H TYR 70 OK 20 97 - 20 - 3124/3.0=5, 3130/4.0=3...(5) Peak 848 from nnoeabs.peaks (8.13, 8.13, 126.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 71 + H ALA 71 OK 100 100 - 100 Peak 849 from nnoeabs.peaks (3.97, 8.13, 126.46 ppm; 3.24 A): 2 out of 7 assignments used, quality = 1.00: * HA ALA 71 + H ALA 71 OK 100 100 - 100 - 3.0=100 HA ALA 72 + H ALA 71 OK 54 100 - 55 - 2.9/337=16, 3.6/1067=8...(17) HA GLU 25 - H ALA 71 OK 12 99 - 13 - ~4214=2, 3153/2.9=2...(5) HA PRO 19 - H ALA 71 OK 12 81 - 15 - 3.6/1066=5, 3153/2.9=1 HA LEU 76 - H ALA 71 poor 10 68 - 14 - 4.0/5645=3, 3153/2.9=2...(4) HA3 GLY 16 - H ALA 71 lone 7 99 - 7 - HB3 SER 62 - H ALA 71 lone 5 76 - 6 - 4.3/1064=2, ~5390=1 Peak 850 from nnoeabs.peaks (1.52, 8.13, 126.46 ppm; 2.76 A): 2 out of 16 assignments used, quality = 0.93: * QB ALA 71 + H ALA 71 OK 90 100 - 90 - 2.9=84, 3.7/337=8...(14) QB ALA 72 + H ALA 71 OK 27 65 - 41 - 2.9/337=11, 2.1/849=6...(15) HG3 ARG 27 - H ALA 71 OK 22 100 - 22 - 3151/3.0=2, 5.0/1003=2...(10) HG LEU 30 - H ALA 71 OK 18 83 - 22 - 1897=3, 2.1/1911=3...(8) HB3 LYS 26 - H ALA 71 OK 13 100 - 13 - 3151/3.0=1, 3868=1, 1.8/3867=1 HD3 LYS 64 - H ALA 71 OK 10 100 - 10 - 2.9/5645=1 HD2 LYS 56 - H ALA 71 lone 9 96 - 10 - HB2 LYS 56 - H ALA 71 poor 9 85 - 10 - 1.8/5642=1 HD3 LYS 17 - H ALA 71 lone 6 97 - 6 - HD2 LYS 17 - H ALA 71 lone 6 97 - 6 - HB3 LYS 44 - H ALA 71 lone 5 81 - 6 - 4796/4.5=1 HG LEU 34 - H ALA 71 lone 5 100 - 5 - HG2 GLU 37 - H ALA 71 lone 4 87 - 5 - 4775/4.5=1 HB2 LEU 85 - H ALA 71 lone 4 99 - 4 - HB3 LEU 87 - H ALA 71 lone 4 96 - 4 - HB2 ARG 45 - H ALA 71 lone 2 97 - 2 - Peak 851 from nnoeabs.peaks (8.35, 8.35, 118.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 72 + H ALA 72 OK 100 100 - 100 Peak 852 from nnoeabs.peaks (3.96, 8.35, 118.23 ppm; 3.09 A): 2 out of 8 assignments used, quality = 1.00: * HA ALA 72 + H ALA 72 OK 100 100 - 100 - 2.9=100 HA ALA 71 + H ALA 72 OK 82 100 - 83 - 3.6=65, 3.0/337=14...(14) HA LEU 76 - H ALA 72 OK 23 81 - 29 - ~4219=5, 4.0/5669=4...(13) HA GLU 25 - H ALA 72 OK 22 97 - 23 - 3.0/5686=4, ~4216=2...(9) HA PRO 19 - H ALA 72 OK 14 68 - 21 - 2.3/5667=3, 2.3/5667=3...(8) HA LEU 23 - H ALA 72 OK 12 57 - 22 - 3.9/5668=4, ~6102=3...(8) HA3 GLY 16 - H ALA 72 lone 5 97 - 5 - HB3 SER 62 - H ALA 72 lone 2 63 - 4 - 4.3/5685=2 Peak 853 from nnoeabs.peaks (1.49, 8.35, 118.23 ppm; 2.57 A): 3 out of 12 assignments used, quality = 0.87: * QB ALA 72 + H ALA 72 OK 77 100 - 77 - 2.9=67, 3.6/1004=8...(7) QB ALA 71 + H ALA 72 OK 36 65 - 56 - 3.7=33, 2.9/337=10...(11) HG3 ARG 27 + H ALA 72 OK 14 71 - 20 - 1.8/3878=2, 3.0/3880=2...(9) HB3 LYS 26 - H ALA 72 poor 9 71 - 12 - 4.3/965=2, 3.6/5668=2...(4) HG LEU 79 - H ALA 72 lone 7 87 - 8 - 2.1/5669=1 HB2 LYS 56 - H ALA 72 lone 6 99 - 6 - HD2 LYS 17 - H ALA 72 lone 4 90 - 4 - HD3 LYS 17 - H ALA 72 lone 4 90 - 4 - HB2 LEU 85 - H ALA 72 lone 4 83 - 4 - HG2 GLU 37 - H ALA 72 lone 3 98 - 3 - HG LEU 34 - H ALA 72 lone 2 78 - 3 - HB2 ARG 45 - H ALA 72 lone 1 90 - 1 - Peak 854 from nnoeabs.peaks (8.57, 8.57, 117.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 73 + H LEU 73 OK 100 100 - 100 Peak 855 from nnoeabs.peaks (3.91, 8.57, 117.62 ppm; 3.30 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 73 + H LEU 73 OK 100 100 - 100 - 3.0=100 HA LEU 23 - H LEU 73 OK 36 85 - 43 - 3161=9, 3169/3.9=4...(18) HA LEU 76 - H LEU 73 OK 16 63 - 26 - ~4221=4, 344/4.6=3...(13) HA GLU 22 - H LEU 73 OK 12 76 - 15 - 6122/3.6=2, 4163/1084=2...(7) Peak 856 from nnoeabs.peaks (1.75, 8.57, 117.62 ppm; 3.19 A): 3 out of 8 assignments used, quality = 0.95: * HB2 LEU 73 + H LEU 73 OK 83 100 - 83 - 3.9=56, 1.8/3175=18...(16) QB ALA 74 + H LEU 73 OK 45 78 - 57 - 2.9/1005=24, 3.4/1084=15...(14) HB3 ARG 28 + H LEU 73 OK 43 95 - 46 - 3.0/3882=9, 4.0/966=5...(16) HB2 ARG 27 - H LEU 73 OK 20 78 - 26 - 4.2/966=5, 1.8/857=2...(11) QE MET 11 - H LEU 73 OK 12 92 - 13 - 4243/4.4=4, 4252/4.6=1...(4) HB3 GLN 55 - H LEU 73 OK 10 100 - 10 - 3.0/1075=2, 3177/3.9=1...(5) HB3 MET 48 - H LEU 73 lone 7 100 - 7 - HB3 LYS 65 - H LEU 73 lone 3 87 - 3 - Peak 857 from nnoeabs.peaks (1.67, 8.57, 117.62 ppm; 3.13 A): 3 out of 12 assignments used, quality = 0.93: * HB3 LEU 73 + H LEU 73 OK 81 100 - 81 - 3.9=53, 1.8/3168=17...(17) HG3 ARG 28 + H LEU 73 OK 41 98 - 42 - 3.8/3882=6, 3.0/856=5...(15) HG2 ARG 28 + H LEU 73 OK 40 97 - 42 - 3.8/3882=6, 3.0/856=5...(15) HB2 LEU 30 - H LEU 73 OK 19 83 - 24 - 4.0/122=5, 3.1/859=3...(8) HB3 ARG 27 - H LEU 73 OK 15 65 - 23 - 4.2/966=5, 1.8/856=3...(8) HB3 GLU 51 - H LEU 73 OK 11 96 - 12 - 5089=2, 5088/4.6=2, 1.8/6142=1 HD2 LYS 31 - H LEU 73 lone 6 100 - 6 - HD3 LYS 31 - H LEU 73 lone 6 100 - 6 - HB3 LYS 91 - H LEU 73 lone 3 90 - 4 - HB3 LYS 31 - H LEU 73 lone 2 60 - 3 - HB2 LYS 14 - H LEU 73 lone 2 71 - 2 - HB3 LYS 14 - H LEU 73 lone 2 71 - 2 - Peak 858 from nnoeabs.peaks (1.62, 8.57, 117.62 ppm; 3.23 A): 6 out of 12 assignments used, quality = 0.91: * HG LEU 73 + H LEU 73 OK 70 100 - 70 - 5.3=23, 3.0/3168=14...(13) HG LEU 23 + H LEU 73 OK 42 99 - 42 - 3182=7, 2.1/859=6...(19) HG LEU 87 + H LEU 73 OK 19 98 - 19 - 3182=3, 2.1/860=2...(8) HG LEU 85 + H LEU 73 OK 17 93 - 18 - 3182=3, 2.1/860=2...(9) HB2 LEU 87 + H LEU 73 OK 13 83 - 15 - 3.0/3182=2, 3.1/860=2...(7) HB2 LYS 68 + H LEU 73 OK 12 90 - 14 - 5677/3.6=2, 2.9/5711=2...(6) HB3 LEU 85 - H LEU 73 poor 9 63 - 14 - 1.8/342=2, 3.0/3182=2, 3.1/860=2 HD3 LYS 91 - H LEU 73 lone 3 87 - 4 - HB2 LEU 12 - H LEU 73 lone 3 83 - 4 - 1.8/5711=1 HD2 LYS 91 - H LEU 73 lone 3 85 - 4 - HB3 LYS 14 - H LEU 73 lone 1 63 - 2 - HB2 LYS 14 - H LEU 73 lone 1 63 - 2 - Peak 859 from nnoeabs.peaks (0.78, 8.57, 117.62 ppm; 3.86 A): 2 out of 6 assignments used, quality = 0.97: * QD1 LEU 73 + H LEU 73 OK 94 100 - 94 - 4.4=67, 4.6/1005=21...(16) QD1 LEU 23 + H LEU 73 OK 55 96 - 58 - 2.1/858=9, 1614/3.0=8...(20) QD1 LEU 30 - H LEU 73 OK 42 99 - 43 - 6032/3.0=7, 4.8/122=6...(11) HG2 LYS 26 - H LEU 73 OK 23 63 - 36 - 3189=4, 3.0/860=4...(15) QD2 LEU 79 - H LEU 73 OK 16 98 - 16 - 3416/3.6=2, 2.1/342=2...(6) HG3 LYS 68 - H LEU 73 OK 12 65 - 18 - 1.8/5711=3, 2.9/858=2...(6) Peak 860 from nnoeabs.peaks (0.84, 8.57, 117.62 ppm; 3.79 A): 2 out of 9 assignments used, quality = 0.95: * QD2 LEU 73 + H LEU 73 OK 92 100 - 92 - 4.4=63, 4.6/1005=20...(15) QB ALA 75 + H LEU 73 OK 33 60 - 56 - 2.9/1084=24, 5743/4.6=8...(13) HD2 LYS 26 - H LEU 73 OK 29 97 - 30 - 4524/3.0=4, 3181/3.9=3...(13) QD2 LEU 87 - H LEU 73 OK 24 100 - 24 - 2.1/858=4, 3174/3.9=3...(9) QD2 LEU 85 - H LEU 73 OK 22 100 - 22 - 2.1/858=4, 3174/3.9=3...(8) QD2 LEU 30 - H LEU 73 OK 20 60 - 34 - 4.8/122=6, 2.1/859=6...(12) QG2 ILE 35 - H LEU 73 lone 8 90 - 9 - 3174/3.9=2, 3181/3.9=2 QG2 VAL 47 - H LEU 73 lone 5 100 - 5 - QG1 VAL 47 - H LEU 73 lone 4 87 - 4 - Peak 861 from nnoeabs.peaks (7.80, 7.80, 121.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 74 + H ALA 74 OK 100 100 - 100 Peak 862 from nnoeabs.peaks (4.15, 7.80, 121.01 ppm; 3.21 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 74 + H ALA 74 OK 100 100 - 100 - 2.9=100 HA MET 21 - H ALA 74 OK 18 100 - 18 - 3207/2.9=4, 4161/4.6=4...(8) HB THR 83 - H ALA 74 lone 2 71 - 3 - Peak 863 from nnoeabs.peaks (1.77, 7.80, 121.01 ppm; 2.64 A): 3 out of 14 assignments used, quality = 0.93: * QB ALA 74 + H ALA 74 OK 84 100 - 84 - 2.9=73, 3.4/350=15...(12) HB2 LEU 73 + H ALA 74 OK 45 78 - 57 - 4.4=21, 1.8/4068=14...(10) HB3 ARG 28 + H ALA 74 OK 25 98 - 25 - 3.0/1081=3, 4.6/343=3...(10) HB2 ARG 28 - H ALA 74 OK 21 97 - 22 - 3.0/1081=3, 4.6/343=3...(8) HB2 ARG 27 - H ALA 74 OK 18 100 - 18 - 4.2/1079=2, 1.8/346=1...(5) QE MET 11 - H ALA 74 lone 7 99 - 7 - 4243/4.6=3 HD3 LYS 78 - H ALA 74 lone 5 99 - 5 - HB3 GLN 55 - H ALA 74 lone 4 68 - 6 - HB2 LYS 31 - H ALA 74 lone 4 97 - 4 - HB2 MET 48 - H ALA 74 lone 4 87 - 4 - HB2 LYS 65 - H ALA 74 lone 3 96 - 3 - HB3 MET 48 - H ALA 74 lone 3 73 - 4 - HG3 GLU 37 - H ALA 74 lone 2 96 - 2 - HB2 LYS 91 - H ALA 74 lone 2 89 - 2 - Peak 864 from nnoeabs.peaks (7.36, 7.36, 121.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 75 + H ALA 75 OK 100 100 - 100 Peak 865 from nnoeabs.peaks (2.05, 7.36, 121.32 ppm; 3.18 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 75 + H ALA 75 OK 100 100 - 100 - 2.9=100 HB3 GLU 77 - H ALA 75 OK 26 92 - 29 - 4.0/1087=6, 4232/3.6=5...(9) HB2 MET 21 - H ALA 75 OK 24 99 - 24 - 3.0/351=6, 1514/3.6=4...(5) HG2 GLU 22 - H ALA 75 OK 24 92 - 26 - 4.0/4163=5, 4464/2.9=4...(10) HG3 GLN 55 - H ALA 75 OK 14 93 - 15 - ~6110=4, 3213/2.9=2...(4) HB2 GLN 55 - H ALA 75 OK 14 92 - 15 - ~6110=3, 3213/2.9=2...(4) QE MET 21 - H ALA 75 OK 12 100 - 12 - 1542/3.6=3, 5.3/4161=3 HG3 GLU 33 - H ALA 75 lone 6 99 - 6 - Peak 866 from nnoeabs.peaks (0.87, 7.36, 121.32 ppm; 2.70 A): 3 out of 11 assignments used, quality = 0.94: * QB ALA 75 + H ALA 75 OK 86 100 - 86 - 2.9=78, 3.6/1007=10...(11) QD1 LEU 76 + H ALA 75 OK 42 96 - 44 - 2.1/5748=6, 4.8/1007=6...(21) QD2 LEU 73 + H ALA 75 OK 20 60 - 33 - 4.6/350=9, 4.4/1084=7...(8) QD2 LEU 30 - H ALA 75 lone 9 100 - 9 - 5718/3.4=1 HD2 LYS 26 - H ALA 75 poor 9 85 - 11 - 5.8/90=1 HD3 LYS 26 - H ALA 75 lone 6 60 - 10 - 5.8/90=1 QD1 LEU 87 - H ALA 75 lone 4 73 - 5 - HB3 LEU 30 - H ALA 75 lone 4 60 - 7 - QD2 LEU 87 - H ALA 75 lone 4 71 - 5 - QD1 LEU 85 - H ALA 75 lone 3 81 - 4 - QG2 VAL 47 - H ALA 75 lone 1 63 - 2 - Peak 867 from nnoeabs.peaks (8.54, 8.54, 118.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 76 + H LEU 76 OK 100 100 - 100 Peak 868 from nnoeabs.peaks (3.94, 8.54, 118.14 ppm; 3.37 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 76 + H LEU 76 OK 100 100 - 100 - 3.0=100 HA LEU 23 - H LEU 76 OK 42 98 - 43 - 4221=9, 3.9/4482=7...(16) HA ALA 72 - H LEU 76 OK 37 81 - 45 - 4219=13, 4216/4.6=6...(12) HA LEU 73 - H LEU 76 OK 24 63 - 38 - 3.6/1082=14, 4221=11...(10) HA ALA 71 - H LEU 76 OK 15 68 - 22 - 4211/1089=4, 4214/4.6=4...(9) Peak 869 from nnoeabs.peaks (1.95, 8.54, 118.14 ppm; 3.31 A): 4 out of 15 assignments used, quality = 0.93: * HB2 LEU 76 + H LEU 76 OK 82 100 - 82 - 4.0=54, 1.8/3229=14...(12) HB2 GLU 77 + H LEU 76 OK 34 95 - 36 - 4.0/356=11, 4.1/1098=6...(11) HB3 PRO 81 + H LEU 76 OK 24 73 - 33 - 2.3/4104=5, 2.3/4107=5...(10) HB3 GLU 22 + H LEU 76 OK 24 100 - 24 - 3.0/1090=3, 4454/4.8=3...(10) HG3 PRO 81 - H LEU 76 OK 21 68 - 31 - 1.8/4107=5, 2.3/4106=4...(10) HB2 GLU 33 - H LEU 76 OK 18 100 - 18 - 1.8/871=3, 3.0/3498=2...(9) HB VAL 20 - H LEU 76 OK 17 99 - 17 - 2.1/873=4, 3217/3.0=2...(9) HD2 LYS 78 - H LEU 76 OK 16 71 - 23 - 6.2/1098=4, 1.8/871=4...(8) QE MET 48 - H LEU 76 OK 15 92 - 16 - 4869/4.8=3, 4864/4.0=2...(6) HB VAL 47 - H LEU 76 OK 10 92 - 11 - ~5789=2, 3.0/6051=2, 4.4/4902=1 HG2 PRO 19 - H LEU 76 lone 7 93 - 8 - HB2 GLU 51 - H LEU 76 lone 6 78 - 8 - 3.0/871=1, 3.0/871=1 HB2 GLN 58 - H LEU 76 lone 5 92 - 5 - HG3 PRO 84 - H LEU 76 lone 5 100 - 5 - HG3 GLU 49 - H LEU 76 lone 3 85 - 4 - Peak 870 from nnoeabs.peaks (1.46, 8.54, 118.14 ppm; 3.67 A): 2 out of 8 assignments used, quality = 0.95: * HB3 LEU 76 + H LEU 76 OK 93 100 - 93 - 4.0=74, 1.8/3222=20...(16) HG3 LYS 78 + H LEU 76 OK 35 99 - 35 - 4.9/1098=7, 3218/3.0=4...(14) HD2 LYS 64 - H LEU 76 OK 32 99 - 32 - 2.9/873=5, 2872/4.8=5...(11) HG LEU 79 - H LEU 76 OK 31 95 - 33 - 5.0/5855=6, 2.1/873=4...(11) HB3 LYS 64 - H LEU 76 OK 19 78 - 24 - 3.0/873=5, 3218/3.0=3...(9) HG2 LYS 65 - H LEU 76 OK 14 89 - 16 - 3.0/871=2, 3218/3.0=2...(8) HG LEU 12 - H LEU 76 OK 11 100 - 11 - 3218/3.0=2, ~4266=1, 3225/4.0=1 HB3 ARG 45 - H LEU 76 lone 4 98 - 4 - Peak 871 from nnoeabs.peaks (1.81, 8.54, 118.14 ppm; 3.27 A): 5 out of 13 assignments used, quality = 0.86: * HG LEU 76 + H LEU 76 OK 73 100 - 73 - 4.9=30, 2.1/3243=14...(13) HD3 LYS 78 + H LEU 76 OK 17 73 - 24 - 6.2/1098=4, 2.9/870=3...(11) HB3 GLU 33 + H LEU 76 OK 17 99 - 17 - 1.8/869=2, 360/4.6=2...(9) HB2 LYS 65 + H LEU 76 OK 13 83 - 16 - 4.4/1008=3, 3219/3.0=2...(8) HB2 MET 48 + H LEU 76 OK 12 93 - 13 - 3226/4.0=2, 3219/3.0=2...(6) HG2 GLU 51 - H LEU 76 lone 9 100 - 9 - 3219/3.0=1, 3226/4.0=1 HG3 GLU 51 - H LEU 76 lone 9 100 - 9 - 3219/3.0=1, 3226/4.0=1 HB2 LYS 31 - H LEU 76 lone 5 81 - 6 - 4603/3.6=1 HG3 GLU 37 - H LEU 76 lone 4 83 - 5 - HB2 ARG 28 - H LEU 76 lone 4 81 - 5 - HB2 LYS 44 - H LEU 76 lone 4 99 - 4 - HB2 GLU 37 - H LEU 76 lone 4 99 - 4 - HB2 LYS 91 - H LEU 76 lone 2 92 - 2 - Peak 872 from nnoeabs.peaks (0.88, 8.54, 118.14 ppm; 3.05 A): 4 out of 7 assignments used, quality = 0.94: QB ALA 75 + H LEU 76 OK 75 96 - 78 - 3.6=59, 2.9/1007=16...(15) * QD1 LEU 76 + H LEU 76 OK 68 100 - 68 - 4.8=26, 2.1/3236=12...(12) HD3 LYS 26 + H LEU 76 OK 18 89 - 20 - 4525/3.0=3, ~4524=3...(8) QD2 LEU 30 + H LEU 76 OK 11 96 - 12 - 3220/3.0=2, 3227/4.0=1...(4) QD1 LEU 87 - H LEU 76 lone 9 96 - 10 - 3220/3.0=1, 4.8/1008=1 HB3 LEU 30 - H LEU 76 lone 9 89 - 10 - 3220/3.0=1, 3227/4.0=1 QD1 LEU 85 - H LEU 76 lone 7 98 - 7 - 3220/3.0=1 Peak 873 from nnoeabs.peaks (0.71, 8.54, 118.14 ppm; 3.74 A): 3 out of 5 assignments used, quality = 0.95: * QD2 LEU 76 + H LEU 76 OK 89 100 - 89 - 4.8=48, 2.1/3236=19...(15) HG3 LYS 64 + H LEU 76 OK 41 97 - 42 - 3221/3.0=7, 3235/4.0=5...(13) QG2 VAL 20 + H LEU 76 OK 28 93 - 31 - 3221/3.0=5, 3228/4.0=3...(12) QD1 LEU 79 - H LEU 76 OK 28 81 - 35 - 4.8/5855=6, 3221/3.0=5...(11) QG1 VAL 50 - H LEU 76 OK 27 85 - 32 - 5763/3.6=8, 5039/4.6=6...(10) Peak 874 from nnoeabs.peaks (8.26, 8.26, 115.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 77 + H GLU 77 OK 100 100 - 100 Peak 875 from nnoeabs.peaks (3.87, 8.26, 115.68 ppm; 3.28 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 77 + H GLU 77 OK 100 100 - 100 - 2.9=100 HA GLU 22 - H GLU 77 OK 26 85 - 31 - 3.0/3263=4, 3270/4.0=4...(16) HA ALA 69 - H GLU 77 lone 8 100 - 8 - HA3 GLY 29 - H GLU 77 lone 5 100 - 5 - Peak 876 from nnoeabs.peaks (1.96, 8.26, 115.68 ppm; 3.06 A): 6 out of 15 assignments used, quality = 0.95: * HB2 GLU 77 + H GLU 77 OK 71 100 - 71 - 4.0=44, 1.8/3269=14...(11) HB2 LEU 76 + H GLU 77 OK 55 95 - 58 - 4.6=30, 4.0/356=9...(9) HB3 GLU 22 + H GLU 77 OK 30 90 - 33 - 3263=6, 3.0/875=4...(13) HB2 GLU 33 + H GLU 77 OK 21 90 - 23 - 3.0/878=3, 1.8/360=3...(8) HB3 PRO 81 + H GLU 77 OK 17 97 - 18 - ~6049=4, 3.9/356=4...(7) HB VAL 20 + H GLU 77 OK 14 81 - 17 - 2.1/362=3, 2.1/5808=2...(7) HG2 PRO 19 - H GLU 77 lone 8 100 - 8 - ~4369=1, 3259/2.9=1 HB2 PRO 19 - H GLU 77 lone 6 81 - 7 - ~4369=1, 3259/2.9=1 HB2 GLU 51 - H GLU 77 lone 5 98 - 5 - QE MET 48 - H GLU 77 lone 5 63 - 8 - 4864/4.6=1 HB3 PRO 19 - H GLU 77 lone 5 71 - 7 - ~4369=1 HE3 LYS 68 - H GLU 77 lone 3 63 - 6 - 1.8/878=2 HB2 GLN 58 - H GLU 77 lone 3 100 - 3 - HG3 PRO 84 - H GLU 77 lone 3 97 - 3 - HB VAL 47 - H GLU 77 lone 2 63 - 3 - Peak 877 from nnoeabs.peaks (2.07, 8.26, 115.68 ppm; 3.12 A): 5 out of 8 assignments used, quality = 0.93: * HB3 GLU 77 + H GLU 77 OK 72 100 - 72 - 4.0=47, 1.8/3263=13...(10) HA ALA 75 + H GLU 77 OK 39 92 - 43 - 3.6/356=12, 2.9/1087=7...(10) HG2 GLU 22 + H GLU 77 OK 29 100 - 29 - 1567/2.9=6, 3.0/3263=4...(12) HB3 GLU 25 + H GLU 77 OK 24 63 - 39 - 3.0/879=7, 3.0/878=6...(14) HB2 MET 21 + H GLU 77 OK 23 98 - 23 - 3.0/1095=6, 2.9/879=4...(8) HG3 GLU 33 - H GLU 77 OK 22 99 - 23 - 1.8/878=5, 3.0/360=3...(8) QE MET 21 - H GLU 77 OK 16 97 - 17 - 3.4/879=4, 5.3/1095=3...(5) HG3 GLN 55 - H GLU 77 lone 4 60 - 6 - 5193/4.6=2 Peak 878 from nnoeabs.peaks (2.22, 8.26, 115.68 ppm; 3.73 A): 3 out of 4 assignments used, quality = 0.95: * HG2 GLU 77 + H GLU 77 OK 80 100 - 80 - 5.0=41, 1.8/879=19...(13) HG2 GLU 25 + H GLU 77 OK 59 100 - 59 - 1.8/879=13, 3275=10...(17) HG2 GLU 33 + H GLU 77 OK 32 100 - 32 - 3261/2.9=6, 2061/4.0=5...(11) HE2 LYS 68 - H GLU 77 OK 12 99 - 12 - 3261/2.9=2, 367/4.6=1 Peak 879 from nnoeabs.peaks (2.46, 8.26, 115.68 ppm; 3.51 A): 3 out of 4 assignments used, quality = 0.92: * HG3 GLU 77 + H GLU 77 OK 77 100 - 77 - 5.0=34, 1.8/3275=15...(15) HG3 GLU 25 + H GLU 77 OK 50 95 - 54 - 1.8/878=11, 3281=9...(17) HG3 MET 21 + H GLU 77 OK 29 100 - 29 - 4.0/1095=6, 3262/2.9=5...(11) HB3 ASP 43 - H GLU 77 lone 2 81 - 2 - Peak 880 from nnoeabs.peaks (7.20, 7.20, 115.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 78 + H LYS 78 OK 100 100 - 100 Peak 881 from nnoeabs.peaks (4.26, 7.20, 115.52 ppm; 3.37 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 78 + H LYS 78 OK 100 100 - 100 - 2.9=100 HA LEU 87 - H LYS 78 OK 31 95 - 33 - 2.9/1010=6, 3.6/363=4...(13) HA VAL 52 - H LYS 78 OK 24 92 - 27 - 3.0/5093=4, 5097=3...(13) HA LEU 85 - H LYS 78 OK 18 100 - 18 - 3.6/363=3, 3308/4.0=2...(7) HA ASP 53 - H LYS 78 OK 11 85 - 13 - 4.8/5097=2, 3298/4.0=1 HA ALA 89 - H LYS 78 lone 6 100 - 6 - HA3 GLY 39 - H LYS 78 lone 4 92 - 4 - Peak 882 from nnoeabs.peaks (1.99, 7.20, 115.52 ppm; 3.10 A): 7 out of 12 assignments used, quality = 0.93: * HB2 LYS 78 + H LYS 78 OK 73 100 - 73 - 4.0=48, 1.8/3307=13...(11) HB2 GLU 25 + H LYS 78 OK 31 100 - 31 - 4165/3.6=7, 1649/4.9=4...(10) HB3 PRO 19 + H LYS 78 OK 23 97 - 24 - 2.3/883=4, 3289/2.9=2...(10) HB2 PRO 19 + H LYS 78 OK 22 93 - 23 - 2.3/883=4, 3289/2.9=2...(10) HB3 PRO 81 + H LYS 78 OK 20 73 - 27 - 2.3/883=5, 3.0/5910=4...(11) HB2 LEU 23 + H LYS 78 OK 16 78 - 20 - 3.1/4483=6, 3.0/1097=3...(5) HG2 PRO 84 + H LYS 78 OK 13 100 - 13 - 2.3/883=2, 3289/2.9=2...(5) HB2 GLU 51 - H LYS 78 poor 9 68 - 13 - 1.8/884=2, 4.6/5093=2...(5) HE3 LYS 68 - H LYS 78 lone 9 99 - 9 - 1.8/367=1 HG2 GLU 49 - H LYS 78 poor 8 78 - 11 - 3289/2.9=1, ~3293=1...(5) HB3 GLU 49 - H LYS 78 poor 8 73 - 10 - 1.8/883=2, 3289/2.9=1 HB2 LEU 34 - H LYS 78 lone 3 100 - 3 - Peak 883 from nnoeabs.peaks (1.87, 7.20, 115.52 ppm; 3.15 A): 5 out of 12 assignments used, quality = 0.91: * HB3 LYS 78 + H LYS 78 OK 75 100 - 75 - 4.0=50, 1.8/3297=14...(10) HG2 PRO 81 + H LYS 78 OK 33 97 - 34 - 2.3/5910=5, 1.8/886=5...(12) HG3 PRO 19 + H LYS 78 OK 29 100 - 29 - 2.3/882=3, 3290/2.9=3...(12) HB2 GLU 22 + H LYS 78 OK 14 63 - 22 - 3.0/364=4, 1.8/4083=4...(7) HB3 PRO 84 + H LYS 78 OK 14 90 - 15 - 3290/2.9=2, 3300/4.0=2...(6) HB2 GLU 49 - H LYS 78 poor 10 71 - 13 - 3.0/886=2, 3290/2.9=1...(5) HB3 MET 11 - H LYS 78 lone 7 78 - 8 - 4.2/5823=2 HB2 MET 11 - H LYS 78 lone 6 73 - 8 - 4.2/5823=2 HB ILE 35 - H LYS 78 lone 6 100 - 6 - HB3 GLU 37 - H LYS 78 lone 6 98 - 6 - HB3 GLN 58 - H LYS 78 lone 5 81 - 6 - 4.6/1010=1 HB VAL 66 - H LYS 78 lone 3 63 - 5 - 4.0/363=3 Peak 884 from nnoeabs.peaks (1.70, 7.20, 115.52 ppm; 4.15 A): 2 out of 9 assignments used, quality = 0.94: * HG2 LYS 78 + H LYS 78 OK 90 100 - 90 - 4.9=60, 2.8/3297=17...(15) HB2 LEU 30 + H LYS 78 OK 37 97 - 38 - 3291/2.9=5, 3.1/5811=4...(13) HB3 ARG 27 - H LYS 78 OK 28 100 - 28 - 3291/2.9=4, 3311/4.0=4...(9) HB3 GLU 51 - H LYS 78 OK 25 87 - 29 - 4.6/5093=4, 3291/2.9=4...(14) HB3 LYS 31 - H LYS 78 OK 25 100 - 25 - 3291/2.9=3, 3301/4.0=3...(10) HB3 LYS 17 - H LYS 78 OK 12 85 - 14 - 3291/2.9=1, 2.9/5809=1...(6) HB3 LYS 91 - H LYS 78 OK 11 93 - 12 - 3291/2.9=2, 3301/4.0=2...(5) HB2 LYS 17 - H LYS 78 OK 11 83 - 14 - 3291/2.9=1, 2.9/5809=1...(6) HD3 LYS 31 - H LYS 78 lone 4 63 - 6 - 3.6/887=2 Peak 885 from nnoeabs.peaks (1.46, 7.20, 115.52 ppm; 3.96 A): 3 out of 8 assignments used, quality = 0.98: * HG3 LYS 78 + H LYS 78 OK 88 100 - 88 - 4.9=52, 1.8/3317=16...(17) HB3 LEU 76 + H LYS 78 OK 69 99 - 70 - 2.9/4240=12, 4.6/1009=12...(20) HG LEU 79 + H LYS 78 OK 57 85 - 67 - 2.1/5870=11, 2.1/5866=10...(18) HG2 LYS 65 - H LYS 78 OK 32 97 - 33 - 1.8/5809=3, 3292/2.9=3...(13) HG LEU 12 - H LYS 78 OK 26 99 - 26 - 374/4.6=3, 5.2/5823=2...(11) HD2 LYS 64 - H LYS 78 OK 19 100 - 19 - 359/4.6=2, 3302/4.0=2...(7) HB3 LYS 64 - H LYS 78 OK 16 90 - 18 - 4.6/5823=3, 359/4.6=2...(8) HB3 ARG 45 - H LYS 78 lone 5 100 - 5 - Peak 886 from nnoeabs.peaks (1.92, 7.20, 115.52 ppm; 3.40 A): 8 out of 12 assignments used, quality = 0.95: * HD2 LYS 78 + H LYS 78 OK 68 100 - 68 - 6.2=17, 3338/2.9=12...(14) HG3 PRO 81 + H LYS 78 OK 37 100 - 38 - 1.8/883=6, 2.3/5910=6...(12) HB2 LEU 76 + H LYS 78 OK 37 71 - 53 - 2.9/4240=10, 4.6/1009=8...(16) HB3 GLU 22 + H LYS 78 OK 21 78 - 27 - 3.0/364=5, 3.0/366=3...(10) HG3 GLU 49 + H LYS 78 OK 17 99 - 17 - 3293/2.9=3, 3303/4.0=2...(7) HB2 GLU 33 + H LYS 78 OK 16 78 - 21 - 2049/4.1=3, 3.0/367=3...(6) HB VAL 20 + H LYS 78 OK 12 89 - 14 - 6154/3.6=3, 2.1/5811=2 QE MET 48 + H LYS 78 OK 11 97 - 11 - 3293/2.9=1, 4864/4.9=1 HG3 PRO 84 - H LYS 78 poor 9 63 - 14 - 2.3/883=2, 3293/2.9=2...(6) HB2 MET 11 - H LYS 78 lone 7 65 - 10 - 4.2/5823=2, 1.8/883=1 HB VAL 47 - H LYS 78 lone 6 97 - 6 - HB3 MET 11 - H LYS 78 lone 6 60 - 9 - 4.2/5823=2, 1.8/883=1 Peak 887 from nnoeabs.peaks (1.78, 7.20, 115.52 ppm; 4.11 A): 3 out of 14 assignments used, quality = 0.96: * HD3 LYS 78 + H LYS 78 OK 84 100 - 84 - 6.2=29, 3348/2.9=16...(15) QB ALA 74 + H LYS 78 OK 51 99 - 52 - 2.1/1100=17, 4.4/4235=8...(13) HG LEU 76 + H LYS 78 OK 44 73 - 61 - 2.1/5786=12, 3.6/4240=11...(17) HB2 LYS 65 - H LYS 78 OK 39 100 - 39 - 1.8/5189=4, 4.4/363=4...(14) HB2 ARG 27 - H LYS 78 OK 27 99 - 27 - 1.8/884=4, 3294/2.9=3...(9) HB2 LYS 31 - H LYS 78 OK 23 100 - 23 - 1.8/884=4, 4599/2.9=4...(8) HG2 GLU 51 - H LYS 78 OK 17 73 - 23 - 3.0/884=3, 3294/2.9=2...(11) HG3 GLU 51 - H LYS 78 OK 16 71 - 22 - 3.0/884=3, 3294/2.9=2...(11) HB2 MET 48 - H LYS 78 OK 13 97 - 13 - 4.0/886=1 HB2 LYS 91 - H LYS 78 OK 12 98 - 12 - 1.8/884=2, 3294/2.9=1...(6) HG3 GLU 37 - H LYS 78 OK 11 100 - 11 - 3314/4.0=1, 3294/2.9=1...(4) QE MET 11 - H LYS 78 OK 11 92 - 12 - HB2 ARG 28 - H LYS 78 lone 8 100 - 8 - HB3 ARG 28 - H LYS 78 lone 7 89 - 7 - Peak 890 from nnoeabs.peaks (8.19, 8.19, 115.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 79 + H LEU 79 OK 100 100 - 100 Peak 891 from nnoeabs.peaks (4.01, 8.19, 115.31 ppm; 3.32 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 79 + H LEU 79 OK 100 100 - 100 - 2.9=100 HD2 PRO 19 - H LEU 79 OK 44 89 - 50 - 2.3/372=6, 3385/4.0=4...(21) HA PRO 19 - H LEU 79 OK 35 85 - 41 - 1456/2.9=8, 2.3/371=5...(14) HB3 SER 62 - H LEU 79 lone 4 89 - 4 - Peak 892 from nnoeabs.peaks (1.25, 8.19, 115.31 ppm; 3.24 A): 3 out of 9 assignments used, quality = 0.92: * HB2 LEU 79 + H LEU 79 OK 84 100 - 84 - 4.0=52, 1.8/893=32...(14) HB3 LEU 23 + H LEU 79 OK 38 99 - 38 - 3.1/896=6, 3379/2.9=5...(14) HG3 LYS 65 + H LEU 79 OK 20 96 - 21 - 1.8/374=3, 3.0/3988=2...(9) HG3 LYS 56 - H LEU 79 OK 16 63 - 26 - 1.8/2639=4, 2.9/2619=4...(8) HG13 ILE 35 - H LEU 79 OK 11 78 - 14 - 2.1/4718=3, 1.8/4720=2...(4) HG2 LYS 17 - H LEU 79 OK 11 95 - 12 - 3379/2.9=1, 2.9/373=1 HD3 LYS 68 - H LEU 79 OK 11 71 - 16 - 3.0/896=2, 3393/4.0=2...(6) HD2 LYS 68 - H LEU 79 OK 10 68 - 15 - 3.0/896=2, 3393/4.0=2...(7) HG3 LYS 17 - H LEU 79 poor 10 85 - 12 - 2.9/373=1 Peak 893 from nnoeabs.peaks (0.38, 8.19, 115.31 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.87: * HB3 LEU 79 + H LEU 79 OK 87 100 - 87 - 4.0=64, 1.8/3384=16...(14) Peak 894 from nnoeabs.peaks (1.48, 8.19, 115.31 ppm; 3.09 A): 4 out of 9 assignments used, quality = 0.94: * HG LEU 79 + H LEU 79 OK 73 100 - 73 - 5.0=24, 3.0/893=21...(15) HG3 LYS 78 + H LEU 79 OK 45 85 - 53 - 2.8/4089=9, 2.8/4088=8...(17) HB3 LEU 76 + H LEU 79 OK 41 95 - 43 - 2.9/6158=8, 4.0/5855=5...(17) HG LEU 12 + H LEU 79 OK 29 96 - 31 - 2.1/895=4, 3401/4.0=4...(11) HB2 LYS 56 - H LEU 79 OK 17 68 - 25 - 1.8/2629=4, 2619=4...(9) QB ALA 72 - H LEU 79 OK 12 87 - 14 - 5672/4.0=2, 3381/2.9=1 HD2 LYS 64 - H LEU 79 lone 7 83 - 9 - HG2 GLU 37 - H LEU 79 lone 3 65 - 4 - HB3 ARG 45 - H LEU 79 lone 2 78 - 3 - Peak 895 from nnoeabs.peaks (0.74, 8.19, 115.31 ppm; 3.34 A): 4 out of 6 assignments used, quality = 0.94: * QD1 LEU 79 + H LEU 79 OK 81 100 - 82 - 4.8=34, 3.1/893=24...(16) QD2 LEU 76 + H LEU 79 OK 38 81 - 47 - 4.0/6158=8, 3.1/374=5...(17) QD1 LEU 12 + H LEU 79 OK 32 98 - 33 - 3382/2.9=5, 2.1/894=5...(11) QG2 VAL 20 + H LEU 79 OK 24 99 - 25 - 3382/2.9=4, 4402/4.0=4...(8) QG1 VAL 20 - H LEU 79 OK 24 98 - 24 - 3382/2.9=4, 4415/4.6=3...(8) HG2 LYS 26 - H LEU 79 OK 11 97 - 11 - 3.0/5834=2, 3382/2.9=1 Peak 896 from nnoeabs.peaks (0.78, 8.19, 115.31 ppm; 3.35 A): 3 out of 5 assignments used, quality = 0.94: * QD2 LEU 79 + H LEU 79 OK 83 100 - 83 - 4.8=34, 3.1/893=24...(17) QD1 LEU 23 + H LEU 79 OK 49 100 - 50 - 3383/2.9=8, 1616/4.0=6...(17) QD1 LEU 30 + H LEU 79 OK 29 92 - 31 - 6033/3.6=3, 3383/2.9=3...(12) QD1 LEU 73 - H LEU 79 OK 19 98 - 20 - 6145/4.4=2, 3383/2.9=2...(8) HG3 LYS 68 - H LEU 79 OK 18 87 - 21 - 3383/2.9=3, 3397/4.0=3...(8) Peak 897 from nnoeabs.peaks (7.86, 7.86, 116.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 80 + H PHE 80 OK 100 100 - 100 Peak 898 from nnoeabs.peaks (5.05, 7.86, 116.55 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 80 + H PHE 80 OK 100 100 - 100 - 3.0=100 HA VAL 47 - H PHE 80 OK 37 100 - 37 - 3426/4.0=6, 3432/4.0=6...(12) Peak 899 from nnoeabs.peaks (3.18, 7.86, 116.55 ppm; 3.30 A): 2 out of 6 assignments used, quality = 0.93: * HB2 PHE 80 + H PHE 80 OK 83 100 - 83 - 4.0=56, 1.8/900=17...(11) HD3 PRO 81 + H PHE 80 OK 61 78 - 78 - 4.8=33, 1.8/5879=21...(16) HB2 PHE 57 - H PHE 80 OK 17 95 - 18 - 4.4/902=4, 3421/3.0=3...(8) HD2 ARG 27 - H PHE 80 OK 12 99 - 13 - 3445/4.4=2, 3421/3.0=2...(6) HD2 ARG 28 - H PHE 80 lone 4 89 - 5 - HB3 HIS 42 - H PHE 80 lone 1 73 - 1 - Peak 900 from nnoeabs.peaks (2.91, 7.86, 116.55 ppm; 3.51 A): 5 out of 8 assignments used, quality = 0.93: * HB3 PHE 80 + H PHE 80 OK 87 100 - 87 - 4.0=67, 1.8/899=18...(10) HB2 ASN 24 + H PHE 80 OK 21 96 - 22 - 1630=4, 3422/3.0=4...(8) HB2 ASN 63 + H PHE 80 OK 14 100 - 14 - 5411=3, 1.8/5410=2...(6) HE3 LYS 65 + H PHE 80 OK 13 71 - 18 - 3.8/381=3, 3.8/2937=2...(8) HE2 LYS 65 + H PHE 80 OK 10 60 - 17 - 3.8/381=3, 3.8/2937=2...(6) HB2 ASP 53 - H PHE 80 lone 6 95 - 6 - HE2 LYS 14 - H PHE 80 lone 6 100 - 6 - 3422/3.0=1 HE3 LYS 14 - H PHE 80 lone 6 100 - 6 - Peak 901 from nnoeabs.peaks (7.03, 7.86, 116.55 ppm; 4.80 A): 2 out of 4 assignments used, quality = 0.96: * QE PHE 80 + H PHE 80 OK 94 100 - 94 - 6.3=45, 4728/4.6=28...(20) QD PHE 46 + H PHE 80 OK 36 90 - 40 - 3423/3.0=9, 3447/4.4=8...(9) HE ARG 45 - H PHE 80 OK 12 87 - 13 - 3423/3.0=3, 3435/4.0=2...(6) HD2 HIS 10 - H PHE 80 lone 4 65 - 6 - Peak 902 from nnoeabs.peaks (7.20, 7.86, 116.55 ppm; 3.26 A): 3 out of 3 assignments used, quality = 0.95: * QD PHE 80 + H PHE 80 OK 81 100 - 81 - 4.4=40, 4584/3.0=17...(17) H LYS 78 + H PHE 80 OK 51 99 - 52 - 4.6/379=10, 5823=8...(17) QE PHE 57 + H PHE 80 OK 40 99 - 40 - 3424/3.0=6, 3430/4.0=5...(15) Peak 903 from nnoeabs.peaks (8.54, 8.54, 120.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 82 + H ASP 82 OK 100 100 - 100 Peak 904 from nnoeabs.peaks (4.62, 8.54, 120.09 ppm; 3.32 A): 1 out of 10 assignments used, quality = 1.00: * HA ASP 82 + H ASP 82 OK 100 100 - 100 - 3.0=100 HA GLU 33 - H ASP 82 OK 11 92 - 12 - 3498=3, 3500/4.0=1...(4) HA ASP 43 - H ASP 82 lone 7 96 - 7 - 2236/4.0=1, 3.0/906=1 HA ASN 63 - H ASP 82 lone 3 100 - 3 - 2.9/5405=1 HA ARG 27 - H ASP 82 lone 3 100 - 3 - HA ASN 24 - H ASP 82 lone 2 97 - 3 - HA LEU 12 - H ASP 82 lone 2 97 - 2 - HA LYS 31 - H ASP 82 lone 1 83 - 2 - HA THR 38 - H ASP 82 lone 1 100 - 1 - HA HIS 42 - H ASP 82 lone 1 92 - 1 - Peak 905 from nnoeabs.peaks (2.69, 8.54, 120.09 ppm; 3.38 A): 2 out of 4 assignments used, quality = 0.80: * HB2 ASP 82 + H ASP 82 OK 74 100 - 74 - 4.0=59, 1.8/906=24, 4.6/1012=13 HB2 ASP 88 + H ASP 82 OK 26 83 - 32 - 1.8/906=10, 3502=8...(7) HE3 LYS 44 - H ASP 82 lone 1 65 - 1 - HB3 ASN 90 - H ASP 82 lone 0 60 - 1 - Peak 906 from nnoeabs.peaks (2.59, 8.54, 120.09 ppm; 3.08 A): 2 out of 4 assignments used, quality = 0.73: * HB3 ASP 82 + H ASP 82 OK 63 100 - 63 - 4.0=45, 1.8/905=22...(4) HB3 ASP 88 + H ASP 82 OK 27 98 - 28 - 3506=8, 1.8/905=8...(8) HB2 PHE 46 - H ASP 82 lone 7 99 - 7 - 1.8/6194=2, 3501/3.0=2 HB2 ASP 43 - H ASP 82 lone 4 92 - 5 - 2239/3.0=2, 3.0/904=1 Peak 907 from nnoeabs.peaks (8.07, 8.07, 116.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 83 + H THR 83 OK 100 100 - 100 Peak 908 from nnoeabs.peaks (4.57, 8.07, 116.49 ppm; 2.89 A): 1 out of 3 assignments used, quality = 0.97: * HA THR 83 + H THR 83 OK 97 100 - 97 - 3.0=94, 3.0/3514=16...(7) HA SER 36 - H THR 83 lone 9 99 - 9 - 3515/3.8=2, 3519/3.9=2...(4) HA HIS 10 - H THR 83 lone 2 89 - 2 - Peak 909 from nnoeabs.peaks (4.12, 8.07, 116.49 ppm; 3.25 A): 1 out of 7 assignments used, quality = 0.82: * HB THR 83 + H THR 83 OK 82 100 - 82 - 3.8=61, 3.0/908=25...(6) HA LYS 26 - H THR 83 lone 6 81 - 7 - 3512/3.0=2, 3520/3.9=2 HA MET 21 - H THR 83 lone 3 83 - 4 - 3520/3.9=1, 3512/3.0=1 HB2 SER 62 - H THR 83 lone 3 99 - 2 - HA ALA 74 - H THR 83 lone 2 71 - 3 - 4227/4.5=2 HA LYS 14 - H THR 83 lone 2 73 - 3 - HA LYS 91 - H THR 83 lone 1 78 - 2 - Peak 910 from nnoeabs.peaks (1.21, 8.07, 116.49 ppm; 3.69 A): 1 out of 8 assignments used, quality = 0.94: * QG2 THR 83 + H THR 83 OK 94 100 - 94 - 3.9=82, 2.1/3514=33...(6) QD1 LEU 34 - H THR 83 OK 10 100 - 10 - 3513/3.0=2, 5951/4.8=1...(4) HD2 LYS 68 - H THR 83 OK 10 95 - 11 - 5951/4.8=2, 3513/3.0=2...(5) HG3 LYS 26 - H THR 83 OK 10 99 - 10 - 3513/3.0=3, 3517/3.8=3 HD3 LYS 68 - H THR 83 poor 10 93 - 11 - 5951/4.8=2, 3513/3.0=2...(5) HG13 ILE 35 - H THR 83 poor 10 89 - 11 - 5951/4.8=3, 3513/3.0=2...(4) HG2 LYS 14 - H THR 83 lone 4 97 - 4 - HG2 LYS 17 - H THR 83 lone 2 68 - 3 - Peak 911 from nnoeabs.peaks (8.31, 8.31, 122.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 85 + H LEU 85 OK 100 100 - 100 Peak 912 from nnoeabs.peaks (4.26, 8.31, 122.42 ppm; 3.56 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 85 + H LEU 85 OK 100 100 - 100 - 2.9=100 HA LEU 87 + H LEU 85 OK 51 90 - 57 - 3571=10, 3.0/3585=7...(23) HA LYS 78 - H LEU 85 OK 16 100 - 16 - 5813/4.0=3, 3.0/399=2...(7) HA ALA 89 - H LEU 85 lone 6 99 - 6 - 405/4.6=1 HA ASP 53 - H LEU 85 lone 6 78 - 7 - 3571=1 HA VAL 52 - H LEU 85 lone 5 96 - 5 - HA3 GLY 39 - H LEU 85 lone 2 96 - 2 - Peak 913 from nnoeabs.peaks (1.51, 8.31, 122.42 ppm; 3.65 A): 2 out of 16 assignments used, quality = 0.96: * HB2 LEU 85 + H LEU 85 OK 91 100 - 91 - 4.0=76, 4.3/404=20...(17) HB3 LEU 87 + H LEU 85 OK 53 85 - 63 - 3578=12, 1.8/3585=10...(29) HB3 LYS 26 - H LEU 85 OK 11 100 - 11 - 1695/4.7=2, 1694/4.7=2...(4) HD3 LYS 64 - H LEU 85 lone 7 97 - 8 - 2.9/2847=1, 2.9/2857=1 QB ALA 71 - H LEU 85 lone 7 99 - 7 - HG LEU 30 - H LEU 85 poor 7 65 - 10 - ~6033=1, 3.0/916=1, 2.1/916=1 HG2 GLU 37 - H LEU 85 lone 6 97 - 6 - 3.0/399=1 HG LEU 34 - H LEU 85 lone 6 100 - 6 - 2.1/4683=1 HB2 LYS 56 - H LEU 85 lone 5 96 - 5 - QB ALA 72 - H LEU 85 lone 5 83 - 6 - HB2 ARG 45 - H LEU 85 lone 5 100 - 4 - 3.0/397=1 HD2 LYS 17 - H LEU 85 lone 3 100 - 3 - HD3 LYS 17 - H LEU 85 lone 3 100 - 3 - HG3 ARG 27 - H LEU 85 lone 3 100 - 3 - HD2 LYS 56 - H LEU 85 lone 3 85 - 3 - HB3 LYS 44 - H LEU 85 lone 1 63 - 2 - Peak 914 from nnoeabs.peaks (1.59, 8.31, 122.42 ppm; 3.17 A): 4 out of 12 assignments used, quality = 0.97: * HB3 LEU 85 + H LEU 85 OK 75 100 - 75 - 4.0=50, 4.3/404=14...(16) HG LEU 85 + H LEU 85 OK 54 93 - 58 - 5.1=24, 3.0/913=9...(18) HB2 LEU 87 + H LEU 85 OK 50 99 - 51 - 3585=8, 1.8/913=7...(22) HG LEU 87 + H LEU 85 OK 40 85 - 48 - 3.0/3585=6, 2.1/3606=5...(22) HB2 LYS 68 - H LEU 85 lone 7 96 - 7 - 5954/3.6=1 HG LEU 73 - H LEU 85 lone 5 63 - 8 - 2.1/917=2, 5954/3.6=1 HG LEU 23 - H LEU 85 lone 5 83 - 6 - HB2 LEU 12 - H LEU 85 lone 4 99 - 4 - 4260/403=1 HD3 LYS 65 - H LEU 85 lone 3 97 - 3 - HD2 LYS 65 - H LEU 85 lone 3 95 - 3 - HD2 LYS 14 - H LEU 85 lone 1 99 - 1 - HD3 LYS 14 - H LEU 85 lone 1 99 - 1 - Peak 915 from nnoeabs.peaks (1.60, 8.31, 122.42 ppm; 3.17 A): 4 out of 12 assignments used, quality = 0.97: HB3 LEU 85 + H LEU 85 OK 70 93 - 75 - 4.0=50, 4.3/404=14...(16) * HG LEU 85 + H LEU 85 OK 58 100 - 58 - 5.1=24, 3.0/913=9...(18) HB2 LEU 87 + H LEU 85 OK 50 99 - 51 - 3585=8, 1.8/913=7...(22) HG LEU 87 + H LEU 85 OK 48 100 - 48 - 3592=6, 3.0/3585=6...(21) HG LEU 73 - H LEU 85 lone 8 93 - 8 - 2.1/917=2, 5954/3.6=1, 3592=1 HB2 LYS 68 - H LEU 85 lone 7 100 - 7 - 5954/3.6=1 HG LEU 23 - H LEU 85 lone 6 99 - 6 - HB2 LEU 12 - H LEU 85 lone 4 99 - 4 - 4260/403=1 HD3 LYS 65 - H LEU 85 lone 2 73 - 3 - HD2 LYS 65 - H LEU 85 lone 2 65 - 3 - HD2 LYS 14 - H LEU 85 lone 1 81 - 1 - HD3 LYS 14 - H LEU 85 lone 1 78 - 1 - Peak 916 from nnoeabs.peaks (0.89, 8.31, 122.42 ppm; 4.77 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 85 + H LEU 85 OK 100 100 - 100 - 4.7=100 QD1 LEU 87 + H LEU 85 OK 80 100 - 81 - 2.1/3606=12, 3.1/3585=11...(31) HD3 LYS 26 - H LEU 85 OK 21 99 - 21 - 1734/4.7=3, 1.8/917=3...(9) HB3 LEU 30 - H LEU 85 OK 18 99 - 19 - ~6033=2, 1894/4.0=2...(7) QD1 LEU 76 - H LEU 85 OK 14 98 - 14 - 4080/4.6=3, 5955/3.6=2 QD2 LEU 30 - H LEU 85 OK 14 81 - 17 - ~6033=3, 2.1/913=1...(7) QD2 LEU 23 - H LEU 85 OK 13 76 - 17 - 1610/4.0=2, 4478/4.0=2...(6) QB ALA 75 - H LEU 85 lone 7 81 - 9 - 5955/3.6=2, 409/4.6=2 Peak 917 from nnoeabs.peaks (0.84, 8.31, 122.42 ppm; 4.82 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 85 + H LEU 85 OK 100 100 - 100 - 4.7=100 QD2 LEU 87 + H LEU 85 OK 79 99 - 81 - 3606=13, 2.1/916=12...(29) QG2 ILE 35 - H LEU 85 OK 37 95 - 40 - 2125/3.6=10, 3.2/397=8...(9) QD2 LEU 73 - H LEU 85 OK 34 100 - 34 - 5714/3.6=7, 6147/4.3=5...(10) HD2 LYS 26 - H LEU 85 OK 21 95 - 22 - 1.8/916=3, 1725/4.7=3...(8) QG2 VAL 47 - H LEU 85 OK 18 100 - 18 - 6169/4.3=2, 6192/4.3=2...(7) QG1 VAL 47 - H LEU 85 OK 18 92 - 19 - 6192/4.3=4, 6168/4.3=1...(4) Peak 918 from nnoeabs.peaks (8.25, 8.25, 124.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 86 + H ALA 86 OK 100 100 - 100 Peak 919 from nnoeabs.peaks (4.29, 8.25, 124.92 ppm; 3.32 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 86 + H ALA 86 OK 100 100 - 100 - 3.0=100 HA VAL 52 - H ALA 86 lone 4 83 - 5 - 412/4.6=2 HA3 GLY 39 - H ALA 86 lone 2 83 - 2 - HA MET 11 - H ALA 86 lone 1 65 - 1 - Peak 920 from nnoeabs.peaks (1.34, 8.25, 124.92 ppm; 2.92 A): 1 out of 9 assignments used, quality = 1.00: * QB ALA 86 + H ALA 86 OK 100 100 - 100 - 2.9=100 QB ALA 89 - H ALA 86 OK 13 92 - 15 - 3616=3, 3615/3.0=3...(6) HB2 LYS 64 - H ALA 86 lone 4 81 - 5 - 4.0/404=1 HB VAL 50 - H ALA 86 lone 2 90 - 3 - HG2 LYS 68 - H ALA 86 lone 2 65 - 3 - HG2 LYS 91 - H ALA 86 lone 1 97 - 1 - HG3 LYS 91 - H ALA 86 lone 1 97 - 1 - HG3 ARG 45 - H ALA 86 lone 1 76 - 1 - HG2 LYS 44 - H ALA 86 lone 1 60 - 1 - Peak 921 from nnoeabs.peaks (8.19, 8.19, 121.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 87 + H LEU 87 OK 100 100 - 100 Peak 922 from nnoeabs.peaks (4.24, 8.19, 121.50 ppm; 3.15 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 87 + H LEU 87 OK 100 100 - 100 - 2.9=100 HA LEU 85 - H LEU 87 OK 44 90 - 49 - 3.6/1015=12, 3.0/923=6...(20) HA LYS 78 - H LEU 87 OK 32 95 - 34 - 2.9/1010=5, 3.0/4089=4...(12) HA LEU 30 - H LEU 87 OK 24 87 - 28 - 4.0/6205=3, 3.7/924=3...(13) HA ASP 53 - H LEU 87 OK 13 99 - 13 - 4.8/412=1, 3619=1 HA ALA 89 - H LEU 87 OK 12 98 - 12 - 2.1/413=3, 3675/3.7=2 HA VAL 52 - H LEU 87 poor 7 63 - 10 - 6130/2.9=2 HA3 GLY 39 - H LEU 87 lone 1 63 - 2 - Peak 923 from nnoeabs.peaks (1.60, 8.19, 121.50 ppm; 2.90 A): 4 out of 12 assignments used, quality = 0.93: * HB2 LEU 87 + H LEU 87 OK 64 100 - 64 - 3.9=41, 1.8/924=10...(15) HG LEU 87 + H LEU 87 OK 45 97 - 47 - 5.2=17, 3.0/924=7...(15) HB3 LEU 85 + H LEU 87 OK 44 99 - 45 - 4.3/1014=8, 3626=6...(16) HG LEU 85 + H LEU 87 OK 38 99 - 38 - 3.0/3626=5, 3.0/924=4...(15) HG LEU 73 - H LEU 87 lone 5 83 - 6 - HG LEU 23 - H LEU 87 lone 5 96 - 5 - HD3 LYS 65 - H LEU 87 lone 3 87 - 3 - HB2 LYS 68 - H LEU 87 lone 3 100 - 3 - HD2 LYS 65 - H LEU 87 lone 2 81 - 3 - HB2 LEU 12 - H LEU 87 lone 2 100 - 2 - HD2 LYS 14 - H LEU 87 lone 1 92 - 1 - HD3 LYS 14 - H LEU 87 lone 1 90 - 1 - Peak 924 from nnoeabs.peaks (1.53, 8.19, 121.50 ppm; 3.42 A): 3 out of 13 assignments used, quality = 0.95: * HB3 LEU 87 + H LEU 87 OK 83 100 - 83 - 3.9=68, 1.8/925=13...(18) HB2 LEU 85 + H LEU 87 OK 49 85 - 58 - 4.3/1014=11, 1.8/923=9...(27) HG LEU 30 + H LEU 87 OK 38 99 - 39 - 2.1/6205=5, 1898/2.9=5...(16) HD2 LYS 56 - H LEU 87 OK 16 100 - 16 - 3.0/2639=2, 3.4/2619=2...(6) HB3 LYS 26 - H LEU 87 poor 9 93 - 10 - 1695/4.7=1, 1694/4.7=1 QB ALA 71 - H LEU 87 lone 5 96 - 5 - HG3 ARG 27 - H LEU 87 lone 4 93 - 4 - HD3 LYS 64 - H LEU 87 lone 3 99 - 3 - HB3 LYS 44 - H LEU 87 lone 3 98 - 3 - HG LEU 34 - H LEU 87 lone 3 89 - 3 - HD2 LYS 17 - H LEU 87 lone 2 76 - 3 - HD3 LYS 17 - H LEU 87 lone 2 76 - 3 - HB2 ARG 45 - H LEU 87 lone 1 76 - 1 - Peak 925 from nnoeabs.peaks (1.61, 8.19, 121.50 ppm; 2.90 A): 4 out of 13 assignments used, quality = 0.92: HB2 LEU 87 + H LEU 87 OK 61 97 - 63 - 3.9=41, 1.8/924=10...(15) * HG LEU 87 + H LEU 87 OK 47 100 - 47 - 5.2=17, 3.0/924=7...(15) HG LEU 85 + H LEU 87 OK 38 100 - 38 - 3.0/3626=5, 3.0/924=4...(14) HB3 LEU 85 + H LEU 87 OK 37 85 - 44 - 4.3/1014=8, 1.8/924=6...(16) HG LEU 73 - H LEU 87 lone 6 98 - 6 - HG LEU 23 - H LEU 87 lone 5 100 - 5 - HB2 LYS 68 - H LEU 87 lone 3 99 - 3 - HB2 LEU 12 - H LEU 87 lone 2 97 - 2 - HD3 LYS 65 - H LEU 87 lone 2 60 - 2 - HD3 LYS 91 - H LEU 87 lone 1 65 - 1 - HD2 LYS 91 - H LEU 87 lone 1 63 - 1 - HD2 LYS 14 - H LEU 87 lone 1 68 - 1 - HD3 LYS 14 - H LEU 87 lone 1 65 - 1 - Peak 926 from nnoeabs.peaks (0.89, 8.19, 121.50 ppm; 4.70 A): 4 out of 8 assignments used, quality = 1.00: * QD1 LEU 87 + H LEU 87 OK 100 100 - 100 - 4.7=100 QD1 LEU 85 + H LEU 87 OK 75 100 - 75 - 3.1/3626=11, 2.1/3654=10...(30) HB3 LEU 30 + H LEU 87 OK 65 100 - 65 - 3.1/6205=10, 1891/2.9=9...(25) QD2 LEU 30 + H LEU 87 OK 46 73 - 63 - 2.1/6204=9, 6205=9...(23) HD3 LYS 26 - H LEU 87 OK 24 100 - 24 - 1734/4.7=3, 1.8/927=3...(8) QD1 LEU 76 - H LEU 87 OK 19 96 - 20 - 4.0/6158=5, 4080/4.6=3 QD2 LEU 23 - H LEU 87 OK 17 83 - 20 - 1610/3.9=3, 1610/5.2=2...(5) QB ALA 75 - H LEU 87 OK 15 73 - 21 - 2.1/5746=6, 5.0/6158=4...(5) Peak 927 from nnoeabs.peaks (0.84, 8.19, 121.50 ppm; 4.72 A): 3 out of 9 assignments used, quality = 1.00: * QD2 LEU 87 + H LEU 87 OK 100 100 - 100 - 4.7=100 QD2 LEU 85 + H LEU 87 OK 78 99 - 79 - 3654=12, 3.1/3626=11...(33) QD2 LEU 30 + H LEU 87 OK 46 71 - 65 - 2.1/6204=9, 6205=9...(24) QD2 LEU 73 - H LEU 87 OK 25 100 - 25 - 3200/3.9=3, 3200/5.2=3...(10) HD2 LYS 26 - H LEU 87 OK 25 99 - 25 - 1725/4.7=3, 1721/3.9=3...(9) QB ALA 75 - H LEU 87 OK 14 71 - 20 - 2.1/5746=6, 5.0/6158=4...(5) QG2 ILE 35 - H LEU 87 poor 10 83 - 11 - 4710=2, 3.1/4718=2, 3.2/4720=2 QG2 VAL 47 - H LEU 87 lone 6 100 - 6 - QG1 VAL 47 - H LEU 87 lone 5 78 - 6 - Peak 928 from nnoeabs.peaks (8.25, 8.25, 120.58 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * H ASP 88 + H ASP 88 OK 100 100 - 100 H GLU 22 + H GLU 22 OK 66 66 - 100 H VAL 66 + H VAL 66 OK 61 61 - 100 Peak 929 from nnoeabs.peaks (4.53, 8.25, 120.58 ppm; 3.25 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 88 + H ASP 88 OK 100 100 - 100 - 3.0=100 HA ASP 88 - H GLU 22 lone 5 81 - 6 - 3661=2, ~1548=1 HA ASP 88 - H VAL 66 lone 4 69 - 6 - 3661=2 HA SER 36 - H VAL 66 lone 2 34 - 5 - 4768/4.0=1, 2154/3.6=1 HA SER 36 - H ASP 88 lone 1 60 - 2 - HA SER 36 - H GLU 22 lone 0 42 - 1 - Peak 930 from nnoeabs.peaks (2.67, 8.25, 120.58 ppm; 3.71 A): 1 out of 9 assignments used, quality = 1.00: * HB2 ASP 88 + H ASP 88 OK 100 100 - 100 - 3.6=100 HB2 ASP 82 - H ASP 88 OK 27 83 - 33 - 1.8/931=8, 3663/3.0=8...(7) HB2 ASP 88 - H GLU 22 lone 5 81 - 6 - 3.0/3661=2, 3665=1...(4) HB2 ASP 88 - H VAL 66 lone 4 69 - 6 - 3.0/3661=2, 3665=2, 1.8/3669=1 HE2 LYS 44 - H GLU 22 lone 4 58 - 7 - 1510/3.6=2, 1524/4.6=1 HE2 LYS 44 - H ASP 88 lone 3 81 - 4 - HE2 LYS 44 - H VAL 66 lone 2 48 - 5 - HB2 ASP 82 - H GLU 22 lone 1 60 - 2 - HB2 ASP 82 - H VAL 66 lone 1 50 - 2 - Peak 931 from nnoeabs.peaks (2.58, 8.25, 120.58 ppm; 3.41 A): 2 out of 12 assignments used, quality = 0.92: * HB3 ASP 88 + H ASP 88 OK 89 100 - 89 - 3.6=87, 4135/4.6=8 HB3 ASP 82 + H ASP 88 OK 28 98 - 29 - 3670/3.0=8, 3669=6...(7) HB3 ASP 88 - H GLU 22 lone 4 81 - 5 - 3.0/3661=1, 3669=1, 1.8/930=1 HB3 ASP 88 - H VAL 66 lone 3 69 - 5 - 3.0/3661=1, 3669=1, 1.8/3665=1 HB2 PHE 46 - H ASP 88 lone 3 100 - 3 - HB2 ASP 43 - H VAL 66 lone 2 67 - 3 - 4.0/1043=1 HB2 ASP 43 - H ASP 88 lone 2 99 - 2 - HB2 PHE 46 - H VAL 66 lone 2 68 - 2 - 6083/1041=1 HB2 ASP 43 - H GLU 22 lone 1 79 - 2 - HB3 ASP 82 - H GLU 22 lone 1 76 - 2 - HB3 ASP 82 - H VAL 66 lone 1 65 - 1 - HB2 PHE 46 - H GLU 22 lone 1 81 - 1 - Peak 932 from nnoeabs.peaks (8.11, 8.11, 123.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 89 + H ALA 89 OK 100 100 - 100 Peak 933 from nnoeabs.peaks (4.25, 8.11, 123.94 ppm; 3.78 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 89 + H ALA 89 OK 100 100 - 100 - 3.0=100 HA LEU 87 - H ALA 89 OK 24 98 - 24 - 415/4.6=9, 3.0/6026=4...(7) HA LEU 30 - H ALA 89 OK 22 65 - 33 - 3.7/1897=5, 3.0/1883=5...(13) HA LEU 85 - H ALA 89 OK 16 99 - 16 - 3.0/6026=4, 3.6/421=3...(5) HA3 GLY 39 - H ALA 89 lone 7 85 - 8 - 3.0/1017=2, ~4136=1...(4) HA LYS 78 - H ALA 89 lone 6 100 - 6 - 415/4.6=1 HA ASP 53 - H ALA 89 lone 5 92 - 5 - HA VAL 52 - H ALA 89 lone 3 85 - 3 - Peak 934 from nnoeabs.peaks (1.35, 8.11, 123.94 ppm; 3.21 A): 1 out of 11 assignments used, quality = 1.00: * QB ALA 89 + H ALA 89 OK 100 100 - 100 - 2.9=100 QB ALA 86 - H ALA 89 OK 14 92 - 16 - 3676=3, 3675/3.0=3...(6) HG2 LYS 68 - H ALA 89 lone 5 96 - 5 - 2.9/6026=1 HG2 LYS 44 - H ALA 89 lone 4 93 - 4 - HG2 LYS 91 - H ALA 89 lone 4 100 - 4 - 427/4.6=1 HG3 LYS 91 - H ALA 89 lone 4 100 - 4 - 427/4.6=1 QB ALA 69 - H ALA 89 lone 4 60 - 6 - 2.9/1057=1, 3.6/1002=1 HB3 LEU 12 - H ALA 89 lone 4 83 - 4 - 1.8/6026=1 QB ALA 67 - H ALA 89 lone 3 92 - 3 - HB2 LYS 64 - H ALA 89 lone 3 99 - 2 - HB3 LYS 56 - H ALA 89 lone 2 78 - 3 - 427/4.6=1 Peak 935 from nnoeabs.peaks (8.38, 8.38, 117.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 90 + H ASN 90 OK 100 100 - 100 Peak 936 from nnoeabs.peaks (4.67, 8.38, 117.47 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 90 + H ASN 90 OK 100 100 - 100 - 3.0=100 HA LYS 56 - H ASN 90 OK 20 99 - 20 - 3692/4.0=4, 3686/4.0=3...(9) HA PHE 57 - H ASN 90 OK 10 89 - 11 - 3692/4.0=2, 3686/4.0=2 Peak 937 from nnoeabs.peaks (2.83, 8.38, 117.47 ppm; 4.91 A): 1 out of 10 assignments used, quality = 1.00: * HB2 ASN 90 + H ASN 90 OK 100 100 - 100 - 4.0=100 HE2 LYS 56 - H ASN 90 OK 25 90 - 28 - 3681/3.0=6, ~3681=4...(11) HE3 LYS 56 - H ASN 90 OK 23 83 - 27 - 3681/3.0=5, ~3681=4...(11) HB3 ASN 24 - H ASN 90 OK 12 71 - 17 - 3.7/77=7, 4.6/1036=3...(5) HB3 PHE 57 - H ASN 90 poor 10 63 - 15 - 3.0/936=3, 3681/3.0=3...(6) HB2 ASN 18 - H ASN 90 poor 7 65 - 10 - 3685=1, 3686/3.0=1, 1.8/3685=1 HB3 ASN 18 - H ASN 90 poor 7 63 - 10 - 3685=1, 3686/3.0=1...(4) HE2 LYS 17 - H ASN 90 lone 3 93 - 4 - HE3 LYS 17 - H ASN 90 lone 3 73 - 3 - HB3 TYR 32 - H ASN 90 lone 2 73 - 3 - Peak 938 from nnoeabs.peaks (2.71, 8.38, 117.47 ppm; 3.96 A): 1 out of 5 assignments used, quality = 0.96: * HB3 ASN 90 + H ASN 90 OK 96 100 - 96 - 4.0=96, 4.6/1018=14 HE3 LYS 44 - H ASN 90 OK 17 100 - 17 - 3682/3.0=5, 431/4.6=2...(7) HE3 LYS 64 - H ASN 90 lone 3 65 - 4 - HE2 LYS 64 - H ASN 90 lone 2 60 - 4 - HB2 ASP 82 - H ASN 90 lone 1 60 - 2 - Peak 940 from nnoeabs.peaks (6.89, 8.38, 117.47 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 90 + H ASN 90 OK 100 100 - 100 - 5.2=100 Peak 941 from nnoeabs.peaks (7.72, 7.72, 126.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 91 + H LYS 91 OK 100 100 - 100 Peak 942 from nnoeabs.peaks (4.10, 7.72, 126.14 ppm; 3.64 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 91 + H LYS 91 OK 100 100 - 100 - 2.9=100 HA LYS 14 - H LYS 91 OK 23 100 - 23 - 3697=7, 3718/4.0=4...(9) HA LYS 26 - H LYS 91 lone 6 100 - 6 - 3718/4.0=1, 3708/4.0=1...(4) HA3 GLY 61 - H LYS 91 lone 2 65 - 3 - HB2 SER 62 - H LYS 91 lone 2 90 - 2 - HB THR 83 - H LYS 91 lone 1 78 - 2 - Peak 943 from nnoeabs.peaks (1.79, 7.72, 126.14 ppm; 4.82 A): 1 out of 17 assignments used, quality = 1.00: * HB2 LYS 91 + H LYS 91 OK 100 100 - 100 - 4.0=100 HB2 LYS 31 - H LYS 91 OK 28 99 - 29 - 1.8/944=4, 3719/4.0=3...(14) HB2 ARG 28 - H LYS 91 OK 19 99 - 19 - 3719/4.0=2, 3699/2.9=2...(9) HG2 GLU 51 - H LYS 91 OK 13 92 - 14 - 3.0/944=3, 3719/4.0=2...(6) HG3 GLU 51 - H LYS 91 OK 13 90 - 14 - 3.0/944=3, 3719/4.0=2...(6) HB2 LYS 44 - H LYS 91 OK 13 78 - 16 - 4.8/431=3, 2265/4.6=3...(4) HB2 ARG 27 - H LYS 91 OK 12 89 - 13 - 1.8/944=2, 4.2/428=2...(5) HB3 ARG 28 - H LYS 91 OK 11 68 - 17 - 3.0/944=2, 3.0/944=2...(7) HD3 LYS 78 - H LYS 91 poor 10 98 - 10 - 3351/4.0=2, 3699/2.9=1 QB ALA 74 - H LYS 91 lone 6 89 - 6 - 5728/3.6=1 HB2 MET 48 - H LYS 91 lone 6 100 - 5 - HB2 LYS 65 - H LYS 91 lone 5 100 - 5 - HG LEU 76 - H LYS 91 lone 4 92 - 4 - HG3 GLU 37 - H LYS 91 lone 3 100 - 3 - HB3 GLU 33 - H LYS 91 lone 2 78 - 3 - HB2 GLU 37 - H LYS 91 lone 2 76 - 3 - QE MET 11 - H LYS 91 lone 2 73 - 3 - Peak 944 from nnoeabs.peaks (1.69, 7.72, 126.14 ppm; 3.96 A): 1 out of 11 assignments used, quality = 0.95: * HB3 LYS 91 + H LYS 91 OK 95 100 - 95 - 4.0=93, 3.0/945=9...(7) HB3 LYS 31 - H LYS 91 OK 16 95 - 17 - 1.8/943=3, 3710/4.0=3...(8) HD3 LYS 31 - H LYS 91 OK 13 93 - 14 - 3.6/943=2, 3700/2.9=2...(6) HD2 LYS 31 - H LYS 91 OK 12 90 - 14 - 3.6/943=2, 3700/2.9=2...(6) HB3 GLU 51 - H LYS 91 OK 12 100 - 12 - 3700/2.9=2, 5088/4.6=1...(7) HG3 ARG 28 - H LYS 91 poor 10 71 - 14 - 3700/2.9=2, 3.0/943=2...(6) HB3 ARG 27 - H LYS 91 lone 9 97 - 9 - 3700/2.9=1, 3710/4.0=1...(4) HG2 ARG 28 - H LYS 91 poor 9 65 - 14 - 3.0/943=2, 3700/2.9=2...(6) HG2 LYS 78 - H LYS 91 lone 6 93 - 7 - 3710/4.0=1, 3700/2.9=1 HB3 LEU 73 - H LYS 91 lone 5 90 - 5 - HB2 LEU 30 - H LYS 91 lone 3 100 - 3 - Peak 945 from nnoeabs.peaks (1.35, 7.72, 126.14 ppm; 4.59 A): 2 out of 11 assignments used, quality = 1.00: * HG2 LYS 91 + H LYS 91 OK 98 100 - 98 - 4.6=97, 3.0/944=19...(7) HG3 LYS 91 + H LYS 91 OK 98 100 - 98 - 4.6=97, 3.0/944=19...(7) QB ALA 89 - H LYS 91 OK 26 100 - 26 - 3.6/1018=23 HG2 LYS 44 - H LYS 91 OK 16 85 - 19 - 2285/4.6=4, 3.5/431=4...(6) HB3 LYS 56 - H LYS 91 OK 12 65 - 18 - 3.0/429=4, 2630/3.6=4...(6) HB2 LYS 64 - H LYS 91 lone 5 97 - 5 - HG2 LYS 68 - H LYS 91 lone 4 89 - 5 - QB ALA 67 - H LYS 91 lone 4 83 - 5 - ~5516=1 QB ALA 86 - H LYS 91 lone 4 97 - 4 - 4137/4.6=1 HB VAL 50 - H LYS 91 lone 2 68 - 4 - HB3 LEU 12 - H LYS 91 lone 2 71 - 3 - Peak 946 from nnoeabs.peaks (1.35, 7.72, 126.14 ppm; 4.59 A): 2 out of 11 assignments used, quality = 1.00: HG2 LYS 91 + H LYS 91 OK 98 100 - 98 - 4.6=97, 3.0/944=19...(7) * HG3 LYS 91 + H LYS 91 OK 98 100 - 98 - 4.6=97, 3.0/944=19...(7) QB ALA 89 - H LYS 91 OK 26 100 - 26 - 3.6/1018=23 HG2 LYS 44 - H LYS 91 OK 16 85 - 19 - 2285/4.6=4, 3.5/431=4...(6) HB3 LYS 56 - H LYS 91 OK 12 65 - 18 - 3.0/429=4, 2630/3.6=4...(6) HB2 LYS 64 - H LYS 91 lone 5 97 - 5 - HG2 LYS 68 - H LYS 91 lone 4 89 - 5 - QB ALA 67 - H LYS 91 lone 4 83 - 5 - ~5516=1 QB ALA 86 - H LYS 91 lone 4 97 - 4 - 4137/4.6=1 HB VAL 50 - H LYS 91 lone 2 68 - 4 - HB3 LEU 12 - H LYS 91 lone 2 71 - 3 - Peak 951 from nnoeabs.peaks (7.86, 8.10, 119.73 ppm; 4.62 A): 1 out of 8 assignments used, quality = 0.99: * H LEU 12 + H MET 11 OK 99 100 - 99 - 4.6=99 H LYS 65 - H MET 11 OK 14 97 - 14 - 3791/3.0=3, 3795/5.0=2...(6) H PHE 80 - H MET 11 OK 13 99 - 13 - 3791/3.0=3, 3794/5.0=2...(5) H LEU 12 - H LEU 30 poor 8 60 - 13 - 6=4, 3.6/1117=3...(4) HD21 ASN 24 - H MET 11 lone 7 93 - 8 - 3791/3.0=2, 1.7/5=1 H PHE 80 - H LEU 30 lone 4 58 - 6 - 385/4.8=2, 6.3/5=1 HD21 ASN 24 - H LEU 30 lone 3 51 - 5 - 4499/4.0=2, 4500/4.8=1 H LYS 65 - H LEU 30 lone 1 55 - 3 - Peak 952 from nnoeabs.peaks (8.44, 7.86, 120.41 ppm; 5.04 A): 1 out of 1 assignment used, quality = 1.00: * H THR 13 + H LEU 12 OK 100 100 - 100 - 4.6=100 Peak 956 from nnoeabs.peaks (7.60, 8.29, 108.56 ppm; 4.23 A): 3 out of 4 assignments used, quality = 0.91: * H LYS 17 + H GLY 16 OK 83 100 - 83 - 4.6=77, 4290/4.5=8...(5) H VAL 20 + H GLY 16 OK 27 100 - 27 - 3820/3.0=7, 3819/3.0=6...(8) HD21 ASN 63 + H GLY 16 OK 27 93 - 29 - 5412=6, 1.7/5413=4...(10) H LYS 44 - H GLY 16 lone 3 68 - 4 - Peak 958 from nnoeabs.peaks (7.12, 7.59, 116.61 ppm; 3.13 A): 2 out of 3 assignments used, quality = 0.77: * H MET 21 + H VAL 20 OK 62 100 - 62 - 4.6=32, 3838/4.0=10...(11) HD22 ASN 18 + H VAL 20 OK 41 100 - 41 - 4.6/4387=8, 3837/3.0=6...(11) HD2 HIS 42 - H VAL 20 lone 1 65 - 2 - Peak 959 from nnoeabs.peaks (8.23, 7.12, 119.06 ppm; 3.20 A): 4 out of 6 assignments used, quality = 0.79: * H GLU 22 + H MET 21 OK 65 100 - 65 - 4.6=34, 4.6/574=9...(15) H ASP 88 + H MET 21 OK 20 89 - 23 - 64=7, 3841/3.0=3...(8) H LYS 56 + H MET 21 OK 14 60 - 24 - 64=5, 4.7/574=3...(13) HE21 GLN 58 + H MET 21 OK 12 87 - 14 - 1019/4.6=2, 3841/3.0=2...(8) H ALA 86 - H MET 21 lone 7 89 - 8 - 3841/3.0=1, 3843/4.0=1 H VAL 66 - H MET 21 lone 3 60 - 4 - Peak 960 from nnoeabs.peaks (8.38, 8.23, 120.42 ppm; 3.43 A): 6 out of 12 assignments used, quality = 0.89: * H LEU 23 + H GLU 22 OK 75 100 - 75 - 4.6=40, 72/3.0=16...(13) H LEU 23 + H ASP 88 OK 23 81 - 29 - 71=9, 3.6/1548=3...(11) H ASN 90 + H GLU 22 OK 16 99 - 16 - 3847/3.0=3, 3848/4.0=2...(9) H GLY 40 + H GLU 22 OK 13 99 - 13 - 3847/3.0=2, 1021/4.6=2...(7) H GLY 39 + H GLU 22 OK 13 99 - 13 - 3847/3.0=2, 3848/4.0=2...(6) H ASN 90 + H ASP 88 OK 11 78 - 15 - 1017/4.6=9, 3.6/3616=2...(4) H LEU 23 - H LYS 56 poor 8 48 - 16 - 71=3, 3.6/1548=1, 4467/4.0=1 H ASN 90 - H LYS 56 lone 5 46 - 10 - 936/3.0=4, 3.0/4445=2, 427/4.0=2 H GLY 39 - H ASP 88 lone 3 77 - 3 - H GLY 40 - H ASP 88 lone 3 77 - 3 - H GLY 39 - H LYS 56 lone 1 45 - 2 - H GLY 40 - H LYS 56 lone 1 45 - 1 - Peak 961 from nnoeabs.peaks (7.74, 8.38, 119.18 ppm; 3.35 A): 2 out of 2 assignments used, quality = 0.76: * H ASN 24 + H LEU 23 OK 73 100 - 73 - 4.6=39, 4162/3.6=10...(15) H LYS 91 + H LEU 23 OK 12 68 - 18 - 3853/3.9=2, 3854/3.9=2...(9) Peak 962 from nnoeabs.peaks (7.36, 7.74, 116.98 ppm; 3.20 A): 2 out of 3 assignments used, quality = 0.80: * H GLU 25 + H ASN 24 OK 72 100 - 72 - 84=43, 4.6/4488=11...(13) H ALA 75 + H ASN 24 OK 27 100 - 27 - 3.6/1033=5, 1030/4.6=3...(10) QE PHE 46 - H ASN 24 poor 9 81 - 11 - 3858/2.9=2, 3859/3.7=1, ~4632=1 Peak 963 from nnoeabs.peaks (7.27, 7.36, 115.27 ppm; 3.08 A): 1 out of 1 assignment used, quality = 0.70: * H LYS 26 + H GLU 25 OK 70 100 - 70 - 90=35, 3862/4.1=12...(13) Peak 964 from nnoeabs.peaks (8.16, 7.27, 116.25 ppm; 2.90 A): 1 out of 2 assignments used, quality = 0.70: * H ARG 27 + H LYS 26 OK 70 100 - 70 - 96=50, 4.3/1688=11...(12) H ALA 71 - H LYS 26 poor 8 57 - 13 - 3.0/91=2, 3866/3.0=2...(6) Peak 965 from nnoeabs.peaks (8.35, 8.16, 120.88 ppm; 3.97 A): 3 out of 6 assignments used, quality = 0.96: * H ARG 28 + H ARG 27 OK 88 100 - 88 - 4.6=63, 107/3.0=24...(15) H ALA 72 + H ARG 27 OK 49 100 - 50 - 3875/3.0=7, 3.6/4555=6...(16) H TYR 70 + H ARG 27 OK 34 90 - 38 - 3.0/4556=8, 3875/3.0=5...(13) H GLY 39 - H ARG 27 poor 7 71 - 10 - 3.6/614=2, 179/3.0=2...(4) H GLY 40 - H ARG 27 lone 3 71 - 4 - H ASN 90 - H ARG 27 lone 3 68 - 4 - Peak 966 from nnoeabs.peaks (8.59, 8.35, 122.42 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.99: * H GLY 29 + H ARG 28 OK 95 100 - 95 - 4.7=81, 3882/3.0=28...(23) H LEU 73 + H ARG 28 OK 71 97 - 73 - 3882/3.0=15, 340=14...(23) Peak 967 from nnoeabs.peaks (8.11, 8.59, 108.95 ppm; 3.59 A): 2 out of 4 assignments used, quality = 0.81: * H LEU 30 + H GLY 29 OK 59 100 - 59 - 4.6=47, 4568/3.6=8...(7) H ALA 71 + H GLY 29 OK 53 89 - 60 - 1067=13, 3.0/5641=10...(13) H MET 11 - H GLY 29 lone 10 98 - 10 - 122=3, 3889/3.0=2...(4) H ALA 89 - H GLY 29 lone 6 100 - 6 - 4568/3.6=1 Peak 968 from nnoeabs.peaks (8.49, 8.11, 119.36 ppm; 4.28 A): 2 out of 4 assignments used, quality = 0.96: * H LYS 31 + H LEU 30 OK 94 100 - 94 - 4.6=79, 126/2.9=29...(10) H THR 38 + H LEU 30 OK 34 93 - 36 - 3893/4.0=8, 3892/4.0=7...(7) H LYS 31 - H MET 11 OK 13 60 - 22 - 125=7, 5.0/1904=3...(6) H THR 38 - H MET 11 lone 3 51 - 6 - 4784/3.0=2 Peak 969 from nnoeabs.peaks (8.68, 8.49, 121.74 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.97: * H TYR 32 + H LYS 31 OK 97 100 - 97 - 4.7=80, 3897/3.0=42...(11) Peak 970 from nnoeabs.peaks (9.44, 8.68, 124.25 ppm; 4.27 A): 2 out of 2 assignments used, quality = 0.97: * H GLU 33 + H TYR 32 OK 95 100 - 95 - 4.6=78, 143/3.0=35...(12) H GLU 49 + H TYR 32 OK 42 97 - 43 - 3906/3.0=10, 3907/4.0=9...(11) Peak 971 from nnoeabs.peaks (8.79, 9.44, 124.37 ppm; 4.44 A): 2 out of 4 assignments used, quality = 0.99: * H LEU 34 + H GLU 33 OK 97 100 - 97 - 4.6=88, 3911/2.9=26...(16) H PHE 57 + H GLU 33 OK 50 99 - 51 - 3911/2.9=8, 3912/4.1=7...(20) H ASN 18 - H GLU 33 OK 32 99 - 32 - 3911/2.9=4, 3912/4.1=4...(9) H GLY 54 - H GLU 33 OK 20 97 - 21 - 5155/4.1=4, 3911/2.9=3...(6) Peak 972 from nnoeabs.peaks (8.98, 8.79, 126.77 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 35 + H LEU 34 OK 100 100 - 100 - 4.6=100 Peak 973 from nnoeabs.peaks (7.56, 8.98, 126.94 ppm; 3.06 A): 3 out of 4 assignments used, quality = 0.86: * H SER 36 + H ILE 35 OK 77 100 - 77 - 161=46, 4753/3.6=13...(14) H LYS 44 + H ILE 35 OK 32 97 - 33 - 3922/3.0=5, 3923/3.9=4...(14) HE22 GLN 55 + H ILE 35 OK 10 71 - 14 - 161=4, 6060/3.6=2...(5) HD21 ASN 63 - H ILE 35 lone 6 78 - 8 - Peak 974 from nnoeabs.peaks (8.32, 7.56, 112.17 ppm; 4.54 A): 1 out of 14 assignments used, quality = 0.99: * H GLU 37 + H SER 36 OK 99 100 - 99 - 4.6=97, 169/2.9=39...(8) H LEU 85 - H SER 36 OK 30 97 - 31 - 397/3.6=7, 3.6/162=5...(8) H ALA 60 - H SER 36 OK 17 99 - 17 - 3928/2.9=3, 3930/4.0=3...(7) H TYR 70 - H SER 36 poor 9 89 - 11 - 3929/4.0=3, 3930/4.0=2 H TYR 70 - HE22 GLN 55 poor 7 30 - 22 - 846/1.7=6, ~3123=5...(6) H LYS 64 - H SER 36 lone 6 65 - 9 - 4.6/5450=2, 3929/4.0=1...(4) H ALA 72 - HE22 GLN 55 poor 4 17 - 23 - ~5697=5, ~5202=5...(7) H GLU 37 - HE22 GLN 55 lone 4 38 - 9 - 168=2, 4.5/2156=1...(4) H GLY 16 - H SER 36 lone 3 63 - 4 - 4.5/4291=1 H ALA 72 - H SER 36 lone 3 57 - 5 - 3.7/4752=1 H ALA 60 - HE22 GLN 55 lone 2 36 - 6 - 4.6/5382=2 H LYS 64 - HE22 GLN 55 lone 2 20 - 8 - 4.6/5450=3, 4.4/2805=1 H LEU 85 - HE22 GLN 55 lone 1 35 - 3 - H GLY 16 - HE22 GLN 55 lone 0 19 - 2 - Peak 975 from nnoeabs.peaks (8.48, 8.32, 125.04 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.94: * H THR 38 + H GLU 37 OK 94 100 - 94 - 4.6=81, 173/2.9=42...(8) H LYS 31 - H GLU 37 OK 23 93 - 25 - 3931/2.9=7, 3932/4.1=5...(6) Peak 976 from nnoeabs.peaks (8.38, 8.48, 116.68 ppm; 4.07 A): 3 out of 6 assignments used, quality = 0.89: * H GLY 39 + H THR 38 OK 84 100 - 84 - 4.6=68, 3936/3.0=24...(4) H GLY 40 + H THR 38 OK 24 100 - 24 - 3937/3.8=8, 3936/3.0=6...(5) H ARG 28 + H THR 38 OK 14 71 - 20 - 3.6/686=3, 5.0/4783=3...(7) H LEU 23 - H THR 38 lone 10 99 - 10 - 3938/4.0=3, 3936/3.0=2...(4) H ALA 72 - H THR 38 lone 4 63 - 7 - 2.9/176=1 H ASN 90 - H THR 38 lone 4 100 - 3 - Peak 977 from nnoeabs.peaks (8.38, 8.38, 107.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: H GLY 39 + H GLY 39 OK 100 100 - 100 Reference assignment not found: H GLY 40 - H GLY 39 Peak 978 from nnoeabs.peaks (7.57, 7.99, 120.13 ppm; 4.16 A): 2 out of 5 assignments used, quality = 0.84: * H LYS 44 + H ASP 43 OK 82 100 - 82 - 4.6=75, 190/3.0=21, 190/3.6=2 HD21 ASN 63 + H ASP 43 OK 13 96 - 13 - 3945/3.0=4, 3946/4.0=3...(4) H VAL 20 - H ASP 43 lone 7 78 - 9 - 4.0/4411=4, 3947/4.0=1 H SER 36 - H ASP 43 lone 6 97 - 6 - 3946/4.0=1, 3945/3.0=1 H LYS 17 - H ASP 43 lone 2 68 - 3 - Peak 979 from nnoeabs.peaks (9.23, 8.63, 119.94 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * H MET 48 + H VAL 47 OK 100 100 - 100 - 4.7=98, 3953/3.0=43...(16) H MET 48 - H GLN 58 OK 35 45 - 77 - 4899/3.0=33, 5337/4.7=29...(11) Peak 980 from nnoeabs.peaks (9.43, 9.23, 125.43 ppm; 4.52 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 49 + H MET 48 OK 99 100 - 99 - 4.6=92, 204/3.0=45...(17) H GLU 33 + H MET 48 OK 66 97 - 68 - 4644/3.0=31, 3959/4.0=11...(15) Peak 981 from nnoeabs.peaks (9.16, 9.43, 121.51 ppm; 4.75 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 50 + H GLU 49 OK 100 100 - 100 - 4.6=100 H ASP 53 - H GLU 49 OK 42 99 - 43 - 3963/3.0=10, 3965/3.7=9...(9) HE ARG 27 - H GLU 49 OK 10 65 - 15 - 5997/4598=2, 3963/3.0=2...(8) Peak 982 from nnoeabs.peaks (8.06, 9.16, 125.16 ppm; 4.77 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 51 + H VAL 50 OK 100 100 - 100 - 4.7=100 H THR 83 - H VAL 50 OK 26 97 - 27 - 3970/4.0=6, 3971/4.0=6...(5) Peak 983 from nnoeabs.peaks (9.38, 8.06, 129.13 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.98: * H VAL 52 + H GLU 51 OK 98 100 - 98 - 4.6=80, 222/3.0=45...(18) Peak 984 from nnoeabs.peaks (9.15, 9.38, 126.81 ppm; 4.65 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 53 + H VAL 52 OK 100 100 - 100 - 4.6=100 H VAL 50 + H VAL 52 OK 68 99 - 69 - 4.7/221=26, 4.0/5114=21...(13) HE ARG 27 - H VAL 52 OK 36 85 - 42 - 6004/4.0=12, 6004/4.0=12...(11) Peak 985 from nnoeabs.peaks (8.78, 9.15, 127.12 ppm; 3.39 A): 4 out of 4 assignments used, quality = 0.89: * H GLY 54 + H ASP 53 OK 76 100 - 76 - 4.6=39, 233/2.9=21...(10) H PHE 57 + H ASP 53 OK 39 90 - 44 - 5237=11, 5238/4.6=9...(14) H ASN 18 + H ASP 53 OK 14 100 - 14 - 5237=2, 5095/3.6=2...(5) H LEU 34 + H ASP 53 OK 12 97 - 13 - 5095/3.6=1, 5092/4.6=1 Peak 986 from nnoeabs.peaks (8.02, 8.78, 103.19 ppm; 3.19 A): 1 out of 1 assignment used, quality = 0.69: * H GLN 55 + H GLY 54 OK 69 100 - 69 - 4.5=35, 3.6/748=22...(17) Peak 987 from nnoeabs.peaks (8.20, 8.02, 121.22 ppm; 3.96 A): 2 out of 5 assignments used, quality = 0.94: * H LYS 56 + H GLN 55 OK 91 100 - 91 - 4.6=63, 240/2.9=29...(15) H LEU 79 + H GLN 55 OK 35 98 - 36 - 3986/2.9=6, 4.6/5184=5...(11) H LEU 87 - H GLN 55 OK 17 97 - 18 - 2.9/5150=3, 3986/2.9=3...(5) HE21 GLN 58 - H GLN 55 OK 12 97 - 12 - 3986/2.9=3, 3987/3.9=2...(5) H GLU 22 - H GLN 55 OK 12 60 - 19 - 239=4, 4.6/754=3...(8) Peak 988 from nnoeabs.peaks (8.80, 8.20, 120.64 ppm; 4.27 A): 3 out of 8 assignments used, quality = 0.98: * H PHE 57 + H LYS 56 OK 94 100 - 94 - 4.6=78, 3991/3.0=22...(22) H LEU 34 + H LYS 56 OK 50 99 - 51 - 3991/3.0=9, 666/4.7=8...(16) H GLY 54 + H LYS 56 OK 46 90 - 50 - 986/4.6=24, 5159/4.7=7...(16) H ASN 18 - H LYS 56 OK 38 93 - 40 - 3991/3.0=5, 3992/4.0=4...(16) H ASN 18 - H GLU 22 poor 8 40 - 20 - 565/4.6=5, 4320/4.6=4...(5) H PHE 57 - H GLU 22 poor 7 48 - 14 - 4.6/2619=1, 247=1...(4) H LEU 34 - H GLU 22 poor 5 46 - 11 - 153/5.0=2, 150/4.0=2, 153/4.6=1 H GLY 54 - H GLU 22 lone 3 38 - 7 - 4.5/239=2, 5159/4.6=2 Peak 989 from nnoeabs.peaks (8.64, 8.80, 121.50 ppm; 4.30 A): 1 out of 4 assignments used, quality = 0.96: * H GLN 58 + H PHE 57 OK 96 100 - 96 - 4.6=79, 4000/2.9=37...(15) H VAL 47 - H PHE 57 OK 31 89 - 35 - 4000/2.9=6, 4648/4.4=5...(12) H GLN 58 - H ASN 18 OK 14 55 - 26 - 257=4, 5268/3.0=4...(6) H VAL 47 - H ASN 18 poor 5 43 - 11 - 4687/4.9=2, 5980/154=1 Peak 990 from nnoeabs.peaks (8.84, 8.64, 119.55 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.98: * H GLY 59 + H GLN 58 OK 98 100 - 98 - 4.7=83, 264/3.0=45...(17) H GLY 59 - H VAL 47 OK 36 45 - 80 - 5337/4.7=27, 5335/3.0=27...(12) Peak 991 from nnoeabs.peaks (8.31, 8.84, 107.36 ppm; 4.49 A): 1 out of 6 assignments used, quality = 0.98: * H ALA 60 + H GLY 59 OK 98 100 - 98 - 4.6=91, 273/3.0=41...(15) H TYR 70 - H GLY 59 OK 31 71 - 44 - 4.6/5621=21, 5592/3.0=13...(7) H LEU 85 - H GLY 59 OK 17 100 - 17 - 4.3/268=4, 4010/3.0=2...(7) H GLY 16 - H GLY 59 OK 14 83 - 16 - 4011/3.0=5, 4010/3.0=4...(4) H GLU 37 - H GLY 59 OK 11 99 - 11 - 4.9/4911=4, 4010/3.0=1...(4) H LYS 64 - H GLY 59 lone 7 85 - 9 - 4.0/5316=2, 4011/3.0=1 Peak 992 from nnoeabs.peaks (8.53, 8.31, 123.52 ppm; 4.29 A): 1 out of 3 assignments used, quality = 0.96: * H GLY 61 + H ALA 60 OK 96 100 - 96 - 4.6=80, 275/3.0=42...(14) H LEU 76 - H ALA 60 OK 14 97 - 14 - 4013/2.9=4, 4012/3.0=4...(5) H ASP 82 - H ALA 60 OK 13 99 - 13 - 4012/3.0=4, 4013/2.9=4...(5) Peak 993 from nnoeabs.peaks (8.89, 8.53, 103.24 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H SER 62 + H GLY 61 OK 100 100 - 100 - 4.6=100 H LYS 14 + H GLY 61 OK 48 96 - 50 - 4014/2.9=15, 4.3/789=14...(8) Peak 994 from nnoeabs.peaks (7.52, 8.89, 114.56 ppm; 4.94 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 63 + H SER 62 OK 100 100 - 100 - 4.6=100 H ALA 69 - H SER 62 OK 34 100 - 34 - 5384/3.6=10, 5386/3.6=7...(8) HE22 GLN 55 - H SER 62 OK 17 92 - 19 - 5384/3.6=5, 5386/3.6=4...(6) Peak 995 from nnoeabs.peaks (8.29, 7.52, 112.61 ppm; 4.13 A): 4 out of 7 assignments used, quality = 0.94: * H LYS 64 + H ASN 63 OK 83 100 - 83 - 4.6=71, 4021/4.0=13...(9) H VAL 66 + H ASN 63 OK 43 60 - 72 - 4.0/5395=22, 4.0/5392=20...(15) H GLY 16 + H ASN 63 OK 26 100 - 26 - 35/3.6=5, 4019/2.9=4...(9) H ALA 60 + H ASN 63 OK 15 85 - 18 - 4.6/5405=9, 3.5/5396=2...(5) H GLU 77 - H ASN 63 lone 6 63 - 10 - 4.6/5405=2 H GLU 37 - H ASN 63 lone 6 65 - 8 - 4.1/5392=3 H LEU 85 - H ASN 63 lone 4 89 - 5 - 4.3/5392=1 Peak 996 from nnoeabs.peaks (7.85, 8.29, 119.85 ppm; 4.35 A): 1 out of 4 assignments used, quality = 0.95: * H LYS 65 + H LYS 64 OK 95 100 - 95 - 4.6=87, 4.9/805=20...(15) H LEU 12 - H LYS 64 OK 39 97 - 41 - 4022/3.0=7, 4023/4.0=7...(12) HD21 ASN 24 - H LYS 64 OK 26 71 - 36 - 5410/4.4=9, 5411/4.4=8...(9) H PHE 80 - H LYS 64 OK 19 87 - 22 - 4022/3.0=4, 5411/4.4=3...(8) Peak 997 from nnoeabs.peaks (8.26, 7.85, 119.36 ppm; 2.88 A): 4 out of 7 assignments used, quality = 0.78: * H VAL 66 + H LYS 65 OK 55 100 - 55 - 4.6=25, 4.7/1040=9...(10) H LYS 64 + H LYS 65 OK 28 60 - 47 - 4.6=25, 4.0/4024=5...(13) H GLU 77 + H LYS 65 OK 20 100 - 20 - 2.9/5790=3, 4031/2.9=2...(9) H ASP 88 + H LYS 65 OK 15 96 - 16 - 300=5, 301/2.9=2...(5) H ALA 86 - H LYS 65 lone 8 96 - 8 - 4031/2.9=1 H GLY 16 - H LYS 65 lone 4 63 - 6 - H GLU 22 - H LYS 65 lone 1 60 - 2 - Peak 998 from nnoeabs.peaks (7.41, 8.26, 120.89 ppm; 3.03 A): 2 out of 2 assignments used, quality = 0.69: * H ALA 67 + H VAL 66 OK 66 100 - 66 - 4.7=28, 4042/4.0=13...(9) H ALA 67 + H ASP 88 OK 11 69 - 16 - 310=5, 3.6/2997=2...(6) Peak 999 from nnoeabs.peaks (7.98, 7.41, 121.32 ppm; 3.50 A): 2 out of 2 assignments used, quality = 0.87: * H LYS 68 + H ALA 67 OK 83 100 - 83 - 315=50, 4045/2.9=22...(13) H ASP 43 + H ALA 67 OK 24 99 - 24 - 4045/2.9=5, 4044/2.9=4...(11) Peak 1000 from nnoeabs.peaks (7.52, 7.98, 115.46 ppm; 3.02 A): 3 out of 3 assignments used, quality = 0.82: * H ALA 69 + H LYS 68 OK 68 100 - 68 - 318=32, 1054/4.6=10...(18) H ASN 63 + H LYS 68 OK 28 100 - 28 - 1047/4.6=4, 4186/3.6=4...(11) HE22 GLN 55 + H LYS 68 OK 24 90 - 26 - 4046/3.0=4, 4047/4.0=4...(8) Peak 1001 from nnoeabs.peaks (8.33, 7.52, 119.82 ppm; 3.27 A): 3 out of 6 assignments used, quality = 0.84: * H TYR 70 + H ALA 69 OK 65 100 - 66 - 4.6=35, 1058/3.6=13...(11) H ALA 72 + H ALA 69 OK 46 95 - 49 - 1071/3.6=13, 1070/3.0=8...(11) H ARG 28 + H ALA 69 OK 13 90 - 14 - 4199/3.0=2, 4056/2.9=2...(7) H GLU 37 - H ALA 69 poor 10 89 - 11 - 4.5/1056=3, 4056/2.9=1 H ALA 60 - H ALA 69 poor 9 71 - 12 - 2.9/321=2, 4.6/5382=1...(4) H LEU 85 - H ALA 69 lone 4 65 - 5 - Peak 1002 from nnoeabs.peaks (8.13, 8.33, 115.27 ppm; 3.11 A): 3 out of 5 assignments used, quality = 0.79: * H ALA 71 + H TYR 70 OK 69 100 - 69 - 4.6=30, 4.4/845=10...(14) H LEU 30 + H TYR 70 OK 22 89 - 25 - 3.6/329=4, 4588/3.0=4...(9) H ARG 27 + H TYR 70 OK 13 57 - 22 - 3.0/3875=3, 4556/3.0=3...(11) H ALA 89 - H TYR 70 lone 7 83 - 8 - 4057/3.0=1 H MET 11 - H TYR 70 lone 5 68 - 7 - 6.2/4252=2 Peak 1003 from nnoeabs.peaks (8.35, 8.13, 126.46 ppm; 2.78 A): 3 out of 7 assignments used, quality = 0.87: * H ALA 72 + H ALA 71 OK 56 100 - 56 - 337=22, 4063/2.9=9...(15) H TYR 70 + H ALA 71 OK 53 95 - 56 - 4.6=21, 4.0/334=7...(13) H ARG 28 + H ALA 71 OK 36 100 - 36 - 3.0/4568=6, 4063/2.9=4...(15) H GLU 37 - H ALA 71 lone 2 57 - 3 - H ASN 90 - H ALA 71 lone 2 60 - 2 - H GLY 39 - H ALA 71 lone 1 63 - 1 - H GLY 40 - H ALA 71 lone 1 63 - 1 - Peak 1004 from nnoeabs.peaks (8.57, 8.35, 118.23 ppm; 3.09 A): 2 out of 2 assignments used, quality = 0.83: * H LEU 73 + H ALA 72 OK 68 100 - 68 - 4.6=31, 4065/2.9=15...(14) H GLY 29 + H ALA 72 OK 48 97 - 50 - 4065/2.9=7, 3.0/1070=6...(15) Peak 1005 from nnoeabs.peaks (7.80, 8.57, 117.62 ppm; 3.32 A): 1 out of 1 assignment used, quality = 0.84: * H ALA 74 + H LEU 73 OK 84 100 - 84 - 4.6=37, 4067/3.9=17...(15) Peak 1006 from nnoeabs.peaks (7.36, 7.80, 121.01 ppm; 3.08 A): 3 out of 3 assignments used, quality = 0.89: * H ALA 75 + H ALA 74 OK 82 100 - 82 - 350=50, 3.4/3206=22...(22) H GLU 25 + H ALA 74 OK 33 100 - 33 - 1038/2.9=6, 4073/2.9=6...(13) QE PHE 46 + H ALA 74 OK 12 89 - 14 - 4073/2.9=2, 1077/4.6=1...(7) Peak 1007 from nnoeabs.peaks (8.54, 7.36, 121.32 ppm; 3.07 A): 3 out of 3 assignments used, quality = 0.77: * H LEU 76 + H ALA 75 OK 67 100 - 67 - 4.6=29, 4075/2.9=15...(18) H ASP 82 + H ALA 75 OK 17 100 - 17 - 4075/2.9=3, 4074/2.9=3...(5) H GLY 61 + H ALA 75 OK 16 97 - 17 - 2.9/5385=3, 4075/2.9=3...(5) Peak 1008 from nnoeabs.peaks (8.26, 8.54, 118.14 ppm; 3.56 A): 5 out of 6 assignments used, quality = 0.90: * H GLU 77 + H LEU 76 OK 77 100 - 77 - 4.6=45, 4.6/3222=9...(18) H VAL 66 + H LEU 76 OK 27 100 - 27 - 4076/3.0=4, 4078/4.0=3...(10) H ASP 88 + H LEU 76 OK 21 95 - 22 - 4076/3.0=3, 4077/4.0=2...(8) H ALA 86 + H LEU 76 OK 16 95 - 17 - 4076/3.0=2, 4077/4.0=2...(9) H LYS 64 + H LEU 76 OK 13 63 - 21 - 4.8/873=3, 4076/3.0=2...(11) H GLY 16 - H LEU 76 lone 4 65 - 6 - Peak 1009 from nnoeabs.peaks (7.20, 8.26, 115.68 ppm; 3.34 A): 3 out of 3 assignments used, quality = 0.85: * H LYS 78 + H GLU 77 OK 69 100 - 69 - 4.6=39, 4.1/3269=9...(11) QD PHE 80 + H GLU 77 OK 39 100 - 39 - 4701/3.6=11, 4714/4.6=6...(10) QE PHE 57 + H GLU 77 OK 25 95 - 26 - 4240/3.6=5, 1092/4.6=3...(10) Peak 1010 from nnoeabs.peaks (8.19, 7.20, 115.52 ppm; 3.19 A): 4 out of 4 assignments used, quality = 0.85: * H LEU 79 + H LYS 78 OK 66 100 - 66 - 4.6=33, 4089/4.0=7...(17) H LYS 56 + H LYS 78 OK 30 98 - 31 - 4.6/5184=3, 3.6/5199=3...(13) H LEU 87 + H LYS 78 OK 30 100 - 30 - 4087/2.9=4, 2.9/881=4...(11) HE21 GLN 58 + H LYS 78 OK 11 83 - 14 - 4089/4.0=2, 4087/2.9=2...(5) Peak 1011 from nnoeabs.peaks (7.86, 8.19, 115.31 ppm; 3.01 A): 4 out of 4 assignments used, quality = 0.81: * H PHE 80 + H LEU 79 OK 66 100 - 67 - 379=32, 382/4.0=12...(16) H LEU 12 + H LEU 79 OK 21 99 - 21 - 4096/2.9=3, 526/4.8=2...(9) H LYS 65 + H LEU 79 OK 16 87 - 19 - 4096/2.9=2, 4097/4.0=2...(8) HD21 ASN 24 + H LEU 79 OK 14 99 - 15 - 4096/2.9=2, 4097/4.0=2...(6) Peak 1012 from nnoeabs.peaks (8.07, 8.54, 120.09 ppm; 3.59 A): 1 out of 3 assignments used, quality = 0.81: * H THR 83 + H ASP 82 OK 81 100 - 81 - 4.5=50, 394/3.0=27...(8) H GLU 51 - H ASP 82 lone 6 97 - 6 - 4109/3.0=2 H MET 11 - H ASP 82 lone 6 63 - 9 - 5915/3.6=2, 518/3.9=2, 5.0/387=2 Peak 1013 from nnoeabs.peaks (8.25, 8.31, 122.42 ppm; 4.00 A): 2 out of 5 assignments used, quality = 0.89: * H ALA 86 + H LEU 85 OK 82 100 - 82 - 4.6=64, 405/2.9=21...(9) H ASP 88 + H LEU 85 OK 42 100 - 42 - 3.6/912=8, 4.2/3585=7...(12) H VAL 66 - H LEU 85 poor 10 96 - 10 - H GLU 77 - H LEU 85 lone 9 95 - 9 - 361/4.7=1 H GLU 22 - H LEU 85 lone 8 89 - 9 - 4.0/399=1 Peak 1014 from nnoeabs.peaks (8.19, 8.25, 124.92 ppm; 4.01 A): 3 out of 4 assignments used, quality = 0.94: * H LEU 87 + H ALA 86 OK 91 100 - 91 - 4.6=65, 412/3.0=36...(14) H LEU 79 + H ALA 86 OK 21 100 - 21 - 370/3.6=3, 4.6/363=3...(7) H LYS 56 + H ALA 86 OK 10 97 - 10 - 4125/3.0=1, 4126/2.9=1 HE21 GLN 58 - H ALA 86 lone 5 78 - 6 - Peak 1015 from nnoeabs.peaks (8.25, 8.19, 121.50 ppm; 2.56 A): 2 out of 5 assignments used, quality = 0.68: H ALA 86 + H LEU 87 OK 51 100 - 51 - 4.6=17, 3.0/412=16...(11) * H ASP 88 + H LEU 87 OK 35 100 - 35 - 4.6=17, 415/2.9=7...(9) H GLU 77 - H LEU 87 lone 7 95 - 7 - 4.6/1010=2, 3.6/6158=1 H VAL 66 - H LEU 87 lone 4 96 - 4 - H GLU 22 - H LEU 87 lone 3 89 - 3 - Peak 1016 from nnoeabs.peaks (8.11, 8.25, 120.58 ppm; 6.20 A): 1 out of 12 assignments used, quality = 1.00: * H ALA 89 + H ASP 88 OK 100 100 - 100 - 4.6=100 H LEU 30 - H ASP 88 OK 39 100 - 39 - 633/3.6=8, 636/4.2=7...(11) H ALA 89 - H GLU 22 OK 17 81 - 21 - 421=4, 1017/4.6=3...(6) H ALA 71 - H ASP 88 OK 12 83 - 15 - 4135/3.6=2, 3.6/4446=2...(5) H MET 11 - H ASP 88 OK 10 99 - 10 - 4135/3.6=1, 4134/3.6=1 H ALA 89 - H VAL 66 OK 10 69 - 14 - 421=3, 3.6/3661=3...(4) H ALA 71 - H GLU 22 poor 9 60 - 14 - 1063/3.0=3, 5647/4.0=2...(4) H LEU 30 - H GLU 22 poor 8 80 - 10 - 124/3.0=2 H MET 11 - H VAL 66 poor 7 67 - 11 - 951/4.6=4, 4.6/300=3, 6.2/302=1 H LEU 30 - H VAL 66 lone 4 68 - 6 - H ALA 71 - H VAL 66 lone 4 50 - 9 - H MET 11 - H GLU 22 lone 4 79 - 5 - Peak 1017 from nnoeabs.peaks (8.38, 8.11, 123.94 ppm; 4.53 A): 1 out of 6 assignments used, quality = 0.95: * H ASN 90 + H ALA 89 OK 95 100 - 95 - 4.6=95, 960/4.6=2 H LEU 23 - H ALA 89 OK 12 99 - 12 - 71/4.6=5, 4.6/421=2...(4) H GLY 39 - H ALA 89 OK 11 100 - 11 - 4136/3.0=3, 4137/2.9=2 H GLY 40 - H ALA 89 lone 7 100 - 7 - 4136/3.0=2, 3.5/933=1 H ALA 72 - H ALA 89 poor 6 60 - 10 - 3.6/3149=1, 3.7/3152=1...(4) H ARG 28 - H ALA 89 lone 6 68 - 8 - 3.0/4568=2, 4.7/967=1 Peak 1018 from nnoeabs.peaks (7.72, 8.38, 117.47 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.97: * H LYS 91 + H ASN 90 OK 97 100 - 97 - 4.6=95, 4.6/938=21...(6) H ASN 24 - H ASN 90 OK 24 68 - 35 - 77=6, 4.6/1592=4...(11) Peak 1019 from nnoeabs.peaks (8.23, 7.59, 116.61 ppm; 4.43 A): 4 out of 6 assignments used, quality = 0.89: * H GLU 22 + H VAL 20 OK 76 100 - 76 - 4.6/958=18, 1023=17...(19) HE21 GLN 58 + H VAL 20 OK 26 87 - 29 - 4142/3.5=5, 4148/3.0=4...(11) H ASP 88 + H VAL 20 OK 21 89 - 24 - 959/4.6=5, 1023=5...(6) H LYS 56 + H VAL 20 OK 18 60 - 31 - 4.0/4384=4, 4.0/4383=4...(9) H ALA 86 - H VAL 20 lone 9 89 - 10 - 959/4.6=2, 4142/3.5=2 H VAL 66 - H VAL 20 lone 5 60 - 8 - 4142/3.5=2 Peak 1020 from nnoeabs.peaks (3.99, 7.12, 119.06 ppm; 5.35 A): 6 out of 7 assignments used, quality = 0.93: * HA PRO 19 + H MET 21 OK 70 100 - 70 - 3.5/958=28, 4141=19...(12) HA GLU 25 + H MET 21 OK 40 92 - 43 - ~4161=11, ~1038=11...(10) HA3 GLY 16 + H MET 21 OK 31 92 - 34 - 3.6/59=10, 3820/4.6=8...(6) HA LEU 79 + H MET 21 OK 23 85 - 27 - 3382/4.3=5, 3382/4.3=5...(8) HA ALA 72 + H MET 21 OK 16 68 - 24 - 5683/3.5=12, 52/4.6=5...(4) HA ALA 71 + H MET 21 OK 11 81 - 13 - 5629=5, 52/4.6=2...(4) HB3 SER 62 - H MET 21 lone 8 100 - 8 - 1024/4.6=1, 1.8/572=1 Peak 1021 from nnoeabs.peaks (8.38, 7.12, 119.06 ppm; 4.95 A): 4 out of 4 assignments used, quality = 0.90: * H LEU 23 + H MET 21 OK 83 100 - 83 - 1027=35, 4149/3.5=25...(14) H GLY 40 + H MET 21 OK 22 99 - 23 - 4791/4.6=7, 4149/3.5=5...(6) H ASN 90 + H MET 21 OK 14 99 - 14 - 4155/3.0=4, 4149/3.5=3 H GLY 39 + H MET 21 OK 11 99 - 11 - 4155/3.0=3, 960/4.6=3 Peak 1022 from nnoeabs.peaks (3.38, 8.23, 120.42 ppm; 5.65 A): 3 out of 6 assignments used, quality = 0.95: * HA VAL 20 + H GLU 22 OK 87 100 - 87 - 3.5/959=26, 4149/4.6=25...(15) HD2 PRO 81 + H GLU 22 OK 47 100 - 47 - 1028/4.6=11, 60/4.6=10...(16) HA VAL 20 + H ASP 88 OK 28 81 - 35 - 3.5/959=8, 4148=8...(8) HA VAL 20 - H LYS 56 OK 18 48 - 38 - 4148=6, 3.5/959=6...(12) HD2 PRO 81 - H LYS 56 OK 12 47 - 26 - 3449/3.6=6, 5912=4...(7) HD2 PRO 81 - H ASP 88 OK 12 81 - 15 - 3.6/4446=2, 5912/4.6=2...(5) Peak 1023 from nnoeabs.peaks (7.59, 8.23, 120.42 ppm; 4.52 A): 6 out of 12 assignments used, quality = 0.94: * H VAL 20 + H GLU 22 OK 80 100 - 80 - 1019=25, 958/4.6=18...(19) H LYS 17 + H GLU 22 OK 32 100 - 33 - 59/4.6=7, 4428/3.6=5...(9) H VAL 20 + H ASP 88 OK 21 81 - 27 - 1019=7, 4.6/959=5...(7) H LYS 44 + H GLU 22 OK 21 78 - 26 - 4794/3.6=12, 59/4.6=3...(6) HD21 ASN 63 + H GLU 22 OK 19 97 - 19 - 4428/3.6=4, 59/4.6=4...(5) H VAL 20 + H LYS 56 OK 16 48 - 33 - 1019=6, 4384/4.0=4...(9) H LYS 17 - H LYS 56 poor 8 47 - 18 - 555/4.7=5, 556/4.0=3...(6) H LYS 17 - H ASP 88 lone 7 80 - 8 - 4.0/4314=1, 4.0/4314=1 H LYS 44 - H LYS 56 poor 5 31 - 16 - 703/4.0=3, 706/4.7=3...(4) H LYS 44 - H ASP 88 lone 4 56 - 8 - HD21 ASN 63 - H ASP 88 lone 4 75 - 6 - 5399/3007=1 HD21 ASN 63 - H LYS 56 lone 3 44 - 6 - 5399/4.7=2 Peak 1024 from nnoeabs.peaks (3.99, 8.23, 120.42 ppm; 3.73 A): 6 out of 21 assignments used, quality = 0.84: * HA PRO 19 + H GLU 22 OK 52 100 - 52 - 4142=16, 3.5/1019=10...(12) HA GLU 25 + H GLU 22 OK 46 92 - 50 - 3.0/583=7, 4144/4.0=7...(16) HA ALA 72 + H GLU 22 OK 13 68 - 19 - ~4201=3, ~6122=2...(9) HA LEU 79 + H GLU 22 OK 13 85 - 15 - 1029/4.6=3, 4144/4.0=2...(6) HA3 GLY 16 + H GLU 22 OK 11 92 - 12 - 3.6/1023=3, 1020/4.6=2...(4) HA PRO 19 + H ASP 88 OK 10 81 - 13 - 4142=4, 3.5/1019=3 HA ALA 71 - H GLU 22 poor 9 81 - 11 - 4144/4.0=1, 4456/5.0=1...(5) HB3 SER 62 - H GLU 22 lone 8 100 - 7 - 4144/4.0=1 HA PRO 19 - H LYS 56 poor 7 48 - 15 - 4364/4.7=3, 4142=3...(4) HA LEU 79 - H LYS 56 poor 7 35 - 20 - 3377=3, 2.9/3384=2...(10) HA LEU 79 - H ASP 88 lone 5 62 - 8 - 2.9/414=2, 3377/4.6=2 HA GLU 25 - H ASP 88 lone 4 69 - 6 - HA ALA 71 - H ASP 88 lone 3 58 - 5 - HA ALA 72 - H ASP 88 lone 3 48 - 6 - HA3 GLY 16 - H ASP 88 lone 3 69 - 4 - HA ALA 71 - H LYS 56 lone 3 32 - 8 - 5650/3.6=1, 5628/2735=1 HA3 GLY 16 - H LYS 56 lone 1 39 - 4 - HB3 SER 62 - H ASP 88 lone 1 81 - 1 - HA ALA 72 - H LYS 56 lone 1 26 - 4 - HA GLU 25 - H LYS 56 lone 1 39 - 3 - HB3 SER 62 - H LYS 56 lone 1 47 - 1 - Peak 1025 from nnoeabs.peaks (7.74, 8.23, 120.42 ppm; 5.06 A): 4 out of 6 assignments used, quality = 0.90: * H ASN 24 + H GLU 22 OK 82 100 - 83 - 4156/3.6=35, 961/4.6=30...(9) H ASN 24 + H ASP 88 OK 28 81 - 35 - 1032=9, 4.6/71=6...(10) H LYS 91 + H GLU 22 OK 13 68 - 19 - 961/4.6=5, 4162/3.0=4...(5) H ASN 24 + H LYS 56 OK 10 48 - 22 - 1032=4, 4.6/71=2...(9) H LYS 91 - H LYS 56 poor 3 26 - 12 - 429/3.0=3, 3.6/4445=3 H LYS 91 - H ASP 88 lone 3 48 - 6 - 4.6/960=2 Peak 1026 from nnoeabs.peaks (4.14, 8.38, 119.18 ppm; 5.34 A): 3 out of 4 assignments used, quality = 0.95: * HA MET 21 + H LEU 23 OK 86 100 - 86 - 4156/4.6=32, 3.0/1027=28...(16) HA ALA 74 + H LEU 23 OK 58 100 - 58 - 3.6/1030=13, 1033/4.6=11...(14) HB THR 83 + H LEU 23 OK 12 83 - 14 - 4448/3.6=5, 65/4.6=3...(4) HB2 SER 62 - H LEU 23 lone 6 68 - 8 - 1.8/1029=2, 4448/3.6=2 Peak 1027 from nnoeabs.peaks (7.12, 8.38, 119.18 ppm; 4.69 A): 2 out of 3 assignments used, quality = 0.85: * H MET 21 + H LEU 23 OK 78 100 - 78 - 1021=27, 3.5/4149=23...(14) HD22 ASN 18 + H LEU 23 OK 31 100 - 31 - 64/4.6=7, 3837/4149=3...(11) HD2 HIS 42 - H LEU 23 lone 1 65 - 2 - Peak 1028 from nnoeabs.peaks (3.38, 8.38, 119.18 ppm; 4.25 A): 2 out of 2 assignments used, quality = 0.90: * HA VAL 20 + H LEU 23 OK 85 100 - 85 - 4149=35, 3.5/1027=17...(19) HD2 PRO 81 + H LEU 23 OK 38 100 - 38 - 4153/3.9=6, 1034/4.6=5...(14) Peak 1029 from nnoeabs.peaks (3.99, 8.38, 119.18 ppm; 3.64 A): 5 out of 7 assignments used, quality = 0.84: * HA PRO 19 + H LEU 23 OK 45 100 - 45 - 4147=12, 3.5/4486=7...(12) HA GLU 25 + H LEU 23 OK 43 92 - 47 - 3.0/1036=14, 3.0/76=7...(12) HA LEU 79 + H LEU 23 OK 30 85 - 35 - 2.9/587=7, 4.3/4467=4...(10) HA ALA 72 + H LEU 23 OK 20 68 - 30 - 2.1/4467=6, 5768/4.8=3...(15) HA3 GLY 16 + H LEU 23 OK 10 92 - 11 - 3.6/4486=3 HA ALA 71 - H LEU 23 lone 8 81 - 10 - 4456/5.0=1, 4144/4.6=1...(4) HB3 SER 62 - H LEU 23 lone 6 100 - 6 - Peak 1030 from nnoeabs.peaks (7.36, 8.38, 119.18 ppm; 4.89 A): 2 out of 3 assignments used, quality = 0.94: * H GLU 25 + H LEU 23 OK 87 100 - 87 - 1036=35, 84/4.6=32...(16) H ALA 75 + H LEU 23 OK 53 100 - 54 - 4163/3.6=14, 3.6/1026=10...(12) QE PHE 46 - H LEU 23 poor 9 81 - 11 - 962/4.6=3, 4168/3.0=2 Peak 1031 from nnoeabs.peaks (3.89, 7.74, 116.98 ppm; 4.22 A): 3 out of 5 assignments used, quality = 0.80: * HA GLU 22 + H ASN 24 OK 69 100 - 69 - 3.6/961=29, 4162=23...(12) HA LEU 73 + H ASN 24 OK 22 76 - 29 - 3.9/83=5, 1037/4.6=4...(10) HA GLU 77 + H ASN 24 OK 19 85 - 23 - 1037/4.6=7, 3.7/4491=5...(6) HA ALA 69 - H ASN 24 poor 9 81 - 11 - 5575/4414=3, 4390/4154=3...(4) HA3 GLY 29 - H ASN 24 lone 3 85 - 4 - Peak 1032 from nnoeabs.peaks (8.23, 7.74, 116.98 ppm; 4.67 A): 5 out of 6 assignments used, quality = 0.89: * H GLU 22 + H ASN 24 OK 77 100 - 78 - 3.6/4156=31, 4.6/961=26...(9) H ASP 88 + H ASN 24 OK 28 89 - 32 - 1025=8, 71/4.6=5...(10) H ALA 86 + H ASN 24 OK 13 89 - 15 - 71/4.6=2, 4.3/4490=2...(4) H LYS 56 + H ASN 24 OK 12 60 - 19 - 1025=3, 71/4.6=2...(8) HE21 GLN 58 + H ASN 24 OK 11 87 - 13 - 71/4.6=3, 4416/4414=1...(5) H VAL 66 - H ASN 24 poor 7 60 - 12 - 71/4.6=1, 4081/5785=1, 305/4.6=1 Peak 1033 from nnoeabs.peaks (4.14, 7.74, 116.98 ppm; 3.80 A): 2 out of 4 assignments used, quality = 0.84: * HA MET 21 + H ASN 24 OK 75 100 - 76 - 4156=39, 4157/3.7=19...(11) HA ALA 74 + H ASN 24 OK 35 100 - 35 - 3.6/962=7, 1038/4.6=7...(9) HB THR 83 - H ASN 24 lone 5 83 - 5 - HB2 SER 62 - H ASN 24 lone 3 68 - 4 - Peak 1034 from nnoeabs.peaks (3.38, 7.74, 116.98 ppm; 4.96 A): 2 out of 2 assignments used, quality = 0.90: * HA VAL 20 + H ASN 24 OK 85 100 - 85 - 4154=39, 3.2/4414=33...(12) HD2 PRO 81 + H ASN 24 OK 34 100 - 34 - 1028/4.6=9, 4153/4.6=8...(7) Peak 1035 from nnoeabs.peaks (3.93, 7.36, 115.27 ppm; 3.63 A): 4 out of 4 assignments used, quality = 0.86: * HA LEU 23 + H GLU 25 OK 60 100 - 60 - 3.6/84=24, 3.0/1036=14...(9) HA LEU 76 + H GLU 25 OK 39 98 - 40 - 3.0/353=9, 3.6/1094=6...(12) HA LEU 73 + H GLU 25 OK 30 85 - 35 - 3.6/1006=7, 3.0/1077=6...(11) HA ALA 72 + H GLU 25 OK 19 57 - 33 - 4216=7, 2.9/5686=6...(11) Peak 1036 from nnoeabs.peaks (8.38, 7.36, 115.27 ppm; 4.67 A): 3 out of 4 assignments used, quality = 0.87: * H LEU 23 + H GLU 25 OK 83 100 - 83 - 4.6/84=29, 1030=25...(16) H ASN 90 + H GLU 25 OK 15 99 - 15 - 77/4.6=5, 4.6/84=2...(4) H GLY 39 + H GLU 25 OK 12 99 - 12 - 77/4.6=4, 179/3.6=2 H GLY 40 - H GLU 25 lone 8 99 - 8 - 77/4.6=3 Peak 1037 from nnoeabs.peaks (3.89, 7.36, 115.27 ppm; 3.78 A): 3 out of 5 assignments used, quality = 0.84: * HA GLU 22 + H GLU 25 OK 61 100 - 61 - 4163=20, 3.6/1036=13...(13) HA GLU 77 + H GLU 25 OK 44 85 - 52 - 3.7/602=10, 3.7/601=9...(13) HA LEU 73 + H GLU 25 OK 26 76 - 34 - 3.6/1006=8, 3.0/1077=7...(13) HA ALA 69 - H GLU 25 lone 6 81 - 8 - 1031/4.6=1, 4202/1077=1 HA3 GLY 29 - H GLU 25 lone 4 85 - 5 - Peak 1038 from nnoeabs.peaks (4.14, 7.36, 115.27 ppm; 4.60 A): 2 out of 4 assignments used, quality = 0.90: HA ALA 74 + H GLU 25 OK 70 100 - 70 - 4072=19, 2.1/4073=13...(21) * HA MET 21 + H GLU 25 OK 69 100 - 69 - 4156/4.6=24, 4157/4.6=21...(15) HB THR 83 - H GLU 25 lone 8 83 - 10 - 2.1/4502=1, 1033/4.6=1 HB2 SER 62 - H GLU 25 lone 6 68 - 8 - 4158/4.6=1, 1.8/598=1 Peak 1040 from nnoeabs.peaks (7.41, 7.85, 119.36 ppm; 4.24 A): 1 out of 1 assignment used, quality = 0.82: * H ALA 67 + H LYS 65 OK 82 100 - 82 - 4170/3.6=29, 1045=27...(12) Peak 1041 from nnoeabs.peaks (3.28, 8.26, 120.89 ppm; 5.11 A): 2 out of 2 assignments used, quality = 0.81: * HA LYS 64 + H VAL 66 OK 77 100 - 78 - 4170/4.7=32, 3.6/300=25...(14) HA LYS 64 + H ASP 88 OK 15 69 - 22 - 3.6/997=5, 4169=5...(4) Peak 1042 from nnoeabs.peaks (8.29, 8.26, 120.89 ppm; diagonal): 1 out of 1 assignment used, quality = 0.60: H VAL 66 + H VAL 66 OK 60 60 - 100 Reference assignment not found: H LYS 64 - H VAL 66 Peak 1043 from nnoeabs.peaks (7.98, 8.26, 120.89 ppm; 4.56 A): 3 out of 4 assignments used, quality = 0.88: * H LYS 68 + H VAL 66 OK 80 100 - 80 - 315/4.7=30, 4175/3.6=25...(11) H ASP 43 + H VAL 66 OK 25 99 - 25 - 4175/3.6=7, 4181/3.0=7...(5) H LYS 68 + H ASP 88 OK 22 69 - 31 - 5959/4.8=9, 1049=8...(8) H ASP 43 - H ASP 88 lone 5 67 - 7 - 5959/4.8=2, 697/3.6=1 Peak 1044 from nnoeabs.peaks (3.74, 7.41, 121.32 ppm; 5.00 A): 3 out of 4 assignments used, quality = 0.94: * HA LYS 65 + H ALA 67 OK 91 100 - 91 - 4174=50, 2.9/1040=40...(12) HB2 SER 36 + H ALA 67 OK 24 89 - 27 - 1050/4.6=7, 4756/4.5=4...(8) HA2 GLY 39 + H ALA 67 OK 12 87 - 13 - 1050/4.6=5, 4177/5520=2...(4) HA2 GLY 40 - H ALA 67 lone 3 57 - 5 - 1050/4.6=2 Peak 1045 from nnoeabs.peaks (7.85, 7.41, 121.32 ppm; 4.50 A): 3 out of 4 assignments used, quality = 0.94: * H LYS 65 + H ALA 67 OK 90 100 - 90 - 1040=50, 3.6/4170=33...(12) H LEU 12 + H ALA 67 OK 25 97 - 26 - 300/4.7=4, 5467/4.3=4...(10) H PHE 80 + H ALA 67 OK 16 87 - 19 - ~5503=4, ~5497=4...(7) HD21 ASN 24 - H ALA 67 lone 6 71 - 8 - 5467/4.3=2, 300/4.7=1 Peak 1046 from nnoeabs.peaks (3.28, 7.41, 121.32 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.90: * HA LYS 64 + H ALA 67 OK 90 100 - 90 - 4170=50, 4172/2.9=37...(15) Peak 1047 from nnoeabs.peaks (7.52, 7.41, 121.32 ppm; 4.00 A): 2 out of 3 assignments used, quality = 0.97: * H ALA 69 + H ALA 67 OK 89 100 - 89 - 1054=50, 4.6/315=24...(19) H ASN 63 + H ALA 67 OK 68 100 - 69 - 5395/4.3=19, 5392/4.5=16...(17) HE22 GLN 55 - H ALA 67 OK 28 90 - 31 - 1000/4.6=5, 4182/3.6=4...(11) Peak 1048 from nnoeabs.peaks (3.61, 7.98, 115.46 ppm; 4.92 A): 2 out of 3 assignments used, quality = 0.90: * HA VAL 66 + H LYS 68 OK 88 100 - 88 - 3.6/315=43, 4181=33...(12) HD3 ARG 27 + H LYS 68 OK 14 73 - 19 - 1055/4.6=4, 311/4.6=3...(6) HA2 GLY 54 - H LYS 68 lone 5 63 - 7 - 311/4.6=2, 1055/4.6=2 Peak 1049 from nnoeabs.peaks (8.26, 7.98, 115.46 ppm; 4.34 A): 5 out of 7 assignments used, quality = 0.92: * H VAL 66 + H LYS 68 OK 78 100 - 78 - 4.7/315=28, 1043=26...(12) H LYS 64 + H LYS 68 OK 29 60 - 49 - 3.0/1051=32, 4.6/1000=7...(9) H ASP 88 + H LYS 68 OK 29 96 - 30 - 4.8/5959=8, 1043=7...(9) H GLU 77 + H LYS 68 OK 16 100 - 16 - 310/4.6=2, 5.0/837=2...(6) H ALA 86 + H LYS 68 OK 12 96 - 12 - 4.6/1052=2, 4.3/831=2...(5) H GLU 22 - H LYS 68 lone 5 60 - 8 - 4.0/5534=2 H GLY 16 - H LYS 68 lone 3 63 - 5 - Peak 1050 from nnoeabs.peaks (3.74, 7.98, 115.46 ppm; 3.83 A): 3 out of 4 assignments used, quality = 0.86: * HA LYS 65 + H LYS 68 OK 76 100 - 76 - 4175=30, 4174/4.6=14...(18) HB2 SER 36 + H LYS 68 OK 28 89 - 31 - 4177/4.0=5, 4179/4.0=5...(13) HA2 GLY 39 + H LYS 68 OK 22 87 - 25 - 3.5/4790=8, 4177/4.0=4...(10) HA2 GLY 40 - H LYS 68 poor 6 57 - 11 - 3.0/4790=8 Peak 1051 from nnoeabs.peaks (3.28, 7.98, 115.46 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.81: * HA LYS 64 + H LYS 68 OK 81 100 - 81 - 4172/3.7=33, 4173=31...(16) Peak 1052 from nnoeabs.peaks (8.33, 7.98, 115.46 ppm; 4.34 A): 6 out of 6 assignments used, quality = 0.94: * H TYR 70 + H LYS 68 OK 75 100 - 75 - 1058/3.0=28, 1059=24...(11) H ALA 72 + H LYS 68 OK 49 95 - 52 - 1071/3.0=27, 3.7/5632=16...(7) H ALA 60 + H LYS 68 OK 16 71 - 22 - 5353/3.6=12, 2.9/832=3...(6) H ARG 28 + H LYS 68 OK 15 90 - 17 - 4197/3.0=4, 1001/4.6=2...(7) H GLU 37 + H LYS 68 OK 15 89 - 17 - 4.5/1050=5, 4.1/5534=2...(7) H LEU 85 + H LYS 68 OK 14 65 - 22 - 4.7/5959=8, 4.0/831=2...(8) Peak 1053 from nnoeabs.peaks (3.80, 7.52, 119.82 ppm; 4.00 A): 3 out of 3 assignments used, quality = 0.91: * HA ALA 67 + H ALA 69 OK 74 100 - 74 - 2.9/1054=30, 3.6/318=24...(12) HD3 PRO 19 + H ALA 69 OK 59 98 - 60 - 6188/2.9=11, ~4369=7...(19) HD2 PRO 84 + H ALA 69 OK 16 92 - 17 - 1060/4.6=3, 316/4.6=3...(8) Peak 1054 from nnoeabs.peaks (7.41, 7.52, 119.82 ppm; 3.97 A): 1 out of 1 assignment used, quality = 0.83: * H ALA 67 + H ALA 69 OK 83 100 - 83 - 1047=24, 315/4.6=23...(19) Peak 1055 from nnoeabs.peaks (3.61, 7.52, 119.82 ppm; 3.63 A): 2 out of 3 assignments used, quality = 0.81: * HA VAL 66 + H ALA 69 OK 79 100 - 79 - 4184/2.9=26, 4182=23...(15) HD3 ARG 27 + H ALA 69 OK 12 73 - 16 - 1061/4.6=4, 4184/2.9=3...(4) HA2 GLY 54 - H ALA 69 poor 7 63 - 10 - 1.8/5386=3, 3.6/757=2...(4) Peak 1056 from nnoeabs.peaks (3.74, 7.52, 119.82 ppm; 4.47 A): 3 out of 4 assignments used, quality = 0.81: * HA LYS 65 + H ALA 69 OK 71 100 - 71 - 4180=24, 4175/4.6=19...(14) HB2 SER 36 + H ALA 69 OK 25 89 - 28 - 4177/4.3=7, 4179/4.3=6...(7) HA2 GLY 39 + H ALA 69 OK 14 87 - 16 - 4177/4.3=5, 4179/4.3=4...(4) HA2 GLY 40 - H ALA 69 lone 3 57 - 4 - 1050/4.6=1 Peak 1057 from nnoeabs.peaks (8.13, 7.52, 119.82 ppm; 4.51 A): 4 out of 5 assignments used, quality = 0.89: * H ALA 71 + H ALA 69 OK 80 100 - 81 - 1065/3.6=34, 1064=25...(13) H LEU 30 + H ALA 69 OK 24 89 - 28 - 1002/4.6=6, 124/3.0=5...(7) H ARG 27 + H ALA 69 OK 13 57 - 24 - 1002/4.6=3, 4.3/321=3...(9) H ALA 89 + H ALA 69 OK 12 83 - 14 - 5572/2.9=3, 4194/3.6=2...(5) H MET 11 - H ALA 69 lone 5 68 - 8 - 5572/2.9=2, 4194/3.6=1...(4) Peak 1058 from nnoeabs.peaks (3.54, 8.33, 115.27 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.81: * HA LYS 68 + H TYR 70 OK 81 100 - 81 - 1065/4.6=29, 3.6/328=27...(13) Peak 1059 from nnoeabs.peaks (7.98, 8.33, 115.27 ppm; 5.09 A): 2 out of 2 assignments used, quality = 0.86: * H LYS 68 + H TYR 70 OK 82 100 - 82 - 3.0/1058=37, 318/4.6=28...(12) H ASP 43 + H TYR 70 OK 22 99 - 22 - 318/4.6=9, 3023/1058=5...(4) Peak 1060 from nnoeabs.peaks (3.80, 8.33, 115.27 ppm; 3.61 A): 3 out of 3 assignments used, quality = 0.85: * HA ALA 67 + H TYR 70 OK 73 100 - 73 - 4187=22, 4190/4.0=15...(12) HD3 PRO 19 + H TYR 70 OK 34 98 - 35 - 6188/3.6=8, 1053/4.6=6...(8) HD2 PRO 84 + H TYR 70 OK 20 92 - 21 - 4189/4.0=3, 4191/4.0=3...(7) Peak 1061 from nnoeabs.peaks (3.61, 8.33, 115.27 ppm; 4.55 A): 2 out of 3 assignments used, quality = 0.84: * HA VAL 66 + H TYR 70 OK 76 100 - 76 - 4184/3.6=32, 4185=24...(9) HD3 ARG 27 + H TYR 70 OK 33 73 - 46 - 1.8/3880=6, 3881=6...(15) HA2 GLY 54 - H TYR 70 poor 9 63 - 15 - 1.8/5592=9, 1055/4.6=2 Peak 1063 from nnoeabs.peaks (3.87, 8.13, 126.46 ppm; 4.47 A): 4 out of 4 assignments used, quality = 0.93: * HA ALA 69 + H ALA 71 OK 69 100 - 69 - 3.6/1002=23, 3.0/1057=19...(12) HA3 GLY 29 + H ALA 71 OK 68 100 - 68 - 3.0/1067=17, 3890=14...(14) HA GLU 77 + H ALA 71 OK 22 100 - 21 - 6049/3.6=6, 1070/4.6=4...(7) HA GLU 22 + H ALA 71 OK 14 81 - 17 - 1070/4.6=3, 3.0/5647=2...(5) Peak 1064 from nnoeabs.peaks (7.52, 8.13, 126.46 ppm; 4.73 A): 3 out of 3 assignments used, quality = 0.92: * H ALA 69 + H ALA 71 OK 84 100 - 84 - 3.6/1065=36, 1057=30...(13) HE22 GLN 55 + H ALA 71 OK 30 90 - 34 - 5634/2.9=7, ~5637=6...(10) H ASN 63 + H ALA 71 OK 29 100 - 29 - 328/4.6=6, 5634/2.9=5...(7) Peak 1065 from nnoeabs.peaks (3.54, 8.13, 126.46 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.77: * HA LYS 68 + H ALA 71 OK 77 100 - 77 - 4196/2.9=32, 4194=24...(11) Peak 1066 from nnoeabs.peaks (3.80, 8.13, 126.46 ppm; 4.35 A): 3 out of 3 assignments used, quality = 0.87: * HA ALA 67 + H ALA 71 OK 72 100 - 72 - 4192=28, 4190/4.4=20...(10) HD3 PRO 19 + H ALA 71 OK 42 98 - 43 - 1060/4.6=7, 4691/4.5=6...(16) HD2 PRO 84 + H ALA 71 OK 20 92 - 22 - 4691/4.5=4, 4191/4.4=4...(5) Peak 1067 from nnoeabs.peaks (8.57, 8.13, 126.46 ppm; 4.16 A): 2 out of 2 assignments used, quality = 0.92: * H LEU 73 + H ALA 71 OK 73 100 - 73 - 1074=20, 1004/4.6=15...(15) H GLY 29 + H ALA 71 OK 69 97 - 72 - 967=18, 3.6/4568=13...(15) Peak 1068 from nnoeabs.peaks (4.40, 8.35, 118.23 ppm; 5.00 A): 2 out of 4 assignments used, quality = 0.96: * HA TYR 70 + H ALA 72 OK 83 100 - 83 - 3.6/337=25, 4204/4.6=17...(26) HA ARG 28 + H ALA 72 OK 77 98 - 79 - 3.6/1004=18, 4568/4.6=14...(24) HA PRO 81 - H ALA 72 OK 26 90 - 29 - 5915/4.6=6, 1075/4.6=3...(12) HA GLN 55 - H ALA 72 OK 26 83 - 31 - 5.7/5685=6, 5173/2.9=5...(9) Peak 1070 from nnoeabs.peaks (3.87, 8.35, 118.23 ppm; 3.85 A): 4 out of 4 assignments used, quality = 0.86: * HA ALA 69 + H ALA 72 OK 59 100 - 59 - 4201/2.9=14, 4199=14...(11) HA3 GLY 29 + H ALA 72 OK 47 100 - 47 - 3.0/1004=15, 4201/2.9=9...(8) HA GLU 77 + H ALA 72 OK 20 100 - 20 - 4201/2.9=5, 1076/4.6=4...(6) HA GLU 22 + H ALA 72 OK 17 81 - 21 - 4201/2.9=6, 1076/4.6=2...(9) Peak 1071 from nnoeabs.peaks (3.54, 8.35, 118.23 ppm; 4.69 A): 1 out of 1 assignment used, quality = 0.84: * HA LYS 68 + H ALA 72 OK 84 100 - 84 - 4196/3.7=37, 1065/4.6=28...(13) Peak 1072 from nnoeabs.peaks (7.80, 8.35, 118.23 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.91: * H ALA 74 + H ALA 72 OK 91 100 - 91 - 4211/3.6=30, 1005/4.6=27...(20) Peak 1073 from nnoeabs.peaks (3.97, 8.57, 117.62 ppm; 3.85 A): 2 out of 7 assignments used, quality = 1.00: HA ALA 72 + H LEU 73 OK 100 100 - 100 - 3.6=100 * HA ALA 71 + H LEU 73 OK 67 100 - 67 - 4211/4.6=18, 3.6/1004=18...(11) HA GLU 25 - H LEU 73 OK 32 99 - 33 - 3.0/1077=7, 1638/1084=3...(12) HA PRO 19 - H LEU 73 OK 30 81 - 37 - 2.3/4343=11, 2.3/4343=11...(7) HA LEU 76 - H LEU 73 OK 21 68 - 31 - ~4221=5, 1078/4.6=4...(13) HA3 GLY 16 - H LEU 73 lone 5 99 - 5 - 3159/3.6=1 HB3 SER 62 - H LEU 73 lone 2 76 - 3 - Peak 1074 from nnoeabs.peaks (8.13, 8.57, 117.62 ppm; 4.41 A): 3 out of 5 assignments used, quality = 0.91: * H ALA 71 + H LEU 73 OK 78 100 - 79 - 1067=26, 4.6/1004=17...(16) H LEU 30 + H LEU 73 OK 49 89 - 55 - 122=15, 3.6/1076=12...(16) H ARG 27 + H LEU 73 OK 22 57 - 38 - 4.6/966=9, 337/4.6=4...(14) H ALA 89 - H LEU 73 lone 6 83 - 7 - 337/4.6=1, 5691/3.6=1 H MET 11 - H LEU 73 lone 6 68 - 9 - 122=1 Peak 1075 from nnoeabs.peaks (4.40, 8.57, 117.62 ppm; 3.76 A): 4 out of 4 assignments used, quality = 0.92: * HA TYR 70 + H LEU 73 OK 71 100 - 71 - 4204=21, 4209/4.6=15...(13) HA ARG 28 + H LEU 73 OK 63 98 - 64 - 3882=17, 3.0/966=10...(18) HA PRO 81 + H LEU 73 OK 17 90 - 19 - 4208/3.9=2, 4206/3.9=2...(6) HA GLN 55 + H LEU 73 OK 15 83 - 18 - 4206/3.9=3, 4208/3.9=3...(6) Peak 1076 from nnoeabs.peaks (3.87, 8.57, 117.62 ppm; 3.80 A): 4 out of 4 assignments used, quality = 0.82: HA3 GLY 29 + H LEU 73 OK 48 100 - 48 - 1873=13, 3.6/122=9...(11) * HA ALA 69 + H LEU 73 OK 45 100 - 45 - 4202=13, 4201/3.6=12...(7) HA GLU 77 + H LEU 73 OK 26 100 - 26 - 4201/3.6=4, ~4226=4...(8) HA GLU 22 + H LEU 73 OK 14 81 - 17 - 4201/3.6=5, 4163/1084=3...(4) Peak 1077 from nnoeabs.peaks (7.36, 8.57, 117.62 ppm; 4.70 A): 2 out of 3 assignments used, quality = 0.93: * H ALA 75 + H LEU 73 OK 87 100 - 87 - 1084=35, 350/4.6=33...(15) H GLU 25 + H LEU 73 OK 51 100 - 51 - 4216/3.6=11, 1035/3.0=8...(13) QE PHE 46 - H LEU 73 OK 26 89 - 29 - 4216/3.6=4, 1006/4.6=3...(9) Peak 1078 from nnoeabs.peaks (3.96, 7.80, 121.01 ppm; 3.53 A): 3 out of 8 assignments used, quality = 0.96: * HA ALA 72 + H ALA 74 OK 74 100 - 74 - 3.6/1005=25, 2.9/1072=21...(15) HA ALA 71 + H ALA 74 OK 73 100 - 74 - 4211=36, 3.6/1072=18...(15) HA LEU 76 + H ALA 74 OK 44 81 - 55 - 3.0/1082=18, 5.0/5743=11...(11) HA GLU 25 - H ALA 74 OK 35 97 - 36 - 3.0/1006=8, 1638/4.6=5...(12) HA LEU 23 - H ALA 74 OK 11 57 - 19 - 3.9/348=4, 4.3/4069=3...(6) HA3 GLY 16 - H ALA 74 lone 6 97 - 6 - 3.0/5737=2 HA PRO 19 - H ALA 74 lone 5 68 - 8 - 1073/4.6=2 HB3 SER 62 - H ALA 74 lone 1 63 - 1 - Peak 1079 from nnoeabs.peaks (8.35, 7.80, 121.01 ppm; 4.35 A): 3 out of 7 assignments used, quality = 0.99: * H ALA 72 + H ALA 74 OK 95 100 - 95 - 1072=50, 3.6/4211=31...(20) H ARG 28 + H ALA 74 OK 66 100 - 67 - 3.0/1081=11, 4.7/343=10...(23) H TYR 70 + H ALA 74 OK 55 95 - 59 - 3.0/4209=28, 5587/4.6=8...(14) H ASN 90 - H ALA 74 lone 3 60 - 5 - H GLU 37 - H ALA 74 lone 3 57 - 4 - H GLY 39 - H ALA 74 lone 2 63 - 4 - H GLY 40 - H ALA 74 lone 2 63 - 3 - Peak 1080 from nnoeabs.peaks (3.97, 7.80, 121.01 ppm; 3.62 A): 3 out of 7 assignments used, quality = 0.96: * HA ALA 71 + H ALA 74 OK 76 100 - 76 - 4211=38, 3.6/1072=19...(15) HA ALA 72 + H ALA 74 OK 76 100 - 76 - 3.6/1005=26, 2.9/1072=22...(15) HA LEU 76 + H ALA 74 OK 38 68 - 56 - 3.0/1082=19, 5.0/5743=12...(11) HA GLU 25 - H ALA 74 OK 37 99 - 38 - 3.0/1006=8, 1638/4.6=6...(12) HA PRO 19 - H ALA 74 lone 7 81 - 8 - 1073/4.6=2, 4365/5743=1 HA3 GLY 16 - H ALA 74 lone 7 99 - 7 - 3.0/5737=2 HB3 SER 62 - H ALA 74 lone 1 76 - 2 - Peak 1081 from nnoeabs.peaks (4.40, 7.80, 121.01 ppm; 4.36 A): 2 out of 4 assignments used, quality = 0.93: * HA TYR 70 + H ALA 74 OK 82 100 - 82 - 4209=39, 4.9/4211=22...(19) HA ARG 28 + H ALA 74 OK 62 98 - 64 - 3.6/343=13, 3882/4.6=10...(18) HA PRO 81 - H ALA 74 OK 22 90 - 24 - 3.6/1082=6, 4208/4.4=3...(8) HA GLN 55 - H ALA 74 OK 16 83 - 19 - 4206/4.4=4, 4208/4.4=3...(7) Peak 1082 from nnoeabs.peaks (8.54, 7.80, 121.01 ppm; 3.61 A): 3 out of 3 assignments used, quality = 0.80: * H LEU 76 + H ALA 74 OK 70 100 - 70 - 1089=20, 4.6/350=19...(14) H ASP 82 + H ALA 74 OK 19 100 - 19 - 4227/2.9=4, 1007/4.6=3...(8) H GLY 61 + H ALA 74 OK 15 97 - 15 - 1007/4.6=3, 4227/2.9=3...(7) Peak 1083 from nnoeabs.peaks (3.91, 7.36, 121.32 ppm; 3.77 A): 4 out of 4 assignments used, quality = 0.94: * HA LEU 73 + H ALA 75 OK 73 100 - 73 - 3.6/350=30, 3.0/1084=24...(18) HA LEU 76 + H ALA 75 OK 47 63 - 74 - 3.0/1007=23, 3.6/1087=10...(22) HA LEU 23 + H ALA 75 OK 37 85 - 44 - 3.6/962=7, 3.0/1030=7...(13) HA GLU 22 + H ALA 75 OK 33 76 - 43 - 4163=11, 3.6/1030=6...(15) Peak 1084 from nnoeabs.peaks (8.57, 7.36, 121.32 ppm; 3.13 A): 2 out of 2 assignments used, quality = 0.63: * H LEU 73 + H ALA 75 OK 52 100 - 52 - 4.6/350=14, 3.6/4216=8...(13) H GLY 29 + H ALA 75 OK 23 97 - 23 - 343/4.6=5, 116/3.4=2...(11) Peak 1085 from nnoeabs.peaks (3.96, 7.36, 121.32 ppm; 3.42 A): 4 out of 8 assignments used, quality = 0.97: * HA ALA 72 + H ALA 75 OK 71 100 - 71 - 3.6/1084=17, 4216=16...(18) HA LEU 76 + H ALA 75 OK 55 81 - 69 - 3.0/1007=20, 3.6/1087=8...(22) HA ALA 71 + H ALA 75 OK 53 100 - 53 - 4211/4.6=14, 4214=10...(16) HA GLU 25 + H ALA 75 OK 50 97 - 52 - 1638=15, 3.0/1644=8...(16) HA LEU 23 - H ALA 75 OK 17 57 - 30 - 3.6/962=6, 3.0/1030=6...(10) HA PRO 19 - H ALA 75 poor 9 68 - 13 - 4365/2.9=3, ~4236=2, ~4371=1 HA3 GLY 16 - H ALA 75 lone 6 97 - 6 - HB3 SER 62 - H ALA 75 lone 1 63 - 2 - Peak 1086 from nnoeabs.peaks (3.97, 7.36, 121.32 ppm; 3.46 A): 4 out of 7 assignments used, quality = 0.97: HA ALA 72 + H ALA 75 OK 71 100 - 72 - 3.6/1084=17, 4216=17...(19) * HA ALA 71 + H ALA 75 OK 54 100 - 54 - 4211/4.6=15, 4214=10...(16) HA GLU 25 + H ALA 75 OK 53 99 - 53 - 1638=15, 3.0/1644=8...(16) HA LEU 76 + H ALA 75 OK 47 68 - 70 - 3.0/1007=20, 3.6/1087=8...(22) HA PRO 19 - H ALA 75 OK 12 81 - 14 - 4365/2.9=4, ~4236=2, ~4371=1 HA3 GLY 16 - H ALA 75 lone 6 99 - 6 - HB3 SER 62 - H ALA 75 lone 1 76 - 2 - Peak 1087 from nnoeabs.peaks (8.26, 7.36, 121.32 ppm; 4.46 A): 5 out of 6 assignments used, quality = 0.92: * H GLU 77 + H ALA 75 OK 81 100 - 81 - 4.6/1007=20, 1095/3.6=18...(23) H VAL 66 + H ALA 75 OK 25 100 - 26 - 1008/4.6=5, 5732/3.4=4...(6) H ASP 88 + H ALA 75 OK 21 95 - 22 - 4228/3.6=4, 1008/4.6=4...(5) H ALA 86 + H ALA 75 OK 19 95 - 20 - 4234/2.9=3, 1008/4.6=3...(6) H LYS 64 + H ALA 75 OK 13 63 - 20 - 4.8/5748=4, 1008/4.6=2...(7) H GLY 16 - H ALA 75 poor 7 65 - 10 - 4228/3.6=1, 5732/3.4=1...(4) Peak 1088 from nnoeabs.peaks (4.15, 8.54, 118.14 ppm; 5.15 A): 2 out of 3 assignments used, quality = 0.96: * HA ALA 74 + H LEU 76 OK 92 100 - 92 - 2.9/1089=36, 4227=31...(22) HA MET 21 + H LEU 76 OK 47 100 - 48 - 1095/4.6=12, 4161/4.6=11...(13) HB THR 83 - H LEU 76 OK 12 71 - 17 - 3.8/393=4, 1095/4.6=2...(6) Peak 1089 from nnoeabs.peaks (7.80, 8.54, 118.14 ppm; 4.90 A): 1 out of 1 assignment used, quality = 0.91: * H ALA 74 + H LEU 76 OK 91 100 - 91 - 350/4.6=36, 1082=34...(18) Peak 1090 from nnoeabs.peaks (3.91, 8.54, 118.14 ppm; 3.36 A): 4 out of 4 assignments used, quality = 0.90: HA LEU 76 + H LEU 76 OK 63 63 - 100 - 3.0=100 * HA LEU 73 + H LEU 76 OK 47 100 - 47 - 4221=18, 3.6/1082=14...(10) HA LEU 23 + H LEU 76 OK 37 85 - 44 - 4221=14, 3.9/4482=7...(13) HA GLU 22 + H LEU 76 OK 17 76 - 23 - 4163/4.6=4, 4223/4.0=3...(9) Peak 1091 from nnoeabs.peaks (3.96, 8.54, 118.14 ppm; 3.37 A): 3 out of 8 assignments used, quality = 0.93: HA LEU 76 + H LEU 76 OK 81 81 - 100 - 3.0=100 * HA ALA 72 + H LEU 76 OK 49 100 - 49 - 4219=16, 4216/4.6=7...(12) HA ALA 71 + H LEU 76 OK 25 100 - 25 - 4211/1089=6, 4214/4.6=6...(8) HA GLU 25 - H LEU 76 OK 23 97 - 24 - 3.0/353=7, 1638/4.6=5...(6) HA LEU 23 - H LEU 76 OK 18 57 - 32 - 3.9/4482=7, 3230/4.0=4...(13) HA PRO 19 - H LEU 76 poor 8 68 - 11 - 4365/4.8=3, 4365/3.6=3 HA3 GLY 16 - H LEU 76 lone 5 97 - 5 - HB3 SER 62 - H LEU 76 lone 1 63 - 2 - 4.3/5405=1 Peak 1092 from nnoeabs.peaks (7.20, 8.54, 118.14 ppm; 4.34 A): 3 out of 3 assignments used, quality = 0.98: QD PHE 80 + H LEU 76 OK 86 100 - 86 - 4701/3.0=20, 4714=19...(23) * H LYS 78 + H LEU 76 OK 79 100 - 79 - 1098=18, 4.6/356=17...(21) QE PHE 57 + H LEU 76 OK 50 95 - 53 - 4235/3.6=14, 4665/3.6=10...(11) Peak 1093 from nnoeabs.peaks (2.05, 8.26, 115.68 ppm; 3.12 A): 6 out of 8 assignments used, quality = 0.93: HB3 GLU 77 + H GLU 77 OK 66 92 - 72 - 4.0=47, 1.8/3263=13...(10) * HA ALA 75 + H GLU 77 OK 43 100 - 44 - 3.6/356=12, 2.9/1087=7...(10) HG2 GLU 22 + H GLU 77 OK 26 92 - 28 - 1567/2.9=5, 3.0/3263=4...(11) HB2 MET 21 + H GLU 77 OK 23 99 - 23 - 3.0/1095=6, 2.9/879=4...(8) HG3 GLU 33 + H GLU 77 OK 22 99 - 22 - 1.8/878=5, 3.0/360=3...(8) QE MET 21 + H GLU 77 OK 17 100 - 17 - 3.4/879=4, 5.3/1095=3...(5) HB2 GLN 55 - H GLU 77 lone 8 92 - 8 - 5186/4.6=2, ~6049=2, 1.8/4033=1 HG3 GLN 55 - H GLU 77 lone 7 93 - 8 - 5193/4.6=3 Peak 1094 from nnoeabs.peaks (7.36, 8.26, 115.68 ppm; 4.98 A): 2 out of 3 assignments used, quality = 0.97: * H ALA 75 + H GLU 77 OK 88 100 - 88 - 1087=24, 1007/4.6=24...(24) H GLU 25 + H GLU 77 OK 72 100 - 72 - 1037/2.9=14, 602/5.0=11...(20) QE PHE 46 - H GLU 77 OK 19 89 - 22 - 5775/4.6=5, 5777/4.6=5...(4) Peak 1095 from nnoeabs.peaks (4.15, 8.26, 115.68 ppm; 4.01 A): 2 out of 3 assignments used, quality = 0.87: * HA ALA 74 + H GLU 77 OK 76 100 - 76 - 4228=23, 2.9/5796=15...(15) HA MET 21 + H GLU 77 OK 48 100 - 48 - 4232/4.0=9, 4230/4.0=7...(14) HB THR 83 - H GLU 77 poor 9 71 - 12 - 2.1/5941=4, 1088/4.6=1 Peak 1096 from nnoeabs.peaks (3.91, 8.26, 115.68 ppm; 3.69 A): 4 out of 4 assignments used, quality = 0.89: HA LEU 76 + H GLU 77 OK 63 63 - 100 - 3.6=100 * HA LEU 73 + H GLU 77 OK 43 100 - 43 - 3.6/5796=11, 4226=9...(10) HA LEU 23 + H GLU 77 OK 27 85 - 32 - 4221/4.6=6, 4226=6...(8) HA GLU 22 + H GLU 77 OK 26 76 - 34 - 3.0/3263=5, 4223/4.6=3...(14) Peak 1097 from nnoeabs.peaks (3.94, 7.20, 115.52 ppm; 4.99 A): 4 out of 5 assignments used, quality = 0.94: * HA LEU 76 + H LYS 78 OK 84 100 - 85 - 3.6/1009=22, 3.0/1098=19...(26) HA LEU 23 + H LYS 78 OK 41 98 - 42 - 3.9/4483=11, 3.0/5809=6...(14) HA ALA 72 + H LYS 78 OK 24 81 - 30 - 357/4.6=5, 4219/1098=4...(8) HA LEU 73 + H LYS 78 OK 15 63 - 24 - 4226/4.6=6, 3.9/5811=5...(6) HA ALA 71 - H LYS 78 poor 9 68 - 14 - 357/4.6=2, 5727/1100=1 Peak 1098 from nnoeabs.peaks (8.54, 7.20, 115.52 ppm; 5.01 A): 3 out of 3 assignments used, quality = 0.94: * H LEU 76 + H LYS 78 OK 86 100 - 86 - 356/4.6=22, 1092=18...(25) H ASP 82 + H LYS 78 OK 46 100 - 46 - 356/4.6=8, 5855/4.6=7...(20) H GLY 61 + H LYS 78 OK 23 97 - 23 - 356/4.6=5, 5855/4.6=3...(8) Peak 1099 from nnoeabs.peaks (2.05, 7.20, 115.52 ppm; 3.36 A): 4 out of 8 assignments used, quality = 0.93: HB3 GLU 77 + H LYS 78 OK 69 92 - 75 - 4.1=56, 1.8/4083=13...(9) * HA ALA 75 + H LYS 78 OK 54 100 - 54 - 4235=16, 3.6/1098=7...(13) HG3 GLN 55 + H LYS 78 OK 32 93 - 35 - 5193=6, 1.8/5100=4...(11) HB2 GLN 55 + H LYS 78 OK 32 92 - 34 - 2.9/5193=5, 5186=5...(10) HG2 GLU 22 - H LYS 78 OK 25 92 - 27 - 1567/3.6=5, 4.0/364=4...(9) HB2 MET 21 - H LYS 78 OK 24 99 - 25 - 3.0/1100=7, 1518/4.9=4...(8) HG3 GLU 33 - H LYS 78 OK 23 99 - 23 - 1.8/367=3, 2064/4.1=3...(11) QE MET 21 - H LYS 78 OK 18 100 - 18 - 5.3/1100=4, 1546/4.9=3...(5) Peak 1100 from nnoeabs.peaks (4.15, 7.20, 115.52 ppm; 4.54 A): 2 out of 3 assignments used, quality = 0.85: * HA ALA 74 + H LYS 78 OK 69 100 - 69 - 4233=23, 1095/4.6=15...(12) HA MET 21 + H LYS 78 OK 51 100 - 51 - 4232/4.1=11, 1095/4.6=9...(12) HB THR 83 - H LYS 78 lone 7 71 - 9 - 1095/4.6=2, 5798/4.9=1...(5) Peak 4281 from nnoeabs.peaks (4.01, 8.44, 110.79 ppm; 5.50 A): 4 out of 4 assignments used, quality = 0.78: HD2 PRO 19 + H THR 13 OK 43 89 - 49 - 4345/3.6=12...(10) HA LEU 79 + H THR 13 OK 36 100 - 36 - 4096/4.6=8, 4.0/18=6...(8) HA PRO 19 + H THR 13 OK 27 85 - 31 - 3.5/4285=9, 4364/4.0=8...(7) HB3 SER 62 + H THR 13 OK 18 89 - 20 - 5389/4.0=8, 2795/4.6=8 Peak 4285 from nnoeabs.peaks (7.61, 8.44, 110.79 ppm; 5.29 A): 2 out of 4 assignments used, quality = 0.72: H LYS 17 + H THR 13 OK 63 97 - 65 - 4313=48, 4316/4.0=15...(6) H VAL 20 + H THR 13 OK 25 92 - 28 - 3.5/4281=6, 4253/3802=5...(7) HD21 ASN 63 - H THR 13 lone 6 71 - 9 - 4.4/14=2, 459/3.6=2, 4253/3802=2 HD21 ASN 90 - H THR 13 lone 1 76 - 2 - Peak 4300 from nnoeabs.peaks (1.71, 8.29, 108.56 ppm; 6.20 A): 4 out of 9 assignments used, quality = 0.81: HB3 LYS 17 + H GLY 16 OK 46 99 - 47 - 4.0/956=26, 4307/3.0=11...(5) HB2 LYS 17 + H GLY 16 OK 46 98 - 47 - 4.0/956=26, 4307/3.0=11...(5) HB3 LYS 65 + H GLY 16 OK 25 76 - 34 - 4307/3.0=8, 553/4.6=4...(11) HG2 LYS 78 + H GLY 16 OK 11 97 - 11 - 4307/3.0=3 HB3 LYS 31 - H GLY 16 lone 8 96 - 8 - 4307/3.0=1, 5.3/37=1, 5.3/37=1 HB3 LYS 91 - H GLY 16 lone 7 71 - 9 - 5.0/37=2, 5.0/37=2 HB3 ARG 27 - H GLY 16 lone 6 93 - 6 - 4307/3.0=2 HB2 LEU 30 - H GLY 16 lone 5 81 - 6 - 3.1/4302=1, 4307/3.0=1 HB3 GLU 51 - H GLY 16 lone 2 60 - 4 - Peak 4301 from nnoeabs.peaks (1.61, 8.29, 108.56 ppm; 5.98 A): 2 out of 13 assignments used, quality = 0.94: HB2 LEU 12 + H GLY 16 OK 92 97 - 96 - 4260/3.0=29, ~4312=23...(16) HG LEU 85 + H GLY 16 OK 25 100 - 25 - 4303/3.0=4, ~4303=3...(10) HB2 LYS 68 - H GLY 16 OK 22 99 - 22 - 4303/3.0=4, ~4309=3...(6) HB3 LEU 85 - H GLY 16 OK 22 85 - 25 - 4303/3.0=4, ~4303=3...(11) HD3 LYS 65 - H GLY 16 OK 21 60 - 35 - 3.5/4300=5, ~4307=4...(11) HG LEU 87 - H GLY 16 OK 14 100 - 14 - 4303/3.0=2, 2.1/3599=1...(5) HB2 LEU 87 - H GLY 16 OK 13 97 - 13 - 4303/3.0=2, 4308/3.0=1...(4) HG LEU 73 - H GLY 16 lone 9 98 - 10 - 2.1/4302=2 HG LEU 23 - H GLY 16 lone 8 100 - 8 - ~4310=1, 4303/3.0=1 HD3 LYS 91 - H GLY 16 lone 6 65 - 10 - 3.0/37=2, 3.0/37=2, 3.7/4300=1 HD2 LYS 91 - H GLY 16 lone 6 63 - 10 - 3.0/37=2, 3.0/37=2, 3.7/4300=1 HD2 LYS 14 - H GLY 16 lone 5 68 - 7 - HD3 LYS 14 - H GLY 16 lone 5 65 - 7 - Peak 4302 from nnoeabs.peaks (0.75, 8.29, 108.56 ppm; 5.77 A): 2 out of 7 assignments used, quality = 0.96: QD1 LEU 12 + H GLY 16 OK 93 99 - 94 - 4268/3.0=34, ~4312=26...(15) QG1 VAL 20 + H GLY 16 OK 43 99 - 44 - 1496/4.6=9, 4311/3.0=8...(7) QG2 VAL 20 - H GLY 16 OK 31 73 - 43 - 4311/3.0=8, 4305/3.0=8...(7) QD1 LEU 73 - H GLY 16 OK 12 78 - 15 - 4.6/5737=3, 2.1/4301=1...(4) QD1 LEU 79 - H GLY 16 OK 11 89 - 13 - 4311/3.0=3, 4305/3.0=3...(4) HG2 LYS 26 - H GLY 16 lone 9 99 - 9 - 4311/3.0=1, 4305/3.0=1 QD1 LEU 30 - H GLY 16 lone 6 90 - 7 - 3.1/4300=1 Peak 4313 from nnoeabs.peaks (8.44, 7.60, 118.49 ppm; 5.20 A): 1 out of 1 assignment used, quality = 0.53: H THR 13 + H LYS 17 OK 53 100 - 53 - 4285=30, 4.0/4316=15...(6) Peak 4316 from nnoeabs.peaks (1.10, 7.60, 118.49 ppm; 5.63 A): 3 out of 4 assignments used, quality = 0.69: QG2 THR 13 + H LYS 17 OK 56 100 - 56 - 4.0/4313=33, 4317/4.0=8...(11) QG1 VAL 66 + H LYS 17 OK 18 87 - 21 - 4317/4.0=4, 4317/4.0=4...(5) QG2 THR 38 + H LYS 17 OK 14 85 - 16 - 4317/4.0=2, 4317/4.0=2 HG3 LYS 14 - H LYS 17 lone 10 100 - 10 - 531/4313=2, 4317/4.0=1 Peak 4318 from nnoeabs.peaks (0.67, 8.78, 121.13 ppm; 4.87 A): 6 out of 6 assignments used, quality = 0.90: QD2 LEU 12 + H ASN 18 OK 75 97 - 77 - 4258/3.0=41, 6149=22...(9) QG1 VAL 50 + H PHE 57 OK 26 34 - 76 - 5038/4.4=22, 5016/4.0=14...(17) QD1 ILE 35 + H ASN 18 OK 22 81 - 28 - 4353/4.8=6, 4362/4.8=4...(9) QD1 ILE 35 + H PHE 57 OK 14 38 - 38 - 4733/4.6=7, 4.8/154=6...(16) QG1 VAL 50 + H ASN 18 OK 11 73 - 15 - 4.0/5028=2, 5038/4649=1...(4) QD2 LEU 12 + H PHE 57 OK 10 51 - 20 - 6149=6, 1197/4.6=2...(5) Peak 4319 from nnoeabs.peaks (2.06, 8.78, 121.13 ppm; 4.78 A): 5 out of 16 assignments used, quality = 0.94: QE MET 21 + H ASN 18 OK 61 100 - 61 - 4427/5.7=16, 6155=13...(11) HB2 MET 21 + H ASN 18 OK 48 100 - 48 - 4.2/6155=10, 1513/5.7=9...(7) HG3 GLU 33 + H ASN 18 OK 40 100 - 40 - 3915=9, 1.8/3914=8...(11) HG3 GLU 33 + H PHE 57 OK 31 55 - 56 - 3915=13, 1.8/3914=11...(12) HA ALA 75 + H PHE 57 OK 29 54 - 53 - 2.1/5747=13, 5753/4.0=11...(9) HB2 GLN 55 - H PHE 57 OK 18 39 - 46 - 5187/4.4=11, 3.9/236=10...(8) HG3 GLN 55 - H ASN 18 OK 18 85 - 21 - 1.8/4320=4, 4.7/988=4...(5) HB2 GLN 55 - H ASN 18 OK 17 83 - 21 - 2.9/4320=4, 4.6/988=4...(6) HG3 GLN 55 - H PHE 57 OK 16 41 - 41 - 4.7/988=9, 4.9/236=8...(8) HA ALA 75 - H ASN 18 OK 16 100 - 16 - 2.1/5747=5, 5765/4.9=2 HG2 GLU 22 - H ASN 18 OK 12 97 - 12 - 6123/4.6=2, 6123/4.6=2 QE MET 21 - H PHE 57 OK 10 55 - 19 - 6155=4, 4443/4.6=4...(4) HB3 GLU 77 - H ASN 18 lone 9 97 - 10 - 4326/5.7=1, 4323/5.7=1 HB2 MET 21 - H PHE 57 poor 9 55 - 15 - 4.2/6155=3, 3842/4.6=3...(5) HG2 GLU 22 - H PHE 57 poor 6 51 - 11 - 6119/4.6=2, 1566/4.6=1 HB3 GLU 77 - H PHE 57 lone 4 51 - 9 - 4084/6.4=2, 2049/3912=1 Peak 4320 from nnoeabs.peaks (2.16, 8.78, 121.13 ppm; 5.89 A): 6 out of 6 assignments used, quality = 0.95: HB3 MET 21 + H ASN 18 OK 60 97 - 62 - 4.2/6155=16, 1520/5.7=14...(9) HB VAL 52 + H PHE 57 OK 41 55 - 75 - 4667/4.4=17, 4.0/5092=16...(16) HG2 GLN 55 + H PHE 57 OK 37 53 - 69 - 4667/4.4=16, 243/4.6=15...(15) HG2 GLN 55 + H ASN 18 OK 36 99 - 36 - 1.8/5194=6, 4.7/988=5...(12) HB VAL 52 + H ASN 18 OK 32 100 - 31 - 3.0/5095=5, 4.0/5092=5...(8) HB3 MET 21 + H PHE 57 OK 16 51 - 31 - 243/4.6=6, 4.2/6155=5...(9) Peak 4321 from nnoeabs.peaks (3.79, 8.78, 121.13 ppm; 5.52 A): 1 out of 8 assignments used, quality = 1.00: HD3 PRO 19 + H ASN 18 OK 100 100 - 100 - 4.8=100 HD2 PRO 84 - H ASN 18 OK 19 60 - 32 - 1443/4.8=11, 4346/3.0=6...(9) HA ALA 67 - H ASN 18 OK 14 93 - 15 - 1443/4.8=6, 5498/3.6=2...(4) HD3 PRO 19 - H PHE 57 OK 13 54 - 24 - 3.8/1419=6, 4358/4.6=4...(8) HA2 GLY 40 - H ASN 18 lone 3 83 - 4 - HA ALA 67 - H PHE 57 lone 2 47 - 5 - 3019/4.6=1 HD2 PRO 84 - H PHE 57 lone 2 26 - 8 - HA2 GLY 40 - H PHE 57 lone 1 39 - 3 - Peak 4322 from nnoeabs.peaks (4.03, 8.78, 121.13 ppm; 5.26 A): 1 out of 4 assignments used, quality = 1.00: HD2 PRO 19 + H ASN 18 OK 100 100 - 100 - 4.8=100 HA LEU 79 - H ASN 18 OK 16 78 - 20 - 1449/4.8=6, 2.9/46=2...(9) HD2 PRO 19 - H PHE 57 OK 12 54 - 21 - 3.8/1419=5, 4349/4.6=5...(7) HA LEU 79 - H PHE 57 poor 8 36 - 21 - 3377/4.6=5, 5859/6.4=5...(6) Peak 4323 from nnoeabs.peaks (2.07, 7.92, 114.69 ppm; 5.07 A): 2 out of 8 assignments used, quality = 0.98: HB2 MET 21 + HD21 ASN 18 OK 90 98 - 91 - 4.2/4427=22, 2.9/4332=21...(20) QE MET 21 + HD21 ASN 18 OK 83 97 - 86 - 4427=32, 1541/1.7=20...(14) HB3 GLU 77 - HD21 ASN 18 OK 17 100 - 18 - ~4331=4, 4326/1.7=3...(5) HG2 GLU 22 - HD21 ASN 18 OK 13 100 - 13 - 4326/1.7=4, ~4327=2, 3.0/4324=2 HG3 GLU 33 - HD21 ASN 18 OK 13 99 - 13 - 3915/5.7=4, 4326/1.7=2...(4) HG3 GLN 55 - HD21 ASN 18 OK 11 60 - 18 - 4326/1.7=2, ~5190=2...(7) HA ALA 75 - HD21 ASN 18 lone 7 92 - 7 - 4326/1.7=1 HB3 GLU 25 - HD21 ASN 18 lone 2 63 - 4 - ~4331=2 Peak 4324 from nnoeabs.peaks (1.94, 7.92, 114.69 ppm; 5.77 A): 3 out of 15 assignments used, quality = 0.92: HB VAL 20 + HD21 ASN 18 OK 73 100 - 74 - ~3839=17, ~3840=17...(11) HG2 PRO 19 + HD21 ASN 18 OK 58 89 - 66 - 2.3/4340=30, 2.3/6066=21...(6) HG3 PRO 84 + HD21 ASN 18 OK 24 99 - 25 - 2.3/6066=9, ~4341=3...(7) HB2 GLU 77 - HD21 ASN 18 OK 20 90 - 23 - ~4331=5, 1.8/4323=3...(6) HB3 GLU 22 - HD21 ASN 18 OK 18 100 - 18 - 4327/1.7=5, ~4326=3...(4) HB2 GLU 33 - HD21 ASN 18 OK 17 100 - 17 - 3912/5.7=5, 4327/1.7=3...(4) QE MET 48 - HD21 ASN 18 OK 15 96 - 15 - 4920/5.7=4, 4884/3.5=2...(4) HB2 LEU 76 - HD21 ASN 18 OK 13 100 - 13 - 4327/1.7=2, ~4329=2, 3.1/4325=1 HG3 GLU 49 - HD21 ASN 18 lone 7 90 - 8 - 4940/5.7=3, 4327/1.7=1 HG3 PRO 81 - HD21 ASN 18 lone 5 76 - 7 - 4327/1.7=1 HB2 GLN 58 - HD21 ASN 18 lone 5 87 - 5 - HB VAL 47 - HD21 ASN 18 lone 4 96 - 4 - HB3 PRO 81 - HD21 ASN 18 lone 4 65 - 6 - 1440/4340=1 HD2 LYS 78 - HD21 ASN 18 lone 3 78 - 4 - HB2 GLU 51 - HD21 ASN 18 lone 2 71 - 3 - Peak 4325 from nnoeabs.peaks (0.74, 7.92, 114.69 ppm; 6.20 A): 2 out of 7 assignments used, quality = 0.95: QG1 VAL 20 + HD21 ASN 18 OK 79 100 - 79 - 3839/1.7=19, ~3840=18...(14) QG2 VAL 20 + HD21 ASN 18 OK 74 95 - 78 - 3840/1.7=18, ~3839=18...(16) QD1 LEU 12 - HD21 ASN 18 OK 33 100 - 33 - ~4274=9, ~4328=7...(7) QD1 LEU 79 - HD21 ASN 18 OK 19 99 - 19 - 4329/1.7=4, 3406/4340=3...(7) HG2 LYS 26 - HD21 ASN 18 OK 11 100 - 11 - 4329/1.7=2, 4352/4340=1 QD2 LEU 76 - HD21 ASN 18 OK 11 65 - 17 - 4329/1.7=3, 4441/4427=2...(5) QD1 LEU 30 - HD21 ASN 18 lone 4 65 - 6 - 4243/5994=2 Peak 4326 from nnoeabs.peaks (2.06, 7.12, 114.69 ppm; 5.01 A): 2 out of 8 assignments used, quality = 0.99: HB2 MET 21 + HD22 ASN 18 OK 92 100 - 92 - 1.8/1520=21, 2.9/1527=20...(20) QE MET 21 + HD22 ASN 18 OK 90 99 - 91 - 4427/1.7=33, 1541=23...(17) HG2 GLU 22 - HD22 ASN 18 OK 26 100 - 27 - 5.0/1027=7, 5.0/64=7...(6) HB3 GLU 77 - HD22 ASN 18 OK 23 100 - 23 - 3.0/4331=5, 4323/1.7=3...(8) HG3 GLN 55 - HD22 ASN 18 OK 15 73 - 20 - 2.9/5190=2, 5194/5.7=2...(8) HG3 GLU 33 - HD22 ASN 18 OK 14 100 - 14 - 3915/5.7=4, 4323/1.7=2...(4) HB2 GLN 55 - HD22 ASN 18 OK 13 71 - 19 - 1.8/5190=3, 5187=2...(9) HA ALA 75 - HD22 ASN 18 OK 10 97 - 11 - 5756/1506=2, 4323/1.7=1 Peak 4327 from nnoeabs.peaks (1.94, 7.12, 114.69 ppm; 5.62 A): 3 out of 15 assignments used, quality = 0.94: HB VAL 20 + HD22 ASN 18 OK 75 100 - 76 - 2.1/3840=19, 2.1/3839=19...(12) HG2 PRO 19 + HD22 ASN 18 OK 65 89 - 73 - ~4340=26, 2.3/4341=17...(8) HB3 GLU 22 + HD22 ASN 18 OK 35 100 - 35 - 4.0/64=9, 4.6/1027=9...(11) HB2 GLU 77 - HD22 ASN 18 OK 25 90 - 28 - 3.0/4331=6, 1.8/4326=4...(8) HG3 PRO 84 - HD22 ASN 18 OK 23 99 - 23 - ~6066=7, 2.3/4341=4...(6) HB2 GLU 33 - HD22 ASN 18 OK 19 100 - 19 - 3912/5.7=4, 4324/1.7=3...(4) HB2 LEU 76 - HD22 ASN 18 OK 17 100 - 17 - 3.1/4329=3, 4324/1.7=2...(5) QE MET 48 - HD22 ASN 18 OK 16 96 - 17 - 4920/5.7=4, 4884/3.5=2...(4) HG3 GLU 49 - HD22 ASN 18 lone 9 90 - 9 - 4940/5.7=3, 4324/1.7=1 HG3 PRO 81 - HD22 ASN 18 poor 8 76 - 10 - 3496/3837=2, 568/958=1 HB2 GLN 58 - HD22 ASN 18 lone 7 87 - 7 - HB3 PRO 81 - HD22 ASN 18 lone 5 65 - 7 - 3482/3837=1 HB VAL 47 - HD22 ASN 18 lone 4 96 - 5 - HD2 LYS 78 - HD22 ASN 18 lone 4 78 - 5 - HB2 GLU 51 - HD22 ASN 18 lone 3 71 - 4 - Peak 4328 from nnoeabs.peaks (1.39, 7.12, 114.69 ppm; 5.90 A): 5 out of 10 assignments used, quality = 0.61: HB3 LEU 12 + HD22 ASN 18 OK 24 93 - 26 - ~4274=7, 3.1/4329=5...(9) QB ALA 69 + HD22 ASN 18 OK 18 100 - 18 - 6188/4341=3, 5582/3840=3...(7) HB3 LYS 56 + HD22 ASN 18 OK 16 96 - 17 - 3993/5.7=5, 4.6/565=2...(4) HD3 LYS 56 + HD22 ASN 18 OK 13 100 - 13 - 3997/5.7=5, 4383/958=1, 5.8/64=1 HG2 LYS 44 + HD22 ASN 18 OK 13 83 - 15 - 3.5/4330=6, 4.7/6065=3 QB ALA 67 - HD22 ASN 18 poor 9 85 - 11 - ~6066=3, 3021/4341=1, ~4337=1 HG2 LYS 68 - HD22 ASN 18 poor 8 78 - 10 - 4401/3840=2, ~5557=1 HB2 LYS 64 - HD22 ASN 18 lone 4 63 - 6 - HG2 LYS 31 - HD22 ASN 18 lone 3 87 - 4 - HG2 ARG 27 - HD22 ASN 18 lone 2 63 - 3 - Peak 4329 from nnoeabs.peaks (0.73, 7.12, 114.69 ppm; 4.74 A): 3 out of 7 assignments used, quality = 0.94: QG2 VAL 20 + HD22 ASN 18 OK 75 100 - 75 - 3840=20, 2.1/3839=17...(17) QG1 VAL 20 + HD22 ASN 18 OK 69 93 - 74 - 3839=18, 2.1/3840=17...(16) QD1 LEU 12 + HD22 ASN 18 OK 23 93 - 25 - ~4274=6, 3.1/4328=5...(6) QD1 LEU 79 - HD22 ASN 18 OK 17 100 - 17 - 4325/1.7=2, 5847/1520=1...(7) QD2 LEU 76 - HD22 ASN 18 OK 14 90 - 16 - 5782/1027=2, 3.1/4327=1 HG2 LYS 26 - HD22 ASN 18 lone 8 90 - 8 - 4325/1.7=1 HG3 LYS 64 - HD22 ASN 18 lone 4 68 - 5 - Peak 4330 from nnoeabs.peaks (2.63, 7.12, 114.69 ppm; 6.12 A): 1 out of 2 assignments used, quality = 0.97: HG2 MET 21 + HD22 ASN 18 OK 97 100 - 97 - 4332/1.7=34, ~4427=30...(23) HE2 LYS 44 - HD22 ASN 18 OK 22 97 - 23 - 4332/1.7=6, 3.5/4328=4...(8) Peak 4331 from nnoeabs.peaks (2.46, 7.12, 114.69 ppm; 6.19 A): 1 out of 4 assignments used, quality = 0.97: HG3 MET 21 + HD22 ASN 18 OK 97 100 - 97 - 1.8/4330=35, ~4427=30...(23) HG3 GLU 77 - HD22 ASN 18 OK 31 100 - 31 - 3.0/4326=4, 3.0/4327=3...(11) HG3 GLU 25 - HD22 ASN 18 OK 11 92 - 12 - 1511/1506=1, 1546/1541=1 HB3 ASP 43 - HD22 ASN 18 poor 9 76 - 11 - 4.2/6065=4, 4792=1 Peak 4332 from nnoeabs.peaks (2.64, 7.92, 114.69 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.95: HG2 MET 21 + HD21 ASN 18 OK 95 97 - 97 - 3.4/4427=35, 4330/1.7=35...(24) HE2 LYS 44 - HD21 ASN 18 OK 16 99 - 16 - 4330/1.7=8, 1545/4427=4 HB2 ASP 88 - HD21 ASN 18 lone 2 65 - 3 - Peak 4383 from nnoeabs.peaks (1.39, 7.59, 116.61 ppm; 4.63 A): 6 out of 11 assignments used, quality = 0.93: QB ALA 69 + H VAL 20 OK 66 97 - 68 - 2.1/6190=27, 5582/4.0=12...(11) HB3 LEU 12 + H VAL 20 OK 36 85 - 43 - 3.1/4253=10, 3.1/569=5...(15) HB3 LYS 56 + H VAL 20 OK 32 89 - 36 - 1.8/4384=6, 5214/3.5=4...(13) HD3 LYS 56 + H VAL 20 OK 31 100 - 31 - 3.4/4384=4, 5227/3.5=4...(12) HG2 LYS 68 + H VAL 20 OK 15 65 - 23 - 4401/4.0=7, 5551/4.0=3...(8) QB ALA 67 + H VAL 20 OK 14 73 - 19 - 2.1/58=6, 4377/4.9=3...(6) HG2 LYS 44 - H VAL 20 poor 10 71 - 14 - 2276=2, 2.9/2266=1...(6) HB3 LEU 34 - H VAL 20 poor 9 65 - 14 - 2084/3.5=2, 2084/3.5=2...(4) HD2 LYS 44 - H VAL 20 lone 7 68 - 10 - 3.0/2276=2, 1.8/2306=1...(4) HG2 LYS 31 - H VAL 20 lone 3 95 - 3 - HG2 ARG 27 - H VAL 20 lone 2 76 - 3 - Peak 4384 from nnoeabs.peaks (1.50, 7.59, 116.61 ppm; 4.03 A): 5 out of 13 assignments used, quality = 0.95: QB ALA 72 + H VAL 20 OK 73 100 - 73 - 5682/3.0=29, 5693=24...(15) HD3 LYS 17 + H VAL 20 OK 36 95 - 39 - 3.0/1359=6, 3.0/1369=5...(17) HD2 LYS 17 + H VAL 20 OK 36 95 - 39 - 3.0/1359=6, 3.0/1369=5...(17) HB2 LYS 56 + H VAL 20 OK 36 100 - 36 - 1.8/4383=4, 4389/3.0=3...(14) HG LEU 79 + H VAL 20 OK 32 81 - 40 - 4.3/57=7, 4389/3.0=5...(13) QB ALA 71 - H VAL 20 OK 20 73 - 27 - 4.2/5693=13, 4400/4.0=2...(10) HG LEU 34 - H VAL 20 OK 15 85 - 18 - 2091/3.5=3, 2091/3.5=3...(6) HB3 LYS 26 - H VAL 20 OK 12 78 - 15 - 1692/4.0=3, 4400/4.0=2...(5) HG2 GLU 37 - H VAL 20 lone 8 99 - 8 - 2185/4.9=1 HB2 LEU 85 - H VAL 20 lone 7 89 - 8 - 4.3/1019=1 HD3 LYS 64 - H VAL 20 lone 3 63 - 5 - 2882/4.0=1, 5439/4.0=1 HG3 ARG 27 - H VAL 20 lone 3 78 - 4 - HB2 ARG 45 - H VAL 20 lone 3 95 - 3 - Peak 4385 from nnoeabs.peaks (2.88, 7.59, 116.61 ppm; 5.23 A): 3 out of 10 assignments used, quality = 0.95: HB3 ASN 18 + H VAL 20 OK 74 92 - 81 - 3.0/4387=33, 4.8/57=20...(17) HB2 ASN 18 + H VAL 20 OK 73 90 - 81 - 3.0/4387=33, 4.8/57=20...(17) HE3 LYS 17 + H VAL 20 OK 34 85 - 40 - 3.9/1359=7, 3.9/1369=6...(10) HB3 ASN 24 - H VAL 20 OK 25 87 - 28 - 4429/4.6=8, 4394/4.0=7...(7) HE2 LYS 17 - H VAL 20 OK 23 60 - 39 - 3.9/1359=7, 3.9/1369=6...(10) HB3 ASN 63 - H VAL 20 OK 15 95 - 16 - 2815=3, 4429/4.6=2...(4) HB3 TYR 32 - H VAL 20 OK 14 85 - 17 - 4394/4.0=6, 4617/4.0=5 HE2 LYS 65 - H VAL 20 lone 6 99 - 6 - HE3 LYS 65 - H VAL 20 lone 5 97 - 5 - HB2 ASP 53 - H VAL 20 lone 5 78 - 7 - 5140/4.0=2 Peak 4386 from nnoeabs.peaks (3.89, 7.59, 116.61 ppm; 4.40 A): 5 out of 5 assignments used, quality = 0.91: HA GLU 22 + H VAL 20 OK 64 100 - 65 - 3.0/1019=15, 3.6/4486=12...(17) HA ALA 69 + H VAL 20 OK 56 83 - 67 - 6190=25, 4404/4.0=12...(11) HA GLU 77 + H VAL 20 OK 22 87 - 26 - 4390/3.0=5, 4404/4.0=4...(10) HA LEU 73 + H VAL 20 OK 19 73 - 25 - 4.5/5693=15, 4368/3.5=4...(4) HA3 GLY 29 + H VAL 20 OK 10 87 - 11 - 4201/5693=2, 4369/4.9=2...(6) Peak 4387 from nnoeabs.peaks (4.87, 7.59, 116.61 ppm; 5.35 A): 1 out of 1 assignment used, quality = 0.50: HA ASN 18 + H VAL 20 OK 50 71 - 70 - 3.8/57=26, 3.8/58=23...(8) Peak 4429 from nnoeabs.peaks (2.87, 7.12, 119.06 ppm; 4.07 A): 3 out of 10 assignments used, quality = 0.94: HB3 ASN 24 + H MET 21 OK 63 95 - 67 - ~4157=16, ~4158=12...(16) HB3 ASN 18 + H MET 21 OK 59 97 - 61 - 4159/3.0=8, 1436=7...(17) HB2 ASN 18 + H MET 21 OK 59 97 - 61 - 4159/3.0=8, 1436=7...(17) HB3 ASN 63 - H MET 21 OK 18 99 - 18 - 3.5/59=4, ~4157=4...(7) HE3 LYS 17 - H MET 21 OK 15 93 - 16 - 7.2/59=2, 4385/4.6=2...(10) HB3 TYR 32 - H MET 21 OK 11 93 - 12 - 4394/4.3=3, 4617/4.4=3 HE2 LYS 17 - H MET 21 OK 10 73 - 14 - 7.2/59=2, 4159/3.0=2...(9) HE2 LYS 65 - H MET 21 lone 5 97 - 5 - HE3 LYS 65 - H MET 21 lone 4 92 - 4 - HB2 ASP 53 - H MET 21 lone 2 65 - 4 - 5140/4.3=1 Peak 4445 from nnoeabs.peaks (4.66, 8.23, 120.42 ppm; 3.67 A): 3 out of 18 assignments used, quality = 0.65: HA LYS 56 + H LYS 56 OK 47 47 - 100 - 3.0=100 HA PHE 57 + H LYS 56 OK 23 47 - 49 - 248/4.6=9, 2630/4.0=7...(18) HA ASN 24 + H GLU 22 OK 14 60 - 23 - 2.9/1032=10, ~4162=8, ~1031=6 HA LYS 56 - H GLU 22 lone 10 100 - 10 - ~6122=1, 3.0/414=1 HA ASN 90 - H LYS 56 poor 9 41 - 22 - 2630/4.0=3, 2620/4.0=3...(9) HA ASN 90 - H GLU 22 lone 8 95 - 8 - 3.0/960=3, 3679/4.6=2...(4) HA GLU 33 - H GLU 22 lone 6 73 - 8 - 2043/5.0=1, 3.0/581=1 HA LYS 56 - H ASP 88 lone 5 79 - 6 - 2609/4.6=2, 3.0/414=1 HA GLU 33 - H LYS 56 poor 4 29 - 14 - 3911/4.6=3, 2630/4.0=1...(4) HA PHE 57 - H GLU 22 lone 2 100 - 2 - HA ASN 90 - H ASP 88 lone 2 72 - 3 - 3.0/960=2 HA ASN 24 - H ASP 88 lone 2 42 - 5 - 2.9/1032=4 HA GLU 33 - H ASP 88 lone 1 52 - 2 - HA PHE 57 - H ASP 88 lone 1 80 - 1 - HA HIS 42 - H GLU 22 lone 1 73 - 1 - HA ASN 24 - H LYS 56 lone 1 22 - 3 - 2.9/1032=2 HA HIS 42 - H ASP 88 lone 0 52 - 1 - HA HIS 42 - H LYS 56 lone 0 29 - 1 - Peak 4446 from nnoeabs.peaks (4.40, 8.23, 120.42 ppm; 3.34 A): 3 out of 12 assignments used, quality = 0.46: HA GLN 55 + H LYS 56 OK 32 36 - 88 - 3.6=82, 2602/4.7=8...(10) HA PRO 81 + H GLU 22 OK 11 93 - 12 - 5918/3.0=2, 3.6/1022=2...(4) HA GLN 55 + H GLU 22 OK 11 87 - 13 - 2573/4.6=2, 3.8/67=2...(5) HA TYR 70 - H LYS 56 lone 4 47 - 9 - 5224/4.0=2, 4205/4.6=1...(4) HA PRO 81 - H ASP 88 lone 4 70 - 6 - 5920/3.6=2 HA TYR 70 - H ASP 88 lone 4 81 - 5 - 5920/3.6=1 HA ARG 28 - H LYS 56 lone 4 46 - 9 - 2578/4.6=1, 2602/4.7=1...(6) HA PRO 81 - H LYS 56 lone 4 40 - 9 - 5224/4.0=1 HA GLN 55 - H ASP 88 lone 3 64 - 5 - 3986/4.6=1 HA TYR 70 - H GLU 22 lone 3 100 - 3 - HA ARG 28 - H ASP 88 lone 2 78 - 3 - HA ARG 28 - H GLU 22 lone 1 99 - 1 - Peak 4447 from nnoeabs.peaks (0.74, 8.23, 120.42 ppm; 4.50 A): 4 out of 21 assignments used, quality = 0.96: QG1 VAL 20 + H GLU 22 OK 72 100 - 73 - 4.3/959=17, 4.0/1019=13...(21) QG2 VAL 20 + H GLU 22 OK 67 95 - 71 - 4.3/959=17, 4.0/1019=13...(22) QD1 LEU 79 + H GLU 22 OK 33 99 - 34 - 5847/4.6=6, 4432/3.6=4...(11) QD2 LEU 76 + H GLU 22 OK 32 65 - 49 - 5782/4.6=8, 4452/4.0=6...(17) HG2 LYS 26 - H GLU 22 OK 23 100 - 23 - 4452/4.0=3, 6162/5.0=3...(9) QD1 LEU 79 - H LYS 56 OK 23 46 - 50 - 5847/4.7=9, 5169/4.6=6...(18) QG1 VAL 20 - H ASP 88 OK 18 80 - 23 - 4.3/959=5, 4.0/1019=4...(5) QG2 VAL 20 - H ASP 88 OK 16 72 - 23 - 4.3/959=5, 4.0/1019=4...(4) QG1 VAL 20 - H LYS 56 OK 16 47 - 34 - 4.3/959=4, 5182/4.7=4...(11) QD1 LEU 12 - H GLU 22 OK 16 100 - 15 - 4432/3.6=2, 62/4.6=2...(5) QD1 LEU 30 - H ASP 88 OK 15 46 - 33 - 1905/3.6=5, 6079/4.2=4...(13) QG2 VAL 20 - H LYS 56 OK 15 41 - 35 - 4.3/959=4, 2.1/4416=4...(13) QD1 LEU 79 - H ASP 88 OK 13 79 - 16 - 3405/4.6=4, 5844/3.6=3 HG2 LYS 26 - H ASP 88 OK 12 79 - 15 - 1705/4.8=2, 1704/4.8=2 QD2 LEU 76 - H ASP 88 OK 11 46 - 24 - 2.1/4080=3, 3.1/4077=3...(8) HG2 LYS 26 - H LYS 56 poor 8 47 - 17 - 5169/4.6=2, 5182/4.7=2...(5) QD1 LEU 30 - H GLU 22 poor 7 65 - 11 - 4591/4.6=2, 6032/3.0=1, ~6202=1 QD1 LEU 12 - H LYS 56 poor 7 47 - 14 - 1190/4.0=2, 5169/4.6=1 QD1 LEU 12 - H ASP 88 lone 6 80 - 7 - QD2 LEU 76 - H LYS 56 poor 4 25 - 17 - 6207/4.7=3, 4.0/6158=1...(4) QD1 LEU 30 - H LYS 56 poor 4 25 - 14 - 5169/4.6=3, 5182/4.7=3...(5) Peak 4467 from nnoeabs.peaks (1.48, 8.38, 119.18 ppm; 3.86 A): 6 out of 9 assignments used, quality = 0.92: HB3 LEU 76 + H LEU 23 OK 54 95 - 57 - 3.1/5782=13, 2.9/585=8...(16) HG LEU 79 + H LEU 23 OK 49 100 - 49 - 3.0/587=8, 2.1/590=8...(16) QB ALA 72 + H LEU 23 OK 42 87 - 48 - 6102/3.9=9, 5672/3.9=8...(12) HG3 LYS 78 + H LEU 23 OK 20 85 - 23 - 5815/4.8=4, 2.8/586=3...(7) HB2 LYS 56 + H LEU 23 OK 13 68 - 20 - 6122/3.6=3, 2.9/587=2...(8) HG LEU 12 + H LEU 23 OK 12 96 - 13 - 2.1/4468=2, 3.0/588=1...(4) HD2 LYS 64 - H LEU 23 lone 7 83 - 8 - 2872/5782=1, 2.9/4468=1 HG2 GLU 37 - H LEU 23 lone 6 65 - 8 - 6122/3.6=1 HB3 ARG 45 - H LEU 23 lone 2 78 - 2 - Peak 4468 from nnoeabs.peaks (0.73, 8.38, 119.18 ppm; 3.54 A): 4 out of 7 assignments used, quality = 0.95: QD2 LEU 76 + H LEU 23 OK 66 97 - 69 - 5782=16, 5785/4.6=11...(21) QG2 VAL 20 + H LEU 23 OK 54 100 - 55 - 3.2/4149=14, 4.3/1027=10...(18) QG1 VAL 20 + H LEU 23 OK 45 85 - 53 - 3.2/4149=14, 4414/4.6=11...(14) QD1 LEU 79 + H LEU 23 OK 44 97 - 45 - 2.1/4467=7, 2.1/590=7...(14) HG2 LYS 26 - H LEU 23 OK 26 81 - 33 - 3.0/589=5, ~4523=4...(13) QD1 LEU 12 - H LEU 23 OK 11 85 - 12 - 2.1/4467=2 HG3 LYS 64 - H LEU 23 poor 10 81 - 12 - 4462/5.0=2, 4465/5.0=2 Peak 4473 from nnoeabs.peaks (2.89, 8.38, 119.18 ppm; 4.80 A): 4 out of 11 assignments used, quality = 0.62: HB3 ASN 24 + H LEU 23 OK 30 60 - 50 - 3.7/961=34, 4.6/1036=18...(4) HB3 PHE 80 + H LEU 23 OK 27 73 - 36 - 4.8/1028=8, ~4701=7...(7) HB3 ASN 18 + H LEU 23 OK 14 68 - 21 - 3.5/1027=9, 1632/4.6=3...(6) HB2 ASN 18 + H LEU 23 OK 13 65 - 20 - 3.5/1027=9, 1632/4.6=3...(6) HE3 LYS 65 - H LEU 23 lone 7 100 - 7 - 3.8/587=3 HE2 LYS 65 - H LEU 23 lone 7 100 - 7 - 3.8/587=3 HB3 ASN 63 - H LEU 23 lone 7 73 - 9 - 3.5/4486=3, 594/4.6=2 HB2 ASP 53 - H LEU 23 lone 6 97 - 6 - 5139/4.8=1 HB2 ASN 63 - H LEU 23 lone 6 63 - 9 - 3.5/4486=3, 593/4.6=1 HE3 LYS 14 - H LEU 23 lone 3 73 - 4 - HE2 LYS 14 - H LEU 23 lone 3 65 - 4 - Peak 4486 from nnoeabs.peaks (7.59, 8.38, 119.18 ppm; 5.48 A): 4 out of 5 assignments used, quality = 0.93: H VAL 20 + H LEU 23 OK 85 100 - 85 - 3.0/4149=31, 3.5/4147=23...(19) H LYS 17 + H LEU 23 OK 30 99 - 30 - 1023/4.6=5, 1486/4149=3...(10) HD21 ASN 63 + H LEU 23 OK 19 99 - 19 - 1023/4.6=3, 5398/4.6=2...(8) H LYS 44 + H LEU 23 OK 14 83 - 16 - 4794/4155=4, 1023/4.6=3...(4) H SER 36 - H LEU 23 lone 2 57 - 3 - Peak 4487 from nnoeabs.peaks (8.17, 7.36, 115.27 ppm; 4.34 A): 2 out of 3 assignments used, quality = 0.59: H ARG 27 + H GLU 25 OK 54 97 - 56 - 96/4.6=28, 4512/3.0=19...(6) H LEU 79 + H GLU 25 OK 12 71 - 16 - 4512/3.0=4, 4.0/4502=2...(7) H LEU 87 - H GLU 25 lone 5 76 - 7 - 4.7/4503=1, 4512/3.0=1 Peak 4488 from nnoeabs.peaks (7.26, 7.74, 116.98 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.81: H LYS 26 + H ASN 24 OK 81 100 - 81 - 4511=41, 963/4.6=28...(13) Peak 4489 from nnoeabs.peaks (0.75, 7.74, 116.98 ppm; 3.82 A): 7 out of 7 assignments used, quality = 0.94: QG1 VAL 20 + H ASN 24 OK 58 99 - 59 - 4414=24, 3.2/4154=16...(12) QG2 VAL 20 + H ASN 24 OK 37 73 - 50 - 2.1/4414=23, 3.2/4154=16...(11) HG2 LYS 26 + H ASN 24 OK 33 99 - 33 - 4.9/4488=15, 3.0/82=5...(6) QD1 LEU 30 + H ASN 24 OK 27 90 - 30 - 6078/4.6=5, 6032/3.6=5...(10) QD1 LEU 79 + H ASN 24 OK 25 89 - 28 - 3.1/80=6, 3407/4.6=4...(9) QD1 LEU 12 + H ASN 24 OK 22 99 - 22 - 1188/2.9=3, 4500/5.4=3...(10) QD1 LEU 73 + H ASN 24 OK 20 78 - 25 - 3190/3.6=5, 3.9/3852=4...(8) Peak 4490 from nnoeabs.peaks (1.51, 7.74, 116.98 ppm; 4.71 A): 7 out of 16 assignments used, quality = 0.91: HB3 LYS 26 + H ASN 24 OK 53 100 - 53 - 4.0/4488=30, 4522/3.6=8...(9) QB ALA 72 + H ASN 24 OK 42 83 - 50 - 6102/4.6=10, 5672/4.6=9...(12) HG3 ARG 27 + H ASN 24 OK 24 100 - 24 - 6076/5.0=4, 4501/4.6=3...(8) HD2 LYS 17 + H ASN 24 OK 21 100 - 20 - 3.0/80=4, 3.0/80=3...(7) HD3 LYS 17 + H ASN 24 OK 21 100 - 20 - 3.0/80=4, 3.0/80=3...(7) HB2 LEU 85 + H ASN 24 OK 19 100 - 19 - 3.1/82=3, 3.0/81=3...(7) QB ALA 71 + H ASN 24 OK 19 99 - 19 - 5661/5.0=3, 4501/4.6=3...(5) HB2 LYS 56 - H ASN 24 OK 17 96 - 18 - 2.9/80=2, 4.0/1032=2...(6) HB3 LEU 87 - H ASN 24 OK 17 85 - 20 - 4.2/1032=5, 3.1/82=4...(4) HG LEU 30 - H ASN 24 OK 15 65 - 23 - 2.1/83=6, 3.0/82=5...(7) HG LEU 34 - H ASN 24 OK 10 100 - 10 - 4501/4.6=1, 3.0/79=1 HD2 LYS 56 - H ASN 24 lone 8 85 - 9 - 3.0/80=2, 5.8/1032=1 HD3 LYS 64 - H ASN 24 lone 7 97 - 7 - 2882/5785=3 HG2 GLU 37 - H ASN 24 lone 6 97 - 7 - 3.0/4492=1 HB2 ARG 45 - H ASN 24 lone 4 100 - 4 - HB3 LYS 44 - H ASN 24 lone 3 63 - 5 - 1.8/4492=1 Peak 4491 from nnoeabs.peaks (2.44, 7.74, 116.98 ppm; 5.02 A): 3 out of 4 assignments used, quality = 0.86: HG3 GLU 25 + H ASN 24 OK 60 100 - 61 - 5.0/84=30, 4.9/4488=27...(8) HG3 MET 21 + H ASN 24 OK 45 95 - 48 - 4.0/4156=32, 4436/3.7=5...(8) HG3 GLU 77 + H ASN 24 OK 35 93 - 37 - 602/4.6=13, 3.7/1031=6...(12) HB3 ASP 43 - H ASN 24 lone 8 99 - 8 - 602/4.6=1, 2243/2.9=1 Peak 4492 from nnoeabs.peaks (1.82, 7.74, 116.98 ppm; 4.90 A): 5 out of 11 assignments used, quality = 0.83: HG LEU 76 + H ASN 24 OK 55 95 - 58 - 2.1/5785=30, 3237/3.6=9...(8) HB2 GLU 22 + H ASN 24 OK 46 78 - 59 - 4.6/961=28, 3.0/4162=26...(5) HB3 GLU 33 + H ASN 24 OK 12 99 - 12 - 3.0/592=2, 2051/2.9=1...(4) HB2 GLU 49 + H ASN 24 OK 12 71 - 17 - 1.8/79=4, 3.0/79=3...(6) HB2 LYS 91 + H ASN 24 OK 11 63 - 17 - 1.8/3717=3, 3707=2...(7) HB2 GLU 37 - H ASN 24 lone 6 100 - 6 - HG3 GLU 51 - H ASN 24 lone 6 96 - 6 - 4477/4.6=1, 4476/4.6=1 HG2 GLU 51 - H ASN 24 lone 6 95 - 6 - 4477/4.6=1, 4476/4.6=1 HB2 MET 48 - H ASN 24 lone 6 65 - 9 - 4477/4.6=2, 4476/4.6=2...(4) HB2 LYS 44 - H ASN 24 lone 6 99 - 6 - HB VAL 66 - H ASN 24 lone 4 78 - 5 - 4.0/1032=1 Peak 4494 from nnoeabs.peaks (4.15, 7.87, 115.41 ppm; 4.63 A): 2 out of 3 assignments used, quality = 0.89: HA MET 21 + HD21 ASN 24 OK 84 99 - 85 - 4422=38, 4157/3.5=27...(16) HA ALA 74 + HD21 ASN 24 OK 30 100 - 30 - 4158/3.5=9, 4495/1.7=8...(5) HB THR 83 - HD21 ASN 24 lone 3 63 - 4 - Peak 4495 from nnoeabs.peaks (4.16, 6.98, 115.41 ppm; 5.33 A): 2 out of 2 assignments used, quality = 0.89: HA MET 21 + HD22 ASN 24 OK 84 95 - 89 - 4422/1.7=37, 4421=37...(15) HA ALA 74 + HD22 ASN 24 OK 31 99 - 32 - 4494/1.7=12, 4158/3.5=10...(4) Peak 4496 from nnoeabs.peaks (1.67, 6.98, 115.41 ppm; 4.99 A): 2 out of 13 assignments used, quality = 0.53: HG3 ARG 28 + HD22 ASN 24 OK 32 96 - 34 - 4567=12, 1.8/4567=12...(4) HG2 ARG 28 + HD22 ASN 24 OK 31 93 - 34 - 4567=12, 1.8/4567=12...(4) HB3 LYS 91 - HD22 ASN 24 poor 10 95 - 10 - 4499/1.7=3, 4.0/452=3 HB2 LEU 30 - HD22 ASN 24 poor 9 89 - 10 - 4499/1.7=3, 3.1/4497=2, ~4500=1 HB3 ARG 27 - HD22 ASN 24 poor 7 73 - 10 - 4499/1.7=3, 3.0/453=2...(5) HB3 LEU 73 - HD22 ASN 24 lone 6 100 - 6 - 4499/1.7=2 HD3 LYS 31 - HD22 ASN 24 lone 6 100 - 6 - 4499/1.7=2, ~4499=2 HD2 LYS 31 - HD22 ASN 24 lone 6 100 - 6 - 4499/1.7=2, ~4499=2 HB3 LYS 31 - HD22 ASN 24 lone 5 68 - 8 - 4499/1.7=2 HG2 LYS 78 - HD22 ASN 24 lone 3 65 - 5 - 4499/1.7=2 HB2 LYS 14 - HD22 ASN 24 lone 3 63 - 5 - HB3 LYS 14 - HD22 ASN 24 lone 3 63 - 5 - HB3 GLU 51 - HD22 ASN 24 lone 3 98 - 3 - Peak 4497 from nnoeabs.peaks (0.75, 6.98, 115.41 ppm; 3.72 A): 4 out of 7 assignments used, quality = 0.85: QG1 VAL 20 + HD22 ASN 24 OK 55 100 - 55 - 4406=32, 4415/1.7=12...(7) QG2 VAL 20 + HD22 ASN 24 OK 42 85 - 50 - 2.1/4406=27, ~4415=8...(11) QD1 LEU 12 + HD22 ASN 24 OK 25 100 - 25 - 4500/1.7=6, ~1194=3...(12) QD1 LEU 79 + HD22 ASN 24 OK 22 96 - 23 - 4500/1.7=6, ~4101=3...(9) QD1 LEU 30 - HD22 ASN 24 lone 7 81 - 9 - 4489/5.4=2, 4500/1.7=2...(5) HG2 LYS 26 - HD22 ASN 24 lone 7 100 - 7 - 4489/5.4=2, 4500/1.7=2 QD1 LEU 73 - HD22 ASN 24 lone 3 65 - 5 - 4489/5.4=1 Peak 4498 from nnoeabs.peaks (2.08, 7.87, 115.41 ppm; 5.65 A): 5 out of 7 assignments used, quality = 0.89: HB2 MET 21 + HD21 ASN 24 OK 71 83 - 86 - 3.0/4422=34, ~4421=26...(14) QE MET 21 + HD21 ASN 24 OK 33 78 - 43 - 5.3/4422=24, 3.4/4424=6...(7) HB3 GLU 77 + HD21 ASN 24 OK 23 97 - 24 - 3.0/5790=7, 4.1/5823=6...(5) HB3 GLU 25 + HD21 ASN 24 OK 14 89 - 16 - ~4505=9, ~6029=2, 4232/4422=1 HA ALA 75 + HD21 ASN 24 OK 14 68 - 20 - ~3859=5, ~3860=3...(4) HG3 GLU 33 - HD21 ASN 24 lone 7 87 - 8 - 2063/4.4=1, 4.2/447=1 HG2 GLU 22 - HD21 ASN 24 lone 7 97 - 8 - 4465/5784=1, 1508/4422=1 Peak 4499 from nnoeabs.peaks (1.68, 7.87, 115.41 ppm; 5.36 A): 5 out of 11 assignments used, quality = 0.64: HG3 ARG 28 + HD21 ASN 24 OK 28 89 - 32 - 4567/1.7=14, ~4567=12, ~4496=9 HG2 ARG 28 + HD21 ASN 24 OK 27 85 - 32 - 4567/1.7=14, ~4567=12, ~4496=9 HB2 LEU 30 + HD21 ASN 24 OK 12 96 - 12 - 4496/1.7=3, 3.1/4500=2, ~4497=1 HB3 LYS 91 + HD21 ASN 24 OK 12 99 - 12 - 4496/1.7=4, 4.0/446=3 HB3 ARG 27 + HD21 ASN 24 OK 11 85 - 13 - 4496/1.7=3, 3.0/447=2...(5) HG2 LYS 78 - HD21 ASN 24 poor 9 78 - 12 - 4.9/5823=5, 4496/1.7=1 HB3 LEU 73 - HD21 ASN 24 lone 8 99 - 8 - 4496/1.7=2 HD3 LYS 31 - HD21 ASN 24 lone 8 99 - 7 - 4496/1.7=2, ~4496=2, 4.9/1624=1 HD2 LYS 31 - HD21 ASN 24 lone 7 99 - 7 - 4496/1.7=2, ~4496=2, 4.9/1624=1 HB3 LYS 31 - HD21 ASN 24 lone 7 81 - 9 - 4496/1.7=2, 3.0/1624=1 HB3 GLU 51 - HD21 ASN 24 lone 4 100 - 4 - Peak 4500 from nnoeabs.peaks (0.75, 7.87, 115.41 ppm; 3.87 A): 4 out of 7 assignments used, quality = 0.90: QG1 VAL 20 + HD21 ASN 24 OK 59 100 - 59 - 4406/1.7=31, 4415=14...(9) QG2 VAL 20 + HD21 ASN 24 OK 45 85 - 53 - ~4406=21, 2.1/4415=12...(11) QD1 LEU 79 + HD21 ASN 24 OK 34 96 - 36 - 4497/1.7=5, 2.1/4101=5...(11) QD1 LEU 12 + HD21 ASN 24 OK 34 100 - 34 - 4497/1.7=6, 1187=5...(11) HG2 LYS 26 - HD21 ASN 24 lone 9 100 - 9 - 4489/5.4=2, 4497/1.7=2 QD1 LEU 30 - HD21 ASN 24 poor 9 81 - 11 - 4489/5.4=2, 4497/1.7=2...(5) QD1 LEU 73 - HD21 ASN 24 lone 4 65 - 6 - 4489/5.4=1, 3.1/4499=1 Peak 4501 from nnoeabs.peaks (1.52, 7.36, 115.27 ppm; 4.91 A): 4 out of 16 assignments used, quality = 0.93: HB3 LYS 26 + H GLU 25 OK 71 100 - 71 - 4.0/963=40, 4.3/4487=23...(8) QB ALA 71 + H GLU 25 OK 42 100 - 42 - 2.1/4214=12, 3.7/5686=9...(13) QB ALA 72 + H GLU 25 OK 39 71 - 55 - 2.1/4216=15, 2.9/5686=11...(13) HG3 ARG 27 + H GLU 25 OK 36 100 - 36 - 4.9/4487=20, 4.1/85=6...(5) HG LEU 34 - H GLU 25 OK 16 100 - 16 - 2.1/4502=3, 606/4.6=2...(4) HG LEU 30 - H GLU 25 OK 15 78 - 19 - 2.1/4504=5, 3.0/4503=4...(5) HD2 LYS 17 - H GLU 25 OK 13 98 - 13 - 3.0/4502=2, 4490/4.6=2...(4) HD3 LYS 17 - H GLU 25 OK 13 98 - 13 - 3.0/4502=2, 4490/4.6=2...(4) HB3 LEU 87 - H GLU 25 OK 11 93 - 12 - 3.9/4487=2, 3.1/4503=2...(4) HB2 LEU 85 - H GLU 25 OK 11 100 - 11 - 3.1/4503=2, 4490/4.6=2 HB2 LYS 56 - H GLU 25 poor 9 89 - 10 - 4490/4.6=2, 606/4.6=1 HD3 LYS 64 - H GLU 25 lone 7 99 - 7 - HD2 LYS 56 - H GLU 25 lone 7 93 - 7 - HG2 GLU 37 - H GLU 25 lone 5 90 - 6 - HB3 LYS 44 - H GLU 25 lone 4 76 - 5 - 606/4.6=1 HB2 ARG 45 - H GLU 25 lone 4 98 - 4 - Peak 4502 from nnoeabs.peaks (1.23, 7.36, 115.27 ppm; 5.05 A): 7 out of 9 assignments used, quality = 0.82: HG3 LYS 26 + H GLU 25 OK 46 78 - 59 - 4.9/963=34, 3.0/4503=9...(8) HD2 LYS 68 + H GLU 25 OK 25 100 - 25 - 3.0/601=6, 3.0/599=5...(7) HD3 LYS 68 + H GLU 25 OK 25 100 - 25 - 3.0/601=6, 3.0/599=5...(7) QD1 LEU 34 + H GLU 25 OK 14 97 - 15 - 2.1/4501=2, 608/4.6=2...(4) HB2 LEU 79 + H GLU 25 OK 13 73 - 18 - 4.0/4487=5, 3.1/4504=3, 80/4.6=2 HG2 LYS 17 + H GLU 25 OK 12 97 - 12 - 3.0/4501=2, 3.0/4501=2...(4) HG2 LYS 14 + H GLU 25 OK 10 68 - 15 - 1708/4.6=6, 3.9/86=2...(5) QG2 THR 83 - H GLU 25 lone 7 92 - 8 - 2.1/1038=2, 608/4.6=1 HG13 ILE 35 - H GLU 25 lone 5 100 - 4 - Peak 4503 from nnoeabs.peaks (0.90, 7.36, 115.27 ppm; 5.10 A): 4 out of 6 assignments used, quality = 0.93: QD2 LEU 23 + H GLU 25 OK 68 99 - 69 - 5.0/84=31, 4.8/1036=19...(13) HD3 LYS 26 + H GLU 25 OK 57 99 - 57 - 5.8/963=28, 3.0/4502=10...(10) QD1 LEU 76 + H GLU 25 OK 33 73 - 45 - 4.0/1035=10, 4.8/353=10...(11) HB3 LEU 30 + H GLU 25 OK 28 99 - 28 - 3.1/4504=5, 610/4.6=5...(9) QD1 LEU 87 - H GLU 25 OK 17 96 - 18 - 82/4.6=3, 610/4.6=3...(6) QD1 LEU 85 - H GLU 25 OK 13 92 - 14 - 610/4.6=3, 82/4.6=2, 3.1/4501=1 Peak 4504 from nnoeabs.peaks (0.77, 7.36, 115.27 ppm; 4.73 A): 5 out of 7 assignments used, quality = 0.94: QD1 LEU 23 + H GLU 25 OK 56 87 - 64 - 5.0/84=27, 4.8/1036=16...(11) QD1 LEU 73 + H GLU 25 OK 51 99 - 51 - 4.6/1006=9, 4.4/1077=8...(16) HG2 LYS 26 + H GLU 25 OK 47 78 - 60 - 4.9/963=31, 1.8/4502=10...(11) QD1 LEU 30 + H GLU 25 OK 31 100 - 31 - 3.1/4503=4, 6031/3.6=3...(9) QG1 VAL 20 + H GLU 25 OK 28 73 - 38 - 4414/4.6=17, 5140/4.6=4...(8) QD2 LEU 79 - H GLU 25 OK 19 92 - 21 - 4.8/4487=4, 83/4.6=4...(5) QD1 LEU 12 - H GLU 25 OK 12 73 - 17 - 1188/3.6=3, 4489/4.6=2...(5) Peak 4511 from nnoeabs.peaks (7.75, 7.27, 116.25 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.82: H ASN 24 + H LYS 26 OK 82 97 - 85 - 4488=48, 4.6/963=31...(13) Peak 4518 from nnoeabs.peaks (4.64, 7.27, 116.25 ppm; 4.12 A): 2 out of 11 assignments used, quality = 0.78: HA ASN 24 + H LYS 26 OK 61 99 - 61 - 3.6/963=34, 2.9/4488=29...(4) HA ARG 27 + H LYS 26 OK 45 87 - 52 - 3.0/96=42, 3.0/4527=6...(5) HA ASN 63 - H LYS 26 lone 8 95 - 8 - 5407/4.6=3, 592/4488=2 HA GLU 33 - H LYS 26 lone 7 100 - 7 - 4.2/94=1, 2042/4.9=1 HA LYS 56 - H LYS 26 lone 4 68 - 6 - 3.0/606=1 HA LEU 12 - H LYS 26 lone 4 63 - 6 - 4.0/607=2 HA THR 38 - H LYS 26 lone 3 76 - 4 - 614/4.6=1 HA HIS 42 - H LYS 26 lone 3 100 - 3 - HA ASP 82 - H LYS 26 lone 2 87 - 3 - HA PHE 57 - H LYS 26 lone 2 89 - 3 - HA ASP 43 - H LYS 26 lone 2 57 - 4 - Peak 4526 from nnoeabs.peaks (3.94, 7.27, 116.25 ppm; 3.58 A): 4 out of 4 assignments used, quality = 0.83: HA LEU 23 + H LYS 26 OK 63 100 - 63 - 6156=25, 3.6/4488=19...(15) HA LEU 76 + H LYS 26 OK 30 100 - 30 - 1035/4.6=4, 4521/4.0=4...(12) HA LEU 73 + H LYS 26 OK 24 73 - 33 - 6156=11, 4521/4.0=4...(11) HA ALA 72 + H LYS 26 OK 14 71 - 20 - 4216/4.6=4, 4522/4.0=2...(9) Peak 4527 from nnoeabs.peaks (1.79, 7.27, 116.25 ppm; 4.79 A): 7 out of 17 assignments used, quality = 0.88: HB2 ARG 27 + H LYS 26 OK 56 96 - 59 - 4.0/96=40, 3.0/4518=12...(7) QB ALA 74 + H LYS 26 OK 33 96 - 35 - 3.4/90=10, 4073/4.6=8...(8) HG LEU 76 + H LYS 26 OK 22 83 - 27 - 3.6/4526=9, 5779/4.6=4...(7) HB2 LYS 31 + H LYS 26 OK 18 100 - 18 - 615/4.6=4, 3.0/605=3...(5) HB2 MET 48 + H LYS 26 OK 17 99 - 17 - 3.0/612=3, ~1677=2...(7) HB2 LYS 44 + H LYS 26 OK 13 65 - 21 - 2.9/1708=4, 3.7/605=3...(10) HB2 LYS 91 + H LYS 26 OK 12 100 - 12 - 3.0/604=3, 3708/3.0=3...(4) HD3 LYS 78 - H LYS 26 lone 7 100 - 7 - 3.7/92=1, 615/4.6=1 HB2 ARG 28 - H LYS 26 lone 7 100 - 7 - 615/4.6=3 HG3 GLU 37 - H LYS 26 lone 7 100 - 7 - HB3 GLU 33 - H LYS 26 lone 7 65 - 10 - 3.0/94=2, 3.0/4518=2, 2054/4.9=1 HB3 ARG 28 - H LYS 26 lone 6 81 - 7 - 615/4.6=3 QE MET 11 - H LYS 26 lone 4 85 - 5 - 4243/4.9=1 HB2 LYS 65 - H LYS 26 lone 4 100 - 4 - HG2 GLU 51 - H LYS 26 lone 3 83 - 3 - HB2 GLU 37 - H LYS 26 lone 3 63 - 4 - HG3 GLU 51 - H LYS 26 lone 3 81 - 3 - Peak 4555 from nnoeabs.peaks (3.96, 8.16, 120.88 ppm; 4.25 A): 5 out of 7 assignments used, quality = 0.91: HA GLU 25 + H ARG 27 OK 60 93 - 64 - 3.6/96=38, 3.0/4487=22...(5) HA ALA 71 + H ARG 27 OK 44 99 - 45 - 3.6/965=8, 4.9/4556=6...(13) HA ALA 72 + H ARG 27 OK 36 100 - 37 - 2.9/965=9, 3155/4.6=5...(10) HA LEU 76 + H ARG 27 OK 18 87 - 21 - 4522/4.3=4, 4526/4.6=3...(7) HA LEU 23 + H ARG 27 OK 18 65 - 28 - 6156/4.6=10, 4522/4.3=5...(6) HA3 GLY 16 - H ARG 27 lone 4 93 - 5 - HA PRO 19 - H ARG 27 lone 4 60 - 7 - 91/4.6=2 Peak 4556 from nnoeabs.peaks (4.41, 8.16, 120.88 ppm; 4.47 A): 2 out of 4 assignments used, quality = 0.73: HA ARG 28 + H ARG 27 OK 58 100 - 59 - 3.0/106=26, ~107=12...(11) HA TYR 70 + H ARG 27 OK 35 96 - 37 - 622/4.6=8, 3.0/965=7...(10) HA GLN 55 - H ARG 27 lone 9 99 - 9 - 622/4.6=2, 5173/4.9=1 HA PRO 81 - H ARG 27 lone 7 100 - 7 - 622/4.6=2 Peak 4557 from nnoeabs.peaks (0.88, 8.35, 122.42 ppm; 4.46 A): 7 out of 7 assignments used, quality = 0.88: QD2 LEU 30 + H ARG 28 OK 43 93 - 47 - 2.1/4558=10, 4545/4.2=8...(10) HB3 LEU 30 + H ARG 28 OK 40 92 - 44 - 3.1/4558=9, 4545/4.2=8...(9) QB ALA 75 + H ARG 28 OK 32 93 - 34 - 5745=7, 4.5/5733=5...(11) HD3 LYS 26 + H ARG 28 OK 22 92 - 24 - 103/4.6=6, 4546/4.2=4...(7) QD1 LEU 76 + H ARG 28 OK 16 100 - 16 - 4576/4.7=2, 2.1/5782=2...(6) QD1 LEU 87 + H ARG 28 OK 12 97 - 12 - 103/4.6=2, 4545/4.2=2...(4) QD1 LEU 85 + H ARG 28 OK 10 99 - 10 - 103/4.6=2, 4546/4.2=1...(4) Peak 4558 from nnoeabs.peaks (0.79, 8.35, 122.42 ppm; 4.79 A): 5 out of 5 assignments used, quality = 0.94: QD1 LEU 73 + H ARG 28 OK 73 97 - 75 - 5704=14, 4.4/966=12...(21) QD1 LEU 30 + H ARG 28 OK 57 90 - 64 - 4544/4.2=12, 2.1/4557=10...(15) QD1 LEU 23 + H ARG 28 OK 27 100 - 27 - 4548/5.0=6, 4544/4.2=5...(6) QD2 LEU 79 + H ARG 28 OK 15 100 - 15 - 4544/4.2=3, 4548/5.0=3 HG3 LYS 68 + H ARG 28 OK 15 89 - 17 - 3.9/4197=4, 5528/4637=2...(4) Peak 4575 from nnoeabs.peaks (1.53, 8.59, 108.95 ppm; 5.04 A): 5 out of 13 assignments used, quality = 0.94: QB ALA 71 + H GLY 29 OK 76 93 - 82 - 2.1/5641=23, 5622=23...(16) HG LEU 30 + H GLY 29 OK 49 99 - 49 - 5.1/122=17, 2.1/4576=9...(11) HG3 ARG 27 + H GLY 29 OK 37 90 - 41 - 5.0/966=16, 3.0/121=8...(12) HB3 LEU 87 + H GLY 29 OK 16 100 - 16 - 636/4.6=5, 3.1/4576=3...(5) HB3 LYS 26 + H GLY 29 OK 14 90 - 15 - 3.6/4576=3, 636/4.6=2...(4) HB2 LEU 85 - H GLY 29 poor 8 81 - 10 - 3.1/4576=2, 636/4.6=1 HD2 LYS 56 - H GLY 29 lone 6 100 - 6 - 111/4.7=1 HB3 LYS 44 - H GLY 29 lone 5 99 - 5 - HD3 LYS 64 - H GLY 29 lone 4 97 - 5 - HG LEU 34 - H GLY 29 lone 4 85 - 5 - 111/4.7=1 HD2 LYS 17 - H GLY 29 lone 3 71 - 4 - HD3 LYS 17 - H GLY 29 lone 3 71 - 4 - HB2 ARG 45 - H GLY 29 lone 2 71 - 2 - Peak 4576 from nnoeabs.peaks (0.88, 8.59, 108.95 ppm; 5.07 A): 7 out of 7 assignments used, quality = 0.94: HB3 LEU 30 + H GLY 29 OK 51 92 - 56 - 4.0/122=21, 3.0/4575=7...(15) QD2 LEU 30 + H GLY 29 OK 51 93 - 54 - 4.8/122=18, 4574/3.0=8...(11) QB ALA 75 + H GLY 29 OK 43 93 - 47 - 2.9/1084=14, 5745/4.7=6...(13) QD1 LEU 76 + H GLY 29 OK 19 100 - 19 - 4557/4.7=3, 4574/3.0=2...(9) HD3 LYS 26 + H GLY 29 OK 19 92 - 21 - 4557/4.7=4, 635/4.6=2...(8) QD1 LEU 87 + H GLY 29 OK 17 97 - 17 - 635/4.6=3, 3.1/4575=2...(6) QD1 LEU 85 + H GLY 29 OK 13 99 - 13 - 4574/3.0=2, 4557/4.7=2...(6) Peak 4579 from nnoeabs.peaks (0.26, 8.11, 119.36 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.89: QG2 VAL 50 + H LEU 30 OK 89 100 - 89 - 4582/4.0=30, 4581/4.0=28...(13) QG2 VAL 50 - H MET 11 poor 8 59 - 14 - 4585/1904=2, 4586/1911=2...(6) Peak 4588 from nnoeabs.peaks (4.42, 8.11, 119.36 ppm; 4.03 A): 4 out of 8 assignments used, quality = 0.84: HA ARG 28 + H LEU 30 OK 55 98 - 56 - 4559/3.6=22, 4568=18...(6) HA TYR 70 + H LEU 30 OK 38 87 - 44 - 4204/4.6=8, 4057=7...(12) HA PRO 81 + H LEU 30 OK 29 100 - 29 - 5915=11, 5918/3.6=9...(5) HA PRO 81 + H MET 11 OK 17 60 - 29 - 5915=11, ~1121=4...(7) HA GLN 55 - H LEU 30 lone 9 100 - 9 - ~5150=2, 4577/3.6=1...(4) HA ARG 28 - H MET 11 lone 5 56 - 9 - 4568=3, 3.6/967=2 HA TYR 70 - H MET 11 lone 4 46 - 9 - 3.0/1002=1, 4205/6.2=1, 4057=1 HA GLN 55 - H MET 11 lone 1 60 - 2 - Peak 4596 from nnoeabs.peaks (6.83, 8.49, 121.74 ppm; 6.04 A): 1 out of 1 assignment used, quality = 0.84: QD TYR 32 + H LYS 31 OK 84 93 - 90 - 4596/4.7=42, 4597/3.9=33...(14) Peak 4602 from nnoeabs.peaks (0.27, 8.49, 121.74 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.84: QG2 VAL 50 + H LYS 31 OK 84 96 - 88 - 5045=33, 4.3/6067=16...(20) Peak 4607 from nnoeabs.peaks (1.94, 8.68, 124.25 ppm; 4.81 A): 2 out of 15 assignments used, quality = 0.95: QE MET 48 + H TYR 32 OK 78 96 - 82 - 4921=30, 4925/4.4=20...(13) HB2 GLU 33 + H TYR 32 OK 76 100 - 76 - 4.1/142=29, 4640/3.0=19...(14) HG3 GLU 49 - H TYR 32 OK 21 90 - 24 - 2475/4.6=9, 5.0/970=8...(5) HB VAL 20 - H TYR 32 OK 20 100 - 20 - 4605/4.4=6, 4617/4.0=5...(5) HB2 LEU 76 - H TYR 32 OK 17 100 - 17 - 4605/4.4=3, 4612/4.0=3...(7) HB2 GLU 51 - H TYR 32 OK 14 71 - 19 - 5065/4609=4, 2510/4.1=2...(10) HD2 LYS 78 - H TYR 32 OK 10 78 - 13 - 3341/4.1=3, 3344/4.1=2...(4) HB VAL 47 - H TYR 32 lone 9 96 - 9 - 657/4.6=2, 4612/4.0=2...(4) HB3 GLU 22 - H TYR 32 lone 6 100 - 6 - 657/4.6=1 HG3 PRO 84 - H TYR 32 lone 6 99 - 6 - HB2 GLU 77 - H TYR 32 lone 5 90 - 6 - 657/4.6=2 HB2 GLN 58 - H TYR 32 lone 4 87 - 5 - 657/4.6=1 HG2 PRO 19 - H TYR 32 lone 4 89 - 5 - 4605/4.4=1 HG3 PRO 81 - H TYR 32 lone 2 76 - 3 - HB3 PRO 81 - H TYR 32 lone 2 65 - 3 - Peak 4609 from nnoeabs.peaks (0.27, 8.68, 124.25 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.93: QG2 VAL 50 + H TYR 32 OK 93 96 - 97 - 5002/3.0=43, 4602/4.7=35...(17) Peak 4639 from nnoeabs.peaks (8.06, 9.44, 124.37 ppm; 5.48 A): 2 out of 2 assignments used, quality = 0.91: H GLU 51 + H GLU 33 OK 88 99 - 89 - 3.6/6062=42, 5054/3.6=39...(13) H THR 83 + H GLU 33 OK 23 89 - 26 - 6063/3.6=6, 3.6/2038=5...(7) Peak 4644 from nnoeabs.peaks (5.63, 9.44, 124.37 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.72: HA MET 48 + H GLU 33 OK 72 90 - 80 - 4698/4.6=18, 3957=16...(19) Peak 4646 from nnoeabs.peaks (1.31, 9.44, 124.37 ppm; 4.43 A): 3 out of 8 assignments used, quality = 0.94: HB VAL 50 + H GLU 33 OK 86 97 - 89 - 2.1/4649=36, 3.0/6062=35...(12) HG3 LYS 31 + H GLU 33 OK 42 93 - 45 - 3901/4.6=20, 6034/5.1=9...(10) HB3 LYS 68 + H GLU 33 OK 27 81 - 33 - 2.9/4647=6, 4.9/659=5...(10) HB2 LYS 26 - H GLU 33 OK 26 100 - 26 - 4609/4.6=5, 4610/3.6=5...(8) QB ALA 60 - H GLU 33 OK 11 100 - 11 - 5344/980=5 HD3 LYS 44 - H GLU 33 OK 11 76 - 14 - ~4650=2, 3.7/2050=2...(6) HG3 ARG 45 - H GLU 33 lone 7 100 - 7 - QB ALA 86 - H GLU 33 lone 2 65 - 3 - Peak 4647 from nnoeabs.peaks (0.81, 9.44, 124.37 ppm; 5.30 A): 3 out of 8 assignments used, quality = 0.97: QG2 ILE 35 + H GLU 33 OK 81 97 - 84 - 4714=21, 3.1/4717=19...(22) HG3 LYS 68 + H GLU 33 OK 65 97 - 67 - 5527/4.6=13, 4620/4.7=11...(22) QG1 VAL 47 + H GLU 33 OK 55 98 - 56 - 4.3/980=13, 4654/4.1=7...(24) QG2 VAL 47 - H GLU 33 OK 26 63 - 42 - 4.3/980=13, 4654/4.1=6...(13) QD1 LEU 23 - H GLU 33 OK 22 71 - 31 - 4481/4649=11, 4611/4.6=5...(5) QD2 LEU 79 - H GLU 33 OK 13 63 - 20 - 5873/4.6=6, 4616/4.7=3 QD2 LEU 73 - H GLU 33 OK 12 65 - 19 - 5708/4.6=3, 4654/4.1=3...(6) QD2 LEU 85 - H GLU 33 lone 6 73 - 8 - Peak 4648 from nnoeabs.peaks (0.67, 9.44, 124.37 ppm; 5.45 A): 3 out of 3 assignments used, quality = 0.95: QD1 ILE 35 + H GLU 33 OK 70 81 - 87 - 4653/4.1=22, 4717=19...(19) QG1 VAL 50 + H GLU 33 OK 69 73 - 94 - 2.1/4649=47, 3.2/6062=44...(16) QD2 LEU 12 + H GLU 33 OK 48 97 - 49 - 4653/4.1=11, 6149/4.6=7...(20) Peak 4649 from nnoeabs.peaks (0.26, 9.44, 124.37 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.89: QG2 VAL 50 + H GLU 33 OK 89 100 - 89 - 3.2/6062=35, 5002/3.6=32...(14) Peak 4681 from nnoeabs.peaks (0.83, 8.79, 126.77 ppm; 5.02 A): 2 out of 8 assignments used, quality = 0.95: QG2 ILE 35 + H LEU 34 OK 92 100 - 92 - 4707/3.0=38, 2124/4.6=33...(20) QG1 VAL 47 + H LEU 34 OK 43 99 - 43 - 5979/4.6=16, 4654/4.2=7...(13) HG3 LYS 68 - H LEU 34 OK 32 68 - 47 - 3.7/152=8, 4654/4.2=8...(15) QG2 VAL 47 - H LEU 34 OK 29 96 - 31 - 5979/4.6=8, 4654/4.2=5...(8) QD2 LEU 73 - H LEU 34 OK 12 97 - 12 - 4654/4.2=2, 671/4.6=2 HD2 LYS 26 - H LEU 34 OK 11 81 - 14 - 1723/4.7=3, 3.0/667=2...(5) QD2 LEU 85 - H LEU 34 lone 7 99 - 7 - QD2 LEU 87 - H LEU 34 lone 5 92 - 5 - Peak 4698 from nnoeabs.peaks (5.62, 8.79, 126.77 ppm; 5.66 A): 1 out of 1 assignment used, quality = 0.95: HA MET 48 + H LEU 34 OK 95 97 - 98 - 4876/3.0=48, 4704/4.6=41...(18) Peak 4701 from nnoeabs.peaks (9.25, 8.98, 126.94 ppm; 5.74 A): 1 out of 1 assignment used, quality = 0.77: H MET 48 + H ILE 35 OK 77 81 - 95 - 3.0/4704=49, 4.6/4927=35...(14) Peak 4702 from nnoeabs.peaks (9.45, 8.98, 126.94 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.88: H GLU 49 + H ILE 35 OK 73 81 - 90 - 4927=35, 3.6/4704=34...(20) H GLU 33 + H ILE 35 OK 56 97 - 58 - 4644/4704=12, 148/4.6=12...(11) Peak 4703 from nnoeabs.peaks (8.63, 8.98, 126.94 ppm; 5.17 A): 2 out of 2 assignments used, quality = 0.96: H VAL 47 + H ILE 35 OK 90 99 - 91 - 5980=37, 4.0/5977=28...(15) H GLN 58 + H ILE 35 OK 62 97 - 64 - 4713/3.9=12, 4769/4.7=11...(16) Peak 4704 from nnoeabs.peaks (5.62, 8.98, 126.94 ppm; 3.47 A): 1 out of 1 assignment used, quality = 0.91: HA MET 48 + H ILE 35 OK 91 99 - 92 - 4904=42, 4876/3.6=23...(21) Peak 4735 from nnoeabs.peaks (2.35, 8.98, 126.94 ppm; 5.55 A): 1 out of 1 assignment used, quality = 0.94: HG3 MET 48 + H ILE 35 OK 94 99 - 95 - 4918=47, 4.0/4704=43...(13) Peak 4750 from nnoeabs.peaks (1.05, 7.56, 112.17 ppm; 4.21 A): 5 out of 8 assignments used, quality = 0.91: QD2 LEU 34 + H SER 36 OK 81 100 - 81 - 4.0/4753=24, 2.1/4688=22...(13) HG2 LYS 56 + H SER 36 OK 26 96 - 27 - 159/4.7=5, 4768/2.9=5...(9) QG2 VAL 66 + H SER 36 OK 24 93 - 25 - 2.1/165=7, 4768/2.9=5...(7) QG2 THR 38 + H SER 36 OK 11 73 - 15 - 4768/2.9=4, 4758/4.0=3...(5) QG2 VAL 66 + HE22 GLN 55 OK 11 32 - 33 - 5470/1.7=7, 5468=5...(10) QD2 LEU 34 - HE22 GLN 55 poor 7 38 - 19 - 4684=4, 2.1/4694=4...(6) HG2 LYS 56 - HE22 GLN 55 lone 2 34 - 6 - ~5202=2 QG2 THR 38 - HE22 GLN 55 lone 0 23 - 2 - Peak 4752 from nnoeabs.peaks (1.52, 7.56, 112.17 ppm; 3.63 A): 5 out of 32 assignments used, quality = 0.81: HG LEU 34 + H SER 36 OK 62 99 - 63 - 2.1/4688=18, 4.3/4753=16...(9) HB3 LYS 44 + H SER 36 OK 24 87 - 28 - 2266=7, 3.0/2246=5...(8) HG3 ARG 27 + H SER 36 OK 13 100 - 13 - 3.0/678=4, 1797/4.0=4, ~2155=2 HD2 LYS 56 + H SER 36 OK 12 98 - 12 - 3.0/4750=4, ~4768=2, 158/4.7=1 HG2 GLU 37 + H SER 36 OK 12 81 - 14 - 4.9/974=7, 3.0/163=2, 2185/4.4=1 HB2 LYS 56 - H SER 36 poor 10 78 - 13 - 2.9/4750=4, ~4768=2...(4) QB ALA 71 - H SER 36 lone 7 100 - 7 - 5661/4.4=2 QB ALA 71 - HE22 GLN 55 poor 7 38 - 18 - 5637/1.7=7, 3.7/5685=2...(6) HD2 LYS 17 - H SER 36 lone 7 93 - 7 - 3.0/4688=3, 158/4.7=1 HD3 LYS 17 - H SER 36 lone 7 93 - 7 - 3.0/4688=3, 158/4.7=1 HB3 LYS 26 - H SER 36 lone 6 100 - 6 - HB2 LEU 85 - H SER 36 lone 6 97 - 6 - 4.0/974=3 HD3 LYS 64 - H SER 36 lone 6 100 - 6 - HB2 ARG 45 - H SER 36 lone 6 93 - 6 - 6021/3.6=2, 3.0/162=1 HG LEU 34 - HE22 GLN 55 poor 5 36 - 14 - 4694=3, 2.1/4684=3...(4) HB3 LEU 87 - H SER 36 lone 3 98 - 3 - QB ALA 72 - HE22 GLN 55 poor 2 17 - 15 - 5697/1.7=3, 2.9/5685=3...(7) HG3 ARG 27 - HE22 GLN 55 lone 2 38 - 6 - ~4539=1 HB2 LYS 56 - HE22 GLN 55 lone 2 25 - 8 - 5223/5.7=3, 5167/6.8=1 HD2 LYS 56 - HE22 GLN 55 lone 2 36 - 5 - ~5202=1, ~5208=1 HG LEU 30 - H SER 36 lone 1 89 - 1 - QB ALA 72 - H SER 36 lone 1 57 - 2 - HB3 LYS 26 - HE22 GLN 55 lone 1 38 - 3 - HD2 LYS 17 - HE22 GLN 55 lone 1 32 - 3 - HD3 LYS 17 - HE22 GLN 55 lone 1 32 - 3 - HG LEU 30 - HE22 GLN 55 lone 1 30 - 4 - ~5203=2 HG2 GLU 37 - HE22 GLN 55 lone 1 26 - 4 - HD3 LYS 64 - HE22 GLN 55 lone 1 38 - 2 - HB2 LEU 85 - HE22 GLN 55 lone 1 35 - 2 - HB3 LEU 87 - HE22 GLN 55 lone 1 36 - 2 - HB3 LYS 44 - HE22 GLN 55 lone 0 29 - 2 - HB2 ARG 45 - HE22 GLN 55 lone 0 32 - 1 - Peak 4753 from nnoeabs.peaks (5.00, 7.56, 112.17 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.47: HA LEU 34 + H SER 36 OK 47 63 - 75 - 3.6/161=33, 4707/4.4=17...(11) HA LEU 34 - HE22 GLN 55 poor 3 19 - 18 - 6060=3, 3.6/973=3...(7) Peak 4754 from nnoeabs.peaks (1.91, 7.56, 112.17 ppm; 3.10 A): 4 out of 18 assignments used, quality = 0.65: HB VAL 47 + H SER 36 OK 45 83 - 54 - 5970=13, 4.0/4769=10...(10) QE MET 48 + H SER 36 OK 19 83 - 23 - 4919/4.7=8, 5.3/4905=4...(7) HG3 GLU 49 + H SER 36 OK 12 90 - 13 - 4981/4.4=3, 4982/167=2...(5) HB3 GLN 58 + H SER 36 OK 12 83 - 14 - 4.0/4769=5, 5287/4.4=4...(4) HG3 PRO 81 - H SER 36 lone 3 98 - 3 - HD2 LYS 78 - HE22 GLN 55 lone 3 35 - 9 - ~5210=4, ~5832=3 QE MET 48 - HE22 GLN 55 lone 2 27 - 9 - 4925/1.7=3, 5.3/4905=1 HD2 LYS 78 - H SER 36 lone 2 97 - 2 - HB VAL 47 - HE22 GLN 55 lone 1 27 - 5 - 5970=1 HB2 MET 11 - H SER 36 lone 1 89 - 1 - HB3 MET 11 - H SER 36 lone 1 85 - 1 - HB VAL 20 - HE22 GLN 55 lone 1 20 - 5 - ~4409=2, ~4407=2 HG3 GLU 49 - HE22 GLN 55 lone 1 31 - 3 - HB VAL 20 - H SER 36 lone 1 65 - 1 - HB2 MET 11 - HE22 GLN 55 lone 1 30 - 3 - ~4250=1, ~4249=1 HB3 MET 11 - HE22 GLN 55 lone 1 28 - 3 - ~4250=1, ~4249=1 HG3 PRO 81 - HE22 GLN 55 lone 1 36 - 2 - HB3 GLN 58 - HE22 GLN 55 lone 0 27 - 1 - Peak 4769 from nnoeabs.peaks (8.64, 7.56, 112.17 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.71: H VAL 47 + H SER 36 OK 59 96 - 62 - 5969=20, 4.0/5970=12...(12) H GLN 58 + H SER 36 OK 30 100 - 30 - 5969=5, 4713/4.4=4...(10) H VAL 47 - HE22 GLN 55 lone 2 34 - 6 - 4.0/5970=1 H GLN 58 - HE22 GLN 55 lone 1 38 - 3 - Peak 4780 from nnoeabs.peaks (1.09, 8.32, 125.04 ppm; 4.45 A): 6 out of 6 assignments used, quality = 0.82: QD2 LEU 34 + H GLU 37 OK 44 65 - 67 - 6195/2.9=17, ~6196=15...(12) QG2 THR 38 + H GLU 37 OK 36 99 - 36 - 4.0/172=24, 4764/4.5=5...(5) QG1 VAL 66 + H GLU 37 OK 20 60 - 33 - 4764/4.5=6, 2.1/2176=5...(11) HG2 LYS 56 + H GLU 37 OK 19 83 - 23 - 4758/4.5=5, 4764/4.5=4...(8) QG2 THR 13 + H GLU 37 OK 13 92 - 14 - 3.2/4286=5, 4764/4.5=2...(4) HG3 LYS 14 + H GLU 37 OK 12 97 - 12 - 4764/4.5=6, 4758/4.5=4 Peak 4781 from nnoeabs.peaks (1.21, 8.48, 116.68 ppm; 4.90 A): 3 out of 8 assignments used, quality = 0.73: QD1 LEU 34 + H THR 38 OK 66 100 - 67 - 6196/3.6=24...(12) HG3 LYS 26 + H THR 38 OK 12 99 - 13 - 2.9/4782=3, 2.9/176=2 HG2 LYS 17 + H THR 38 OK 10 65 - 15 - 6196/3.6=4, 4691/6058=2...(4) HG13 ILE 35 - H THR 38 poor 10 87 - 11 - 3.0/175=3, 4.2/4784=2 HD2 LYS 68 - H THR 38 lone 7 93 - 7 - 4819/6058=2 HD3 LYS 68 - H THR 38 lone 6 92 - 7 - 4819/6058=2 HG2 LYS 14 - H THR 38 lone 6 97 - 6 - 1.8/688=1 QG2 THR 83 - H THR 38 lone 3 100 - 3 - Peak 4782 from nnoeabs.peaks (1.32, 8.48, 116.68 ppm; 5.29 A): 5 out of 8 assignments used, quality = 0.87: HG3 LYS 31 + H THR 38 OK 61 83 - 74 - 1.8/1948=18, 3.0/1928=16...(14) HG3 ARG 45 + H THR 38 OK 39 100 - 39 - 2.9/6180=24, 3.7/4784=10...(4) HD3 LYS 44 + H THR 38 OK 21 60 - 36 - 1.8/4802=14, 4.8/4784=10...(6) HB VAL 50 + H THR 38 OK 18 100 - 18 - 2.1/5045=9, 4.5/5087=3 HB2 LYS 26 + H THR 38 OK 14 97 - 15 - 2.9/4781=4, 1.8/176=2 QB ALA 60 - H THR 38 lone 8 97 - 9 - 2.9/172=2, 2778/4.6=1 HB3 LYS 68 - H THR 38 lone 5 65 - 8 - 3.5/4781=2, 3.5/4781=2 QB ALA 86 - H THR 38 lone 2 81 - 2 - Peak 4783 from nnoeabs.peaks (1.43, 8.48, 116.68 ppm; 4.35 A): 5 out of 8 assignments used, quality = 0.91: HG2 LYS 31 + H THR 38 OK 55 85 - 65 - 1948=15, 1.8/1958=14...(14) HB3 LEU 34 + H THR 38 OK 45 100 - 46 - 3.1/4781=14, 3.1/688=10...(9) HG2 ARG 27 + H THR 38 OK 33 98 - 34 - 1.8/176=5, 2.9/177=4...(14) HD2 LYS 44 + H THR 38 OK 29 99 - 29 - 4802=8, 4.8/4784=7...(6) HB3 ARG 45 + H THR 38 OK 20 65 - 30 - 1.8/6180=17, 3.0/4784=8...(4) HB3 LYS 64 - H THR 38 lone 8 93 - 9 - HG2 LYS 65 - H THR 38 lone 4 85 - 5 - HD2 LYS 64 - H THR 38 lone 3 60 - 5 - 6016/6180=1 Peak 4784 from nnoeabs.peaks (4.33, 8.48, 116.68 ppm; 4.65 A): 3 out of 5 assignments used, quality = 0.51: HA LYS 44 + H THR 38 OK 27 99 - 27 - 4.8/4802=7, 4804/4.6=6...(7) HA ARG 45 + H THR 38 OK 20 73 - 28 - 3.0/6180=18, 3.7/4782=6 HA THR 13 + H THR 38 OK 16 100 - 16 - 4286/4.6=5, 3.2/2202=3...(5) HA ILE 35 - H THR 38 lone 6 63 - 9 - 3.0/175=3, 4.2/4781=2 HA MET 11 - H THR 38 lone 6 96 - 6 - Peak 4790 from nnoeabs.peaks (7.98, 8.38, 108.25 ppm; 5.73 A): 0 out of 2 assignments used, low quality = 0.28: H LYS 68 - H GLY 40 OK 17 100 - 16 - 1050/3.5=8, 1050/3.0=2...(4) H ASP 43 - H GLY 40 OK 13 99 - 14 - 4.6/4791=10 Peak 4791 from nnoeabs.peaks (7.58, 8.38, 108.25 ppm; 6.06 A): 2 out of 5 assignments used, quality = 0.55: H LYS 44 + H GLY 40 OK 34 97 - 35 - 4.6/4790=14, 3.0/4804=12...(5) H VAL 20 + H GLY 40 OK 32 96 - 33 - 3.5/4147=8, 3.0/4149=7...(8) H SER 36 - H GLY 40 lone 8 83 - 9 - 677/3.0=3, ~2154=1, 4.0/693=1 H LYS 17 - H GLY 40 lone 7 90 - 7 - HD21 ASN 63 - H GLY 40 lone 6 100 - 6 - Peak 4793 from nnoeabs.peaks (3.75, 7.57, 121.44 ppm; 5.55 A): 3 out of 3 assignments used, quality = 0.79: HB2 SER 36 + H LYS 44 OK 57 100 - 57 - 2156=12, 1.8/2160=10...(14) HA LYS 65 + H LYS 44 OK 39 89 - 43 - 6166/5.8=8, 4175/4.6=7...(15) HA2 GLY 40 + H LYS 44 OK 22 95 - 23 - 3.0/4791=12, ~4804=7, 6166/5.8=2 Peak 4794 from nnoeabs.peaks (4.14, 7.57, 121.44 ppm; 5.46 A): 0 out of 4 assignments used, low quality = 0.36: HA MET 21 - H LYS 44 OK 36 100 - 36 - 4.0/4423=8, 4.0/192=7...(8) HA ALA 74 - H LYS 44 lone 7 99 - 7 - HB THR 83 - H LYS 44 lone 4 89 - 5 - HB2 SER 62 - H LYS 44 lone 4 76 - 5 - 5390/4.0=2 Peak 4823 from nnoeabs.peaks (1.21, 8.63, 119.94 ppm; 3.41 A): 7 out of 16 assignments used, quality = 0.87: QD1 LEU 34 + H VAL 47 OK 61 97 - 64 - 4687=25, 4691/3.6=16...(13) HG13 ILE 35 + H VAL 47 OK 29 73 - 39 - 4.5/5980=10, 3.0/4713=6...(11) HG3 LYS 26 + H VAL 47 OK 17 100 - 17 - 4840/3.9=3, 4822/4.2=2...(8) HD2 LYS 68 + H VAL 47 OK 16 83 - 19 - 3.0/4824=2, 4819/3.6=2...(8) HD3 LYS 68 + H VAL 47 OK 15 81 - 19 - 3.0/4824=2, 4819/3.6=2...(8) HG13 ILE 35 + H GLN 58 OK 12 27 - 42 - ~4728=9, 6164/4.9=5...(13) QD1 LEU 34 + H GLN 58 OK 10 41 - 25 - 4687=8, 2.1/4682=4...(7) HG3 LYS 44 - H VAL 47 poor 10 63 - 15 - 4.7/5969=3, 4634/4.8=3...(6) HG2 LYS 14 - H VAL 47 lone 7 100 - 7 - 4840/3.9=1, 1.8/4828=1 QG2 THR 83 - H VAL 47 lone 4 99 - 4 - HD2 LYS 68 - H GLN 58 lone 2 32 - 6 - ~5270=1 HD3 LYS 68 - H GLN 58 lone 2 31 - 6 - ~5270=1 HG3 LYS 26 - H GLN 58 lone 2 45 - 3 - QG2 THR 83 - H GLN 58 lone 1 43 - 2 - HG2 LYS 14 - H GLN 58 lone 1 45 - 2 - HG3 LYS 44 - H GLN 58 lone 1 22 - 3 - Peak 4824 from nnoeabs.peaks (1.35, 8.63, 119.94 ppm; 4.35 A): 6 out of 22 assignments used, quality = 0.85: QB ALA 67 + H VAL 47 OK 58 85 - 68 - 5503/3.0=23, 5493/4.7=21...(10) HG2 LYS 68 + H VAL 47 OK 27 90 - 30 - 3.0/4823=3, 4844/4.7=3...(10) HB2 LYS 64 + H VAL 47 OK 23 97 - 23 - 4821/4.2=9, 6084/4.2=8...(5) HG2 LYS 44 + H VAL 47 OK 17 87 - 19 - 4.7/5969=5, 4821/4.2=4...(5) HB3 LYS 56 + H VAL 47 OK 15 68 - 21 - 4.6/989=4, 2.9/4828=4...(8) HB3 LYS 56 + H GLN 58 OK 12 25 - 47 - 4.6/989=13, 2630/3.6=7...(16) QB ALA 67 - H GLN 58 poor 7 33 - 21 - 5493/198=4, 5316/4.7=4...(6) HG2 LYS 68 - H GLN 58 poor 7 36 - 18 - ~5270=3, 5283/4.9=2...(6) HB VAL 50 - H GLN 58 poor 6 24 - 26 - ~5035=13, ~5271=6...(5) HB3 LEU 12 - H VAL 47 lone 5 73 - 7 - 6084/4.2=1, 1179/4733=1 HB2 LYS 64 - H GLN 58 poor 5 42 - 11 - 5316/4.7=2, ~5271=1 HB VAL 50 - H VAL 47 lone 4 65 - 7 - 5006/3.9=2, 4829/3.0=1 QB ALA 86 - H VAL 47 lone 4 97 - 4 - HG2 LYS 44 - H GLN 58 poor 4 34 - 10 - 5283/4.9=1, 5277/4.9=1 HB3 LEU 12 - H GLN 58 poor 3 27 - 13 - 5283/4.9=2, 5277/4.9=2...(5) HG3 LYS 91 - H VAL 47 lone 3 100 - 3 - HG2 LYS 91 - H VAL 47 lone 3 100 - 3 - QB ALA 89 - H VAL 47 lone 3 100 - 3 - HG2 LYS 91 - H GLN 58 lone 2 45 - 4 - 5316/4.7=1 HG3 LYS 91 - H GLN 58 lone 2 45 - 4 - 5316/4.7=1 QB ALA 89 - H GLN 58 lone 1 45 - 3 - QB ALA 86 - H GLN 58 lone 1 41 - 3 - Peak 4825 from nnoeabs.peaks (3.57, 8.63, 119.94 ppm; 4.25 A): 3 out of 4 assignments used, quality = 0.84: HB3 SER 36 + H VAL 47 OK 78 100 - 78 - 4771=29, 4832/4.0=24...(11) HB3 SER 36 + H GLN 58 OK 18 45 - 39 - 4771=11, 4.0/4769=9...(10) HD3 ARG 27 + H VAL 47 OK 10 90 - 11 - 4832/4.0=3, 4834/3.9=2 HD3 ARG 27 - H GLN 58 lone 3 36 - 9 - 1812/4.7=2 Peak 4826 from nnoeabs.peaks (3.75, 8.63, 119.94 ppm; 4.86 A): 3 out of 6 assignments used, quality = 0.89: HB2 SER 36 + H VAL 47 OK 84 100 - 84 - 1.8/4825=33, 4770=26...(12) HB2 SER 36 + H GLN 58 OK 22 45 - 48 - 4770=14, 1.8/4771=12...(11) HA LYS 65 + H VAL 47 OK 16 89 - 18 - 4831/4.0=4, 4836/3.9=3...(5) HA2 GLY 40 - H VAL 47 lone 8 95 - 8 - 4831/4.0=2, 4836/3.9=1 HA LYS 65 - H GLN 58 lone 3 35 - 8 - HA2 GLY 40 - H GLN 58 lone 1 39 - 3 - Peak 4827 from nnoeabs.peaks (1.52, 8.63, 119.94 ppm; 4.69 A): 6 out of 32 assignments used, quality = 0.92: HG LEU 34 + H VAL 47 OK 57 100 - 57 - 2.1/4687=30, 2.1/4682=17...(6) QB ALA 71 + H GLN 58 OK 39 45 - 86 - 5639/3.0=41, 5623/4.7=30...(16) QB ALA 71 + H VAL 47 OK 34 100 - 34 - 2.1/5641=6, 5623/263=6...(7) HB3 LYS 26 + H VAL 47 OK 26 100 - 26 - 4516/4.8=5, 2.9/4823=4...(9) HB2 LYS 56 + H VAL 47 OK 24 89 - 27 - 4.6/989=5, 2.9/4828=5...(8) HB2 LYS 56 + H GLN 58 OK 21 35 - 60 - 4.6/989=15, 2620/3.6=10...(19) HD3 LYS 64 - H VAL 47 OK 21 99 - 21 - 5447/4.8=8, 3.8/4824=3...(4) HG LEU 34 - H GLN 58 OK 19 45 - 42 - 2.1/4682=11, 2.1/4687=10...(11) HD2 LYS 56 - H VAL 47 OK 19 93 - 20 - 3.0/4828=5, 3.4/4824=2...(6) HD2 LYS 56 - H GLN 58 OK 17 38 - 45 - 2660/3.6=5, 3.0/4002=5...(18) HG2 GLU 37 - H VAL 47 OK 15 90 - 17 - 3.8/5268=3, 4843/4.7=3...(5) HD3 LYS 17 - H VAL 47 OK 14 98 - 14 - 3.0/4687=5, 4843/4.7=2 HD2 LYS 17 - H VAL 47 OK 14 98 - 14 - 3.0/4687=5, 4843/4.7=2 HG3 ARG 27 - H VAL 47 OK 13 100 - 13 - 3.0/4825=3, 1797/4825=2 HB3 LYS 44 - H VAL 47 OK 13 76 - 17 - 4.0/5969=6, 2.9/4824=3...(4) HD2 LYS 17 - H GLN 58 poor 9 42 - 21 - 5315/4.7=3, 5269/3.0=2...(9) HD3 LYS 17 - H GLN 58 poor 9 42 - 21 - 5315/4.7=3, 5269/3.0=2...(9) HG3 ARG 27 - H GLN 58 poor 8 45 - 18 - 1796/4.7=3, 4670/4.5=2...(7) HB2 LEU 85 - H VAL 47 lone 7 100 - 7 - QB ALA 72 - H GLN 58 poor 7 26 - 27 - 5696/4.5=10, ~5272=4...(8) HB2 ARG 45 - H VAL 47 lone 7 98 - 7 - ~4829=3 HD3 LYS 64 - H GLN 58 poor 7 44 - 16 - 5269/3.0=2, ~5271=1...(5) HB3 LYS 26 - H GLN 58 poor 6 45 - 13 - 5315/4.7=2, 5269/3.0=1 QB ALA 72 - H VAL 47 lone 6 71 - 8 - 5696/4648=1, 4742/4.8=1 HB2 LEU 85 - H GLN 58 poor 5 44 - 11 - 5269/3.0=1, 5281/4.9=1...(4) HG2 GLU 37 - H GLN 58 poor 5 36 - 13 - 3.8/5268=2, 4776/4682=1 HB3 LEU 87 - H VAL 47 lone 4 93 - 5 - HG LEU 30 - H VAL 47 lone 3 78 - 4 - HB3 LYS 44 - H GLN 58 poor 3 28 - 10 - 253/4.6=1 HB2 ARG 45 - H GLN 58 lone 3 42 - 7 - HB3 LEU 87 - H GLN 58 lone 3 38 - 7 - HG LEU 30 - H GLN 58 lone 2 30 - 7 - 253/4.6=1 Peak 4828 from nnoeabs.peaks (1.08, 8.63, 119.94 ppm; 5.00 A): 4 out of 10 assignments used, quality = 0.74: QD2 LEU 34 + H VAL 47 OK 54 78 - 70 - 2.1/4687=31, 4686/4.8=18...(9) HG2 LYS 56 + H VAL 47 OK 21 92 - 23 - 4635/4.8=3, 2.9/4824=3...(10) HG2 LYS 56 + H GLN 58 OK 17 37 - 45 - 2640/3.6=12, 3994/4.6=8...(12) QD2 LEU 34 + H GLN 58 OK 12 30 - 41 - 4682=11, 2.1/4687=10...(10) HG3 LYS 14 - H VAL 47 lone 9 90 - 10 - 4764/4825=3, 1.8/4823=2...(4) QG2 THR 38 - H VAL 47 lone 9 100 - 9 - 4764/4825=2, 4758/4826=2 QG2 THR 13 - H VAL 47 lone 6 83 - 7 - 4280/3.9=2, 4841/3.9=1 QG2 THR 38 - H GLN 58 lone 3 45 - 6 - 251/4.6=1 HG3 LYS 14 - H GLN 58 lone 1 36 - 4 - QG2 THR 13 - H GLN 58 lone 1 32 - 3 - Peak 4843 from nnoeabs.peaks (1.52, 9.23, 125.43 ppm; 4.12 A): 4 out of 16 assignments used, quality = 0.92: HG LEU 34 + H MET 48 OK 66 100 - 66 - ~4692=14, 4695/3.0=14...(14) QB ALA 71 + H MET 48 OK 54 100 - 54 - 5623/5337=16...(15) HG2 GLU 37 + H MET 48 OK 33 90 - 36 - 1.8/2416=11, ~2417=7...(11) HB3 LYS 26 + H MET 48 OK 27 100 - 27 - 2.9/4845=3, 4898/4.0=2...(14) HD3 LYS 64 - H MET 48 OK 23 99 - 23 - 5439/6.2=4, 3.8/4844=3...(9) HD2 LYS 17 - H MET 48 OK 22 98 - 23 - ~4692=3, 3.0/4845=2...(12) HD3 LYS 17 - H MET 48 OK 22 98 - 23 - ~4692=3, 3.0/4845=2...(12) HB2 LYS 56 - H MET 48 OK 21 89 - 24 - 1.8/4844=3, 4846/3.0=2...(11) HD2 LYS 56 - H MET 48 OK 16 93 - 18 - 3.4/4844=2, 1.8/4844=2...(8) HG3 ARG 27 - H MET 48 OK 14 100 - 14 - 2.9/717=2, 4898/4.0=1...(4) HB3 LYS 44 - H MET 48 poor 10 76 - 13 - 2.9/4844=2, 1.8/716=1...(5) HB2 LEU 85 - H MET 48 lone 9 100 - 9 - 4.0/4901=1 QB ALA 72 - H MET 48 poor 7 71 - 10 - 2.9/4901=2, 5315/5337=1 HB2 ARG 45 - H MET 48 lone 5 98 - 5 - HB3 LEU 87 - H MET 48 lone 5 93 - 5 - HG LEU 30 - H MET 48 lone 3 78 - 4 - Peak 4844 from nnoeabs.peaks (1.37, 9.23, 125.43 ppm; 3.35 A): 6 out of 11 assignments used, quality = 0.92: QB ALA 67 + H MET 48 OK 76 100 - 76 - 5493=35, 5503/3.5=15...(15) HG2 LYS 68 + H MET 48 OK 39 100 - 40 - 3.9/4871=6, 1.8/202=5...(16) HB2 LYS 64 + H MET 48 OK 19 97 - 20 - 4897/4.0=3, 4860/5.1=3...(8) QB ALA 69 + H MET 48 OK 15 96 - 16 - 4.4/4871=6, 3.6/4901=2...(4) HB3 LYS 56 + H MET 48 OK 15 100 - 15 - 4847/3.0=2, 1.8/4843=2...(7) HG2 LYS 44 + H MET 48 OK 11 100 - 11 - 4847/3.0=1, 4897/4.0=1 HB3 LEU 12 - H MET 48 lone 8 100 - 8 - ~4850=2, 4847/3.0=1 HD3 LYS 56 - H MET 48 lone 7 83 - 8 - 1.8/4843=1, 4847/3.0=1 HG2 LYS 91 - H MET 48 lone 4 78 - 5 - HG3 LYS 91 - H MET 48 lone 4 78 - 5 - QB ALA 89 - H MET 48 lone 2 89 - 2 - Peak 4845 from nnoeabs.peaks (1.22, 9.23, 125.43 ppm; 4.51 A): 4 out of 8 assignments used, quality = 0.99: QD1 LEU 34 + H MET 48 OK 85 100 - 85 - 4692/3.0=28, 4673/5.1=17...(20) HG13 ILE 35 + H MET 48 OK 83 95 - 88 - 4727/3.0=28, ~4730=20...(20) HD2 LYS 68 + H MET 48 OK 56 98 - 57 - 5.2/4871=10, 3.0/4844=8...(17) HD3 LYS 68 + H MET 48 OK 55 97 - 57 - 5.2/4871=10, 3.0/4844=8...(17) HG3 LYS 26 - H MET 48 OK 35 97 - 36 - 4848/3.0=4, 3.9/718=3...(16) HG2 LYS 17 - H MET 48 OK 29 78 - 37 - 4692/3.0=8, 4673/5.1=5...(16) QG2 THR 83 - H MET 48 OK 11 100 - 11 - 4.2/4872=3 HG2 LYS 14 - H MET 48 poor 10 92 - 10 - 4840/4.3=1 Peak 4871 from nnoeabs.peaks (3.55, 9.23, 125.43 ppm; 5.61 A): 2 out of 2 assignments used, quality = 0.94: HA LYS 68 + H MET 48 OK 87 97 - 90 - 4877/4.0=36, 4878/4.0=31...(17) HB3 SER 36 + H MET 48 OK 51 78 - 65 - 4832/4.4=28, 4834/4.3=20...(9) Peak 4872 from nnoeabs.peaks (3.80, 9.23, 125.43 ppm; 5.45 A): 1 out of 4 assignments used, quality = 0.93: HA ALA 67 + H MET 48 OK 93 100 - 93 - 2.1/5493=50, 5494=45...(13) HD2 PRO 84 - H MET 48 OK 21 95 - 22 - 5360/4900=4, 5366/5344=3...(10) HD3 PRO 19 - H MET 48 OK 21 97 - 22 - 3021/5493=5, 4888/5.1=4...(6) HA2 GLY 29 - H MET 48 lone 2 63 - 3 - Peak 4873 from nnoeabs.peaks (4.07, 9.23, 125.43 ppm; 5.26 A): 3 out of 4 assignments used, quality = 0.95: HA2 GLY 59 + H MET 48 OK 85 96 - 89 - 3.0/5337=48, 4.8/4900=34...(11) HA3 GLY 61 + H MET 48 OK 61 100 - 62 - 4.9/5344=30, 2.9/4902=19...(8) HA3 GLY 54 + H MET 48 OK 13 99 - 13 - 5153/5342=3, 5365/5344=2...(5) HA LYS 14 - H MET 48 lone 3 60 - 5 - Peak 4874 from nnoeabs.peaks (4.46, 9.23, 125.43 ppm; 5.60 A): 4 out of 4 assignments used, quality = 0.95: HA3 GLY 59 + H MET 48 OK 82 89 - 93 - 3.0/4903=49, 4.8/4900=38...(11) HA2 GLY 61 + H MET 48 OK 50 76 - 66 - 4.9/5344=33, 2.9/4902=22...(6) HA LYS 17 + H MET 48 OK 24 96 - 24 - 3.9/4845=3, 5274/4899=3...(9) HB THR 13 + H MET 48 OK 19 89 - 22 - 4279/4.3=5, 5501/5493=5...(6) Peak 4899 from nnoeabs.peaks (5.81, 9.23, 125.43 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.72: HA GLN 58 + H MET 48 OK 72 100 - 72 - 3.6/5337=37, 4947/4.6=15...(11) Peak 4900 from nnoeabs.peaks (6.09, 9.23, 125.43 ppm; 3.68 A): 1 out of 1 assignment used, quality = 0.84: HA ALA 60 + H MET 48 OK 84 99 - 84 - 5342=36, 2.1/5344=27...(14) Peak 4901 from nnoeabs.peaks (8.33, 9.23, 125.43 ppm; 5.56 A): 6 out of 6 assignments used, quality = 0.94: H ALA 60 + H MET 48 OK 76 81 - 95 - 3.0/4900=48, 2.9/5344=45...(12) H TYR 70 + H MET 48 OK 42 100 - 42 - 1060/5494=9, 1058/4871=8...(12) H GLU 37 + H MET 48 OK 30 95 - 32 - 4.5/4871=10, 4.9/2416=10...(5) H ALA 72 + H MET 48 OK 19 89 - 22 - 1071/4871=7, 3.7/4843=7...(5) H LEU 85 + H MET 48 OK 12 76 - 16 - 917/4.3=2, 917/4.3=1...(8) H ARG 28 + H MET 48 OK 11 83 - 13 - 4.2/717=2, 4.0/717=1...(4) Peak 4902 from nnoeabs.peaks (8.53, 9.23, 125.43 ppm; 5.73 A): 2 out of 3 assignments used, quality = 0.93: H GLY 61 + H MET 48 OK 91 99 - 91 - 3.6/4900=46, 3.6/5344=43...(11) H LEU 76 + H MET 48 OK 27 90 - 29 - 6051/3.5=8, 5492/5493=3...(11) H ASP 82 - H MET 48 OK 26 93 - 28 - 5924/3.5=11, 5492/5493=3...(8) Peak 4903 from nnoeabs.peaks (8.85, 9.23, 125.43 ppm; 3.45 A): 1 out of 1 assignment used, quality = 0.79: H GLY 59 + H MET 48 OK 79 96 - 82 - 5337=48, 3.6/4899=16...(16) Peak 4927 from nnoeabs.peaks (8.97, 9.43, 121.51 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.91: H ILE 35 + H GLU 49 OK 91 99 - 92 - 4704/3.6=35, 3.6/4931=31...(21) Peak 4928 from nnoeabs.peaks (8.81, 9.43, 121.51 ppm; 5.85 A): 3 out of 3 assignments used, quality = 0.98: H GLY 59 + H GLU 49 OK 74 83 - 89 - 5336/3.0=40, 3.6/4947=37...(11) H PHE 57 + H GLU 49 OK 73 87 - 84 - 5244/3.0=34, 5237/4.6=20...(22) H LEU 34 + H GLU 49 OK 70 73 - 95 - 3.0/4931=48, 4.6/4927=37...(22) Peak 4931 from nnoeabs.peaks (4.97, 9.43, 121.51 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.79: HA LEU 34 + H GLU 49 OK 79 100 - 79 - 4876/3.6=31, 3.6/4927=23...(19) Peak 4932 from nnoeabs.peaks (4.66, 9.43, 121.51 ppm; 5.40 A): 3 out of 6 assignments used, quality = 0.89: HA PHE 57 + H GLU 49 OK 56 100 - 56 - ~5244=22, 4998/4.6=12...(9) HA GLU 33 + H GLU 49 OK 55 76 - 72 - 3.6/148=18, 3.0/2044=18...(14) HA LYS 56 + H GLU 49 OK 47 99 - 48 - 4998/4.6=11, 4948/5.0=11...(11) HA ASN 90 - H GLU 49 lone 8 93 - 8 - 4998/4.6=2, 4948/5.0=1 HA HIS 42 - H GLU 49 lone 3 76 - 3 - HA ASN 24 - H GLU 49 lone 2 63 - 4 - Peak 4947 from nnoeabs.peaks (5.83, 9.43, 121.51 ppm; 5.33 A): 1 out of 1 assignment used, quality = 0.84: HA GLN 58 + H GLU 49 OK 84 87 - 97 - 4946/3.0=44, 5026/4.6=33...(20) Peak 4951 from nnoeabs.peaks (1.52, 9.43, 121.51 ppm; 4.60 A): 3 out of 16 assignments used, quality = 0.96: QB ALA 71 + H GLU 49 OK 77 100 - 77 - 5640/3.0=37, 5624/4.6=21...(17) HG LEU 34 + H GLU 49 OK 75 99 - 76 - 4.3/4931=28, 4695/3.6=18...(19) HB2 LYS 56 + H GLU 49 OK 37 78 - 47 - 3.0/4932=7, 4.6/4928=6...(18) HD2 LYS 56 - H GLU 49 OK 32 98 - 32 - 5.3/4932=5, 3.4/6183=4...(13) HD3 LYS 64 - H GLU 49 OK 29 100 - 29 - 3.8/6183=3, ~4962=3...(12) HB3 LYS 26 - H GLU 49 OK 28 100 - 28 - 2.9/4953=3, 4898/4.7=2...(11) HG2 GLU 37 - H GLU 49 OK 25 81 - 32 - 1.8/3958=7, 2187/4.7=3...(11) HD3 LYS 17 - H GLU 49 OK 25 93 - 27 - 3.0/4700=3, 4846/3.6=2...(12) HD2 LYS 17 - H GLU 49 OK 25 93 - 27 - 3.0/4700=3, 4846/3.6=2...(12) HG3 ARG 27 - H GLU 49 OK 21 100 - 21 - 4536/4.6=3, 3.9/981=2...(8) QB ALA 72 - H GLU 49 OK 15 57 - 27 - 4.2/5625=12, 4957/3.0=3...(7) HB3 LYS 44 - H GLU 49 OK 15 87 - 17 - 2.9/6182=3, 2.9/6183=2...(5) HB2 ARG 45 - H GLU 49 OK 13 93 - 14 - 2.9/6182=3, ~4960=2...(4) HB2 LEU 85 - H GLU 49 OK 13 97 - 14 - 4988/3.7=1, 3.1/4955=1...(4) HG LEU 30 - H GLU 49 OK 11 89 - 12 - 4583/5043=4, 4991/4.6=3 HB3 LEU 87 - H GLU 49 lone 7 98 - 7 - Peak 4953 from nnoeabs.peaks (1.22, 9.43, 121.51 ppm; 4.08 A): 3 out of 8 assignments used, quality = 0.98: HG13 ILE 35 + H GLU 49 OK 82 95 - 87 - 1.8/6182=26, 2.1/4956=22...(21) QD1 LEU 34 + H GLU 49 OK 75 100 - 75 - 4.0/4931=24, 4692/3.6=21...(22) HD2 LYS 68 + H GLU 49 OK 44 98 - 45 - 3.0/4955=6, 3.0/6183=5...(20) HD3 LYS 68 - H GLU 49 OK 43 97 - 45 - 3.0/4955=6, 3.0/6183=5...(19) HG2 LYS 17 - H GLU 49 OK 24 78 - 31 - 4692/3.6=6, 2104/4931=3...(12) HG3 LYS 26 - H GLU 49 OK 22 97 - 23 - 4848/3.6=3, 3.9/207=2...(9) QG2 THR 83 - H GLU 49 lone 5 100 - 5 - HG2 LYS 14 - H GLU 49 lone 4 92 - 5 - Peak 4955 from nnoeabs.peaks (0.82, 9.43, 121.51 ppm; 4.02 A): 3 out of 7 assignments used, quality = 0.98: QG2 ILE 35 + H GLU 49 OK 90 100 - 90 - 4708/3.6=22, 4.0/4927=21...(26) QG1 VAL 47 + H GLU 49 OK 60 100 - 60 - 3956/4.6=14, 4849/3.6=7...(21) HG3 LYS 68 + H GLU 49 OK 49 90 - 54 - 1.8/6183=5, 4853/4.7=5...(22) QG2 VAL 47 - H GLU 49 OK 35 78 - 44 - 4.3/980=12, 2.1/726=5...(16) QD2 LEU 73 - H GLU 49 OK 12 81 - 15 - 3.1/206=2, 4849/3.6=1 QD2 LEU 85 - H GLU 49 poor 9 87 - 10 - 4964/3.7=1, 4961/3.0=1 QD2 LEU 87 - H GLU 49 lone 3 71 - 4 - Peak 4956 from nnoeabs.peaks (0.66, 9.43, 121.51 ppm; 4.39 A): 2 out of 2 assignments used, quality = 0.96: QD1 ILE 35 + H GLU 49 OK 93 97 - 95 - 4729/3.0=30, 2.1/6182=28...(24) QD2 LEU 12 + H GLU 49 OK 43 100 - 43 - 4850/3.6=6, 4978/5.0=6...(14) Peak 4990 from nnoeabs.peaks (0.92, 9.16, 125.16 ppm; 4.93 A): 5 out of 6 assignments used, quality = 0.95: QD2 LEU 23 + H VAL 50 OK 58 99 - 59 - 4480/4.0=33, 5024/4.0=10...(10) QG2 VAL 52 + H VAL 50 OK 51 87 - 58 - 5131/4.0=15, 4.0/984=10...(15) HB3 LEU 30 + H VAL 50 OK 47 76 - 62 - 4582/4.0=26, 5024/4.0=14...(11) QG1 VAL 52 + H VAL 50 OK 41 76 - 54 - 5131/4.0=16, 4.0/984=10...(13) HD3 LYS 26 + H VAL 50 OK 21 76 - 28 - 5023/4.0=5, 5024/4.0=5...(8) QD1 LEU 87 - H VAL 50 poor 8 63 - 13 - 5023/4.0=2, 5024/4.0=2...(5) Peak 4991 from nnoeabs.peaks (1.53, 9.16, 125.16 ppm; 3.72 A): 5 out of 15 assignments used, quality = 0.91: QB ALA 71 + H VAL 50 OK 72 98 - 74 - 5624=26, 5640/3.6=22...(14) HG LEU 30 + H VAL 50 OK 29 97 - 30 - 4583/4.0=14, 3.0/4990=4...(6) HD2 LYS 56 + H VAL 50 OK 27 100 - 27 - 5.3/4998=6, 3.0/4994=5...(10) HB2 LYS 56 + H VAL 50 OK 25 63 - 40 - 4.6/5237=10, 3.0/4998=10...(13) HD3 LYS 64 + H VAL 50 OK 20 100 - 20 - 2.9/730=5, 2882/4.0=4...(5) HG LEU 34 - H VAL 50 OK 19 93 - 20 - 4957/3.6=2, 5.1/5028=2...(7) HB3 LYS 26 - H VAL 50 OK 19 97 - 20 - 1.8/729=4, 1690/4.0=2...(6) HG3 ARG 27 - H VAL 50 OK 18 97 - 19 - 3.0/4995=3, 4536=2...(7) HD2 LYS 17 - H VAL 50 lone 8 83 - 10 - 4957/3.6=1, 4988/4.3=1 HD3 LYS 17 - H VAL 50 lone 8 83 - 10 - 4957/3.6=1, 4988/4.3=1 HB3 LEU 87 - H VAL 50 lone 8 100 - 8 - HB2 LEU 85 - H VAL 50 lone 7 90 - 7 - HB2 ARG 45 - H VAL 50 lone 6 83 - 7 - 2.9/729=1 HB3 LYS 44 - H VAL 50 lone 5 96 - 5 - HG2 GLU 37 - H VAL 50 lone 4 65 - 7 - Peak 4992 from nnoeabs.peaks (2.28, 9.16, 125.16 ppm; 5.04 A): 3 out of 3 assignments used, quality = 0.93: HG3 GLN 58 + H VAL 50 OK 87 98 - 89 - 1.8/4993=41, 4.0/5026=37...(9) HB2 PRO 81 + H VAL 50 OK 30 97 - 31 - 2734/5026=5, 2.3/212=5...(7) HB2 PRO 84 + H VAL 50 OK 21 60 - 35 - 4958/3.6=10, 1.8/212=6...(10) Peak 4993 from nnoeabs.peaks (2.39, 9.16, 125.16 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.89: HG2 GLN 58 + H VAL 50 OK 89 100 - 89 - 4.0/5026=36, 5295/3.6=35...(13) Peak 4994 from nnoeabs.peaks (2.80, 9.16, 125.16 ppm; 4.42 A): 4 out of 4 assignments used, quality = 0.91: HB3 PHE 57 + H VAL 50 OK 69 100 - 69 - 2.5/5027=20, 4.0/5237=17...(10) HE3 LYS 56 + H VAL 50 OK 36 96 - 38 - 6.0/4998=7, 5015/4.0=7...(13) HE2 LYS 56 + H VAL 50 OK 33 90 - 37 - 6.0/4998=7, 5015/4.0=6...(13) HB3 ASP 53 + H VAL 50 OK 32 89 - 36 - 2559=10, 1.8/2555=7...(10) Peak 4995 from nnoeabs.peaks (3.18, 9.16, 125.16 ppm; 5.19 A): 4 out of 6 assignments used, quality = 0.90: HB2 PHE 57 + H VAL 50 OK 76 96 - 79 - 2.5/5027=27, 4.0/5237=22...(9) HD2 ARG 27 + H VAL 50 OK 31 99 - 31 - 5016/4.0=7, 4535=5...(10) HD3 PRO 81 + H VAL 50 OK 25 81 - 31 - 3.0/4992=8, 2.3/212=5...(9) HB2 PHE 80 + H VAL 50 OK 20 100 - 20 - 5016/4.0=5, 2.5/5027=4...(6) HD2 ARG 28 - H VAL 50 lone 9 90 - 10 - 5016/4.0=3, 5654/5624=2 HB3 HIS 42 - H VAL 50 lone 2 71 - 2 - Peak 4996 from nnoeabs.peaks (3.96, 9.16, 125.16 ppm; 5.86 A): 5 out of 7 assignments used, quality = 0.93: HA ALA 71 + H VAL 50 OK 69 100 - 69 - 2.1/5624=35...(9) HA ALA 72 + H VAL 50 OK 61 100 - 61 - 5671/4.0=35, 5670/4.0=22...(8) HA LEU 76 + H VAL 50 OK 20 71 - 28 - 4.0/730=7, 5004/4.0=6...(6) HA GLU 25 + H VAL 50 OK 13 99 - 13 - 5017/4.0=3, 5004/4.0=3 HA PRO 19 + H VAL 50 OK 12 78 - 15 - 5272/5026=3, 5017/4.0=2...(5) HA3 GLY 16 - H VAL 50 lone 8 99 - 8 - 5272/5026=1, 5017/4.0=1 HB3 SER 62 - H VAL 50 lone 3 73 - 4 - Peak 4998 from nnoeabs.peaks (4.67, 9.16, 125.16 ppm; 4.32 A): 3 out of 3 assignments used, quality = 0.83: HA PHE 57 + H VAL 50 OK 56 83 - 68 - 2.9/5237=21, 3.7/5027=16...(12) HA LYS 56 + H VAL 50 OK 55 97 - 57 - 3.6/5237=19, 5074/4.7=11...(15) HA ASN 90 + H VAL 50 OK 12 100 - 12 - 5000/4.0=3, 5074/4.7=2 Peak 5026 from nnoeabs.peaks (5.82, 9.16, 125.16 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.81: HA GLN 58 + H VAL 50 OK 81 99 - 81 - 4946/3.6=27, 5289=24...(15) Peak 5027 from nnoeabs.peaks (7.17, 9.16, 125.16 ppm; 4.89 A): 3 out of 4 assignments used, quality = 0.75: QD PHE 57 + H VAL 50 OK 69 89 - 78 - 5038/4.0=31, 4.4/5237=19...(10) HD2 HIS 15 + H VAL 50 OK 12 99 - 12 - 5038/4.0=4, 5046/4.0=4 H LYS 78 + H VAL 50 OK 10 71 - 14 - 4.0/212=2, 4.0/214=1...(5) QD PHE 80 - H VAL 50 poor 9 60 - 15 - 2.5/4995=4, 4709/4.0=2 Peak 5028 from nnoeabs.peaks (8.81, 9.16, 125.16 ppm; 3.47 A): 4 out of 5 assignments used, quality = 0.86: H PHE 57 + H VAL 50 OK 69 95 - 73 - 5237=25, 5244/3.6=14...(17) H GLY 59 + H VAL 50 OK 34 71 - 48 - 3.6/5026=21, 5336/3.6=15...(9) H LEU 34 + H VAL 50 OK 22 85 - 26 - 4.6/210=6, 148/4.6=5...(8) H GLY 54 + H VAL 50 OK 13 60 - 21 - 232=5, 4.6/2559=3...(6) H ASN 18 - H VAL 50 poor 10 65 - 15 - 5237=3, 5244/3.6=2...(5) Peak 5050 from nnoeabs.peaks (0.92, 8.06, 129.13 ppm; 3.91 A): 5 out of 7 assignments used, quality = 0.92: QG2 VAL 52 + H GLU 51 OK 53 76 - 70 - 4.0/221=22, 5061/3.0=10...(17) HB3 LEU 30 + H GLU 51 OK 48 87 - 55 - 4582/4.3=19, 4.6/6067=15...(11) QG1 VAL 52 + H GLU 51 OK 43 63 - 68 - 4.0/221=22, ~5110=10...(15) QD2 LEU 23 + H GLU 51 OK 37 100 - 37 - 4480/4.3=21, 5024/4.3=7...(5) HD3 LYS 26 + H GLU 51 OK 14 87 - 16 - 5023/4.3=3, 5024/4.3=3...(5) QD1 LEU 87 - H GLU 51 lone 6 76 - 8 - 4.1/5053=2, 5023/4.3=1 QD1 LEU 85 - H GLU 51 lone 3 68 - 4 - Peak 5052 from nnoeabs.peaks (2.82, 8.06, 129.13 ppm; 5.20 A): 3 out of 5 assignments used, quality = 0.97: HE2 LYS 56 + H GLU 51 OK 71 100 - 71 - ~5234=19, 5056/3.0=12...(16) HE3 LYS 56 + H GLU 51 OK 70 98 - 72 - ~5234=19, 5056/3.0=12...(16) HB3 PHE 57 + H GLU 51 OK 66 89 - 75 - ~5085=23, 4.0/5246=17...(12) HB2 ASN 90 - H GLU 51 OK 18 97 - 19 - 3.0/5074=5, 5056/3.0=3...(7) HE2 LYS 17 - H GLU 51 lone 4 71 - 5 - Peak 5053 from nnoeabs.peaks (4.24, 8.06, 129.13 ppm; 5.22 A): 5 out of 8 assignments used, quality = 0.95: HA VAL 52 + H GLU 51 OK 61 65 - 93 - 3.0/983=42, ~222=29...(17) HA LEU 30 + H GLU 51 OK 54 85 - 64 - 3.6/6067=32, 4580/4.3=16...(12) HA ASP 53 + H GLU 51 OK 46 99 - 47 - 2.9/216=15, 3.0/5147=9...(9) HA LYS 78 + H GLU 51 OK 28 96 - 30 - 5072/3.0=6, 3291/3.9=4...(12) HA LEU 87 + H GLU 51 OK 22 100 - 22 - 4580/4.3=5, ~5086=3...(6) HA LEU 85 - H GLU 51 lone 7 92 - 8 - 5072/3.0=1 HA ALA 89 - H GLU 51 lone 7 99 - 7 - HA3 GLY 39 - H GLU 51 lone 2 65 - 3 - Peak 5054 from nnoeabs.peaks (4.94, 8.06, 129.13 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.84: HA TYR 32 + H GLU 51 OK 84 99 - 85 - 6061/3.6=34, 6063=33...(8) Peak 5074 from nnoeabs.peaks (4.67, 8.06, 129.13 ppm; 4.17 A): 3 out of 3 assignments used, quality = 0.93: HA LYS 56 + H GLU 51 OK 80 99 - 81 - 6052/3.0=33, 6054/4.6=21...(16) HA PHE 57 + H GLU 51 OK 59 92 - 65 - ~5243=13, 5073/3.0=12...(13) HA ASN 90 + H GLU 51 OK 17 100 - 17 - 5073/3.0=4, 5000/4.3=2...(7) Peak 5087 from nnoeabs.peaks (8.50, 8.06, 129.13 ppm; 4.66 A): 2 out of 3 assignments used, quality = 0.82: H LYS 31 + H GLU 51 OK 79 98 - 81 - 6067=44, 4602/4.3=30...(15) H THR 38 + H GLU 51 OK 11 76 - 15 - 5045/4.3=6, 4782/4.5=2 H GLY 61 - H GLU 51 lone 2 57 - 3 - Peak 5092 from nnoeabs.peaks (8.80, 9.38, 126.81 ppm; 4.26 A): 2 out of 4 assignments used, quality = 0.97: H PHE 57 + H VAL 52 OK 91 100 - 91 - 5238=35, 3.6/6054=29...(20) H GLY 54 + H VAL 52 OK 64 87 - 74 - 4.5/6133=26, 4.6/227=21...(16) H LEU 34 - H VAL 52 OK 31 99 - 32 - 5084/3.6=5, 3991/6054=4...(16) H ASN 18 - H VAL 52 OK 27 90 - 30 - 5238=7, 5243/3.6=4...(14) Peak 5093 from nnoeabs.peaks (7.18, 9.38, 126.81 ppm; 3.77 A): 4 out of 5 assignments used, quality = 0.84: QD PHE 57 + H VAL 52 OK 48 63 - 77 - 2.2/4652=28, 4650=18...(15) QE PHE 57 + H VAL 52 OK 46 65 - 70 - 2.2/4650=25, 4652=25...(12) H LYS 78 + H VAL 52 OK 26 93 - 28 - 2.9/739=6, 881/3.0=4...(10) QD PHE 80 + H VAL 52 OK 22 87 - 26 - 3.8/5094=4, 5097/3.0=3...(10) HD2 HIS 15 - H VAL 52 lone 5 85 - 6 - 5085/3.6=2 Peak 5094 from nnoeabs.peaks (6.94, 9.38, 126.81 ppm; 5.36 A): 2 out of 2 assignments used, quality = 0.90: HZ PHE 57 + H VAL 52 OK 84 99 - 85 - 2.2/4652=47, 3.8/4650=35...(14) HZ PHE 80 + H VAL 52 OK 37 96 - 39 - 4573/4652=7, 4655/4.0=6...(7) Peak 5111 from nnoeabs.peaks (4.67, 9.38, 126.81 ppm; 4.07 A): 3 out of 3 assignments used, quality = 0.92: HA LYS 56 + H VAL 52 OK 81 97 - 84 - 6054=48, 6052/3.6=27...(14) HA PHE 57 + H VAL 52 OK 54 83 - 66 - 3.7/4650=22, 2.9/5238=22...(11) HA ASN 90 + H VAL 52 OK 12 100 - 12 - 5073/3.6=3, 5074/4.6=2 Peak 5112 from nnoeabs.peaks (1.54, 9.38, 126.81 ppm; 5.60 A): 4 out of 10 assignments used, quality = 0.94: HD2 LYS 56 + H VAL 52 OK 74 99 - 75 - 5.3/6054=32, 3.0/5235=32...(12) HG LEU 30 + H VAL 52 OK 44 100 - 44 - 4583/5114=13, ~5115=8...(9) HG3 ARG 27 + H VAL 52 OK 39 81 - 48 - 6076/4.0=10, 6076/4.0=9...(12) QB ALA 71 + H VAL 52 OK 28 85 - 32 - 5663/5114=10, 5624/4.6=6...(9) HB3 LEU 87 - H VAL 52 OK 22 99 - 22 - ~6130=4, 3.0/739=2...(5) HB3 LYS 44 - H VAL 52 OK 21 100 - 21 - 6081/6054=4, 5057/3.6=3...(8) HG LEU 34 - H VAL 52 OK 21 73 - 28 - 5.1/5092=5, 5057/3.6=4...(9) HD3 LYS 64 - H VAL 52 OK 14 92 - 15 - 2.9/5113=3, 5057/3.6=2 HB3 LYS 26 - H VAL 52 OK 14 81 - 18 - 2.9/5113=2, ~5115=2...(5) HB2 LEU 85 - H VAL 52 poor 10 68 - 14 - 3.0/739=2, 5120/3.0=1 Peak 5113 from nnoeabs.peaks (0.72, 9.38, 126.81 ppm; 4.44 A): 6 out of 8 assignments used, quality = 0.88: QG1 VAL 50 + H VAL 52 OK 52 71 - 73 - 4.3/221=26, 2.1/5114=24...(12) QD1 LEU 79 + H VAL 52 OK 50 92 - 54 - 5847/4.0=14, 6175/4.6=11...(13) QD2 LEU 76 + H VAL 52 OK 29 99 - 29 - 4673/4650=4, 4666/4652=4...(13) QG1 VAL 20 + H VAL 52 OK 14 73 - 19 - 4418/4.6=5, 5132/4.0=3...(5) QG2 VAL 20 + H VAL 52 OK 12 99 - 12 - ~5115=2, 5132/4.0=2...(5) HG3 LYS 64 + H VAL 52 OK 11 90 - 12 - 219/4.6=2, 5062/3.6=2...(6) HG2 LYS 26 - H VAL 52 poor 8 68 - 12 - 5132/4.0=2, 5132/4.0=2...(5) QD1 LEU 12 - H VAL 52 lone 4 73 - 5 - Peak 5114 from nnoeabs.peaks (0.25, 9.38, 126.81 ppm; 5.59 A): 1 out of 1 assignment used, quality = 0.95: QG2 VAL 50 + H VAL 52 OK 95 97 - 97 - 220/4.6=40, 5049/3.6=36...(19) Peak 5133 from nnoeabs.peaks (0.85, 9.15, 127.12 ppm; 3.99 A): 4 out of 8 assignments used, quality = 0.65: QD2 LEU 30 + H ASP 53 OK 46 95 - 48 - 2.1/5134=9, 4587/4.4=8...(14) QB ALA 75 + H ASP 53 OK 18 95 - 19 - 6110/4.4=5, 6109/2496=3...(7) QD2 LEU 87 + H ASP 53 OK 13 96 - 14 - 4.1/744=3, 6090/4.4=1 HD2 LYS 26 + H ASP 53 OK 10 99 - 10 - 3.0/5134=2, 6090/4.4=1 QD2 LEU 85 - H ASP 53 lone 8 85 - 10 - 4.0/228=2 QD2 LEU 73 - H ASP 53 lone 6 90 - 6 - 2.1/5134=1 QD1 LEU 76 - H ASP 53 lone 4 71 - 6 - 2.1/5136=2 QG2 VAL 47 - H ASP 53 lone 3 92 - 3 - Peak 5134 from nnoeabs.peaks (0.76, 9.15, 127.12 ppm; 4.29 A): 6 out of 9 assignments used, quality = 0.93: QD1 LEU 30 + H ASP 53 OK 61 97 - 64 - 2.1/5133=17, 4592=7...(22) QD1 LEU 79 + H ASP 53 OK 51 78 - 65 - 5846/4.1=21, 6175=11...(13) QD2 LEU 79 + H ASP 53 OK 31 68 - 46 - 2.1/6175=14, 5851/4.1=10...(8) QG1 VAL 20 + H ASP 53 OK 26 95 - 27 - 4418=10, 5115/3.6=3...(9) HG2 LYS 26 + H ASP 53 OK 19 97 - 20 - 3.0/5133=3, 5115/3.6=2...(8) QG2 VAL 20 + H ASP 53 OK 12 60 - 20 - 2.1/4418=10, 5142/4.1=2...(6) QD1 LEU 73 - H ASP 53 poor 10 89 - 11 - 2.1/5133=2, 5169/5143=1 QD1 LEU 23 - H ASP 53 poor 7 60 - 12 - 4481/2496=3, 2.1/231=2 QD1 LEU 12 - H ASP 53 lone 6 95 - 7 - Peak 5135 from nnoeabs.peaks (1.51, 9.15, 127.12 ppm; 5.92 A): 4 out of 16 assignments used, quality = 0.94: HG3 ARG 27 + H ASP 53 OK 64 100 - 65 - 1.8/4534=14, 4536=13...(10) HG LEU 30 + H ASP 53 OK 48 65 - 73 - 2.1/5133=21, 2.1/4592=15...(20) QB ALA 71 + H ASP 53 OK 45 99 - 45 - 5624=6, 5652/4.1=5...(16) HB2 LYS 56 + H ASP 53 OK 41 96 - 42 - 4.6/5237=12, 5120/3.6=6...(12) HB3 LYS 26 - H ASP 53 OK 26 100 - 26 - 3.6/5133=4, 2.9/5134=4...(7) HB3 LEU 87 - H ASP 53 OK 26 85 - 31 - 3.1/5133=6, 3.0/744=5...(7) HB2 LEU 85 - H ASP 53 OK 26 100 - 25 - 3.1/5133=4, 3.0/228=3 HG LEU 34 - H ASP 53 OK 24 100 - 24 - 2089/4.6=5, 5.1/985=4...(5) QB ALA 72 - H ASP 53 OK 23 83 - 28 - 4.2/5624=5, 5675/2496=5...(10) HD2 LYS 56 - H ASP 53 OK 22 85 - 26 - 5112/4.6=4, 3.0/746=3...(6) HD2 LYS 17 - H ASP 53 OK 12 100 - 12 - HD3 LYS 17 - H ASP 53 OK 12 100 - 12 - HD3 LYS 64 - H ASP 53 poor 10 97 - 10 - 2882/2491=1 HG2 GLU 37 - H ASP 53 lone 10 97 - 10 - 3.0/5136=1 HB2 ARG 45 - H ASP 53 lone 6 100 - 6 - HB3 LYS 44 - H ASP 53 lone 6 63 - 9 - 1.8/5136=2 Peak 5136 from nnoeabs.peaks (1.81, 9.15, 127.12 ppm; 4.80 A): 5 out of 14 assignments used, quality = 0.80: HG3 GLU 51 + H ASP 53 OK 45 99 - 46 - 3976/4.6=14, 5155/4.6=11...(8) HG2 GLU 51 + H ASP 53 OK 45 99 - 46 - 3976/4.6=14, 5155/4.6=11...(8) HB3 GLU 33 + H ASP 53 OK 14 100 - 14 - 5155/4.6=4, 4.2/985=3...(5) HB2 LYS 31 + H ASP 53 OK 12 63 - 19 - ~4600=4, 4599/2.9=3...(7) HG LEU 76 + H ASP 53 OK 11 99 - 11 - 226/4.6=2, 2.1/5133=2 HB2 MET 48 - H ASP 53 poor 10 81 - 12 - 4.7/981=7 HB2 LYS 44 - H ASP 53 lone 6 100 - 6 - HB2 GLU 37 - H ASP 53 lone 4 100 - 4 - HB2 LYS 65 - H ASP 53 lone 4 65 - 6 - HB2 LYS 91 - H ASP 53 lone 3 78 - 4 - HG3 GLU 37 - H ASP 53 lone 3 65 - 5 - HB2 GLU 22 - H ASP 53 lone 3 63 - 4 - HB2 ARG 28 - H ASP 53 lone 2 63 - 4 - HB VAL 66 - H ASP 53 lone 1 63 - 2 - Peak 5143 from nnoeabs.peaks (8.02, 9.15, 127.12 ppm; 4.85 A): 1 out of 1 assignment used, quality = 0.93: H GLN 55 + H ASP 53 OK 93 100 - 93 - 986/4.6=34, 5198/4.6=33...(15) Peak 5155 from nnoeabs.peaks (1.81, 8.78, 103.19 ppm; 3.33 A): 3 out of 13 assignments used, quality = 0.81: HG3 GLU 51 + H GLY 54 OK 52 100 - 52 - 3.0/5156=7, 3.0/5158=7...(14) HG2 GLU 51 + H GLY 54 OK 52 100 - 52 - 3.0/5156=7, 3.0/5158=7...(14) HB3 GLU 33 + H GLY 54 OK 17 100 - 17 - 1.8/3912=3, 3913=3...(7) HB2 LYS 31 - H GLY 54 lone 6 76 - 8 - 4599/3.6=2, 1.8/5156=2 HD3 LYS 78 - H GLY 54 lone 5 68 - 8 - 3.7/5158=2, 2.9/5156=2 HB2 MET 48 - H GLY 54 lone 3 90 - 4 - HB2 LYS 44 - H GLY 54 lone 3 100 - 3 - HG LEU 76 - H GLY 54 lone 3 100 - 3 - HB2 LYS 91 - H GLY 54 lone 3 89 - 3 - HB2 GLU 37 - H GLY 54 lone 2 99 - 2 - HB2 LYS 65 - H GLY 54 lone 2 78 - 3 - HG3 GLU 37 - H GLY 54 lone 2 78 - 2 - HB2 ARG 28 - H GLY 54 lone 1 76 - 1 - Peak 5156 from nnoeabs.peaks (1.69, 8.78, 103.19 ppm; 4.60 A): 5 out of 10 assignments used, quality = 0.81: HB3 GLU 51 + H GLY 54 OK 64 99 - 64 - 1.8/5158=17, 3.0/5155=15...(11) HB2 LEU 30 + H GLY 54 OK 17 100 - 17 - 1884/3.6=8, 3.0/233=5 HG2 LYS 78 + H GLY 54 OK 16 97 - 17 - 2.8/5158=4, 3.7/233=3...(4) HB3 LYS 31 + H GLY 54 OK 12 97 - 13 - 4600/3.6=4, 1.8/5155=2 HB3 ARG 27 + H GLY 54 OK 12 99 - 12 - 6074/5157=2, 6074/5157=2 HD3 LYS 31 - H GLY 54 lone 5 89 - 6 - 3.6/5155=2 HB3 LYS 91 - H GLY 54 lone 5 100 - 5 - HD2 LYS 31 - H GLY 54 lone 5 85 - 6 - 3.6/5155=2 HB3 LEU 73 - H GLY 54 lone 2 85 - 3 - HG3 ARG 28 - H GLY 54 lone 2 63 - 2 - Peak 5157 from nnoeabs.peaks (0.94, 8.78, 103.19 ppm; 4.43 A): 2 out of 3 assignments used, quality = 0.90: QG2 VAL 52 + H GLY 54 OK 69 100 - 69 - 4.3/232=23, 2.1/5159=16...(10) QG1 VAL 52 + H GLY 54 OK 68 99 - 69 - 4.3/232=23, 2.1/5159=16...(10) QD2 LEU 23 - H GLY 54 lone 6 73 - 9 - 5168/4.5=1, 231/4.6=1...(4) Peak 5158 from nnoeabs.peaks (1.99, 8.78, 103.19 ppm; 4.50 A): 3 out of 12 assignments used, quality = 0.71: HB2 GLU 51 + H GLY 54 OK 52 87 - 59 - 1.8/5156=17, 3.0/5155=14...(9) HB2 LEU 34 + H GLY 54 OK 29 98 - 29 - 2075=6, 1.8/2082=5...(8) HB2 LYS 78 + H GLY 54 OK 15 99 - 16 - 2.8/5156=4, 3.0/233=3...(4) HB2 GLN 58 - H GLY 54 lone 4 71 - 5 - 4.0/257=2, ~5273=1 HB3 PRO 19 - H GLY 54 lone 4 100 - 4 - HB2 PRO 19 - H GLY 54 lone 4 99 - 4 - HE3 LYS 68 - H GLY 54 lone 3 100 - 3 - HG2 PRO 84 - H GLY 54 lone 3 97 - 3 - HB3 PRO 81 - H GLY 54 lone 2 90 - 3 - HG2 PRO 19 - H GLY 54 lone 2 68 - 3 - HB2 GLU 25 - H GLY 54 lone 2 99 - 2 - HB2 GLU 77 - H GLY 54 lone 1 65 - 2 - Peak 5159 from nnoeabs.peaks (2.16, 8.78, 103.19 ppm; 4.84 A): 3 out of 3 assignments used, quality = 0.89: HB VAL 52 + H GLY 54 OK 72 100 - 72 - 4.4/232=25, 2.1/5157=20...(8) HG2 GLN 55 + H GLY 54 OK 54 99 - 55 - 4.9/986=31, 229/4.6=8...(10) HB3 MET 21 + H GLY 54 OK 14 97 - 14 - 754/4.5=5, 229/4.6=2, 4.2/6155=2 Peak 5167 from nnoeabs.peaks (1.51, 8.02, 121.22 ppm; 5.15 A): 4 out of 16 assignments used, quality = 0.92: HB2 LYS 56 + H GLN 55 OK 70 96 - 73 - 4.0/239=33, 5223/2.9=14...(13) HD2 LYS 56 + H GLN 55 OK 49 85 - 58 - 5.8/239=22, ~5224=10...(11) QB ALA 71 + H GLN 55 OK 35 99 - 35 - 5651/2.9=5, 5634/6.8=4...(13) QB ALA 72 + H GLN 55 OK 24 83 - 29 - 5173/2.9=5, 6102/3.9=4...(8) HG3 ARG 27 - H GLN 55 OK 23 100 - 23 - 4536/5143=3, 3.9/5197=3...(8) HG LEU 34 - H GLN 55 OK 22 100 - 22 - 2089/4.5=4, 760/4.6=4...(7) HD2 LYS 17 - H GLN 55 OK 16 100 - 16 - 760/4.6=3, 5173/2.9=2...(4) HD3 LYS 17 - H GLN 55 OK 16 100 - 16 - 760/4.6=3, 5173/2.9=2...(4) HB3 LEU 87 - H GLN 55 OK 14 85 - 17 - 3.0/5150=6, 3.9/987=4 HB3 LYS 26 - H GLN 55 OK 14 100 - 14 - 2.9/5169=4, 5173/2.9=1 HG LEU 30 - H GLN 55 OK 13 65 - 20 - 2.1/5169=7, 3.7/5150=5...(6) HB2 LEU 85 - H GLN 55 OK 11 100 - 11 - 3.0/5150=2, 3633/4.6=1 HD3 LYS 64 - H GLN 55 lone 6 97 - 6 - HG2 GLU 37 - H GLN 55 lone 6 97 - 6 - HB3 LYS 44 - H GLN 55 lone 6 63 - 9 - 764/4.6=2, 5057/5200=1 HB2 ARG 45 - H GLN 55 lone 4 100 - 4 - Peak 5168 from nnoeabs.peaks (0.94, 8.02, 121.22 ppm; 4.34 A): 2 out of 3 assignments used, quality = 0.98: QG2 VAL 52 + H GLN 55 OK 85 100 - 85 - 4.0/5198=31, 4.3/5143=21...(17) QG1 VAL 52 + H GLN 55 OK 84 99 - 85 - 4.0/5198=31, 4.3/5143=21...(16) QD2 LEU 23 - H GLN 55 OK 11 73 - 15 - 5171/3.9=2, 5181/3.9=2 Peak 5169 from nnoeabs.peaks (0.75, 8.02, 121.22 ppm; 4.56 A): 7 out of 7 assignments used, quality = 0.85: QD1 LEU 79 + H GLN 55 OK 46 89 - 52 - 5847/4.9=8, 5846/5144=8...(17) QG1 VAL 20 + H GLN 55 OK 27 99 - 27 - 5182/4.9=4, 5170/3.9=4...(7) QD1 LEU 30 + H GLN 55 OK 24 90 - 27 - 4.0/5150=4, 5134/5143=3...(10) QD1 LEU 73 + H GLN 55 OK 20 78 - 25 - 3.1/753=4, 5182/4.9=3...(10) HG2 LYS 26 + H GLN 55 OK 16 99 - 16 - 5182/4.9=2, 5170/3.9=2...(5) QG2 VAL 20 + H GLN 55 OK 16 73 - 21 - 5170/3.9=3, 5182/4.9=3...(6) QD1 LEU 12 + H GLN 55 OK 11 99 - 11 - 4268/3.6=2, 5170/3.9=1...(4) Peak 5177 from nnoeabs.peaks (2.79, 8.02, 121.22 ppm; 4.68 A): 4 out of 4 assignments used, quality = 0.93: HB3 ASP 53 + H GLN 55 OK 82 99 - 82 - 4.6/986=32, 4.1/5143=26...(10) HB3 PHE 57 + H GLN 55 OK 35 92 - 38 - 4.4/5184=12, 4.0/236=9...(10) HE3 LYS 56 + H GLN 55 OK 26 76 - 34 - 7.4/239=11, ~5174=5...(10) HE2 LYS 56 + H GLN 55 OK 20 65 - 31 - 7.4/239=11, ~5174=5...(9) Peak 5178 from nnoeabs.peaks (2.92, 8.02, 121.22 ppm; 5.68 A): 3 out of 6 assignments used, quality = 0.73: HB2 ASP 53 + H GLN 55 OK 58 65 - 89 - 4.6/986=42, 1.8/5144=38...(9) HB3 PHE 80 + H GLN 55 OK 27 93 - 29 - 2.5/5184=12, ~5199=7...(7) HB2 ASN 63 + H GLN 55 OK 12 97 - 12 - 4.0/757=4, 5206/6.8=4 HB2 ASN 24 - H GLN 55 lone 9 100 - 9 - 5206/6.8=1 HE2 LYS 14 - H GLN 55 lone 4 97 - 4 - HE3 LYS 14 - H GLN 55 lone 4 93 - 4 - Peak 5179 from nnoeabs.peaks (4.25, 8.02, 121.22 ppm; 4.41 A): 3 out of 8 assignments used, quality = 0.96: HA VAL 52 + H GLN 55 OK 78 89 - 88 - 3.0/5198=41, 3.6/5143=25...(15) HA ASP 53 + H GLN 55 OK 71 89 - 80 - 3.6/986=37, 2.9/5143=28...(7) HA LYS 78 + H GLN 55 OK 35 100 - 36 - 2.9/5184=10, 3.6/987=7...(9) HA LEU 87 - H GLN 55 OK 21 97 - 22 - 5150=5, 2.9/987=4...(7) HA LEU 30 - H GLN 55 OK 12 60 - 20 - 5150=5, 4.0/5169=4...(6) HA LEU 85 - H GLN 55 OK 11 100 - 11 - 5150=2 HA ALA 89 - H GLN 55 lone 4 100 - 3 - HA3 GLY 39 - H GLN 55 lone 2 89 - 2 - Peak 5184 from nnoeabs.peaks (7.20, 8.02, 121.22 ppm; 4.23 A): 3 out of 3 assignments used, quality = 0.85: QE PHE 57 + H GLN 55 OK 61 97 - 63 - 4652/5198=13...(13) H LYS 78 + H GLN 55 OK 40 100 - 40 - 5199/2.9=7, 1010/4.6=6...(10) QD PHE 80 + H GLN 55 OK 35 100 - 35 - 5199/2.9=6, 4715/4.6=5...(11) Peak 5197 from nnoeabs.peaks (9.16, 8.02, 121.22 ppm; 4.93 A): 2 out of 3 assignments used, quality = 0.94: H ASP 53 + H GLN 55 OK 92 97 - 95 - 5143=48, 4.6/986=35...(15) H VAL 50 + H GLN 55 OK 30 100 - 30 - 232/4.5=6, 984/6133=5...(11) HE ARG 27 - H GLN 55 OK 12 57 - 20 - 984/6133=3, 232/4.5=3...(9) Peak 5198 from nnoeabs.peaks (9.39, 8.02, 121.22 ppm; 3.39 A): 1 out of 1 assignment used, quality = 0.75: H VAL 52 + H GLN 55 OK 75 97 - 78 - 6133=44, 3.6/5200=18...(14) Peak 5200 from nnoeabs.peaks (5.29, 8.02, 121.22 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.69: HA GLU 51 + H GLN 55 OK 69 100 - 69 - 3.6/5198=32, 5232/4.6=16...(12) Peak 5202 from nnoeabs.peaks (1.49, 6.80, 111.81 ppm; 5.80 A): 4 out of 11 assignments used, quality = 0.87: QB ALA 72 + HE21 GLN 55 OK 57 99 - 57 - 5697=12, 5694/1.7=11...(12) HG LEU 79 + HE21 GLN 55 OK 56 97 - 59 - 2.1/5873=26, ~5869=23...(5) HB2 LYS 56 + HE21 GLN 55 OK 22 92 - 24 - 5223/5.7=10, 5119/3.5=3...(4) HG LEU 34 + HE21 GLN 55 OK 13 60 - 21 - ~4684=5, 4694/1.7=4...(6) HG2 GLU 37 - HE21 GLN 55 lone 9 90 - 9 - 1.8/4907=2 HD2 LYS 17 - HE21 GLN 55 poor 8 76 - 10 - 5173/5.7=2, 5119/3.5=1 HD3 LYS 17 - HE21 GLN 55 poor 8 76 - 10 - 5173/5.7=2, 5119/3.5=1 HG LEU 12 - HE21 GLN 55 lone 6 76 - 8 - 3416/5873=2 HB3 LEU 76 - HE21 GLN 55 lone 6 73 - 8 - 3416/5873=2 HB2 LEU 85 - HE21 GLN 55 lone 4 65 - 5 - HB2 ARG 45 - HE21 GLN 55 lone 3 76 - 4 - Peak 5203 from nnoeabs.peaks (0.79, 6.80, 111.81 ppm; 3.38 A): 4 out of 5 assignments used, quality = 0.77: QD2 LEU 79 + HE21 GLN 55 OK 43 100 - 43 - 5873=19, 5869/1.7=14...(7) HG3 LYS 68 + HE21 GLN 55 OK 41 89 - 46 - 5527=7, 5204/1.7=7...(15) QD1 LEU 73 + HE21 GLN 55 OK 24 97 - 25 - 5709=5, 5204/1.7=5...(7) QD1 LEU 23 + HE21 GLN 55 OK 11 100 - 11 - 5204/1.7=2, 1615/3.5=1 QD1 LEU 30 - HE21 GLN 55 poor 9 90 - 10 - 5204/1.7=3, 4585/5047=1 Peak 5204 from nnoeabs.peaks (0.78, 7.54, 111.81 ppm; 3.73 A): 5 out of 12 assignments used, quality = 0.78: QD2 LEU 79 + HE22 GLN 55 OK 46 98 - 47 - 5869=20, 5873/1.7=19...(6) HG3 LYS 68 + HE22 GLN 55 OK 33 65 - 50 - 5203/1.7=13, 2.9/4047=7...(13) QD1 LEU 73 + HE22 GLN 55 OK 24 100 - 24 - 5203/1.7=7, ~5708=4...(6) QD1 LEU 30 + HE22 GLN 55 OK 12 99 - 12 - 5203/1.7=3, 5182/3.5=2 QD1 LEU 23 + HE22 GLN 55 OK 10 96 - 11 - 5203/1.7=3, 1615/3.5=1 HG2 LYS 26 - HE22 GLN 55 lone 5 63 - 7 - 5182/3.5=1 QD1 LEU 73 - H SER 36 poor 4 38 - 10 - 5713/3.6=5, 6145/4.4=2 QD2 LEU 79 - H SER 36 lone 1 36 - 3 - 5869=1 HG3 LYS 68 - H SER 36 lone 1 20 - 3 - HG2 LYS 26 - H SER 36 lone 1 19 - 3 - QD1 LEU 30 - H SER 36 lone 0 37 - 1 - QD1 LEU 23 - H SER 36 lone 0 34 - 1 - Peak 5205 from nnoeabs.peaks (2.79, 7.54, 111.81 ppm; 4.94 A): 2 out of 8 assignments used, quality = 0.83: HB3 ASP 53 + HE22 GLN 55 OK 80 99 - 81 - 5208/1.7=34, 5145=33...(7) HB3 PHE 57 + HE22 GLN 55 OK 12 92 - 14 - 5208/1.7=5, 5177/6.8=3...(4) HE3 LYS 56 - HE22 GLN 55 lone 7 76 - 9 - 5208/1.7=3, 5177/6.8=3 HE2 LYS 56 - HE22 GLN 55 lone 5 65 - 7 - ~5208=3, 5177/6.8=2 HB3 ASP 53 - H SER 36 lone 2 37 - 6 - 5145=2, 1.8/5148=1 HB3 PHE 57 - H SER 36 lone 1 31 - 4 - 4.7/4769=2 HE3 LYS 56 - H SER 36 lone 1 24 - 5 - HE2 LYS 56 - H SER 36 lone 1 20 - 4 - Peak 5206 from nnoeabs.peaks (2.91, 7.54, 111.81 ppm; 4.83 A): 2 out of 14 assignments used, quality = 0.74: HB2 ASP 53 + HE22 GLN 55 OK 66 90 - 73 - 1.8/5205=28, ~5208=25...(7) HB2 ASN 63 + HE22 GLN 55 OK 25 100 - 24 - 2805=7, 1.8/2811=5...(7) HB3 PHE 80 - HE22 GLN 55 lone 10 100 - 10 - 5178/6.8=3, 5850/5869=2 HE3 LYS 65 - HE22 GLN 55 poor 9 63 - 15 - 5.8/4180=4, 5.1/2592=3...(5) HB2 ASN 24 - HE22 GLN 55 lone 7 98 - 8 - 5148=1 HE3 LYS 14 - HE22 GLN 55 lone 5 100 - 4 - HE2 LYS 14 - HE22 GLN 55 lone 5 100 - 4 - HB2 ASP 53 - H SER 36 lone 2 31 - 5 - 1.8/5145=2, 5148=1 HB2 ASN 63 - H SER 36 lone 1 38 - 4 - HE3 LYS 65 - H SER 36 lone 1 19 - 5 - 7.4/5450=2 HB3 PHE 80 - H SER 36 lone 1 38 - 2 - HE3 LYS 14 - H SER 36 lone 1 38 - 2 - HE2 LYS 14 - H SER 36 lone 1 38 - 2 - HB2 ASN 24 - H SER 36 lone 1 36 - 2 - Peak 5207 from nnoeabs.peaks (3.11, 7.54, 111.81 ppm; 6.01 A): 2 out of 6 assignments used, quality = 0.71: HE2 LYS 78 + HE22 GLN 55 OK 46 89 - 52 - 5210/1.7=22, ~5210=20...(4) HE3 LYS 78 + HE22 GLN 55 OK 45 87 - 52 - 5210/1.7=22, ~5210=21...(4) HB2 HIS 42 - HE22 GLN 55 lone 4 100 - 4 - 5210/1.7=1 HB2 HIS 42 - H SER 36 lone 1 38 - 4 - 4.5/978=1 HE2 LYS 78 - H SER 36 lone 1 30 - 4 - HE3 LYS 78 - H SER 36 lone 1 29 - 4 - Peak 5208 from nnoeabs.peaks (2.78, 6.80, 111.81 ppm; 4.68 A): 2 out of 3 assignments used, quality = 0.75: HB3 ASP 53 + HE21 GLN 55 OK 72 100 - 72 - 5145/1.7=27, 1.8/5209=21...(9) HB3 PHE 57 + HE21 GLN 55 OK 11 83 - 13 - 5205/1.7=4, 5177/6.8=3 HE3 LYS 56 - HE21 GLN 55 poor 7 63 - 11 - 5205/1.7=2, 5177/6.8=2...(4) Peak 5209 from nnoeabs.peaks (2.89, 6.80, 111.81 ppm; 4.84 A): 3 out of 8 assignments used, quality = 0.82: HB2 ASP 53 + HE21 GLN 55 OK 76 99 - 77 - 1.8/5208=33, ~5145=22...(8) HB2 ASN 63 + HE21 GLN 55 OK 13 76 - 17 - 2805/1.7=5, ~2811=4...(4) HB3 ASN 63 + HE21 GLN 55 OK 13 60 - 21 - ~5206=6, ~2805=5...(5) HE2 LYS 65 - HE21 GLN 55 lone 10 97 - 10 - 5.1/2591=3, ~5206=2, 2935/4.5=1 HE3 LYS 65 - HE21 GLN 55 lone 9 99 - 10 - 5.1/2591=3, 5206/1.7=2 HB3 PHE 80 - HE21 GLN 55 lone 8 85 - 9 - 5850/5873=2, 5206/1.7=2 HE3 LYS 14 - HE21 GLN 55 lone 4 85 - 4 - ~5206=1 HE2 LYS 14 - HE21 GLN 55 lone 3 78 - 4 - ~5206=1 Peak 5210 from nnoeabs.peaks (3.10, 6.80, 111.81 ppm; 4.82 A): 2 out of 3 assignments used, quality = 0.73: HE2 LYS 78 + HE21 GLN 55 OK 48 99 - 48 - 5832=18, 1.8/5832=15...(5) HE3 LYS 78 + HE21 GLN 55 OK 48 99 - 48 - 5832=18, 1.8/5832=15...(5) HB2 HIS 42 - HE21 GLN 55 lone 3 97 - 3 - 5207/1.7=1 Peak 5232 from nnoeabs.peaks (5.29, 8.20, 120.64 ppm; 4.97 A): 1 out of 2 assignments used, quality = 0.97: HA GLU 51 + H LYS 56 OK 97 100 - 97 - 6052/3.0=42, 5200/4.6=30...(18) HA GLU 51 - H GLU 22 poor 6 48 - 13 - 5055/4.6=2, 3.6/5233=2 Peak 5233 from nnoeabs.peaks (9.38, 8.20, 120.64 ppm; 5.52 A): 1 out of 2 assignments used, quality = 0.92: H VAL 52 + H LYS 56 OK 92 99 - 93 - 6054/3.0=46, 5198/4.6=39...(11) H VAL 52 - H GLU 22 poor 6 46 - 14 - 740/4.6=3, 3.6/5232=2 Peak 5237 from nnoeabs.peaks (9.17, 8.80, 121.50 ppm; 3.53 A): 2 out of 4 assignments used, quality = 0.83: H VAL 50 + H PHE 57 OK 72 98 - 73 - 5028=22, 3.6/5244=15...(17) H ASP 53 + H PHE 57 OK 41 89 - 46 - 985=11, 4.6/5238=11...(16) H VAL 50 - H ASN 18 poor 8 51 - 16 - 5028=3, 3.6/5244=2...(5) H ASP 53 - H ASN 18 poor 7 43 - 15 - 985=4, 4.6/5238=2...(4) Peak 5238 from nnoeabs.peaks (9.38, 8.80, 121.50 ppm; 4.53 A): 2 out of 2 assignments used, quality = 0.94: H VAL 52 + H PHE 57 OK 92 100 - 92 - 6054/3.6=33, 3.6/5243=29...(22) H VAL 52 + H ASN 18 OK 18 55 - 32 - 5092=6, 3.6/5243=5...(14) Peak 5243 from nnoeabs.peaks (5.29, 8.80, 121.50 ppm; 3.76 A): 2 out of 2 assignments used, quality = 0.86: HA GLU 51 + H PHE 57 OK 84 100 - 84 - 6052/3.6=24, 5084=18...(21) HA GLU 51 + H ASN 18 OK 14 54 - 25 - 5084=5, 3.6/5238=3...(9) Peak 5244 from nnoeabs.peaks (5.67, 8.80, 121.50 ppm; 4.49 A): 2 out of 2 assignments used, quality = 0.74: HA GLU 49 + H PHE 57 OK 71 100 - 71 - 3.6/5237=20, 5299/4.6=15...(16) HA GLU 49 + H ASN 18 OK 11 55 - 20 - 3.7/4935=4, 3.7/4940=3...(6) Peak 5245 from nnoeabs.peaks (5.81, 8.80, 121.50 ppm; 5.26 A): 2 out of 2 assignments used, quality = 0.87: HA GLN 58 + H PHE 57 OK 85 100 - 85 - 3.0/989=28, ~4000=25...(20) HA GLN 58 + H ASN 18 OK 16 55 - 28 - 5274/3.6=6, 3.0/257=5...(9) Peak 5246 from nnoeabs.peaks (8.08, 8.80, 121.50 ppm; 5.62 A): 3 out of 6 assignments used, quality = 0.90: H GLU 51 + H PHE 57 OK 86 93 - 93 - 3.0/5243=41, 4.6/5238=28...(17) H THR 83 + H PHE 57 OK 16 100 - 16 - 2501/5243=3, 3971/5249=2...(6) H GLU 51 + H ASN 18 OK 14 47 - 30 - 3.0/5243=7, 4.6/5238=6...(11) H THR 83 - H ASN 18 poor 7 55 - 13 - 5929/4.8=6 H MET 11 - H PHE 57 lone 2 71 - 3 - H MET 11 - H ASN 18 lone 1 32 - 3 - Peak 5247 from nnoeabs.peaks (0.91, 8.80, 121.50 ppm; 4.69 A): 6 out of 14 assignments used, quality = 0.79: QG2 VAL 52 + H PHE 57 OK 39 60 - 65 - 4.0/5238=24, 4671/4.4=11...(16) QD2 LEU 23 + H PHE 57 OK 28 100 - 28 - 4480/5249=6, 4671/4.4=4...(10) HB3 LEU 30 + H PHE 57 OK 26 96 - 28 - 4582/5249=6, 5024/5041=3...(11) HD3 LYS 26 + H PHE 57 OK 15 96 - 16 - 4664/6.4=3, 4671/4.4=2...(5) QD1 LEU 76 + H PHE 57 OK 14 60 - 23 - 2.1/5248=8, 5261/4.4=5...(5) QD1 LEU 87 + H PHE 57 OK 10 89 - 11 - 4.7/247=2, 4664/6.4=1...(4) QD1 LEU 85 - H PHE 57 lone 6 83 - 7 - QD2 LEU 23 - H ASN 18 lone 5 55 - 10 - 1609/4.9=3, 1609/4.9=2 QG2 VAL 52 - H ASN 18 poor 5 26 - 19 - 4.0/5238=5, 3.2/5095=3...(6) HB3 LEU 30 - H ASN 18 lone 3 49 - 6 - QD1 LEU 76 - H ASN 18 lone 2 26 - 9 - 6048/4.8=2, 2.1/5248=1 HD3 LYS 26 - H ASN 18 lone 2 49 - 4 - QD1 LEU 87 - H ASN 18 lone 1 43 - 3 - QD1 LEU 85 - H ASN 18 lone 1 39 - 3 - Peak 5248 from nnoeabs.peaks (0.71, 8.80, 121.50 ppm; 3.97 A): 5 out of 10 assignments used, quality = 0.92: QG1 VAL 50 + H PHE 57 OK 77 93 - 83 - 5041=23, 5038/4.4=19...(19) QD2 LEU 76 + H PHE 57 OK 37 100 - 38 - 4673/4.4=7, 5256/4.0=7...(14) HG3 LYS 64 + H PHE 57 OK 24 100 - 24 - 5256/4.0=3, 4673/4.4=3...(10) QD1 LEU 79 + H PHE 57 OK 18 68 - 26 - 5262/4.4=4, 4666/6.4=4...(11) QG2 VAL 20 + H PHE 57 OK 10 85 - 12 - 4400/4.6=2, 4401/4.6=2 QG2 VAL 20 - H ASN 18 poor 9 41 - 23 - 3840/5.7=5, 1501/4.7=4...(9) QG1 VAL 50 - H ASN 18 poor 7 47 - 16 - 2.1/5249=2, 4.0/5237=2...(5) QD2 LEU 76 - H ASN 18 poor 6 54 - 11 - 5773/4.9=1, 5773/4.9=1 QD1 LEU 79 - H ASN 18 poor 4 31 - 14 - 3406/4.8=3, 4361/4.8=2 HG3 LYS 64 - H ASN 18 lone 4 54 - 7 - 4677/4.9=1 Peak 5249 from nnoeabs.peaks (0.27, 8.80, 121.50 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.91: QG2 VAL 50 + H PHE 57 OK 89 96 - 94 - 5046/4.4=27, 4.0/5237=27...(25) QG2 VAL 50 + H ASN 18 OK 14 49 - 29 - 4.3/5246=4, 4.0/5237=3...(9) Peak 5250 from nnoeabs.peaks (1.80, 8.80, 121.50 ppm; 4.35 A): 4 out of 30 assignments used, quality = 0.96: HG2 GLU 51 + H PHE 57 OK 63 100 - 63 - 3.9/5243=26, 4.9/5246=10...(13) HG3 GLU 51 + H PHE 57 OK 63 100 - 63 - 3.9/5243=26, 4.9/5246=10...(13) HB3 GLU 33 + H PHE 57 OK 52 97 - 54 - 1.8/3912=11, 3913=10...(12) QB ALA 74 + H PHE 57 OK 38 63 - 61 - 5735/4.6=12, 5728/2.9=12...(11) HG LEU 76 - H PHE 57 OK 24 100 - 24 - 2.1/5248=8, 5780/6.4=3...(5) HB2 MET 48 - H PHE 57 OK 24 97 - 24 - 4.0/4920=6, 4.7/4928=4...(6) HB2 LYS 44 - H PHE 57 OK 20 97 - 21 - 2260/4.6=3, 3913=3...(6) HD3 LYS 78 - H PHE 57 OK 19 83 - 23 - 3347/6.4=4, 5829/8.1=4...(6) HB3 GLU 33 - H ASN 18 OK 16 50 - 31 - 1.8/3912=6, 3.0/3915=6...(6) HB2 LYS 31 - H PHE 57 OK 14 89 - 16 - 4604/5249=3, 3.0/252=1 HB2 ARG 27 - H PHE 57 OK 13 63 - 20 - 3.5/770=3, 5253/4.0=3...(7) HG2 GLU 51 - H ASN 18 poor 10 54 - 18 - 3.9/5243=4, 3.0/5090=2...(5) HG3 GLU 51 - H ASN 18 poor 10 54 - 18 - 3.9/5243=4, 3.0/5090=2...(5) HG3 GLU 37 - H PHE 57 lone 9 90 - 10 - HB2 LYS 65 - H PHE 57 lone 9 90 - 10 - 3.0/252=1 HB2 ARG 28 - H PHE 57 lone 7 89 - 8 - 1828/4.0=2, 4.0/770=1 HB2 LYS 65 - H ASN 18 poor 7 44 - 17 - 2920/4.6=3, 2920/4.6=3...(5) HB2 MET 48 - H ASN 18 poor 5 51 - 11 - 4.0/4920=4 HB2 GLU 37 - H PHE 57 lone 5 96 - 6 - HB2 LYS 91 - H PHE 57 lone 5 97 - 5 - HG LEU 76 - H ASN 18 lone 5 54 - 8 - 6171/4.9=1, 2.1/5248=1 HB2 LYS 44 - H ASN 18 lone 4 50 - 8 - 3913=1 HB2 LYS 31 - H ASN 18 lone 3 43 - 7 - QB ALA 74 - H ASN 18 lone 2 28 - 8 - 4.5/5747=3 HD3 LYS 78 - H ASN 18 lone 2 39 - 6 - HG3 GLU 37 - H ASN 18 lone 2 44 - 4 - HB2 GLU 37 - H ASN 18 lone 2 49 - 3 - HB2 ARG 27 - H ASN 18 lone 1 28 - 5 - HB2 LYS 91 - H ASN 18 lone 1 50 - 2 - HB2 ARG 28 - H ASN 18 lone 1 43 - 2 - Peak 5251 from nnoeabs.peaks (1.93, 8.80, 121.50 ppm; 4.25 A): 4 out of 26 assignments used, quality = 0.93: HG3 GLU 49 + H PHE 57 OK 65 99 - 66 - 3.7/5244=22, 1.8/4935=14...(15) HB2 GLU 33 + H PHE 57 OK 54 97 - 56 - 3912=12, 3.0/3914=8...(15) QE MET 48 + H PHE 57 OK 41 100 - 41 - 4920=12, 4921/4.6=4...(17) HB2 GLN 58 + H PHE 57 OK 28 63 - 45 - 2.9/5245=19, 4.0/989=16...(7) HB VAL 47 - H PHE 57 OK 20 100 - 20 - 2394/4.6=7, 4.0/989=5...(4) HB2 LEU 76 - H PHE 57 OK 20 95 - 21 - 3.1/5248=6, 5776/6.4=3...(5) HD2 LYS 78 - H PHE 57 OK 20 96 - 20 - 3337/6.4=5, 5828/8.1=4...(6) HB2 GLU 33 - H ASN 18 OK 18 51 - 35 - 3912=7, 3.0/3915=5...(9) HG3 PRO 81 - H PHE 57 OK 16 95 - 17 - 2.3/770=5, 3497/4.0=3, ~2701=3 QE MET 48 - H ASN 18 OK 14 55 - 25 - 4920=7, 4866/4.9=2...(9) HB3 GLU 22 - H PHE 57 OK 13 97 - 13 - 6120/4.6=2, 5213/4.6=1 HG3 GLU 49 - H ASN 18 OK 13 53 - 24 - 1.8/4935=5, 4940=4...(5) HG2 PRO 19 - H ASN 18 OK 13 29 - 43 - ~4344=20, ~4346=18...(6) HB VAL 20 - H ASN 18 OK 12 54 - 23 - 3838/5.7=6, 1491/4.7=5...(8) HB VAL 20 - H PHE 57 OK 11 100 - 11 - 2.1/5248=2, 5211/4.6=1 HG2 PRO 19 - H PHE 57 poor 8 65 - 12 - 4379/4.6=3, 4380/4.6=2 HG3 PRO 84 - H PHE 57 lone 7 90 - 8 - 2456/5244=1 HG3 PRO 84 - H ASN 18 poor 7 44 - 15 - 3569/4.8=5, ~4346=3...(4) HB3 GLU 22 - H ASN 18 poor 6 51 - 12 - 6124/4.6=1, 6124/4.6=1 HB2 GLU 77 - H PHE 57 lone 4 68 - 6 - HB VAL 47 - H ASN 18 lone 4 55 - 7 - 5977/154=1, 4839/4.9=1 HB2 LEU 76 - H ASN 18 lone 4 48 - 8 - HD2 LYS 78 - H ASN 18 lone 3 49 - 6 - 6124/4.6=1, 6124/4.6=1 HB2 GLN 58 - H ASN 18 poor 3 28 - 11 - 2.9/5245=4, 4.0/257=3 HG3 PRO 81 - H ASN 18 lone 3 48 - 6 - 3569/4.8=1 HB2 GLU 77 - H ASN 18 lone 2 31 - 6 - Peak 5252 from nnoeabs.peaks (2.03, 8.80, 121.50 ppm; 3.89 A): 6 out of 16 assignments used, quality = 0.95: HB3 GLU 49 + H PHE 57 OK 59 96 - 61 - 3.0/5244=21, 4.3/5237=13...(13) HG2 GLU 49 + H PHE 57 OK 57 93 - 62 - 3.7/5244=18, 4935=12...(15) HB2 GLN 55 + H PHE 57 OK 34 99 - 35 - 5187/4.4=8, 3987/4.6=7...(7) HG3 GLN 55 + H PHE 57 OK 30 99 - 30 - 4.7/988=7, 5193/6.4=5...(7) HA ALA 75 + H PHE 57 OK 29 78 - 37 - 2.1/5747=7, 4.4/5736=7...(9) HB2 LEU 23 + H PHE 57 OK 13 93 - 14 - 3.1/5247=4, 4668/4.4=1...(4) HG2 GLU 49 - H ASN 18 poor 9 47 - 20 - 4935=4, 1.8/4940=3...(5) HB3 GLU 49 - H ASN 18 poor 9 49 - 18 - 3.0/5244=3, 3.0/4935=3...(6) QE MET 21 - H ASN 18 poor 9 31 - 29 - 4427/5.7=7, 4440/3.9=4...(7) HB2 GLN 55 - H ASN 18 poor 6 53 - 12 - 4.6/988=3, 3.9/236=2...(4) HG3 GLN 55 - H ASN 18 poor 6 52 - 11 - 4.7/988=3, 5194=2...(4) QE MET 21 - H PHE 57 lone 5 68 - 8 - 4443/4.6=2, 6155=1, 3846/4.6=1 HB2 MET 21 - H ASN 18 poor 5 28 - 19 - 4.2/6155=6, 4433/3.9=4...(6) HB2 MET 21 - H PHE 57 lone 4 63 - 7 - 4.2/6155=2, 3842/4.6=1 HA ALA 75 - H ASN 18 lone 3 36 - 7 - 2.1/5747=3 HB2 LEU 23 - H ASN 18 lone 3 47 - 6 - 1588/4.9=2, 1588/4.9=1 Peak 5265 from nnoeabs.peaks (1.78, 8.64, 119.55 ppm; 4.10 A): 8 out of 30 assignments used, quality = 0.90: QB ALA 74 + H GLN 58 OK 72 99 - 73 - 5735=39, 5730/4.5=16...(7) HB2 MET 48 + H GLN 58 OK 24 97 - 25 - 4911/4.7=9, 4.0/198=8 HG3 GLU 37 + H GLN 58 OK 16 100 - 16 - 3.8/5268=7, 4911/4.7=3...(4) HB2 ARG 27 + H GLN 58 OK 13 99 - 13 - 5253/4.7=3, 4669/4.5=3...(5) HB2 MET 48 + H VAL 47 OK 13 41 - 32 - 4.0/198=11, ~4830=7...(9) HD3 LYS 78 + H GLN 58 OK 11 100 - 11 - 4669/4.5=4, 5253/4.7=2 HG3 GLU 37 + H VAL 47 OK 11 44 - 24 - 3.8/5268=13, 2416/4.7=6...(4) QE MET 11 + H GLN 58 OK 10 93 - 11 - 3.4/779=1, 4.3/777=1...(6) QB ALA 74 - H VAL 47 poor 7 43 - 17 - 5735=7, 5730/4648=2...(5) HG2 GLU 51 - H GLN 58 poor 7 71 - 10 - 5080/3.6=2, 5091/4.6=2 HG3 GLU 51 - H GLN 58 poor 7 68 - 10 - 5080/3.6=2, 5091/4.6=2 HG LEU 76 - H GLN 58 lone 7 71 - 10 - 2.1/5267=4, 3.0/776=1 HB2 ARG 28 - H GLN 58 lone 7 100 - 7 - 5253/4.7=2, 4669/4.5=1 HB3 ARG 28 - H GLN 58 lone 6 90 - 7 - 5253/4.7=2, 4669/4.5=1 HB2 LYS 31 - H GLN 58 lone 5 100 - 5 - 4604/5044=1 HB2 LYS 65 - H GLN 58 lone 4 100 - 4 - HB2 LEU 73 - H GLN 58 lone 4 60 - 6 - 5319/4.7=1 HB2 LYS 91 - H GLN 58 lone 2 97 - 2 - HB2 ARG 27 - H VAL 47 lone 2 43 - 5 - 1773/4771=1 HD3 LYS 78 - H VAL 47 lone 2 45 - 4 - HB2 LYS 65 - H VAL 47 lone 2 44 - 4 - 716/4.7=1 HG LEU 76 - H VAL 47 lone 1 26 - 6 - 716/4.7=1, ~2391=1 QE MET 11 - H VAL 47 lone 1 38 - 3 - HB2 LYS 31 - H VAL 47 lone 1 45 - 3 - HB2 ARG 28 - H VAL 47 lone 1 45 - 2 - HB2 LEU 73 - H VAL 47 lone 1 21 - 4 - HB2 LYS 91 - H VAL 47 lone 1 42 - 2 - HB3 ARG 28 - H VAL 47 lone 1 36 - 2 - HG2 GLU 51 - H VAL 47 lone 1 26 - 3 - HG3 GLU 51 - H VAL 47 lone 1 25 - 3 - Peak 5266 from nnoeabs.peaks (1.52, 8.64, 119.55 ppm; 4.79 A): 3 out of 32 assignments used, quality = 0.97: QB ALA 71 + H GLN 58 OK 88 100 - 88 - 5639/3.0=42, 5623/4.7=31...(18) HB2 LYS 56 + H GLN 58 OK 49 78 - 63 - 4.6/989=18, 3.0/258=10...(18) HD2 LYS 56 + H GLN 58 OK 48 98 - 49 - 3.0/260=7, 3.0/260=7...(16) HG LEU 34 - H GLN 58 OK 43 99 - 44 - 2.1/4682=11, 2.1/4687=8...(12) HG LEU 34 - H VAL 47 OK 23 43 - 54 - 2.1/4687=24, 2.1/4682=18...(8) HG3 ARG 27 - H GLN 58 OK 21 100 - 21 - 1796/4.7=3, 3.0/259=3...(8) HD3 LYS 17 - H GLN 58 OK 20 93 - 21 - 5315/4.7=3, 5269/3.0=2...(9) HD2 LYS 17 - H GLN 58 OK 20 93 - 21 - 5315/4.7=3, 5269/3.0=2...(9) HD3 LYS 64 - H GLN 58 OK 20 100 - 20 - 2.9/5267=4, 5269/3.0=2...(6) HG2 GLU 37 - H GLN 58 OK 17 81 - 22 - 3.8/5268=9, 1.8/5265=3...(4) QB ALA 72 - H GLN 58 OK 16 57 - 27 - 5696/4.5=9, ~5272=4...(6) QB ALA 71 - H VAL 47 OK 16 45 - 35 - 5623/263=7, 5639/2729=6...(7) HB3 LYS 26 - H GLN 58 OK 14 100 - 14 - 5315/4.7=2, 5269/3.0=1 HB2 LEU 85 - H GLN 58 OK 12 97 - 12 - 5269/3.0=1, 5315/4.7=1...(4) HB3 LYS 26 - H VAL 47 poor 9 44 - 21 - 4516/4.8=6, ~4829=4...(6) HG2 GLU 37 - H VAL 47 poor 9 31 - 29 - 3.8/5268=18, 4843/4.7=3...(6) HB3 LYS 44 - H GLN 58 poor 9 87 - 10 - 253/4.6=2 HD3 LYS 64 - H VAL 47 poor 9 45 - 19 - 5447/4.8=8, 2.9/5267=3...(4) HG LEU 30 - H GLN 58 lone 9 89 - 10 - 4583/5044=2, 253/4.6=1 HB3 LEU 87 - H GLN 58 lone 8 98 - 8 - HB2 ARG 45 - H GLN 58 lone 7 93 - 7 - HB2 LYS 56 - H VAL 47 poor 7 30 - 24 - 4.6/989=6, 2623/4682=2...(7) HD2 LYS 56 - H VAL 47 poor 7 42 - 16 - 3.0/4002=2, 2663/4682=1...(4) HD3 LYS 17 - H VAL 47 poor 5 38 - 13 - 3.0/4687=4, 4843/4.7=2 HD2 LYS 17 - H VAL 47 poor 5 38 - 13 - 3.0/4687=4, 4843/4.7=2 HG3 ARG 27 - H VAL 47 poor 5 44 - 11 - 1797/4771=2, 4843/4.7=1 HB2 LEU 85 - H VAL 47 lone 3 42 - 7 - HB3 LYS 44 - H VAL 47 lone 3 34 - 8 - 2266/4769=2, 4.0/5969=1 HB2 ARG 45 - H VAL 47 lone 3 38 - 7 - ~4829=3 HB3 LEU 87 - H VAL 47 lone 2 42 - 4 - QB ALA 72 - H VAL 47 lone 1 20 - 7 - HG LEU 30 - H VAL 47 lone 1 35 - 3 - Peak 5267 from nnoeabs.peaks (0.70, 8.64, 119.55 ppm; 5.75 A): 2 out of 6 assignments used, quality = 0.95: QG1 VAL 50 + H GLN 58 OK 90 100 - 91 - 5038/4.5=37, 5035/3.0=33...(13) QD2 LEU 76 + H GLN 58 OK 45 90 - 49 - 4673/4.5=13, 5256/4.7=13...(11) HG3 LYS 64 - H GLN 58 OK 35 99 - 35 - 5256/4.7=5, 4673/4.5=5...(15) HG3 LYS 64 - H VAL 47 OK 22 44 - 50 - 5443/4.8=18, 5437/4.2=18...(5) QG1 VAL 50 - H VAL 47 OK 16 45 - 36 - 5034/4930=5, 5035/2729=5...(14) QD2 LEU 76 - H VAL 47 OK 11 36 - 31 - 5787/4.8=11, 6085/4.2=8...(8) Peak 5268 from nnoeabs.peaks (4.82, 8.64, 119.55 ppm; 4.38 A): 0 out of 4 assignments used, low quality = 0.33: HA GLU 37 - H VAL 47 OK 23 44 - 52 - 6055/3.6=33, 6056/4.2=19...(5) HA GLU 37 - H GLN 58 OK 12 100 - 12 - 6195/4682=3, 6055/3948=2...(5) HA ASN 18 - H GLN 58 lone 5 60 - 8 - 3.0/257=3, ~5245=2, 1419/4.6=2 HA ASN 18 - H VAL 47 lone 1 21 - 2 - 3.0/989=1 Peak 5299 from nnoeabs.peaks (5.68, 8.64, 119.55 ppm; 5.21 A): 1 out of 2 assignments used, quality = 0.96: HA GLU 49 + H GLN 58 OK 96 98 - 98 - 4946/3.0=47, 5336/4.7=34...(18) HA GLU 49 - H VAL 47 OK 22 42 - 52 - 4930=11, 4946/2729=8...(13) Peak 5300 from nnoeabs.peaks (5.68, 8.21, 111.23 ppm; 5.48 A): 1 out of 1 assignment used, quality = 0.96: HA GLU 49 + HE21 GLN 58 OK 96 98 - 98 - 5294/3.5=42, 5295/3.5=39...(20) Peak 5301 from nnoeabs.peaks (5.69, 6.56, 111.23 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.82: HA GLU 49 + HE22 GLN 58 OK 82 83 - 99 - 5300/1.7=44, 5294/3.5=43...(19) Peak 5302 from nnoeabs.peaks (2.03, 8.21, 111.23 ppm; 3.82 A): 2 out of 8 assignments used, quality = 0.96: HB3 GLU 49 + HE21 GLN 58 OK 82 96 - 86 - 3.0/5300=16, 4938=14...(22) HG2 GLU 49 + HE21 GLN 58 OK 75 93 - 81 - 4973/3.5=21, 3.7/5300=15...(17) HB2 GLN 55 - HE21 GLN 58 OK 14 99 - 14 - 3987=2, 3.0/3986=2...(6) HG3 GLN 55 - HE21 GLN 58 OK 13 99 - 13 - 3990=2, 3.8/3986=2...(6) HB2 MET 21 - HE21 GLN 58 poor 10 63 - 15 - 1.8/3843=3, 2.9/3844=2...(7) HB2 LEU 23 - HE21 GLN 58 lone 8 93 - 9 - 3.9/71=2, 4.6/1032=1 QE MET 21 - HE21 GLN 58 poor 8 68 - 12 - 3.4/3844=2, 3.4/3845=2...(6) HA ALA 75 - HE21 GLN 58 lone 6 78 - 8 - 5746=2, 2.1/5744=1 Peak 5303 from nnoeabs.peaks (1.51, 8.21, 111.23 ppm; 4.56 A): 3 out of 16 assignments used, quality = 0.92: HB2 LYS 56 + HE21 GLN 58 OK 69 96 - 72 - 1.8/2629=12, 2619=11...(23) HD2 LYS 56 + HE21 GLN 58 OK 54 85 - 64 - 1.8/2669=10, 3.4/2629=9...(21) QB ALA 71 + HE21 GLN 58 OK 48 99 - 48 - 5639/5.6=21...(8) HD2 LYS 17 - HE21 GLN 58 OK 24 100 - 24 - 5308/1.7=2, 5276/3.5=2...(12) HD3 LYS 17 - HE21 GLN 58 OK 24 100 - 24 - 5308/1.7=2, 5276/3.5=2...(12) HG LEU 34 - HE21 GLN 58 OK 21 100 - 21 - 5308/1.7=2, 5276/3.5=2...(9) HB2 LEU 85 - HE21 GLN 58 OK 18 100 - 17 - 3.1/5306=2, 5308/1.7=2...(6) HB3 LYS 44 - HE21 GLN 58 OK 15 63 - 24 - 2.9/5305=5, 2.9/5304=3...(9) QB ALA 72 - HE21 GLN 58 OK 13 83 - 15 - 5269/5.6=2, 5276/3.5=1...(4) HD3 LYS 64 - HE21 GLN 58 OK 11 97 - 11 - 3.8/5304=1, 5276/3.5=1 HB2 ARG 45 - HE21 GLN 58 OK 10 100 - 10 - 2.9/5305=2, ~5310=1, 5308/1.7=1 HB3 LYS 26 - HE21 GLN 58 lone 9 100 - 9 - HB3 LEU 87 - HE21 GLN 58 lone 9 85 - 10 - HG3 ARG 27 - HE21 GLN 58 lone 8 100 - 8 - HG2 GLU 37 - HE21 GLN 58 lone 8 97 - 8 - HG LEU 30 - HE21 GLN 58 lone 2 65 - 4 - Peak 5304 from nnoeabs.peaks (1.37, 8.21, 111.23 ppm; 4.38 A): 5 out of 12 assignments used, quality = 0.94: HB3 LYS 56 + HE21 GLN 58 OK 67 97 - 69 - 2629=12, 1.8/2619=11...(22) HD3 LYS 56 + HE21 GLN 58 OK 42 71 - 59 - 3.4/2619=8, 3.4/2629=8...(17) HB3 LEU 12 + HE21 GLN 58 OK 37 99 - 38 - 3.1/5307=9, ~5312=6...(9) HG2 LYS 68 + HE21 GLN 58 OK 31 100 - 31 - 5309/1.7=5, ~5311=4...(9) HG2 LYS 44 + HE21 GLN 58 OK 23 100 - 23 - 1.8/5305=6, ~5310=3...(8) QB ALA 67 - HE21 GLN 58 lone 10 100 - 10 - 5277/3.5=2, 5309/1.7=1 HB2 LYS 64 - HE21 GLN 58 lone 9 99 - 9 - 5309/1.7=1, 5277/3.5=1 QB ALA 69 - HE21 GLN 58 poor 9 89 - 10 - 5309/1.7=1, 5277/3.5=1 HG2 LYS 91 - HE21 GLN 58 lone 4 89 - 5 - HG3 LYS 91 - HE21 GLN 58 lone 4 89 - 5 - QB ALA 86 - HE21 GLN 58 lone 3 65 - 5 - 2.9/1014=1 QB ALA 89 - HE21 GLN 58 lone 3 96 - 3 - Peak 5305 from nnoeabs.peaks (1.16, 8.21, 111.23 ppm; 4.32 A): 2 out of 3 assignments used, quality = 0.92: HG12 ILE 35 + HE21 GLN 58 OK 90 92 - 98 - 2.1/5307=33, 5310/1.7=29...(31) HG3 LYS 44 + HE21 GLN 58 OK 16 83 - 19 - 5310/1.7=4, 1.8/5304=4...(8) HG2 ARG 45 - HE21 GLN 58 lone 7 92 - 8 - 5310/1.7=2 Peak 5306 from nnoeabs.peaks (0.83, 8.21, 111.23 ppm; 3.71 A): 2 out of 8 assignments used, quality = 0.97: QG2 ILE 35 + HE21 GLN 58 OK 93 100 - 94 - 4709/1.7=31, 3.1/5307=21...(33) QG1 VAL 47 + HE21 GLN 58 OK 52 99 - 53 - 6193/3.5=13, 5975/5.6=7...(15) QG2 VAL 47 - HE21 GLN 58 OK 43 96 - 45 - ~6193=8, 6193/3.5=7...(14) HG3 LYS 68 - HE21 GLN 58 OK 18 68 - 27 - 5311/1.7=4, 1.8/5304=4...(11) QD2 LEU 85 - HE21 GLN 58 OK 11 99 - 11 - 3.1/5303=1, 5311/1.7=1 QD2 LEU 73 - HE21 GLN 58 lone 8 97 - 8 - QD2 LEU 87 - HE21 GLN 58 lone 5 92 - 5 - HD2 LYS 26 - HE21 GLN 58 lone 2 81 - 3 - Peak 5307 from nnoeabs.peaks (0.65, 8.21, 111.23 ppm; 3.59 A): 1 out of 2 assignments used, quality = 0.94: QD1 ILE 35 + HE21 GLN 58 OK 94 99 - 95 - 4721/1.7=31, 4718=28...(33) QD2 LEU 12 - HE21 GLN 58 OK 31 89 - 35 - 5312/1.7=9, 5280/3.5=6...(11) Peak 5308 from nnoeabs.peaks (1.52, 6.56, 111.23 ppm; 5.03 A): 3 out of 16 assignments used, quality = 0.94: HB2 LYS 56 + HE22 GLN 58 OK 66 89 - 74 - 1.8/5309=11, 2619/1.7=11...(22) HD2 LYS 56 + HE22 GLN 58 OK 63 93 - 68 - ~2669=9, 3.4/5309=9...(22) QB ALA 71 + HE22 GLN 58 OK 53 100 - 53 - 5639/5.6=26...(8) HD2 LYS 17 - HE22 GLN 58 OK 21 98 - 21 - 5303/1.7=3, ~5303=2...(9) HD3 LYS 17 - HE22 GLN 58 OK 21 98 - 21 - 5303/1.7=3, ~5303=2...(9) HG LEU 34 - HE22 GLN 58 OK 20 100 - 21 - 2.1/5313=3, 5303/1.7=3...(9) HB3 LYS 44 - HE22 GLN 58 OK 19 76 - 25 - 2.9/5310=5, ~5305=4...(9) HB2 LEU 85 - HE22 GLN 58 OK 18 100 - 18 - 5303/1.7=2, 5281/3.5=2...(7) HB2 ARG 45 - HE22 GLN 58 OK 11 98 - 11 - 2.9/5310=2, ~5305=2, 5303/1.7=1 HD3 LYS 64 - HE22 GLN 58 OK 10 99 - 10 - 5303/1.7=1, 5281/3.5=1...(5) HB3 LEU 87 - HE22 GLN 58 lone 9 93 - 10 - 3633/1.7=1 HB3 LYS 26 - HE22 GLN 58 lone 8 100 - 8 - 5303/1.7=1 QB ALA 72 - HE22 GLN 58 poor 8 71 - 12 - 5269/5.6=2, 5303/1.7=2...(5) HG3 ARG 27 - HE22 GLN 58 lone 7 100 - 7 - 5303/1.7=1 HG2 GLU 37 - HE22 GLN 58 lone 7 90 - 8 - HG LEU 30 - HE22 GLN 58 lone 3 78 - 3 - Peak 5309 from nnoeabs.peaks (1.37, 6.56, 111.23 ppm; 4.71 A): 4 out of 11 assignments used, quality = 0.94: HB3 LYS 56 + HE22 GLN 58 OK 67 100 - 67 - 2629/1.7=12, ~2619=9...(19) HD3 LYS 56 + HE22 GLN 58 OK 48 83 - 59 - 2669/1.7=9, ~2629=7...(19) HB3 LEU 12 + HE22 GLN 58 OK 41 100 - 41 - 3.1/5312=10, ~5307=7...(9) HG2 LYS 68 + HE22 GLN 58 OK 37 100 - 37 - 1.8/5311=6, 5304/1.7=5...(12) HG2 LYS 44 - HE22 GLN 58 OK 24 100 - 24 - 1.8/5310=5, ~5305=5...(8) QB ALA 67 - HE22 GLN 58 OK 11 100 - 11 - 5277/3.5=2, 5304/1.7=2...(4) QB ALA 69 - HE22 GLN 58 lone 9 96 - 10 - 5304/1.7=2, 5277/3.5=1 HB2 LYS 64 - HE22 GLN 58 lone 9 97 - 9 - 5304/1.7=2, 5277/3.5=1 HG2 LYS 91 - HE22 GLN 58 lone 4 78 - 6 - HG3 LYS 91 - HE22 GLN 58 lone 4 78 - 6 - QB ALA 89 - HE22 GLN 58 lone 3 89 - 3 - Peak 5310 from nnoeabs.peaks (1.15, 6.56, 111.23 ppm; 4.61 A): 1 out of 3 assignments used, quality = 0.96: HG12 ILE 35 + HE22 GLN 58 OK 96 97 - 99 - 2.1/4721=44, 3.2/4709=34...(29) HG3 LYS 44 - HE22 GLN 58 OK 15 71 - 21 - 5305/1.7=6, 1.8/5309=4...(8) HG2 ARG 45 - HE22 GLN 58 lone 6 83 - 8 - 5305/1.7=3 Peak 5311 from nnoeabs.peaks (0.81, 6.56, 111.23 ppm; 3.70 A): 2 out of 8 assignments used, quality = 0.95: QG2 ILE 35 + HE22 GLN 58 OK 90 97 - 93 - 4709=33, 3.1/4721=25...(30) QG1 VAL 47 + HE22 GLN 58 OK 51 98 - 52 - 6193/3.5=13, 5975/5.6=7...(15) QG2 VAL 47 - HE22 GLN 58 OK 28 63 - 45 - ~6193=8, 6193/3.5=7...(14) HG3 LYS 68 - HE22 GLN 58 OK 27 97 - 28 - 1.8/5309=3, 5279/3.5=3...(13) QD2 LEU 79 - HE22 GLN 58 poor 10 63 - 16 - 3412/1.7=2, ~3405=2...(6) QD2 LEU 85 - HE22 GLN 58 lone 7 73 - 10 - 5306/1.7=1 QD2 LEU 73 - HE22 GLN 58 lone 5 65 - 7 - 5306/1.7=1 QD1 LEU 23 - HE22 GLN 58 lone 4 71 - 5 - Peak 5312 from nnoeabs.peaks (0.65, 6.56, 111.23 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.95: QD1 ILE 35 + HE22 GLN 58 OK 95 99 - 96 - 4721=41, 5307/1.7=29...(29) QD2 LEU 12 - HE22 GLN 58 OK 32 89 - 36 - 5307/1.7=10, 5280/3.5=6...(11) Peak 5313 from nnoeabs.peaks (1.24, 6.56, 111.23 ppm; 5.35 A): 1 out of 9 assignments used, quality = 0.98: HG13 ILE 35 + HE22 GLN 58 OK 98 98 - 100 - 2.1/4721=49, 3.2/4709=42...(30) HD3 LYS 68 - HE22 GLN 58 OK 38 96 - 39 - 3.0/5309=6, 3.0/5311=6...(12) HD2 LYS 68 - HE22 GLN 58 OK 37 95 - 39 - 3.0/5309=6, 3.0/5311=6...(12) HB2 LEU 79 - HE22 GLN 58 OK 28 95 - 30 - 3384/1.7=5, ~3391=4...(8) QD1 LEU 34 - HE22 GLN 58 OK 20 78 - 26 - 2129/4709=4, 4687/6.6=4...(9) HG2 LYS 17 - HE22 GLN 58 OK 19 100 - 19 - 3.0/5308=2, 3.0/5308=2...(9) HB3 LEU 23 - HE22 GLN 58 lone 7 81 - 9 - ~5302=2 QG2 THR 83 - HE22 GLN 58 lone 4 68 - 6 - 5941/1.7=2 HG3 LYS 65 - HE22 GLN 58 lone 2 71 - 3 - Peak 5314 from nnoeabs.peaks (2.00, 6.56, 111.23 ppm; 4.26 A): 2 out of 10 assignments used, quality = 0.97: HB3 GLU 49 + HE22 GLN 58 OK 83 92 - 91 - 4938/1.7=16, ~5300=16...(22) HG2 GLU 49 + HE22 GLN 58 OK 81 95 - 86 - 4973/3.5=26, ~4984=16...(17) HG2 PRO 84 - HE22 GLN 58 OK 38 99 - 39 - 2.3/511=7, 3558/3.5=6...(14) HB2 LYS 78 - HE22 GLN 58 OK 24 98 - 24 - 4088/1.7=4, ~4089=4...(8) HB3 PRO 19 - HE22 GLN 58 OK 17 85 - 20 - ~4142=5, ~500=2...(8) HE3 LYS 68 - HE22 GLN 58 OK 16 90 - 17 - 3.7/5311=4, 3.7/5309=3...(4) HB2 PRO 19 - HE22 GLN 58 OK 15 76 - 20 - ~4142=5, ~500=2...(8) HB2 LEU 34 - HE22 GLN 58 OK 14 99 - 14 - 4744/4721=2, 3.1/5313=2...(6) HB2 LEU 23 - HE22 GLN 58 lone 5 95 - 6 - HB2 GLU 25 - HE22 GLN 58 lone 2 97 - 2 - Peak 5315 from nnoeabs.peaks (1.52, 8.84, 107.36 ppm; 3.17 A): 6 out of 16 assignments used, quality = 0.92: QB ALA 71 + H GLY 59 OK 83 100 - 83 - 5623=38, 2.1/5626=19...(18) HD3 LYS 17 + H GLY 59 OK 18 93 - 20 - 5328/3.0=2, 5322/3.0=2...(9) HD2 LYS 17 + H GLY 59 OK 18 93 - 20 - 5328/3.0=2, 5322/3.0=2...(9) QB ALA 72 + H GLY 59 OK 15 57 - 26 - 4.2/5623=15, 2.1/5318=3...(7) HB3 LYS 26 + H GLY 59 OK 11 100 - 11 - 5322/3.0=1 HG LEU 34 + H GLY 59 OK 10 99 - 10 - 4843/5337=2, 5269/3.6=1 HD2 LYS 56 - H GLY 59 poor 10 98 - 10 - 5269/3.6=2 HB2 LYS 56 - H GLY 59 poor 9 78 - 12 - 5269/3.6=2, 5223/3.0=1 HG3 ARG 27 - H GLY 59 lone 9 100 - 9 - 2.9/5319=1 HB2 LEU 85 - H GLY 59 lone 8 97 - 8 - 4.0/991=1, 3.1/5317=1 HD3 LYS 64 - H GLY 59 lone 8 100 - 8 - 3.8/5316=1 HG2 GLU 37 - H GLY 59 lone 7 81 - 8 - 1.8/4911=2 HB2 ARG 45 - H GLY 59 lone 6 93 - 7 - 2.9/5316=1 HG LEU 30 - H GLY 59 lone 4 89 - 5 - HB3 LEU 87 - H GLY 59 lone 4 98 - 4 - HB3 LYS 44 - H GLY 59 lone 3 87 - 4 - Peak 5316 from nnoeabs.peaks (1.35, 8.84, 107.36 ppm; 4.79 A): 5 out of 11 assignments used, quality = 0.65: QB ALA 67 + H GLY 59 OK 28 73 - 38 - 5493/5337=14...(11) HB VAL 50 + H GLY 59 OK 26 78 - 33 - 2.1/5041=11, 5032/5336=7...(6) HG2 LYS 68 + H GLY 59 OK 15 81 - 18 - ~5330=2, 4897/4910=2...(9) HB2 LYS 64 + H GLY 59 OK 14 92 - 15 - 2827/4.6=2, 4897/4910=2...(5) HG3 ARG 45 + H GLY 59 OK 10 60 - 17 - 5329/3.0=3, 5323/3.0=3...(8) HG2 LYS 91 - H GLY 59 lone 9 100 - 9 - 5329/3.0=1, 5323/3.0=1...(4) HG3 LYS 91 - H GLY 59 lone 9 100 - 9 - 5329/3.0=1, 5323/3.0=1...(4) QB ALA 89 - H GLY 59 lone 6 98 - 6 - 2.9/5338=1, ~5332=1 HG2 LYS 44 - H GLY 59 lone 6 76 - 8 - HB3 LEU 12 - H GLY 59 lone 5 60 - 8 - 5283/4009=2, 5277/267=1 QB ALA 86 - H GLY 59 lone 5 99 - 5 - Peak 5317 from nnoeabs.peaks (0.83, 8.84, 107.36 ppm; 3.48 A): 4 out of 7 assignments used, quality = 0.93: QG1 VAL 47 + H GLY 59 OK 67 95 - 70 - 4.3/5337=18, 5978=18...(17) QG2 VAL 47 + H GLY 59 OK 66 99 - 66 - 4.3/5337=18, 2.1/5978=17...(16) QG2 ILE 35 + H GLY 59 OK 31 97 - 32 - 2.1/266=5, 5287/4.3=5...(13) QD2 LEU 73 + H GLY 59 OK 10 100 - 10 - 3.1/5319=1, 5357/4.6=1 QD2 LEU 85 - H GLY 59 lone 9 100 - 9 - 3606/4.6=1, 4.7/991=1 HD2 LYS 26 - H GLY 59 lone 6 92 - 6 - 3.6/5315=1 QD2 LEU 87 - H GLY 59 lone 4 98 - 4 - Peak 5318 from nnoeabs.peaks (3.97, 8.84, 107.36 ppm; 3.99 A): 4 out of 7 assignments used, quality = 0.95: HA ALA 71 + H GLY 59 OK 91 100 - 91 - 2.1/5623=41, 5626=39...(14) HA ALA 72 + H GLY 59 OK 23 99 - 23 - 3153/5623=4, 6045/3.0=4...(8) HA PRO 19 + H GLY 59 OK 13 87 - 15 - 5272/3.6=3, 2.3/265=2...(5) HA3 GLY 16 + H GLY 59 OK 13 100 - 13 - 6045/3.0=4, 3.0/991=2...(6) HA GLU 25 - H GLY 59 lone 6 100 - 6 - 3153/5623=1 HA LEU 76 - H GLY 59 lone 5 60 - 8 - 2.9/265=1, 5789/5335=1 HB3 SER 62 - H GLY 59 lone 2 83 - 2 - Peak 5319 from nnoeabs.peaks (1.77, 8.84, 107.36 ppm; 4.24 A): 7 out of 14 assignments used, quality = 0.92: HB3 MET 48 + H GLY 59 OK 58 92 - 63 - 4.0/5337=30, 4910=18...(8) HB2 MET 48 + H GLY 59 OK 40 65 - 61 - 4.0/5337=30, 1.8/4910=19...(8) QB ALA 74 + H GLY 59 OK 39 98 - 40 - 5735/4.7=18, 5736=12...(6) QE MET 11 + H GLY 59 OK 17 100 - 17 - 5327/3.0=2, 3.4/268=2...(6) HB2 LEU 73 + H GLY 59 OK 16 95 - 17 - 5659/5623=2, 5327/3.0=2...(7) HB2 ARG 27 + H GLY 59 OK 16 98 - 16 - 5659/5623=3, 4212/5626=2...(6) HG3 GLU 37 + H GLY 59 OK 12 81 - 15 - 4911=3, 2416/5337=3...(5) HB3 ARG 28 - H GLY 59 lone 9 100 - 9 - 5659/5623=2, 4212/5626=2...(4) HB3 GLN 55 - H GLY 59 lone 7 89 - 8 - 5327/3.0=2, 5659/5623=1 HB2 ARG 28 - H GLY 59 lone 5 83 - 6 - 4212/5626=2, 5646/5621=1 HD3 LYS 78 - H GLY 59 lone 5 89 - 6 - HB2 LYS 91 - H GLY 59 lone 5 68 - 7 - 3.0/5316=2, 3.0/5316=2 HB2 LYS 31 - H GLY 59 lone 4 83 - 5 - HB2 LYS 65 - H GLY 59 lone 3 81 - 4 - Peak 5335 from nnoeabs.peaks (5.06, 8.84, 107.36 ppm; 4.35 A): 2 out of 2 assignments used, quality = 0.78: HA VAL 47 + H GLY 59 OK 75 97 - 77 - 3.5/5337=35, 3.2/5978=21...(12) HA PHE 80 + H GLY 59 OK 14 99 - 14 - 5352/4.6=4, 199/5337=3...(4) Peak 5336 from nnoeabs.peaks (5.68, 8.84, 107.36 ppm; 3.82 A): 1 out of 1 assignment used, quality = 0.73: HA GLU 49 + H GLY 59 OK 73 97 - 75 - 4946/3.6=28, 4929=25...(12) Peak 5337 from nnoeabs.peaks (9.23, 8.84, 107.36 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.81: H MET 48 + H GLY 59 OK 81 100 - 82 - 4903=46, 4899/3.6=16...(17) Peak 5338 from nnoeabs.peaks (8.14, 8.84, 107.36 ppm; 4.55 A): 1 out of 4 assignments used, quality = 0.94: H ALA 71 + H GLY 59 OK 94 99 - 96 - 5621=43, 2.9/5623=42...(15) H ARG 27 - H GLY 59 poor 10 78 - 12 - 4555/5626=2, 3152/5623=2...(5) H LEU 30 - H GLY 59 poor 9 71 - 12 - 3152/5623=4, 5331/3.0=3...(4) H ALA 89 - H GLY 59 lone 4 63 - 7 - 5331/3.0=2, 2.9/5316=2 Peak 5339 from nnoeabs.peaks (7.34, 8.31, 123.52 ppm; 4.12 A): 3 out of 5 assignments used, quality = 0.80: QD TYR 70 + H ALA 60 OK 71 97 - 73 - 2.5/5355=29, 2.5/5354=25...(12) QE PHE 46 + H ALA 60 OK 21 100 - 21 - ~5348=4, 5347/2.9=3...(7) HZ PHE 46 + H ALA 60 OK 11 83 - 14 - 5347/2.9=4, ~5347=3...(5) H ALA 75 - H ALA 60 lone 8 83 - 10 - 1007/4.6=3, 4.6/992=2...(4) H GLU 25 - H ALA 60 lone 2 73 - 2 - Peak 5352 from nnoeabs.peaks (5.04, 8.31, 123.52 ppm; 4.84 A): 2 out of 2 assignments used, quality = 0.95: HA VAL 47 + H ALA 60 OK 93 100 - 93 - 5981/3.0=43, 5350/2.9=34...(15) HA PHE 80 + H ALA 60 OK 30 100 - 30 - 5350/2.9=10, 5351/3.0=9...(5) Peak 5353 from nnoeabs.peaks (3.81, 8.31, 123.52 ppm; 4.23 A): 3 out of 4 assignments used, quality = 0.88: HA ALA 67 + H ALA 60 OK 77 99 - 78 - 5487/3.0=32, ~5495=21...(14) HD2 PRO 84 + H ALA 60 OK 35 99 - 35 - 5360/3.0=6, 5366/2.9=5...(12) HD3 PRO 19 + H ALA 60 OK 20 90 - 23 - 5360/3.0=4, 5366/2.9=4...(7) HA2 GLY 29 - H ALA 60 lone 2 76 - 3 - Peak 5354 from nnoeabs.peaks (3.33, 8.31, 123.52 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.80: HB3 TYR 70 + H ALA 60 OK 69 98 - 71 - 1.8/5355=28, 2.5/5339=17...(12) HB2 HIS 15 + H ALA 60 OK 36 100 - 36 - 5325/3.5=8, 5320/3.5=7...(9) Peak 5355 from nnoeabs.peaks (2.99, 8.31, 123.52 ppm; 3.71 A): 1 out of 5 assignments used, quality = 0.65: HB2 TYR 70 + H ALA 60 OK 65 97 - 67 - 1.8/5354=25, 2.5/5339=17...(13) HE3 LYS 31 - H ALA 60 lone 6 71 - 9 - ~5367=1, 5321/3.5=1...(4) HE2 LYS 31 - H ALA 60 lone 6 68 - 8 - ~5367=1, 3.6/787=1...(4) HE3 LYS 91 - H ALA 60 lone 3 60 - 5 - HE2 LYS 91 - H ALA 60 lone 3 60 - 5 - Peak 5356 from nnoeabs.peaks (1.53, 8.31, 123.52 ppm; 5.10 A): 10 out of 15 assignments used, quality = 0.92: QB ALA 71 + H ALA 60 OK 58 98 - 59 - 5623/4.6=34, 5322/3.5=12...(8) HB3 LYS 26 + H ALA 60 OK 23 97 - 23 - 1.8/787=3, ~2777=3...(9) HB2 LEU 85 + H ALA 60 OK 23 90 - 25 - 3.1/3606=4, 3578=3...(12) HD3 LYS 64 + H ALA 60 OK 20 100 - 20 - 3.8/2827=3, 2.9/2847=2...(9) HB3 LYS 44 + H ALA 60 OK 17 96 - 18 - ~5364=3, 4796/5339=2...(7) HB2 ARG 45 + H ALA 60 OK 16 83 - 20 - ~5364=5, 2.9/787=3...(7) HD3 LYS 17 + H ALA 60 OK 15 83 - 19 - 5328/3.5=4, 5322/3.5=4...(5) HD2 LYS 17 + H ALA 60 OK 15 83 - 19 - 5328/3.5=4, 5322/3.5=4...(5) HB3 LEU 87 + H ALA 60 OK 15 100 - 15 - 3.1/3606=2, 3578=2...(5) HG LEU 34 + H ALA 60 OK 11 93 - 12 - 2.1/4683=3, 5315/4.6=2 HD2 LYS 56 - H ALA 60 lone 9 100 - 9 - 5315/4.6=2, 5322/3.5=1 HG3 ARG 27 - H ALA 60 lone 9 97 - 9 - 5315/4.6=1, 5322/3.5=1...(4) HG2 GLU 37 - H ALA 60 poor 8 65 - 12 - 1.8/2188=1, 5322/3.5=1...(6) HG LEU 30 - H ALA 60 lone 6 97 - 7 - 5603/5355=2 HB2 LYS 56 - H ALA 60 lone 6 63 - 10 - 5223/3.5=2, 5315/4.6=1 Peak 5357 from nnoeabs.peaks (0.83, 8.31, 123.52 ppm; 4.23 A): 2 out of 7 assignments used, quality = 0.97: QG2 VAL 47 + H ALA 60 OK 85 99 - 86 - 5972/3.0=23, 3.2/5352=19...(17) QG1 VAL 47 + H ALA 60 OK 81 95 - 86 - 3.2/5352=19, 5974/3.0=17...(17) QG2 ILE 35 - H ALA 60 OK 28 97 - 29 - ~5368=4, 5317/4.6=4...(10) QD2 LEU 85 - H ALA 60 OK 22 100 - 22 - 3606=4, 3.1/3578=2...(11) QD2 LEU 73 - H ALA 60 OK 22 100 - 22 - 5707/5339=6, 5708/4682=2...(9) HD2 LYS 26 - H ALA 60 OK 18 92 - 19 - 5369/2.9=3, 3.6/787=2...(7) QD2 LEU 87 - H ALA 60 OK 14 98 - 14 - 3606=3, 3.1/5356=1...(6) Peak 5371 from nnoeabs.peaks (1.37, 8.53, 103.24 ppm; 3.49 A): 3 out of 11 assignments used, quality = 0.80: QB ALA 67 + H GLY 61 OK 73 100 - 73 - 5492=32, 5495/3.6=22...(11) QB ALA 69 + H GLY 61 OK 17 96 - 18 - 5583/5372=3, ~5384=3...(7) HG2 LYS 68 + H GLY 61 OK 12 100 - 12 - 6046/3.6=3, 2.9/276=2 HB2 LYS 64 - H GLY 61 poor 10 97 - 10 - 6046/3.6=2, 4.0/274=2 HG2 LYS 44 - H GLY 61 lone 7 100 - 7 - 6046/3.6=1 HB3 LEU 12 - H GLY 61 lone 4 100 - 4 - HB3 LYS 56 - H GLY 61 lone 3 100 - 3 - HG2 LYS 91 - H GLY 61 lone 3 78 - 4 - HG3 LYS 91 - H GLY 61 lone 3 78 - 4 - HD3 LYS 56 - H GLY 61 lone 2 83 - 2 - QB ALA 89 - H GLY 61 lone 1 89 - 1 - Peak 5372 from nnoeabs.peaks (1.13, 8.53, 103.24 ppm; 4.78 A): 2 out of 3 assignments used, quality = 0.77: QG1 VAL 66 + H GLY 61 OK 65 93 - 70 - 4.3/5381=19, 5378/2.9=18...(13) QG2 THR 13 + H GLY 61 OK 33 63 - 53 - 2.1/789=14, 5378/2.9=14...(10) HG12 ILE 35 - H GLY 61 poor 10 96 - 10 - 3.2/5373=3, 4841/5373=2 Peak 5373 from nnoeabs.peaks (0.84, 8.53, 103.24 ppm; 4.53 A): 7 out of 9 assignments used, quality = 0.92: QG2 VAL 47 + H GLY 61 OK 62 100 - 62 - 5972/3.6=23, 3.2/5376=20...(6) QG1 VAL 47 + H GLY 61 OK 49 87 - 57 - 3.2/5376=20, 5974/3.6=16...(6) QB ALA 75 + H GLY 61 OK 19 60 - 32 - 2.9/1007=7, 2.1/4074=6...(8) HD2 LYS 26 + H GLY 61 OK 18 97 - 19 - 3.6/276=3, 5369/3.6=2...(5) QD2 LEU 73 + H GLY 61 OK 18 100 - 18 - 4.6/1082=4, 3.9/4221=2...(6) QG2 ILE 35 + H GLY 61 OK 17 90 - 19 - 5369/3.6=3, 5358/3.6=3...(8) QD2 LEU 85 + H GLY 61 OK 10 100 - 10 - 3606/4.6=2, 5369/3.6=2...(4) QD2 LEU 87 - H GLY 61 lone 7 100 - 7 - 3606/4.6=1 QD2 LEU 30 - H GLY 61 lone 2 60 - 3 - Peak 5374 from nnoeabs.peaks (2.57, 8.53, 103.24 ppm; 4.50 A): 0 out of 5 assignments used, low quality = 0.40: HB3 PHE 46 - H GLY 61 OK 18 73 - 24 - 6194=10, 5359/3.6=6...(6) HB2 PHE 46 - H GLY 61 OK 16 95 - 17 - 1.8/6194=13, 4821/5492=2 HB3 ASP 82 - H GLY 61 OK 13 83 - 16 - 3.0/3498=4, 1.8/3502=4...(4) HB3 ASP 88 - H GLY 61 lone 4 97 - 4 - HB2 ASP 43 - H GLY 61 lone 4 100 - 4 - 4.2/5382=1 Peak 5375 from nnoeabs.peaks (3.80, 8.53, 103.24 ppm; 4.76 A): 1 out of 4 assignments used, quality = 0.93: HA ALA 67 + H GLY 61 OK 93 100 - 93 - 5487/3.6=34, 2.1/5492=34...(18) HD2 PRO 84 - H GLY 61 OK 26 95 - 27 - 5353/4.6=7, 5360/3.6=7...(7) HD3 PRO 19 - H GLY 61 OK 22 97 - 23 - 5366/3.6=5, 5360/3.6=5...(5) HA2 GLY 29 - H GLY 61 lone 2 63 - 3 - Peak 5376 from nnoeabs.peaks (5.07, 8.53, 103.24 ppm; 4.52 A): 2 out of 2 assignments used, quality = 0.70: HA VAL 47 + H GLY 61 OK 56 78 - 72 - 5981/3.6=28, 5350/3.6=22...(9) HA PHE 80 + H GLY 61 OK 31 87 - 35 - 5350/3.6=6, 5351/3.6=6...(10) Peak 5381 from nnoeabs.peaks (7.42, 8.53, 103.24 ppm; 6.07 A): 1 out of 1 assignment used, quality = 0.93: H ALA 67 + H GLY 61 OK 93 99 - 94 - 2.9/5492=36, 5491=33...(14) Peak 5382 from nnoeabs.peaks (7.54, 8.53, 103.24 ppm; 6.20 A): 4 out of 5 assignments used, quality = 0.84: H ASN 63 + H GLY 61 OK 56 78 - 72 - 5405=23, 280/4.6=23...(14) H ALA 69 + H GLY 61 OK 41 76 - 54 - 1054/5381=12...(12) HE22 GLN 55 + H GLY 61 OK 25 99 - 25 - 5384/2.9=5, ~5387=5...(7) H SER 36 + H GLY 61 OK 16 87 - 18 - 4.4/5373=3, 974/4.6=3...(7) H LYS 44 - H GLY 61 poor 9 63 - 15 - 4.2/5374=3, 4.7/5371=2...(4) Peak 5383 from nnoeabs.peaks (9.02, 8.53, 103.24 ppm; 4.28 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5388 from nnoeabs.peaks (1.12, 8.89, 114.56 ppm; 5.21 A): 3 out of 4 assignments used, quality = 0.90: QG1 VAL 66 + H SER 62 OK 69 100 - 70 - 5394/4.6=22, 5378/3.6=20...(8) QG2 THR 13 + H SER 62 OK 52 89 - 58 - 5378/3.6=15, 2.1/278=13...(8) HG3 LYS 14 + H SER 62 OK 29 81 - 36 - 5389/3.9=7, 4.0/793=7...(9) HG12 ILE 35 - H SER 62 lone 5 76 - 7 - 5372/4.6=2, 5394/4.6=1 Peak 5391 from nnoeabs.peaks (2.55, 7.52, 112.61 ppm; 4.90 A): 2 out of 3 assignments used, quality = 0.66: HB3 PHE 46 + H ASN 63 OK 58 100 - 58 - 2.4/5403=30, ~5406=18...(10) HG2 MET 48 + H ASN 63 OK 19 76 - 25 - 4914=5, 4913/1047=3...(8) HB2 ASP 43 - H ASN 63 lone 7 65 - 10 - 3.0/796=2, 3946/5.5=2...(4) Peak 5392 from nnoeabs.peaks (1.85, 7.52, 112.61 ppm; 3.17 A): 1 out of 9 assignments used, quality = 0.58: HB VAL 66 + H ASN 63 OK 58 100 - 59 - 2.1/5395=21, 2.1/5394=17...(10) HB3 GLU 37 - H ASN 63 lone 8 92 - 9 - 5479=2, 3009/5395=1 HG3 PRO 19 - H ASN 63 lone 7 81 - 9 - 3.8/283=1, ~4345=1 HB2 GLU 22 - H ASN 63 lone 5 100 - 5 - HB3 PRO 84 - H ASN 63 lone 3 99 - 3 - HB2 GLU 49 - H ASN 63 lone 3 100 - 3 - HB ILE 35 - H ASN 63 lone 2 65 - 3 - HG2 PRO 81 - H ASN 63 lone 2 93 - 2 - HB3 LYS 78 - H ASN 63 lone 1 73 - 1 - Peak 5393 from nnoeabs.peaks (1.37, 7.52, 112.61 ppm; 4.23 A): 7 out of 11 assignments used, quality = 0.93: QB ALA 67 + H ASN 63 OK 54 100 - 54 - 2.9/1047=12, 2.1/4186=10...(12) HG2 LYS 68 + H ASN 63 OK 42 100 - 42 - 4049=8, 2.9/4047=7...(10) QB ALA 69 + H ASN 63 OK 41 96 - 43 - 3116=8, 3.6/328=7...(11) HB2 LYS 64 + H ASN 63 OK 25 97 - 26 - 4.0/995=11, 4.6/5450=4...(5) HB3 LEU 12 + H ASN 63 OK 20 100 - 21 - 1174/2.9=3, 3.0/796=2...(7) HG2 LYS 44 + H ASN 63 OK 12 100 - 12 - 2276/5.5=2, 803/4.6=2 HB3 LYS 56 + H ASN 63 OK 12 100 - 11 - 2.9/5395=3, 803/4.6=1 HD3 LYS 56 - H ASN 63 lone 7 83 - 8 - 3.0/5395=3 HG2 LYS 91 - H ASN 63 lone 3 78 - 3 - HG3 LYS 91 - H ASN 63 lone 3 78 - 3 - QB ALA 89 - H ASN 63 lone 2 89 - 2 - Peak 5394 from nnoeabs.peaks (1.12, 7.52, 112.61 ppm; 3.43 A): 3 out of 4 assignments used, quality = 0.81: QG1 VAL 66 + H ASN 63 OK 69 100 - 69 - 2.1/5395=25, 2.1/5392=24...(17) QG2 THR 13 + H ASN 63 OK 27 89 - 31 - 2.1/5396=7, 4.1/280=5...(9) HG3 LYS 14 + H ASN 63 OK 16 81 - 19 - 4.9/280=4, 4.0/282=3...(7) HG12 ILE 35 - H ASN 63 lone 4 76 - 5 - Peak 5395 from nnoeabs.peaks (1.05, 7.52, 112.61 ppm; 3.50 A): 2 out of 3 assignments used, quality = 0.77: QG2 VAL 66 + H ASN 63 OK 73 99 - 74 - 2.1/5392=24, 2.1/5394=20...(12) QD2 LEU 34 + H ASN 63 OK 14 97 - 15 - 4686/5403=3, 4670/5391=2...(4) HG2 LYS 56 - H ASN 63 lone 6 87 - 7 - 2.9/5393=1 Peak 5396 from nnoeabs.peaks (4.47, 7.52, 112.61 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.64: HA2 GLY 61 + H ASN 63 OK 50 89 - 57 - 3.6/280=20, 5384=20...(8) HB THR 13 + H ASN 63 OK 27 97 - 28 - 2.1/5394=10, 4.3/280=7...(7) HA3 GLY 59 - H ASN 63 lone 6 76 - 8 - 3.5/995=2 HA LYS 17 - H ASN 63 lone 5 87 - 5 - 1329/5.5=1 Peak 5398 from nnoeabs.peaks (1.83, 7.58, 115.05 ppm; 5.19 A): 4 out of 10 assignments used, quality = 0.93: HB VAL 66 + HD21 ASN 63 OK 86 96 - 91 - 2.1/5399=40, ~5401=36...(9) HB2 LYS 44 + HD21 ASN 63 OK 34 90 - 38 - 5400/1.7=8, 1.8/2266=6...(8) HB2 GLU 22 + HD21 ASN 63 OK 14 96 - 14 - 4.6/4486=3, 4.0/1023=3...(5) HB3 GLU 33 + HD21 ASN 63 OK 11 90 - 12 - 5400/1.7=3, 3.0/459=2, ~465=1 HB2 GLU 37 - HD21 ASN 63 poor 10 92 - 11 - 5400/1.7=3, 3009/5399=2...(4) HB2 GLU 49 - HD21 ASN 63 lone 7 92 - 7 - HB3 PRO 84 - HD21 ASN 63 lone 5 73 - 7 - HG3 GLU 51 - HD21 ASN 63 lone 5 78 - 6 - 5400/1.7=1, ~5400=1 HG2 GLU 51 - HD21 ASN 63 lone 5 76 - 6 - 5400/1.7=1, ~5400=1 HG LEU 76 - HD21 ASN 63 lone 4 76 - 5 - 5400/1.7=1 Peak 5399 from nnoeabs.peaks (1.05, 7.58, 115.05 ppm; 3.61 A): 2 out of 3 assignments used, quality = 0.72: QG2 VAL 66 + HD21 ASN 63 OK 68 99 - 69 - 5401/1.7=34, 5397/3.5=11...(10) QD2 LEU 34 + HD21 ASN 63 OK 11 97 - 11 - 5401/1.7=4, 5395/5.5=2 HG2 LYS 56 - HD21 ASN 63 lone 6 87 - 6 - 5401/1.7=2 Peak 5400 from nnoeabs.peaks (1.82, 6.76, 115.05 ppm; 4.55 A): 2 out of 11 assignments used, quality = 0.71: HB VAL 66 + HD22 ASN 63 OK 62 78 - 79 - 2.1/5401=40, ~5399=27...(7) HB2 LYS 44 + HD22 ASN 63 OK 23 99 - 23 - 5398/1.7=6, ~2266=5...(7) HB2 GLU 37 - HD22 ASN 63 lone 8 100 - 8 - 5398/1.7=2, 3009/5401=1 HB3 GLU 33 - HD22 ASN 63 lone 7 99 - 7 - 5398/1.7=2, 3.0/465=2, ~459=1 HB2 GLU 22 - HD22 ASN 63 lone 5 78 - 6 - 5398/1.7=2, 3009/5401=1 HG3 GLU 51 - HD22 ASN 63 lone 3 96 - 4 - HG2 GLU 51 - HD22 ASN 63 lone 3 95 - 4 - HG LEU 76 - HD22 ASN 63 lone 3 95 - 4 - HB2 GLU 49 - HD22 ASN 63 lone 3 71 - 4 - 5398/1.7=1 HB2 MET 48 - HD22 ASN 63 lone 2 65 - 3 - ~4905=1 HB2 LYS 91 - HD22 ASN 63 lone 1 63 - 1 - Peak 5401 from nnoeabs.peaks (1.05, 6.76, 115.05 ppm; 3.33 A): 1 out of 3 assignments used, quality = 0.73: QG2 VAL 66 + HD22 ASN 63 OK 73 99 - 74 - 5470=36, 5399/1.7=25...(10) QD2 LEU 34 - HD22 ASN 63 lone 9 97 - 9 - 5399/1.7=4, 5395/5.5=2 HG2 LYS 56 - HD22 ASN 63 lone 4 87 - 5 - 5399/1.7=2 Peak 5402 from nnoeabs.peaks (1.12, 6.76, 115.05 ppm; 4.84 A): 3 out of 4 assignments used, quality = 0.87: QG1 VAL 66 + HD22 ASN 63 OK 83 100 - 84 - 2.1/5401=42, ~5399=30...(10) QG2 THR 13 + HD22 ASN 63 OK 14 89 - 16 - 5394/5.5=6, 3011/5401=4...(4) HG12 ILE 35 + HD22 ASN 63 OK 12 76 - 15 - 3925/1.7=3, ~3926=3...(6) HG3 LYS 14 - HD22 ASN 63 poor 10 81 - 12 - 5394/5.5=3, 3.9/466=2...(4) Peak 5403 from nnoeabs.peaks (7.03, 7.52, 112.61 ppm; 3.94 A): 2 out of 4 assignments used, quality = 0.53: QD PHE 46 + H ASN 63 OK 43 90 - 48 - 5406/2.9=21, 2.4/5391=16...(7) QE PHE 80 + H ASN 63 OK 18 100 - 18 - 5406/2.9=8, 4718/4.0=2...(5) HD2 HIS 10 - H ASN 63 lone 1 65 - 2 - HE ARG 45 - H ASN 63 lone 1 87 - 1 - Peak 5405 from nnoeabs.peaks (8.55, 7.52, 112.61 ppm; 5.52 A): 4 out of 4 assignments used, quality = 0.78: H GLY 61 + H ASN 63 OK 66 95 - 70 - 2.9/5396=26, 4.6/280=25...(14) H LEU 76 + H ASN 63 OK 15 100 - 15 - 1008/4.6=3, 6194/5391=3...(5) H LEU 73 + H ASN 63 OK 12 60 - 20 - 3.6/5694=6, 4.6/5685=5 H ASP 82 + H ASN 63 OK 12 100 - 12 - 6194/5391=2, 3.0/796=1 Peak 5412 from nnoeabs.peaks (8.28, 7.58, 115.05 ppm; 5.16 A): 4 out of 6 assignments used, quality = 0.88: H VAL 66 + HD21 ASN 63 OK 57 90 - 63 - 4.0/5399=31, 5413/1.7=19...(7) H LYS 64 + HD21 ASN 63 OK 51 95 - 54 - 4021/3.5=20, 286/3.5=20...(5) H GLY 16 + HD21 ASN 63 OK 38 96 - 39 - 956=9, 5413/1.7=6...(10) H GLU 77 + HD21 ASN 63 OK 11 92 - 11 - 5413/1.7=2, 4020/3.5=1 H ASP 88 - HD21 ASN 63 lone 5 63 - 7 - 3007/5399=2, 5413/1.7=2 H ALA 86 - HD21 ASN 63 lone 2 63 - 3 - Peak 5413 from nnoeabs.peaks (8.27, 6.76, 115.05 ppm; 4.81 A): 3 out of 6 assignments used, quality = 0.88: H VAL 66 + HD22 ASN 63 OK 70 97 - 72 - 4.0/5401=32, 4.0/5402=19...(9) H LYS 64 + HD22 ASN 63 OK 47 85 - 56 - 4.6/800=23, 4021/3.5=16...(6) H GLY 16 + HD22 ASN 63 OK 23 87 - 26 - 5412/1.7=8, 4021/3.5=4...(8) H GLU 77 - HD22 ASN 63 lone 9 98 - 9 - 5412/1.7=2, 4020/3.5=1 H ASP 88 - HD22 ASN 63 lone 7 78 - 8 - 3007/5401=2, 5476=1 H ALA 86 - HD22 ASN 63 lone 2 78 - 3 - Peak 5414 from nnoeabs.peaks (7.32, 8.29, 119.85 ppm; 5.49 A): 3 out of 3 assignments used, quality = 0.89: HZ PHE 46 + H LYS 64 OK 61 100 - 61 - 5442/4.8=17, 4632/3.6=16...(9) QE PHE 46 + H LYS 64 OK 57 85 - 68 - 5407/3.6=18, ~5415=15...(10) QD TYR 70 + H LYS 64 OK 35 99 - 35 - 5440/4.8=5, 5442/4.8=5...(11) Peak 5450 from nnoeabs.peaks (7.54, 7.85, 119.36 ppm; 4.99 A): 5 out of 5 assignments used, quality = 0.85: H ASN 63 + H LYS 65 OK 47 78 - 60 - 4.6/290=16, 2.9/5452=12...(11) H ALA 69 + H LYS 65 OK 40 76 - 53 - 1056/2.9=18...(12) HE22 GLN 55 + H LYS 65 OK 27 99 - 27 - 4180/2.9=6, 5477/4.6=5...(7) H SER 36 + H LYS 65 OK 20 87 - 23 - 677/2.9=5, 4.0/812=4...(8) H LYS 44 + H LYS 65 OK 19 63 - 31 - 4793/2.9=6, ~4795=5...(12) Peak 5452 from nnoeabs.peaks (4.64, 7.85, 119.36 ppm; 5.14 A): 4 out of 10 assignments used, quality = 0.71: HA ASN 63 + H LYS 65 OK 50 87 - 57 - 3.6/290=20, 3.0/5411=12...(9) HA LYS 56 + H LYS 65 OK 18 81 - 23 - 4.0/5453=9, 4.0/2947=5...(5) HA ASN 24 + H LYS 65 OK 18 95 - 19 - 285/4.6=4, 5417/3.6=3...(7) HA GLU 33 + H LYS 65 OK 14 99 - 14 - 5417/3.6=3, 4650/4.6=2...(5) HA ARG 27 - H LYS 65 poor 8 76 - 11 - 5417/3.6=2, 3.0/813=2 HA PHE 57 - H LYS 65 lone 6 96 - 6 - 2640/5453=1 HA THR 38 - H LYS 65 lone 5 63 - 8 - ~4786=2, 3.2/5453=1, 5417/3.6=1 HA ASP 82 - H LYS 65 lone 5 76 - 6 - 5417/3.6=1 HA HIS 42 - H LYS 65 lone 4 99 - 4 - 5417/3.6=2 HA ASN 90 - H LYS 65 lone 2 60 - 3 - Peak 5453 from nnoeabs.peaks (1.05, 7.85, 119.36 ppm; 4.18 A): 3 out of 4 assignments used, quality = 0.78: QG2 VAL 66 + H LYS 65 OK 62 93 - 66 - 4.3/1040=23, 5467=22...(13) HG2 LYS 56 + H LYS 65 OK 28 96 - 30 - 1.8/2947=5, 5423/3.6=4...(12) QD2 LEU 34 + H LYS 65 OK 20 100 - 21 - 5423/3.6=7, 2099/4.6=4...(5) QG2 THR 38 - H LYS 65 lone 4 73 - 5 - ~4786=1, 5423/3.6=1 Peak 5476 from nnoeabs.peaks (6.78, 8.26, 120.89 ppm; 5.12 A): 3 out of 6 assignments used, quality = 0.87: HD22 ASN 63 + H VAL 66 OK 69 93 - 74 - 5401/4.0=32, 5413=20...(9) QE TYR 70 + H VAL 66 OK 39 76 - 51 - 4688/4.0=24, 4687/4.0=22...(5) HE21 GLN 55 + H VAL 66 OK 31 87 - 36 - 1.7/5477=9, 5470/4.0=6...(7) HD22 ASN 63 - H ASP 88 lone 6 59 - 9 - 5470/3007=2, 5413=2...(4) QE TYR 70 - H ASP 88 lone 4 45 - 8 - 4688/3007=2, 4687/3012=1 HE21 GLN 55 - H ASP 88 lone 3 53 - 6 - 4.5/4033=1 Peak 5477 from nnoeabs.peaks (7.55, 8.26, 120.89 ppm; 4.31 A): 5 out of 10 assignments used, quality = 0.84: H ALA 69 + H VAL 66 OK 45 63 - 71 - 1055/3.0=19, ~4184=15...(13) H ASN 63 + H VAL 66 OK 41 65 - 62 - 5395/4.0=15, 5392/4.0=14...(14) HE22 GLN 55 + H VAL 66 OK 31 96 - 32 - 1.7/5476=6, 5468/4.0=5...(10) H SER 36 + H VAL 66 OK 19 95 - 20 - 165/4.0=4, 677/3.6=4...(5) H LYS 44 + H VAL 66 OK 14 76 - 19 - 4793/3.6=5, 4.6/1043=4...(5) H ALA 69 - H ASP 88 poor 5 36 - 13 - 4.6/1049=4, 1054/998=2 HE22 GLN 55 - H ASP 88 lone 3 61 - 5 - H LYS 44 - H ASP 88 lone 3 45 - 6 - H SER 36 - H ASP 88 lone 3 60 - 4 - H ASN 63 - H ASP 88 lone 3 38 - 7 - 5395/3007=1 Peak 5491 from nnoeabs.peaks (8.54, 7.41, 121.32 ppm; 5.02 A): 3 out of 3 assignments used, quality = 0.92: H GLY 61 + H ALA 67 OK 87 99 - 88 - 5492/2.9=33, 5381=28...(14) H LEU 76 + H ALA 67 OK 24 100 - 24 - 5492/2.9=6, 5490/2.9=6...(5) H ASP 82 + H ALA 67 OK 17 100 - 17 - 5490/2.9=6, 5492/2.9=6 Peak 5500 from nnoeabs.peaks (4.50, 7.41, 121.32 ppm; 5.96 A): 2 out of 2 assignments used, quality = 0.97: HA2 GLY 61 + H ALA 67 OK 93 99 - 94 - 2.9/5381=35, 1.8/5516=28...(14) HB THR 13 + H ALA 67 OK 56 93 - 60 - 2.1/314=14, 5498/2.9=14...(12) Peak 5513 from nnoeabs.peaks (1.58, 7.41, 121.32 ppm; 5.22 A): 4 out of 9 assignments used, quality = 0.93: HB2 LYS 68 + H ALA 67 OK 60 71 - 85 - 4.0/315=43, 4.3/1054=35...(17) HD3 LYS 65 + H ALA 67 OK 53 100 - 53 - 4.6/4174=27, 6.2/1040=23...(8) HD2 LYS 65 + H ALA 67 OK 53 100 - 53 - 4.6/4174=27, 6.2/1040=23...(8) HB2 LEU 12 + H ALA 67 OK 26 81 - 32 - 4.0/1045=6, 1166/1040=3...(15) HD3 LYS 14 - H ALA 67 OK 19 100 - 19 - 4.9/5516=4, 3.0/314=4...(7) HD2 LYS 14 - H ALA 67 OK 19 99 - 19 - 4.9/5516=4, 3.0/314=4...(7) HB2 LEU 87 - H ALA 67 OK 10 81 - 13 - 4.2/998=6, ~5508=2, 831/4.6=1 HB3 LEU 85 - H ALA 67 lone 8 95 - 9 - ~5508=2, 4.3/310=1 HG LEU 85 - H ALA 67 lone 4 65 - 7 - ~5508=2 Peak 5515 from nnoeabs.peaks (2.56, 7.41, 121.32 ppm; 4.96 A): 3 out of 4 assignments used, quality = 0.81: HB3 PHE 46 + H ALA 67 OK 54 99 - 55 - ~5488=15, 6082/4170=12...(8) HG2 MET 48 + H ALA 67 OK 54 63 - 86 - ~5505=31, 1.8/4916=27...(16) HB2 ASP 43 + H ALA 67 OK 12 78 - 16 - 4.0/999=9, 2238/4.6=4 HB3 ASP 88 - H ALA 67 lone 6 63 - 10 - 3.6/998=7 Peak 5516 from nnoeabs.peaks (4.09, 7.41, 121.32 ppm; 4.71 A): 3 out of 6 assignments used, quality = 0.87: HA3 GLY 61 + H ALA 67 OK 80 96 - 84 - 2.9/5381=21, ~5492=15...(16) HA LYS 14 + H ALA 67 OK 22 95 - 23 - 5462/4.3=7, 6095/4.5=5...(6) HA3 GLY 54 + H ALA 67 OK 18 78 - 23 - 5379/4.3=5, 5462/4.3=4...(8) HA2 GLY 59 - H ALA 67 poor 9 63 - 14 - ~5501=6, ~5316=4...(4) HA LYS 91 - H ALA 67 lone 9 92 - 9 - 5462/4.3=1 HA LYS 26 - H ALA 67 lone 5 90 - 5 - 5462/4.3=1 Peak 5533 from nnoeabs.peaks (1.77, 7.98, 115.46 ppm; 4.15 A): 3 out of 14 assignments used, quality = 0.95: HB3 MET 48 + H LYS 68 OK 80 92 - 87 - 3.0/5536=27, 4877/3.0=25...(15) HB2 MET 48 + H LYS 68 OK 56 65 - 86 - 3.0/5536=27, 3.0/4915=22...(16) HB2 LYS 65 + H LYS 68 OK 40 81 - 50 - 3.0/4175=23, 4.4/1043=12...(12) QE MET 11 - H LYS 68 OK 25 100 - 25 - 4241/1048=7, 4245/4.0=4...(8) HB2 LEU 73 - H LYS 68 OK 22 95 - 24 - 5540/3.0=4, 3.1/834=2...(11) HB2 ARG 27 - H LYS 68 OK 16 98 - 16 - 3.5/1048=3, 5540/3.0=2...(7) HB3 GLN 55 - H LYS 68 OK 15 89 - 17 - 4.5/1000=5, 5540/3.0=3...(4) HG3 GLU 37 - H LYS 68 OK 15 81 - 18 - 4878/3.0=4, 3.0/5534=3...(5) QB ALA 74 - H LYS 68 OK 12 98 - 12 - 5717/5632=2, 5733/1059=2...(4) HB3 ARG 28 - H LYS 68 lone 9 100 - 9 - 4.0/1052=2, 5540/3.0=2 HD3 LYS 78 - H LYS 68 lone 7 89 - 8 - 1.8/5535=1 HB2 LYS 31 - H LYS 68 lone 6 83 - 7 - 3.0/832=1, 1933/4.0=1 HB2 ARG 28 - H LYS 68 lone 5 83 - 6 - 4.0/1052=2, ~5540=1 HB2 LYS 91 - H LYS 68 lone 3 68 - 4 - Peak 5534 from nnoeabs.peaks (1.82, 7.98, 115.46 ppm; 4.29 A): 8 out of 10 assignments used, quality = 0.86: HB VAL 66 + H LYS 68 OK 54 89 - 61 - 4.5/315=29, 3.0/1048=21...(7) HB2 LYS 44 + H LYS 68 OK 24 97 - 25 - 4.0/189=7, 3.7/832=3...(9) HB3 GLU 33 + H LYS 68 OK 18 97 - 19 - 1.8/5535=3, 3.0/837=3...(6) HB2 GLU 37 + H LYS 68 OK 17 97 - 17 - ~4878=3, 5510/3.6=2...(7) HB2 GLU 49 + H LYS 68 OK 15 83 - 19 - 4964/4.9=3, 3.0/5535=3...(7) HG LEU 76 + H LYS 68 OK 15 87 - 17 - 2.1/5542=4, 3.0/5535=2...(5) HB2 GLU 22 + H LYS 68 OK 11 89 - 12 - 5578/4.6=2, 1.8/5535=2...(4) HB3 PRO 84 + H LYS 68 OK 10 60 - 17 - 3.0/316=4, 2.3/5535=2...(6) HG3 GLU 51 - H LYS 68 lone 5 89 - 5 - HG2 GLU 51 - H LYS 68 lone 5 87 - 5 - Peak 5535 from nnoeabs.peaks (1.93, 7.98, 115.46 ppm; 4.18 A): 2 out of 13 assignments used, quality = 0.96: QE MET 48 + H LYS 68 OK 92 100 - 92 - 4886/3.0=32, 4922=31...(18) HB VAL 20 + H LYS 68 OK 51 100 - 51 - 2.1/4411=16, ~4403=14...(12) HB VAL 47 - H LYS 68 OK 30 100 - 31 - 2.1/834=4, 5539/3.0=3...(13) HB2 GLU 33 - H LYS 68 OK 29 97 - 30 - 4654/4.9=5, 1.8/5534=4...(10) HG3 GLU 49 - H LYS 68 OK 26 99 - 26 - 4980/4.9=4, 4981/4.9=3...(8) HB2 LEU 76 - H LYS 68 OK 25 95 - 27 - 3.1/5542=3, 3.0/5534=3...(13) HG3 PRO 84 - H LYS 68 OK 21 90 - 23 - 2.3/316=5, 3569/3.6=2...(9) HG2 PRO 19 - H LYS 68 OK 14 65 - 21 - 2.3/316=7, 1478/3.6=4...(6) HB3 GLU 22 - H LYS 68 OK 13 97 - 13 - 1.8/5534=2 HD2 LYS 78 - H LYS 68 OK 10 96 - 11 - HB2 GLU 77 - H LYS 68 poor 8 68 - 11 - 4.0/1049=2, 3.0/837=2 HG3 PRO 81 - H LYS 68 lone 7 95 - 7 - HB2 GLN 58 - H LYS 68 lone 3 63 - 5 - Peak 5536 from nnoeabs.peaks (2.35, 7.98, 115.46 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.96: HG3 MET 48 + H LYS 68 OK 96 99 - 97 - 5505/3.7=32, 1.8/4915=32...(20) Peak 5537 from nnoeabs.peaks (2.54, 7.98, 115.46 ppm; 3.89 A): 2 out of 5 assignments used, quality = 0.93: HG2 MET 48 + H LYS 68 OK 90 96 - 94 - 1.8/5536=29, 4915=29...(25) HB3 PHE 46 + H LYS 68 OK 32 98 - 33 - 5504/3.7=8, 6082/1051=7...(8) HB2 TYR 32 - H LYS 68 OK 27 63 - 44 - ~4604=15, ~5518=8...(14) HE3 LYS 26 - H LYS 68 OK 19 76 - 26 - 5544/4.0=3, 5547/4.0=3...(10) HE2 LYS 26 - H LYS 68 OK 17 68 - 24 - 5544/4.0=3, 5547/4.0=3...(10) Peak 5542 from nnoeabs.peaks (0.73, 7.98, 115.46 ppm; 4.17 A): 4 out of 7 assignments used, quality = 0.94: QG2 VAL 20 + H LYS 68 OK 68 100 - 68 - 4403/3.0=21, 4411=16...(18) QG1 VAL 20 + H LYS 68 OK 56 93 - 61 - 2.1/4411=16, ~4403=14...(13) QD1 LEU 79 + H LYS 68 OK 39 100 - 39 - 2.1/834=6, 6047/4.0=5...(13) HG2 LYS 26 + H LYS 68 OK 36 90 - 40 - 2.9/832=5, 5543/4.0=4...(16) HG3 LYS 64 - H LYS 68 OK 31 68 - 45 - 4.1/1051=23, 3.0/833=5...(14) QD1 LEU 12 - H LYS 68 OK 29 93 - 31 - 1189/4.0=4, 3.1/831=4...(11) QD2 LEU 76 - H LYS 68 OK 29 90 - 32 - 2.1/5534=3, 6047/4.0=3...(14) Peak 5578 from nnoeabs.peaks (1.82, 7.52, 119.82 ppm; 5.03 A): 9 out of 11 assignments used, quality = 0.94: HB VAL 66 + H ALA 69 OK 70 78 - 89 - 3.0/1055=36, 4.5/1054=32...(16) HB2 MET 48 + H ALA 69 OK 27 65 - 42 - 4878/3.6=19, 3.0/4914=13...(9) HB2 GLU 37 + H ALA 69 OK 23 100 - 23 - 5534/4.6=3, 4.1/1001=3...(11) HB2 LYS 44 + H ALA 69 OK 21 99 - 21 - 5534/4.6=4, 3.7/321=3...(5) HB2 GLU 22 + H ALA 69 OK 21 78 - 26 - 3.0/840=3, 1555/3.0=3...(12) HG LEU 76 + H ALA 69 OK 17 95 - 18 - 2.1/5581=3, 5534/4.6=3...(6) HB3 GLU 33 + H ALA 69 OK 12 99 - 12 - 5534/4.6=3, 2263/4.3=2 HG3 GLU 51 + H ALA 69 OK 10 96 - 11 - 6134/757=1 HG2 GLU 51 + H ALA 69 OK 10 95 - 11 - 6134/757=1 HB2 GLU 49 - H ALA 69 poor 9 71 - 12 - 5534/4.6=3 HB2 LYS 91 - H ALA 69 lone 2 63 - 3 - Peak 5579 from nnoeabs.peaks (1.96, 7.52, 119.82 ppm; 4.41 A): 4 out of 15 assignments used, quality = 0.97: HG2 PRO 19 + H ALA 69 OK 70 100 - 70 - 2.3/1053=16, ~6188=12...(16) HB2 PRO 19 + H ALA 69 OK 56 83 - 67 - 3.0/1053=14, ~6188=10...(19) HB VAL 20 + H ALA 69 OK 55 78 - 71 - 2.1/6203=27, ~4404=13...(14) HB3 PRO 19 + H ALA 69 OK 47 73 - 65 - 3.0/1053=14, ~6188=10...(18) HE3 LYS 68 - H ALA 69 OK 36 65 - 56 - 4.9/4047=12, 4.9/4048=11...(13) QE MET 48 - H ALA 69 OK 29 60 - 49 - 4886/3.6=18, 4922/4.6=10...(10) HB3 GLU 22 - H ALA 69 OK 21 89 - 24 - 1.8/5578=3, 3.0/840=3...(11) HG3 PRO 84 - H ALA 69 OK 20 97 - 21 - 2.3/1053=4, 5573/2.9=2...(7) HB2 LEU 76 - H ALA 69 OK 18 93 - 19 - 3.0/5578=2, 3.1/5581=2...(8) HB2 GLU 77 - H ALA 69 OK 18 100 - 18 - 3.0/840=3, 3264/3.0=2...(5) HB3 PRO 81 - H ALA 69 OK 13 97 - 14 - ~5918=3, 5577/3.0=2...(6) HB2 GLU 33 - H ALA 69 OK 13 89 - 14 - 5545/4.3=2, 1.8/5578=2 HB2 GLN 58 - H ALA 69 OK 11 100 - 11 - 5573/2.9=1, 6154/3.0=1 HB2 GLU 51 - H ALA 69 lone 10 99 - 10 - 3.0/5578=1, 3.0/5578=1 HB VAL 47 - H ALA 69 poor 9 60 - 15 - 2.1/323=3, 5545/4.3=2...(5) Peak 5580 from nnoeabs.peaks (1.51, 7.52, 119.82 ppm; 4.68 A): 3 out of 16 assignments used, quality = 0.95: QB ALA 71 + H ALA 69 OK 83 99 - 84 - 4196/3.6=38, 2.9/1057=20...(14) QB ALA 72 + H ALA 69 OK 55 83 - 67 - 4201/3.0=15, 5694=14...(13) HB3 LYS 26 + H ALA 69 OK 30 100 - 30 - 1690/4.3=5, 1.8/321=5...(8) HB2 LYS 56 - H ALA 69 OK 30 96 - 31 - 2.9/321=5, 4200/3.0=4...(9) HG3 ARG 27 - H ALA 69 OK 24 100 - 24 - 3.0/1055=5, 3879/4.6=4...(10) HD2 LYS 56 - H ALA 69 OK 22 85 - 26 - 3.0/321=5, 3.4/841=3...(8) HG2 GLU 37 - H ALA 69 OK 16 97 - 17 - 3.0/5578=3, 4.9/1001=2...(7) HD3 LYS 64 - H ALA 69 OK 14 97 - 15 - 3.8/322=2, 4195/3.6=2 HD3 LYS 17 - H ALA 69 OK 12 100 - 12 - 4195/3.6=2, 3.0/321=2...(4) HD2 LYS 17 - H ALA 69 OK 12 100 - 12 - 4195/3.6=2, 3.0/321=2...(4) HG LEU 34 - H ALA 69 OK 12 100 - 12 - 4195/3.6=2, 4694=1 HB3 LYS 44 - H ALA 69 OK 11 63 - 18 - 1.8/5578=3, 3.7/321=3...(6) HB2 LEU 85 - H ALA 69 lone 10 100 - 10 - 1.8/320=1, 4195/3.6=1, 3.0/320=1 HG LEU 30 - H ALA 69 poor 8 65 - 12 - 5.1/1057=4, 5588/4.6=2...(4) HB3 LEU 87 - H ALA 69 lone 7 85 - 8 - 1.8/320=1, 4195/3.6=1, 3.0/320=1 HB2 ARG 45 - H ALA 69 lone 4 100 - 4 - Peak 5581 from nnoeabs.peaks (0.74, 7.52, 119.82 ppm; 3.72 A): 4 out of 7 assignments used, quality = 0.95: QG2 VAL 20 + H ALA 69 OK 69 95 - 73 - 6203=25, 4404/3.0=17...(16) QG1 VAL 20 + H ALA 69 OK 67 100 - 67 - 2.1/6203=21, ~4404=9...(16) QD1 LEU 79 + H ALA 69 OK 31 99 - 31 - 2.1/5869=9, 5582/2.9=4...(8) QD1 LEU 12 + H ALA 69 OK 27 100 - 28 - 3.1/320=4, 1189/4.3=3...(10) HG2 LYS 26 - H ALA 69 OK 22 100 - 22 - 1700/4.3=3, 2.9/321=3...(8) QD2 LEU 76 - H ALA 69 OK 12 65 - 19 - 5541/3.6=2, 5582/2.9=2...(8) QD1 LEU 30 - H ALA 69 lone 5 65 - 8 - 4.8/1057=3, 5587/4.6=1 Peak 5585 from nnoeabs.peaks (1.12, 8.33, 115.27 ppm; 4.55 A): 3 out of 4 assignments used, quality = 0.84: QG1 VAL 66 + H TYR 70 OK 75 100 - 75 - 5583/3.6=22, 3.2/1061=20...(11) QG2 THR 13 + H TYR 70 OK 28 89 - 32 - 4696/4.6=7, 6094/4.0=5...(8) HG3 LYS 14 + H TYR 70 OK 11 81 - 13 - 5616/4.6=3, 5600/4.0=2...(4) HG12 ILE 35 - H TYR 70 lone 6 76 - 8 - 5583/3.6=3 Peak 5587 from nnoeabs.peaks (0.77, 8.33, 115.27 ppm; 4.49 A): 4 out of 7 assignments used, quality = 0.93: QD1 LEU 73 + H TYR 70 OK 81 99 - 82 - 5713/3.0=20, 4699/4.6=13...(20) QD1 LEU 30 + H TYR 70 OK 40 100 - 40 - 5607/3.0=6, 1904/4.6=5...(11) QG1 VAL 20 + H TYR 70 OK 24 73 - 33 - 2.1/4412=11, 2.1/5591=5...(9) QD2 LEU 79 + H TYR 70 OK 23 92 - 25 - 5869/4.6=8, 5873/6.5=3...(7) HG2 LYS 26 - H TYR 70 OK 19 78 - 25 - 5607/3.0=4, 3869/4.6=3...(9) QD1 LEU 23 - H TYR 70 OK 15 87 - 17 - 4699/4.6=2, 5607/3.0=2...(5) QD1 LEU 12 - H TYR 70 OK 11 73 - 15 - 1190/3.6=3, 3.1/330=2...(6) Peak 5588 from nnoeabs.peaks (1.52, 8.33, 115.27 ppm; 3.99 A): 5 out of 16 assignments used, quality = 0.92: QB ALA 71 + H TYR 70 OK 70 100 - 70 - 2.9/1002=23, 4063=12...(19) HG3 ARG 27 + H TYR 70 OK 40 100 - 40 - 3.0/1061=7, 1790/4.6=5...(14) QB ALA 72 + H TYR 70 OK 30 57 - 52 - 2.1/3155=7, 3.6/340=7...(16) HG LEU 30 + H TYR 70 OK 23 89 - 26 - 2.1/5587=6, 5.1/1002=4...(8) HB3 LYS 26 + H TYR 70 OK 21 100 - 21 - 4.3/965=4, 3868/4.6=3...(7) HD2 LYS 56 - H TYR 70 OK 16 98 - 17 - 1.8/330=2, 3.4/330=2...(6) HB2 LYS 56 - H TYR 70 OK 16 78 - 20 - ~5224=3, 1.8/330=3...(7) HD3 LYS 64 - H TYR 70 OK 13 100 - 13 - 5446/4.6=2, 5603/4.0=1...(5) HB3 LYS 44 - H TYR 70 OK 12 87 - 14 - 4796/4.6=3, 5603/4.0=2 HG LEU 34 - H TYR 70 OK 10 99 - 10 - 2.1/4683=2 HG2 GLU 37 - H TYR 70 poor 10 81 - 12 - 4775/4.6=3, 1.8/5590=1 HB2 LEU 85 - H TYR 70 lone 9 97 - 9 - HB3 LEU 87 - H TYR 70 lone 8 98 - 8 - HD2 LYS 17 - H TYR 70 lone 7 93 - 7 - HD3 LYS 17 - H TYR 70 lone 7 93 - 7 - HB2 ARG 45 - H TYR 70 lone 3 93 - 4 - Peak 5589 from nnoeabs.peaks (1.64, 8.33, 115.27 ppm; 4.90 A): 4 out of 9 assignments used, quality = 0.96: HG2 ARG 28 + H TYR 70 OK 60 87 - 69 - 3.8/843=11, 3.0/1854=7...(20) HG3 ARG 28 + H TYR 70 OK 57 83 - 69 - 3.8/843=11, 3.0/1854=7...(20) HG LEU 73 + H TYR 70 OK 54 73 - 74 - 2.1/5587=16, ~5713=15...(15) HB3 LEU 73 + H TYR 70 OK 45 60 - 75 - 3.1/5587=14, ~4206=12...(15) HD2 LYS 91 - H TYR 70 OK 11 100 - 11 - 3.0/844=2, 3.0/844=2...(4) HD3 LYS 91 - H TYR 70 OK 11 99 - 11 - 3.0/844=2, 3.0/844=2...(4) HD2 LYS 31 - H TYR 70 poor 10 60 - 16 - 3.0/844=3, 3.0/844=3...(8) HB2 LYS 14 - H TYR 70 lone 8 100 - 8 - 3.0/5585=3, 4694/4.6=1 HB3 LYS 14 - H TYR 70 lone 8 100 - 8 - 3.0/5585=3, 4694/4.6=1 Peak 5590 from nnoeabs.peaks (1.78, 8.33, 115.27 ppm; 4.32 A): 5 out of 15 assignments used, quality = 0.97: HB2 ARG 28 + H TYR 70 OK 61 100 - 62 - 3.0/843=11, 1823/3.0=6...(21) HB3 ARG 28 + H TYR 70 OK 54 90 - 60 - 3.0/843=11, 3.0/5589=6...(20) HB2 ARG 27 + H TYR 70 OK 49 99 - 49 - 3.5/1061=7, 1766/4.6=6...(15) QB ALA 74 + H TYR 70 OK 47 99 - 48 - ~4209=15, 5733=8...(12) QE MET 11 + H TYR 70 OK 44 93 - 47 - 4246/4.6=15, 4252=13...(9) HB2 LEU 73 - H TYR 70 OK 42 60 - 70 - 3.1/5587=11, ~4208=10...(18) HB2 MET 48 - H TYR 70 OK 30 97 - 31 - 4878/1058=8, 4.0/4901=4...(10) HG3 GLU 37 - H TYR 70 OK 17 100 - 17 - 4878/1058=2, 4774/4.6=2...(6) HB2 LYS 31 - H TYR 70 OK 16 100 - 16 - 4597/4597=1, 5.3/844=1...(4) HB2 LYS 91 - H TYR 70 lone 10 97 - 10 - 5.0/844=1, 5.0/844=1 HD3 LYS 78 - H TYR 70 lone 8 100 - 8 - HB2 LYS 65 - H TYR 70 lone 7 100 - 7 - HG2 GLU 51 - H TYR 70 lone 5 71 - 7 - 3.0/5088=2 HG3 GLU 51 - H TYR 70 lone 5 68 - 7 - 3.0/5088=2 HG LEU 76 - H TYR 70 lone 5 71 - 7 - 3.0/5591=2 Peak 5591 from nnoeabs.peaks (1.94, 8.33, 115.27 ppm; 4.97 A): 11 out of 14 assignments used, quality = 0.94: HB VAL 20 + H TYR 70 OK 43 100 - 43 - 6154/3.6=13, 2.1/4412=12...(9) QE MET 48 + H TYR 70 OK 41 98 - 42 - 4886/1058=14...(11) HG2 PRO 19 + H TYR 70 OK 31 83 - 38 - 2.3/1060=13, 5573/3.6=9...(8) HG3 PRO 84 + H TYR 70 OK 24 98 - 24 - 2.3/1060=8, 5573/3.6=2...(10) HG3 PRO 81 + H TYR 70 OK 17 83 - 21 - 3.8/843=3, ~3484=3...(7) HB2 LEU 76 + H TYR 70 OK 17 99 - 17 - 5647/4.6=2, 5775/4.6=2 HB VAL 47 + H TYR 70 OK 16 98 - 16 - 4.4/4901=5, 5539/1058=1 HB3 GLU 22 + H TYR 70 OK 14 100 - 14 - 5573/3.6=2, 3.0/329=2...(4) HB2 GLU 77 + H TYR 70 OK 14 85 - 17 - 3.0/329=4, ~6049=4...(4) HB2 GLN 58 + H TYR 70 OK 12 81 - 15 - 5647/4.6=4, 4.3/991=4...(4) HB2 GLU 33 + H TYR 70 OK 11 100 - 12 - 4652/5585=2, 5539/1058=1 HG3 GLU 49 - H TYR 70 lone 9 95 - 10 - 4980/3.6=1, 5539/1058=1 HB2 GLU 51 - H TYR 70 poor 7 63 - 11 - 1.8/5088=4 HD2 LYS 78 - H TYR 70 lone 6 85 - 7 - Peak 5592 from nnoeabs.peaks (4.05, 8.33, 115.27 ppm; 4.25 A): 3 out of 3 assignments used, quality = 0.79: HA2 GLY 59 + H TYR 70 OK 63 100 - 63 - 5331/4.6=20, 5320/4.0=19...(12) HA3 GLY 61 + H TYR 70 OK 29 81 - 36 - 5596/4.0=7, 5593/4.0=7...(9) HA3 GLY 54 + H TYR 70 OK 22 97 - 23 - 5151/4.6=4, 5593/4.0=4...(8) Peak 5621 from nnoeabs.peaks (8.84, 8.13, 126.46 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.95: H GLY 59 + H ALA 71 OK 95 99 - 96 - 5623/2.9=43, 5338=39...(15) Peak 5630 from nnoeabs.peaks (6.67, 8.13, 126.46 ppm; 6.07 A): 1 out of 1 assignment used, quality = 0.90: QE TYR 32 + H ALA 71 OK 90 99 - 92 - 5638/2.9=40, 5688/4.6=27...(18) Peak 5631 from nnoeabs.peaks (5.80, 8.13, 126.46 ppm; 5.52 A): 1 out of 1 assignment used, quality = 0.90: HA GLN 58 + H ALA 71 OK 90 100 - 90 - 5639/2.9=48, 5628/3.0=43...(11) Peak 5642 from nnoeabs.peaks (1.37, 8.13, 126.46 ppm; 4.21 A): 3 out of 11 assignments used, quality = 0.94: QB ALA 69 + H ALA 71 OK 73 96 - 77 - 4.4/1065=25, 3.6/1002=21...(16) HG2 LYS 68 + H ALA 71 OK 54 100 - 55 - 3.9/1065=28, 1.8/5644=10...(11) QB ALA 67 + H ALA 71 OK 49 100 - 49 - 2.1/4192=22, 5489/4.5=8...(9) HB3 LYS 56 - H ALA 71 OK 26 100 - 26 - 5224/3.6=4, 1.8/850=2...(11) HB2 LYS 64 - H ALA 71 OK 25 97 - 25 - 3.0/5645=4, ~5662=3...(10) HG2 LYS 44 - H ALA 71 OK 19 100 - 19 - 4797/4.5=4, 5604/4.4=2...(5) HD3 LYS 56 - H ALA 71 OK 17 83 - 21 - ~5652=2, 1.8/850=2...(6) HB3 LEU 12 - H ALA 71 OK 13 100 - 13 - 3027/1065=1, 330/4.6=1 QB ALA 89 - H ALA 71 poor 10 89 - 11 - 3676=2, 2.1/3673=1 HG3 LYS 91 - H ALA 71 lone 7 78 - 8 - 4695/4.5=1, 3.8/333=1...(4) HG2 LYS 91 - H ALA 71 lone 7 78 - 8 - 4695/4.5=1, 3.8/333=1...(4) Peak 5644 from nnoeabs.peaks (0.80, 8.13, 126.46 ppm; 4.99 A): 6 out of 6 assignments used, quality = 0.92: HG3 LYS 68 + H ALA 71 OK 64 100 - 64 - 3.9/1065=37, 5661/2.9=13...(8) QD1 LEU 73 + H ALA 71 OK 41 65 - 63 - 4.4/1067=16, 5713/3.6=14...(14) QG1 VAL 47 + H ALA 71 OK 28 85 - 33 - 5978/5621=8, 5661/2.9=6...(9) QD1 LEU 23 + H ALA 71 OK 23 92 - 25 - 5661/2.9=5, ~5660=3...(7) QD2 LEU 79 + H ALA 71 OK 19 87 - 22 - 5661/2.9=4, 3028/1065=3...(7) QG2 ILE 35 + H ALA 71 OK 14 81 - 18 - 5661/2.9=4, 5270/5631=3...(6) Peak 5645 from nnoeabs.peaks (0.71, 8.13, 126.46 ppm; 4.58 A): 5 out of 5 assignments used, quality = 0.92: QG1 VAL 50 + H ALA 71 OK 66 93 - 71 - 5662/2.9=24, ~5663=18...(14) QD2 LEU 76 + H ALA 71 OK 42 100 - 42 - 5662/2.9=10, 5782/4.6=8...(16) QG2 VAL 20 + H ALA 71 OK 37 85 - 44 - 4412/4.6=9, 4403/1065=9...(11) HG3 LYS 64 + H ALA 71 OK 26 100 - 26 - 5662/2.9=7, 5442/4.5=4...(6) QD1 LEU 79 + H ALA 71 OK 10 68 - 15 - 2.1/5644=3, ~5661=2...(4) Peak 5646 from nnoeabs.peaks (1.77, 8.13, 126.46 ppm; 4.21 A): 5 out of 14 assignments used, quality = 0.98: QB ALA 74 + H ALA 71 OK 69 100 - 70 - ~4211=16, ~5633=11...(23) HB2 ARG 27 + H ALA 71 OK 58 100 - 59 - 4.2/1003=8, 1766=6...(23) HB3 ARG 28 + H ALA 71 OK 55 100 - 55 - 3.0/4568=15, 4.6/1067=10...(15) HB2 ARG 28 + H ALA 71 OK 48 92 - 52 - 3.0/4568=15, 4.6/1067=10...(15) HB2 LEU 73 + H ALA 71 OK 47 87 - 54 - 3.9/1067=13, 4206/3.6=11...(14) QE MET 11 - H ALA 71 OK 39 100 - 39 - 4246/4.5=15, 4252/4.6=8...(10) HB3 MET 48 - H ALA 71 OK 33 83 - 39 - 4877/1065=10, 5659/2.9=6...(14) HB2 MET 48 - H ALA 71 OK 29 78 - 38 - 4878/1065=8, ~5659=4...(14) HB3 GLN 55 - H ALA 71 OK 19 78 - 24 - 4.5/1064=4, 3.0/332=3...(11) HB2 LYS 31 - H ALA 71 OK 14 92 - 16 - 3.9/125=3, 5.3/333=1 HG3 GLU 37 - H ALA 71 OK 13 90 - 14 - 4878/1065=2, 4774/4.5=2 HD3 LYS 78 - H ALA 71 lone 7 96 - 8 - HB2 LYS 91 - H ALA 71 lone 7 81 - 8 - HB2 LYS 65 - H ALA 71 lone 5 90 - 5 - Peak 5647 from nnoeabs.peaks (1.95, 8.13, 126.46 ppm; 5.24 A): 3 out of 14 assignments used, quality = 0.95: HB2 GLN 58 + H ALA 71 OK 82 99 - 83 - 2.9/5631=32, 4.3/5621=31...(10) HG2 PRO 19 + H ALA 71 OK 48 99 - 48 - 2.3/1066=14, 4380/2.9=4...(21) HB2 LEU 76 + H ALA 71 OK 48 99 - 48 - 3.1/5645=9, ~5662=7...(17) QE MET 48 - H ALA 71 OK 35 78 - 45 - 4886/1065=15...(10) HB3 PRO 81 - H ALA 71 OK 32 89 - 36 - 2.3/5915=10, 2738/5631=5...(13) HB2 PRO 19 - H ALA 71 OK 32 65 - 48 - 3.0/1066=13, 4342/4.6=4...(23) HB VAL 20 - H ALA 71 OK 28 92 - 30 - 2.1/5645=9, 5591/4.6=4...(11) HB3 GLU 22 - H ALA 71 OK 26 97 - 26 - 3.0/1063=3, ~4144=2...(10) HG3 PRO 84 - H ALA 71 OK 23 100 - 22 - 2.3/1066=7, 5591/4.6=2...(7) HG3 GLU 49 - H ALA 71 OK 18 68 - 27 - 4942/5631=7, ~4971=4...(5) HB2 GLU 77 - H ALA 71 OK 17 99 - 17 - 3.0/1063=5, 5591/4.6=1 HB VAL 47 - H ALA 71 OK 14 78 - 18 - 2.1/5644=6, ~5661=5...(5) HB2 GLU 33 - H ALA 71 OK 12 97 - 13 - 5664/2.9=2, 5591/4.6=1 HB2 GLU 51 - H ALA 71 OK 10 92 - 11 - 6087/2.9=2, ~5057=1, 5667/4.6=1 Peak 5648 from nnoeabs.peaks (4.06, 8.13, 126.46 ppm; 3.47 A): 3 out of 3 assignments used, quality = 0.90: HA2 GLY 59 + H ALA 71 OK 86 100 - 86 - 5331=33, 1.8/5649=24...(19) HA3 GLY 61 + H ALA 71 OK 18 92 - 20 - 5596/4.4=4, 5151/4.5=4...(6) HA3 GLY 54 + H ALA 71 OK 13 100 - 13 - 5151/4.5=3, 5592/4.6=3...(4) Peak 5649 from nnoeabs.peaks (4.44, 8.13, 126.46 ppm; 3.71 A): 2 out of 4 assignments used, quality = 0.87: HA3 GLY 59 + H ALA 71 OK 85 100 - 85 - 1.8/5331=31, 5332=20...(16) HA LYS 17 + H ALA 71 OK 12 98 - 12 - 5650/3.0=3, 1335/2.9=1...(6) HA GLN 55 - H ALA 71 poor 9 71 - 12 - 5651/2.9=2, 5.7/1064=2...(5) HA PRO 81 - H ALA 71 poor 7 60 - 12 - 5915=4, 5651/2.9=2...(4) Peak 5665 from nnoeabs.peaks (1.65, 8.35, 118.23 ppm; 4.40 A): 3 out of 9 assignments used, quality = 0.90: HB3 LEU 73 + H ALA 72 OK 54 87 - 62 - 4.4/1072=24, 3.9/1004=21...(12) HG2 ARG 28 + H ALA 72 OK 53 99 - 54 - 4.9/1004=11, 3.8/1814=8...(12) HG3 ARG 28 + H ALA 72 OK 53 98 - 54 - 4.9/1004=11, 3.8/1814=8...(12) HD2 LYS 31 - H ALA 72 lone 6 87 - 6 - HD3 LYS 31 - H ALA 72 lone 5 83 - 6 - HD2 LYS 91 - H ALA 72 lone 3 90 - 3 - HD3 LYS 91 - H ALA 72 lone 3 89 - 3 - HB3 LYS 14 - H ALA 72 lone 2 99 - 2 - HB2 LYS 14 - H ALA 72 lone 2 99 - 2 - Peak 5666 from nnoeabs.peaks (1.78, 8.35, 118.23 ppm; 4.39 A): 5 out of 15 assignments used, quality = 1.00: QB ALA 74 + H ALA 72 OK 88 99 - 89 - 2.9/1072=32, ~5692=15...(25) HB2 ARG 28 + H ALA 72 OK 64 100 - 64 - 4.6/1004=12, 3.0/1814=10...(17) HB2 ARG 27 + H ALA 72 OK 64 99 - 64 - 3876=8, 1.8/3877=8...(16) HB3 ARG 28 + H ALA 72 OK 59 90 - 65 - 4.6/1004=12, 3.0/1814=10...(18) HG LEU 76 + H ALA 72 OK 46 71 - 64 - 2.1/5669=11, ~5670=10...(18) HB2 LEU 73 - H ALA 72 OK 39 60 - 65 - 4.4/1072=24, 3.9/1004=21...(14) HB2 MET 48 - H ALA 72 OK 25 97 - 26 - 4878/1071=9, 4212/3.6=2...(7) QE MET 11 - H ALA 72 OK 20 93 - 22 - 4252=5, 1152/4.6=3...(9) HB2 LYS 31 - H ALA 72 OK 17 100 - 17 - 4597/5687=3, 5680/2.9=1 HG3 GLU 37 - H ALA 72 OK 14 100 - 14 - 4878/1071=2, 5680/2.9=1 HG2 GLU 51 - H ALA 72 OK 12 71 - 17 - 3.0/5088=7, 3.0/5667=2...(5) HG3 GLU 51 - H ALA 72 OK 11 68 - 17 - 3.0/5088=7, 3.0/5667=2...(5) HD3 LYS 78 - H ALA 72 OK 11 100 - 11 - HB2 LYS 65 - H ALA 72 lone 8 100 - 8 - HB2 LYS 91 - H ALA 72 lone 6 97 - 7 - Peak 5667 from nnoeabs.peaks (1.98, 8.35, 118.23 ppm; 4.16 A): 5 out of 13 assignments used, quality = 0.93: HB2 PRO 19 + H ALA 72 OK 55 100 - 55 - 4343/4.6=8, 5681/2.9=7...(22) HB3 PRO 19 + H ALA 72 OK 53 99 - 54 - 4343/4.6=8, 5681/2.9=7...(22) HG2 PRO 19 + H ALA 72 OK 40 90 - 44 - 5681/2.9=5, 2.3/4342=5...(19) HE3 LYS 68 + H ALA 72 OK 31 97 - 33 - 6.0/1071=13, 5568/5688=9...(7) HB2 GLU 25 + H ALA 72 OK 25 89 - 28 - 4.1/5686=6, 1645/2.9=5...(11) HB3 PRO 81 - H ALA 72 OK 20 99 - 20 - ~5683=3, 2.3/1068=3...(7) HB2 GLU 51 - H ALA 72 OK 17 99 - 17 - 1.8/5088=7, 5681/2.9=2...(5) HB2 GLU 77 - H ALA 72 OK 16 89 - 18 - 3.0/1070=5, ~4201=2...(5) HB2 GLN 58 - H ALA 72 OK 14 92 - 15 - 5664/3.7=3, ~5272=2...(6) HB2 LEU 34 - H ALA 72 lone 6 85 - 7 - HB2 LYS 78 - H ALA 72 lone 6 87 - 7 - HG3 PRO 84 - H ALA 72 lone 4 65 - 6 - HG2 PRO 84 - H ALA 72 lone 3 83 - 4 - Peak 5668 from nnoeabs.peaks (0.90, 8.35, 118.23 ppm; 3.92 A): 6 out of 6 assignments used, quality = 0.91: QD2 LEU 23 + H ALA 72 OK 50 99 - 51 - 5673/2.9=11, 5768/2.9=10...(15) QD1 LEU 76 + H ALA 72 OK 41 73 - 56 - 5768/2.9=11, 2.1/5669=10...(18) HB3 LEU 30 + H ALA 72 OK 39 99 - 39 - 4590/5688=7, 4.0/337=6...(10) HD3 LYS 26 + H ALA 72 OK 34 99 - 34 - 5673/2.9=6, 5768/2.9=6...(11) QD1 LEU 87 + H ALA 72 OK 12 96 - 13 - 5673/2.9=2, 5768/2.9=2...(4) QD1 LEU 85 + H ALA 72 OK 11 92 - 12 - 5673/2.9=2, 5768/2.9=2, ~5677=1 Peak 5669 from nnoeabs.peaks (0.73, 8.35, 118.23 ppm; 3.59 A): 5 out of 7 assignments used, quality = 0.93: QG2 VAL 20 + H ALA 72 OK 58 100 - 58 - 4412=12, 5674/2.9=10...(18) QD2 LEU 76 + H ALA 72 OK 53 97 - 55 - 5674/2.9=8, 5670/2.9=8...(22) QG1 VAL 20 + H ALA 72 OK 43 85 - 50 - 2.1/4412=11, 4408/5688=8...(13) HG2 LYS 26 + H ALA 72 OK 23 81 - 29 - 3.0/5668=4, 5674/2.9=3...(14) QD1 LEU 79 + H ALA 72 OK 17 97 - 17 - 5674/2.9=3, 2.1/853=2...(6) HG3 LYS 64 - H ALA 72 poor 9 81 - 11 - 5662/3.7=2, 5670/2.9=2 QD1 LEU 12 - H ALA 72 lone 7 85 - 8 - 4266/2.9=1 Peak 5685 from nnoeabs.peaks (7.53, 8.35, 118.23 ppm; 5.19 A): 3 out of 4 assignments used, quality = 0.92: H ALA 69 + H ALA 72 OK 80 96 - 84 - 3.6/1071=35, 3.0/1070=18...(14) HE22 GLN 55 + H ALA 72 OK 45 100 - 45 - 1.7/5687=9, 5634/3.7=7...(9) H ASN 63 + H ALA 72 OK 30 97 - 31 - 5634/3.7=6, 1064/4.6=5...(9) H SER 36 - H ALA 72 lone 3 60 - 5 - Peak 5686 from nnoeabs.peaks (7.37, 8.35, 118.23 ppm; 4.92 A): 2 out of 3 assignments used, quality = 0.94: H ALA 75 + H ALA 72 OK 87 99 - 88 - 4.6/1072=28, 1084/4.6=24...(20) H GLU 25 + H ALA 72 OK 52 100 - 52 - 4216/2.9=13, 4214/3.6=10...(14) QE PHE 46 - H ALA 72 OK 21 73 - 28 - 4214/3.6=5, 4216/2.9=5...(9) Peak 5687 from nnoeabs.peaks (6.81, 8.35, 118.23 ppm; 4.90 A): 2 out of 3 assignments used, quality = 0.96: QD TYR 32 + H ALA 72 OK 91 99 - 92 - 2.2/5688=48, ~5698=28...(15) QE TYR 70 + H ALA 72 OK 53 97 - 54 - 5637/3.7=9, 3137=8...(14) HE21 GLN 55 - H ALA 72 OK 37 92 - 41 - 1.7/5685=10, 5697/2.9=8...(9) Peak 5688 from nnoeabs.peaks (6.65, 8.35, 118.23 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.76: QE TYR 32 + H ALA 72 OK 76 95 - 81 - 5698/2.9=28, 5638/3.7=24...(16) Peak 5711 from nnoeabs.peaks (1.39, 8.57, 117.62 ppm; 4.60 A): 6 out of 10 assignments used, quality = 0.75: QB ALA 69 + H LEU 73 OK 44 100 - 45 - 2.1/4202=19, 3.6/340=10...(7) HG2 ARG 27 + H LEU 73 OK 21 63 - 34 - 5.0/966=9, 2.9/856=4...(11) HG2 LYS 68 + H LEU 73 OK 17 78 - 22 - 6107/4.4=5, 2.9/858=3...(8) HB3 LYS 56 + H LEU 73 OK 13 96 - 13 - 1.8/342=2, 2631/3.6=1...(4) QB ALA 67 + H LEU 73 OK 12 85 - 14 - 6107/4.4=2, 5508/4.4=2...(5) HD3 LYS 56 + H LEU 73 OK 11 100 - 11 - 3.4/342=2, 2671/3.6=1 HB3 LEU 12 - H LEU 73 poor 10 93 - 10 - 6107/4.4=2, 4262/3.6=2 HG2 LYS 31 - H LEU 73 lone 8 87 - 9 - 6107/4.4=2, 3.0/857=1, 3.0/857=1 HG2 LYS 44 - H LEU 73 lone 5 83 - 5 - HB2 LYS 64 - H LEU 73 lone 3 63 - 4 - Peak 5715 from nnoeabs.peaks (1.51, 7.80, 121.01 ppm; 4.08 A): 2 out of 16 assignments used, quality = 0.94: QB ALA 71 + H ALA 74 OK 81 99 - 82 - 2.1/4211=37, 3.7/1072=24...(17) QB ALA 72 + H ALA 74 OK 70 83 - 85 - 3.6/1005=32, 2.9/1072=28...(16) HG3 ARG 27 - H ALA 74 OK 33 100 - 33 - 5.0/1079=5, 5717/2.9=3...(14) HB3 LYS 26 - H ALA 74 OK 21 100 - 21 - 2.9/4070=3, 3.6/349=3...(10) HB2 LEU 85 - H ALA 74 OK 20 100 - 19 - 3.0/4069=4, 3.1/349=3...(6) HG LEU 30 - H ALA 74 OK 17 65 - 26 - 2.1/348=6, 1902/4.6=3...(10) HB3 LEU 87 - H ALA 74 OK 15 85 - 18 - 3.0/4069=4, 1.8/347=3...(5) HB2 LYS 56 - H ALA 74 OK 15 96 - 15 - ~5728=4, 5717/2.9=2...(4) HD2 LYS 56 - H ALA 74 OK 10 85 - 12 - 5717/2.9=3, ~5720=3 HD3 LYS 64 - H ALA 74 lone 9 97 - 10 - ~5719=2, 5446/4.6=2, 5717/2.9=2 HG2 GLU 37 - H ALA 74 lone 6 97 - 6 - HD3 LYS 17 - H ALA 74 lone 5 100 - 5 - HD2 LYS 17 - H ALA 74 lone 5 100 - 5 - HG LEU 34 - H ALA 74 lone 5 100 - 5 - HB2 ARG 45 - H ALA 74 lone 2 100 - 2 - HB3 LYS 44 - H ALA 74 lone 2 63 - 3 - Peak 5726 from nnoeabs.peaks (3.16, 7.80, 121.01 ppm; 5.65 A): 2 out of 5 assignments used, quality = 0.96: HB2 PHE 57 + H ALA 74 OK 84 100 - 84 - 5721/2.9=23, ~5730=22...(15) HD2 ARG 28 + H ALA 74 OK 73 100 - 73 - 3887/4.6=12, 4.7/1081=12...(24) HD2 ARG 27 - H ALA 74 OK 40 76 - 53 - 5721/2.9=6, 3.0/5715=5...(23) HB2 PHE 80 - H ALA 74 OK 39 89 - 44 - 5721/2.9=7, ~4233=7...(12) HD3 PRO 81 - H ALA 74 OK 37 100 - 37 - 5724/2.9=6, 5721/2.9=5...(13) Peak 5737 from nnoeabs.peaks (8.29, 7.80, 121.01 ppm; 4.89 A): 5 out of 7 assignments used, quality = 0.73: H GLU 77 + H ALA 74 OK 54 71 - 76 - 4.6/1089=25, 5796=20...(13) H VAL 66 + H ALA 74 OK 14 68 - 21 - 4228/2.9=4, 5705/4.6=3...(8) H LEU 85 + H ALA 74 OK 13 83 - 16 - 5.1/4069=3, 4.7/349=3...(5) H GLY 16 + H ALA 74 OK 11 100 - 11 - 549/4211=1, 3.0/1080=1...(4) H ALA 60 + H ALA 74 OK 10 78 - 13 - 4.6/1082=5, 5357/4.6=2...(5) H LYS 64 - H ALA 74 lone 9 100 - 9 - 5732/2.9=1, 4228/2.9=1 H GLU 37 - H ALA 74 lone 2 57 - 4 - Peak 5738 from nnoeabs.peaks (7.17, 7.36, 121.32 ppm; 3.94 A): 3 out of 4 assignments used, quality = 0.86: QD PHE 57 + H ALA 75 OK 71 89 - 80 - 5730/3.4=20, 5741/2.9=18...(23) H LYS 78 + H ALA 75 OK 35 71 - 49 - 4.6/1087=9, 1100/3.6=8...(10) QD PHE 80 + H ALA 75 OK 27 60 - 45 - 4235/2.9=7, 2.5/5752=6...(12) HD2 HIS 15 - H ALA 75 lone 6 99 - 6 - 5730/3.4=2, 5741/2.9=1 Peak 5748 from nnoeabs.peaks (0.70, 7.36, 121.32 ppm; 3.98 A): 4 out of 4 assignments used, quality = 0.94: QD2 LEU 76 + H ALA 75 OK 76 97 - 79 - 5763/2.9=17, 4.8/1007=15...(25) QG1 VAL 50 + H ALA 75 OK 60 98 - 61 - ~6109=15, 5039=14...(14) HG3 LYS 64 + H ALA 75 OK 31 100 - 31 - 5763/2.9=6, 5719/3.4=4...(8) QG2 VAL 20 + H ALA 75 OK 15 73 - 20 - 5763/2.9=3, 873/4.6=3...(7) Peak 5749 from nnoeabs.peaks (1.50, 7.36, 121.32 ppm; 4.05 A): 4 out of 13 assignments used, quality = 0.94: QB ALA 72 + H ALA 75 OK 80 100 - 81 - 3.6/1084=23, 2.1/4216=20...(21) QB ALA 71 + H ALA 75 OK 41 73 - 56 - 2.1/4214=15, 3.7/5686=11...(17) HB2 LYS 56 + H ALA 75 OK 27 100 - 27 - 4.8/5751=4, 4.8/5751=4...(9) HG3 ARG 27 + H ALA 75 OK 24 78 - 31 - 3.0/5752=5, 2.9/352=3...(14) HB3 LYS 26 - H ALA 75 OK 22 78 - 28 - 4.0/90=7, ~6108=4...(9) HG LEU 79 - H ALA 75 OK 16 81 - 20 - ~5764=4, 5766/2.9=3...(5) HD3 LYS 64 - H ALA 75 OK 15 63 - 24 - 2.9/5748=5, ~5763=3...(11) HD2 LYS 17 - H ALA 75 poor 10 95 - 10 - ~5765=1, 6118/2.9=1 HD3 LYS 17 - H ALA 75 poor 10 95 - 10 - ~5765=1, 6118/2.9=1 HB2 LEU 85 - H ALA 75 poor 9 89 - 10 - 4.3/1087=2 HG2 GLU 37 - H ALA 75 lone 9 99 - 9 - 1.8/352=1 HG LEU 34 - H ALA 75 lone 8 85 - 9 - ~4676=2, 2.1/4685=1, 2.1/4689=1 HB2 ARG 45 - H ALA 75 lone 3 95 - 3 - Peak 5750 from nnoeabs.peaks (1.66, 7.36, 121.32 ppm; 5.23 A): 3 out of 12 assignments used, quality = 0.96: HB3 LEU 73 + H ALA 75 OK 82 99 - 84 - 4.4/350=40, 3.9/1084=31...(20) HG3 ARG 28 + H ALA 75 OK 50 100 - 50 - 4.9/1084=11, 3.0/5752=6...(22) HG2 ARG 28 + H ALA 75 OK 50 100 - 50 - 4.9/1084=11, 3.0/5752=6...(22) HD2 LYS 31 - H ALA 75 OK 15 99 - 15 - ~6034=4, ~6108=2...(4) HD3 LYS 31 - H ALA 75 OK 15 97 - 15 - ~6034=4, ~6108=2...(4) HB2 LEU 30 - H ALA 75 OK 14 63 - 23 - 346/4.6=3, 3.1/866=2...(11) HB3 GLU 51 - H ALA 75 OK 12 83 - 14 - 5089/1084=3, 5088/5686=2...(5) HB3 LYS 91 - H ALA 75 lone 5 73 - 7 - HB3 LYS 14 - H ALA 75 lone 3 89 - 3 - HB2 LYS 14 - H ALA 75 lone 3 89 - 3 - HD2 LYS 91 - H ALA 75 lone 3 68 - 4 - HD3 LYS 91 - H ALA 75 lone 3 65 - 4 - Peak 5751 from nnoeabs.peaks (2.81, 7.36, 121.32 ppm; 4.28 A): 3 out of 5 assignments used, quality = 0.95: HB3 PHE 57 + H ALA 75 OK 85 99 - 86 - 2.5/5738=19, 5720/3.4=17...(22) HE3 LYS 56 + H ALA 75 OK 42 100 - 42 - 5759/2.9=7, 5720/3.4=7...(15) HE2 LYS 56 + H ALA 75 OK 41 100 - 41 - 5759/2.9=7, 5720/3.4=6...(15) HB3 ASP 53 - H ALA 75 lone 6 63 - 9 - 5759/2.9=2, 5720/3.4=1 HB2 ASN 90 - H ALA 75 lone 2 81 - 3 - Peak 5752 from nnoeabs.peaks (3.18, 7.36, 121.32 ppm; 4.07 A): 4 out of 6 assignments used, quality = 0.95: HB2 PHE 57 + H ALA 75 OK 81 96 - 85 - 2.5/5738=18, 1.8/5751=17...(26) HB2 PHE 80 + H ALA 75 OK 44 100 - 44 - 2.5/5738=7, 5754/2.9=5...(17) HD2 ARG 27 + H ALA 75 OK 32 99 - 33 - 4550/2.9=4, 5721/3.4=4...(14) HD2 ARG 28 + H ALA 75 OK 31 90 - 35 - 5721/3.4=5, 3.0/5750=4...(14) HD3 PRO 81 - H ALA 75 OK 22 81 - 27 - 5758/2.9=5, 5754/2.9=3...(9) HB3 HIS 42 - H ALA 75 lone 1 71 - 1 - Peak 5796 from nnoeabs.peaks (7.80, 8.26, 115.68 ppm; 5.92 A): 1 out of 1 assignment used, quality = 0.90: H ALA 74 + H GLU 77 OK 90 100 - 90 - 1089/4.6=35, 2.9/1095=28...(16) Peak 5808 from nnoeabs.peaks (0.76, 8.26, 115.68 ppm; 4.54 A): 8 out of 8 assignments used, quality = 0.94: QD1 LEU 73 + H GLU 77 OK 58 97 - 60 - 4.6/5796=17, 5705=16...(13) QG1 VAL 20 + H GLU 77 OK 36 85 - 42 - 2.1/362=8, ~4404=5...(13) QD1 LEU 23 + H GLU 77 OK 29 76 - 39 - 4482/4.6=8, 1614/3.6=7...(10) QD1 LEU 30 + H GLU 77 OK 27 100 - 27 - 6032/3.6=4, 5811/4.6=4...(9) QD2 LEU 79 + H GLU 77 OK 26 83 - 31 - 5870/4.6=7, 2.1/362=5...(8) HG2 LYS 26 + H GLU 77 OK 21 89 - 23 - 6172/4.6=4, 3.0/361=3...(8) QD1 LEU 79 + H GLU 77 OK 13 63 - 21 - 2.1/359=5, 5866/4.6=5...(5) QD1 LEU 12 + H GLU 77 OK 13 85 - 15 - 4266/3.6=3, 2.1/359=2...(5) Peak 5809 from nnoeabs.peaks (1.25, 7.20, 115.52 ppm; 5.26 A): 3 out of 9 assignments used, quality = 0.95: HB2 LEU 79 + H LYS 78 OK 83 100 - 83 - 4.0/1010=21, 4.6/5823=15...(20) HB3 LEU 23 + H LYS 78 OK 53 100 - 53 - 3.1/4483=13, 3.0/1097=9...(20) HG3 LYS 65 + H LYS 78 OK 42 98 - 43 - ~5813=6, 1.8/885=5...(12) HG3 LYS 56 - H LYS 78 OK 16 71 - 22 - 4.7/1010=8, 892/4.6=3 HG3 LYS 17 - H LYS 78 OK 14 90 - 16 - 2.9/884=2, 2.9/884=2...(4) HG2 LYS 17 - H LYS 78 OK 14 90 - 15 - 2.9/884=2, 2.9/884=2...(4) HD3 LYS 68 - H LYS 78 OK 12 63 - 20 - 3.0/367=4, 892/4.6=2...(5) HD2 LYS 68 - H LYS 78 OK 12 60 - 19 - 3.0/367=4, 892/4.6=2...(5) HG13 ILE 35 - H LYS 78 poor 9 71 - 12 - 4719/4.6=3, 3.0/883=1...(5) Peak 5810 from nnoeabs.peaks (0.87, 7.20, 115.52 ppm; 4.85 A): 3 out of 9 assignments used, quality = 0.96: QD1 LEU 76 + H LYS 78 OK 75 99 - 76 - 2.1/5786=14, 4.0/1097=13...(22) QB ALA 75 + H LYS 78 OK 71 100 - 72 - 2.1/4235=16, 3.6/1098=16...(19) QD2 LEU 30 + H LYS 78 OK 46 100 - 46 - 2.1/5811=7, ~5813=6...(15) QD1 LEU 87 - H LYS 78 OK 29 83 - 35 - 4.7/1010=7, 4.1/881=6...(9) HB3 LEU 30 - H LYS 78 OK 26 71 - 37 - 1.8/884=7, 3.1/5811=6...(9) QD1 LEU 85 - H LYS 78 OK 23 89 - 25 - 4.0/881=4, ~5813=3...(7) QD2 LEU 87 - H LYS 78 OK 19 60 - 32 - 4.7/1010=7, 4.1/881=6...(10) HD2 LYS 26 - H LYS 78 OK 17 76 - 23 - 3.0/4533=2, 3.0/4533=2...(7) HD3 LYS 26 - H LYS 78 OK 14 71 - 20 - 361/4.6=3, 3.0/4533=2...(6) Peak 5811 from nnoeabs.peaks (0.76, 7.20, 115.52 ppm; 4.52 A): 4 out of 8 assignments used, quality = 0.96: QD2 LEU 79 + H LYS 78 OK 66 83 - 80 - 4.8/1010=14, 5870=12...(22) QD1 LEU 30 + H LYS 78 OK 57 100 - 57 - 6033/2.9=7, 6116/4.0=6...(18) QD1 LEU 73 + H LYS 78 OK 50 97 - 52 - 6103/4.9=11, 5705/4.6=8...(14) QD1 LEU 79 + H LYS 78 OK 44 63 - 70 - 4.8/1010=14, 2.1/5870=13...(16) QD1 LEU 23 - H LYS 78 OK 44 76 - 58 - 4483=11, 3.9/1097=6...(24) QG1 VAL 20 - H LYS 78 OK 29 85 - 34 - 4395/4.9=5, 5808/4.6=4...(11) QD1 LEU 12 - H LYS 78 OK 26 85 - 30 - 2.1/885=4, 4.6/5823=3...(11) HG2 LYS 26 - H LYS 78 OK 21 89 - 24 - 5808/4.6=2, 5802/4.9=2...(8) Peak 5820 from nnoeabs.peaks (4.00, 7.20, 115.52 ppm; 5.32 A): 3 out of 6 assignments used, quality = 0.96: HA LEU 79 + H LYS 78 OK 85 100 - 85 - 2.9/1010=24, 3.6/5823=18...(19) HA PRO 19 + H LYS 78 OK 52 93 - 56 - 5819/4.0=8, 891/4.6=7...(21) HD2 PRO 19 + H LYS 78 OK 40 78 - 51 - 891/4.6=9, 5819/4.0=7...(16) HA GLU 25 - H LYS 78 OK 32 60 - 54 - 4.0/367=9, 1642/4.9=8...(14) HB3 SER 62 - H LYS 78 lone 8 96 - 8 - 5819/4.0=1 HA3 GLY 16 - H LYS 78 lone 6 60 - 10 - 5821/4.9=1 Peak 5823 from nnoeabs.peaks (7.87, 7.20, 115.52 ppm; 4.70 A): 4 out of 4 assignments used, quality = 0.91: H PHE 80 + H LYS 78 OK 77 98 - 79 - 379/4.6=21, 902=14...(22) HD21 ASN 24 + H LYS 78 OK 27 100 - 27 - 5790/3.6=5, 4422/1100=4...(6) H LYS 65 + H LYS 78 OK 25 65 - 39 - 5790/3.6=7, 4.6/363=5...(13) H LEU 12 + H LYS 78 OK 24 90 - 26 - 1011/4.6=6, 5790/3.6=3...(9) Peak 5834 from nnoeabs.peaks (0.91, 8.19, 115.31 ppm; 4.52 A): 7 out of 7 assignments used, quality = 0.92: QD2 LEU 23 + H LEU 79 OK 56 100 - 56 - 2.1/896=12, 1609/4.0=9...(14) QD1 LEU 76 + H LEU 79 OK 35 60 - 59 - 4.0/6158=15, 4.8/5855=10...(14) HB3 LEU 30 + H LEU 79 OK 31 96 - 33 - 1.8/373=6, 3.1/896=6...(8) QD1 LEU 87 + H LEU 79 OK 26 89 - 30 - 4.1/370=5, 2.1/3654=4...(10) QG2 VAL 52 + H LEU 79 OK 20 60 - 33 - 5842/4.0=5, 3.2/370=4...(10) HD3 LYS 26 + H LEU 79 OK 18 96 - 19 - 5839/4.0=2, 3.0/895=2...(6) QD1 LEU 85 + H LEU 79 OK 18 83 - 22 - 4.0/370=3, 3.1/3626=3...(8) Peak 5836 from nnoeabs.peaks (3.17, 8.19, 115.31 ppm; 4.76 A): 3 out of 5 assignments used, quality = 0.96: HB2 PHE 80 + H LEU 79 OK 80 99 - 81 - 4.0/379=25, 3.0/5837=21...(16) HD3 PRO 81 + H LEU 79 OK 70 92 - 77 - 4.8/379=21, 3.8/5837=18...(20) HB2 PHE 57 + H LEU 79 OK 39 99 - 39 - 4.4/369=10, 5.8/5853=9...(9) HD2 ARG 27 - H LEU 79 OK 25 95 - 26 - 3.5/373=5, 5841/2.9=3...(7) HD2 ARG 28 - H LEU 79 lone 9 97 - 9 - 5841/2.9=1 Peak 5837 from nnoeabs.peaks (5.06, 8.19, 115.31 ppm; 5.09 A): 2 out of 2 assignments used, quality = 0.88: HA PHE 80 + H LEU 79 OK 81 99 - 82 - 3.0/379=31, 5875/2.9=21...(15) HA VAL 47 + H LEU 79 OK 35 96 - 36 - 898/4.6=9, 5875/2.9=9...(11) Peak 5853 from nnoeabs.peaks (6.93, 8.19, 115.31 ppm; 4.57 A): 2 out of 2 assignments used, quality = 0.94: HZ PHE 80 + H LEU 79 OK 77 100 - 77 - 5872/4.8=15, 3.8/369=14...(18) HZ PHE 57 + H LEU 79 OK 76 100 - 76 - 5825/4.4=14, 5824/4.4=14...(22) Peak 5855 from nnoeabs.peaks (8.55, 8.19, 115.31 ppm; 5.18 A): 4 out of 4 assignments used, quality = 0.88: H LEU 76 + H LEU 79 OK 71 100 - 71 - 3.0/6158=22, 3.6/5746=18...(16) H ASP 82 + H LEU 79 OK 41 100 - 41 - 1098/4.6=8, 5924/5837=6...(15) H GLY 61 + H LEU 79 OK 19 95 - 20 - 1098/4.6=4, 5376/5837=3...(6) H LEU 73 + H LEU 79 OK 11 60 - 18 - 4.4/896=4, 3.6/894=2...(5) Peak 5877 from nnoeabs.peaks (1.87, 7.86, 116.55 ppm; 4.33 A): 3 out of 10 assignments used, quality = 0.95: HG2 PRO 81 + H PHE 80 OK 80 95 - 85 - 2.3/5879=30, 2.3/5906=25...(16) HB3 LYS 78 + H PHE 80 OK 56 100 - 56 - 4.4/379=20, 4.0/5823=11...(11) HG3 PRO 19 + H PHE 80 OK 43 99 - 43 - 1484/3.6=11, 2.3/380=8...(10) HB3 PRO 84 - H PHE 80 OK 16 85 - 19 - 3459/4.8=5, 3452/4.8=5...(6) HB3 MET 11 - H PHE 80 OK 14 85 - 16 - 3.0/3794=3, 3.0/3791=3...(6) HB2 MET 11 - H PHE 80 OK 13 81 - 16 - 3.0/3794=3, 3.0/3791=3...(6) HB3 GLN 58 - H PHE 80 OK 11 87 - 13 - 4.6/379=3, 1.8/5878=2...(4) HB ILE 35 - H PHE 80 lone 10 100 - 10 - 5840/3.6=2, 372/4.6=2 HB2 GLU 49 - H PHE 80 poor 7 63 - 11 - 4934/4.6=2, 3459/4.8=2...(4) HB3 GLU 37 - H PHE 80 lone 5 96 - 5 - Peak 5878 from nnoeabs.peaks (1.97, 7.86, 116.55 ppm; 4.62 A): 4 out of 16 assignments used, quality = 0.96: HB3 PRO 81 + H PHE 80 OK 83 100 - 83 - 3.0/5879=29, 3.0/5906=24...(15) HB2 PRO 19 + H PHE 80 OK 41 97 - 42 - 2.3/380=8, 3.0/380=8...(9) HB3 PRO 19 + H PHE 80 OK 39 93 - 42 - 2.3/380=8, 3.0/380=8...(9) HB2 LYS 78 + H PHE 80 OK 39 73 - 53 - 4.4/379=22, 4.0/5823=13...(10) HB2 LEU 76 - H PHE 80 OK 38 73 - 51 - 2.9/5882=21, 3.1/5784=11...(6) HG2 PRO 19 - H PHE 80 OK 37 97 - 38 - 1477/3.6=11, 2.3/380=9...(7) HB2 GLU 77 - H PHE 80 OK 30 97 - 31 - 4.1/5823=13, 3.0/5790=10 HB2 GLN 58 - H PHE 80 OK 22 98 - 22 - 3482/4.8=7, 3483/4.8=5...(4) HE3 LYS 68 - H PHE 80 OK 13 89 - 14 - 3.7/385=3, 3.0/381=2...(4) HG3 PRO 84 - H PHE 80 OK 10 81 - 13 - 3458/4.8=2, 2.3/5877=2...(4) HG2 PRO 84 - H PHE 80 poor 10 68 - 14 - 2.3/5877=2, 3458/4.8=2...(5) HB3 GLU 22 - H PHE 80 poor 7 65 - 11 - 4146/3.6=1, 4083/4.4=1 HB2 GLU 25 - H PHE 80 lone 5 76 - 7 - 3.0/5882=2, 4165/5790=1 HB2 GLU 51 - H PHE 80 lone 4 100 - 4 - HB2 GLU 33 - H PHE 80 lone 3 65 - 5 - HB2 LEU 34 - H PHE 80 lone 2 71 - 3 - Peak 5879 from nnoeabs.peaks (3.39, 7.86, 116.55 ppm; 3.75 A): 2 out of 2 assignments used, quality = 0.92: HD2 PRO 81 + H PHE 80 OK 88 100 - 88 - 4.8=48, 5880/3.0=25...(17) HA VAL 20 + H PHE 80 OK 33 100 - 33 - 5880/3.0=7, 3.2/4415=6...(9) Peak 5882 from nnoeabs.peaks (3.95, 7.86, 116.55 ppm; 3.57 A): 3 out of 6 assignments used, quality = 0.74: HA LEU 76 + H PHE 80 OK 59 96 - 62 - 5788=17, 6111/4.0=11...(12) HA LEU 23 + H PHE 80 OK 23 81 - 29 - 3.9/385=5, 4701/4.4=5...(8) HA ALA 72 + H PHE 80 OK 19 98 - 19 - 5683/4.8=3, 5892/4.0=3...(8) HA ALA 71 - H PHE 80 lone 8 93 - 9 - 5655/4.0=2, 5892/4.0=2...(4) HA GLU 25 - H PHE 80 lone 6 83 - 7 - 4505/4.0=2, 4512/4.6=1 HA3 GLY 16 - H PHE 80 lone 5 83 - 6 - Peak 5923 from nnoeabs.peaks (1.23, 8.54, 120.09 ppm; 5.56 A): 4 out of 9 assignments used, quality = 0.60: QG2 THR 83 + H ASP 82 OK 37 92 - 40 - 3.9/1012=38 HB2 LEU 79 + H ASP 82 OK 17 73 - 24 - 4.0/5855=9, 5876/5924=4...(6) QD1 LEU 34 + H ASP 82 OK 14 97 - 15 - 910/4.5=2, 4672/6194=1, ~4668=1 HG13 ILE 35 + H ASP 82 OK 11 100 - 11 - 910/4.5=2, 6163/3.9=2, 3.0/389=2 HD2 LYS 68 - H ASP 82 lone 10 100 - 10 - 910/4.5=2 HD3 LYS 68 - H ASP 82 lone 10 100 - 10 - 910/4.5=2 HG3 LYS 26 - H ASP 82 lone 7 78 - 9 - 910/4.5=2, 6114/3250=1 HG2 LYS 17 - H ASP 82 lone 6 97 - 6 - HG2 LYS 14 - H ASP 82 lone 3 68 - 5 - Peak 5924 from nnoeabs.peaks (5.06, 8.54, 120.09 ppm; 5.10 A): 2 out of 2 assignments used, quality = 0.75: HA PHE 80 + H ASP 82 OK 64 96 - 67 - 4.8/386=30, 3.8/391=21...(11) HA VAL 47 + H ASP 82 OK 29 90 - 32 - 6051=8, 3.5/4902=4...(12) Peak 5925 from nnoeabs.peaks (1.87, 8.07, 116.49 ppm; 5.33 A): 3 out of 12 assignments used, quality = 0.97: HB3 PRO 84 + H THR 83 OK 85 93 - 91 - 3.0/5928=30, 3.0/5929=26...(16) HG2 PRO 81 + H THR 83 OK 65 99 - 66 - 3.8/5930=27, 2.3/5927=26...(8) HG3 PRO 19 + H THR 83 OK 48 100 - 48 - 1485/4.8=10, 2.3/5929=9...(11) HB ILE 35 - H THR 83 OK 17 100 - 17 - 3531/4.8=4, 3.0/910=3...(6) HB2 GLU 49 - H THR 83 OK 14 76 - 19 - 4.3/982=6, 3531/4.8=4...(4) HB3 LYS 78 - H THR 83 OK 14 100 - 14 - 389/4.5=5, 3531/4.8=2...(4) HB3 MET 11 - H THR 83 OK 12 73 - 17 - 3.0/5927=8, 3.0/1145=1...(4) HB2 MET 11 - H THR 83 OK 11 68 - 17 - 3.0/5927=8, 3.0/1145=1...(4) HB2 GLU 22 - H THR 83 lone 6 68 - 9 - 389/4.5=2, 3531/4.8=1 HB3 GLN 58 - H THR 83 lone 6 76 - 8 - 1.8/5926=2 HB3 GLU 37 - H THR 83 lone 4 99 - 4 - HB VAL 66 - H THR 83 lone 3 68 - 5 - Peak 5926 from nnoeabs.peaks (1.97, 8.07, 116.49 ppm; 4.29 A): 3 out of 16 assignments used, quality = 0.96: HB3 PRO 81 + H THR 83 OK 70 100 - 70 - 3.9/1012=26, 2.3/5930=25...(9) HG3 PRO 84 + H THR 83 OK 66 81 - 82 - 2.3/5928=23, 2.3/5929=20...(12) HG2 PRO 84 + H THR 83 OK 56 68 - 82 - 2.3/5928=23, 2.3/5929=20...(12) HB2 GLU 51 - H THR 83 OK 34 100 - 34 - 2507=10, 1.8/2513=8...(8) HG2 PRO 19 - H THR 83 OK 34 97 - 35 - 1478/4.8=6, 2.3/5929=6...(10) HB2 PRO 19 - H THR 83 OK 27 97 - 28 - 3.0/5929=5, 2.3/5925=4...(9) HB3 PRO 19 - H THR 83 OK 26 93 - 28 - 3.0/5929=5, 2.3/5925=4...(9) HB2 GLN 58 - H THR 83 OK 12 98 - 12 - 4106/4.5=3, 3477/5930=2 HB2 LEU 76 - H THR 83 poor 10 73 - 13 - 3222/4.5=5, 4.0/393=3 HE3 LYS 68 - H THR 83 poor 9 89 - 10 - 3.0/910=2, 3.0/910=2, ~3513=1 HB2 GLU 33 - H THR 83 poor 8 65 - 13 - 4.1/4639=3, 3.0/394=3 HB2 LEU 34 - H THR 83 lone 6 71 - 9 - 3.1/910=2 HB2 GLU 77 - H THR 83 lone 6 97 - 6 - 388/4.5=2 HB2 LYS 78 - H THR 83 lone 5 73 - 7 - 388/4.5=1, 1.8/5925=1 HB3 GLU 22 - H THR 83 lone 4 65 - 6 - HB2 GLU 25 - H THR 83 lone 1 76 - 2 - Peak 5927 from nnoeabs.peaks (2.32, 8.07, 116.49 ppm; 5.45 A): 2 out of 3 assignments used, quality = 0.62: HB2 PRO 81 + H THR 83 OK 54 65 - 82 - 3.9/1012=37, 2.3/5930=34...(9) HG2 MET 11 + H THR 83 OK 18 100 - 18 - 5919/4.8=4, 4105/4.5=2...(8) HG3 MET 48 - H THR 83 lone 4 71 - 6 - 4673/910=1 Peak 5928 from nnoeabs.peaks (3.67, 8.07, 116.49 ppm; 4.79 A): 1 out of 3 assignments used, quality = 0.99: HD3 PRO 84 + H THR 83 OK 99 99 - 100 - 4.8=97, 5932/3.0=39...(14) HA2 GLY 16 - H THR 83 OK 27 100 - 27 - 5932/3.0=7, 5934/3.8=7...(5) HA2 GLY 54 - H THR 83 lone 2 60 - 3 - Peak 5929 from nnoeabs.peaks (3.82, 8.07, 116.49 ppm; 4.71 A): 1 out of 4 assignments used, quality = 0.99: HD2 PRO 84 + H THR 83 OK 99 100 - 100 - 4.8=93, 3.8/908=37...(16) HD3 PRO 19 - H THR 83 OK 31 65 - 47 - 5931/3.0=9, 3534/4.8=9...(12) HA ALA 67 - H THR 83 OK 13 87 - 15 - 5490/4.5=3, 5931/3.0=2...(6) HA2 GLY 29 - H THR 83 poor 10 96 - 10 - 4578/5930=2, 4559/5930=2...(5) Peak 5930 from nnoeabs.peaks (4.41, 8.07, 116.49 ppm; 4.45 A): 2 out of 4 assignments used, quality = 0.60: HA PRO 81 + H THR 83 OK 56 100 - 56 - 3.6/1012=30, 2.3/5927=18...(6) HA ARG 28 + H THR 83 OK 10 100 - 10 - 386/4.5=3, 4559/4.8=2 HA TYR 70 - H THR 83 lone 5 96 - 5 - 386/4.5=2, 5920/4.6=1 HA GLN 55 - H THR 83 lone 4 99 - 4 - 386/4.5=2 Peak 5969 from nnoeabs.peaks (7.58, 8.63, 119.94 ppm; 3.61 A): 3 out of 10 assignments used, quality = 0.74: H SER 36 + H VAL 47 OK 61 90 - 68 - 4769=28, 4.0/4825=12...(12) H LYS 44 + H VAL 47 OK 22 99 - 22 - 5970/4.0=3, 191/4.2=3...(10) H SER 36 + H GLN 58 OK 14 36 - 39 - 4769=14, 4.4/4713=5...(10) HD21 ASN 63 - H VAL 47 lone 4 99 - 4 - H LYS 17 - H VAL 47 lone 4 83 - 4 - 4.8/4687=2 H LYS 44 - H GLN 58 lone 3 44 - 7 - H VAL 20 - H VAL 47 lone 2 90 - 2 - H VAL 20 - H GLN 58 lone 2 36 - 6 - 1491/4.0=1, 56/4.0=1, 1019/6.6=1 H LYS 17 - H GLN 58 lone 2 32 - 6 - ~5274=2, 4.7/989=1 HD21 ASN 63 - H GLN 58 lone 1 44 - 2 - Peak 5980 from nnoeabs.peaks (8.99, 8.63, 119.94 ppm; 4.55 A): 2 out of 2 assignments used, quality = 0.80: H ILE 35 + H VAL 47 OK 75 95 - 80 - 5977/4.0=20, 4703=19...(14) H ILE 35 + H GLN 58 OK 21 39 - 54 - 4703=13, 3.9/4713=9...(13) Peak 5982 from nnoeabs.peaks (6.08, 8.63, 119.94 ppm; 5.07 A): 2 out of 2 assignments used, quality = 0.94: HA ALA 60 + H VAL 47 OK 93 100 - 93 - 5981/3.0=45, 5341=37...(11) HA ALA 60 + H GLN 58 OK 13 45 - 28 - 5341=10, 4900/198=7...(5) Peak 5995 from nnoeabs.peaks (9.13, 9.13, 85.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 27 + HE ARG 27 OK 100 100 - 100 Peak 5996 from nnoeabs.peaks (6.93, 9.13, 85.61 ppm; 5.41 A): 2 out of 2 assignments used, quality = 0.78: HZ PHE 80 + HE ARG 27 OK 58 100 - 58 - 4542/3.9=19, 4538/2.9=15...(12) HZ PHE 57 + HE ARG 27 OK 48 100 - 48 - 4542/3.9=15, 4538/2.9=11...(13) Peak 5997 from nnoeabs.peaks (6.83, 9.13, 85.61 ppm; 5.50 A): 3 out of 3 assignments used, quality = 0.73: QD TYR 32 + HE ARG 27 OK 64 99 - 64 - 2.2/4601=38, 4539/2.9=19...(12) QE TYR 70 + HE ARG 27 OK 13 76 - 17 - 4539/2.9=7, 2031/4601=2 HE21 GLN 55 + HE ARG 27 OK 13 63 - 21 - 4539/2.9=5, 5107/6004=2...(7) Peak 5998 from nnoeabs.peaks (3.59, 9.13, 85.61 ppm; 4.26 A): 1 out of 3 assignments used, quality = 0.99: HD3 ARG 27 + HE ARG 27 OK 99 99 - 100 - 2.9=100 HA VAL 66 - HE ARG 27 OK 28 90 - 31 - 1805/2.9=5, 1789/3.9=5...(11) HB3 SER 36 - HE ARG 27 OK 25 76 - 33 - 1805/2.9=6, 1797/3.9=6...(9) Peak 5999 from nnoeabs.peaks (3.19, 9.13, 85.61 ppm; 3.88 A): 1 out of 5 assignments used, quality = 0.98: HD2 ARG 27 + HE ARG 27 OK 98 98 - 100 - 2.9=100 HD3 ARG 28 - HE ARG 27 OK 26 92 - 29 - 1812/2.9=4, 1868/2.9=4...(14) HB2 PHE 80 - HE ARG 27 OK 26 92 - 28 - 5.8/5996=6, 1812/2.9=4...(11) HB3 HIS 42 - HE ARG 27 OK 17 98 - 17 - 1812/2.9=3, ~2220=2...(10) HB2 PHE 57 - HE ARG 27 OK 16 63 - 26 - 5.8/5996=5, 1812/2.9=3...(10) Peak 6000 from nnoeabs.peaks (1.77, 9.13, 85.61 ppm; 5.91 A): 4 out of 14 assignments used, quality = 1.00: HB2 ARG 27 + HE ARG 27 OK 100 100 - 100 - 4.8=100 HB2 LYS 31 + HE ARG 27 OK 68 90 - 75 - 1932/3.9=11, 3.0/6003=8...(20) HB3 ARG 28 + HE ARG 27 OK 61 100 - 62 - ~1821=9, 1837/2.9=7...(20) HB2 ARG 28 + HE ARG 27 OK 55 90 - 61 - ~1821=9, 4.0/5999=6...(20) HD3 LYS 78 - HE ARG 27 OK 37 95 - 39 - 3351/4.8=6, 5829/5996=4...(15) QB ALA 74 - HE ARG 27 OK 35 100 - 35 - 5721/2.9=6, 5717/3.9=5...(10) HB2 LEU 73 - HE ARG 27 OK 31 89 - 36 - ~4551=5, ~4550=3...(14) HB3 MET 48 - HE ARG 27 OK 19 85 - 22 - 4908/5997=5, 4898/3.9=2...(9) HB3 GLN 55 - HE ARG 27 OK 18 81 - 22 - 4.5/5997=5, 5188/5996=2...(7) HG3 GLU 37 - HE ARG 27 OK 15 89 - 17 - 1808/2.9=2, 1792/3.9=2...(6) HB2 MET 48 - HE ARG 27 OK 15 76 - 20 - 4907/5997=3, 1792/3.9=2...(9) QE MET 11 - HE ARG 27 OK 14 100 - 14 - 4241/5998=2, 4243/4592=1 HB2 LYS 65 - HE ARG 27 OK 13 89 - 15 - 3.0/6003=2, 1808/2.9=2...(5) HB2 LYS 91 - HE ARG 27 OK 12 78 - 16 - 1.8/6001=1, 3710/4.8=1...(8) Peak 6001 from nnoeabs.peaks (1.69, 9.13, 85.61 ppm; 6.09 A): 3 out of 11 assignments used, quality = 1.00: HB3 ARG 27 + HE ARG 27 OK 100 100 - 100 - 4.8=100 HB2 LEU 30 + HE ARG 27 OK 84 100 - 84 - 3.1/4595=38, 3.1/4592=14...(21) HB3 LYS 31 + HE ARG 27 OK 72 99 - 73 - 1801/2.9=9, 3.0/6003=8...(18) HD3 LYS 31 - HE ARG 27 OK 42 81 - 52 - 3.0/6003=8, ~1802=8...(16) HG2 LYS 78 - HE ARG 27 OK 41 99 - 41 - 5826/5996=5, 3324/4.8=5...(15) HD2 LYS 31 - HE ARG 27 OK 39 76 - 51 - 3.0/6003=8, ~1802=8...(16) HB3 LEU 73 - HE ARG 27 OK 28 76 - 37 - ~4551=5, ~4550=3...(16) HB3 GLU 51 - HE ARG 27 OK 23 97 - 24 - 4.6/984=6, 3.9/216=2...(11) HB3 LYS 91 - HE ARG 27 OK 17 99 - 17 - 3719/4.8=2, 1809/2.9=2...(10) HB3 LYS 17 - HE ARG 27 OK 12 68 - 18 - 3.7/6002=2, 3.7/6002=2...(9) HB2 LYS 17 - HE ARG 27 OK 12 65 - 17 - 3.7/6002=2, 3.7/6002=2...(9) Peak 6002 from nnoeabs.peaks (1.51, 9.13, 85.61 ppm; 4.49 A): 1 out of 14 assignments used, quality = 0.98: HG3 ARG 27 + HE ARG 27 OK 98 98 - 100 - 3.9=100 QB ALA 71 - HE ARG 27 OK 40 97 - 41 - 5638/4601=11, 5654/2.9=5...(11) HB3 LYS 26 - HE ARG 27 OK 31 98 - 31 - 3868/7.2=9, ~4554=3...(11) QB ALA 72 - HE ARG 27 OK 30 90 - 33 - 5698/4601=10, ~3880=5...(10) HG LEU 34 - HE ARG 27 OK 25 99 - 25 - 2092/3.9=5, 3.0/6003=4...(8) HB2 LYS 56 - HE ARG 27 OK 21 99 - 21 - 1803/2.9=2, 1811/2.9=2...(10) HD2 LYS 56 - HE ARG 27 OK 16 76 - 22 - 1803/2.9=3, 1811/2.9=3...(9) HD3 LYS 17 - HE ARG 27 OK 13 100 - 13 - 1803/2.9=1, 1811/2.9=1...(6) HD2 LYS 17 - HE ARG 27 OK 13 100 - 13 - 1803/2.9=1, 1811/2.9=1...(6) HG2 GLU 37 - HE ARG 27 lone 9 99 - 9 - 2187/4.8=1, 1811/2.9=1 HB2 LEU 85 - HE ARG 27 lone 8 100 - 8 - HD3 LYS 64 - HE ARG 27 lone 8 92 - 8 - 3.8/6003=1 HB3 LEU 87 - HE ARG 27 lone 7 76 - 9 - 1915/4595=1 HB2 ARG 45 - HE ARG 27 lone 4 100 - 4 - Peak 6003 from nnoeabs.peaks (1.43, 9.13, 85.61 ppm; 5.06 A): 2 out of 9 assignments used, quality = 0.98: HG2 ARG 27 + HE ARG 27 OK 97 97 - 100 - 3.9=100 HG2 LYS 31 + HE ARG 27 OK 46 81 - 57 - 1802/2.9=10, 1810/2.9=10...(15) HB3 LEU 34 - HE ARG 27 OK 34 99 - 34 - 1802/2.9=6, 1810/2.9=6...(10) HD2 LYS 44 - HE ARG 27 OK 22 99 - 22 - 1810/2.9=4, 1802/2.9=4...(7) HG3 LYS 78 - HE ARG 27 OK 14 63 - 22 - 3331/4.8=3, 1.8/6001=2...(10) HB3 LYS 64 - HE ARG 27 poor 10 96 - 10 - 1794/3.9=1, 1802/2.9=1 HG2 LYS 65 - HE ARG 27 lone 9 89 - 10 - 2939/4.8=1, 1810/2.9=1 HD2 LYS 64 - HE ARG 27 lone 4 65 - 6 - 1.8/6002=1 HB3 ARG 45 - HE ARG 27 lone 2 71 - 3 - Peak 6004 from nnoeabs.peaks (0.95, 9.13, 85.61 ppm; 4.38 A): 2 out of 2 assignments used, quality = 0.91: QG1 VAL 52 + HE ARG 27 OK 70 99 - 71 - 4547/3.9=12, 4549/2.9=11...(18) QG2 VAL 52 + HE ARG 27 OK 68 97 - 71 - 4547/3.9=12, 4549/2.9=11...(17) Peak 6006 from nnoeabs.peaks (7.05, 7.05, 84.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 45 + HE ARG 45 OK 100 100 - 100 Peak 6008 from nnoeabs.peaks (2.95, 7.05, 84.68 ppm; 4.37 A): 2 out of 8 assignments used, quality = 1.00: HD2 ARG 45 + HE ARG 45 OK 99 99 - 100 - 2.9=100 HD3 ARG 45 + HE ARG 45 OK 99 99 - 100 - 2.9=100 HE2 LYS 31 - HE ARG 45 lone 8 83 - 10 - 3.6/6010=2, 2341/4.0=2 HE3 LYS 31 - HE ARG 45 lone 8 81 - 10 - 3.6/6010=2, 2341/4.0=2 HB3 HIS 15 - HE ARG 45 lone 4 90 - 4 - HE3 LYS 91 - HE ARG 45 lone 3 89 - 4 - HE2 LYS 91 - HE ARG 45 lone 3 89 - 4 - HB2 ASN 24 - HE ARG 45 lone 1 68 - 2 - Peak 6009 from nnoeabs.peaks (2.95, 7.05, 84.68 ppm; 4.37 A): 2 out of 8 assignments used, quality = 1.00: HD2 ARG 45 + HE ARG 45 OK 100 100 - 100 - 2.9=100 HD3 ARG 45 + HE ARG 45 OK 100 100 - 100 - 2.9=100 HE2 LYS 31 - HE ARG 45 lone 8 85 - 10 - 3.6/6010=2, 2341/4.0=2 HE3 LYS 31 - HE ARG 45 lone 8 83 - 10 - 3.6/6010=2, 2341/4.0=2 HB3 HIS 15 - HE ARG 45 lone 4 92 - 4 - HE3 LYS 91 - HE ARG 45 lone 3 90 - 4 - HE2 LYS 91 - HE ARG 45 lone 3 90 - 4 - HB2 ASN 24 - HE ARG 45 lone 1 65 - 2 - Peak 6010 from nnoeabs.peaks (1.31, 7.05, 84.68 ppm; 5.34 A): 1 out of 8 assignments used, quality = 1.00: HG3 ARG 45 + HE ARG 45 OK 100 100 - 100 - 4.0=100 QB ALA 60 - HE ARG 45 OK 40 100 - 41 - 5348=16, 5367/2.9=10...(5) HB2 LYS 26 - HE ARG 45 OK 25 99 - 25 - 4514=7, 1.8/4516=5...(9) HG3 LYS 31 - HE ARG 45 OK 23 92 - 25 - 1966/2.9=3, 1966/2.9=3...(11) HD3 LYS 44 - HE ARG 45 OK 22 73 - 30 - 2340/4.0=8, ~2360=4...(8) HB VAL 50 - HE ARG 45 lone 5 97 - 5 - 2340/4.0=1 HB3 LYS 68 - HE ARG 45 lone 3 78 - 3 - QB ALA 86 - HE ARG 45 lone 2 68 - 2 - Peak 6026 from nnoeabs.peaks (1.58, 8.11, 123.94 ppm; 5.28 A): 0 out of 9 assignments used, low quality = 0.36: HB3 LEU 85 - H ALA 89 OK 21 95 - 22 - 4.3/421=6, 3.0/933=4...(5) HB2 LEU 87 - H ALA 89 OK 20 81 - 25 - 4128/4.6=7, 3.0/933=6...(6) HG LEU 85 - H ALA 89 poor 9 65 - 14 - 3.7/933=4, 4122/4.6=2, ~5963=1 HB2 LYS 68 - H ALA 89 poor 9 71 - 13 - 3.0/4194=3, 4.3/1057=2 HB2 LEU 12 - H ALA 89 lone 8 81 - 9 - 4.0/6=3, 1.8/934=1 HD3 LYS 65 - H ALA 89 lone 4 100 - 4 - 306/4.6=1 HD2 LYS 65 - H ALA 89 lone 4 100 - 4 - 306/4.6=1 HD3 LYS 14 - H ALA 89 lone 2 100 - 2 - HD2 LYS 14 - H ALA 89 lone 2 99 - 2 - Peak 6058 from nnoeabs.peaks (5.16, 8.48, 116.68 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.62: HA PHE 46 + H THR 38 OK 62 100 - 62 - 4806=35, 6055/3.6=32...(4) Peak 6062 from nnoeabs.peaks (4.75, 9.44, 124.37 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.74: HA VAL 50 + H GLU 33 OK 74 100 - 74 - 6061/3.6=29, 3.2/4649=24...(12) Peak 6065 from nnoeabs.peaks (7.59, 7.12, 114.69 ppm; 5.88 A): 2 out of 4 assignments used, quality = 0.94: H VAL 20 + HD22 ASN 18 OK 88 100 - 88 - 4387/4.6=32, 958=20...(18) H LYS 17 + HD22 ASN 18 OK 48 100 - 48 - 4.7/565=17, ~4339=7...(16) HD21 ASN 63 - HD22 ASN 18 OK 27 98 - 27 - 461/3.5=4, 461/3.5=4...(9) H LYS 44 - HD22 ASN 18 OK 20 81 - 25 - 4794/1506=4, 7.2/4330=3...(10) Peak 6066 from nnoeabs.peaks (3.81, 7.92, 114.69 ppm; 6.20 A): 3 out of 4 assignments used, quality = 0.75: HD3 PRO 19 + HD21 ASN 18 OK 62 78 - 79 - 1.8/4340=37, 4346/4.6=31...(8) HD2 PRO 84 + HD21 ASN 18 OK 26 100 - 26 - 4346/4.6=5, 4341/1.7=4...(8) HA ALA 67 + HD21 ASN 18 OK 12 95 - 12 - ~4328=3, 1443/4340=2...(5) HA2 GLY 29 - HD21 ASN 18 lone 3 89 - 3 - Peak 6067 from nnoeabs.peaks (8.07, 8.49, 121.74 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.79: H GLU 51 + H LYS 31 OK 79 99 - 80 - 5087=41, 4.3/4602=30...(15) H THR 83 - H LYS 31 lone 8 100 - 8 - 3971/4602=3, 3968/6125=2 Peak 6068 from nnoeabs.peaks (1.36, 8.25, 120.58 ppm; 4.10 A): 8 out of 33 assignments used, quality = 0.88: QB ALA 86 + H ASP 88 OK 34 89 - 38 - 3.7/1015=13, 2.1/3613=9...(7) QB ALA 67 + H VAL 66 OK 32 60 - 53 - 2.9/310=19, 5507/4.0=14...(9) QB ALA 89 + H ASP 88 OK 28 100 - 28 - ~422=16, 3616=4...(7) HB2 LYS 64 + H VAL 66 OK 24 68 - 36 - 4.6/997=10, 3.0/4169=9...(9) QB ALA 69 + H VAL 66 OK 20 38 - 54 - 4184/3.0=21, ~1055=12...(9) HG2 LYS 68 + H VAL 66 OK 20 64 - 31 - 5556/3.6=10, 4.9/1049=8...(9) QB ALA 67 + H ASP 88 OK 16 95 - 16 - 2.9/310=5, 3.7/1049=4...(5) HB2 LYS 64 + H ASP 88 OK 11 100 - 11 - 4.6/997=3, 3.0/4169=3 HG2 LYS 44 - H VAL 66 poor 10 61 - 16 - 292/4.6=2, 5465/4.0=2...(5) HB3 LEU 12 - H VAL 66 poor 10 53 - 18 - 1173/4.6=4, 4275/4.0=3...(8) HG2 LYS 68 - H ASP 88 lone 10 97 - 10 - 4.9/1049=3 HB3 LYS 56 - H VAL 66 poor 9 50 - 18 - 5465/4.0=2, 2.9/4035=2...(8) HB3 LYS 56 - H ASP 88 lone 8 83 - 10 - 4.0/414=2, 2629/4.6=2 HG2 LYS 44 - H ASP 88 lone 7 96 - 7 - 2284/3.6=1 HB3 LYS 56 - H GLU 22 poor 6 60 - 10 - ~6122=2, 4.0/414=2...(4) QB ALA 89 - H GLU 22 lone 6 81 - 7 - 3.6/960=2, 2.9/421=2 QB ALA 69 - H GLU 22 poor 5 46 - 10 - 3117/3.0=2, 5574/4.0=1...(6) HB3 LEU 12 - H ASP 88 lone 5 87 - 5 - HG2 LYS 44 - H GLU 22 lone 5 73 - 6 - 3.5/68=1, 4.7/1023=1 QB ALA 69 - H ASP 88 lone 5 65 - 7 - 5572/4.6=1, 4184/2997=1 HB2 LYS 64 - H GLU 22 lone 4 80 - 5 - 5430/4.0=1 QB ALA 86 - H GLU 22 lone 4 66 - 6 - 3.7/411=1, ~1548=1 QB ALA 86 - H VAL 66 lone 3 55 - 6 - 3.7/1015=1 HG2 LYS 68 - H GLU 22 lone 3 75 - 4 - HB3 LEU 12 - H GLU 22 lone 3 64 - 5 - QB ALA 89 - H VAL 66 lone 3 68 - 4 - 2.9/421=1 QB ALA 67 - H GLU 22 lone 3 72 - 4 - HG2 LYS 91 - H ASP 88 lone 3 99 - 3 - HG3 LYS 91 - H ASP 88 lone 3 99 - 3 - HG2 LYS 91 - H GLU 22 lone 2 78 - 3 - HG3 LYS 91 - H GLU 22 lone 2 78 - 3 - HG2 LYS 91 - H VAL 66 lone 2 66 - 3 - HG3 LYS 91 - H VAL 66 lone 2 66 - 3 - Peak 6069 from nnoeabs.peaks (4.66, 6.89, 113.25 ppm; 5.73 A): 1 out of 5 assignments used, quality = 0.97: HA ASN 90 + HD22 ASN 90 OK 97 97 - 100 - 4.3=100 HA LYS 56 - HD22 ASN 90 OK 27 100 - 27 - 3692/3.5=9, 3686/3.5=8...(4) HA PHE 57 - HD22 ASN 90 OK 17 99 - 17 - 3692/3.5=5, 6070/1.7=4...(4) HA GLU 33 - HD22 ASN 90 lone 2 68 - 3 - HA HIS 42 - HD22 ASN 90 lone 2 68 - 3 - Peak 6070 from nnoeabs.peaks (4.65, 7.63, 113.25 ppm; 5.96 A): 3 out of 9 assignments used, quality = 0.84: HA ASN 90 + HD21 ASN 90 OK 76 76 - 100 - 4.3=100 HA LYS 56 + HD21 ASN 90 OK 22 92 - 24 - 3692/3.5=7, 6069/1.7=7...(4) HA PHE 57 + HD21 ASN 90 OK 16 99 - 16 - 6069/1.7=5, 3692/3.5=4...(4) HA ASN 24 - HD21 ASN 90 lone 4 85 - 5 - 3.0/3689=1 HA GLU 33 - HD21 ASN 90 lone 3 93 - 4 - HA HIS 42 - HD21 ASN 90 lone 3 93 - 3 - HA ASP 82 - HD21 ASN 90 lone 2 60 - 4 - HA ASN 63 - HD21 ASN 90 lone 2 73 - 3 - HA ARG 27 - HD21 ASN 90 lone 2 60 - 3 - Peak 6125 from nnoeabs.peaks (4.77, 8.49, 121.74 ppm; 5.67 A): 1 out of 1 assignment used, quality = 0.67: HA VAL 50 + H LYS 31 OK 67 89 - 76 - 3.2/4602=47, 3.6/6067=36...(7) Peak 6133 from nnoeabs.peaks (8.02, 9.38, 126.81 ppm; 3.50 A): 1 out of 1 assignment used, quality = 0.81: H GLN 55 + H VAL 52 OK 81 100 - 81 - 5198=48, 5200/3.6=19...(14) Peak 6142 from nnoeabs.peaks (1.98, 8.57, 117.62 ppm; 3.63 A): 9 out of 14 assignments used, quality = 0.95: HB2 PRO 19 + H LEU 73 OK 49 100 - 49 - 4343=12, 1.8/4343=11...(15) HB3 PRO 19 + H LEU 73 OK 47 98 - 48 - 4343=12, 1.8/4343=11...(15) HG2 PRO 19 + H LEU 73 OK 40 92 - 43 - 2.3/4343=10, 2.3/4343=10...(13) HB2 GLU 25 + H LEU 73 OK 22 87 - 25 - 4.1/1077=5, 3.0/1073=3...(11) HB2 GLU 77 + H LEU 73 OK 21 90 - 23 - 3.0/1076=5, 6148/4.4=3...(10) HB2 LEU 76 + H LEU 73 OK 17 60 - 28 - ~4225=4, 4223/3.0=4...(10) HB3 PRO 81 + H LEU 73 OK 15 100 - 15 - 2.3/1075=3, 5681/3.6=2...(7) HE3 LYS 68 + H LEU 73 OK 14 96 - 15 - 3.7/5711=2, 5667/4.6=2...(8) HB2 GLU 51 + H LEU 73 OK 12 99 - 12 - 1.8/5089=4, 5681/3.6=1 HB2 GLN 58 - H LEU 73 lone 7 93 - 8 - 5681/3.6=1 HB2 LYS 78 - H LEU 73 lone 7 85 - 8 - 6141/3.9=2, 6139/3.9=1 HG3 PRO 84 - H LEU 73 lone 5 68 - 7 - 6148/4.4=1 HG2 PRO 84 - H LEU 73 lone 4 81 - 5 - 6141/3.9=1 HB2 LEU 34 - H LEU 73 lone 3 83 - 4 - Peak 6181 from nnoeabs.peaks (2.24, 9.43, 121.51 ppm; 5.62 A): 4 out of 6 assignments used, quality = 0.91: HB2 PRO 84 + H GLU 49 OK 62 96 - 65 - 4972/5.0=14, 4983/5.0=11...(18) HG2 GLU 33 + H GLU 49 OK 52 76 - 68 - 3.0/2044=18, 1.8/2062=17...(15) HE2 LYS 68 + H GLU 49 OK 38 89 - 43 - 3.7/4955=8, 3.7/6183=8...(13) HG3 MET 11 + H GLU 49 OK 19 99 - 19 - 4972/5.0=3, 4983/5.0=2...(6) HG2 GLU 77 - H GLU 49 poor 7 73 - 10 - 2048/2044=2, 2054/2050=1 HG2 GLU 25 - H GLU 49 lone 4 68 - 6 - Peak 6182 from nnoeabs.peaks (1.15, 9.43, 121.51 ppm; 4.61 A): 1 out of 3 assignments used, quality = 0.92: HG12 ILE 35 + H GLU 49 OK 92 97 - 95 - 2.1/4956=27, 4724/3.6=25...(18) HG2 ARG 45 - H GLU 49 poor 10 83 - 12 - 4968/3.7=3, 4986/3.7=3, ~4960=2 HG3 LYS 44 - H GLU 49 poor 10 71 - 14 - 1.8/6183=3, 4968/3.7=2...(5) Peak 6183 from nnoeabs.peaks (1.36, 9.43, 121.51 ppm; 4.93 A): 4 out of 11 assignments used, quality = 0.95: QB ALA 67 + H GLU 49 OK 67 97 - 69 - 5493/4.6=30, 5502/3.6=26...(9) HG2 LYS 68 + H GLU 49 OK 61 99 - 62 - 1.8/4955=9, 4966/3.7=7...(18) HB3 LYS 56 + H GLU 49 OK 42 89 - 48 - 3.0/4932=8, 4.6/4928=7...(16) HB2 LYS 64 + H GLU 49 OK 33 100 - 33 - 4897/4.7=5, 4851/4.7=4...(12) HB3 LEU 12 - H GLU 49 OK 30 92 - 33 - 3.1/4956=12, 4966/3.7=4...(9) HG2 LYS 44 - H GLU 49 OK 24 98 - 24 - 1.8/6182=4, 4847/3.6=3...(10) QB ALA 69 - H GLU 49 OK 12 73 - 17 - 4844/4.6=2, 4897/4.7=2...(5) HG2 LYS 91 - H GLU 49 lone 9 97 - 9 - HG3 LYS 91 - H GLU 49 lone 9 97 - 9 - QB ALA 89 - H GLU 49 lone 4 100 - 4 - QB ALA 86 - H GLU 49 lone 3 83 - 4 - Peak 1101 from cnoeabs.peaks (4.58, 4.58, 56.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 10 + HA HIS 10 OK 100 100 - 100 Peak 1102 from cnoeabs.peaks (3.06, 4.58, 56.14 ppm; 2.77 A): 2 out of 2 assignments used, quality = 0.96: * HB2 HIS 10 + HA HIS 10 OK 81 100 - 81 - 3.0=78, 4.0/1104=9, 4.2/2=7 HB3 HIS 10 + HA HIS 10 OK 81 100 - 81 - 3.0=78, 4.0/1104=9, 4.2/2=7 Peak 1103 from cnoeabs.peaks (3.06, 4.58, 56.14 ppm; 2.77 A): 2 out of 2 assignments used, quality = 0.96: * HB3 HIS 10 + HA HIS 10 OK 81 100 - 81 - 3.0=78, 4.0/1104=9, 4.2/2=7 HB2 HIS 10 + HA HIS 10 OK 81 100 - 81 - 3.0=78, 4.0/1104=9, 4.2/2=7 Peak 1104 from cnoeabs.peaks (7.00, 4.58, 56.14 ppm; 4.22 A): 1 out of 4 assignments used, quality = 0.83: * HD2 HIS 10 + HA HIS 10 OK 83 100 - 83 - 4.7=73, 4.0/1102=17...(4) QD PHE 46 - HA HIS 10 lone 3 97 - 3 - QE PHE 80 - HA HIS 10 lone 2 73 - 3 - 5/3.6=1 HD22 ASN 24 - HA HIS 10 lone 2 65 - 3 - Peak 1105 from cnoeabs.peaks (4.58, 3.06, 30.02 ppm; 3.36 A): 2 out of 12 assignments used, quality = 1.00: * HA HIS 10 + HB2 HIS 10 OK 100 100 - 100 - 3.0=100 HA HIS 10 + HB3 HIS 10 OK 100 100 - 100 - 3.0=100 HA LEU 12 - HB2 HIS 10 poor 7 71 - 11 - 4.0/4269=3, 4.0/4273=3, 2/4.2=2 HA LEU 12 - HB3 HIS 10 poor 7 71 - 11 - 4.0/4269=3, 4.0/4273=3, 2/4.2=2 HA THR 83 - HB2 HIS 10 lone 3 89 - 3 - HA THR 83 - HB3 HIS 10 lone 3 89 - 3 - HA LYS 31 - HB2 HIS 10 lone 2 92 - 2 - HA LYS 31 - HB3 HIS 10 lone 2 92 - 2 - HA SER 36 - HB2 HIS 10 lone 1 73 - 1 - HA SER 36 - HB3 HIS 10 lone 1 73 - 1 - HA ASP 43 - HB2 HIS 10 lone 1 76 - 1 - HA ASP 43 - HB3 HIS 10 lone 1 76 - 1 - Peak 1106 from cnoeabs.peaks (3.06, 3.06, 30.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 10 + HB2 HIS 10 OK 100 100 - 100 HB3 HIS 10 + HB3 HIS 10 OK 100 100 - 100 Peak 1107 from cnoeabs.peaks (3.06, 3.06, 30.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 HIS 10 + HB3 HIS 10 OK 100 100 - 100 HB2 HIS 10 + HB2 HIS 10 OK 100 100 - 100 Reference assignment not found: HB3 HIS 10 - HB2 HIS 10 Peak 1108 from cnoeabs.peaks (7.00, 3.06, 30.02 ppm; 4.65 A): 2 out of 8 assignments used, quality = 1.00: * HD2 HIS 10 + HB2 HIS 10 OK 100 100 - 100 - 4.0=100 HD2 HIS 10 + HB3 HIS 10 OK 100 100 - 100 - 4.0=100 QD PHE 46 - HB2 HIS 10 lone 4 97 - 4 - 1104/3.0=1, 5/4.2=1 QD PHE 46 - HB3 HIS 10 lone 4 97 - 4 - 1104/3.0=1, 5/4.2=1 QE PHE 80 - HB2 HIS 10 lone 3 73 - 4 - 5/4.2=1 QE PHE 80 - HB3 HIS 10 lone 3 73 - 4 - 5/4.2=1 HD22 ASN 24 - HB2 HIS 10 lone 2 65 - 3 - 5/4.2=1 HD22 ASN 24 - HB3 HIS 10 lone 2 65 - 3 - 5/4.2=1 Peak 1109 from cnoeabs.peaks (4.58, 3.06, 30.02 ppm; 3.31 A): 2 out of 12 assignments used, quality = 1.00: * HA HIS 10 + HB3 HIS 10 OK 100 100 - 100 - 3.0=100 HA HIS 10 + HB2 HIS 10 OK 100 100 - 100 - 3.0=100 HA LEU 12 - HB2 HIS 10 poor 7 71 - 10 - 4.0/4269=3, 4.0/4273=3, 2/4.2=2 HA LEU 12 - HB3 HIS 10 poor 7 71 - 10 - 4.0/4269=3, 4.0/4273=3, 2/4.2=2 HA THR 83 - HB3 HIS 10 lone 2 89 - 3 - HA THR 83 - HB2 HIS 10 lone 2 89 - 3 - HA LYS 31 - HB3 HIS 10 lone 1 92 - 2 - HA LYS 31 - HB2 HIS 10 lone 1 92 - 2 - HA SER 36 - HB3 HIS 10 lone 1 73 - 1 - HA SER 36 - HB2 HIS 10 lone 1 73 - 1 - HA ASP 43 - HB3 HIS 10 lone 1 76 - 1 - HA ASP 43 - HB2 HIS 10 lone 1 76 - 1 - Peak 1110 from cnoeabs.peaks (3.06, 3.06, 30.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 HIS 10 + HB3 HIS 10 OK 100 100 - 100 HB2 HIS 10 + HB2 HIS 10 OK 100 100 - 100 Reference assignment not found: HB2 HIS 10 - HB3 HIS 10 Peak 1111 from cnoeabs.peaks (3.06, 3.06, 30.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 HIS 10 + HB3 HIS 10 OK 100 100 - 100 HB2 HIS 10 + HB2 HIS 10 OK 100 100 - 100 Peak 1112 from cnoeabs.peaks (7.00, 3.06, 30.02 ppm; 4.49 A): 2 out of 8 assignments used, quality = 1.00: * HD2 HIS 10 + HB3 HIS 10 OK 100 100 - 100 - 4.0=100 HD2 HIS 10 + HB2 HIS 10 OK 100 100 - 100 - 4.0=100 QD PHE 46 - HB3 HIS 10 lone 4 97 - 4 - 1104/3.0=1 QD PHE 46 - HB2 HIS 10 lone 4 97 - 4 - 1104/3.0=1 QE PHE 80 - HB2 HIS 10 lone 3 73 - 4 - 5/4.2=1 QE PHE 80 - HB3 HIS 10 lone 3 73 - 4 - 5/4.2=1 HD22 ASN 24 - HB3 HIS 10 lone 2 65 - 3 - 5/4.2=1 HD22 ASN 24 - HB2 HIS 10 lone 2 65 - 3 - 5/4.2=1 Peak 1113 from cnoeabs.peaks (4.58, 7.00, 119.73 ppm; 5.31 A): 1 out of 6 assignments used, quality = 1.00: * HA HIS 10 + HD2 HIS 10 OK 100 100 - 100 - 4.7=100 HA LEU 12 - HD2 HIS 10 poor 10 71 - 14 - 4.0/4256=9, 1105/4.0=1...(4) HA THR 83 - HD2 HIS 10 lone 3 89 - 3 - HA LYS 31 - HD2 HIS 10 lone 3 92 - 3 - HA SER 36 - HD2 HIS 10 lone 2 73 - 2 - HA ASP 43 - HD2 HIS 10 lone 2 76 - 2 - Peak 1114 from cnoeabs.peaks (3.06, 7.00, 119.73 ppm; 4.40 A): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 10 + HD2 HIS 10 OK 100 100 - 100 - 4.0=100 HB3 HIS 10 + HD2 HIS 10 OK 100 100 - 100 - 4.0=100 Peak 1115 from cnoeabs.peaks (3.06, 7.00, 119.73 ppm; 4.40 A): 2 out of 2 assignments used, quality = 1.00: * HB3 HIS 10 + HD2 HIS 10 OK 100 100 - 100 - 4.0=100 HB2 HIS 10 + HD2 HIS 10 OK 100 100 - 100 - 4.0=100 Peak 1116 from cnoeabs.peaks (7.00, 7.00, 119.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 10 + HD2 HIS 10 OK 100 100 - 100 Peak 1117 from cnoeabs.peaks (8.10, 4.32, 55.35 ppm; 4.56 A): 1 out of 10 assignments used, quality = 1.00: * H MET 11 + HA MET 11 OK 100 100 - 100 - 3.0=100 H MET 11 - HA LYS 44 OK 19 69 - 27 - 515=6, 4.6/7=4...(12) H LEU 30 - HA MET 11 OK 18 98 - 18 - 515=3, 6/3.6=2...(9) H ALA 89 - HA MET 11 OK 10 99 - 10 - 6/3.6=2 H THR 83 - HA MET 11 poor 8 63 - 12 - 5927/4.0=3, 1145/4.0=1...(4) H ALA 71 - HA MET 11 poor 7 68 - 11 - 1152/5.3=3, 1138/4.0=1, 6/3.6=1 H ALA 89 - HA LYS 44 lone 4 67 - 6 - 4.6/4804=1, 934/3.8=1 H LEU 30 - HA LYS 44 lone 3 65 - 5 - H ALA 71 - HA LYS 44 lone 2 40 - 6 - 5642/3.8=1 H THR 83 - HA LYS 44 lone 1 36 - 2 - Peak 1118 from cnoeabs.peaks (4.32, 4.32, 55.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA MET 11 + HA MET 11 OK 100 100 - 100 HA LYS 44 + HA LYS 44 OK 52 52 - 100 Peak 1119 from cnoeabs.peaks (1.89, 4.32, 55.35 ppm; 3.35 A): 2 out of 16 assignments used, quality = 1.00: * HB2 MET 11 + HA MET 11 OK 100 100 - 100 - 3.0=100 HB3 MET 11 + HA MET 11 OK 100 100 - 100 - 3.0=100 HG3 PRO 81 - HA MET 11 OK 15 68 - 22 - 2.3/1121=5, ~518=2...(8) HB ILE 35 - HA LYS 44 OK 14 49 - 29 - 3923/3.0=6, ~3924=3...(12) HB2 MET 11 - HA LYS 44 OK 11 69 - 16 - 4.2/7=2, 1125=2...(7) HB3 MET 11 - HA LYS 44 OK 11 69 - 16 - 4.2/7=2, 1132=2...(7) HB3 GLN 58 - HA MET 11 OK 11 100 - 10 - 2.9/1122=1, 2750/4.0=1 HD2 LYS 78 - HA MET 11 poor 8 65 - 13 - 1.8/1123=2, 3340/3.0=1...(5) HB3 LYS 78 - HA MET 11 lone 7 73 - 9 - 3.7/1123=1 HB ILE 35 - HA MET 11 lone 4 81 - 5 - 9/3.6=1 HG3 PRO 19 - HA MET 11 lone 2 65 - 3 - HB3 GLN 58 - HA LYS 44 lone 2 69 - 3 - HG3 PRO 19 - HA LYS 44 lone 2 38 - 5 - HB3 LYS 78 - HA LYS 44 lone 1 43 - 1 - HG3 PRO 81 - HA LYS 44 lone 0 40 - 1 - HD2 LYS 78 - HA LYS 44 lone 0 38 - 1 - Peak 1120 from cnoeabs.peaks (1.89, 4.32, 55.35 ppm; 3.35 A): 2 out of 16 assignments used, quality = 1.00: * HB3 MET 11 + HA MET 11 OK 100 100 - 100 - 3.0=100 HB2 MET 11 + HA MET 11 OK 100 100 - 100 - 3.0=100 HB ILE 35 - HA LYS 44 OK 15 52 - 29 - 3923/3.0=6, ~3924=3...(12) HG3 PRO 81 - HA MET 11 OK 14 63 - 22 - 2.3/1121=5, ~518=2...(8) HB3 MET 11 - HA LYS 44 OK 11 69 - 16 - 4.2/7=2, 1132=2...(7) HB2 MET 11 - HA LYS 44 OK 11 69 - 16 - 4.2/7=2, 1125=2...(7) HB3 GLN 58 - HA MET 11 OK 11 100 - 10 - 2.9/1122=1, 2750/4.0=1 HD2 LYS 78 - HA MET 11 poor 7 60 - 12 - 1.8/1123=2, ~1137=1...(5) HB3 LYS 78 - HA MET 11 lone 7 78 - 9 - 3.7/1123=1 HB ILE 35 - HA MET 11 lone 4 85 - 5 - 9/3.6=1 HG3 PRO 19 - HA MET 11 lone 2 71 - 3 - HG3 PRO 19 - HA LYS 44 lone 2 42 - 6 - HB3 GLN 58 - HA LYS 44 lone 2 69 - 3 - HB3 LYS 78 - HA LYS 44 lone 1 47 - 1 - HG3 PRO 81 - HA LYS 44 lone 0 36 - 1 - HD2 LYS 78 - HA LYS 44 lone 0 34 - 1 - Peak 1121 from cnoeabs.peaks (2.31, 4.32, 55.35 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * HG2 MET 11 + HA MET 11 OK 100 100 - 100 - 4.0=100 HB2 PRO 81 - HA MET 11 OK 37 78 - 47 - 1139=10, ~5915=6...(18) HG2 MET 11 - HA LYS 44 OK 13 69 - 18 - 1139=5, 1.8/1146=4...(6) HB2 PRO 81 - HA LYS 44 lone 1 47 - 3 - Peak 1122 from cnoeabs.peaks (2.25, 4.32, 55.35 ppm; 4.09 A): 1 out of 8 assignments used, quality = 1.00: * HG3 MET 11 + HA MET 11 OK 100 100 - 100 - 4.0=100 HB2 PRO 84 - HA MET 11 OK 37 100 - 37 - 1146=9, 519/3.0=6...(10) HG3 GLN 58 - HA MET 11 OK 12 71 - 17 - 2764/3.0=2, 2764/3.0=2...(7) HG3 MET 11 - HA LYS 44 OK 12 69 - 17 - 1146=4, 1.8/1139=3...(6) HE2 LYS 68 - HA MET 11 lone 4 73 - 6 - 11/3.6=2 HG3 GLN 58 - HA LYS 44 lone 3 42 - 8 - 6044/3.0=2, 5283/3.8=1 HE2 LYS 68 - HA LYS 44 lone 3 43 - 7 - 3096/4.8=1, 3097/3.8=1 HB2 PRO 84 - HA LYS 44 lone 3 68 - 4 - Peak 1123 from cnoeabs.peaks (1.77, 4.32, 55.35 ppm; 4.41 A): 8 out of 28 assignments used, quality = 0.93: * QE MET 11 + HA MET 11 OK 82 100 - 82 - 5.3=59, 3.4/1146=22...(9) HD3 LYS 78 + HA MET 11 OK 18 92 - 20 - 1137/3.0=3, 1137/3.0=3...(6) HB2 LYS 31 + HA LYS 44 OK 15 54 - 27 - 1932/4.8=4, 1933/4.8=4...(14) HB2 LYS 65 + HA MET 11 OK 13 85 - 15 - 2917/3.6=6, 3.8/3791=3...(5) QE MET 11 + HA LYS 44 OK 13 69 - 18 - 1153=5, 3.4/1139=3...(7) HB2 ARG 27 + HA LYS 44 OK 12 67 - 17 - 1770/4.8=2, ~2272=2...(5) HB2 LYS 65 + HA LYS 44 OK 12 52 - 22 - ~4793=4, 3.0/4795=3...(7) HB2 LEU 73 + HA MET 11 OK 11 92 - 12 - 6140/3.0=2, 6140/3.0=2...(6) HB3 MET 48 - HA LYS 44 poor 8 55 - 15 - ~4905=4, 4897/3.8=2...(6) HB3 ARG 28 - HA MET 11 lone 6 100 - 6 - HB2 ARG 27 - HA MET 11 lone 5 99 - 5 - HB2 ARG 28 - HA MET 11 lone 5 87 - 5 - HB2 MET 48 - HA LYS 44 poor 5 42 - 11 - ~4905=4, 4851/3.8=1 HB3 MET 48 - HA MET 11 lone 4 89 - 4 - HG3 GLU 37 - HA LYS 44 lone 4 52 - 7 - 3935/4784=1 HB2 LYS 31 - HA MET 11 lone 4 87 - 4 - QB ALA 74 - HA LYS 44 lone 3 67 - 5 - ~4794=2 QB ALA 74 - HA MET 11 lone 3 99 - 3 - HB3 GLN 55 - HA MET 11 lone 3 85 - 4 - HB2 MET 48 - HA MET 11 lone 3 71 - 4 - HB2 LYS 91 - HA LYS 44 lone 3 43 - 7 - 3712/3.8=1 HG3 GLU 37 - HA MET 11 lone 2 85 - 3 - HB3 ARG 28 - HA LYS 44 lone 2 69 - 3 - HB2 LEU 73 - HA LYS 44 lone 1 58 - 2 - HB2 LYS 91 - HA MET 11 lone 1 73 - 2 - HB2 ARG 28 - HA LYS 44 lone 1 54 - 2 - HD3 LYS 78 - HA LYS 44 lone 1 58 - 2 - HB3 GLN 55 - HA LYS 44 lone 1 52 - 2 - Peak 1124 from cnoeabs.peaks (8.10, 1.89, 32.10 ppm; 5.57 A): 2 out of 10 assignments used, quality = 1.00: * H MET 11 + HB2 MET 11 OK 100 100 - 100 - 4.0=100 H MET 11 + HB3 MET 11 OK 100 100 - 100 - 4.0=100 H LEU 30 - HB2 MET 11 OK 21 98 - 21 - 1117/3.0=4, 1152/4.3=4...(7) H LEU 30 - HB3 MET 11 OK 21 98 - 21 - 1117/3.0=4, 1152/4.3=4...(7) H ALA 89 - HB2 MET 11 OK 13 99 - 12 - 6/4.2=3, 1117/3.0=3...(5) H ALA 89 - HB3 MET 11 OK 13 99 - 12 - 6/4.2=3, 1117/3.0=3...(5) H THR 83 - HB2 MET 11 OK 12 63 - 19 - 5927/3.0=5, 1145/3.0=2...(7) H THR 83 - HB3 MET 11 OK 12 63 - 19 - 5927/3.0=5, 1145/3.0=2...(7) H ALA 71 - HB2 MET 11 OK 11 68 - 16 - 1152/4.3=6, 1117/3.0=2...(5) H ALA 71 - HB3 MET 11 OK 11 68 - 16 - 1152/4.3=6, 1117/3.0=2...(5) Peak 1125 from cnoeabs.peaks (4.32, 1.89, 32.10 ppm; 4.04 A): 2 out of 8 assignments used, quality = 1.00: * HA MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HA MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HA LYS 44 - HB2 MET 11 OK 19 85 - 22 - 7/4.2=3, 515/4.0=3...(10) HA LYS 44 - HB3 MET 11 OK 18 85 - 22 - 7/4.2=3, 515/4.0=3...(10) HA THR 13 - HB2 MET 11 OK 14 90 - 15 - 7/4.2=4, ~529=2...(6) HA THR 13 - HB3 MET 11 OK 14 90 - 15 - 7/4.2=4, ~529=2...(6) HA ALA 86 - HB2 MET 11 lone 2 65 - 3 - HA ALA 86 - HB3 MET 11 lone 2 65 - 3 - Peak 1126 from cnoeabs.peaks (1.89, 1.89, 32.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 MET 11 + HB2 MET 11 OK 100 100 - 100 HB3 MET 11 + HB3 MET 11 OK 100 100 - 100 Peak 1127 from cnoeabs.peaks (1.89, 1.89, 32.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 MET 11 + HB3 MET 11 OK 100 100 - 100 HB2 MET 11 + HB2 MET 11 OK 100 100 - 100 Reference assignment not found: HB3 MET 11 - HB2 MET 11 Peak 1128 from cnoeabs.peaks (2.31, 1.89, 32.10 ppm; 3.41 A): 2 out of 4 assignments used, quality = 1.00: * HG2 MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HG2 MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HB2 PRO 81 - HB2 MET 11 OK 39 78 - 49 - 1121/3.0=5, 1149/3.0=4...(25) HB2 PRO 81 - HB3 MET 11 OK 39 78 - 49 - 1121/3.0=5, 1149/3.0=4...(27) Peak 1129 from cnoeabs.peaks (2.25, 1.89, 32.10 ppm; 3.25 A): 2 out of 8 assignments used, quality = 1.00: * HG3 MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HG3 MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HB2 PRO 84 - HB2 MET 11 OK 37 100 - 37 - 1143/3.0=5, 1146/3.0=4...(18) HB2 PRO 84 - HB3 MET 11 OK 37 100 - 37 - 1143/3.0=5, 1146/3.0=4...(18) HG3 GLN 58 - HB2 MET 11 OK 17 71 - 23 - 2764=3, 1.8/2756=3...(8) HG3 GLN 58 - HB3 MET 11 OK 17 71 - 23 - 2764=3, 1.8/2756=3...(8) HE2 LYS 68 - HB2 MET 11 lone 3 73 - 4 - HE2 LYS 68 - HB3 MET 11 lone 3 73 - 4 - Peak 1130 from cnoeabs.peaks (1.77, 1.89, 32.10 ppm; 3.40 A): 2 out of 28 assignments used, quality = 0.91: * QE MET 11 + HB2 MET 11 OK 70 100 - 70 - 4.3=51, 1153/3.0=11...(10) QE MET 11 + HB3 MET 11 OK 70 100 - 70 - 4.3=51, 1153/3.0=11...(10) HD3 LYS 78 - HB3 MET 11 OK 20 92 - 21 - 3350/1.8=2, 3350=2...(8) HD3 LYS 78 - HB2 MET 11 OK 19 92 - 21 - 3350/1.8=2, 3350=2...(6) HB2 LEU 73 - HB2 MET 11 OK 10 92 - 11 - 1.8/6138=2, 6140/1.8=1...(5) HB2 LEU 73 - HB3 MET 11 OK 10 92 - 11 - 1.8/6138=2, 6140/1.8=1...(5) HB2 LYS 65 - HB2 MET 11 lone 6 85 - 8 - 2917/4.2=3 HB2 LYS 65 - HB3 MET 11 lone 6 85 - 8 - 2917/4.2=3 HB3 ARG 28 - HB2 MET 11 lone 3 100 - 3 - HB3 ARG 28 - HB3 MET 11 lone 3 100 - 3 - QB ALA 74 - HB2 MET 11 lone 3 99 - 3 - QB ALA 74 - HB3 MET 11 lone 3 99 - 3 - HB3 MET 48 - HB2 MET 11 lone 3 89 - 3 - HB3 MET 48 - HB3 MET 11 lone 3 88 - 3 - HB2 ARG 28 - HB2 MET 11 lone 2 87 - 3 - HB2 ARG 28 - HB3 MET 11 lone 2 87 - 3 - HB2 ARG 27 - HB3 MET 11 lone 2 99 - 2 - HB2 ARG 27 - HB2 MET 11 lone 2 99 - 2 - HB2 MET 48 - HB2 MET 11 lone 2 71 - 3 - HB2 MET 48 - HB3 MET 11 lone 2 71 - 3 - HB3 GLN 55 - HB3 MET 11 lone 2 85 - 2 - HB3 GLN 55 - HB2 MET 11 lone 2 85 - 2 - HG3 GLU 37 - HB2 MET 11 lone 1 85 - 2 - HG3 GLU 37 - HB3 MET 11 lone 1 85 - 2 - HB2 LYS 31 - HB3 MET 11 lone 1 87 - 1 - HB2 LYS 31 - HB2 MET 11 lone 1 87 - 1 - HB2 LYS 91 - HB3 MET 11 lone 1 73 - 1 - HB2 LYS 91 - HB2 MET 11 lone 1 73 - 1 - Peak 1131 from cnoeabs.peaks (8.10, 1.89, 32.10 ppm; 5.57 A): 2 out of 10 assignments used, quality = 1.00: * H MET 11 + HB3 MET 11 OK 100 100 - 100 - 4.0=100 H MET 11 + HB2 MET 11 OK 100 100 - 100 - 4.0=100 H LEU 30 - HB3 MET 11 OK 21 98 - 21 - 1117/3.0=4, 1152/4.3=4...(7) H LEU 30 - HB2 MET 11 OK 21 98 - 21 - 1117/3.0=4, 1152/4.3=4...(7) H ALA 89 - HB3 MET 11 OK 13 99 - 12 - 6/4.2=3, 1117/3.0=3...(5) H ALA 89 - HB2 MET 11 OK 13 99 - 12 - 6/4.2=3, 1117/3.0=3...(5) H THR 83 - HB2 MET 11 OK 12 63 - 19 - 5927/3.0=5, 1145/3.0=2...(7) H THR 83 - HB3 MET 11 OK 12 63 - 19 - 5927/3.0=5, 1145/3.0=2...(7) H ALA 71 - HB2 MET 11 OK 11 68 - 16 - 1152/4.3=6, 1117/3.0=2...(5) H ALA 71 - HB3 MET 11 OK 11 68 - 16 - 1152/4.3=6, 1117/3.0=2...(5) Peak 1132 from cnoeabs.peaks (4.32, 1.89, 32.10 ppm; 4.04 A): 2 out of 8 assignments used, quality = 1.00: * HA MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HA MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HA LYS 44 - HB3 MET 11 OK 19 85 - 22 - 7/4.2=3, 515/4.0=3...(10) HA LYS 44 - HB2 MET 11 OK 18 85 - 22 - 7/4.2=3, 515/4.0=3...(10) HA THR 13 - HB3 MET 11 OK 14 90 - 15 - 7/4.2=4, ~529=2...(6) HA THR 13 - HB2 MET 11 OK 14 90 - 15 - 7/4.2=4, ~529=2...(6) HA ALA 86 - HB3 MET 11 lone 2 65 - 3 - HA ALA 86 - HB2 MET 11 lone 2 65 - 3 - Peak 1133 from cnoeabs.peaks (1.89, 1.89, 32.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 MET 11 + HB3 MET 11 OK 100 100 - 100 HB2 MET 11 + HB2 MET 11 OK 100 100 - 100 Reference assignment not found: HB2 MET 11 - HB3 MET 11 Peak 1134 from cnoeabs.peaks (1.89, 1.89, 32.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 MET 11 + HB3 MET 11 OK 100 100 - 100 HB2 MET 11 + HB2 MET 11 OK 100 100 - 100 Peak 1135 from cnoeabs.peaks (2.31, 1.89, 32.10 ppm; 3.41 A): 2 out of 4 assignments used, quality = 1.00: * HG2 MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HG2 MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HB2 PRO 81 - HB3 MET 11 OK 38 78 - 49 - 1121/3.0=5, 1149/3.0=4...(27) HB2 PRO 81 - HB2 MET 11 OK 38 78 - 49 - 1121/3.0=5, 1149/3.0=4...(25) Peak 1136 from cnoeabs.peaks (2.25, 1.89, 32.10 ppm; 3.25 A): 2 out of 8 assignments used, quality = 1.00: * HG3 MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HG3 MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HB2 PRO 84 - HB3 MET 11 OK 37 100 - 37 - 1143/3.0=5, 1146/3.0=4...(18) HB2 PRO 84 - HB2 MET 11 OK 37 100 - 37 - 1143/3.0=5, 1146/3.0=4...(18) HG3 GLN 58 - HB3 MET 11 OK 17 71 - 23 - 2764=3, 1.8/2756=3...(8) HG3 GLN 58 - HB2 MET 11 OK 17 71 - 23 - 2764=3, 1.8/2756=3...(8) HE2 LYS 68 - HB2 MET 11 lone 3 73 - 4 - HE2 LYS 68 - HB3 MET 11 lone 3 73 - 4 - Peak 1137 from cnoeabs.peaks (1.77, 1.89, 32.10 ppm; 3.40 A): 3 out of 28 assignments used, quality = 0.93: * QE MET 11 + HB3 MET 11 OK 70 100 - 70 - 4.3=51, 1153/3.0=11...(10) QE MET 11 + HB2 MET 11 OK 70 100 - 70 - 4.3=51, 1153/3.0=11...(10) HD3 LYS 78 + HB3 MET 11 OK 20 92 - 22 - 3350=2, 3350/1.8=2...(8) HD3 LYS 78 - HB2 MET 11 OK 20 92 - 21 - 3350/1.8=2, 3350=2...(8) HB2 LEU 73 - HB3 MET 11 OK 10 92 - 11 - 1.8/6138=2, 6140/1.8=1...(5) HB2 LEU 73 - HB2 MET 11 OK 10 92 - 11 - 1.8/6138=2, 6140/1.8=1...(5) HB2 LYS 65 - HB3 MET 11 lone 6 85 - 8 - 2917/4.2=3 HB2 LYS 65 - HB2 MET 11 lone 6 85 - 8 - 2917/4.2=3 HB3 ARG 28 - HB3 MET 11 lone 3 100 - 3 - HB3 ARG 28 - HB2 MET 11 lone 3 100 - 3 - QB ALA 74 - HB2 MET 11 lone 3 99 - 3 - QB ALA 74 - HB3 MET 11 lone 3 99 - 3 - HB3 MET 48 - HB2 MET 11 lone 3 88 - 3 - HB3 MET 48 - HB3 MET 11 lone 3 89 - 3 - HB2 ARG 28 - HB3 MET 11 lone 2 87 - 3 - HB2 ARG 28 - HB2 MET 11 lone 2 87 - 3 - HB2 ARG 27 - HB3 MET 11 lone 2 99 - 2 - HB2 ARG 27 - HB2 MET 11 lone 2 99 - 2 - HB2 MET 48 - HB2 MET 11 lone 2 71 - 3 - HB2 MET 48 - HB3 MET 11 lone 2 71 - 3 - HB3 GLN 55 - HB3 MET 11 lone 2 85 - 2 - HB3 GLN 55 - HB2 MET 11 lone 2 85 - 2 - HG3 GLU 37 - HB3 MET 11 lone 1 85 - 2 - HG3 GLU 37 - HB2 MET 11 lone 1 85 - 2 - HB2 LYS 31 - HB3 MET 11 lone 1 87 - 1 - HB2 LYS 31 - HB2 MET 11 lone 1 87 - 1 - HB2 LYS 91 - HB3 MET 11 lone 1 73 - 1 - HB2 LYS 91 - HB2 MET 11 lone 1 73 - 1 - Peak 1138 from cnoeabs.peaks (8.10, 2.31, 31.62 ppm; 5.27 A): 1 out of 10 assignments used, quality = 1.00: * H MET 11 + HG2 MET 11 OK 100 100 - 100 - 5.0=100 H MET 11 - HB2 PRO 81 OK 39 72 - 54 - 5915/2.3=14, 518=12...(12) H THR 83 - HB2 PRO 81 OK 27 38 - 71 - 1012/3.9=22, 5930/2.3=21...(9) H LEU 30 - HG2 MET 11 OK 21 98 - 21 - 1152/3.4=4, 518=4...(6) H LEU 30 - HB2 PRO 81 OK 16 67 - 24 - 5915/2.3=14, 3.6/5919=4, 518=3 H THR 83 - HG2 MET 11 OK 14 63 - 22 - 5927=7, 4.5/387=3...(9) H ALA 71 - HB2 PRO 81 OK 12 41 - 29 - 5915/2.3=11, ~5655=3...(9) H ALA 71 - HG2 MET 11 OK 12 68 - 17 - 1152/3.4=6, 1145/1.8=2...(7) H ALA 89 - HG2 MET 11 OK 10 99 - 10 - 1117/4.0=2, 1152/3.4=2...(5) H ALA 89 - HB2 PRO 81 lone 4 70 - 6 - 5915/2.3=3 Peak 1139 from cnoeabs.peaks (4.32, 2.31, 31.62 ppm; 4.26 A): 1 out of 8 assignments used, quality = 1.00: * HA MET 11 + HG2 MET 11 OK 100 100 - 100 - 4.0=100 HA MET 11 - HB2 PRO 81 OK 34 72 - 48 - 1121=12, ~5915=6...(18) HA LYS 44 - HG2 MET 11 OK 15 85 - 18 - 1121=4, 1146/1.8=4...(6) HA THR 13 - HG2 MET 11 poor 10 90 - 11 - 1153/3.4=2, 1146/1.8=2...(5) HA ALA 86 - HG2 MET 11 lone 2 65 - 3 - HA LYS 44 - HB2 PRO 81 lone 2 54 - 3 - HA THR 13 - HB2 PRO 81 lone 1 59 - 2 - HA ALA 86 - HB2 PRO 81 lone 0 40 - 1 - Peak 1140 from cnoeabs.peaks (1.89, 2.31, 31.62 ppm; 3.14 A): 2 out of 16 assignments used, quality = 1.00: * HB2 MET 11 + HG2 MET 11 OK 100 100 - 100 - 3.0=100 HB3 MET 11 + HG2 MET 11 OK 100 100 - 100 - 3.0=100 HB3 GLN 58 - HB2 PRO 81 OK 44 71 - 62 - 2747/1.8=9, 1.8/3478=5...(36) HG3 PRO 81 - HB2 PRO 81 OK 41 41 - 100 - 2.3=100 HB2 MET 11 - HB2 PRO 81 OK 30 72 - 41 - 1128=5, 1.8/1128=4...(21) HB3 MET 11 - HB2 PRO 81 OK 30 71 - 41 - 1128=5, 1.8/1128=4...(20) HG3 PRO 81 - HG2 MET 11 OK 21 68 - 30 - 1.8/3485=4, 2.3/3457=3...(12) HB3 LYS 78 - HB2 PRO 81 OK 14 45 - 31 - 3313/2.3=4, ~3303=3...(15) HB3 GLN 58 - HG2 MET 11 OK 12 100 - 11 - 2750/1.8=2 HG3 PRO 19 - HB2 PRO 81 OK 12 40 - 29 - ~5916=3, ~1476=3...(16) HD2 LYS 78 - HB2 PRO 81 OK 10 40 - 26 - 3340/2.3=4, ~3350=3...(13) HD2 LYS 78 - HG2 MET 11 poor 7 65 - 11 - 3340/3.0=1, 3340/3.0=1 HB3 LYS 78 - HG2 MET 11 lone 6 73 - 8 - HB ILE 35 - HG2 MET 11 lone 5 81 - 6 - ~4743=1 HB ILE 35 - HB2 PRO 81 lone 2 51 - 5 - HG3 PRO 19 - HG2 MET 11 lone 1 65 - 2 - Peak 1141 from cnoeabs.peaks (1.89, 2.31, 31.62 ppm; 3.14 A): 2 out of 16 assignments used, quality = 1.00: * HB3 MET 11 + HG2 MET 11 OK 100 100 - 100 - 3.0=100 HB2 MET 11 + HG2 MET 11 OK 100 100 - 100 - 3.0=100 HB3 GLN 58 - HB2 PRO 81 OK 44 72 - 62 - 2747/1.8=9, 1.8/3478=5...(35) HG3 PRO 81 - HB2 PRO 81 OK 38 38 - 100 - 2.3=100 HB3 MET 11 - HB2 PRO 81 OK 30 72 - 41 - 1128=5, 1.8/1128=4...(20) HB2 MET 11 - HB2 PRO 81 OK 29 71 - 41 - 1128=5, 1.8/1128=4...(20) HG3 PRO 81 - HG2 MET 11 OK 19 63 - 30 - 1.8/3485=4, 2.3/3457=3...(12) HB3 LYS 78 - HB2 PRO 81 OK 15 49 - 31 - 3313/2.3=4, ~3303=3...(15) HG3 PRO 19 - HB2 PRO 81 OK 13 43 - 30 - ~5916=3, ~1476=3...(16) HB3 GLN 58 - HG2 MET 11 OK 12 100 - 11 - 2750/1.8=2 HD2 LYS 78 - HB2 PRO 81 poor 9 36 - 26 - 3340/2.3=4, ~3350=3...(11) HD2 LYS 78 - HG2 MET 11 poor 7 60 - 11 - 3340/3.0=1 HB3 LYS 78 - HG2 MET 11 lone 6 78 - 8 - HB ILE 35 - HG2 MET 11 lone 6 85 - 6 - ~4743=1 HB ILE 35 - HB2 PRO 81 lone 3 54 - 5 - HG3 PRO 19 - HG2 MET 11 lone 2 71 - 2 - Peak 1142 from cnoeabs.peaks (2.31, 2.31, 31.62 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 MET 11 + HG2 MET 11 OK 100 100 - 100 HB2 PRO 81 + HB2 PRO 81 OK 49 49 - 100 Peak 1143 from cnoeabs.peaks (2.25, 2.31, 31.62 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HG3 MET 11 + HG2 MET 11 OK 100 100 - 100 - 1.8=100 HB2 PRO 84 - HG2 MET 11 OK 28 100 - 28 - 1149=7, 1157/3.4=2...(13) HB2 PRO 84 - HB2 PRO 81 OK 27 70 - 38 - 1149=7, 3545/2.3=2...(14) HG3 MET 11 - HB2 PRO 81 OK 20 72 - 28 - 1149=6, 3.4/1156=2...(14) HG3 GLN 58 - HB2 PRO 81 OK 11 43 - 26 - ~2741=4, 2763/1.8=2...(10) HG3 GLN 58 - HG2 MET 11 lone 5 71 - 7 - HE2 LYS 68 - HG2 MET 11 lone 1 73 - 2 - HE2 LYS 68 - HB2 PRO 81 lone 0 45 - 1 - Peak 1144 from cnoeabs.peaks (1.77, 2.31, 31.62 ppm; 4.62 A): 1 out of 28 assignments used, quality = 1.00: * QE MET 11 + HG2 MET 11 OK 100 100 - 100 - 3.4=100 QE MET 11 - HB2 PRO 81 OK 43 72 - 60 - 1156=14, 3.4/1149=6...(26) HD3 LYS 78 - HB2 PRO 81 OK 33 60 - 56 - ~3340=7, 3350/2.3=7...(24) HB3 ARG 28 - HB2 PRO 81 OK 28 71 - 39 - ~3484=4, ~3456=4...(18) HD3 LYS 78 - HG2 MET 11 OK 24 92 - 26 - 1137/3.0=3, 1137/3.0=3...(7) HB2 LEU 73 - HG2 MET 11 OK 22 92 - 24 - ~4243=6, 1151/1.8=2...(10) HB2 ARG 28 - HB2 PRO 81 OK 21 56 - 38 - ~3484=4, ~3456=4...(18) HB2 LEU 73 - HB2 PRO 81 OK 15 60 - 25 - 4206/2.3=4, ~4208=3...(10) QB ALA 74 - HB2 PRO 81 OK 15 69 - 21 - 5721/3.0=5, ~5724=3...(7) HB3 GLN 55 - HB2 PRO 81 OK 11 54 - 21 - ~3484=3, ~3449=2...(10) HB2 LYS 65 - HG2 MET 11 OK 11 85 - 13 - ~4245=2, 3.8/3794=2...(6) HB3 GLN 55 - HG2 MET 11 poor 9 85 - 11 - 4.5/4250=4 HB3 MET 48 - HG2 MET 11 lone 9 89 - 10 - 4877/5538=1, 1151/1.8=1 HB3 ARG 28 - HG2 MET 11 lone 7 100 - 7 - QB ALA 74 - HG2 MET 11 lone 6 99 - 7 - HB2 MET 48 - HG2 MET 11 lone 6 71 - 9 - HB2 ARG 28 - HG2 MET 11 lone 6 87 - 7 - HB2 ARG 27 - HG2 MET 11 lone 6 99 - 6 - HB2 ARG 27 - HB2 PRO 81 lone 6 69 - 8 - HB3 MET 48 - HB2 PRO 81 lone 4 57 - 6 - HG3 GLU 37 - HG2 MET 11 lone 3 85 - 4 - HG3 GLU 37 - HB2 PRO 81 lone 3 54 - 5 - HB2 LYS 31 - HG2 MET 11 lone 3 87 - 3 - HB2 MET 48 - HB2 PRO 81 lone 3 43 - 6 - HB2 LYS 65 - HB2 PRO 81 lone 3 54 - 5 - HB2 LYS 91 - HG2 MET 11 lone 2 73 - 2 - HB2 LYS 31 - HB2 PRO 81 lone 1 56 - 2 - HB2 LYS 91 - HB2 PRO 81 lone 1 45 - 2 - Peak 1145 from cnoeabs.peaks (8.10, 2.25, 31.62 ppm; 5.21 A): 1 out of 10 assignments used, quality = 1.00: * H MET 11 + HG3 MET 11 OK 100 100 - 100 - 5.0=100 H THR 83 - HB2 PRO 84 OK 41 48 - 86 - ~5932=24, ~5947=23...(13) H MET 11 - HB2 PRO 84 OK 41 86 - 47 - 519=11, 3.0/1122=9...(9) H LEU 30 - HG3 MET 11 OK 19 98 - 19 - 1152/3.4=4, 1117/4.0=3...(6) H THR 83 - HG3 MET 11 OK 16 63 - 25 - 4.8/3530=8, 4.8/3523=6...(7) H ALA 71 - HG3 MET 11 OK 11 68 - 17 - 1152/3.4=5, 1138/1.8=2...(6) H ALA 89 - HG3 MET 11 lone 10 99 - 10 - 1117/4.0=2, 1152/3.4=2...(5) H ALA 71 - HB2 PRO 84 poor 9 52 - 17 - 1066/3.0=4, 5944/3.0=2...(6) H LEU 30 - HB2 PRO 84 lone 8 82 - 10 - 123/3.0=2, 5944/3.0=2...(4) H ALA 89 - HB2 PRO 84 lone 3 84 - 4 - Peak 1146 from cnoeabs.peaks (4.32, 2.25, 31.62 ppm; 3.66 A): 3 out of 8 assignments used, quality = 0.93: * HA MET 11 + HG3 MET 11 OK 89 100 - 89 - 4.0=77, 1153/3.4=13...(14) HA MET 11 + HB2 PRO 84 OK 27 86 - 31 - 1122=8, 3.0/519=5...(9) HA LYS 44 + HG3 MET 11 OK 11 85 - 13 - 1139/1.8=3, 1122=2...(6) HA THR 13 - HG3 MET 11 lone 8 90 - 8 - 1153/3.4=2, 1139/1.8=2...(5) HA THR 13 - HB2 PRO 84 lone 3 73 - 4 - 4286/4.3=1 HA LYS 44 - HB2 PRO 84 lone 2 67 - 3 - HA ALA 86 - HG3 MET 11 lone 1 65 - 2 - HA ALA 86 - HB2 PRO 84 lone 0 50 - 1 - Peak 1147 from cnoeabs.peaks (1.89, 2.25, 31.62 ppm; 2.94 A): 2 out of 16 assignments used, quality = 1.00: * HB2 MET 11 + HG3 MET 11 OK 97 100 - 97 - 3.0=95, 3.0/1146=11...(11) HB3 MET 11 + HG3 MET 11 OK 97 100 - 97 - 3.0=95, 3.0/1146=11...(11) HB ILE 35 - HB2 PRO 84 OK 30 63 - 47 - 3.2/4743=6, 2118/2.3=5...(26) HG3 PRO 19 - HB2 PRO 84 OK 28 50 - 56 - ~1476=4, 2.3/3523=3...(36) HB2 MET 11 - HB2 PRO 84 OK 27 86 - 31 - 1129=4, 3.0/1143=4...(16) HB3 MET 11 - HB2 PRO 84 OK 27 86 - 32 - 1136=4, 3.0/1143=4...(16) HB3 GLN 58 - HB2 PRO 84 OK 27 86 - 31 - 2750=3, 2747/2.3=3...(17) HG3 PRO 81 - HB2 PRO 84 OK 23 52 - 45 - 2.3/1149=5, 3494/1.8=3...(27) HG3 PRO 81 - HG3 MET 11 OK 19 68 - 27 - 2.3/1149=4, ~3485=3...(13) HB3 GLN 58 - HG3 MET 11 OK 12 100 - 12 - 2750=1 HB3 LYS 78 - HB2 PRO 84 OK 11 57 - 19 - 3309/2.3=2, ~3300=2...(7) HD2 LYS 78 - HB2 PRO 84 poor 7 50 - 14 - 3340/1.8=2, ~3350=2...(6) HD2 LYS 78 - HG3 MET 11 lone 6 65 - 10 - 1.8/1151=1 HB ILE 35 - HG3 MET 11 lone 6 81 - 7 - 3.2/4743=2 HB3 LYS 78 - HG3 MET 11 lone 5 73 - 7 - HG3 PRO 19 - HG3 MET 11 lone 1 65 - 2 - Peak 1148 from cnoeabs.peaks (1.89, 2.25, 31.62 ppm; 2.94 A): 2 out of 16 assignments used, quality = 1.00: * HB3 MET 11 + HG3 MET 11 OK 97 100 - 97 - 3.0=95, 3.0/1146=11...(11) HB2 MET 11 + HG3 MET 11 OK 97 100 - 97 - 3.0=95, 3.0/1146=11...(11) HB ILE 35 - HB2 PRO 84 OK 32 67 - 48 - 3.2/4743=6, 2118/2.3=5...(26) HG3 PRO 19 - HB2 PRO 84 OK 31 54 - 56 - ~1476=4, 2.3/3523=3...(36) HB3 MET 11 - HB2 PRO 84 OK 27 86 - 32 - 1136=4, 3.0/1143=4...(16) HB2 MET 11 - HB2 PRO 84 OK 27 86 - 32 - 1129=4, 3.0/1143=4...(16) HB3 GLN 58 - HB2 PRO 84 OK 27 86 - 31 - 2750=3, 2747/2.3=3...(17) HG3 PRO 81 - HB2 PRO 84 OK 21 48 - 45 - 2.3/1149=5, ~3459=3...(27) HG3 PRO 81 - HG3 MET 11 OK 17 63 - 27 - 2.3/1149=4, ~3485=3...(13) HB3 GLN 58 - HG3 MET 11 OK 12 100 - 12 - 2750=1 HB3 LYS 78 - HB2 PRO 84 OK 12 61 - 19 - 3309/2.3=2, ~3300=2...(7) HB ILE 35 - HG3 MET 11 lone 6 85 - 7 - 3.2/4743=2 HD2 LYS 78 - HB2 PRO 84 poor 6 45 - 13 - 3340/1.8=2, ~3350=2...(6) HD2 LYS 78 - HG3 MET 11 lone 6 60 - 10 - 1.8/1151=1 HB3 LYS 78 - HG3 MET 11 lone 5 78 - 7 - HG3 PRO 19 - HG3 MET 11 lone 2 71 - 2 - Peak 1149 from cnoeabs.peaks (2.31, 2.25, 31.62 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HG2 MET 11 + HG3 MET 11 OK 100 100 - 100 - 1.8=100 HG2 MET 11 - HB2 PRO 84 OK 25 86 - 29 - 1143=7, 3.4/1157=2...(14) HB2 PRO 81 - HB2 PRO 84 OK 24 61 - 40 - 1143=7, 3473/1.8=3...(16) HB2 PRO 81 - HG3 MET 11 OK 21 78 - 27 - 1143=5, 1156/3.4=2...(13) Peak 1150 from cnoeabs.peaks (2.25, 2.25, 31.62 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 MET 11 + HG3 MET 11 OK 100 100 - 100 HB2 PRO 84 + HB2 PRO 84 OK 85 85 - 100 Peak 1151 from cnoeabs.peaks (1.77, 2.25, 31.62 ppm; 4.28 A): 2 out of 28 assignments used, quality = 1.00: * QE MET 11 + HG3 MET 11 OK 100 100 - 100 - 3.4=100 QE MET 11 + HB2 PRO 84 OK 49 86 - 57 - 1157=14, 3.4/1143=6...(23) HD3 LYS 78 - HB2 PRO 84 OK 26 74 - 35 - 3350/1.8=4, ~3340=3...(17) HB2 LEU 73 - HB2 PRO 84 OK 22 74 - 30 - ~5713=4, 6140/1.8=4...(11) HD3 LYS 78 - HG3 MET 11 OK 21 92 - 23 - 1137/3.0=3, 1137/3.0=3...(5) HB2 LEU 73 - HG3 MET 11 OK 18 92 - 20 - ~4243=5, 6140/3.0=2...(8) HB3 MET 48 - HB2 PRO 84 OK 10 71 - 14 - 4.7/6181=5, ~4888=1, 2429/2.3=1 HB2 LYS 65 - HG3 MET 11 poor 9 85 - 11 - 3.8/3795=2, ~4245=2, 1123/4.0=1 HB3 MET 48 - HG3 MET 11 lone 8 89 - 9 - 4.7/6181=2 HB2 MET 48 - HB2 PRO 84 poor 8 54 - 14 - 4.7/6181=5, ~4888=1 HB3 GLN 55 - HG3 MET 11 lone 7 85 - 8 - 4.5/4249=2 HB2 MET 48 - HG3 MET 11 lone 6 71 - 9 - 4.7/6181=2 HG3 GLU 37 - HB2 PRO 84 lone 6 67 - 9 - ~2185=2, 2191/1.8=1 HB3 ARG 28 - HG3 MET 11 lone 6 100 - 6 - QB ALA 74 - HG3 MET 11 lone 6 99 - 6 - HB2 ARG 27 - HG3 MET 11 lone 5 99 - 5 - HB2 ARG 28 - HG3 MET 11 lone 5 87 - 6 - HB3 ARG 28 - HB2 PRO 84 lone 3 86 - 4 - ~4559=2 HG3 GLU 37 - HG3 MET 11 lone 3 85 - 4 - QB ALA 74 - HB2 PRO 84 lone 3 84 - 3 - HB2 ARG 28 - HB2 PRO 84 lone 3 69 - 4 - ~4559=2 HB2 LYS 31 - HG3 MET 11 lone 2 87 - 3 - HB2 LYS 65 - HB2 PRO 84 lone 2 67 - 3 - HB3 GLN 55 - HB2 PRO 84 lone 2 67 - 3 - HB2 ARG 27 - HB2 PRO 84 lone 2 84 - 2 - HB2 LYS 91 - HG3 MET 11 lone 1 73 - 2 - HB2 LYS 31 - HB2 PRO 84 lone 1 69 - 2 - HB2 LYS 91 - HB2 PRO 84 lone 1 57 - 2 - Peak 1152 from cnoeabs.peaks (8.10, 1.77, 16.19 ppm; 6.20 A): 1 out of 5 assignments used, quality = 1.00: * H MET 11 + QE MET 11 OK 100 100 - 100 - 6.2=100 H ALA 71 - QE MET 11 OK 43 68 - 63 - 4.5/4246=31, 4.6/4252=16...(16) H LEU 30 - QE MET 11 OK 31 98 - 31 - 4.8/4243=7, 1117/5.3=4...(11) H ALA 89 - QE MET 11 OK 13 99 - 13 - 1117/5.3=2, 1138/3.4=2...(5) H THR 83 - QE MET 11 OK 11 63 - 18 - 5927/3.4=6, 1145/3.4=3...(6) Peak 1153 from cnoeabs.peaks (4.32, 1.77, 16.19 ppm; 4.89 A): 3 out of 4 assignments used, quality = 0.95: * HA MET 11 + QE MET 11 OK 93 100 - 93 - 5.3=80, 1146/3.4=26...(10) HA LYS 44 + QE MET 11 OK 16 85 - 19 - 1139/3.4=3, 1146/3.4=3...(7) HA THR 13 + QE MET 11 OK 13 90 - 14 - 1146/3.4=2, 1139/3.4=2...(6) HA ALA 86 - QE MET 11 lone 2 65 - 3 - Peak 1154 from cnoeabs.peaks (1.89, 1.77, 16.19 ppm; 4.18 A): 2 out of 8 assignments used, quality = 1.00: * HB2 MET 11 + QE MET 11 OK 98 100 - 98 - 4.3=95, 3.0/1153=18...(10) HB3 MET 11 + QE MET 11 OK 98 100 - 98 - 4.3=95, 3.0/1153=18...(10) HG3 PRO 81 - QE MET 11 OK 26 68 - 38 - 2.3/1156=10, ~3485=4...(14) HB3 GLN 58 - QE MET 11 OK 15 100 - 14 - 2750/3.4=2, 2.9/1157=2 HB3 LYS 78 - QE MET 11 OK 11 73 - 15 - 1.8/3304=1, 3314=1...(4) HD2 LYS 78 - QE MET 11 poor 10 65 - 15 - 3340/4.3=1, ~1151=1...(5) HB ILE 35 - QE MET 11 lone 8 81 - 10 - ~6165=1, ~4743=1, ~6163=1 HG3 PRO 19 - QE MET 11 lone 4 65 - 6 - Peak 1155 from cnoeabs.peaks (1.89, 1.77, 16.19 ppm; 4.18 A): 2 out of 8 assignments used, quality = 1.00: * HB3 MET 11 + QE MET 11 OK 98 100 - 98 - 4.3=95, 3.0/1153=18...(10) HB2 MET 11 + QE MET 11 OK 98 100 - 98 - 4.3=95, 3.0/1153=18...(10) HG3 PRO 81 - QE MET 11 OK 24 63 - 38 - 2.3/1156=10, ~3485=4...(14) HB3 GLN 58 - QE MET 11 OK 15 100 - 14 - 2750/3.4=2, 2.9/1157=2 HB3 LYS 78 - QE MET 11 OK 12 78 - 15 - 1.8/3304=1, 3314=1...(4) HD2 LYS 78 - QE MET 11 poor 9 60 - 15 - ~1151=1, 3340/4.3=1...(5) HB ILE 35 - QE MET 11 lone 8 85 - 10 - ~6165=1, ~4743=1, ~6163=1 HG3 PRO 19 - QE MET 11 lone 5 71 - 7 - Peak 1156 from cnoeabs.peaks (2.31, 1.77, 16.19 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 11 + QE MET 11 OK 100 100 - 100 - 3.4=100 HB2 PRO 81 - QE MET 11 OK 39 78 - 50 - 1149/3.4=5, 1121/5.3=4...(22) Peak 1157 from cnoeabs.peaks (2.25, 1.77, 16.19 ppm; 3.94 A): 2 out of 4 assignments used, quality = 1.00: * HG3 MET 11 + QE MET 11 OK 100 100 - 100 - 3.4=100 HB2 PRO 84 + QE MET 11 OK 46 100 - 46 - 1143/3.4=6, 1151=6...(21) HG3 GLN 58 - QE MET 11 OK 11 71 - 15 - 2.9/1155=2, 2764/4.3=1...(6) HE2 LYS 68 - QE MET 11 lone 7 73 - 10 - 4.9/4245=3, 3.7/6101=1 Peak 1158 from cnoeabs.peaks (1.77, 1.77, 16.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 11 + QE MET 11 OK 100 100 - 100 Peak 1159 from cnoeabs.peaks (7.86, 4.61, 53.77 ppm; 4.43 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 12 + HA LEU 12 OK 100 100 - 100 - 3.0=100 H LYS 65 + HA LEU 12 OK 49 97 - 51 - 1166/3.0=8, 1173/3.0=8...(18) HD21 ASN 24 - HA LEU 12 OK 33 93 - 35 - 1166/3.0=5, 4500/4.0=5...(15) H PHE 80 - HA LEU 12 OK 30 99 - 31 - 1187/4.0=5, 383/3.7=5...(8) Peak 1160 from cnoeabs.peaks (4.61, 4.61, 53.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 12 + HA LEU 12 OK 100 100 - 100 Peak 1161 from cnoeabs.peaks (1.60, 4.61, 53.77 ppm; 4.45 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LEU 12 + HA LEU 12 OK 100 100 - 100 - 3.0=100 HD3 LYS 65 + HA LEU 12 OK 48 87 - 55 - 523/3.0=6, ~2937=5...(26) HB2 LYS 68 + HA LEU 12 OK 46 100 - 47 - 1175/3.0=7, 1189/4.0=5...(16) HD2 LYS 65 - HA LEU 12 OK 44 81 - 55 - 523/3.0=6, ~2937=5...(26) HD2 LYS 14 - HA LEU 12 OK 17 92 - 19 - ~4275=2, 1175/3.0=2...(10) HD3 LYS 14 - HA LEU 12 OK 17 90 - 19 - ~4275=2, 1175/3.0=2...(10) HG LEU 23 - HA LEU 12 OK 11 96 - 11 - 1175/3.0=1, 1189/4.0=1 HG LEU 73 - HA LEU 12 lone 8 83 - 10 - 15/3.6=3, ~6107=1 HB2 LEU 87 - HA LEU 12 lone 7 100 - 7 - HB3 LEU 85 - HA LEU 12 lone 7 99 - 7 - HG LEU 85 - HA LEU 12 lone 7 99 - 7 - HG LEU 87 - HA LEU 12 lone 7 97 - 7 - Peak 1162 from cnoeabs.peaks (1.38, 4.61, 53.77 ppm; 4.78 A): 3 out of 11 assignments used, quality = 1.00: * HB3 LEU 12 + HA LEU 12 OK 100 100 - 100 - 3.0=100 HB2 LYS 64 + HA LEU 12 OK 56 93 - 60 - 4023/3.0=9, 4.6/1159=6...(22) HG2 LYS 68 + HA LEU 12 OK 49 99 - 50 - 1169/3.0=7, 1190/4.0=6...(18) QB ALA 69 - HA LEU 12 OK 27 98 - 28 - 5582/4.0=4, 1169/3.0=3...(12) QB ALA 67 - HA LEU 12 OK 27 100 - 27 - ~1045=4, 524/3.0=3...(11) HB3 LYS 56 - HA LEU 12 OK 23 100 - 23 - 1197/4.0=2, 1169/3.0=2...(8) HG2 LYS 44 - HA LEU 12 OK 23 99 - 23 - 16/3.6=3, 524/3.0=3...(8) HD3 LYS 56 - HA LEU 12 OK 17 89 - 19 - 1169/3.0=2, 1197/4.0=2...(7) QB ALA 89 - HA LEU 12 lone 7 83 - 9 - ~6026=2, ~6=2 HG3 LYS 91 - HA LEU 12 lone 4 71 - 6 - HG2 LYS 91 - HA LEU 12 lone 4 71 - 6 - Peak 1163 from cnoeabs.peaks (1.46, 4.61, 53.77 ppm; 6.20 A): 5 out of 8 assignments used, quality = 1.00: * HG LEU 12 + HA LEU 12 OK 100 100 - 100 - 3.7=100 HG LEU 79 + HA LEU 12 OK 76 96 - 80 - 2.1/1164=12, 1186/4.0=10...(18) HG2 LYS 65 + HA LEU 12 OK 62 87 - 72 - 2937/3.0=12, 5.0/1159=9...(24) HB3 LYS 64 + HA LEU 12 OK 53 76 - 70 - ~4023=11, 4.6/1159=9...(19) HD2 LYS 64 + HA LEU 12 OK 49 99 - 50 - 3.8/1162=7, ~4025=6...(15) HB3 LEU 76 - HA LEU 12 OK 28 100 - 28 - ~5788=4, ~5784=3...(9) HG3 LYS 78 - HA LEU 12 OK 27 99 - 27 - 1191/4.0=5, 525/3.0=4...(9) HB3 ARG 45 - HA LEU 12 lone 10 97 - 10 - 17/3.6=2 Peak 1164 from cnoeabs.peaks (0.74, 4.61, 53.77 ppm; 4.64 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 12 + HA LEU 12 OK 100 100 - 100 - 4.0=100 QD1 LEU 79 + HA LEU 12 OK 62 98 - 64 - 1171/3.0=10, 1178/3.0=10...(17) QG1 VAL 20 - HA LEU 12 OK 41 100 - 41 - 4415/3.0=7, 1178/3.0=6...(10) QG2 VAL 20 - HA LEU 12 OK 33 90 - 37 - 4401/3.0=6, 1171/3.0=5...(10) HG2 LYS 26 - HA LEU 12 OK 16 100 - 16 - 1178/3.0=3, 1171/3.0=2...(6) QD1 LEU 30 - HA LEU 12 lone 6 73 - 9 - 526/3.0=1 Peak 1165 from cnoeabs.peaks (0.66, 4.61, 53.77 ppm; 3.54 A): 2 out of 2 assignments used, quality = 0.89: * QD2 LEU 12 + HA LEU 12 OK 83 100 - 83 - 4.0=68, 3802/3.6=19...(10) QD1 ILE 35 + HA LEU 12 OK 34 97 - 35 - 1179/3.0=9, 1172/3.0=8...(6) Peak 1166 from cnoeabs.peaks (7.86, 1.60, 43.73 ppm; 4.21 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 12 + HB2 LEU 12 OK 100 100 - 100 - 4.0=100 H LYS 65 + HB2 LEU 12 OK 50 97 - 52 - 1173/1.8=8, 1159/3.0=7...(17) HD21 ASN 24 - HB2 LEU 12 OK 32 93 - 34 - 4500/3.1=5, 1173/1.8=5...(11) H PHE 80 - HB2 LEU 12 OK 29 99 - 29 - 1187/3.1=5, 383/3.0=5...(7) Peak 1167 from cnoeabs.peaks (4.61, 1.60, 43.73 ppm; 4.60 A): 1 out of 11 assignments used, quality = 1.00: * HA LEU 12 + HB2 LEU 12 OK 100 100 - 100 - 3.0=100 HA ASN 24 - HB2 LEU 12 OK 27 83 - 32 - 1174/1.8=4, 4.4/1166=4...(13) HA ASN 63 - HB2 LEU 12 OK 22 92 - 24 - 1174/1.8=4, 1195/3.1=3...(11) HA THR 38 - HB2 LEU 12 OK 22 100 - 22 - 1174/1.8=3, 3.2/4276=3...(8) HA GLU 33 - HB2 LEU 12 OK 17 71 - 24 - ~4653=6, 1195/3.1=4...(7) HA ARG 27 - HB2 LEU 12 OK 15 97 - 15 - 1174/1.8=2, 1188/3.1=2...(6) HA HIS 10 - HB2 LEU 12 OK 14 71 - 20 - ~4273=4, ~4269=4...(7) HA ASP 43 - HB2 LEU 12 OK 11 100 - 11 - 1174/1.8=2, 1195/3.1=2...(4) HA LYS 31 - HB2 LEU 12 lone 10 97 - 10 - 1174/1.8=2, 1188/3.1=1 HA ASP 82 - HB2 LEU 12 lone 8 97 - 9 - 1174/1.8=1, 1195/3.1=1...(4) HA HIS 42 - HB2 LEU 12 lone 2 71 - 3 - Peak 1168 from cnoeabs.peaks (1.60, 1.60, 43.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 12 + HB2 LEU 12 OK 100 100 - 100 Peak 1169 from cnoeabs.peaks (1.38, 1.60, 43.73 ppm; 2.96 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LEU 12 + HB2 LEU 12 OK 100 100 - 100 - 1.8=100 HG2 LYS 68 - HB2 LEU 12 OK 35 99 - 36 - 3055=4, 1190/3.1=3...(17) HB2 LYS 64 - HB2 LEU 12 OK 27 93 - 29 - 1.8/1170=3, 4023/4.0=3...(14) QB ALA 69 - HB2 LEU 12 OK 16 98 - 16 - 2.9/320=3, 5582/3.1=2...(6) QB ALA 67 - HB2 LEU 12 OK 12 100 - 12 - 3.7/831=2, 1197/3.1=1 HB3 LYS 56 - HB2 LEU 12 OK 11 100 - 11 - 1197/3.1=1, 1190/3.1=1 HG2 LYS 44 - HB2 LEU 12 OK 10 99 - 10 - 3.8/4259=1 HD3 LYS 56 - HB2 LEU 12 lone 8 89 - 9 - QB ALA 89 - HB2 LEU 12 lone 3 83 - 3 - HG3 LYS 91 - HB2 LEU 12 lone 2 71 - 2 - HG2 LYS 91 - HB2 LEU 12 lone 2 71 - 2 - Peak 1170 from cnoeabs.peaks (1.46, 1.60, 43.73 ppm; 3.49 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 12 + HB2 LEU 12 OK 100 100 - 100 - 3.0=100 HG LEU 79 + HB2 LEU 12 OK 52 96 - 55 - 2.1/1171=8, 1177/1.8=6...(23) HG2 LYS 65 - HB2 LEU 12 OK 32 87 - 38 - 2937/4.0=4, 1177/1.8=4...(19) HB3 LYS 64 - HB2 LEU 12 OK 28 76 - 36 - 1.8/1169=5, 1177/1.8=4...(18) HD2 LYS 64 - HB2 LEU 12 OK 24 99 - 24 - 1177/1.8=4, 3.8/1169=3...(9) HG3 LYS 78 - HB2 LEU 12 OK 18 99 - 18 - 1191/3.1=3, 1177/1.8=2...(6) HB3 LEU 76 - HB2 LEU 12 OK 14 100 - 14 - 1177/1.8=2, 1191/3.1=2...(4) HB3 ARG 45 - HB2 LEU 12 lone 4 97 - 4 - Peak 1171 from cnoeabs.peaks (0.74, 1.60, 43.73 ppm; 3.47 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 12 + HB2 LEU 12 OK 100 100 - 100 - 3.1=100 QD1 LEU 79 + HB2 LEU 12 OK 53 98 - 55 - 1178/1.8=8, 1199/3.1=6...(24) QG1 VAL 20 - HB2 LEU 12 OK 33 100 - 33 - 1178/1.8=5, 1199/3.1=4...(11) QG2 VAL 20 - HB2 LEU 12 OK 27 90 - 30 - 4401/1.8=5, ~1178=3...(11) HG2 LYS 26 - HB2 LEU 12 OK 13 100 - 13 - 1178/1.8=2, 1199/3.1=1 QD1 LEU 30 - HB2 LEU 12 lone 4 73 - 5 - Peak 1172 from cnoeabs.peaks (0.66, 1.60, 43.73 ppm; 3.97 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 12 + HB2 LEU 12 OK 100 100 - 100 - 3.1=100 QD1 ILE 35 + HB2 LEU 12 OK 53 97 - 55 - 1179/1.8=14, 1165/3.0=10...(10) Peak 1173 from cnoeabs.peaks (7.86, 1.38, 43.73 ppm; 4.74 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 12 + HB3 LEU 12 OK 100 100 - 100 - 4.0=100 H LYS 65 + HB3 LEU 12 OK 63 97 - 65 - 1166/1.8=11, 1159/3.0=8...(22) HD21 ASN 24 - HB3 LEU 12 OK 38 93 - 40 - 1166/1.8=7, 4500/3.1=6...(12) H PHE 80 - HB3 LEU 12 OK 37 99 - 37 - 1187/3.1=7, 1166/1.8=6...(8) Peak 1174 from cnoeabs.peaks (4.61, 1.38, 43.73 ppm; 4.34 A): 1 out of 11 assignments used, quality = 1.00: * HA LEU 12 + HB3 LEU 12 OK 100 100 - 100 - 3.0=100 HA ASN 24 - HB3 LEU 12 OK 24 83 - 29 - 1167/1.8=4, 1188/3.1=4...(13) HA ASN 63 - HB3 LEU 12 OK 23 92 - 25 - 1167/1.8=3, 2.9/5393=3...(12) HA THR 38 - HB3 LEU 12 OK 19 100 - 19 - 1167/1.8=3, 1195/3.1=3...(8) HA GLU 33 - HB3 LEU 12 OK 16 71 - 23 - ~4653=5, 1195/3.1=4...(6) HA ARG 27 - HB3 LEU 12 OK 13 97 - 14 - 1167/1.8=2, 1188/3.1=2...(6) HA HIS 10 - HB3 LEU 12 OK 13 71 - 18 - ~4273=3, ~4269=3...(7) HA ASP 43 - HB3 LEU 12 OK 12 100 - 12 - 3.6/703=2, 1167/1.8=2...(4) HA LYS 31 - HB3 LEU 12 lone 9 97 - 9 - 1167/1.8=1, 1188/3.1=1 HA ASP 82 - HB3 LEU 12 lone 8 97 - 8 - 1167/1.8=1, 1195/3.1=1 HA HIS 42 - HB3 LEU 12 lone 2 71 - 3 - Peak 1175 from cnoeabs.peaks (1.60, 1.38, 43.73 ppm; 3.00 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LEU 12 + HB3 LEU 12 OK 100 100 - 100 - 1.8=100 HB2 LYS 68 - HB3 LEU 12 OK 38 100 - 39 - 3037=4, 1.8/3047=3...(20) HD3 LYS 65 - HB3 LEU 12 OK 27 87 - 31 - 1189/3.1=3, 1196/3.1=2...(12) HD2 LYS 65 - HB3 LEU 12 OK 24 81 - 31 - 2.8/1177=2, 1189/3.1=2...(12) HD2 LYS 14 - HB3 LEU 12 poor 10 92 - 10 - 3.0/4275=1 HD3 LYS 14 - HB3 LEU 12 poor 9 90 - 10 - 3.0/4275=1 HG LEU 23 - HB3 LEU 12 lone 7 96 - 8 - HG LEU 73 - HB3 LEU 12 lone 5 83 - 6 - 2.1/6107=1, 15/4.6=1 HB2 LEU 87 - HB3 LEU 12 lone 4 100 - 4 - HB3 LEU 85 - HB3 LEU 12 lone 4 99 - 4 - HG LEU 85 - HB3 LEU 12 lone 4 99 - 4 - HG LEU 87 - HB3 LEU 12 lone 4 97 - 4 - Peak 1176 from cnoeabs.peaks (1.38, 1.38, 43.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 12 + HB3 LEU 12 OK 100 100 - 100 Peak 1177 from cnoeabs.peaks (1.46, 1.38, 43.73 ppm; 3.55 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 12 + HB3 LEU 12 OK 100 100 - 100 - 3.0=100 HG LEU 79 + HB3 LEU 12 OK 52 96 - 55 - 2.1/1178=8, 1170/1.8=7...(22) HG2 LYS 65 - HB3 LEU 12 OK 34 87 - 39 - 1170/1.8=4, 2937/4.0=4...(22) HB3 LYS 64 - HB3 LEU 12 OK 32 76 - 43 - 1170/1.8=4, 4.6/1173=3...(21) HD2 LYS 64 - HB3 LEU 12 OK 30 99 - 30 - 2869=4, 1170/1.8=3...(11) HG3 LYS 78 - HB3 LEU 12 OK 19 99 - 19 - 1191/3.1=3, 1170/1.8=2...(6) HB3 LEU 76 - HB3 LEU 12 OK 15 100 - 15 - 1170/1.8=2, 1191/3.1=2...(4) HB3 ARG 45 - HB3 LEU 12 lone 5 97 - 5 - Peak 1178 from cnoeabs.peaks (0.74, 1.38, 43.73 ppm; 3.68 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 12 + HB3 LEU 12 OK 100 100 - 100 - 3.1=100 QD1 LEU 79 + HB3 LEU 12 OK 61 98 - 62 - 1171/1.8=9, 1199/3.1=7...(25) QG1 VAL 20 - HB3 LEU 12 OK 39 100 - 40 - 1171/1.8=6, 2.1/4401=6...(13) QG2 VAL 20 - HB3 LEU 12 OK 35 90 - 38 - 4401=7, 1171/1.8=5...(13) HG2 LYS 26 - HB3 LEU 12 OK 16 100 - 16 - 1171/1.8=2, 1199/3.1=2 QD1 LEU 30 - HB3 LEU 12 lone 4 73 - 6 - Peak 1179 from cnoeabs.peaks (0.66, 1.38, 43.73 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 12 + HB3 LEU 12 OK 100 100 - 100 - 3.1=100 QD1 ILE 35 + HB3 LEU 12 OK 54 97 - 56 - 1172/1.8=12, 1165/3.0=9...(13) Peak 1180 from cnoeabs.peaks (7.86, 1.46, 26.47 ppm; 4.16 A): 3 out of 8 assignments used, quality = 0.97: * H LEU 12 + HG LEU 12 OK 83 100 - 83 - 5.2=50, 527/2.1=22...(8) H LYS 65 + HG LEU 12 OK 56 97 - 58 - 1194/2.1=7, 1166/3.0=7...(24) H PHE 80 + HG LEU 79 OK 52 67 - 78 - 382/3.0=31, 385/2.1=16...(11) H PHE 80 - HG LEU 12 OK 45 99 - 45 - 383=8, 1187/2.1=6...(13) H LEU 12 - HG LEU 79 OK 39 70 - 57 - 525=9, 526/2.1=9...(14) HD21 ASN 24 - HG LEU 12 OK 32 93 - 34 - 4500/2.1=6, 1194/2.1=5...(10) H LYS 65 - HG LEU 79 OK 24 64 - 37 - 4101/2.1=5, 4097/3.0=5...(10) HD21 ASN 24 - HG LEU 79 OK 21 60 - 35 - 4500/2.1=6, 4101/2.1=6...(9) Peak 1181 from cnoeabs.peaks (4.61, 1.46, 26.47 ppm; 4.53 A): 1 out of 22 assignments used, quality = 1.00: * HA LEU 12 + HG LEU 12 OK 100 100 - 100 - 3.7=100 HA LEU 12 - HG LEU 79 OK 44 70 - 63 - 1164/2.1=9, 3.0/1170=8...(17) HA ASN 24 - HG LEU 12 OK 24 83 - 30 - 1188/2.1=5, 1195/2.1=4...(12) HA ASN 63 - HG LEU 12 OK 20 92 - 22 - 1195/2.1=4, 1174/3.0=3...(9) HA THR 38 - HG LEU 12 OK 19 100 - 19 - 1195/2.1=3, 1188/2.1=3...(8) HA GLU 33 - HG LEU 12 OK 18 71 - 25 - ~4653=7, 1195/2.1=5...(7) HA HIS 10 - HG LEU 12 OK 14 71 - 20 - ~4269=5, ~4273=5...(7) HA ARG 27 - HG LEU 12 OK 13 97 - 14 - 1188/2.1=2, 1195/2.1=2...(5) HA ASN 24 - HG LEU 79 OK 12 51 - 24 - 4.8/4224=4, ~83=4, ~80=4...(8) HA ASP 43 - HG LEU 12 lone 9 100 - 9 - 1195/2.1=2, 1174/3.0=2...(4) HA LYS 31 - HG LEU 12 lone 8 97 - 8 - 1188/2.1=1, 1174/3.0=1...(4) HA ASP 82 - HG LEU 12 lone 8 97 - 8 - 1195/2.1=1, 1188/2.1=1...(4) HA ARG 27 - HG LEU 79 lone 5 65 - 8 - ~4544=3, ~4543=2, ~100=1 HA ASN 63 - HG LEU 79 lone 5 59 - 8 - ~5869=2 HA ASP 82 - HG LEU 79 lone 3 65 - 4 - ~5923=2 HA LYS 31 - HG LEU 79 lone 3 65 - 4 - ~130=1 HA THR 38 - HG LEU 79 lone 2 68 - 3 - HA HIS 42 - HG LEU 12 lone 2 71 - 3 - HA GLU 33 - HG LEU 79 lone 2 42 - 4 - HA ASP 43 - HG LEU 79 lone 1 69 - 2 - HA HIS 10 - HG LEU 79 lone 1 42 - 2 - HA HIS 42 - HG LEU 79 lone 1 42 - 2 - Peak 1182 from cnoeabs.peaks (1.60, 1.46, 26.47 ppm; 3.30 A): 1 out of 24 assignments used, quality = 1.00: * HB2 LEU 12 + HG LEU 12 OK 100 100 - 100 - 3.0=100 HB2 LEU 12 - HG LEU 79 OK 36 70 - 52 - 1170=8, 1171/2.1=7...(23) HB2 LYS 68 - HG LEU 12 OK 36 100 - 36 - 1189/2.1=5, 1175/3.0=5...(16) HG LEU 23 - HG LEU 79 OK 33 62 - 53 - ~3411=4, 2.1/4478=4...(26) HD3 LYS 65 - HG LEU 12 OK 33 87 - 38 - 1189/2.1=4, 1196/2.1=4...(20) HD2 LYS 65 - HG LEU 12 OK 30 81 - 38 - 1189/2.1=4, 1196/2.1=3...(20) HB2 LYS 68 - HG LEU 79 OK 26 69 - 38 - 5543/2.1=4, 3038/2.1=4...(17) HD2 LYS 14 - HG LEU 12 OK 12 92 - 13 - 1189/2.1=1, 1196/2.1=1...(4) HD3 LYS 14 - HG LEU 12 OK 12 90 - 13 - 1189/2.1=1, 1196/2.1=1...(4) HG LEU 23 - HG LEU 12 OK 10 96 - 10 - 1189/2.1=1, 1196/2.1=1 HD3 LYS 65 - HG LEU 79 poor 6 54 - 10 - HG LEU 73 - HG LEU 79 poor 5 51 - 10 - HG LEU 73 - HG LEU 12 lone 5 83 - 6 - 15/4.9=1 HB2 LEU 87 - HG LEU 12 lone 5 100 - 5 - HD2 LYS 65 - HG LEU 79 poor 5 49 - 10 - HB2 LEU 87 - HG LEU 79 lone 5 70 - 7 - ~5843=1, 3626/5.0=1 HB3 LEU 85 - HG LEU 12 lone 5 99 - 5 - HG LEU 85 - HG LEU 12 lone 5 99 - 4 - HG LEU 87 - HG LEU 12 lone 5 97 - 4 - HG LEU 87 - HG LEU 79 lone 3 64 - 4 - HB3 LEU 85 - HG LEU 79 lone 2 66 - 3 - HG LEU 85 - HG LEU 79 lone 2 68 - 3 - HD2 LYS 14 - HG LEU 79 lone 1 59 - 2 - HD3 LYS 14 - HG LEU 79 lone 1 57 - 2 - Peak 1183 from cnoeabs.peaks (1.38, 1.46, 26.47 ppm; 3.22 A): 1 out of 22 assignments used, quality = 1.00: * HB3 LEU 12 + HG LEU 12 OK 100 100 - 100 - 3.0=100 HB3 LEU 12 - HG LEU 79 OK 34 70 - 48 - 1177=7, 1178/2.1=6...(22) HB2 LYS 64 - HG LEU 12 OK 32 93 - 35 - 2833=4, 1197/2.1=4...(17) HG2 LYS 68 - HG LEU 12 OK 32 99 - 33 - 1190/2.1=5, 1197/2.1=4...(14) HG2 LYS 68 - HG LEU 79 OK 24 66 - 35 - 3058/2.1=5, 6177/2.1=3...(15) QB ALA 69 - HG LEU 12 OK 16 98 - 16 - 5582/2.1=3, 1197/2.1=2...(6) QB ALA 67 - HG LEU 12 OK 13 100 - 13 - 1197/2.1=2, 1190/2.1=2...(4) HB3 LYS 56 - HG LEU 12 OK 12 100 - 12 - 1197/2.1=2, 1190/2.1=2 QB ALA 69 - HG LEU 79 OK 11 66 - 17 - 5582/2.1=4, ~5869=3...(7) HB3 LYS 56 - HG LEU 79 OK 11 69 - 16 - 6177/2.1=2, 2629/5.0=2...(4) HG2 LYS 44 - HG LEU 12 OK 11 99 - 11 - 1190/2.1=2, 1197/2.1=2...(5) HD3 LYS 56 - HG LEU 12 lone 9 89 - 10 - 1197/2.1=1, 1190/2.1=1 HD3 LYS 56 - HG LEU 79 poor 8 56 - 14 - 6177/2.1=2, 2669/5.0=1, ~6177=1 HB2 LYS 64 - HG LEU 79 lone 4 60 - 7 - QB ALA 89 - HG LEU 12 lone 3 83 - 3 - QB ALA 67 - HG LEU 79 lone 2 68 - 3 - HG2 LYS 91 - HG LEU 12 lone 2 71 - 3 - HG3 LYS 91 - HG LEU 12 lone 2 71 - 3 - HG2 LYS 44 - HG LEU 79 lone 1 68 - 2 - QB ALA 89 - HG LEU 79 lone 1 51 - 1 - HG3 LYS 91 - HG LEU 79 lone 0 42 - 1 - HG2 LYS 91 - HG LEU 79 lone 0 42 - 1 - Peak 1184 from cnoeabs.peaks (1.46, 1.46, 26.47 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 12 + HG LEU 12 OK 100 100 - 100 HG LEU 79 + HG LEU 79 OK 62 62 - 100 Peak 1185 from cnoeabs.peaks (0.74, 1.46, 26.47 ppm; 3.50 A): 3 out of 12 assignments used, quality = 1.00: * QD1 LEU 12 + HG LEU 12 OK 100 100 - 100 - 2.1=100 QD1 LEU 79 + HG LEU 79 OK 66 66 - 100 - 2.1=100 QD1 LEU 79 + HG LEU 12 OK 59 98 - 61 - 3409=9, 1199/2.1=9...(22) QD1 LEU 12 - HG LEU 79 OK 42 70 - 60 - 1191=10, 2.1/1198=8...(21) QG1 VAL 20 - HG LEU 12 OK 34 100 - 34 - 1199/2.1=5, 1178/3.0=4...(15) QG1 VAL 20 - HG LEU 79 OK 28 70 - 41 - 4396=5, 3417/2.1=4...(17) QG2 VAL 20 - HG LEU 12 OK 28 90 - 31 - 1199/2.1=4, 4401/3.0=4...(14) QG2 VAL 20 - HG LEU 79 OK 23 57 - 41 - 4402/3.0=5, 2.1/4396=4...(17) HG2 LYS 26 - HG LEU 12 OK 14 100 - 13 - 1199/2.1=2, 1178/3.0=2 HG2 LYS 26 - HG LEU 79 OK 11 69 - 16 - 3417/2.1=2, 3396/3.0=1...(6) QD1 LEU 30 - HG LEU 79 poor 7 44 - 16 - 6078/3.0=3, 6204/5.0=2...(7) QD1 LEU 30 - HG LEU 12 lone 4 73 - 6 - Peak 1186 from cnoeabs.peaks (0.66, 1.46, 26.47 ppm; 3.25 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 12 + HG LEU 12 OK 100 100 - 100 - 2.1=100 QD1 ILE 35 - HG LEU 12 OK 41 97 - 42 - 1193/2.1=8, 1179/3.0=7...(10) QD2 LEU 12 - HG LEU 79 OK 38 70 - 55 - 1198=10, 1199/2.1=8...(22) QD1 ILE 35 - HG LEU 79 lone 5 64 - 7 - 4718/5.0=2 Peak 1187 from cnoeabs.peaks (7.86, 0.74, 24.91 ppm; 4.69 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 12 + QD1 LEU 12 OK 100 100 - 100 - 4.6=100 H LYS 65 + QD1 LEU 12 OK 55 97 - 57 - 1194/2.1=9, 1166/3.1=9...(17) H PHE 80 + QD1 LEU 12 OK 53 99 - 53 - 384=7, 1194/2.1=7...(13) HD21 ASN 24 - QD1 LEU 12 OK 43 93 - 46 - 4500=8, 1.7/4497=8...(12) Peak 1188 from cnoeabs.peaks (4.61, 0.74, 24.91 ppm; 4.03 A): 1 out of 11 assignments used, quality = 1.00: * HA LEU 12 + QD1 LEU 12 OK 100 100 - 100 - 4.0=100 HA ASN 24 - QD1 LEU 12 OK 25 83 - 30 - 1195/2.1=4, 4.4/4500=4...(12) HA HIS 10 - QD1 LEU 12 OK 16 71 - 23 - 3.0/4269=6, 3.0/4269=6...(8) HA ASN 63 - QD1 LEU 12 OK 16 92 - 17 - 1195/2.1=3, 1174/3.1=3...(7) HA THR 38 - QD1 LEU 12 OK 15 100 - 15 - 1195/2.1=3, 1167/3.1=2...(7) HA GLU 33 - QD1 LEU 12 OK 14 71 - 20 - ~4653=6, 1195/2.1=4...(6) HA ARG 27 - QD1 LEU 12 OK 13 97 - 13 - 3.0/100=2, 1195/2.1=2...(5) HA ASP 43 - QD1 LEU 12 lone 7 100 - 7 - 1195/2.1=2, 1174/3.1=1 HA LYS 31 - QD1 LEU 12 lone 7 97 - 7 - 1195/2.1=1, 1174/3.1=1 HA ASP 82 - QD1 LEU 12 lone 6 97 - 6 - 1195/2.1=1 HA HIS 42 - QD1 LEU 12 lone 2 71 - 2 - Peak 1189 from cnoeabs.peaks (1.60, 0.74, 24.91 ppm; 3.13 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LEU 12 + QD1 LEU 12 OK 100 100 - 100 - 3.1=100 HB2 LYS 68 - QD1 LEU 12 OK 38 100 - 38 - 1196/2.1=4, 1175/3.1=4...(18) HD3 LYS 65 - QD1 LEU 12 OK 29 87 - 33 - 1196/2.1=3, 1175/3.1=3...(13) HD2 LYS 65 - QD1 LEU 12 OK 26 81 - 33 - 1196/2.1=3, 2.8/1191=3...(13) HD2 LYS 14 - QD1 LEU 12 OK 10 92 - 11 - 1196/2.1=1, 1175/3.1=1 HD3 LYS 14 - QD1 LEU 12 poor 10 90 - 11 - 1196/2.1=1 HG LEU 23 - QD1 LEU 12 lone 9 96 - 9 - HB2 LEU 87 - QD1 LEU 12 lone 5 100 - 4 - HB3 LEU 85 - QD1 LEU 12 lone 5 99 - 4 - HG LEU 85 - QD1 LEU 12 lone 4 99 - 4 - HG LEU 73 - QD1 LEU 12 lone 4 83 - 5 - HG LEU 87 - QD1 LEU 12 lone 4 97 - 4 - Peak 1190 from cnoeabs.peaks (1.38, 0.74, 24.91 ppm; 3.20 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LEU 12 + QD1 LEU 12 OK 100 100 - 100 - 3.1=100 HG2 LYS 68 - QD1 LEU 12 OK 36 99 - 37 - 1197/2.1=4, 2.9/1189=4...(17) HB2 LYS 64 - QD1 LEU 12 OK 29 93 - 31 - 1197/2.1=4, 1169/3.1=3...(12) QB ALA 69 - QD1 LEU 12 OK 24 98 - 25 - 5582=4, 6188/4267=3...(8) QB ALA 67 - QD1 LEU 12 OK 15 100 - 15 - 1197/2.1=2, 1169/3.1=1...(5) HB3 LYS 56 - QD1 LEU 12 OK 13 100 - 13 - 1197/2.1=2, 1169/3.1=1 HG2 LYS 44 - QD1 LEU 12 OK 12 99 - 12 - 3.8/4265=2, 1197/2.1=2...(4) HD3 LYS 56 - QD1 LEU 12 lone 9 89 - 10 - 1197/2.1=1 QB ALA 89 - QD1 LEU 12 lone 3 83 - 3 - HG3 LYS 91 - QD1 LEU 12 lone 2 71 - 3 - HG2 LYS 91 - QD1 LEU 12 lone 2 71 - 3 - Peak 1191 from cnoeabs.peaks (1.46, 0.74, 24.91 ppm; 3.26 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 12 + QD1 LEU 12 OK 100 100 - 100 - 2.1=100 HG LEU 79 + QD1 LEU 12 OK 54 96 - 56 - 1198/2.1=7, 2.1/3417=6...(23) HG2 LYS 65 - QD1 LEU 12 OK 30 87 - 34 - 1198/2.1=4, 2.8/1189=3...(15) HG3 LYS 78 - QD1 LEU 12 OK 25 99 - 25 - 3.5/4269=3, 3.5/4269=3...(12) HB3 LYS 64 - QD1 LEU 12 OK 23 76 - 30 - 1.8/1190=4, 1198/2.1=3...(11) HD2 LYS 64 - QD1 LEU 12 OK 20 99 - 20 - 1198/2.1=3, 3.8/1190=2...(6) HB3 LEU 76 - QD1 LEU 12 OK 16 100 - 16 - 2.9/4266=2, 1198/2.1=2...(5) HB3 ARG 45 - QD1 LEU 12 lone 3 97 - 3 - Peak 1192 from cnoeabs.peaks (0.74, 0.74, 24.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 12 + QD1 LEU 12 OK 100 100 - 100 Peak 1193 from cnoeabs.peaks (0.66, 0.74, 24.91 ppm; 2.60 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 12 + QD1 LEU 12 OK 100 100 - 100 - 2.1=100 QD1 ILE 35 - QD1 LEU 12 OK 26 97 - 27 - 1186/2.1=4, 1179/3.1=4...(9) Peak 1194 from cnoeabs.peaks (7.86, 0.66, 22.70 ppm; 4.44 A): 2 out of 4 assignments used, quality = 0.99: * H LEU 12 + QD2 LEU 12 OK 97 100 - 97 - 4.6=89, 3.0/1165=28...(7) H LYS 65 + QD2 LEU 12 OK 51 97 - 53 - 1166/3.1=8, 1187/2.1=8...(17) H PHE 80 - QD2 LEU 12 OK 39 99 - 39 - 3.6/4270=7, 1187/2.1=7...(10) HD21 ASN 24 - QD2 LEU 12 OK 35 93 - 37 - 4500/2.1=7, ~4497=5...(10) Peak 1195 from cnoeabs.peaks (4.61, 0.66, 22.70 ppm; 3.19 A): 4 out of 11 assignments used, quality = 0.80: * HA LEU 12 + QD2 LEU 12 OK 70 100 - 70 - 4.0=50, 3.6/3802=15...(10) HA GLU 33 + QD2 LEU 12 OK 15 71 - 21 - 3.0/4653=6, 3.6/6149=3...(7) HA ASN 24 + QD2 LEU 12 OK 13 83 - 16 - 1188/2.1=2, 3.0/4274=2...(8) HA ASN 63 + QD2 LEU 12 OK 11 92 - 12 - 1188/2.1=2, 1174/3.1=2...(7) HA HIS 10 - QD2 LEU 12 poor 10 71 - 14 - 3.0/4273=2, 3.0/4273=2...(5) HA THR 38 - QD2 LEU 12 lone 9 100 - 10 - 1188/2.1=2, 1174/3.1=1...(4) HA ARG 27 - QD2 LEU 12 lone 7 97 - 7 - 1188/2.1=1 HA ASP 43 - QD2 LEU 12 lone 5 100 - 5 - 3.6/4253=1 HA ASP 82 - QD2 LEU 12 lone 4 97 - 4 - HA LYS 31 - QD2 LEU 12 lone 4 97 - 4 - HA HIS 42 - QD2 LEU 12 lone 1 71 - 1 - Peak 1196 from cnoeabs.peaks (1.60, 0.66, 22.70 ppm; 3.53 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LEU 12 + QD2 LEU 12 OK 100 100 - 100 - 3.1=100 HB2 LYS 68 - QD2 LEU 12 OK 40 100 - 40 - 1189/2.1=6, 1175/3.1=5...(17) HD3 LYS 65 - QD2 LEU 12 OK 34 87 - 40 - 1189/2.1=5, 1175/3.1=3...(20) HD2 LYS 65 - QD2 LEU 12 OK 31 81 - 39 - 1189/2.1=4, 2.8/1198=3...(20) HD2 LYS 14 - QD2 LEU 12 OK 12 92 - 13 - 1189/2.1=2, 1175/3.1=1...(4) HD3 LYS 14 - QD2 LEU 12 OK 12 90 - 13 - 1189/2.1=2, 1175/3.1=1...(4) HG LEU 23 - QD2 LEU 12 poor 10 96 - 10 - 1189/2.1=1 HB3 LEU 85 - QD2 LEU 12 lone 6 99 - 5 - HG LEU 85 - QD2 LEU 12 lone 5 99 - 5 - HB2 LEU 87 - QD2 LEU 12 lone 5 100 - 5 - HG LEU 73 - QD2 LEU 12 lone 5 83 - 6 - HG LEU 87 - QD2 LEU 12 lone 5 97 - 5 - Peak 1197 from cnoeabs.peaks (1.38, 0.66, 22.70 ppm; 3.17 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LEU 12 + QD2 LEU 12 OK 100 100 - 100 - 3.1=100 HG2 LYS 68 - QD2 LEU 12 OK 33 99 - 34 - 1190/2.1=5, 1169/3.1=4...(13) HB2 LYS 64 - QD2 LEU 12 OK 29 93 - 31 - 1190/2.1=4, 2833/2.1=3...(12) QB ALA 69 - QD2 LEU 12 OK 18 98 - 18 - 5582/2.1=3, 1169/3.1=2...(6) HB3 LYS 56 - QD2 LEU 12 OK 15 100 - 15 - 1190/2.1=2, 4.6/6149=1...(4) QB ALA 67 - QD2 LEU 12 OK 15 100 - 15 - 2.1/4271=2, 1190/2.1=2...(5) HG2 LYS 44 - QD2 LEU 12 OK 11 99 - 11 - 1190/2.1=2, 1169/3.1=1...(4) HD3 LYS 56 - QD2 LEU 12 poor 10 89 - 11 - 1190/2.1=1 QB ALA 89 - QD2 LEU 12 lone 3 83 - 3 - HG3 LYS 91 - QD2 LEU 12 lone 2 71 - 3 - HG2 LYS 91 - QD2 LEU 12 lone 2 71 - 3 - Peak 1198 from cnoeabs.peaks (1.46, 0.66, 22.70 ppm; 2.96 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 12 + QD2 LEU 12 OK 100 100 - 100 - 2.1=100 HG LEU 79 + QD2 LEU 12 OK 45 96 - 47 - 1186=8, 2.1/1199=7...(22) HG2 LYS 65 - QD2 LEU 12 OK 23 87 - 27 - 1191/2.1=3, 2.8/1196=3...(10) HB3 LYS 64 - QD2 LEU 12 OK 19 76 - 25 - 1.8/1197=4, 1191/2.1=2...(11) HG3 LYS 78 - QD2 LEU 12 OK 17 99 - 17 - 1191/2.1=3, 3.5/4273=1...(7) HD2 LYS 64 - QD2 LEU 12 OK 16 99 - 17 - 3.8/1197=2, 1191/2.1=2...(5) HB3 LEU 76 - QD2 LEU 12 OK 10 100 - 10 - 1191/2.1=2 HB3 ARG 45 - QD2 LEU 12 lone 3 97 - 3 - Peak 1199 from cnoeabs.peaks (0.74, 0.66, 22.70 ppm; 2.74 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 12 + QD2 LEU 12 OK 100 100 - 100 - 2.1=100 QD1 LEU 79 - QD2 LEU 12 OK 38 98 - 39 - 2.1/1198=5, 3409/2.1=4...(20) QG1 VAL 20 - QD2 LEU 12 OK 21 100 - 21 - 4.0/4253=2, 1171/3.1=2...(7) QG2 VAL 20 - QD2 LEU 12 OK 18 90 - 19 - 4.0/4253=2, 4401/3.1=2...(7) HG2 LYS 26 - QD2 LEU 12 lone 8 100 - 8 - QD1 LEU 30 - QD2 LEU 12 lone 2 73 - 2 - Peak 1200 from cnoeabs.peaks (0.66, 0.66, 22.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 12 + QD2 LEU 12 OK 100 100 - 100 Peak 1201 from cnoeabs.peaks (8.44, 4.33, 60.93 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H THR 13 + HA THR 13 OK 100 100 - 100 - 3.0=100 Peak 1202 from cnoeabs.peaks (4.33, 4.33, 60.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 13 + HA THR 13 OK 100 100 - 100 Peak 1203 from cnoeabs.peaks (4.48, 4.33, 60.93 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * HB THR 13 + HA THR 13 OK 100 100 - 100 - 3.0=100 HA2 GLY 61 - HA THR 13 OK 29 99 - 29 - 5378/3.2=7, 4014/3.6=4...(10) HA LYS 17 - HA THR 13 OK 12 60 - 21 - ~4313=7, ~4285=4...(7) Peak 1204 from cnoeabs.peaks (1.10, 4.33, 60.93 ppm; 3.06 A): 3 out of 4 assignments used, quality = 0.93: * QG2 THR 13 + HA THR 13 OK 90 100 - 90 - 3.2=87, 1209/3.0=15, ~1210=3 QG1 VAL 66 + HA THR 13 OK 24 93 - 26 - 1210=6, 1208/3.0=5...(9) HG3 LYS 14 + HA THR 13 OK 12 100 - 11 - 3.0/4284=2, 3.0/4284=2...(5) QG2 THR 38 - HA THR 13 lone 7 76 - 9 - 4.0/4784=2, 1210=2, 1209/3.0=1 Peak 1205 from cnoeabs.peaks (8.44, 4.48, 70.50 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H THR 13 + HB THR 13 OK 100 100 - 100 - 4.0=100 Peak 1206 from cnoeabs.peaks (4.33, 4.48, 70.50 ppm; 3.50 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 13 + HB THR 13 OK 100 100 - 100 - 3.0=100 HA LYS 44 - HB THR 13 lone 9 100 - 9 - 529/4.0=2, 1210/2.1=2...(4) HA MET 11 - HB THR 13 lone 7 90 - 8 - 529/4.0=3, 1210/2.1=2 HA ILE 35 - HB THR 13 lone 5 73 - 6 - ~6151=1, 529/4.0=1 HA ARG 45 - HB THR 13 lone 2 83 - 3 - Peak 1207 from cnoeabs.peaks (4.48, 4.48, 70.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 13 + HB THR 13 OK 100 100 - 100 Peak 1208 from cnoeabs.peaks (1.10, 4.48, 70.50 ppm; 3.41 A): 1 out of 4 assignments used, quality = 1.00: * QG2 THR 13 + HB THR 13 OK 100 100 - 100 - 2.1=100 QG1 VAL 66 - HB THR 13 OK 34 93 - 37 - 1211=6, 1204/3.0=5...(14) HG3 LYS 14 - HB THR 13 OK 11 100 - 10 - 1204/3.0=3, 531/4.0=2, ~4284=1 QG2 THR 38 - HB THR 13 lone 6 76 - 8 - 1204/3.0=2, 531/4.0=1, 1211=1 Peak 1209 from cnoeabs.peaks (8.44, 1.10, 21.44 ppm; 3.61 A): 2 out of 3 assignments used, quality = 0.86: * H THR 13 + QG2 THR 13 OK 82 100 - 82 - 4.0=73, 3.0/1204=22...(7) H THR 13 + QG1 VAL 66 OK 22 80 - 27 - 531=8, 3.0/1204=6...(6) H THR 13 - QG2 THR 38 poor 8 64 - 12 - 531=3, 14/3.2=2...(4) Peak 1210 from cnoeabs.peaks (4.33, 1.10, 21.44 ppm; 3.14 A): 1 out of 15 assignments used, quality = 0.96: * HA THR 13 + QG2 THR 13 OK 96 100 - 96 - 3.2=95, 3.0/1209=16, ~1204=4 HA THR 13 - QG1 VAL 66 OK 23 80 - 29 - 1204=9, 3.0/1208=5...(9) HA LYS 44 - QG2 THR 13 lone 9 100 - 9 - 1206/2.1=2, 529/4.0=2, 21/4.1=1 HA MET 11 - QG2 THR 13 lone 9 90 - 10 - 3.6/4287=3, 529/4.0=2 HA THR 13 - QG2 THR 38 poor 7 64 - 10 - 1204=3, 4784/4.0=2, 3.0/1209=2 HA LYS 44 - QG1 VAL 66 lone 6 80 - 7 - ~5466=2 HA LYS 44 - QG2 THR 38 lone 5 63 - 8 - 4784/4.0=4, 4804/4.2=3 HA ILE 35 - QG1 VAL 66 lone 5 52 - 9 - ~159=1 HA ILE 35 - QG2 THR 13 lone 4 73 - 5 - 1206/2.1=1 HA ARG 45 - QG2 THR 38 lone 2 46 - 5 - 4784/4.0=3 HA ARG 45 - QG2 THR 13 lone 2 83 - 2 - HA MET 11 - QG1 VAL 66 lone 2 67 - 3 - 3.6/4287=1 HA MET 11 - QG2 THR 38 lone 1 52 - 3 - HA ILE 35 - QG2 THR 38 lone 1 40 - 2 - HA ARG 45 - QG1 VAL 66 lone 0 60 - 1 - Peak 1211 from cnoeabs.peaks (4.48, 1.10, 21.44 ppm; 3.02 A): 1 out of 9 assignments used, quality = 1.00: * HB THR 13 + QG2 THR 13 OK 100 100 - 100 - 2.1=100 HA2 GLY 61 - QG1 VAL 66 OK 34 79 - 43 - 5378=12, 1.8/5379=10...(12) HA2 GLY 61 - QG2 THR 13 OK 33 99 - 33 - 5378=9, 1.8/5379=7...(9) HB THR 13 - QG1 VAL 66 OK 25 80 - 31 - 1208=8, 3.0/1204=4...(13) HA LYS 17 - QG2 THR 13 poor 9 60 - 15 - 3.0/4316=4, 3.0/4317=3...(6) HB THR 13 - QG2 THR 38 lone 4 64 - 6 - 1208=1, 3.0/1204=1 HA LYS 17 - QG1 VAL 66 lone 2 41 - 5 - 3.0/4316=1, 3.0/4317=1 HA LYS 17 - QG2 THR 38 lone 1 31 - 4 - 3.0/4316=1 HA2 GLY 61 - QG2 THR 38 lone 0 62 - 1 - Peak 1212 from cnoeabs.peaks (1.10, 1.10, 21.44 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * QG2 THR 13 + QG2 THR 13 OK 100 100 - 100 QG1 VAL 66 + QG1 VAL 66 OK 70 70 - 100 QG2 THR 38 - QG2 THR 38 OK 41 41 - 100 Peak 1213 from cnoeabs.peaks (8.88, 4.10, 57.39 ppm; 5.14 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 14 + HA LYS 14 OK 100 100 - 100 - 3.0=100 H LYS 14 + HA LYS 91 OK 47 97 - 49 - 533=7, ~3718=6, ~3708=6...(19) H SER 62 - HA LYS 14 OK 40 96 - 41 - 793=8, 3.0/2789=7...(11) H SER 62 - HA LYS 91 lone 7 90 - 7 - 793=1 Peak 1214 from cnoeabs.peaks (4.10, 4.10, 57.39 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 14 + HA LYS 14 OK 100 100 - 100 HA LYS 91 + HA LYS 91 OK 97 97 - 100 Peak 1215 from cnoeabs.peaks (1.65, 4.10, 57.39 ppm; 3.00 A): 2 out of 20 assignments used, quality = 1.00: HB3 LYS 14 + HA LYS 14 OK 100 100 - 100 - 3.0=100 * HB2 LYS 14 + HA LYS 14 OK 100 100 - 100 - 3.0=100 HD2 LYS 91 - HA LYS 91 OK 45 93 - 48 - 5.2=19, 3723/3.0=7...(13) HD3 LYS 91 - HA LYS 91 OK 44 93 - 48 - 5.2=19, 3723/3.0=7...(13) HB2 LYS 14 - HA LYS 91 OK 30 97 - 31 - 1224=4, 1.8/1224=3...(18) HB3 LYS 14 - HA LYS 91 OK 30 97 - 31 - 1234=4, 1.8/1224=3...(18) HG2 ARG 28 - HA LYS 91 OK 12 88 - 14 - 3723/3.0=2, 3713/3.0=1 HG3 ARG 28 - HA LYS 91 OK 12 85 - 14 - 3723/3.0=1, 3713/3.0=1 HD2 LYS 91 - HA LYS 14 OK 11 98 - 12 - 3.7/3718=3, 3.7/3708=2 HD3 LYS 91 - HA LYS 14 OK 11 97 - 12 - 3.7/3718=3, 3.7/3708=2 HD2 LYS 31 - HA LYS 91 lone 5 65 - 7 - HD3 LYS 31 - HA LYS 91 lone 4 60 - 7 - HB3 LEU 73 - HA LYS 14 lone 2 71 - 3 - HG2 ARG 28 - HA LYS 14 lone 2 93 - 2 - HG LEU 73 - HA LYS 14 lone 2 63 - 3 - HB3 LEU 73 - HA LYS 91 lone 2 65 - 2 - HG3 ARG 28 - HA LYS 14 lone 2 90 - 2 - HG LEU 73 - HA LYS 91 lone 2 57 - 3 - HD2 LYS 31 - HA LYS 14 lone 1 71 - 1 - HD3 LYS 31 - HA LYS 14 lone 1 65 - 1 - Peak 1216 from cnoeabs.peaks (1.65, 4.10, 57.39 ppm; 3.00 A): 2 out of 20 assignments used, quality = 1.00: * HB3 LYS 14 + HA LYS 14 OK 100 100 - 100 - 3.0=100 HB2 LYS 14 + HA LYS 14 OK 100 100 - 100 - 3.0=100 HD2 LYS 91 - HA LYS 91 OK 45 93 - 48 - 5.2=19, 3723/3.0=7...(13) HD3 LYS 91 - HA LYS 91 OK 44 93 - 48 - 5.2=19, 3723/3.0=7...(13) HB2 LYS 14 - HA LYS 91 OK 30 97 - 31 - 1224=4, 1.8/1224=3...(18) HB3 LYS 14 - HA LYS 91 OK 30 97 - 31 - 1234=4, 1.8/1224=3...(18) HG2 ARG 28 - HA LYS 91 OK 12 88 - 14 - 3723/3.0=2, 3713/3.0=1 HG3 ARG 28 - HA LYS 91 OK 12 85 - 14 - 3723/3.0=1, 3713/3.0=1 HD2 LYS 91 - HA LYS 14 OK 11 98 - 12 - 3.7/3718=3, 3.7/3708=2 HD3 LYS 91 - HA LYS 14 OK 11 97 - 12 - 3.7/3718=3, 3.7/3708=2 HD2 LYS 31 - HA LYS 91 lone 5 65 - 7 - HD3 LYS 31 - HA LYS 91 lone 4 60 - 7 - HB3 LEU 73 - HA LYS 14 lone 2 71 - 3 - HG2 ARG 28 - HA LYS 14 lone 2 93 - 2 - HG LEU 73 - HA LYS 14 lone 2 63 - 3 - HB3 LEU 73 - HA LYS 91 lone 2 65 - 2 - HG3 ARG 28 - HA LYS 14 lone 2 90 - 2 - HG LEU 73 - HA LYS 91 lone 2 57 - 3 - HD2 LYS 31 - HA LYS 14 lone 1 71 - 1 - HD3 LYS 31 - HA LYS 14 lone 1 65 - 1 - Peak 1217 from cnoeabs.peaks (1.20, 4.10, 57.39 ppm; 4.15 A): 2 out of 18 assignments used, quality = 1.00: * HG2 LYS 14 + HA LYS 14 OK 100 100 - 100 - 4.0=100 HG3 LYS 26 + HA LYS 14 OK 51 100 - 51 - 1.8/1699=7, 3.0/1729=7...(15) HG2 LYS 14 - HA LYS 91 OK 33 97 - 35 - 1.8/1218=7, 4.9/1213=4...(13) HG3 LYS 26 - HA LYS 91 OK 22 96 - 22 - 1.8/1699=3, 2.9/1679=3...(9) HG3 LYS 44 - HA LYS 91 OK 10 68 - 15 - ~3712=1, ~3711=1, ~946=1...(7) QG2 THR 83 - HA LYS 14 lone 10 97 - 10 - HD2 LYS 68 - HA LYS 14 poor 8 73 - 11 - 1257/4.0=1 HD3 LYS 68 - HA LYS 14 poor 8 71 - 11 - 1257/4.0=1 HG3 LYS 44 - HA LYS 14 lone 7 73 - 10 - 1257/4.0=1, 1243/3.0=1 QD1 LEU 34 - HA LYS 14 lone 5 92 - 5 - QG2 THR 83 - HA LYS 91 lone 4 92 - 4 - HD2 LYS 68 - HA LYS 91 lone 4 68 - 5 - HD3 LYS 68 - HA LYS 91 lone 4 65 - 5 - QD1 LEU 34 - HA LYS 91 lone 2 86 - 2 - HG13 ILE 35 - HA LYS 14 lone 1 63 - 2 - HG2 ARG 45 - HA LYS 14 lone 1 60 - 2 - HG2 ARG 45 - HA LYS 91 lone 1 55 - 2 - HG13 ILE 35 - HA LYS 91 lone 1 57 - 1 - Peak 1218 from cnoeabs.peaks (1.10, 4.10, 57.39 ppm; 4.10 A): 1 out of 8 assignments used, quality = 1.00: * HG3 LYS 14 + HA LYS 14 OK 100 100 - 100 - 4.0=100 HG3 LYS 14 - HA LYS 91 OK 33 97 - 34 - 1254=7, 1.8/1217=5...(13) QG1 VAL 66 - HA LYS 14 OK 27 87 - 31 - 2.1/5462=7, 2.1/6095=5...(9) QG2 THR 13 - HA LYS 14 OK 12 100 - 12 - ~4284=2, 1228/3.0=2...(4) QG2 THR 13 - HA LYS 91 lone 7 96 - 7 - 4.1/1213=4 QG1 VAL 66 - HA LYS 91 lone 6 81 - 7 - 2.1/5462=2, 4.3/5516=1 QG2 THR 38 - HA LYS 14 lone 3 85 - 3 - QG2 THR 38 - HA LYS 91 lone 1 79 - 2 - Peak 1219 from cnoeabs.peaks (1.58, 4.10, 57.39 ppm; 3.45 A): 4 out of 22 assignments used, quality = 0.94: * HD2 LYS 14 + HA LYS 14 OK 66 100 - 66 - 4.9=35, 1239/3.0=6...(23) HD3 LYS 14 + HA LYS 14 OK 66 100 - 66 - 4.9=35, 1229/3.0=6...(23) HD3 LYS 65 + HA LYS 14 OK 29 100 - 29 - 1260/4.0=3, 1274=3...(14) HD2 LYS 65 + HA LYS 14 OK 29 99 - 29 - 1260/4.0=3, 1274=3...(14) HD2 LYS 14 - HA LYS 91 OK 19 97 - 19 - 3.0/1218=4, 3.0/1217=3...(9) HD3 LYS 14 - HA LYS 91 OK 19 97 - 19 - 3.0/1218=4, 3.0/1217=3...(9) HB2 LYS 68 - HA LYS 14 lone 5 85 - 6 - HG LEU 23 - HA LYS 91 lone 5 60 - 8 - ~3857=2, ~3856=2...(4) HD3 LYS 65 - HA LYS 91 lone 3 97 - 3 - HD2 LYS 65 - HA LYS 91 lone 3 95 - 3 - HB2 LYS 68 - HA LYS 91 lone 3 79 - 4 - HB2 LEU 12 - HA LYS 14 lone 3 92 - 3 - 4276/4.0=1 HB2 LEU 12 - HA LYS 91 lone 2 86 - 2 - HB3 LEU 85 - HA LYS 14 lone 1 99 - 1 - HB2 LEU 87 - HA LYS 14 lone 1 92 - 1 - HG LEU 85 - HA LYS 14 lone 1 81 - 1 - HB2 LEU 87 - HA LYS 91 lone 1 86 - 1 - HG LEU 87 - HA LYS 14 lone 1 68 - 1 - HB3 LEU 85 - HA LYS 91 lone 1 95 - 1 - HG LEU 23 - HA LYS 14 lone 1 65 - 1 - HG LEU 85 - HA LYS 91 lone 1 75 - 1 - HG LEU 87 - HA LYS 91 lone 0 63 - 1 - Peak 1220 from cnoeabs.peaks (1.58, 4.10, 57.39 ppm; 3.97 A): 2 out of 22 assignments used, quality = 0.96: * HD3 LYS 14 + HA LYS 14 OK 80 100 - 80 - 4.9=53, 1239/3.0=7...(23) HD2 LYS 14 + HA LYS 14 OK 80 100 - 80 - 4.9=53, 1229/3.0=7...(23) HD3 LYS 65 - HA LYS 14 OK 37 100 - 38 - 1260/4.0=4, 1274=4...(17) HD2 LYS 65 - HA LYS 14 OK 37 100 - 38 - 1260/4.0=4, 1274=4...(17) HD3 LYS 14 - HA LYS 91 OK 25 97 - 26 - 3.0/1218=5, 3.0/1217=3...(9) HD2 LYS 14 - HA LYS 91 OK 25 97 - 26 - 3.0/1218=5, 3.0/1217=3...(9) HB2 LYS 68 - HA LYS 14 lone 7 83 - 8 - HG LEU 23 - HA LYS 91 poor 7 57 - 11 - ~3857=3, ~3856=2...(4) HD3 LYS 65 - HA LYS 91 lone 5 97 - 5 - HD2 LYS 65 - HA LYS 91 lone 5 96 - 5 - HB2 LYS 68 - HA LYS 91 lone 4 77 - 5 - HB2 LEU 12 - HA LYS 14 lone 4 90 - 4 - 4276/4.0=2 HB2 LEU 12 - HA LYS 91 lone 2 85 - 3 - HB3 LEU 85 - HA LYS 14 lone 2 99 - 2 - HB2 LEU 87 - HA LYS 14 lone 2 90 - 2 - HG LEU 85 - HA LYS 14 lone 1 78 - 2 - HB2 LEU 87 - HA LYS 91 lone 1 85 - 1 - HB3 LEU 85 - HA LYS 91 lone 1 94 - 1 - HG LEU 87 - HA LYS 14 lone 1 65 - 2 - HG LEU 23 - HA LYS 14 lone 1 63 - 1 - HG LEU 85 - HA LYS 91 lone 1 72 - 1 - HG LEU 87 - HA LYS 91 lone 1 60 - 1 - Peak 1223 from cnoeabs.peaks (8.88, 1.65, 31.92 ppm; 4.60 A): 2 out of 4 assignments used, quality = 1.00: H LYS 14 + HB3 LYS 14 OK 100 100 - 100 - 4.0=100 * H LYS 14 + HB2 LYS 14 OK 100 100 - 100 - 4.0=100 H SER 62 - HB3 LYS 14 OK 19 96 - 19 - 793/3.0=6, 5388/3.0=5...(5) H SER 62 - HB2 LYS 14 OK 19 96 - 19 - 793/3.0=6, 5388/3.0=5...(5) Peak 1224 from cnoeabs.peaks (4.10, 1.65, 31.92 ppm; 3.14 A): 2 out of 12 assignments used, quality = 1.00: HA LYS 14 + HB3 LYS 14 OK 100 100 - 100 - 3.0=100 * HA LYS 14 + HB2 LYS 14 OK 100 100 - 100 - 3.0=100 HA LYS 91 - HB3 LYS 14 OK 33 100 - 33 - 1215=4, 1218/3.0=3...(18) HA LYS 91 - HB2 LYS 14 OK 33 100 - 33 - 1215=4, 1218/3.0=3...(18) HA LYS 26 - HB2 LYS 14 OK 19 100 - 19 - 1673/3.0=3, 1254/3.0=3...(7) HA LYS 26 - HB3 LYS 14 OK 19 100 - 19 - 1673/3.0=3, 1254/3.0=3...(7) HB2 SER 62 - HB3 LYS 14 OK 11 87 - 13 - 2791/4.0=3, ~5389=2...(6) HB2 SER 62 - HB2 LYS 14 OK 11 87 - 13 - 2791/4.0=3, ~5389=2...(6) HA3 GLY 61 - HB3 LYS 14 lone 7 71 - 9 - 4015/4.0=2, 5379/3.0=2, ~5378=2 HA3 GLY 61 - HB2 LYS 14 lone 7 71 - 9 - 4015/4.0=2, 5379/3.0=2, ~5378=2 HB THR 83 - HB2 LYS 14 lone 4 73 - 6 - HB THR 83 - HB3 LYS 14 lone 4 73 - 6 - Peak 1225 from cnoeabs.peaks (1.65, 1.65, 31.92 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 14 + HB3 LYS 14 OK 100 100 - 100 * HB2 LYS 14 + HB2 LYS 14 OK 100 100 - 100 Peak 1226 from cnoeabs.peaks (1.65, 1.65, 31.92 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 14 + HB3 LYS 14 OK 100 100 - 100 HB2 LYS 14 + HB2 LYS 14 OK 100 100 - 100 Reference assignment not found: HB3 LYS 14 - HB2 LYS 14 Peak 1227 from cnoeabs.peaks (1.20, 1.65, 31.92 ppm; 3.25 A): 2 out of 18 assignments used, quality = 1.00: HG2 LYS 14 + HB3 LYS 14 OK 100 100 - 100 - 3.0=100 * HG2 LYS 14 + HB2 LYS 14 OK 100 100 - 100 - 3.0=100 HG3 LYS 26 - HB3 LYS 14 OK 34 100 - 35 - 1257/3.0=5, 1246=4...(13) HG3 LYS 26 - HB2 LYS 14 OK 34 100 - 35 - 1257/3.0=5, 1246=4...(13) HG3 LYS 44 - HB2 LYS 14 lone 7 73 - 10 - 1257/3.0=1 HG3 LYS 44 - HB3 LYS 14 lone 7 73 - 10 - 1257/3.0=1 HD2 LYS 68 - HB3 LYS 14 lone 7 73 - 9 - 1257/3.0=1 HD2 LYS 68 - HB2 LYS 14 lone 7 73 - 9 - 1257/3.0=1 HD3 LYS 68 - HB3 LYS 14 lone 6 71 - 9 - 1257/3.0=1 HD3 LYS 68 - HB2 LYS 14 lone 6 71 - 9 - 1257/3.0=1 QG2 THR 83 - HB2 LYS 14 lone 6 97 - 6 - QG2 THR 83 - HB3 LYS 14 lone 6 97 - 6 - QD1 LEU 34 - HB3 LYS 14 lone 3 92 - 3 - QD1 LEU 34 - HB2 LYS 14 lone 3 92 - 3 - HG13 ILE 35 - HB2 LYS 14 lone 1 63 - 1 - HG13 ILE 35 - HB3 LYS 14 lone 1 63 - 1 - HG2 ARG 45 - HB2 LYS 14 lone 1 60 - 1 - HG2 ARG 45 - HB3 LYS 14 lone 1 60 - 1 - Peak 1228 from cnoeabs.peaks (1.10, 1.65, 31.92 ppm; 3.31 A): 2 out of 8 assignments used, quality = 1.00: * HG3 LYS 14 + HB2 LYS 14 OK 100 100 - 100 - 3.0=100 HG3 LYS 14 + HB3 LYS 14 OK 100 100 - 100 - 3.0=100 QG1 VAL 66 - HB3 LYS 14 OK 14 87 - 16 - 1218/3.0=3, ~5462=2...(6) QG1 VAL 66 - HB2 LYS 14 OK 14 87 - 16 - 1218/3.0=3, ~5462=2...(6) QG2 THR 13 - HB3 LYS 14 OK 11 100 - 11 - 3.2/4284=3, ~4284=2...(4) QG2 THR 13 - HB2 LYS 14 OK 11 100 - 11 - 3.2/4284=3, ~4284=2...(4) QG2 THR 38 - HB2 LYS 14 lone 2 85 - 3 - QG2 THR 38 - HB3 LYS 14 lone 2 85 - 3 - Peak 1229 from cnoeabs.peaks (1.58, 1.65, 31.92 ppm; 2.40 A): 4 out of 22 assignments used, quality = 0.94: * HD2 LYS 14 + HB2 LYS 14 OK 50 100 - 50 - 3.6=28, 1219/3.0=3...(20) HD2 LYS 14 + HB3 LYS 14 OK 50 100 - 50 - 3.6=28, 1219/3.0=3...(20) HD3 LYS 14 + HB2 LYS 14 OK 50 100 - 50 - 3.6=28, 1219/3.0=3...(20) HD3 LYS 14 + HB3 LYS 14 OK 50 100 - 50 - 3.6=28, 1219/3.0=3...(20) HD3 LYS 65 - HB2 LYS 14 OK 21 100 - 21 - 1259/3.0=2, 1219/3.0=1...(6) HD3 LYS 65 - HB3 LYS 14 OK 21 100 - 21 - 1259/3.0=2, 1219/3.0=1...(6) HD2 LYS 65 - HB2 LYS 14 OK 21 99 - 21 - 1259/3.0=2, 1219/3.0=1...(6) HD2 LYS 65 - HB3 LYS 14 OK 21 99 - 21 - 1259/3.0=2, 1219/3.0=1...(6) HB2 LYS 68 - HB3 LYS 14 lone 2 85 - 3 - HB2 LYS 68 - HB2 LYS 14 lone 2 85 - 3 - HB2 LEU 12 - HB2 LYS 14 lone 2 92 - 2 - HB2 LEU 12 - HB3 LYS 14 lone 2 92 - 2 - HB3 LEU 85 - HB2 LYS 14 lone 1 99 - 1 - HB3 LEU 85 - HB3 LYS 14 lone 1 99 - 1 - HG LEU 85 - HB2 LYS 14 lone 1 81 - 1 - HG LEU 85 - HB3 LYS 14 lone 1 81 - 1 - HB2 LEU 87 - HB2 LYS 14 lone 0 92 - 1 - HB2 LEU 87 - HB3 LYS 14 lone 0 92 - 1 - HG LEU 87 - HB2 LYS 14 lone 0 68 - 1 - HG LEU 87 - HB3 LYS 14 lone 0 68 - 1 - HG LEU 23 - HB2 LYS 14 lone 0 65 - 0 - HG LEU 23 - HB3 LYS 14 lone 0 65 - 0 - Peak 1230 from cnoeabs.peaks (1.58, 1.65, 31.92 ppm; 2.96 A): 4 out of 22 assignments used, quality = 1.00: * HD3 LYS 14 + HB2 LYS 14 OK 75 100 - 75 - 3.6=53, 1219/3.0=5...(30) HD3 LYS 14 + HB3 LYS 14 OK 75 100 - 75 - 3.6=53, 1219/3.0=5...(30) HD2 LYS 14 + HB3 LYS 14 OK 75 100 - 75 - 3.6=53, 1219/3.0=5...(30) HD2 LYS 14 + HB2 LYS 14 OK 75 100 - 75 - 3.6=53, 1219/3.0=5...(30) HD3 LYS 65 - HB3 LYS 14 OK 37 100 - 38 - 1259/3.0=3, 1219/3.0=2...(19) HD3 LYS 65 - HB2 LYS 14 OK 37 100 - 38 - 1259/3.0=3, 1219/3.0=2...(19) HD2 LYS 65 - HB2 LYS 14 OK 37 100 - 38 - 1259/3.0=3, 1219/3.0=2...(19) HD2 LYS 65 - HB3 LYS 14 OK 37 100 - 38 - 1259/3.0=3, 1219/3.0=2...(19) HB2 LYS 68 - HB3 LYS 14 lone 5 83 - 5 - HB2 LYS 68 - HB2 LYS 14 lone 5 83 - 5 - HB2 LEU 12 - HB2 LYS 14 lone 3 90 - 3 - HB2 LEU 12 - HB3 LYS 14 lone 3 90 - 3 - HB3 LEU 85 - HB2 LYS 14 lone 1 99 - 1 - HB3 LEU 85 - HB3 LYS 14 lone 1 99 - 1 - HB2 LEU 87 - HB2 LYS 14 lone 1 90 - 1 - HB2 LEU 87 - HB3 LYS 14 lone 1 90 - 1 - HG LEU 85 - HB3 LYS 14 lone 1 78 - 1 - HG LEU 85 - HB2 LYS 14 lone 1 78 - 1 - HG LEU 87 - HB2 LYS 14 lone 1 65 - 1 - HG LEU 87 - HB3 LYS 14 lone 1 65 - 1 - HG LEU 23 - HB3 LYS 14 lone 0 63 - 1 - HG LEU 23 - HB2 LYS 14 lone 0 63 - 1 - Peak 1231 from cnoeabs.peaks (2.91, 1.65, 31.92 ppm; 4.35 A): 4 out of 14 assignments used, quality = 1.00: HE2 LYS 14 + HB3 LYS 14 OK 95 100 - 95 - 4.9=70, 1288/3.0=13...(30) * HE2 LYS 14 + HB2 LYS 14 OK 95 100 - 95 - 4.9=70, 1288/3.0=13...(30) HE3 LYS 14 + HB3 LYS 14 OK 95 100 - 95 - 4.9=70, 1288/3.0=13...(30) HE3 LYS 14 + HB2 LYS 14 OK 95 100 - 95 - 4.9=70, 1288/3.0=13...(30) HE3 LYS 65 - HB2 LYS 14 OK 35 63 - 56 - 1261/3.0=4, 3.0/1230=3...(35) HE3 LYS 65 - HB3 LYS 14 OK 35 63 - 56 - 1261/3.0=4, 3.0/1230=3...(35) HB2 ASN 24 - HB3 LYS 14 lone 3 98 - 3 - HB2 ASN 24 - HB2 LYS 14 lone 3 98 - 3 - HB2 ASN 63 - HB3 LYS 14 lone 3 100 - 3 - 1261/3.0=1 HB2 ASN 63 - HB2 LYS 14 lone 3 100 - 3 - 1261/3.0=1 HB3 PHE 80 - HB3 LYS 14 lone 2 100 - 2 - HB3 PHE 80 - HB2 LYS 14 lone 2 100 - 2 - HB2 ASP 53 - HB2 LYS 14 lone 1 90 - 2 - HB2 ASP 53 - HB3 LYS 14 lone 1 90 - 2 - Peak 1232 from cnoeabs.peaks (2.91, 1.65, 31.92 ppm; 4.35 A): 4 out of 16 assignments used, quality = 1.00: * HE3 LYS 14 + HB2 LYS 14 OK 95 100 - 95 - 4.9=70, 1288/3.0=13...(30) HE3 LYS 14 + HB3 LYS 14 OK 95 100 - 95 - 4.9=70, 1288/3.0=13...(30) HE2 LYS 14 + HB2 LYS 14 OK 95 100 - 95 - 4.9=70, 1288/3.0=13...(30) HE2 LYS 14 + HB3 LYS 14 OK 95 100 - 95 - 4.9=70, 1288/3.0=13...(30) HE3 LYS 65 - HB3 LYS 14 OK 39 71 - 56 - 1261/3.0=4, 3.0/1230=3...(35) HE3 LYS 65 - HB2 LYS 14 OK 39 71 - 56 - 1261/3.0=4, 3.0/1230=3...(35) HE2 LYS 65 - HB3 LYS 14 OK 37 60 - 62 - 1262/3.0=4, 3.0/1240=3...(42) HE2 LYS 65 - HB2 LYS 14 OK 37 60 - 62 - 1262/3.0=4, 3.0/1240=3...(42) HB2 ASN 24 - HB3 LYS 14 lone 3 96 - 3 - HB2 ASN 24 - HB2 LYS 14 lone 3 96 - 3 - HB2 ASN 63 - HB2 LYS 14 lone 3 100 - 3 - 1261/3.0=1 HB2 ASN 63 - HB3 LYS 14 lone 3 100 - 3 - 1261/3.0=1 HB3 PHE 80 - HB3 LYS 14 lone 2 100 - 2 - HB3 PHE 80 - HB2 LYS 14 lone 2 100 - 2 - HB2 ASP 53 - HB2 LYS 14 lone 1 95 - 2 - HB2 ASP 53 - HB3 LYS 14 lone 1 95 - 2 - Peak 1233 from cnoeabs.peaks (8.88, 1.65, 31.92 ppm; 4.60 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 14 + HB3 LYS 14 OK 100 100 - 100 - 4.0=100 H LYS 14 + HB2 LYS 14 OK 100 100 - 100 - 4.0=100 H SER 62 - HB3 LYS 14 OK 19 96 - 19 - 793/3.0=6, 5388/3.0=5...(5) H SER 62 - HB2 LYS 14 OK 19 96 - 19 - 793/3.0=6, 5388/3.0=5...(5) Peak 1234 from cnoeabs.peaks (4.10, 1.65, 31.92 ppm; 3.14 A): 2 out of 12 assignments used, quality = 1.00: * HA LYS 14 + HB3 LYS 14 OK 100 100 - 100 - 3.0=100 HA LYS 14 + HB2 LYS 14 OK 100 100 - 100 - 3.0=100 HA LYS 91 - HB3 LYS 14 OK 33 100 - 33 - 1215=4, 1218/3.0=3...(18) HA LYS 91 - HB2 LYS 14 OK 33 100 - 33 - 1215=4, 1218/3.0=3...(18) HA LYS 26 - HB2 LYS 14 OK 19 100 - 19 - 1673/3.0=3, 1254/3.0=3...(7) HA LYS 26 - HB3 LYS 14 OK 19 100 - 19 - 1673/3.0=3, 1254/3.0=3...(7) HB2 SER 62 - HB3 LYS 14 OK 11 87 - 13 - 2791/4.0=3, ~5389=2...(6) HB2 SER 62 - HB2 LYS 14 OK 11 87 - 13 - 2791/4.0=3, ~5389=2...(6) HA3 GLY 61 - HB3 LYS 14 lone 7 71 - 9 - 4015/4.0=2, 5379/3.0=2, ~5378=2 HA3 GLY 61 - HB2 LYS 14 lone 7 71 - 9 - 4015/4.0=2, 5379/3.0=2, ~5378=2 HB THR 83 - HB2 LYS 14 lone 4 73 - 6 - HB THR 83 - HB3 LYS 14 lone 4 73 - 6 - Peak 1235 from cnoeabs.peaks (1.65, 1.65, 31.92 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 14 + HB3 LYS 14 OK 100 100 - 100 HB2 LYS 14 + HB2 LYS 14 OK 100 100 - 100 Reference assignment not found: HB2 LYS 14 - HB3 LYS 14 Peak 1236 from cnoeabs.peaks (1.65, 1.65, 31.92 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 14 + HB3 LYS 14 OK 100 100 - 100 HB2 LYS 14 + HB2 LYS 14 OK 100 100 - 100 Peak 1237 from cnoeabs.peaks (1.20, 1.65, 31.92 ppm; 3.25 A): 2 out of 18 assignments used, quality = 1.00: * HG2 LYS 14 + HB3 LYS 14 OK 100 100 - 100 - 3.0=100 HG2 LYS 14 + HB2 LYS 14 OK 100 100 - 100 - 3.0=100 HG3 LYS 26 - HB3 LYS 14 OK 34 100 - 35 - 1257/3.0=5, 1246=4...(13) HG3 LYS 26 - HB2 LYS 14 OK 34 100 - 35 - 1257/3.0=5, 1246=4...(13) HG3 LYS 44 - HB2 LYS 14 lone 7 73 - 10 - 1257/3.0=1 HG3 LYS 44 - HB3 LYS 14 lone 7 73 - 10 - 1257/3.0=1 HD2 LYS 68 - HB3 LYS 14 lone 7 73 - 9 - 1257/3.0=1 HD2 LYS 68 - HB2 LYS 14 lone 7 73 - 9 - 1257/3.0=1 HD3 LYS 68 - HB3 LYS 14 lone 6 71 - 9 - 1257/3.0=1 HD3 LYS 68 - HB2 LYS 14 lone 6 71 - 9 - 1257/3.0=1 QG2 THR 83 - HB2 LYS 14 lone 6 97 - 6 - QG2 THR 83 - HB3 LYS 14 lone 6 97 - 6 - QD1 LEU 34 - HB3 LYS 14 lone 3 92 - 3 - QD1 LEU 34 - HB2 LYS 14 lone 3 92 - 3 - HG13 ILE 35 - HB2 LYS 14 lone 1 63 - 1 - HG13 ILE 35 - HB3 LYS 14 lone 1 63 - 1 - HG2 ARG 45 - HB2 LYS 14 lone 1 60 - 1 - HG2 ARG 45 - HB3 LYS 14 lone 1 60 - 1 - Peak 1238 from cnoeabs.peaks (1.10, 1.65, 31.92 ppm; 3.31 A): 2 out of 8 assignments used, quality = 1.00: HG3 LYS 14 + HB2 LYS 14 OK 100 100 - 100 - 3.0=100 * HG3 LYS 14 + HB3 LYS 14 OK 100 100 - 100 - 3.0=100 QG1 VAL 66 - HB3 LYS 14 OK 14 87 - 16 - 1218/3.0=3, ~5462=2...(6) QG1 VAL 66 - HB2 LYS 14 OK 14 87 - 16 - 1218/3.0=3, ~5462=2...(6) QG2 THR 13 - HB3 LYS 14 OK 11 100 - 11 - 3.2/4284=3, ~4284=2...(4) QG2 THR 13 - HB2 LYS 14 OK 11 100 - 11 - 3.2/4284=3, ~4284=2...(4) QG2 THR 38 - HB2 LYS 14 lone 2 85 - 3 - QG2 THR 38 - HB3 LYS 14 lone 2 85 - 3 - Peak 1239 from cnoeabs.peaks (1.58, 1.65, 31.92 ppm; 2.40 A): 4 out of 22 assignments used, quality = 0.94: HD2 LYS 14 + HB2 LYS 14 OK 50 100 - 50 - 3.6=28, 1219/3.0=3...(20) * HD2 LYS 14 + HB3 LYS 14 OK 50 100 - 50 - 3.6=28, 1219/3.0=3...(20) HD3 LYS 14 + HB2 LYS 14 OK 50 100 - 50 - 3.6=28, 1219/3.0=3...(20) HD3 LYS 14 + HB3 LYS 14 OK 50 100 - 50 - 3.6=28, 1219/3.0=3...(20) HD3 LYS 65 - HB2 LYS 14 OK 21 100 - 21 - 1259/3.0=2, 1219/3.0=1...(6) HD3 LYS 65 - HB3 LYS 14 OK 21 100 - 21 - 1259/3.0=2, 1219/3.0=1...(6) HD2 LYS 65 - HB2 LYS 14 OK 21 99 - 21 - 1259/3.0=2, 1219/3.0=1...(6) HD2 LYS 65 - HB3 LYS 14 OK 21 99 - 21 - 1259/3.0=2, 1219/3.0=1...(6) HB2 LYS 68 - HB3 LYS 14 lone 2 85 - 3 - HB2 LYS 68 - HB2 LYS 14 lone 2 85 - 3 - HB2 LEU 12 - HB2 LYS 14 lone 2 92 - 2 - HB2 LEU 12 - HB3 LYS 14 lone 2 92 - 2 - HB3 LEU 85 - HB2 LYS 14 lone 1 99 - 1 - HB3 LEU 85 - HB3 LYS 14 lone 1 99 - 1 - HG LEU 85 - HB2 LYS 14 lone 1 81 - 1 - HG LEU 85 - HB3 LYS 14 lone 1 81 - 1 - HB2 LEU 87 - HB2 LYS 14 lone 0 92 - 1 - HB2 LEU 87 - HB3 LYS 14 lone 0 92 - 1 - HG LEU 87 - HB2 LYS 14 lone 0 68 - 1 - HG LEU 87 - HB3 LYS 14 lone 0 68 - 1 - HG LEU 23 - HB2 LYS 14 lone 0 65 - 0 - HG LEU 23 - HB3 LYS 14 lone 0 65 - 0 - Peak 1240 from cnoeabs.peaks (1.58, 1.65, 31.92 ppm; 2.96 A): 4 out of 22 assignments used, quality = 1.00: HD3 LYS 14 + HB2 LYS 14 OK 75 100 - 75 - 3.6=53, 1219/3.0=5...(30) * HD3 LYS 14 + HB3 LYS 14 OK 75 100 - 75 - 3.6=53, 1219/3.0=5...(30) HD2 LYS 14 + HB3 LYS 14 OK 75 100 - 75 - 3.6=53, 1219/3.0=5...(30) HD2 LYS 14 + HB2 LYS 14 OK 75 100 - 75 - 3.6=53, 1219/3.0=5...(30) HD3 LYS 65 - HB3 LYS 14 OK 37 100 - 38 - 1259/3.0=3, 1219/3.0=2...(19) HD3 LYS 65 - HB2 LYS 14 OK 37 100 - 38 - 1259/3.0=3, 1219/3.0=2...(19) HD2 LYS 65 - HB2 LYS 14 OK 37 100 - 38 - 1259/3.0=3, 1219/3.0=2...(19) HD2 LYS 65 - HB3 LYS 14 OK 37 100 - 38 - 1259/3.0=3, 1219/3.0=2...(19) HB2 LYS 68 - HB3 LYS 14 lone 5 83 - 5 - HB2 LYS 68 - HB2 LYS 14 lone 5 83 - 5 - HB2 LEU 12 - HB2 LYS 14 lone 3 90 - 3 - HB2 LEU 12 - HB3 LYS 14 lone 3 90 - 3 - HB3 LEU 85 - HB2 LYS 14 lone 1 99 - 1 - HB3 LEU 85 - HB3 LYS 14 lone 1 99 - 1 - HB2 LEU 87 - HB2 LYS 14 lone 1 90 - 1 - HB2 LEU 87 - HB3 LYS 14 lone 1 90 - 1 - HG LEU 85 - HB3 LYS 14 lone 1 78 - 1 - HG LEU 85 - HB2 LYS 14 lone 1 78 - 1 - HG LEU 87 - HB2 LYS 14 lone 1 65 - 1 - HG LEU 87 - HB3 LYS 14 lone 1 65 - 1 - HG LEU 23 - HB3 LYS 14 lone 0 63 - 1 - HG LEU 23 - HB2 LYS 14 lone 0 63 - 1 - Peak 1241 from cnoeabs.peaks (2.91, 1.65, 31.92 ppm; 4.35 A): 4 out of 14 assignments used, quality = 1.00: * HE2 LYS 14 + HB3 LYS 14 OK 95 100 - 95 - 4.9=70, 1288/3.0=13...(30) HE2 LYS 14 + HB2 LYS 14 OK 95 100 - 95 - 4.9=70, 1288/3.0=13...(30) HE3 LYS 14 + HB3 LYS 14 OK 95 100 - 95 - 4.9=70, 1288/3.0=13...(30) HE3 LYS 14 + HB2 LYS 14 OK 95 100 - 95 - 4.9=70, 1288/3.0=13...(30) HE3 LYS 65 - HB2 LYS 14 OK 35 63 - 56 - 1261/3.0=4, 3.0/1230=3...(35) HE3 LYS 65 - HB3 LYS 14 OK 35 63 - 56 - 1261/3.0=4, 3.0/1230=3...(35) HB2 ASN 24 - HB3 LYS 14 lone 3 98 - 3 - HB2 ASN 24 - HB2 LYS 14 lone 3 98 - 3 - HB2 ASN 63 - HB3 LYS 14 lone 3 100 - 3 - 1261/3.0=1 HB2 ASN 63 - HB2 LYS 14 lone 3 100 - 3 - 1261/3.0=1 HB3 PHE 80 - HB3 LYS 14 lone 2 100 - 2 - HB3 PHE 80 - HB2 LYS 14 lone 2 100 - 2 - HB2 ASP 53 - HB2 LYS 14 lone 1 90 - 2 - HB2 ASP 53 - HB3 LYS 14 lone 1 90 - 2 - Peak 1242 from cnoeabs.peaks (2.91, 1.65, 31.92 ppm; 4.35 A): 4 out of 16 assignments used, quality = 1.00: HE3 LYS 14 + HB2 LYS 14 OK 95 100 - 95 - 4.9=70, 1288/3.0=13...(30) * HE3 LYS 14 + HB3 LYS 14 OK 95 100 - 95 - 4.9=70, 1288/3.0=13...(30) HE2 LYS 14 + HB2 LYS 14 OK 95 100 - 95 - 4.9=70, 1288/3.0=13...(30) HE2 LYS 14 + HB3 LYS 14 OK 95 100 - 95 - 4.9=70, 1288/3.0=13...(30) HE3 LYS 65 - HB3 LYS 14 OK 39 71 - 56 - 1261/3.0=4, 3.0/1230=3...(35) HE3 LYS 65 - HB2 LYS 14 OK 39 71 - 56 - 1261/3.0=4, 3.0/1230=3...(35) HE2 LYS 65 - HB3 LYS 14 OK 37 60 - 62 - 1262/3.0=4, 3.0/1240=3...(42) HE2 LYS 65 - HB2 LYS 14 OK 37 60 - 62 - 1262/3.0=4, 3.0/1240=3...(42) HB2 ASN 24 - HB3 LYS 14 lone 3 96 - 3 - HB2 ASN 24 - HB2 LYS 14 lone 3 96 - 3 - HB2 ASN 63 - HB2 LYS 14 lone 3 100 - 3 - 1261/3.0=1 HB2 ASN 63 - HB3 LYS 14 lone 3 100 - 3 - 1261/3.0=1 HB3 PHE 80 - HB3 LYS 14 lone 2 100 - 2 - HB3 PHE 80 - HB2 LYS 14 lone 2 100 - 2 - HB2 ASP 53 - HB2 LYS 14 lone 1 95 - 2 - HB2 ASP 53 - HB3 LYS 14 lone 1 95 - 2 - Peak 1243 from cnoeabs.peaks (8.88, 1.20, 23.95 ppm; 5.81 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 14 + HG2 LYS 14 OK 100 100 - 100 - 4.9=100 H LYS 14 + HG3 LYS 26 OK 58 100 - 58 - 536=12, 3.0/1217=9...(16) H SER 62 - HG2 LYS 14 OK 25 96 - 26 - 5388/1.8=8, 793/4.0=7...(6) H LYS 14 - HG3 LYS 44 OK 17 72 - 23 - 21/3.8=4, 536=4...(9) H SER 62 - HG3 LYS 26 lone 8 95 - 8 - 793/4.1=2, 3.9/1709=1 H SER 62 - HG3 LYS 44 lone 4 65 - 6 - ~6081=1 Peak 1244 from cnoeabs.peaks (4.10, 1.20, 23.95 ppm; 3.62 A): 2 out of 18 assignments used, quality = 0.99: HA LYS 26 + HG3 LYS 26 OK 93 100 - 93 - 4.1=71, 3.0/1708=17...(17) * HA LYS 14 + HG2 LYS 14 OK 84 100 - 84 - 4.0=77, 1219/3.0=8...(13) HA LYS 14 - HG3 LYS 26 OK 43 100 - 43 - 1217=6, 1699/1.8=6...(13) HA LYS 26 - HG2 LYS 14 OK 35 100 - 35 - 1673=6, 3.0/1708=6...(14) HA LYS 91 - HG2 LYS 14 OK 28 100 - 28 - 1218/1.8=5, 1217=4...(13) HB THR 83 - HG3 LYS 26 OK 23 72 - 31 - 3517=4, 1699/1.8=3...(14) HA LYS 26 - HG3 LYS 44 OK 22 72 - 31 - 1673=4, 1670/3.0=3...(15) HA LYS 91 - HG3 LYS 26 OK 18 100 - 18 - 1217=3, 1679/2.9=3...(7) HB2 SER 62 - HG2 LYS 14 OK 14 87 - 16 - ~5389=4, 2791/4.9=3...(6) HB2 SER 62 - HG3 LYS 26 OK 12 86 - 14 - 5390/2.9=3, 1699/1.8=2...(6) HA3 GLY 61 - HG2 LYS 14 poor 9 71 - 13 - ~5378=3, 5379/1.8=3...(4) HA LYS 91 - HG3 LYS 44 poor 8 72 - 11 - 1217=1 HA3 GLY 61 - HG3 LYS 26 poor 7 70 - 10 - ~5377=1, 1699/1.8=1 HB THR 83 - HG2 LYS 14 lone 7 73 - 9 - 3517=1 HA LYS 14 - HG3 LYS 44 lone 6 72 - 8 - 4.0/1257=1 HA3 GLY 61 - HG3 LYS 44 lone 2 44 - 4 - HB2 SER 62 - HG3 LYS 44 lone 2 56 - 3 - HB THR 83 - HG3 LYS 44 lone 1 46 - 2 - Peak 1245 from cnoeabs.peaks (1.65, 1.20, 23.95 ppm; 3.31 A): 2 out of 30 assignments used, quality = 1.00: HB3 LYS 14 + HG2 LYS 14 OK 100 100 - 100 - 3.0=100 * HB2 LYS 14 + HG2 LYS 14 OK 100 100 - 100 - 3.0=100 HB3 LYS 14 - HG3 LYS 26 OK 36 100 - 37 - 1237=5, 3.0/1257=5...(15) HB2 LYS 14 - HG3 LYS 26 OK 36 100 - 37 - 1237=5, 3.0/1257=5...(15) HB3 LEU 73 - HG3 LYS 26 OK 22 70 - 31 - 3.0/4523=3, ~4521=2...(12) HG LEU 73 - HG3 LYS 26 OK 15 62 - 24 - 2.1/1714=2, 3.7/4523=2...(10) HD2 LYS 31 - HG3 LYS 44 OK 11 44 - 24 - ~2282=2, ~2283=2...(15) HD2 LYS 91 - HG2 LYS 14 poor 10 98 - 10 - 1255/1.8=1, 5.2/1217=1 HD3 LYS 91 - HG2 LYS 14 poor 10 97 - 10 - 1255/1.8=1, 5.2/1217=1 HD3 LYS 31 - HG3 LYS 44 poor 10 40 - 24 - ~2282=2, ~2283=2...(15) HB3 LYS 14 - HG3 LYS 44 poor 8 72 - 11 - 3.0/1257=1, 1227=1 HB2 LYS 14 - HG3 LYS 44 poor 8 72 - 11 - 3.0/1257=1, 1227=1 HD2 LYS 31 - HG3 LYS 26 lone 5 70 - 7 - HD3 LYS 31 - HG3 LYS 26 lone 4 64 - 7 - HD2 LYS 91 - HG3 LYS 44 lone 4 68 - 6 - HD3 LYS 91 - HG3 LYS 44 lone 4 67 - 6 - HB3 LEU 73 - HG2 LYS 14 lone 4 71 - 5 - HG LEU 73 - HG2 LYS 14 lone 3 63 - 5 - HG2 ARG 28 - HG2 LYS 14 lone 3 93 - 3 - HG3 ARG 28 - HG2 LYS 14 lone 2 90 - 3 - HD2 LYS 91 - HG3 LYS 26 lone 2 97 - 2 - HD3 LYS 91 - HG3 LYS 26 lone 2 97 - 2 - HD2 LYS 31 - HG2 LYS 14 lone 1 71 - 2 - HD3 LYS 31 - HG2 LYS 14 lone 1 65 - 2 - HB3 LEU 73 - HG3 LYS 44 lone 1 44 - 2 - HG2 ARG 28 - HG3 LYS 26 lone 1 92 - 1 - HG3 ARG 28 - HG3 LYS 26 lone 1 89 - 1 - HG LEU 73 - HG3 LYS 44 lone 1 38 - 2 - HG2 ARG 28 - HG3 LYS 44 lone 1 63 - 1 - HG3 ARG 28 - HG3 LYS 44 lone 1 60 - 1 - Peak 1246 from cnoeabs.peaks (1.65, 1.20, 23.95 ppm; 3.31 A): 2 out of 30 assignments used, quality = 1.00: * HB3 LYS 14 + HG2 LYS 14 OK 100 100 - 100 - 3.0=100 HB2 LYS 14 + HG2 LYS 14 OK 100 100 - 100 - 3.0=100 HB3 LYS 14 - HG3 LYS 26 OK 36 100 - 37 - 1237=5, 3.0/1257=5...(15) HB2 LYS 14 - HG3 LYS 26 OK 36 100 - 37 - 1237=5, 3.0/1257=5...(15) HB3 LEU 73 - HG3 LYS 26 OK 22 70 - 31 - 3.0/4523=3, ~4521=2...(12) HG LEU 73 - HG3 LYS 26 OK 15 62 - 24 - 2.1/1714=2, 3.7/4523=2...(10) HD2 LYS 31 - HG3 LYS 44 OK 11 44 - 24 - ~2282=2, ~2283=2...(15) HD2 LYS 91 - HG2 LYS 14 poor 10 98 - 10 - 1255/1.8=1, 5.2/1217=1 HD3 LYS 91 - HG2 LYS 14 poor 10 97 - 10 - 1255/1.8=1, 5.2/1217=1 HD3 LYS 31 - HG3 LYS 44 poor 10 40 - 24 - ~2282=2, ~2283=2...(15) HB3 LYS 14 - HG3 LYS 44 poor 8 72 - 11 - 3.0/1257=1, 1227=1 HB2 LYS 14 - HG3 LYS 44 poor 8 72 - 11 - 3.0/1257=1, 1227=1 HD2 LYS 31 - HG3 LYS 26 lone 5 70 - 7 - HD3 LYS 31 - HG3 LYS 26 lone 4 64 - 7 - HD2 LYS 91 - HG3 LYS 44 lone 4 68 - 6 - HD3 LYS 91 - HG3 LYS 44 lone 4 67 - 6 - HB3 LEU 73 - HG2 LYS 14 lone 4 71 - 5 - HG LEU 73 - HG2 LYS 14 lone 3 63 - 5 - HG2 ARG 28 - HG2 LYS 14 lone 3 93 - 3 - HG3 ARG 28 - HG2 LYS 14 lone 2 90 - 3 - HD2 LYS 91 - HG3 LYS 26 lone 2 97 - 2 - HD3 LYS 91 - HG3 LYS 26 lone 2 97 - 2 - HD2 LYS 31 - HG2 LYS 14 lone 1 71 - 2 - HD3 LYS 31 - HG2 LYS 14 lone 1 65 - 2 - HB3 LEU 73 - HG3 LYS 44 lone 1 44 - 2 - HG2 ARG 28 - HG3 LYS 26 lone 1 92 - 1 - HG3 ARG 28 - HG3 LYS 26 lone 1 89 - 1 - HG LEU 73 - HG3 LYS 44 lone 1 38 - 2 - HG2 ARG 28 - HG3 LYS 44 lone 1 63 - 1 - HG3 ARG 28 - HG3 LYS 44 lone 1 60 - 1 - Peak 1247 from cnoeabs.peaks (1.20, 1.20, 23.95 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 14 + HG2 LYS 14 OK 100 100 - 100 HG3 LYS 26 + HG3 LYS 26 OK 99 99 - 100 HG3 LYS 44 + HG3 LYS 44 OK 46 46 - 100 Peak 1248 from cnoeabs.peaks (1.10, 1.20, 23.95 ppm; 2.47 A): 1 out of 12 assignments used, quality = 1.00: * HG3 LYS 14 + HG2 LYS 14 OK 100 100 - 100 - 1.8=100 HG3 LYS 14 - HG3 LYS 26 OK 22 100 - 22 - 1257=7, 3.0/1227=1...(7) QG1 VAL 66 - HG2 LYS 14 lone 7 87 - 8 - 1218/4.0=1 QG2 THR 13 - HG3 LYS 26 lone 6 99 - 6 - 4.1/1243=1, 6100/1.8=1 QG2 THR 13 - HG2 LYS 14 lone 5 100 - 5 - HG3 LYS 14 - HG3 LYS 44 lone 5 72 - 7 - 1257=2 QG2 THR 13 - HG3 LYS 44 lone 4 72 - 5 - QG1 VAL 66 - HG3 LYS 44 lone 3 56 - 5 - QG1 VAL 66 - HG3 LYS 26 lone 2 86 - 3 - QG2 THR 38 - HG2 LYS 14 lone 2 85 - 2 - QG2 THR 38 - HG3 LYS 26 lone 2 84 - 2 - QG2 THR 38 - HG3 LYS 44 lone 1 55 - 1 - Peak 1249 from cnoeabs.peaks (1.58, 1.20, 23.95 ppm; 3.22 A): 4 out of 33 assignments used, quality = 1.00: * HD2 LYS 14 + HG2 LYS 14 OK 100 100 - 100 - 3.0=100 HD3 LYS 14 + HG2 LYS 14 OK 100 100 - 100 - 3.0=100 HD3 LYS 65 + HG2 LYS 14 OK 51 100 - 52 - 1259/1.8=5, 1277=4...(22) HD2 LYS 65 + HG2 LYS 14 OK 51 99 - 52 - 1259/1.8=5, 1277=4...(22) HB2 LYS 68 - HG3 LYS 26 OK 34 84 - 40 - 5543/1.8=4, 3036/2.9=4...(19) HD2 LYS 14 - HG3 LYS 26 OK 25 100 - 25 - 3.0/1257=5, 1267=2...(11) HD3 LYS 14 - HG3 LYS 26 OK 25 100 - 25 - 3.0/1257=5, 1277=2...(11) HB3 LEU 85 - HG3 LYS 26 OK 24 98 - 24 - 3.1/1715=2, 3.1/1714=2...(7) HB2 LEU 87 - HG3 LYS 26 OK 24 91 - 26 - 3.1/1715=2, 3.1/1714=2...(7) HG LEU 85 - HG3 LYS 26 OK 20 80 - 25 - 2.1/1715=3, 2.1/1714=2...(10) HG LEU 87 - HG3 LYS 26 OK 18 67 - 27 - 2.1/1715=3, 2.1/1714=2...(10) HB2 LYS 68 - HG3 LYS 44 OK 11 55 - 20 - 3036/3.0=2, ~2283=2...(6) HD3 LYS 65 - HG3 LYS 44 OK 11 72 - 15 - HG LEU 23 - HG3 LYS 26 OK 11 64 - 16 - 4.3/4523=3, 2.1/1715=2...(5) HD2 LYS 65 - HG3 LYS 44 OK 10 71 - 15 - HB2 LEU 12 - HG3 LYS 26 lone 9 91 - 9 - 1171/1.8=2, ~1178=1 HB2 LYS 68 - HG2 LYS 14 lone 8 85 - 9 - 1259/1.8=1 HD2 LYS 14 - HG3 LYS 44 lone 7 72 - 10 - 3.0/1257=1 HD3 LYS 14 - HG3 LYS 44 lone 7 72 - 10 - 3.0/1257=1 HB2 LEU 12 - HG2 LYS 14 lone 6 92 - 7 - ~4275=1, 4276/1.8=1 HB2 LEU 12 - HG3 LYS 44 lone 5 61 - 9 - 1169/1.8=2, 4259/3.8=1 HD3 LYS 65 - HG3 LYS 26 lone 3 100 - 3 - HD2 LYS 65 - HG3 LYS 26 lone 3 99 - 3 - HB3 LEU 85 - HG2 LYS 14 lone 2 99 - 2 - HB2 LEU 87 - HG2 LYS 14 lone 2 92 - 2 - HG LEU 85 - HG2 LYS 14 lone 2 81 - 2 - HB2 LEU 87 - HG3 LYS 44 lone 1 61 - 2 - HG LEU 23 - HG2 LYS 14 lone 1 65 - 2 - HG LEU 87 - HG2 LYS 14 lone 1 68 - 2 - HB3 LEU 85 - HG3 LYS 44 lone 1 70 - 1 - HG LEU 87 - HG3 LYS 44 lone 1 42 - 2 - HG LEU 85 - HG3 LYS 44 lone 1 51 - 1 - HG LEU 23 - HG3 LYS 44 lone 1 40 - 1 - Peak 1250 from cnoeabs.peaks (1.58, 1.20, 23.95 ppm; 3.15 A): 4 out of 33 assignments used, quality = 1.00: * HD3 LYS 14 + HG2 LYS 14 OK 100 100 - 100 - 3.0=100 HD2 LYS 14 + HG2 LYS 14 OK 100 100 - 100 - 3.0=100 HD3 LYS 65 + HG2 LYS 14 OK 50 100 - 50 - 1259/1.8=5, 1277=4...(21) HD2 LYS 65 + HG2 LYS 14 OK 49 100 - 50 - 1259/1.8=5, 1277=4...(21) HB2 LYS 68 - HG3 LYS 26 OK 31 82 - 38 - 5543/1.8=3, 3036/2.9=3...(19) HD3 LYS 14 - HG3 LYS 26 OK 24 100 - 24 - 3.0/1257=5, 1277=2...(11) HD2 LYS 14 - HG3 LYS 26 OK 24 100 - 24 - 3.0/1257=5, 1267=2...(11) HB3 LEU 85 - HG3 LYS 26 OK 23 98 - 23 - 3.1/1715=2, 3.1/1714=2...(5) HB2 LEU 87 - HG3 LYS 26 OK 22 89 - 25 - 3.1/1715=2, 3.1/1714=2...(7) HG LEU 85 - HG3 LYS 26 OK 19 77 - 24 - 2.1/1715=2, 2.1/1714=2...(7) HG LEU 87 - HG3 LYS 26 OK 16 64 - 26 - 2.1/1715=3, 2.1/1714=2...(10) HB2 LYS 68 - HG3 LYS 44 OK 10 53 - 19 - 3036/3.0=2, ~2283=2...(4) HD3 LYS 65 - HG3 LYS 44 OK 10 72 - 14 - HD2 LYS 65 - HG3 LYS 44 OK 10 71 - 14 - HG LEU 23 - HG3 LYS 26 poor 10 62 - 16 - 4.3/4523=3, 2.1/1715=2...(5) HB2 LEU 12 - HG3 LYS 26 lone 8 89 - 9 - 1171/1.8=2, ~1178=1 HB2 LYS 68 - HG2 LYS 14 lone 7 83 - 9 - 1259/1.8=1 HD3 LYS 14 - HG3 LYS 44 lone 7 72 - 9 - 3.0/1257=1 HD2 LYS 14 - HG3 LYS 44 lone 7 72 - 9 - 3.0/1257=1 HB2 LEU 12 - HG2 LYS 14 lone 6 90 - 7 - ~4275=1, 4276/1.8=1 HB2 LEU 12 - HG3 LYS 44 lone 5 60 - 8 - 1169/1.8=2, 4259/3.8=1 HD3 LYS 65 - HG3 LYS 26 lone 3 100 - 3 - HD2 LYS 65 - HG3 LYS 26 lone 3 99 - 3 - HB3 LEU 85 - HG2 LYS 14 lone 2 99 - 2 - HB2 LEU 87 - HG2 LYS 14 lone 2 90 - 2 - HG LEU 85 - HG2 LYS 14 lone 1 78 - 2 - HB2 LEU 87 - HG3 LYS 44 lone 1 60 - 2 - HG LEU 23 - HG2 LYS 14 lone 1 63 - 2 - HG LEU 87 - HG2 LYS 14 lone 1 65 - 2 - HB3 LEU 85 - HG3 LYS 44 lone 1 69 - 1 - HG LEU 87 - HG3 LYS 44 lone 1 40 - 2 - HG LEU 85 - HG3 LYS 44 lone 1 49 - 1 - HG LEU 23 - HG3 LYS 44 lone 0 38 - 1 - Peak 1251 from cnoeabs.peaks (2.91, 1.20, 23.95 ppm; 4.00 A): 2 out of 21 assignments used, quality = 1.00: * HE2 LYS 14 + HG2 LYS 14 OK 100 100 - 100 - 3.9=100 HE3 LYS 14 + HG2 LYS 14 OK 100 100 - 100 - 3.9=100 HB3 PHE 80 - HG3 LYS 26 OK 34 100 - 34 - 5889/3.9=8, 5889/3.9=8...(10) HE3 LYS 65 - HG2 LYS 14 OK 31 63 - 50 - 1261/1.8=5, 1287=4...(26) HE2 LYS 14 - HG3 LYS 26 OK 21 100 - 22 - 3.9/1257=5, 1287=3...(10) HE3 LYS 14 - HG3 LYS 26 OK 21 100 - 22 - 3.9/1257=5, 1287=3...(10) HB2 ASN 24 - HG3 LYS 26 lone 9 97 - 9 - 4.6/4502=3, 5140/1.8=1 HB2 ASP 53 - HG3 LYS 26 lone 6 89 - 6 - ~5142=2, 5140/1.8=1 HE2 LYS 14 - HG3 LYS 44 lone 6 72 - 8 - 3.9/1257=1 HE3 LYS 14 - HG3 LYS 44 lone 6 72 - 7 - 3.9/1257=1 HB3 PHE 80 - HG2 LYS 14 lone 4 100 - 4 - HB2 ASN 63 - HG3 LYS 44 lone 4 72 - 6 - 3.5/2286=1, 2809/4.7=1 HB2 ASN 24 - HG2 LYS 14 lone 4 98 - 4 - HB2 ASN 63 - HG2 LYS 14 lone 4 100 - 4 - 1261/1.8=1 HE3 LYS 65 - HG3 LYS 44 lone 3 38 - 8 - HB2 ASN 63 - HG3 LYS 26 lone 3 100 - 3 - HE3 LYS 65 - HG3 LYS 26 lone 2 62 - 3 - HB2 ASP 53 - HG2 LYS 14 lone 1 90 - 2 - HB3 PHE 80 - HG3 LYS 44 lone 1 72 - 2 - HB2 ASN 24 - HG3 LYS 44 lone 1 68 - 2 - HB2 ASP 53 - HG3 LYS 44 lone 1 60 - 1 - Peak 1252 from cnoeabs.peaks (2.91, 1.20, 23.95 ppm; 4.00 A): 2 out of 24 assignments used, quality = 1.00: * HE3 LYS 14 + HG2 LYS 14 OK 100 100 - 100 - 3.9=100 HE2 LYS 14 + HG2 LYS 14 OK 100 100 - 100 - 3.9=100 HE3 LYS 65 - HG2 LYS 14 OK 35 71 - 50 - 1261/1.8=5, 1287=4...(26) HB3 PHE 80 - HG3 LYS 26 OK 34 100 - 34 - 5889/3.9=8, 5889/3.9=8...(10) HE2 LYS 65 - HG2 LYS 14 OK 33 60 - 56 - 1262/1.8=4, 1297=4...(32) HE3 LYS 14 - HG3 LYS 26 OK 21 100 - 22 - 3.9/1257=5, 1287=3...(10) HE2 LYS 14 - HG3 LYS 26 OK 21 100 - 22 - 3.9/1257=5, 1287=3...(10) HB2 ASN 24 - HG3 LYS 26 lone 9 95 - 9 - 4.6/4502=3, 5140/1.8=1 HB2 ASP 53 - HG3 LYS 26 lone 6 94 - 7 - ~5142=2, 5140/1.8=1 HE2 LYS 14 - HG3 LYS 44 lone 6 72 - 8 - 3.9/1257=1 HE3 LYS 14 - HG3 LYS 44 lone 6 72 - 7 - 3.9/1257=1 HB3 PHE 80 - HG2 LYS 14 lone 4 100 - 4 - HB2 ASN 63 - HG3 LYS 44 lone 4 72 - 6 - 3.5/2286=1, 2809/4.7=1 HB2 ASN 24 - HG2 LYS 14 lone 4 96 - 4 - HB2 ASN 63 - HG2 LYS 14 lone 4 100 - 4 - 1261/1.8=1 HE3 LYS 65 - HG3 LYS 44 lone 3 44 - 8 - HB2 ASN 63 - HG3 LYS 26 lone 3 99 - 3 - HE2 LYS 65 - HG3 LYS 44 lone 3 36 - 8 - HE3 LYS 65 - HG3 LYS 26 lone 2 70 - 3 - HE2 LYS 65 - HG3 LYS 26 lone 2 59 - 3 - HB2 ASP 53 - HG2 LYS 14 lone 2 95 - 2 - HB3 PHE 80 - HG3 LYS 44 lone 1 72 - 2 - HB2 ASN 24 - HG3 LYS 44 lone 1 65 - 2 - HB2 ASP 53 - HG3 LYS 44 lone 1 64 - 1 - Peak 1254 from cnoeabs.peaks (4.10, 1.10, 23.95 ppm; 4.49 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 14 + HG3 LYS 14 OK 100 100 - 100 - 4.0=100 HA LYS 91 - HG3 LYS 14 OK 40 100 - 40 - 1218=9, 1217/1.8=5...(13) HA LYS 26 - HG3 LYS 14 OK 39 100 - 39 - 1673/1.8=6, 4.1/1257=6...(15) HB2 SER 62 - HG3 LYS 14 OK 22 87 - 26 - 1.8/5389=8, 2791/4.9=5...(9) HA3 GLY 61 - HG3 LYS 14 OK 16 71 - 22 - 1.8/5378=6, 5379=4...(5) HB THR 83 - HG3 LYS 14 poor 8 73 - 11 - 2.1/1257=1, 3517/1.8=1 Peak 1255 from cnoeabs.peaks (1.65, 1.10, 23.95 ppm; 3.44 A): 2 out of 10 assignments used, quality = 1.00: HB3 LYS 14 + HG3 LYS 14 OK 100 100 - 100 - 3.0=100 * HB2 LYS 14 + HG3 LYS 14 OK 100 100 - 100 - 3.0=100 HD2 LYS 91 - HG3 LYS 14 poor 10 98 - 10 - 5.2/1218=2 HD3 LYS 91 - HG3 LYS 14 poor 10 97 - 10 - 5.2/1218=2 HB3 LEU 73 - HG3 LYS 14 lone 4 71 - 5 - HG LEU 73 - HG3 LYS 14 lone 3 63 - 5 - HG2 ARG 28 - HG3 LYS 14 lone 3 93 - 3 - HG3 ARG 28 - HG3 LYS 14 lone 2 90 - 3 - HD2 LYS 31 - HG3 LYS 14 lone 1 71 - 2 - HD3 LYS 31 - HG3 LYS 14 lone 1 65 - 2 - Peak 1256 from cnoeabs.peaks (1.65, 1.10, 23.95 ppm; 3.44 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 14 + HG3 LYS 14 OK 100 100 - 100 - 3.0=100 HB2 LYS 14 + HG3 LYS 14 OK 100 100 - 100 - 3.0=100 HD2 LYS 91 - HG3 LYS 14 poor 10 98 - 10 - 5.2/1218=2 HD3 LYS 91 - HG3 LYS 14 poor 10 97 - 10 - 5.2/1218=2 HB3 LEU 73 - HG3 LYS 14 lone 4 71 - 5 - HG LEU 73 - HG3 LYS 14 lone 3 63 - 5 - HG2 ARG 28 - HG3 LYS 14 lone 3 93 - 3 - HG3 ARG 28 - HG3 LYS 14 lone 2 90 - 3 - HD2 LYS 31 - HG3 LYS 14 lone 1 71 - 2 - HD3 LYS 31 - HG3 LYS 14 lone 1 65 - 2 - Peak 1257 from cnoeabs.peaks (1.20, 1.10, 23.95 ppm; 2.53 A): 1 out of 9 assignments used, quality = 1.00: * HG2 LYS 14 + HG3 LYS 14 OK 100 100 - 100 - 1.8=100 HG3 LYS 26 - HG3 LYS 14 OK 22 100 - 23 - 1248=7, 1227/3.0=2...(8) HG3 LYS 44 - HG3 LYS 14 lone 6 73 - 8 - 1248=2 HD2 LYS 68 - HG3 LYS 14 lone 5 73 - 7 - HD3 LYS 68 - HG3 LYS 14 lone 5 71 - 7 - QG2 THR 83 - HG3 LYS 14 lone 4 97 - 4 - QD1 LEU 34 - HG3 LYS 14 lone 3 92 - 3 - HG13 ILE 35 - HG3 LYS 14 lone 1 63 - 1 - HG2 ARG 45 - HG3 LYS 14 lone 0 60 - 1 - Peak 1258 from cnoeabs.peaks (1.10, 1.10, 23.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 14 + HG3 LYS 14 OK 100 100 - 100 Peak 1259 from cnoeabs.peaks (1.58, 1.10, 23.95 ppm; 3.37 A): 4 out of 11 assignments used, quality = 1.00: * HD2 LYS 14 + HG3 LYS 14 OK 100 100 - 100 - 3.0=100 HD3 LYS 14 + HG3 LYS 14 OK 100 100 - 100 - 3.0=100 HD3 LYS 65 + HG3 LYS 14 OK 53 100 - 54 - 1268=6, 1.8/1278=5...(30) HD2 LYS 65 + HG3 LYS 14 OK 53 99 - 54 - 1278=6, 1.8/1268=5...(30) HB2 LYS 68 - HG3 LYS 14 OK 11 85 - 12 - HB2 LEU 12 - HG3 LYS 14 lone 9 92 - 9 - 1.8/4275=2, 4.6/531=1, 4276=1 HB3 LEU 85 - HG3 LYS 14 lone 2 99 - 2 - HB2 LEU 87 - HG3 LYS 14 lone 2 92 - 2 - HG LEU 85 - HG3 LYS 14 lone 2 81 - 2 - HG LEU 87 - HG3 LYS 14 lone 1 68 - 2 - HG LEU 23 - HG3 LYS 14 lone 1 65 - 1 - Peak 1260 from cnoeabs.peaks (1.58, 1.10, 23.95 ppm; 3.43 A): 4 out of 11 assignments used, quality = 1.00: * HD3 LYS 14 + HG3 LYS 14 OK 100 100 - 100 - 3.0=100 HD2 LYS 14 + HG3 LYS 14 OK 100 100 - 100 - 3.0=100 HD3 LYS 65 + HG3 LYS 14 OK 55 100 - 55 - 1268=6, 1.8/1278=5...(31) HD2 LYS 65 + HG3 LYS 14 OK 54 100 - 55 - 1278=6, 1.8/1268=5...(31) HB2 LYS 68 - HG3 LYS 14 OK 11 83 - 13 - 3.5/1257=1 HB2 LEU 12 - HG3 LYS 14 lone 9 90 - 10 - 1.8/4275=2, 4.6/531=2, 4276=1 HB3 LEU 85 - HG3 LYS 14 lone 2 99 - 2 - HB2 LEU 87 - HG3 LYS 14 lone 2 90 - 2 - HG LEU 85 - HG3 LYS 14 lone 2 78 - 2 - HG LEU 87 - HG3 LYS 14 lone 1 65 - 2 - HG LEU 23 - HG3 LYS 14 lone 1 63 - 2 - Peak 1261 from cnoeabs.peaks (2.91, 1.10, 23.95 ppm; 4.17 A): 2 out of 7 assignments used, quality = 1.00: * HE2 LYS 14 + HG3 LYS 14 OK 100 100 - 100 - 3.9=100 HE3 LYS 14 + HG3 LYS 14 OK 100 100 - 100 - 3.9=100 HE3 LYS 65 - HG3 LYS 14 OK 32 63 - 52 - 3.0/1260=6, 3.0/1260=6...(26) HB2 ASN 63 - HG3 LYS 14 lone 8 100 - 8 - 4.0/5394=3, 3.5/5402=2 HB3 PHE 80 - HG3 LYS 14 lone 4 100 - 4 - 5770/6207=1 HB2 ASN 24 - HG3 LYS 14 lone 4 98 - 4 - HB2 ASP 53 - HG3 LYS 14 lone 2 90 - 2 - Peak 1262 from cnoeabs.peaks (2.91, 1.10, 23.95 ppm; 4.17 A): 2 out of 8 assignments used, quality = 1.00: * HE3 LYS 14 + HG3 LYS 14 OK 100 100 - 100 - 3.9=100 HE2 LYS 14 + HG3 LYS 14 OK 100 100 - 100 - 3.9=100 HE3 LYS 65 - HG3 LYS 14 OK 36 71 - 52 - 3.0/1260=6, 3.0/1260=6...(26) HE2 LYS 65 - HG3 LYS 14 OK 34 60 - 57 - 3.0/1260=6, 3.0/1260=6...(32) HB2 ASN 63 - HG3 LYS 14 lone 8 100 - 8 - 4.0/5394=3, 3.5/5402=2 HB3 PHE 80 - HG3 LYS 14 lone 4 100 - 4 - 5770/6207=1 HB2 ASN 24 - HG3 LYS 14 lone 4 96 - 4 - HB2 ASP 53 - HG3 LYS 14 lone 2 95 - 2 - Peak 1264 from cnoeabs.peaks (4.10, 1.58, 28.78 ppm; 4.14 A): 2 out of 24 assignments used, quality = 0.98: * HA LYS 14 + HD2 LYS 14 OK 85 100 - 85 - 4.9=60, 1219/1.8=12...(23) HA LYS 14 + HD3 LYS 14 OK 85 100 - 85 - 4.9=60, 1219/1.8=12...(23) HA LYS 14 - HD3 LYS 65 OK 42 100 - 42 - 1220=6, 1219/1.8=5...(19) HA LYS 14 - HD2 LYS 65 OK 41 99 - 42 - 1220=6, 1219/1.8=5...(19) HA LYS 91 - HD2 LYS 14 OK 29 100 - 29 - 1218/3.0=5, 1220=4...(9) HA LYS 91 - HD3 LYS 14 OK 29 100 - 29 - 1218/3.0=5, 1220=4...(9) HA LYS 26 - HD2 LYS 14 OK 27 100 - 27 - 1254/3.0=5, 1673/3.0=4...(13) HA LYS 26 - HD3 LYS 14 OK 27 100 - 27 - 1254/3.0=5, 1673/3.0=4...(13) HB2 SER 62 - HD2 LYS 14 OK 14 87 - 15 - ~5389=5, 2791/5.9=3...(6) HB2 SER 62 - HD3 LYS 14 OK 13 87 - 15 - ~5389=5, 2791/5.9=3...(6) HA3 GLY 61 - HD2 LYS 14 poor 8 71 - 12 - ~5378=3, 5379/3.0=3, 4015/5.9=2 HA3 GLY 61 - HD3 LYS 14 poor 8 71 - 12 - ~5378=3, 5379/3.0=3, 4015/5.9=2 HB THR 83 - HD2 LYS 14 lone 6 73 - 8 - 1254/3.0=1 HB THR 83 - HD3 LYS 14 lone 6 73 - 8 - 1254/3.0=1 HA LYS 91 - HD3 LYS 65 lone 6 100 - 6 - HA LYS 91 - HD2 LYS 65 lone 6 99 - 6 - HA LYS 26 - HD3 LYS 65 lone 3 100 - 3 - HA LYS 26 - HD2 LYS 65 lone 3 99 - 3 - HA3 GLY 61 - HD3 LYS 65 lone 2 70 - 3 - HA3 GLY 61 - HD2 LYS 65 lone 2 69 - 3 - HB2 SER 62 - HD3 LYS 65 lone 1 86 - 2 - HB2 SER 62 - HD2 LYS 65 lone 1 85 - 2 - HB THR 83 - HD3 LYS 65 lone 1 73 - 2 - HB THR 83 - HD2 LYS 65 lone 1 71 - 2 - Peak 1265 from cnoeabs.peaks (1.65, 1.58, 28.78 ppm; 3.64 A): 8 out of 40 assignments used, quality = 1.00: HB3 LYS 14 + HD2 LYS 14 OK 100 100 - 100 - 3.6=99, 1.8/1239=8...(30) * HB2 LYS 14 + HD2 LYS 14 OK 100 100 - 100 - 3.6=99, 1.8/1239=8...(30) HB3 LYS 14 + HD3 LYS 14 OK 100 100 - 100 - 3.6=99, 1.8/1239=8...(30) HB2 LYS 14 + HD3 LYS 14 OK 100 100 - 100 - 3.6=99, 1.8/1239=8...(30) HB3 LYS 14 + HD3 LYS 65 OK 55 100 - 55 - 3.0/1259=5, 1230=4...(34) HB2 LYS 14 + HD3 LYS 65 OK 55 100 - 55 - 3.0/1259=5, 1240=4...(34) HB2 LYS 14 + HD2 LYS 65 OK 54 99 - 55 - 3.0/1259=5, 1240=4...(34) HB3 LYS 14 + HD2 LYS 65 OK 54 99 - 55 - 3.0/1259=5, 1230=4...(34) HD2 LYS 91 - HD2 LYS 14 lone 9 98 - 9 - 1255/3.0=1, 5.2/1219=1 HD2 LYS 91 - HD3 LYS 14 lone 9 98 - 9 - 1255/3.0=1, 5.2/1219=1 HD3 LYS 91 - HD2 LYS 14 lone 9 97 - 9 - 1255/3.0=1, 5.2/1219=1 HD3 LYS 91 - HD3 LYS 14 lone 9 97 - 9 - 1255/3.0=1, 5.2/1219=1 HB3 LEU 73 - HD3 LYS 65 lone 4 70 - 5 - HB3 LEU 73 - HD2 LYS 65 lone 4 69 - 5 - HB3 LEU 73 - HD2 LYS 14 lone 3 71 - 4 - HB3 LEU 73 - HD3 LYS 14 lone 3 71 - 4 - HG2 ARG 28 - HD2 LYS 14 lone 3 93 - 3 - HG2 ARG 28 - HD3 LYS 14 lone 3 93 - 3 - HG3 ARG 28 - HD2 LYS 14 lone 3 90 - 3 - HG3 ARG 28 - HD3 LYS 14 lone 3 90 - 3 - HG LEU 73 - HD3 LYS 65 lone 2 62 - 4 - HG LEU 73 - HD2 LYS 14 lone 2 63 - 4 - HG LEU 73 - HD3 LYS 14 lone 2 63 - 4 - HG LEU 73 - HD2 LYS 65 lone 2 61 - 4 - HG2 ARG 28 - HD3 LYS 65 lone 2 93 - 2 - HG2 ARG 28 - HD2 LYS 65 lone 2 92 - 2 - HG3 ARG 28 - HD3 LYS 65 lone 2 90 - 2 - HG3 ARG 28 - HD2 LYS 65 lone 2 89 - 2 - HD2 LYS 91 - HD3 LYS 65 lone 2 98 - 2 - HD3 LYS 91 - HD3 LYS 65 lone 2 97 - 2 - HD2 LYS 91 - HD2 LYS 65 lone 2 97 - 2 - HD3 LYS 91 - HD2 LYS 65 lone 2 96 - 2 - HD2 LYS 31 - HD2 LYS 14 lone 1 71 - 2 - HD2 LYS 31 - HD3 LYS 14 lone 1 71 - 2 - HD3 LYS 31 - HD2 LYS 14 lone 1 65 - 2 - HD3 LYS 31 - HD3 LYS 14 lone 1 65 - 2 - HD2 LYS 31 - HD3 LYS 65 lone 1 70 - 1 - HD2 LYS 31 - HD2 LYS 65 lone 1 69 - 1 - HD3 LYS 31 - HD3 LYS 65 lone 1 65 - 1 - HD3 LYS 31 - HD2 LYS 65 lone 1 64 - 1 - Peak 1266 from cnoeabs.peaks (1.65, 1.58, 28.78 ppm; 3.64 A): 8 out of 40 assignments used, quality = 1.00: * HB3 LYS 14 + HD2 LYS 14 OK 100 100 - 100 - 3.6=99, 1.8/1239=8...(30) HB2 LYS 14 + HD2 LYS 14 OK 100 100 - 100 - 3.6=99, 1.8/1239=8...(30) HB3 LYS 14 + HD3 LYS 14 OK 100 100 - 100 - 3.6=99, 1.8/1239=8...(30) HB2 LYS 14 + HD3 LYS 14 OK 100 100 - 100 - 3.6=99, 1.8/1239=8...(30) HB3 LYS 14 + HD3 LYS 65 OK 55 100 - 55 - 3.0/1259=5, 1230=4...(34) HB2 LYS 14 + HD3 LYS 65 OK 55 100 - 55 - 3.0/1259=5, 1240=4...(34) HB2 LYS 14 + HD2 LYS 65 OK 54 99 - 55 - 3.0/1259=5, 1240=4...(34) HB3 LYS 14 + HD2 LYS 65 OK 54 99 - 55 - 3.0/1259=5, 1230=4...(34) HD2 LYS 91 - HD2 LYS 14 lone 9 98 - 9 - 1255/3.0=1, 5.2/1219=1 HD2 LYS 91 - HD3 LYS 14 lone 9 98 - 9 - 1255/3.0=1, 5.2/1219=1 HD3 LYS 91 - HD2 LYS 14 lone 9 97 - 9 - 1255/3.0=1, 5.2/1219=1 HD3 LYS 91 - HD3 LYS 14 lone 9 97 - 9 - 1255/3.0=1, 5.2/1219=1 HB3 LEU 73 - HD3 LYS 65 lone 4 70 - 5 - HB3 LEU 73 - HD2 LYS 65 lone 4 69 - 5 - HB3 LEU 73 - HD2 LYS 14 lone 3 71 - 4 - HB3 LEU 73 - HD3 LYS 14 lone 3 71 - 4 - HG2 ARG 28 - HD2 LYS 14 lone 3 93 - 3 - HG2 ARG 28 - HD3 LYS 14 lone 3 93 - 3 - HG3 ARG 28 - HD2 LYS 14 lone 3 90 - 3 - HG3 ARG 28 - HD3 LYS 14 lone 3 90 - 3 - HG LEU 73 - HD3 LYS 65 lone 2 62 - 4 - HG LEU 73 - HD2 LYS 14 lone 2 63 - 4 - HG LEU 73 - HD3 LYS 14 lone 2 63 - 4 - HG LEU 73 - HD2 LYS 65 lone 2 61 - 4 - HG2 ARG 28 - HD3 LYS 65 lone 2 93 - 2 - HG2 ARG 28 - HD2 LYS 65 lone 2 92 - 2 - HG3 ARG 28 - HD3 LYS 65 lone 2 90 - 2 - HG3 ARG 28 - HD2 LYS 65 lone 2 89 - 2 - HD2 LYS 91 - HD3 LYS 65 lone 2 98 - 2 - HD3 LYS 91 - HD3 LYS 65 lone 2 97 - 2 - HD2 LYS 91 - HD2 LYS 65 lone 2 97 - 2 - HD3 LYS 91 - HD2 LYS 65 lone 2 96 - 2 - HD2 LYS 31 - HD2 LYS 14 lone 1 71 - 2 - HD2 LYS 31 - HD3 LYS 14 lone 1 71 - 2 - HD3 LYS 31 - HD2 LYS 14 lone 1 65 - 2 - HD3 LYS 31 - HD3 LYS 14 lone 1 65 - 2 - HD2 LYS 31 - HD3 LYS 65 lone 1 70 - 1 - HD2 LYS 31 - HD2 LYS 65 lone 1 69 - 1 - HD3 LYS 31 - HD3 LYS 65 lone 1 65 - 1 - HD3 LYS 31 - HD2 LYS 65 lone 1 64 - 1 - Peak 1267 from cnoeabs.peaks (1.20, 1.58, 28.78 ppm; 3.02 A): 4 out of 36 assignments used, quality = 1.00: * HG2 LYS 14 + HD2 LYS 14 OK 100 100 - 100 - 3.0=100 HG2 LYS 14 + HD3 LYS 14 OK 100 100 - 100 - 3.0=100 HG2 LYS 14 + HD3 LYS 65 OK 46 100 - 47 - 1.8/1259=5, 1250=4...(16) HG2 LYS 14 + HD2 LYS 65 OK 46 99 - 47 - 1.8/1259=5, 1250=4...(16) HG3 LYS 26 - HD2 LYS 14 OK 22 100 - 22 - 1257/3.0=4, 1250=2...(11) HG3 LYS 26 - HD3 LYS 14 OK 22 100 - 22 - 1257/3.0=4, 1250=2...(11) HD2 LYS 68 - HD3 LYS 65 OK 18 73 - 24 - 5555/4.6=2, 3.0/3055=1...(4) HD2 LYS 68 - HD2 LYS 65 OK 17 71 - 24 - 5555/4.6=2, 3.0/3055=1...(4) HD3 LYS 68 - HD3 LYS 65 OK 17 70 - 24 - 5555/4.6=2, 3.0/3055=1...(4) HD3 LYS 68 - HD2 LYS 65 OK 17 69 - 24 - 5555/4.6=2, 3.0/3055=1...(4) HD2 LYS 68 - HD2 LYS 14 poor 10 73 - 13 - HD2 LYS 68 - HD3 LYS 14 poor 10 73 - 13 - HG3 LYS 44 - HD3 LYS 65 poor 10 73 - 13 - HD3 LYS 68 - HD2 LYS 14 poor 9 71 - 13 - HG3 LYS 44 - HD2 LYS 65 poor 9 71 - 13 - HD3 LYS 68 - HD3 LYS 14 poor 9 71 - 13 - HG3 LYS 44 - HD2 LYS 14 lone 7 73 - 9 - 1257/3.0=1 HG3 LYS 44 - HD3 LYS 14 lone 7 73 - 9 - 1257/3.0=1 QG2 THR 83 - HD2 LYS 14 lone 5 97 - 5 - QG2 THR 83 - HD3 LYS 14 lone 5 97 - 5 - QD1 LEU 34 - HD3 LYS 65 lone 3 91 - 4 - QD1 LEU 34 - HD2 LYS 65 lone 3 90 - 4 - QD1 LEU 34 - HD2 LYS 14 lone 3 92 - 3 - QD1 LEU 34 - HD3 LYS 14 lone 3 92 - 3 - HG3 LYS 26 - HD3 LYS 65 lone 3 100 - 3 - HG3 LYS 26 - HD2 LYS 65 lone 2 99 - 3 - HG2 ARG 45 - HD3 LYS 65 lone 1 60 - 2 - HG2 ARG 45 - HD2 LYS 65 lone 1 58 - 2 - QG2 THR 83 - HD3 LYS 65 lone 1 96 - 1 - QG2 THR 83 - HD2 LYS 65 lone 1 95 - 1 - HG13 ILE 35 - HD2 LYS 14 lone 1 63 - 1 - HG13 ILE 35 - HD3 LYS 14 lone 1 63 - 1 - HG13 ILE 35 - HD3 LYS 65 lone 1 62 - 1 - HG2 ARG 45 - HD2 LYS 14 lone 1 60 - 1 - HG2 ARG 45 - HD3 LYS 14 lone 1 60 - 1 - HG13 ILE 35 - HD2 LYS 65 lone 1 61 - 1 - Peak 1268 from cnoeabs.peaks (1.10, 1.58, 28.78 ppm; 3.13 A): 4 out of 16 assignments used, quality = 1.00: * HG3 LYS 14 + HD2 LYS 14 OK 100 100 - 100 - 3.0=100 HG3 LYS 14 + HD3 LYS 14 OK 100 100 - 100 - 3.0=100 HG3 LYS 14 + HD3 LYS 65 OK 48 100 - 48 - 1259=6, 1259/1.8=5...(14) HG3 LYS 14 + HD2 LYS 65 OK 48 99 - 48 - 1259=6, 1259/1.8=5...(14) QG1 VAL 66 - HD3 LYS 65 OK 11 86 - 13 - 4.0/306=2, ~5464=2...(6) QG1 VAL 66 - HD2 LYS 65 OK 11 85 - 13 - 4.0/306=2, ~5464=2...(6) QG1 VAL 66 - HD2 LYS 14 OK 11 87 - 12 - 1218/4.9=1, 1248/3.0=1...(5) QG1 VAL 66 - HD3 LYS 14 OK 11 87 - 12 - 1218/4.9=1, 1248/3.0=1...(5) QG2 THR 13 - HD2 LYS 14 lone 7 100 - 7 - 1248/3.0=1 QG2 THR 13 - HD3 LYS 14 lone 7 100 - 7 - 1248/3.0=1 QG2 THR 13 - HD3 LYS 65 lone 4 100 - 4 - QG2 THR 13 - HD2 LYS 65 lone 4 99 - 4 - QG2 THR 38 - HD2 LYS 14 lone 2 85 - 2 - QG2 THR 38 - HD3 LYS 14 lone 2 85 - 2 - QG2 THR 38 - HD3 LYS 65 lone 1 84 - 2 - QG2 THR 38 - HD2 LYS 65 lone 1 83 - 2 - Peak 1269 from cnoeabs.peaks (1.58, 1.58, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 LYS 14 + HD2 LYS 14 OK 100 100 - 100 HD3 LYS 14 + HD3 LYS 14 OK 100 100 - 100 HD3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 HD2 LYS 65 + HD2 LYS 65 OK 98 98 - 100 Peak 1270 from cnoeabs.peaks (1.58, 1.58, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 14 + HD3 LYS 14 OK 100 100 - 100 HD2 LYS 14 + HD2 LYS 14 OK 100 100 - 100 HD3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 HD2 LYS 65 + HD2 LYS 65 OK 99 99 - 100 Reference assignment not found: HD3 LYS 14 - HD2 LYS 14 Peak 1271 from cnoeabs.peaks (2.91, 1.58, 28.78 ppm; 2.69 A): 6 out of 28 assignments used, quality = 1.00: * HE2 LYS 14 + HD2 LYS 14 OK 83 100 - 83 - 3.0=73, 1288/3.0=5...(20) HE2 LYS 14 + HD3 LYS 14 OK 83 100 - 83 - 3.0=73, 1288/3.0=5...(20) HE3 LYS 14 + HD2 LYS 14 OK 83 100 - 83 - 3.0=73, 1288/3.0=5...(18) HE3 LYS 14 + HD3 LYS 14 OK 83 100 - 83 - 3.0=73, 1288/3.0=5...(18) HE3 LYS 65 + HD3 LYS 65 OK 53 62 - 86 - 3.0=76, 1.8/2983=5...(24) HE3 LYS 65 + HD2 LYS 65 OK 52 61 - 86 - 3.0=76, 1.8/2983=5...(24) HE2 LYS 14 - HD3 LYS 65 OK 27 100 - 27 - 1289=2, 3.9/1259=2...(5) HE2 LYS 14 - HD2 LYS 65 OK 27 99 - 27 - 1289=2, 3.9/1260=2...(5) HE3 LYS 14 - HD3 LYS 65 OK 23 100 - 24 - 3.9/1259=2, 1289=2...(5) HE3 LYS 14 - HD2 LYS 65 OK 23 99 - 24 - 3.9/1260=2, 1289=2...(5) HE3 LYS 65 - HD2 LYS 14 OK 13 63 - 22 - 3.8/2943=2, 3.8/2953=2...(6) HE3 LYS 65 - HD3 LYS 14 OK 13 63 - 22 - 3.8/2943=2, 3.8/2953=2...(6) HB3 PHE 80 - HD3 LYS 65 lone 6 100 - 6 - HB3 PHE 80 - HD2 LYS 65 lone 6 99 - 6 - HB2 ASN 63 - HD3 LYS 65 lone 6 100 - 6 - 5411/6.2=1 HB2 ASN 63 - HD2 LYS 65 lone 6 99 - 6 - 5411/6.2=1 HB2 ASN 24 - HD3 LYS 65 lone 3 98 - 3 - HB2 ASN 24 - HD2 LYS 65 lone 3 97 - 3 - HB3 PHE 80 - HD2 LYS 14 lone 2 100 - 2 - HB3 PHE 80 - HD3 LYS 14 lone 2 100 - 2 - HB2 ASN 63 - HD2 LYS 14 lone 2 100 - 2 - HB2 ASN 63 - HD3 LYS 14 lone 2 100 - 2 - HB2 ASN 24 - HD2 LYS 14 lone 2 98 - 1 - HB2 ASN 24 - HD3 LYS 14 lone 2 98 - 1 - HB2 ASP 53 - HD3 LYS 65 lone 1 90 - 1 - HB2 ASP 53 - HD2 LYS 65 lone 1 89 - 1 - HB2 ASP 53 - HD3 LYS 14 lone 1 90 - 1 - HB2 ASP 53 - HD2 LYS 14 lone 1 90 - 1 - Peak 1272 from cnoeabs.peaks (2.91, 1.58, 28.78 ppm; 2.69 A): 8 out of 32 assignments used, quality = 1.00: HE2 LYS 14 + HD2 LYS 14 OK 83 100 - 83 - 3.0=73, 1288/3.0=5...(20) HE2 LYS 14 + HD3 LYS 14 OK 83 100 - 83 - 3.0=73, 1288/3.0=5...(20) * HE3 LYS 14 + HD2 LYS 14 OK 83 100 - 83 - 3.0=73, 1288/3.0=5...(18) HE3 LYS 14 + HD3 LYS 14 OK 83 100 - 83 - 3.0=73, 1288/3.0=5...(18) HE3 LYS 65 + HD3 LYS 65 OK 60 70 - 86 - 3.0=76, 1.8/2983=5...(25) HE3 LYS 65 + HD2 LYS 65 OK 59 69 - 86 - 3.0=76, 1.8/2983=5...(25) HE2 LYS 65 + HD3 LYS 65 OK 51 60 - 86 - 3.0=76, 1.8/2983=5...(26) HE2 LYS 65 + HD2 LYS 65 OK 50 58 - 86 - 3.0=76, 1.8/2983=5...(26) HE2 LYS 14 - HD3 LYS 65 OK 27 100 - 27 - 1289=2, 3.9/1259=2...(5) HE2 LYS 14 - HD2 LYS 65 OK 27 99 - 27 - 1289=2, 3.9/1260=2...(5) HE3 LYS 14 - HD3 LYS 65 OK 24 100 - 24 - 3.9/1259=2, 1289=2...(5) HE3 LYS 14 - HD2 LYS 65 OK 23 99 - 24 - 3.9/1260=2, 1289=2...(5) HE3 LYS 65 - HD2 LYS 14 OK 15 71 - 22 - 3.8/2943=2, 3.8/2953=2...(6) HE3 LYS 65 - HD3 LYS 14 OK 15 71 - 22 - 3.8/2943=2, 3.8/2953=2...(6) HE2 LYS 65 - HD2 LYS 14 OK 14 60 - 24 - 3.8/2943=2, 3.8/2953=2...(6) HE2 LYS 65 - HD3 LYS 14 OK 14 60 - 24 - 3.8/2943=2, 3.8/2953=2...(6) HB3 PHE 80 - HD3 LYS 65 lone 6 100 - 6 - HB3 PHE 80 - HD2 LYS 65 lone 6 99 - 6 - HB2 ASN 63 - HD3 LYS 65 lone 6 100 - 6 - 5411/6.2=1 HB2 ASN 63 - HD2 LYS 65 lone 6 99 - 6 - 5411/6.2=1 HB2 ASN 24 - HD3 LYS 65 lone 3 95 - 3 - HB2 ASN 24 - HD2 LYS 65 lone 3 94 - 3 - HB3 PHE 80 - HD2 LYS 14 lone 2 100 - 2 - HB3 PHE 80 - HD3 LYS 14 lone 2 100 - 2 - HB2 ASN 63 - HD2 LYS 14 lone 2 100 - 2 - HB2 ASN 63 - HD3 LYS 14 lone 2 100 - 2 - HB2 ASN 24 - HD2 LYS 14 lone 1 96 - 1 - HB2 ASN 24 - HD3 LYS 14 lone 1 96 - 1 - HB2 ASP 53 - HD3 LYS 65 lone 1 94 - 1 - HB2 ASP 53 - HD2 LYS 65 lone 1 93 - 1 - HB2 ASP 53 - HD3 LYS 14 lone 1 94 - 1 - HB2 ASP 53 - HD2 LYS 14 lone 1 95 - 1 - Peak 1274 from cnoeabs.peaks (4.10, 1.58, 28.78 ppm; 4.14 A): 2 out of 24 assignments used, quality = 0.98: * HA LYS 14 + HD3 LYS 14 OK 85 100 - 85 - 4.9=60, 1219/1.8=12...(23) HA LYS 14 + HD2 LYS 14 OK 85 100 - 85 - 4.9=60, 1219/1.8=12...(23) HA LYS 14 - HD3 LYS 65 OK 42 100 - 42 - 1220=6, 1219/1.8=5...(19) HA LYS 14 - HD2 LYS 65 OK 41 100 - 42 - 1220=6, 1219/1.8=5...(19) HA LYS 91 - HD3 LYS 14 OK 29 100 - 29 - 1218/3.0=5, 1220=4...(9) HA LYS 91 - HD2 LYS 14 OK 29 100 - 29 - 1218/3.0=5, 1220=4...(9) HA LYS 26 - HD2 LYS 14 OK 27 100 - 27 - 1254/3.0=5, 1673/3.0=4...(13) HA LYS 26 - HD3 LYS 14 OK 27 100 - 27 - 1254/3.0=5, 1673/3.0=4...(13) HB2 SER 62 - HD3 LYS 14 OK 14 87 - 15 - ~5389=5, 2791/5.9=3...(6) HB2 SER 62 - HD2 LYS 14 OK 14 87 - 15 - ~5389=5, 2791/5.9=3...(6) HA3 GLY 61 - HD3 LYS 14 poor 8 71 - 12 - ~5378=3, 5379/3.0=3, 4015/5.9=2 HA3 GLY 61 - HD2 LYS 14 poor 8 71 - 12 - ~5378=3, 5379/3.0=3, 4015/5.9=2 HB THR 83 - HD3 LYS 14 lone 6 73 - 8 - 1254/3.0=1 HB THR 83 - HD2 LYS 14 lone 6 73 - 8 - 1254/3.0=1 HA LYS 91 - HD3 LYS 65 lone 6 100 - 6 - HA LYS 91 - HD2 LYS 65 lone 6 100 - 6 - HA LYS 26 - HD3 LYS 65 lone 3 100 - 3 - HA LYS 26 - HD2 LYS 65 lone 3 99 - 3 - HA3 GLY 61 - HD3 LYS 65 lone 2 71 - 3 - HA3 GLY 61 - HD2 LYS 65 lone 2 70 - 3 - HB2 SER 62 - HD3 LYS 65 lone 1 87 - 2 - HB2 SER 62 - HD2 LYS 65 lone 1 86 - 2 - HB THR 83 - HD3 LYS 65 lone 1 73 - 2 - HB THR 83 - HD2 LYS 65 lone 1 72 - 2 - Peak 1275 from cnoeabs.peaks (1.65, 1.58, 28.78 ppm; 3.64 A): 8 out of 40 assignments used, quality = 1.00: HB3 LYS 14 + HD3 LYS 14 OK 100 100 - 100 - 3.6=99, 1.8/1239=8...(30) * HB2 LYS 14 + HD3 LYS 14 OK 100 100 - 100 - 3.6=99, 1.8/1239=8...(30) HB2 LYS 14 + HD2 LYS 14 OK 100 100 - 100 - 3.6=99, 1.8/1239=8...(30) HB3 LYS 14 + HD2 LYS 14 OK 100 100 - 100 - 3.6=99, 1.8/1239=8...(30) HB3 LYS 14 + HD3 LYS 65 OK 55 100 - 55 - 3.0/1259=5, 1230=4...(34) HB2 LYS 14 + HD3 LYS 65 OK 55 100 - 55 - 3.0/1259=5, 1240=4...(34) HB2 LYS 14 + HD2 LYS 65 OK 55 100 - 55 - 3.0/1259=5, 1240=4...(34) HB3 LYS 14 + HD2 LYS 65 OK 55 100 - 55 - 3.0/1259=5, 1230=4...(34) HD2 LYS 91 - HD3 LYS 14 lone 9 98 - 9 - 1255/3.0=1, 5.2/1219=1 HD2 LYS 91 - HD2 LYS 14 lone 9 98 - 9 - 1255/3.0=1, 5.2/1219=1 HD3 LYS 91 - HD3 LYS 14 lone 9 97 - 9 - 1255/3.0=1, 5.2/1219=1 HD3 LYS 91 - HD2 LYS 14 lone 9 97 - 9 - 1255/3.0=1, 5.2/1219=1 HB3 LEU 73 - HD3 LYS 65 lone 4 71 - 5 - HB3 LEU 73 - HD2 LYS 65 lone 4 70 - 5 - HB3 LEU 73 - HD3 LYS 14 lone 3 71 - 4 - HB3 LEU 73 - HD2 LYS 14 lone 3 71 - 4 - HG2 ARG 28 - HD3 LYS 14 lone 3 93 - 3 - HG2 ARG 28 - HD2 LYS 14 lone 3 93 - 3 - HG3 ARG 28 - HD3 LYS 14 lone 3 90 - 3 - HG3 ARG 28 - HD2 LYS 14 lone 3 90 - 3 - HG LEU 73 - HD3 LYS 65 lone 2 63 - 4 - HG LEU 73 - HD3 LYS 14 lone 2 63 - 4 - HG LEU 73 - HD2 LYS 14 lone 2 63 - 4 - HG LEU 73 - HD2 LYS 65 lone 2 62 - 4 - HG2 ARG 28 - HD3 LYS 65 lone 2 93 - 2 - HG2 ARG 28 - HD2 LYS 65 lone 2 92 - 2 - HG3 ARG 28 - HD3 LYS 65 lone 2 90 - 2 - HG3 ARG 28 - HD2 LYS 65 lone 2 89 - 2 - HD2 LYS 91 - HD3 LYS 65 lone 2 98 - 2 - HD3 LYS 91 - HD3 LYS 65 lone 2 97 - 2 - HD2 LYS 91 - HD2 LYS 65 lone 2 97 - 2 - HD3 LYS 91 - HD2 LYS 65 lone 2 96 - 2 - HD2 LYS 31 - HD3 LYS 14 lone 1 71 - 2 - HD2 LYS 31 - HD2 LYS 14 lone 1 71 - 2 - HD3 LYS 31 - HD3 LYS 14 lone 1 65 - 2 - HD3 LYS 31 - HD2 LYS 14 lone 1 65 - 2 - HD2 LYS 31 - HD3 LYS 65 lone 1 71 - 1 - HD2 LYS 31 - HD2 LYS 65 lone 1 70 - 1 - HD3 LYS 31 - HD3 LYS 65 lone 1 65 - 1 - HD3 LYS 31 - HD2 LYS 65 lone 1 64 - 1 - Peak 1276 from cnoeabs.peaks (1.65, 1.58, 28.78 ppm; 3.64 A): 8 out of 40 assignments used, quality = 1.00: * HB3 LYS 14 + HD3 LYS 14 OK 100 100 - 100 - 3.6=99, 1.8/1239=8...(30) HB2 LYS 14 + HD3 LYS 14 OK 100 100 - 100 - 3.6=99, 1.8/1239=8...(30) HB2 LYS 14 + HD2 LYS 14 OK 100 100 - 100 - 3.6=99, 1.8/1239=8...(30) HB3 LYS 14 + HD2 LYS 14 OK 100 100 - 100 - 3.6=99, 1.8/1239=8...(30) HB3 LYS 14 + HD3 LYS 65 OK 55 100 - 55 - 3.0/1259=5, 1230=4...(34) HB2 LYS 14 + HD3 LYS 65 OK 55 100 - 55 - 3.0/1259=5, 1240=4...(34) HB2 LYS 14 + HD2 LYS 65 OK 55 100 - 55 - 3.0/1259=5, 1240=4...(34) HB3 LYS 14 + HD2 LYS 65 OK 55 100 - 55 - 3.0/1259=5, 1230=4...(34) HD2 LYS 91 - HD3 LYS 14 lone 9 98 - 9 - 1255/3.0=1, 5.2/1219=1 HD2 LYS 91 - HD2 LYS 14 lone 9 98 - 9 - 1255/3.0=1, 5.2/1219=1 HD3 LYS 91 - HD3 LYS 14 lone 9 97 - 9 - 1255/3.0=1, 5.2/1219=1 HD3 LYS 91 - HD2 LYS 14 lone 9 97 - 9 - 1255/3.0=1, 5.2/1219=1 HB3 LEU 73 - HD3 LYS 65 lone 4 71 - 5 - HB3 LEU 73 - HD2 LYS 65 lone 4 70 - 5 - HB3 LEU 73 - HD3 LYS 14 lone 3 71 - 4 - HB3 LEU 73 - HD2 LYS 14 lone 3 71 - 4 - HG2 ARG 28 - HD3 LYS 14 lone 3 93 - 3 - HG2 ARG 28 - HD2 LYS 14 lone 3 93 - 3 - HG3 ARG 28 - HD3 LYS 14 lone 3 90 - 3 - HG3 ARG 28 - HD2 LYS 14 lone 3 90 - 3 - HG LEU 73 - HD3 LYS 65 lone 2 63 - 4 - HG LEU 73 - HD3 LYS 14 lone 2 63 - 4 - HG LEU 73 - HD2 LYS 14 lone 2 63 - 4 - HG LEU 73 - HD2 LYS 65 lone 2 62 - 4 - HG2 ARG 28 - HD3 LYS 65 lone 2 93 - 2 - HG2 ARG 28 - HD2 LYS 65 lone 2 92 - 2 - HG3 ARG 28 - HD3 LYS 65 lone 2 90 - 2 - HG3 ARG 28 - HD2 LYS 65 lone 2 89 - 2 - HD2 LYS 91 - HD3 LYS 65 lone 2 98 - 2 - HD3 LYS 91 - HD3 LYS 65 lone 2 97 - 2 - HD2 LYS 91 - HD2 LYS 65 lone 2 97 - 2 - HD3 LYS 91 - HD2 LYS 65 lone 2 96 - 2 - HD2 LYS 31 - HD3 LYS 14 lone 1 71 - 2 - HD2 LYS 31 - HD2 LYS 14 lone 1 71 - 2 - HD3 LYS 31 - HD3 LYS 14 lone 1 65 - 2 - HD3 LYS 31 - HD2 LYS 14 lone 1 65 - 2 - HD2 LYS 31 - HD3 LYS 65 lone 1 71 - 1 - HD2 LYS 31 - HD2 LYS 65 lone 1 70 - 1 - HD3 LYS 31 - HD3 LYS 65 lone 1 65 - 1 - HD3 LYS 31 - HD2 LYS 65 lone 1 64 - 1 - Peak 1277 from cnoeabs.peaks (1.20, 1.58, 28.78 ppm; 3.02 A): 4 out of 36 assignments used, quality = 1.00: * HG2 LYS 14 + HD3 LYS 14 OK 100 100 - 100 - 3.0=100 HG2 LYS 14 + HD2 LYS 14 OK 100 100 - 100 - 3.0=100 HG2 LYS 14 + HD3 LYS 65 OK 46 100 - 47 - 1.8/1259=5, 1250=4...(16) HG2 LYS 14 + HD2 LYS 65 OK 46 100 - 47 - 1.8/1259=5, 1250=4...(16) HG3 LYS 26 - HD2 LYS 14 OK 22 100 - 22 - 1257/3.0=4, 1250=2...(11) HG3 LYS 26 - HD3 LYS 14 OK 22 100 - 22 - 1257/3.0=4, 1250=2...(11) HD2 LYS 68 - HD3 LYS 65 OK 18 73 - 24 - 5555/4.6=2, 3.0/3055=1...(4) HD2 LYS 68 - HD2 LYS 65 OK 17 72 - 24 - 5555/4.6=2, 3.0/3055=1...(4) HD3 LYS 68 - HD3 LYS 65 OK 17 71 - 24 - 5555/4.6=2, 3.0/3055=1...(4) HD3 LYS 68 - HD2 LYS 65 OK 17 70 - 24 - 5555/4.6=2, 3.0/3055=1...(4) HD2 LYS 68 - HD2 LYS 14 poor 10 73 - 13 - HD2 LYS 68 - HD3 LYS 14 poor 10 73 - 13 - HG3 LYS 44 - HD3 LYS 65 poor 10 73 - 13 - HG3 LYS 44 - HD2 LYS 65 poor 9 72 - 13 - HD3 LYS 68 - HD2 LYS 14 poor 9 71 - 13 - HD3 LYS 68 - HD3 LYS 14 poor 9 71 - 13 - HG3 LYS 44 - HD3 LYS 14 lone 7 73 - 9 - 1257/3.0=1 HG3 LYS 44 - HD2 LYS 14 lone 7 73 - 9 - 1257/3.0=1 QG2 THR 83 - HD3 LYS 14 lone 5 97 - 5 - QG2 THR 83 - HD2 LYS 14 lone 5 97 - 5 - QD1 LEU 34 - HD3 LYS 65 lone 3 92 - 4 - QD1 LEU 34 - HD2 LYS 65 lone 3 91 - 4 - QD1 LEU 34 - HD2 LYS 14 lone 3 92 - 3 - QD1 LEU 34 - HD3 LYS 14 lone 3 92 - 3 - HG3 LYS 26 - HD3 LYS 65 lone 3 100 - 3 - HG3 LYS 26 - HD2 LYS 65 lone 2 99 - 3 - HG2 ARG 45 - HD3 LYS 65 lone 1 60 - 2 - HG2 ARG 45 - HD2 LYS 65 lone 1 59 - 2 - QG2 THR 83 - HD3 LYS 65 lone 1 96 - 1 - QG2 THR 83 - HD2 LYS 65 lone 1 96 - 1 - HG13 ILE 35 - HD2 LYS 14 lone 1 63 - 1 - HG13 ILE 35 - HD3 LYS 14 lone 1 63 - 1 - HG13 ILE 35 - HD3 LYS 65 lone 1 63 - 1 - HG2 ARG 45 - HD3 LYS 14 lone 1 60 - 1 - HG2 ARG 45 - HD2 LYS 14 lone 1 60 - 1 - HG13 ILE 35 - HD2 LYS 65 lone 1 62 - 1 - Peak 1278 from cnoeabs.peaks (1.10, 1.58, 28.78 ppm; 3.13 A): 4 out of 16 assignments used, quality = 1.00: * HG3 LYS 14 + HD3 LYS 14 OK 100 100 - 100 - 3.0=100 HG3 LYS 14 + HD2 LYS 14 OK 100 100 - 100 - 3.0=100 HG3 LYS 14 + HD3 LYS 65 OK 48 100 - 48 - 1259=6, 1259/1.8=5...(14) HG3 LYS 14 + HD2 LYS 65 OK 48 100 - 48 - 1259=6, 1259/1.8=5...(14) QG1 VAL 66 - HD3 LYS 65 OK 11 87 - 13 - 4.0/306=2, ~5464=2...(6) QG1 VAL 66 - HD2 LYS 65 OK 11 86 - 13 - 4.0/306=2, ~5464=2...(6) QG1 VAL 66 - HD3 LYS 14 OK 11 87 - 12 - 1218/4.9=1, 1248/3.0=1...(5) QG1 VAL 66 - HD2 LYS 14 OK 11 87 - 12 - 1218/4.9=1, 1248/3.0=1...(5) QG2 THR 13 - HD2 LYS 14 lone 7 100 - 7 - 1248/3.0=1 QG2 THR 13 - HD3 LYS 14 lone 7 100 - 7 - 1248/3.0=1 QG2 THR 13 - HD3 LYS 65 lone 4 100 - 4 - QG2 THR 13 - HD2 LYS 65 lone 4 99 - 4 - QG2 THR 38 - HD2 LYS 14 lone 2 85 - 2 - QG2 THR 38 - HD3 LYS 14 lone 2 85 - 2 - QG2 THR 38 - HD3 LYS 65 lone 1 85 - 2 - QG2 THR 38 - HD2 LYS 65 lone 1 84 - 2 - Peak 1279 from cnoeabs.peaks (1.58, 1.58, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 14 + HD3 LYS 14 OK 100 100 - 100 HD2 LYS 14 + HD2 LYS 14 OK 100 100 - 100 HD3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 HD2 LYS 65 + HD2 LYS 65 OK 99 99 - 100 Reference assignment not found: HD2 LYS 14 - HD3 LYS 14 Peak 1280 from cnoeabs.peaks (1.58, 1.58, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 14 + HD3 LYS 14 OK 100 100 - 100 HD2 LYS 14 + HD2 LYS 14 OK 100 100 - 100 HD3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 HD2 LYS 65 + HD2 LYS 65 OK 99 99 - 100 Peak 1281 from cnoeabs.peaks (2.91, 1.58, 28.78 ppm; 2.69 A): 6 out of 28 assignments used, quality = 1.00: HE2 LYS 14 + HD2 LYS 14 OK 83 100 - 83 - 3.0=73, 1288/3.0=5...(20) * HE2 LYS 14 + HD3 LYS 14 OK 83 100 - 83 - 3.0=73, 1288/3.0=5...(20) HE3 LYS 14 + HD3 LYS 14 OK 83 100 - 83 - 3.0=73, 1288/3.0=5...(18) HE3 LYS 14 + HD2 LYS 14 OK 83 100 - 83 - 3.0=73, 1288/3.0=5...(18) HE3 LYS 65 + HD3 LYS 65 OK 54 63 - 86 - 3.0=76, 1.8/2983=5...(24) HE3 LYS 65 + HD2 LYS 65 OK 53 62 - 86 - 3.0=76, 1.8/2983=5...(24) HE2 LYS 14 - HD3 LYS 65 OK 27 100 - 27 - 1289=2, 3.9/1259=2...(5) HE2 LYS 14 - HD2 LYS 65 OK 27 100 - 27 - 1289=2, 3.9/1260=2...(5) HE3 LYS 14 - HD3 LYS 65 OK 23 100 - 24 - 3.9/1259=2, 1289=2...(5) HE3 LYS 14 - HD2 LYS 65 OK 23 99 - 24 - 3.9/1260=2, 1289=2...(5) HE3 LYS 65 - HD3 LYS 14 OK 13 63 - 22 - 3.8/2943=2, 3.8/2953=2...(6) HE3 LYS 65 - HD2 LYS 14 OK 13 63 - 22 - 3.8/2943=2, 3.8/2953=2...(6) HB3 PHE 80 - HD3 LYS 65 lone 6 100 - 6 - HB3 PHE 80 - HD2 LYS 65 lone 6 99 - 6 - HB2 ASN 63 - HD3 LYS 65 lone 6 100 - 6 - 5411/6.2=1 HB2 ASN 63 - HD2 LYS 65 lone 6 100 - 6 - 5411/6.2=1 HB2 ASN 24 - HD3 LYS 65 lone 3 98 - 3 - HB2 ASN 24 - HD2 LYS 65 lone 3 97 - 3 - HB3 PHE 80 - HD2 LYS 14 lone 2 100 - 2 - HB3 PHE 80 - HD3 LYS 14 lone 2 100 - 2 - HB2 ASN 63 - HD2 LYS 14 lone 2 100 - 2 - HB2 ASN 63 - HD3 LYS 14 lone 2 100 - 2 - HB2 ASN 24 - HD2 LYS 14 lone 2 98 - 1 - HB2 ASN 24 - HD3 LYS 14 lone 2 98 - 1 - HB2 ASP 53 - HD2 LYS 65 lone 1 89 - 1 - HB2 ASP 53 - HD3 LYS 65 lone 1 90 - 1 - HB2 ASP 53 - HD3 LYS 14 lone 1 90 - 1 - HB2 ASP 53 - HD2 LYS 14 lone 1 90 - 1 - Peak 1282 from cnoeabs.peaks (2.91, 1.58, 28.78 ppm; 2.69 A): 8 out of 32 assignments used, quality = 1.00: HE2 LYS 14 + HD3 LYS 14 OK 83 100 - 83 - 3.0=73, 1288/3.0=5...(20) HE2 LYS 14 + HD2 LYS 14 OK 83 100 - 83 - 3.0=73, 1288/3.0=5...(20) * HE3 LYS 14 + HD3 LYS 14 OK 83 100 - 83 - 3.0=73, 1288/3.0=5...(18) HE3 LYS 14 + HD2 LYS 14 OK 83 100 - 83 - 3.0=73, 1288/3.0=5...(18) HE3 LYS 65 + HD3 LYS 65 OK 61 71 - 86 - 3.0=76, 1.8/2983=5...(25) HE3 LYS 65 + HD2 LYS 65 OK 60 70 - 86 - 3.0=76, 1.8/2983=5...(25) HE2 LYS 65 + HD3 LYS 65 OK 51 60 - 86 - 3.0=76, 1.8/2983=5...(26) HE2 LYS 65 + HD2 LYS 65 OK 51 59 - 86 - 3.0=76, 1.8/2983=5...(26) HE2 LYS 14 - HD3 LYS 65 OK 27 100 - 27 - 1289=2, 3.9/1259=2...(5) HE2 LYS 14 - HD2 LYS 65 OK 27 99 - 27 - 1289=2, 3.9/1260=2...(5) HE3 LYS 14 - HD3 LYS 65 OK 24 100 - 24 - 3.9/1259=2, 1289=2...(5) HE3 LYS 14 - HD2 LYS 65 OK 23 100 - 24 - 3.9/1260=2, 1289=2...(5) HE3 LYS 65 - HD3 LYS 14 OK 15 71 - 22 - 3.8/2943=2, 3.8/2953=2...(6) HE3 LYS 65 - HD2 LYS 14 OK 15 71 - 22 - 3.8/2943=2, 3.8/2953=2...(6) HE2 LYS 65 - HD3 LYS 14 OK 14 60 - 24 - 3.8/2943=2, 3.8/2953=2...(6) HE2 LYS 65 - HD2 LYS 14 OK 14 60 - 24 - 3.8/2943=2, 3.8/2953=2...(6) HB3 PHE 80 - HD3 LYS 65 lone 6 100 - 6 - HB3 PHE 80 - HD2 LYS 65 lone 6 100 - 6 - HB2 ASN 63 - HD3 LYS 65 lone 6 100 - 6 - 5411/6.2=1 HB2 ASN 63 - HD2 LYS 65 lone 6 99 - 6 - 5411/6.2=1 HB2 ASN 24 - HD3 LYS 65 lone 3 95 - 3 - HB2 ASN 24 - HD2 LYS 65 lone 3 95 - 3 - HB3 PHE 80 - HD2 LYS 14 lone 2 100 - 2 - HB3 PHE 80 - HD3 LYS 14 lone 2 100 - 2 - HB2 ASN 63 - HD2 LYS 14 lone 2 100 - 2 - HB2 ASN 63 - HD3 LYS 14 lone 2 100 - 2 - HB2 ASN 24 - HD2 LYS 14 lone 1 96 - 1 - HB2 ASN 24 - HD3 LYS 14 lone 1 96 - 1 - HB2 ASP 53 - HD2 LYS 65 lone 1 93 - 1 - HB2 ASP 53 - HD3 LYS 65 lone 1 94 - 1 - HB2 ASP 53 - HD2 LYS 14 lone 1 94 - 1 - HB2 ASP 53 - HD3 LYS 14 lone 1 95 - 1 - Peak 1284 from cnoeabs.peaks (4.10, 2.91, 41.78 ppm; 5.17 A): 2 out of 18 assignments used, quality = 0.99: * HA LYS 14 + HE2 LYS 14 OK 89 100 - 89 - 6.6=49, 4.0/1288=13...(23) HA LYS 14 + HE3 LYS 14 OK 89 100 - 89 - 6.6=49, 4.0/1288=13...(23) HA LYS 91 - HE2 LYS 14 OK 28 100 - 29 - 1218/3.9=6, 1217/3.9=4...(7) HA LYS 91 - HE3 LYS 14 OK 28 100 - 28 - 1218/3.9=6, 1217/3.9=4...(7) HA LYS 14 - HE3 LYS 65 OK 26 63 - 42 - 1219/3.0=5, 1219/3.0=5...(19) HA LYS 26 - HE2 LYS 14 OK 23 100 - 23 - 1254/3.9=6, 1673/3.9=5...(8) HA LYS 26 - HE3 LYS 14 OK 23 100 - 23 - 1254/3.9=6, 1673/3.9=5...(8) HB2 SER 62 - HE2 LYS 14 OK 14 87 - 16 - 2791/7.4=4, 1254/3.9=3...(8) HB2 SER 62 - HE3 LYS 14 OK 14 86 - 16 - 2791/7.4=4, 1254/3.9=3...(8) HA3 GLY 61 - HE2 LYS 14 poor 8 71 - 12 - 5379/3.9=3, 4015/7.4=2 HA3 GLY 61 - HE3 LYS 14 poor 8 70 - 12 - 5379/3.9=3, 4015/7.4=2 HB THR 83 - HE2 LYS 14 lone 7 73 - 9 - 1254/3.9=1, 3517/3.9=1 HB THR 83 - HE3 LYS 14 lone 7 73 - 9 - 1254/3.9=1, 3517/3.9=1 HA LYS 91 - HE3 LYS 65 lone 3 63 - 5 - HA LYS 26 - HE3 LYS 65 lone 2 62 - 4 - HB2 SER 62 - HE3 LYS 65 lone 2 48 - 4 - 4.3/797=1 HA3 GLY 61 - HE3 LYS 65 lone 1 37 - 3 - HB THR 83 - HE3 LYS 65 lone 1 39 - 3 - Peak 1285 from cnoeabs.peaks (1.65, 2.91, 41.78 ppm; 3.86 A): 4 out of 30 assignments used, quality = 1.00: HB3 LYS 14 + HE2 LYS 14 OK 87 100 - 87 - 4.9=48, 3.0/1288=10...(30) * HB2 LYS 14 + HE2 LYS 14 OK 87 100 - 87 - 4.9=48, 3.0/1288=10...(30) HB3 LYS 14 + HE3 LYS 14 OK 87 100 - 87 - 4.9=48, 3.0/1288=10...(30) HB2 LYS 14 + HE3 LYS 14 OK 87 100 - 87 - 4.9=48, 3.0/1288=10...(30) HB3 LYS 14 - HE3 LYS 65 OK 29 63 - 47 - 3.0/1261=3, 1229/3.0=3...(34) HB2 LYS 14 - HE3 LYS 65 OK 29 63 - 47 - 3.0/1261=3, 1229/3.0=3...(34) HD2 LYS 91 - HE2 LYS 14 lone 6 98 - 6 - 1255/3.9=1 HD2 LYS 91 - HE3 LYS 14 lone 6 98 - 6 - 1255/3.9=1 HD3 LYS 91 - HE2 LYS 14 lone 5 97 - 6 - 1255/3.9=1 HD3 LYS 91 - HE3 LYS 14 lone 5 97 - 6 - 1255/3.9=1 HG2 ARG 28 - HE2 LYS 14 lone 2 93 - 2 - HG2 ARG 28 - HE3 LYS 14 lone 2 93 - 2 - HG3 ARG 28 - HE2 LYS 14 lone 2 90 - 2 - HG3 ARG 28 - HE3 LYS 14 lone 2 90 - 2 - HB3 LEU 73 - HE2 LYS 14 lone 2 71 - 3 - HB3 LEU 73 - HE3 LYS 14 lone 2 70 - 3 - HG LEU 73 - HE2 LYS 14 lone 2 63 - 3 - HG LEU 73 - HE3 LYS 14 lone 2 62 - 2 - HD2 LYS 31 - HE2 LYS 14 lone 1 71 - 1 - HD2 LYS 31 - HE3 LYS 14 lone 1 70 - 1 - HG2 ARG 28 - HE3 LYS 65 lone 1 54 - 2 - HD3 LYS 31 - HE2 LYS 14 lone 1 65 - 1 - HD3 LYS 31 - HE3 LYS 14 lone 1 65 - 1 - HB3 LEU 73 - HE3 LYS 65 lone 1 37 - 2 - HG3 ARG 28 - HE3 LYS 65 lone 1 51 - 2 - HD2 LYS 91 - HE3 LYS 65 lone 1 59 - 1 - HD3 LYS 91 - HE3 LYS 65 lone 1 58 - 1 - HG LEU 73 - HE3 LYS 65 lone 1 32 - 2 - HD2 LYS 31 - HE3 LYS 65 lone 0 37 - 1 - HD3 LYS 31 - HE3 LYS 65 lone 0 34 - 1 - Peak 1286 from cnoeabs.peaks (1.65, 2.91, 41.78 ppm; 3.86 A): 4 out of 30 assignments used, quality = 1.00: * HB3 LYS 14 + HE2 LYS 14 OK 87 100 - 87 - 4.9=48, 3.0/1288=10...(30) HB2 LYS 14 + HE2 LYS 14 OK 87 100 - 87 - 4.9=48, 3.0/1288=10...(30) HB3 LYS 14 + HE3 LYS 14 OK 87 100 - 87 - 4.9=48, 3.0/1288=10...(30) HB2 LYS 14 + HE3 LYS 14 OK 87 100 - 87 - 4.9=48, 3.0/1288=10...(30) HB3 LYS 14 - HE3 LYS 65 OK 29 63 - 47 - 3.0/1261=3, 1229/3.0=3...(34) HB2 LYS 14 - HE3 LYS 65 OK 29 63 - 47 - 3.0/1261=3, 1229/3.0=3...(34) HD2 LYS 91 - HE2 LYS 14 lone 6 98 - 6 - 1255/3.9=1 HD2 LYS 91 - HE3 LYS 14 lone 6 98 - 6 - 1255/3.9=1 HD3 LYS 91 - HE2 LYS 14 lone 5 97 - 6 - 1255/3.9=1 HD3 LYS 91 - HE3 LYS 14 lone 5 97 - 6 - 1255/3.9=1 HG2 ARG 28 - HE2 LYS 14 lone 2 93 - 2 - HG2 ARG 28 - HE3 LYS 14 lone 2 93 - 2 - HG3 ARG 28 - HE2 LYS 14 lone 2 90 - 2 - HG3 ARG 28 - HE3 LYS 14 lone 2 90 - 2 - HB3 LEU 73 - HE2 LYS 14 lone 2 71 - 3 - HB3 LEU 73 - HE3 LYS 14 lone 2 70 - 3 - HG LEU 73 - HE2 LYS 14 lone 2 63 - 3 - HG LEU 73 - HE3 LYS 14 lone 2 62 - 2 - HD2 LYS 31 - HE2 LYS 14 lone 1 71 - 1 - HD2 LYS 31 - HE3 LYS 14 lone 1 70 - 1 - HG2 ARG 28 - HE3 LYS 65 lone 1 54 - 2 - HD3 LYS 31 - HE2 LYS 14 lone 1 65 - 1 - HD3 LYS 31 - HE3 LYS 14 lone 1 65 - 1 - HB3 LEU 73 - HE3 LYS 65 lone 1 37 - 2 - HG3 ARG 28 - HE3 LYS 65 lone 1 51 - 2 - HD2 LYS 91 - HE3 LYS 65 lone 1 59 - 1 - HD3 LYS 91 - HE3 LYS 65 lone 1 58 - 1 - HG LEU 73 - HE3 LYS 65 lone 1 32 - 2 - HD2 LYS 31 - HE3 LYS 65 lone 0 37 - 1 - HD3 LYS 31 - HE3 LYS 65 lone 0 34 - 1 - Peak 1287 from cnoeabs.peaks (1.20, 2.91, 41.78 ppm; 3.58 A): 2 out of 27 assignments used, quality = 0.99: * HG2 LYS 14 + HE2 LYS 14 OK 92 100 - 92 - 3.9=74, 1.8/1288=12...(41) HG2 LYS 14 + HE3 LYS 14 OK 91 100 - 91 - 3.9=74, 1.8/1288=11...(37) HG2 LYS 14 - HE3 LYS 65 OK 26 63 - 42 - 1.8/1261=4, 1252=3...(13) HG3 LYS 26 - HE2 LYS 14 OK 17 100 - 17 - 1257/3.9=4, 1251=2...(9) HG3 LYS 26 - HE3 LYS 14 OK 17 100 - 17 - 1257/3.9=4, 1251=2...(9) HD2 LYS 68 - HE3 LYS 65 poor 7 39 - 17 - 5555/5.8=2, ~5557=1...(5) HD3 LYS 68 - HE3 LYS 65 poor 6 37 - 17 - 5555/5.8=2, ~5557=1...(5) HD2 LYS 68 - HE2 LYS 14 lone 6 73 - 8 - HD2 LYS 68 - HE3 LYS 14 lone 6 73 - 8 - HD3 LYS 68 - HE2 LYS 14 lone 6 71 - 8 - HD3 LYS 68 - HE3 LYS 14 lone 6 70 - 8 - HG3 LYS 44 - HE2 LYS 14 lone 4 73 - 6 - 1257/3.9=1 HG3 LYS 44 - HE3 LYS 14 lone 4 73 - 6 - 1257/3.9=1 QG2 THR 83 - HE2 LYS 14 lone 4 97 - 4 - QG2 THR 83 - HE3 LYS 14 lone 4 96 - 4 - HG3 LYS 44 - HE3 LYS 65 lone 2 39 - 6 - QD1 LEU 34 - HE2 LYS 14 lone 2 92 - 2 - QD1 LEU 34 - HE3 LYS 14 lone 2 91 - 2 - HG3 LYS 26 - HE3 LYS 65 lone 1 62 - 2 - QD1 LEU 34 - HE3 LYS 65 lone 1 52 - 2 - HG13 ILE 35 - HE2 LYS 14 lone 1 63 - 1 - HG13 ILE 35 - HE3 LYS 14 lone 1 62 - 1 - HG2 ARG 45 - HE2 LYS 14 lone 1 60 - 1 - HG2 ARG 45 - HE3 LYS 14 lone 1 60 - 1 - QG2 THR 83 - HE3 LYS 65 lone 1 57 - 1 - HG2 ARG 45 - HE3 LYS 65 lone 0 31 - 1 - HG13 ILE 35 - HE3 LYS 65 lone 0 32 - 1 - Peak 1288 from cnoeabs.peaks (1.10, 2.91, 41.78 ppm; 3.84 A): 2 out of 12 assignments used, quality = 1.00: * HG3 LYS 14 + HE2 LYS 14 OK 98 100 - 98 - 3.9=92, 1.8/1287=12...(41) HG3 LYS 14 + HE3 LYS 14 OK 98 100 - 98 - 3.9=92, 1.8/1287=12...(37) HG3 LYS 14 - HE3 LYS 65 OK 29 63 - 47 - 1259/3.0=5, 1260/3.0=5...(20) QG1 VAL 66 - HE2 LYS 14 OK 13 87 - 15 - 2.1/6097=2, ~6097=2...(10) QG1 VAL 66 - HE3 LYS 14 OK 13 86 - 15 - ~6097=2, 2.1/6097=2...(9) QG2 THR 13 - HE2 LYS 14 lone 7 100 - 7 - 1248/3.9=1 QG2 THR 13 - HE3 LYS 14 lone 7 100 - 7 - 1248/3.9=1 QG1 VAL 66 - HE3 LYS 65 poor 6 48 - 13 - ~6093=2, 4.0/309=2...(7) QG2 THR 13 - HE3 LYS 65 lone 3 62 - 4 - QG2 THR 38 - HE2 LYS 14 lone 2 85 - 2 - QG2 THR 38 - HE3 LYS 14 lone 2 84 - 2 - QG2 THR 38 - HE3 LYS 65 lone 1 47 - 2 - Peak 1289 from cnoeabs.peaks (1.58, 2.91, 41.78 ppm; 2.77 A): 6 out of 33 assignments used, quality = 1.00: * HD2 LYS 14 + HE2 LYS 14 OK 88 100 - 88 - 3.0=80, 3.0/1288=5...(20) HD3 LYS 14 + HE2 LYS 14 OK 88 100 - 88 - 3.0=80, 3.0/1288=5...(20) HD2 LYS 14 + HE3 LYS 14 OK 88 100 - 88 - 3.0=80, 3.0/1288=5...(18) HD3 LYS 14 + HE3 LYS 14 OK 88 100 - 88 - 3.0=80, 3.0/1288=5...(18) HD3 LYS 65 + HE3 LYS 65 OK 56 62 - 90 - 3.0=82, 2975/1.8=5...(26) HD2 LYS 65 + HE3 LYS 65 OK 55 61 - 90 - 3.0=82, 2965/1.8=4...(26) HD3 LYS 65 - HE2 LYS 14 OK 29 100 - 29 - 1271=2, 1259/3.9=2...(5) HD2 LYS 65 - HE2 LYS 14 OK 29 99 - 29 - 1281=2, 1260/3.9=2...(5) HD3 LYS 65 - HE3 LYS 14 OK 25 100 - 26 - 1259/3.9=2, 1271=2...(5) HD2 LYS 65 - HE3 LYS 14 OK 25 99 - 26 - 1260/3.9=2, 1281=2...(5) HD2 LYS 14 - HE3 LYS 65 OK 14 63 - 23 - 2943/3.8=2, 2953/3.8=2...(7) HD3 LYS 14 - HE3 LYS 65 OK 14 63 - 23 - 2943/3.8=2, 2953/3.8=2...(7) HB2 LYS 68 - HE3 LYS 65 poor 5 47 - 12 - 4177/5.8=2 HB2 LEU 12 - HE3 LYS 65 lone 5 52 - 9 - 1170/3.8=1, ~1175=1 HB2 LYS 68 - HE2 LYS 14 lone 3 85 - 4 - HB2 LYS 68 - HE3 LYS 14 lone 3 84 - 4 - HB2 LEU 12 - HE2 LYS 14 lone 3 92 - 3 - HB2 LEU 12 - HE3 LYS 14 lone 3 91 - 3 - HB3 LEU 85 - HE3 LYS 65 lone 1 60 - 2 - HB2 LEU 87 - HE3 LYS 65 lone 1 52 - 2 - HB3 LEU 85 - HE3 LYS 14 lone 1 99 - 1 - HB3 LEU 85 - HE2 LYS 14 lone 1 99 - 1 - HB2 LEU 87 - HE2 LYS 14 lone 1 92 - 1 - HB2 LEU 87 - HE3 LYS 14 lone 1 91 - 1 - HG LEU 23 - HE3 LYS 65 lone 1 34 - 2 - HG LEU 85 - HE3 LYS 14 lone 1 80 - 1 - HG LEU 85 - HE2 LYS 14 lone 1 81 - 1 - HG LEU 23 - HE2 LYS 14 lone 1 65 - 1 - HG LEU 23 - HE3 LYS 14 lone 0 65 - 1 - HG LEU 85 - HE3 LYS 65 lone 0 44 - 1 - HG LEU 87 - HE3 LYS 14 lone 0 68 - 1 - HG LEU 87 - HE2 LYS 14 lone 0 68 - 1 - HG LEU 87 - HE3 LYS 65 lone 0 36 - 1 - Peak 1290 from cnoeabs.peaks (1.58, 2.91, 41.78 ppm; 2.79 A): 6 out of 33 assignments used, quality = 1.00: HD2 LYS 14 + HE2 LYS 14 OK 89 100 - 89 - 3.0=82, 3.0/1288=5...(20) * HD3 LYS 14 + HE2 LYS 14 OK 89 100 - 89 - 3.0=82, 3.0/1288=5...(20) HD3 LYS 14 + HE3 LYS 14 OK 89 100 - 89 - 3.0=82, 3.0/1288=5...(18) HD2 LYS 14 + HE3 LYS 14 OK 89 100 - 89 - 3.0=82, 3.0/1288=5...(18) HD3 LYS 65 + HE3 LYS 65 OK 57 63 - 91 - 3.0=84, 2965/1.8=5...(26) HD2 LYS 65 + HE3 LYS 65 OK 56 62 - 91 - 3.0=84, 2965/1.8=5...(26) HD3 LYS 65 - HE2 LYS 14 OK 29 100 - 30 - 1271=2, 1259/3.9=2...(5) HD2 LYS 65 - HE2 LYS 14 OK 29 100 - 30 - 1281=2, 1260/3.9=2...(5) HD3 LYS 65 - HE3 LYS 14 OK 26 100 - 26 - 1259/3.9=2, 1271=2...(5) HD2 LYS 65 - HE3 LYS 14 OK 26 99 - 26 - 1260/3.9=2, 1281=2...(5) HD3 LYS 14 - HE3 LYS 65 OK 14 63 - 23 - 2943/3.8=2, 2953/3.8=2...(7) HD2 LYS 14 - HE3 LYS 65 OK 14 63 - 23 - 2943/3.8=2, 2953/3.8=2...(7) HB2 LYS 68 - HE3 LYS 65 poor 5 45 - 12 - 4177/5.8=2 HB2 LEU 12 - HE3 LYS 65 lone 5 51 - 9 - 1170/3.8=1, ~1175=1 HB2 LYS 68 - HE3 LYS 14 lone 3 82 - 4 - HB2 LYS 68 - HE2 LYS 14 lone 3 83 - 4 - HB2 LEU 12 - HE2 LYS 14 lone 3 90 - 3 - HB2 LEU 12 - HE3 LYS 14 lone 3 90 - 3 - HB3 LEU 85 - HE3 LYS 65 lone 1 60 - 2 - HB2 LEU 87 - HE3 LYS 65 lone 1 51 - 2 - HB3 LEU 85 - HE3 LYS 14 lone 1 98 - 1 - HB3 LEU 85 - HE2 LYS 14 lone 1 99 - 1 - HB2 LEU 87 - HE2 LYS 14 lone 1 90 - 1 - HB2 LEU 87 - HE3 LYS 14 lone 1 90 - 1 - HG LEU 85 - HE3 LYS 14 lone 1 78 - 1 - HG LEU 85 - HE2 LYS 14 lone 1 78 - 1 - HG LEU 23 - HE3 LYS 65 lone 1 32 - 2 - HG LEU 23 - HE2 LYS 14 lone 0 63 - 1 - HG LEU 23 - HE3 LYS 14 lone 0 62 - 1 - HG LEU 85 - HE3 LYS 65 lone 0 42 - 1 - HG LEU 87 - HE2 LYS 14 lone 0 65 - 1 - HG LEU 87 - HE3 LYS 14 lone 0 65 - 1 - HG LEU 87 - HE3 LYS 65 lone 0 34 - 1 - Peak 1291 from cnoeabs.peaks (2.91, 2.91, 41.78 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 14 + HE2 LYS 14 OK 100 100 - 100 HE3 LYS 14 + HE3 LYS 14 OK 100 100 - 100 HE3 LYS 65 - HE3 LYS 65 OK 32 32 - 100 Peak 1292 from cnoeabs.peaks (2.91, 2.91, 41.78 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 14 + HE3 LYS 14 OK 100 100 - 100 HE2 LYS 14 + HE2 LYS 14 OK 100 100 - 100 HE3 LYS 65 - HE3 LYS 65 OK 37 37 - 100 Reference assignment not found: HE3 LYS 14 - HE2 LYS 14 Peak 1294 from cnoeabs.peaks (4.10, 2.91, 41.78 ppm; 5.17 A): 2 out of 24 assignments used, quality = 0.99: * HA LYS 14 + HE3 LYS 14 OK 89 100 - 89 - 6.6=49, 4.0/1288=13...(23) HA LYS 14 + HE2 LYS 14 OK 89 100 - 89 - 6.6=49, 4.0/1288=13...(23) HA LYS 14 - HE3 LYS 65 OK 29 71 - 42 - 1219/3.0=5, 1219/3.0=5...(19) HA LYS 91 - HE2 LYS 14 OK 28 100 - 29 - 1218/3.9=6, 1217/3.9=4...(7) HA LYS 91 - HE3 LYS 14 OK 28 100 - 28 - 1218/3.9=6, 1217/3.9=4...(7) HA LYS 14 - HE2 LYS 65 OK 28 60 - 46 - 1219/3.0=5, 1219/3.0=5...(23) HA LYS 26 - HE3 LYS 14 OK 23 100 - 23 - 1254/3.9=6, 1673/3.9=5...(8) HA LYS 26 - HE2 LYS 14 OK 23 100 - 23 - 1254/3.9=6, 1673/3.9=5...(8) HB2 SER 62 - HE3 LYS 14 OK 14 87 - 16 - 2791/7.4=4, 1254/3.9=3...(8) HB2 SER 62 - HE2 LYS 14 OK 14 86 - 16 - 2791/7.4=4, 1254/3.9=3...(8) HA3 GLY 61 - HE3 LYS 14 poor 8 71 - 12 - 5379/3.9=3, 4015/7.4=2 HA3 GLY 61 - HE2 LYS 14 poor 8 70 - 12 - 5379/3.9=3, 4015/7.4=2 HB THR 83 - HE3 LYS 14 lone 7 73 - 9 - 1254/3.9=1, 3517/3.9=1 HB THR 83 - HE2 LYS 14 lone 7 73 - 9 - 1254/3.9=1, 3517/3.9=1 HA LYS 91 - HE3 LYS 65 lone 4 71 - 5 - HA LYS 91 - HE2 LYS 65 lone 3 60 - 5 - HA LYS 26 - HE3 LYS 65 lone 3 70 - 4 - HB2 SER 62 - HE3 LYS 65 lone 2 55 - 4 - 4.3/797=1 HA LYS 26 - HE2 LYS 65 lone 2 60 - 3 - HA3 GLY 61 - HE3 LYS 65 lone 1 43 - 3 - HB THR 83 - HE3 LYS 65 lone 1 45 - 3 - HB2 SER 62 - HE2 LYS 65 lone 1 46 - 2 - HA3 GLY 61 - HE2 LYS 65 lone 1 35 - 3 - HB THR 83 - HE2 LYS 65 lone 1 37 - 3 - Peak 1295 from cnoeabs.peaks (1.65, 2.91, 41.78 ppm; 3.86 A): 4 out of 40 assignments used, quality = 1.00: HB3 LYS 14 + HE3 LYS 14 OK 87 100 - 87 - 4.9=48, 3.0/1288=10...(30) * HB2 LYS 14 + HE3 LYS 14 OK 87 100 - 87 - 4.9=48, 3.0/1288=10...(30) HB3 LYS 14 + HE2 LYS 14 OK 87 100 - 87 - 4.9=48, 3.0/1288=10...(30) HB2 LYS 14 + HE2 LYS 14 OK 87 100 - 87 - 4.9=48, 3.0/1288=10...(30) HB3 LYS 14 - HE3 LYS 65 OK 33 71 - 47 - 3.0/1261=3, 1239/3.0=3...(34) HB2 LYS 14 - HE3 LYS 65 OK 33 71 - 47 - 3.0/1261=3, 1239/3.0=3...(34) HB3 LYS 14 - HE2 LYS 65 OK 31 60 - 53 - 3.0/1262=3, 1239/3.0=3...(40) HB2 LYS 14 - HE2 LYS 65 OK 31 60 - 53 - 3.0/1262=3, 1239/3.0=3...(40) HD2 LYS 91 - HE3 LYS 14 lone 6 98 - 6 - 1255/3.9=1 HD2 LYS 91 - HE2 LYS 14 lone 6 98 - 6 - 1255/3.9=1 HD3 LYS 91 - HE3 LYS 14 lone 6 97 - 6 - 1256/3.9=1 HD3 LYS 91 - HE2 LYS 14 lone 6 97 - 6 - 1255/3.9=1 HG2 ARG 28 - HE2 LYS 14 lone 2 93 - 2 - HG2 ARG 28 - HE3 LYS 14 lone 2 93 - 2 - HG3 ARG 28 - HE2 LYS 14 lone 2 90 - 2 - HG3 ARG 28 - HE3 LYS 14 lone 2 90 - 2 - HB3 LEU 73 - HE2 LYS 14 lone 2 70 - 3 - HB3 LEU 73 - HE3 LYS 14 lone 2 71 - 3 - HG LEU 73 - HE2 LYS 14 lone 2 62 - 3 - HG LEU 73 - HE3 LYS 14 lone 2 63 - 2 - HG2 ARG 28 - HE3 LYS 65 lone 1 61 - 2 - HB3 LEU 73 - HE3 LYS 65 lone 1 43 - 2 - HG3 ARG 28 - HE3 LYS 65 lone 1 58 - 2 - HD2 LYS 31 - HE3 LYS 14 lone 1 71 - 1 - HD2 LYS 31 - HE2 LYS 14 lone 1 70 - 1 - HD2 LYS 91 - HE3 LYS 65 lone 1 67 - 1 - HD3 LYS 91 - HE3 LYS 65 lone 1 66 - 1 - HD3 LYS 31 - HE3 LYS 14 lone 1 65 - 1 - HD3 LYS 31 - HE2 LYS 14 lone 1 65 - 1 - HG2 ARG 28 - HE2 LYS 65 lone 1 51 - 2 - HB3 LEU 73 - HE2 LYS 65 lone 1 35 - 2 - HG3 ARG 28 - HE2 LYS 65 lone 1 49 - 2 - HG LEU 73 - HE3 LYS 65 lone 1 37 - 2 - HD2 LYS 91 - HE2 LYS 65 lone 1 56 - 1 - HD3 LYS 91 - HE2 LYS 65 lone 1 55 - 1 - HG LEU 73 - HE2 LYS 65 lone 1 31 - 2 - HD2 LYS 31 - HE3 LYS 65 lone 0 43 - 1 - HD3 LYS 31 - HE3 LYS 65 lone 0 39 - 1 - HD2 LYS 31 - HE2 LYS 65 lone 0 35 - 1 - HD3 LYS 31 - HE2 LYS 65 lone 0 32 - 1 - Peak 1296 from cnoeabs.peaks (1.65, 2.91, 41.78 ppm; 3.86 A): 4 out of 40 assignments used, quality = 1.00: * HB3 LYS 14 + HE3 LYS 14 OK 87 100 - 87 - 4.9=48, 3.0/1288=10...(30) HB2 LYS 14 + HE3 LYS 14 OK 87 100 - 87 - 4.9=48, 3.0/1288=10...(30) HB3 LYS 14 + HE2 LYS 14 OK 87 100 - 87 - 4.9=48, 3.0/1288=10...(30) HB2 LYS 14 + HE2 LYS 14 OK 87 100 - 87 - 4.9=48, 3.0/1288=10...(30) HB3 LYS 14 - HE3 LYS 65 OK 33 71 - 47 - 3.0/1261=3, 1239/3.0=3...(34) HB2 LYS 14 - HE3 LYS 65 OK 33 71 - 47 - 3.0/1261=3, 1239/3.0=3...(34) HB3 LYS 14 - HE2 LYS 65 OK 31 60 - 53 - 3.0/1262=3, 1239/3.0=3...(40) HB2 LYS 14 - HE2 LYS 65 OK 31 60 - 53 - 3.0/1262=3, 1239/3.0=3...(40) HD2 LYS 91 - HE3 LYS 14 lone 6 98 - 6 - 1255/3.9=1 HD2 LYS 91 - HE2 LYS 14 lone 6 98 - 6 - 1255/3.9=1 HD3 LYS 91 - HE3 LYS 14 lone 6 97 - 6 - 1256/3.9=1 HD3 LYS 91 - HE2 LYS 14 lone 6 97 - 6 - 1255/3.9=1 HG2 ARG 28 - HE2 LYS 14 lone 2 93 - 2 - HG2 ARG 28 - HE3 LYS 14 lone 2 93 - 2 - HG3 ARG 28 - HE2 LYS 14 lone 2 90 - 2 - HG3 ARG 28 - HE3 LYS 14 lone 2 90 - 2 - HB3 LEU 73 - HE2 LYS 14 lone 2 70 - 3 - HB3 LEU 73 - HE3 LYS 14 lone 2 71 - 3 - HG LEU 73 - HE2 LYS 14 lone 2 62 - 3 - HG LEU 73 - HE3 LYS 14 lone 2 63 - 2 - HG2 ARG 28 - HE3 LYS 65 lone 1 61 - 2 - HB3 LEU 73 - HE3 LYS 65 lone 1 43 - 2 - HG3 ARG 28 - HE3 LYS 65 lone 1 58 - 2 - HD2 LYS 31 - HE3 LYS 14 lone 1 71 - 1 - HD2 LYS 31 - HE2 LYS 14 lone 1 70 - 1 - HD2 LYS 91 - HE3 LYS 65 lone 1 67 - 1 - HD3 LYS 91 - HE3 LYS 65 lone 1 66 - 1 - HD3 LYS 31 - HE3 LYS 14 lone 1 65 - 1 - HD3 LYS 31 - HE2 LYS 14 lone 1 65 - 1 - HG2 ARG 28 - HE2 LYS 65 lone 1 51 - 2 - HB3 LEU 73 - HE2 LYS 65 lone 1 35 - 2 - HG3 ARG 28 - HE2 LYS 65 lone 1 49 - 2 - HG LEU 73 - HE3 LYS 65 lone 1 37 - 2 - HD2 LYS 91 - HE2 LYS 65 lone 1 56 - 1 - HD3 LYS 91 - HE2 LYS 65 lone 1 55 - 1 - HG LEU 73 - HE2 LYS 65 lone 1 31 - 2 - HD2 LYS 31 - HE3 LYS 65 lone 0 43 - 1 - HD3 LYS 31 - HE3 LYS 65 lone 0 39 - 1 - HD2 LYS 31 - HE2 LYS 65 lone 0 35 - 1 - HD3 LYS 31 - HE2 LYS 65 lone 0 32 - 1 - Peak 1297 from cnoeabs.peaks (1.20, 2.91, 41.78 ppm; 3.58 A): 2 out of 36 assignments used, quality = 0.99: HG2 LYS 14 + HE2 LYS 14 OK 92 100 - 92 - 3.9=74, 1.8/1288=12...(41) * HG2 LYS 14 + HE3 LYS 14 OK 91 100 - 91 - 3.9=74, 1.8/1288=11...(37) HG2 LYS 14 - HE3 LYS 65 OK 30 71 - 42 - 1.8/1261=4, 1252=3...(13) HG2 LYS 14 - HE2 LYS 65 OK 28 60 - 48 - 1.8/1262=3, 1277/3.0=3...(17) HG3 LYS 26 - HE3 LYS 14 OK 17 100 - 17 - 1257/3.9=4, 1251=2...(9) HG3 LYS 26 - HE2 LYS 14 OK 17 100 - 17 - 1257/3.9=4, 1251=2...(9) HD2 LYS 68 - HE3 LYS 65 poor 8 45 - 18 - 5555/5.8=2, ~5557=1...(5) HD3 LYS 68 - HE3 LYS 65 poor 7 43 - 18 - 5555/5.8=2, ~5557=1...(5) HD2 LYS 68 - HE2 LYS 65 poor 6 37 - 17 - 5555/5.8=2, 1267/3.0=1 HD2 LYS 68 - HE2 LYS 14 lone 6 73 - 8 - HD2 LYS 68 - HE3 LYS 14 lone 6 73 - 8 - HD3 LYS 68 - HE2 LYS 65 poor 6 35 - 17 - 5555/5.8=2, 1267/3.0=1 HD3 LYS 68 - HE2 LYS 14 lone 6 70 - 8 - HD3 LYS 68 - HE3 LYS 14 lone 6 71 - 8 - HG3 LYS 44 - HE2 LYS 14 lone 4 73 - 6 - 1257/3.9=1 HG3 LYS 44 - HE3 LYS 14 lone 4 73 - 6 - 1257/3.9=1 QG2 THR 83 - HE3 LYS 14 lone 4 97 - 4 - QG2 THR 83 - HE2 LYS 14 lone 4 96 - 4 - HG3 LYS 44 - HE3 LYS 65 lone 3 45 - 6 - QD1 LEU 34 - HE2 LYS 14 lone 2 91 - 2 - HG3 LYS 44 - HE2 LYS 65 lone 2 37 - 6 - QD1 LEU 34 - HE3 LYS 14 lone 2 92 - 2 - HG3 LYS 26 - HE3 LYS 65 lone 2 70 - 2 - QD1 LEU 34 - HE3 LYS 65 lone 1 60 - 2 - HG3 LYS 26 - HE2 LYS 65 lone 1 59 - 2 - QD1 LEU 34 - HE2 LYS 65 lone 1 50 - 2 - QG2 THR 83 - HE3 LYS 65 lone 1 65 - 1 - HG13 ILE 35 - HE3 LYS 14 lone 1 63 - 1 - HG13 ILE 35 - HE2 LYS 14 lone 1 62 - 1 - HG2 ARG 45 - HE2 LYS 14 lone 1 60 - 1 - HG2 ARG 45 - HE3 LYS 14 lone 1 60 - 1 - QG2 THR 83 - HE2 LYS 65 lone 1 54 - 1 - HG2 ARG 45 - HE3 LYS 65 lone 1 35 - 1 - HG2 ARG 45 - HE2 LYS 65 lone 0 29 - 1 - HG13 ILE 35 - HE3 LYS 65 lone 0 37 - 1 - HG13 ILE 35 - HE2 LYS 65 lone 0 31 - 1 - Peak 1298 from cnoeabs.peaks (1.10, 2.91, 41.78 ppm; 3.84 A): 2 out of 16 assignments used, quality = 1.00: HG3 LYS 14 + HE2 LYS 14 OK 98 100 - 98 - 3.9=92, 1.8/1287=12...(41) * HG3 LYS 14 + HE3 LYS 14 OK 98 100 - 98 - 3.9=92, 1.8/1287=12...(37) HG3 LYS 14 - HE3 LYS 65 OK 33 71 - 47 - 1259/3.0=5, 1260/3.0=5...(20) HG3 LYS 14 - HE2 LYS 65 OK 31 60 - 52 - 1259/3.0=5, 1260/3.0=5...(26) QG1 VAL 66 - HE3 LYS 14 OK 13 87 - 15 - ~6097=2, 2.1/6097=1...(9) QG1 VAL 66 - HE2 LYS 14 OK 13 86 - 15 - ~6097=2, 2.1/6097=2...(10) QG1 VAL 66 - HE3 LYS 65 poor 8 55 - 14 - ~6093=2, 4.0/309=2...(8) QG2 THR 13 - HE3 LYS 14 lone 7 100 - 7 - 1248/3.9=1 QG2 THR 13 - HE2 LYS 14 lone 7 100 - 7 - 1248/3.9=1 QG1 VAL 66 - HE2 LYS 65 poor 6 46 - 14 - 4.0/309=2, ~6093=2...(8) QG2 THR 13 - HE3 LYS 65 lone 3 70 - 5 - QG2 THR 13 - HE2 LYS 65 lone 3 59 - 4 - QG2 THR 38 - HE3 LYS 14 lone 2 85 - 2 - QG2 THR 38 - HE2 LYS 14 lone 2 84 - 2 - QG2 THR 38 - HE3 LYS 65 lone 1 53 - 2 - QG2 THR 38 - HE2 LYS 65 lone 1 45 - 2 - Peak 1299 from cnoeabs.peaks (1.58, 2.91, 41.78 ppm; 2.77 A): 8 out of 44 assignments used, quality = 1.00: HD2 LYS 14 + HE2 LYS 14 OK 88 100 - 88 - 3.0=80, 3.0/1288=5...(20) HD3 LYS 14 + HE2 LYS 14 OK 88 100 - 88 - 3.0=80, 3.0/1288=5...(20) * HD2 LYS 14 + HE3 LYS 14 OK 88 100 - 88 - 3.0=80, 3.0/1288=5...(18) HD3 LYS 14 + HE3 LYS 14 OK 88 100 - 88 - 3.0=80, 3.0/1288=5...(18) HD3 LYS 65 + HE3 LYS 65 OK 63 70 - 90 - 3.0=82, 2975/1.8=5...(26) HD2 LYS 65 + HE3 LYS 65 OK 62 69 - 90 - 3.0=82, 2965/1.8=4...(26) HD3 LYS 65 + HE2 LYS 65 OK 54 60 - 90 - 3.0=82, 2975/1.8=4...(27) HD2 LYS 65 + HE2 LYS 65 OK 53 58 - 90 - 3.0=82, 2965/1.8=4...(27) HD3 LYS 65 - HE2 LYS 14 OK 29 100 - 29 - 1271=2, 1259/3.9=2...(6) HD2 LYS 65 - HE2 LYS 14 OK 29 99 - 29 - 1281=2, 1260/3.9=2...(6) HD3 LYS 65 - HE3 LYS 14 OK 26 100 - 26 - 1259/3.9=2, 1271=2...(6) HD2 LYS 65 - HE3 LYS 14 OK 26 99 - 26 - 1260/3.9=2, 1281=2...(6) HD2 LYS 14 - HE3 LYS 65 OK 16 71 - 23 - 2943/3.8=2, 2953/3.8=2...(7) HD3 LYS 14 - HE3 LYS 65 OK 16 71 - 23 - 2943/3.8=2, 2953/3.8=2...(7) HD2 LYS 14 - HE2 LYS 65 OK 15 60 - 25 - 2943/3.8=2, 2953/3.8=2...(7) HD3 LYS 14 - HE2 LYS 65 OK 15 60 - 25 - 2943/3.8=2, 2953/3.8=2...(7) HB2 LYS 68 - HE3 LYS 65 poor 6 53 - 12 - 4177/5.8=2 HB2 LEU 12 - HE3 LYS 65 lone 6 60 - 10 - 1170/3.8=1, ~1175=1 HB2 LYS 68 - HE2 LYS 65 poor 5 45 - 12 - 4177/5.8=2 HB2 LEU 12 - HE2 LYS 65 lone 4 50 - 9 - 1170/3.8=1, ~1175=1 HB2 LYS 68 - HE2 LYS 14 lone 3 84 - 4 - HB2 LYS 68 - HE3 LYS 14 lone 3 85 - 4 - HB2 LEU 12 - HE2 LYS 14 lone 3 91 - 3 - HB2 LEU 12 - HE3 LYS 14 lone 3 92 - 3 - HB3 LEU 85 - HE3 LYS 65 lone 1 68 - 2 - HB2 LEU 87 - HE3 LYS 65 lone 1 60 - 2 - HB3 LEU 85 - HE2 LYS 65 lone 1 58 - 2 - HB2 LEU 87 - HE2 LYS 65 lone 1 50 - 2 - HB3 LEU 85 - HE3 LYS 14 lone 1 99 - 1 - HB3 LEU 85 - HE2 LYS 14 lone 1 99 - 1 - HB2 LEU 87 - HE3 LYS 14 lone 1 92 - 1 - HB2 LEU 87 - HE2 LYS 14 lone 1 91 - 1 - HG LEU 23 - HE3 LYS 65 lone 1 39 - 2 - HG LEU 85 - HE3 LYS 14 lone 1 81 - 1 - HG LEU 85 - HE2 LYS 14 lone 1 80 - 1 - HG LEU 23 - HE2 LYS 65 lone 1 32 - 2 - HG LEU 85 - HE3 LYS 65 lone 1 50 - 1 - HG LEU 87 - HE3 LYS 65 lone 1 41 - 1 - HG LEU 23 - HE3 LYS 14 lone 1 65 - 1 - HG LEU 23 - HE2 LYS 14 lone 1 65 - 1 - HG LEU 87 - HE3 LYS 14 lone 0 68 - 1 - HG LEU 87 - HE2 LYS 14 lone 0 68 - 1 - HG LEU 85 - HE2 LYS 65 lone 0 42 - 1 - HG LEU 87 - HE2 LYS 65 lone 0 34 - 1 - Peak 1300 from cnoeabs.peaks (1.58, 2.91, 41.78 ppm; 2.79 A): 8 out of 44 assignments used, quality = 1.00: HD3 LYS 14 + HE2 LYS 14 OK 89 100 - 89 - 3.0=82, 3.0/1288=5...(20) HD2 LYS 14 + HE2 LYS 14 OK 89 100 - 89 - 3.0=82, 3.0/1288=5...(20) * HD3 LYS 14 + HE3 LYS 14 OK 89 100 - 89 - 3.0=82, 3.0/1288=5...(18) HD2 LYS 14 + HE3 LYS 14 OK 89 100 - 89 - 3.0=82, 3.0/1288=5...(18) HD3 LYS 65 + HE3 LYS 65 OK 64 71 - 91 - 3.0=84, 2965/1.8=5...(26) HD2 LYS 65 + HE3 LYS 65 OK 63 70 - 91 - 3.0=84, 2965/1.8=5...(26) HD3 LYS 65 + HE2 LYS 65 OK 55 60 - 91 - 3.0=84, 2975/1.8=5...(28) HD2 LYS 65 + HE2 LYS 65 OK 54 59 - 91 - 3.0=84, 2965/1.8=5...(28) HD3 LYS 65 - HE2 LYS 14 OK 30 100 - 30 - 1271=2, 1259/3.9=2...(6) HD2 LYS 65 - HE2 LYS 14 OK 29 99 - 30 - 1281=2, 1260/3.9=2...(6) HD3 LYS 65 - HE3 LYS 14 OK 26 100 - 26 - 1259/3.9=2, 1271=2...(6) HD2 LYS 65 - HE3 LYS 14 OK 26 100 - 26 - 1260/3.9=2, 1281=2...(6) HD3 LYS 14 - HE3 LYS 65 OK 16 71 - 23 - 2943/3.8=2, 2953/3.8=2...(7) HD2 LYS 14 - HE3 LYS 65 OK 16 71 - 23 - 2943/3.8=2, 2953/3.8=2...(7) HD3 LYS 14 - HE2 LYS 65 OK 15 60 - 26 - 2943/3.8=2, 2953/3.8=2...(8) HD2 LYS 14 - HE2 LYS 65 OK 15 60 - 26 - 2943/3.8=2, 2953/3.8=2...(8) HB2 LYS 68 - HE3 LYS 65 poor 6 52 - 12 - 4177/5.8=2 HB2 LEU 12 - HE3 LYS 65 lone 6 58 - 10 - 1170/3.8=1, ~1175=1 HB2 LYS 68 - HE2 LYS 65 poor 5 43 - 12 - 4177/5.8=2 HB2 LEU 12 - HE2 LYS 65 lone 4 49 - 9 - 1170/3.8=1, ~1175=1 HB2 LYS 68 - HE2 LYS 14 lone 3 82 - 4 - HB2 LYS 68 - HE3 LYS 14 lone 3 83 - 4 - HB2 LEU 12 - HE2 LYS 14 lone 3 90 - 3 - HB2 LEU 12 - HE3 LYS 14 lone 3 90 - 3 - HB3 LEU 85 - HE3 LYS 65 lone 1 68 - 2 - HB2 LEU 87 - HE3 LYS 65 lone 1 58 - 2 - HB3 LEU 85 - HE2 LYS 65 lone 1 57 - 2 - HB2 LEU 87 - HE2 LYS 65 lone 1 49 - 2 - HB3 LEU 85 - HE3 LYS 14 lone 1 99 - 1 - HB3 LEU 85 - HE2 LYS 14 lone 1 98 - 1 - HB2 LEU 87 - HE3 LYS 14 lone 1 90 - 1 - HB2 LEU 87 - HE2 LYS 14 lone 1 90 - 1 - HG LEU 23 - HE3 LYS 65 lone 1 37 - 2 - HG LEU 85 - HE3 LYS 14 lone 1 78 - 1 - HG LEU 85 - HE2 LYS 14 lone 1 78 - 1 - HG LEU 85 - HE3 LYS 65 lone 1 48 - 1 - HG LEU 23 - HE2 LYS 65 lone 1 31 - 2 - HG LEU 23 - HE3 LYS 14 lone 1 63 - 1 - HG LEU 23 - HE2 LYS 14 lone 1 62 - 1 - HG LEU 87 - HE3 LYS 65 lone 1 39 - 1 - HG LEU 87 - HE3 LYS 14 lone 0 65 - 1 - HG LEU 87 - HE2 LYS 14 lone 0 65 - 1 - HG LEU 85 - HE2 LYS 65 lone 0 40 - 1 - HG LEU 87 - HE2 LYS 65 lone 0 32 - 1 - Peak 1301 from cnoeabs.peaks (2.91, 2.91, 41.78 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 14 + HE3 LYS 14 OK 100 100 - 100 HE2 LYS 14 + HE2 LYS 14 OK 100 100 - 100 HE3 LYS 65 - HE3 LYS 65 OK 37 37 - 100 Reference assignment not found: HE2 LYS 14 - HE3 LYS 14 Peak 1302 from cnoeabs.peaks (2.91, 2.91, 41.78 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 14 + HE3 LYS 14 OK 100 100 - 100 HE2 LYS 14 + HE2 LYS 14 OK 100 100 - 100 HE3 LYS 65 - HE3 LYS 65 OK 43 43 - 100 HE2 LYS 65 - HE2 LYS 65 OK 29 29 - 100 Peak 1303 from cnoeabs.peaks (7.93, 4.72, 55.05 ppm; 5.06 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 15 + HA HIS 15 OK 100 100 - 100 - 3.0=100 HD21 ASN 18 - HA HIS 15 OK 13 96 - 13 - 1308/3.0=4, 1313/3.0=4, 34/3.6=3 Peak 1304 from cnoeabs.peaks (4.72, 4.72, 55.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 15 + HA HIS 15 OK 100 100 - 100 Peak 1305 from cnoeabs.peaks (3.33, 4.72, 55.05 ppm; 4.64 A): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 15 + HA HIS 15 OK 100 100 - 100 - 3.0=100 HB3 TYR 70 + HA HIS 15 OK 62 99 - 62 - 1315/3.0=13, ~3128=10...(15) Peak 1306 from cnoeabs.peaks (2.96, 4.72, 55.05 ppm; 6.20 A): 2 out of 8 assignments used, quality = 1.00: * HB3 HIS 15 + HA HIS 15 OK 100 100 - 100 - 3.0=100 HB2 TYR 70 + HA HIS 15 OK 65 83 - 79 - 1.8/1305=19, ~4579=13...(15) HE2 LYS 91 - HA HIS 15 OK 16 100 - 16 - 1321/4.7=3, 545/3.0=3...(5) HE3 LYS 91 - HA HIS 15 OK 16 100 - 16 - 1321/4.7=3, 545/3.0=3...(5) HD3 ARG 45 - HA HIS 15 OK 12 97 - 12 - 545/3.0=2, 37/3.6=1, ~545=1 HD2 ARG 45 - HA HIS 15 OK 12 97 - 12 - 545/3.0=2, 37/3.6=1, ~545=1 HE2 LYS 31 - HA HIS 15 lone 10 100 - 10 - 545/3.0=1, 37/3.6=1, ~545=1 HE3 LYS 31 - HA HIS 15 lone 10 100 - 10 - 545/3.0=1, 37/3.6=1, ~545=1 Peak 1307 from cnoeabs.peaks (7.16, 4.72, 55.05 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.97: * HD2 HIS 15 + HA HIS 15 OK 97 100 - 97 - 4.7=97, 1320/1305=1 QD PHE 57 - HA HIS 15 lone 6 98 - 6 - 1312/3.0=3, 1317/3.0=2 Peak 1308 from cnoeabs.peaks (7.93, 3.33, 29.33 ppm; 5.66 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 15 + HB2 HIS 15 OK 100 100 - 100 - 3.8=100 HD21 ASN 18 - HB2 HIS 15 OK 15 96 - 15 - 1313/1.8=5, 1303/3.0=5, 34/4.5=4 Peak 1309 from cnoeabs.peaks (4.72, 3.33, 29.33 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 15 + HB2 HIS 15 OK 100 100 - 100 - 3.0=100 HA SER 62 - HB2 HIS 15 OK 19 97 - 19 - 1314/1.8=6, 543/3.8=4...(7) Peak 1310 from cnoeabs.peaks (3.33, 3.33, 29.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 15 + HB2 HIS 15 OK 100 100 - 100 Peak 1311 from cnoeabs.peaks (2.96, 3.33, 29.33 ppm; 2.70 A): 1 out of 8 assignments used, quality = 1.00: * HB3 HIS 15 + HB2 HIS 15 OK 100 100 - 100 - 1.8=100 HB2 TYR 70 - HB2 HIS 15 OK 34 83 - 41 - 3128=10, 2.5/4579=6...(16) HE2 LYS 91 - HB2 HIS 15 lone 3 100 - 3 - HE3 LYS 91 - HB2 HIS 15 lone 3 100 - 3 - HD3 ARG 45 - HB2 HIS 15 lone 3 97 - 3 - HD2 ARG 45 - HB2 HIS 15 lone 3 97 - 3 - HE3 LYS 31 - HB2 HIS 15 lone 2 100 - 2 - HE2 LYS 31 - HB2 HIS 15 lone 2 100 - 2 - Peak 1312 from cnoeabs.peaks (7.16, 3.33, 29.33 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: * HD2 HIS 15 + HB2 HIS 15 OK 100 100 - 100 - 4.0=100 QD PHE 57 - HB2 HIS 15 lone 9 98 - 9 - 1317/1.8=2, 1307/3.0=2 Peak 1313 from cnoeabs.peaks (7.93, 2.96, 29.33 ppm; 5.51 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 15 + HB3 HIS 15 OK 100 100 - 100 - 3.8=100 HD21 ASN 18 - HB3 HIS 15 OK 14 96 - 15 - 1308/1.8=5, 1303/3.0=4, 34/4.5=4 Peak 1314 from cnoeabs.peaks (4.72, 2.96, 29.33 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 15 + HB3 HIS 15 OK 100 100 - 100 - 3.0=100 HA SER 62 - HB3 HIS 15 OK 22 97 - 22 - 1309/1.8=7, 543/3.8=5...(7) Peak 1315 from cnoeabs.peaks (3.33, 2.96, 29.33 ppm; 2.74 A): 1 out of 2 assignments used, quality = 1.00: * HB2 HIS 15 + HB3 HIS 15 OK 100 100 - 100 - 1.8=100 HB3 TYR 70 - HB3 HIS 15 OK 38 99 - 39 - 3133=8, ~3128=5, ~1311=4...(16) Peak 1316 from cnoeabs.peaks (2.96, 2.96, 29.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 15 + HB3 HIS 15 OK 100 100 - 100 Peak 1317 from cnoeabs.peaks (7.16, 2.96, 29.33 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HD2 HIS 15 + HB3 HIS 15 OK 100 100 - 100 - 4.0=100 QD PHE 57 - HB3 HIS 15 lone 6 98 - 6 - 1312/1.8=3, 1307/3.0=2 Peak 1319 from cnoeabs.peaks (4.72, 7.16, 119.63 ppm; 4.59 A): 2 out of 2 assignments used, quality = 0.93: * HA HIS 15 + HD2 HIS 15 OK 92 100 - 92 - 4.7=92 HA SER 62 + HD2 HIS 15 OK 16 97 - 16 - 1314/4.0=6, 1309/4.0=5 Peak 1320 from cnoeabs.peaks (3.33, 7.16, 119.63 ppm; 5.28 A): 1 out of 2 assignments used, quality = 1.00: * HB2 HIS 15 + HD2 HIS 15 OK 100 100 - 100 - 4.0=100 HB3 TYR 70 - HD2 HIS 15 OK 34 99 - 35 - 1315/4.0=13, 1305/4.7=11...(5) Peak 1321 from cnoeabs.peaks (2.96, 7.16, 119.63 ppm; 4.94 A): 1 out of 8 assignments used, quality = 1.00: * HB3 HIS 15 + HD2 HIS 15 OK 100 100 - 100 - 4.0=100 HB2 TYR 70 - HD2 HIS 15 OK 23 83 - 27 - 3128/4.0=11, 1.8/4533=9...(4) HE2 LYS 91 - HD2 HIS 15 OK 16 100 - 17 - 3.0/4297=6, 3.0/4297=6...(4) HE3 LYS 91 - HD2 HIS 15 OK 16 100 - 17 - 3.0/4297=6, 3.0/4297=6...(4) HE2 LYS 31 - HD2 HIS 15 lone 4 100 - 4 - HE3 LYS 31 - HD2 HIS 15 lone 4 100 - 4 - HD2 ARG 45 - HD2 HIS 15 lone 4 97 - 4 - HD3 ARG 45 - HD2 HIS 15 lone 4 97 - 4 - Peak 1322 from cnoeabs.peaks (7.16, 7.16, 119.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 15 + HD2 HIS 15 OK 100 100 - 100 Peak 1323 from cnoeabs.peaks (8.29, 3.67, 45.70 ppm; 3.90 A): 1 out of 7 assignments used, quality = 1.00: * H GLY 16 + HA2 GLY 16 OK 100 100 - 100 - 3.0=100 H LEU 85 - HA2 GLY 16 OK 29 87 - 34 - 403=8, 3.6/3542=8...(8) H LYS 64 - HA2 GLY 16 OK 11 100 - 11 - 1326/1.8=3, 4.0/4304=3...(4) H ALA 60 - HA2 GLY 16 lone 8 83 - 9 - 1326/1.8=3, 39/3.6=2 H VAL 66 - HA2 GLY 16 lone 3 63 - 4 - 39/3.6=1, 1326/1.8=1 H GLU 77 - HA2 GLY 16 lone 2 65 - 3 - H GLU 37 - HA2 GLY 16 lone 2 63 - 3 - Peak 1324 from cnoeabs.peaks (3.67, 3.67, 45.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 16 + HA2 GLY 16 OK 100 100 - 100 Peak 1325 from cnoeabs.peaks (3.97, 3.67, 45.70 ppm; 2.68 A): 1 out of 6 assignments used, quality = 1.00: * HA3 GLY 16 + HA2 GLY 16 OK 100 100 - 100 - 1.8=100 HA PRO 19 - HA2 GLY 16 lone 8 92 - 8 - 3.5/3819=2, 3832/3.6=2 HB3 SER 62 - HA2 GLY 16 lone 3 89 - 4 - 549/3.0=1 HA ALA 71 - HA2 GLY 16 lone 3 99 - 3 - 549/3.0=1 HA ALA 72 - HA2 GLY 16 lone 3 97 - 3 - HA GLU 25 - HA2 GLY 16 lone 2 100 - 2 - Peak 1326 from cnoeabs.peaks (8.29, 3.97, 45.70 ppm; 3.94 A): 1 out of 7 assignments used, quality = 1.00: * H GLY 16 + HA3 GLY 16 OK 100 100 - 100 - 3.0=100 H LEU 85 - HA3 GLY 16 OK 13 87 - 15 - 403/1.8=8, 39/3.6=2, 4.0/4308=2 H LYS 64 - HA3 GLY 16 OK 12 100 - 12 - 1323/1.8=3, 4.0/4309=3...(5) H ALA 60 - HA3 GLY 16 poor 10 83 - 12 - 3.5/6045=3, 39/3.6=2...(4) H VAL 66 - HA3 GLY 16 lone 5 63 - 7 - 4.4/4307=2, 39/3.6=1 H GLU 77 - HA3 GLY 16 lone 4 65 - 5 - H GLU 37 - HA3 GLY 16 lone 1 63 - 2 - Peak 1327 from cnoeabs.peaks (3.67, 3.97, 45.70 ppm; 2.67 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 16 + HA3 GLY 16 OK 100 100 - 100 - 1.8=100 HD3 PRO 84 - HA3 GLY 16 OK 24 100 - 24 - 548/3.0=4, ~3563=3...(8) Peak 1328 from cnoeabs.peaks (3.97, 3.97, 45.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 16 + HA3 GLY 16 OK 100 100 - 100 Peak 1329 from cnoeabs.peaks (7.60, 4.45, 54.36 ppm; 4.48 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 17 + HA LYS 17 OK 100 100 - 100 - 3.0=100 H VAL 20 + HA LYS 17 OK 46 100 - 46 - 4387/4.8=18, 42/3.6=7...(11) HD21 ASN 63 - HA LYS 17 OK 15 93 - 16 - 42/3.6=3, 1359/3.9=2...(6) H LYS 44 - HA LYS 17 lone 5 68 - 7 - 42/3.6=1 Peak 1330 from cnoeabs.peaks (4.45, 4.45, 54.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 17 + HA LYS 17 OK 100 100 - 100 Peak 1331 from cnoeabs.peaks (1.72, 4.45, 54.36 ppm; 3.25 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 17 + HA LYS 17 OK 100 100 - 100 - 3.0=100 HB3 LYS 17 + HA LYS 17 OK 100 100 - 100 - 3.0=100 HB3 LYS 65 - HA LYS 17 OK 20 93 - 22 - 3.0/1334=3, 1362/3.9=2...(8) HB3 ARG 27 - HA LYS 17 lone 5 76 - 7 - HB3 LYS 31 - HA LYS 17 lone 5 81 - 6 - HG2 LYS 78 - HA LYS 17 lone 4 83 - 4 - HB3 MET 48 - HA LYS 17 lone 4 57 - 6 - 4.0/4874=1 HB3 GLN 55 - HA LYS 17 lone 2 63 - 3 - Peak 1332 from cnoeabs.peaks (1.72, 4.45, 54.36 ppm; 3.25 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LYS 17 + HA LYS 17 OK 100 100 - 100 - 3.0=100 HB2 LYS 17 + HA LYS 17 OK 100 100 - 100 - 3.0=100 HB3 LYS 65 - HA LYS 17 OK 20 92 - 22 - 3.0/1334=3, 1362/3.9=2...(8) HB3 ARG 27 - HA LYS 17 lone 6 78 - 7 - HB3 LYS 31 - HA LYS 17 lone 5 83 - 6 - HG2 LYS 78 - HA LYS 17 lone 4 85 - 4 - HB3 GLN 55 - HA LYS 17 lone 2 60 - 3 - HB2 LEU 30 - HA LYS 17 lone 1 60 - 2 - Peak 1333 from cnoeabs.peaks (1.24, 4.45, 54.36 ppm; 3.57 A): 1 out of 9 assignments used, quality = 0.91: * HG2 LYS 17 + HA LYS 17 OK 91 100 - 91 - 3.9=79, 4.9/43=13...(22) QD1 LEU 34 - HA LYS 17 OK 18 78 - 23 - 1360=5, 2.1/1335=2...(8) HG3 LYS 65 - HA LYS 17 OK 15 71 - 22 - ~2940=3, 3.0/1331=3...(7) HD3 LYS 68 - HA LYS 17 OK 13 96 - 13 - 554/3.0=2, 1373/3.9=2...(5) HD2 LYS 68 - HA LYS 17 OK 12 95 - 13 - 554/3.0=2, 1373/3.9=2...(5) HG13 ILE 35 - HA LYS 17 lone 5 98 - 5 - 46/3.6=1, 554/3.0=1 HB2 LEU 79 - HA LYS 17 lone 5 95 - 5 - 554/3.0=1 HB3 LEU 23 - HA LYS 17 lone 5 81 - 6 - 554/3.0=1, 1373/3.9=1 QG2 THR 83 - HA LYS 17 lone 2 68 - 2 - Peak 1334 from cnoeabs.peaks (1.27, 4.45, 54.36 ppm; 3.65 A): 2 out of 8 assignments used, quality = 0.96: * HG3 LYS 17 + HA LYS 17 OK 94 100 - 94 - 3.9=84, 4.9/43=13...(23) HG3 LYS 56 + HA LYS 17 OK 36 98 - 37 - 1370=6, 2.9/5223=5...(12) HG3 LYS 65 - HA LYS 17 OK 27 99 - 28 - 2950/3.0=3, 2950/3.0=3...(9) HB3 LEU 23 - HA LYS 17 lone 7 97 - 7 - 555/3.0=2, 1364/3.9=1 HB3 LYS 68 - HA LYS 17 lone 6 78 - 8 - 3050/3.9=1 HD3 LYS 44 - HA LYS 17 lone 5 83 - 6 - HB2 LEU 79 - HA LYS 17 lone 4 85 - 5 - HG3 LYS 31 - HA LYS 17 lone 4 60 - 6 - Peak 1335 from cnoeabs.peaks (1.51, 4.45, 54.36 ppm; 3.88 A): 2 out of 14 assignments used, quality = 0.99: HD3 LYS 17 + HA LYS 17 OK 88 100 - 88 - 5.1=44, 3.0/1333=18...(34) * HD2 LYS 17 + HA LYS 17 OK 88 100 - 88 - 5.1=44, 3.0/1333=18...(34) HB2 LYS 56 - HA LYS 17 OK 45 99 - 45 - 5223=7, 2.9/1334=6...(17) HD2 LYS 56 - HA LYS 17 OK 28 76 - 38 - 3.0/1334=6, 3.4/5223=5...(17) HG LEU 34 - HA LYS 17 OK 25 99 - 25 - 2.1/1360=4, 2089/3.6=3...(12) QB ALA 71 - HA LYS 17 OK 17 97 - 17 - 2.1/5650=4, 2.9/5649=3...(7) QB ALA 72 - HA LYS 17 OK 14 90 - 16 - 5693/3.0=5, 5672/3.9=3...(5) HG3 ARG 27 - HA LYS 17 lone 10 98 - 10 - HB3 LYS 26 - HA LYS 17 lone 3 98 - 3 - HD3 LYS 64 - HA LYS 17 lone 3 92 - 3 - HG2 GLU 37 - HA LYS 17 lone 3 99 - 3 - HB2 LEU 85 - HA LYS 17 lone 3 100 - 3 - HB2 ARG 45 - HA LYS 17 lone 2 100 - 2 - HB3 LEU 87 - HA LYS 17 lone 2 76 - 2 - Peak 1336 from cnoeabs.peaks (1.51, 4.45, 54.36 ppm; 3.88 A): 2 out of 14 assignments used, quality = 0.99: * HD3 LYS 17 + HA LYS 17 OK 88 100 - 88 - 5.1=44, 3.0/1333=18...(34) HD2 LYS 17 + HA LYS 17 OK 88 100 - 88 - 5.1=44, 3.0/1333=18...(34) HB2 LYS 56 - HA LYS 17 OK 45 99 - 45 - 5223=7, 2.9/1334=6...(17) HD2 LYS 56 - HA LYS 17 OK 28 76 - 38 - 3.0/1334=6, 3.4/5223=5...(17) HG LEU 34 - HA LYS 17 OK 25 99 - 25 - 2.1/1360=4, 2089/3.6=3...(12) QB ALA 71 - HA LYS 17 OK 17 97 - 17 - 2.1/5650=4, 2.9/5649=3...(7) QB ALA 72 - HA LYS 17 OK 14 90 - 16 - 5693/3.0=5, 5672/3.9=3...(5) HG3 ARG 27 - HA LYS 17 lone 10 98 - 10 - HB3 LYS 26 - HA LYS 17 lone 3 98 - 3 - HD3 LYS 64 - HA LYS 17 lone 3 92 - 3 - HG2 GLU 37 - HA LYS 17 lone 3 99 - 3 - HB2 LEU 85 - HA LYS 17 lone 3 100 - 3 - HB2 ARG 45 - HA LYS 17 lone 2 100 - 2 - HB3 LEU 87 - HA LYS 17 lone 2 76 - 2 - Peak 1337 from cnoeabs.peaks (2.85, 4.45, 54.36 ppm; 4.24 A): 2 out of 8 assignments used, quality = 0.97: * HE2 LYS 17 + HA LYS 17 OK 84 100 - 84 - 6.5=28, 3.9/1333=16...(32) HE3 LYS 17 + HA LYS 17 OK 81 97 - 83 - 6.5=28, 3.9/1333=16...(30) HB2 ASN 18 - HA LYS 17 OK 44 95 - 46 - 3.9/43=25, 1.8/4339=7...(12) HB3 ASN 18 - HA LYS 17 OK 43 93 - 46 - 3.9/43=25, 1.8/4339=7...(12) HB3 ASN 63 - HA LYS 17 OK 12 90 - 13 - 2815/3.0=3, 3.5/1329=2...(4) HB3 TYR 32 - HA LYS 17 OK 12 97 - 12 - 4618/3.0=3, 4618/3.0=2...(5) HB3 ASN 24 - HA LYS 17 lone 8 97 - 9 - 1426/4.8=2, 1425/3.6=1, 4339=1 HB2 ASN 90 - HA LYS 17 lone 3 93 - 3 - Peak 1338 from cnoeabs.peaks (2.86, 4.45, 54.36 ppm; 4.24 A): 4 out of 10 assignments used, quality = 0.99: * HE3 LYS 17 + HA LYS 17 OK 83 100 - 83 - 6.5=28, 3.9/1333=16...(30) HE2 LYS 17 + HA LYS 17 OK 82 97 - 84 - 6.5=28, 3.9/1333=16...(32) HB2 ASN 18 + HA LYS 17 OK 46 100 - 46 - 3.9/43=25, 4339=7...(12) HB3 ASN 18 + HA LYS 17 OK 46 100 - 46 - 3.9/43=25, 4339=7...(12) HE2 LYS 65 - HA LYS 17 OK 16 71 - 22 - 3.8/1334=4, 5.1/1331=2...(12) HB3 ASN 63 - HA LYS 17 OK 13 99 - 13 - 2815/3.0=3, 3.5/1329=2...(5) HE3 LYS 65 - HA LYS 17 OK 13 60 - 22 - 3.8/1334=4, 5.1/1331=2...(12) HB3 TYR 32 - HA LYS 17 OK 12 100 - 12 - 4618/3.0=3, 4618/3.0=3...(5) HB3 ASN 24 - HA LYS 17 lone 9 100 - 9 - 1426/4.8=2, 1425/3.6=1, 4339=1 HB2 ASN 90 - HA LYS 17 lone 2 73 - 3 - Peak 1339 from cnoeabs.peaks (7.60, 1.72, 34.03 ppm; 4.18 A): 2 out of 12 assignments used, quality = 1.00: * H LYS 17 + HB2 LYS 17 OK 100 100 - 100 - 4.0=100 H LYS 17 + HB3 LYS 17 OK 100 100 - 100 - 4.0=100 H VAL 20 - HB2 LYS 17 OK 35 100 - 35 - 1329/3.0=8, 1359/2.9=6...(10) H VAL 20 - HB3 LYS 17 OK 35 100 - 35 - 1329/3.0=8, 1359/2.9=6...(10) HD21 ASN 63 - HB2 LYS 17 OK 13 93 - 14 - 1329/3.0=3, 1359/2.9=2...(4) HD21 ASN 63 - HB3 LYS 17 OK 13 93 - 14 - 1329/3.0=3, 1359/2.9=2...(4) H LYS 44 - HB3 LYS 31 poor 7 41 - 17 - 705/3.0=2, 706/3.0=2...(8) H LYS 17 - HB3 LYS 31 lone 5 72 - 7 - 553=1 H LYS 44 - HB2 LYS 17 lone 4 68 - 6 - H LYS 44 - HB3 LYS 17 lone 4 68 - 6 - H VAL 20 - HB3 LYS 31 lone 2 71 - 3 - HD21 ASN 63 - HB3 LYS 31 lone 1 62 - 2 - Peak 1340 from cnoeabs.peaks (4.45, 1.72, 34.03 ppm; 3.62 A): 2 out of 9 assignments used, quality = 1.00: * HA LYS 17 + HB2 LYS 17 OK 100 100 - 100 - 3.0=100 HA LYS 17 + HB3 LYS 17 OK 100 100 - 100 - 3.0=100 HA3 GLY 59 - HB2 LYS 17 OK 24 100 - 24 - 1360/2.9=4, 1370/2.9=4...(10) HA3 GLY 59 - HB3 LYS 17 OK 24 100 - 24 - 1360/2.9=4, 1370/2.9=4...(10) HB THR 13 - HB2 LYS 17 OK 12 60 - 19 - 2.1/4317=5, ~4317=4...(6) HB THR 13 - HB3 LYS 17 OK 12 60 - 19 - 2.1/4317=5, ~4317=4...(6) HA LYS 17 - HB3 LYS 31 lone 6 72 - 8 - 1332=1 HA3 GLY 59 - HB3 LYS 31 lone 3 70 - 4 - HB THR 13 - HB3 LYS 31 lone 0 36 - 1 - Peak 1341 from cnoeabs.peaks (1.72, 1.72, 34.03 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 LYS 17 + HB2 LYS 17 OK 100 100 - 100 HB3 LYS 17 + HB3 LYS 17 OK 100 100 - 100 HB3 LYS 31 + HB3 LYS 31 OK 51 51 - 100 Peak 1342 from cnoeabs.peaks (1.72, 1.72, 34.03 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 LYS 17 + HB3 LYS 17 OK 100 100 - 100 HB2 LYS 17 + HB2 LYS 17 OK 100 100 - 100 HB3 LYS 31 + HB3 LYS 31 OK 52 52 - 100 Reference assignment not found: HB3 LYS 17 - HB2 LYS 17 Peak 1343 from cnoeabs.peaks (1.24, 1.72, 34.03 ppm; 3.28 A): 2 out of 27 assignments used, quality = 1.00: * HG2 LYS 17 + HB2 LYS 17 OK 100 100 - 100 - 2.9=100 HG2 LYS 17 + HB3 LYS 17 OK 100 100 - 100 - 2.9=100 HG3 LYS 65 - HB2 LYS 17 OK 29 71 - 41 - 1.8/2940=4, 3.0/2920=4...(16) HG3 LYS 65 - HB3 LYS 17 OK 29 71 - 41 - 1.8/2940=4, 3.0/2920=4...(16) QD1 LEU 34 - HB2 LYS 17 OK 23 78 - 29 - 1362=3, 1360/3.0=3...(10) QD1 LEU 34 - HB3 LYS 17 OK 23 78 - 29 - 1362=3, 1360/3.0=3...(10) HD3 LYS 68 - HB2 LYS 17 OK 20 96 - 21 - 1373/2.9=2, 1333/3.0=2...(4) HD3 LYS 68 - HB3 LYS 17 OK 20 96 - 21 - 1373/2.9=2, 1333/3.0=2...(4) HD2 LYS 68 - HB2 LYS 17 OK 20 95 - 21 - 1373/2.9=2, 1333/3.0=2...(5) HD2 LYS 68 - HB3 LYS 17 OK 20 94 - 21 - 1373/2.9=2, 1333/3.0=2...(5) HB3 LEU 23 - HB3 LYS 17 poor 8 81 - 10 - 1373/2.9=1, ~1588=1 HB3 LEU 23 - HB2 LYS 17 poor 8 81 - 10 - 1373/2.9=1, ~1588=1 HB2 LEU 79 - HB3 LYS 17 lone 7 94 - 8 - HB2 LEU 79 - HB2 LYS 17 lone 7 95 - 8 - HG13 ILE 35 - HB2 LYS 17 lone 7 98 - 7 - HG13 ILE 35 - HB3 LYS 17 lone 7 98 - 7 - HG2 LYS 17 - HB3 LYS 31 lone 6 72 - 8 - 1362=1 HD3 LYS 68 - HB3 LYS 31 lone 3 64 - 5 - HD2 LYS 68 - HB3 LYS 31 lone 3 63 - 5 - QD1 LEU 34 - HB3 LYS 31 lone 3 49 - 7 - HB2 LEU 79 - HB3 LYS 31 lone 2 63 - 3 - QG2 THR 83 - HB2 LYS 17 lone 2 68 - 2 - QG2 THR 83 - HB3 LYS 17 lone 1 68 - 2 - HB3 LEU 23 - HB3 LYS 31 lone 1 51 - 3 - HG3 LYS 65 - HB3 LYS 31 lone 1 43 - 2 - HG13 ILE 35 - HB3 LYS 31 lone 1 67 - 1 - QG2 THR 83 - HB3 LYS 31 lone 0 41 - 1 - Peak 1344 from cnoeabs.peaks (1.27, 1.72, 34.03 ppm; 3.16 A): 2 out of 24 assignments used, quality = 1.00: * HG3 LYS 17 + HB2 LYS 17 OK 100 100 - 100 - 2.9=100 HG3 LYS 17 + HB3 LYS 17 OK 100 100 - 100 - 2.9=100 HG3 LYS 56 - HB2 LYS 17 OK 43 98 - 44 - 1334/3.0=4, 2950=4...(19) HG3 LYS 56 - HB3 LYS 17 OK 43 98 - 44 - 1334/3.0=4, 2950=4...(19) HG3 LYS 65 - HB2 LYS 17 OK 41 99 - 42 - 2950=4, 1.8/2940=4...(17) HG3 LYS 65 - HB3 LYS 17 OK 41 99 - 42 - 2950=4, 1.8/2940=4...(17) HG3 LYS 31 - HB3 LYS 31 OK 36 36 - 100 - 3.0=100 HD3 LYS 44 - HB3 LYS 31 OK 16 52 - 30 - ~1932=3, 2312/3.0=3...(12) HB3 LYS 68 - HB2 LYS 17 OK 11 78 - 14 - 1364/2.9=1 HG3 LYS 56 - HB3 LYS 31 OK 11 67 - 16 - ~1932=1, 2949/1.8=1...(4) HB3 LYS 68 - HB3 LYS 17 OK 11 78 - 14 - 1364/2.9=1 HB3 LEU 23 - HB3 LYS 17 poor 10 97 - 10 - 1364/2.9=1, ~1588=1 HB3 LEU 23 - HB2 LYS 17 poor 10 97 - 10 - 1364/2.9=1, ~1588=1 HG3 LYS 31 - HB3 LYS 17 lone 6 60 - 9 - HG3 LYS 31 - HB2 LYS 17 lone 6 60 - 9 - HB2 LEU 79 - HB3 LYS 17 lone 6 85 - 6 - HB2 LEU 79 - HB2 LYS 17 lone 6 85 - 6 - HG3 LYS 17 - HB3 LYS 31 lone 5 72 - 7 - HD3 LYS 44 - HB2 LYS 17 lone 4 83 - 5 - HD3 LYS 44 - HB3 LYS 17 lone 4 83 - 5 - HB3 LYS 68 - HB3 LYS 31 lone 3 49 - 6 - 137/4.1=1 HB3 LEU 23 - HB3 LYS 31 lone 2 65 - 3 - HG3 LYS 65 - HB3 LYS 31 lone 2 69 - 2 - HB2 LEU 79 - HB3 LYS 31 lone 1 54 - 2 - Peak 1345 from cnoeabs.peaks (1.51, 1.72, 34.03 ppm; 3.37 A): 6 out of 42 assignments used, quality = 1.00: HD3 LYS 17 + HB2 LYS 17 OK 94 100 - 94 - 3.7=74, 1390/3.0=6...(47) * HD2 LYS 17 + HB2 LYS 17 OK 94 100 - 94 - 3.7=74, 1390/3.0=6...(47) HD3 LYS 17 + HB3 LYS 17 OK 94 100 - 94 - 3.7=74, 1380/3.0=6...(47) HD2 LYS 17 + HB3 LYS 17 OK 94 100 - 94 - 3.7=74, 1390/3.0=6...(47) HB2 LYS 56 + HB2 LYS 17 OK 47 99 - 48 - 5223/3.0=5, 2624/2.9=4...(23) HB2 LYS 56 + HB3 LYS 17 OK 47 99 - 48 - 5223/3.0=5, 2624/2.9=4...(23) HG3 ARG 27 - HB3 LYS 31 OK 44 67 - 65 - 1794/3.0=6, ~1932=6...(39) HD2 LYS 56 - HB2 LYS 17 OK 32 76 - 43 - 1382=3, 3.0/2950=3...(24) HD2 LYS 56 - HB3 LYS 17 OK 32 76 - 43 - 1382=3, ~2674=3...(24) HG LEU 34 - HB2 LYS 17 OK 27 99 - 27 - 2095/2.9=3, 2.1/1362=2...(13) HG LEU 34 - HB3 LYS 17 OK 27 99 - 27 - 2095/2.9=3, 2.1/1362=2...(13) HG3 ARG 27 - HB2 LYS 17 OK 13 98 - 13 - HG3 ARG 27 - HB3 LYS 17 OK 13 98 - 13 - HB2 LYS 56 - HB3 LYS 31 OK 13 68 - 18 - 2624/3.0=2, 2626/3.0=1...(4) QB ALA 72 - HB2 LYS 17 OK 10 90 - 11 - 5693/4.0=3, 5672/2.9=2 QB ALA 72 - HB3 LYS 17 OK 10 90 - 11 - 5693/4.0=3, 5672/2.9=2 HD2 LYS 56 - HB3 LYS 31 poor 9 47 - 20 - ~1932=2, ~1933=1...(7) HB3 LYS 26 - HB3 LYS 31 poor 8 67 - 12 - 4.3/616=2, ~1933=2, 1690/3.0=2 QB ALA 71 - HB2 LYS 17 lone 7 97 - 7 - ~5650=1, 1336/3.0=1 QB ALA 71 - HB3 LYS 17 lone 7 97 - 7 - ~5650=1, 1336/3.0=1 HB2 ARG 45 - HB3 LYS 31 lone 6 72 - 8 - 6180/3.9=2 HG2 GLU 37 - HB3 LYS 31 lone 5 69 - 8 - 3934/3.9=3, 2187/1.8=1 HG LEU 34 - HB3 LYS 31 lone 5 70 - 7 - HD3 LYS 64 - HB2 LYS 17 lone 5 92 - 5 - HD3 LYS 17 - HB3 LYS 31 lone 5 72 - 7 - HD2 LYS 17 - HB3 LYS 31 lone 5 72 - 7 - HD3 LYS 64 - HB3 LYS 17 lone 5 92 - 5 - HG2 GLU 37 - HB2 LYS 17 lone 3 99 - 3 - HG2 GLU 37 - HB3 LYS 17 lone 3 99 - 3 - QB ALA 71 - HB3 LYS 31 lone 3 65 - 5 - HB3 LYS 26 - HB2 LYS 17 lone 3 98 - 3 - HB3 LYS 26 - HB3 LYS 17 lone 3 98 - 3 - HB2 LEU 85 - HB2 LYS 17 lone 3 100 - 3 - HB2 LEU 85 - HB3 LYS 17 lone 3 100 - 3 - QB ALA 72 - HB3 LYS 31 lone 3 59 - 5 - HB3 LEU 87 - HB3 LYS 31 lone 3 47 - 5 - ~4599=1 HB3 LEU 87 - HB2 LYS 17 lone 2 76 - 2 - HB3 LEU 87 - HB3 LYS 17 lone 2 76 - 2 - HB2 ARG 45 - HB2 LYS 17 lone 2 100 - 2 - HB2 ARG 45 - HB3 LYS 17 lone 2 100 - 1 - HB2 LEU 85 - HB3 LYS 31 lone 1 71 - 2 - HD3 LYS 64 - HB3 LYS 31 lone 1 60 - 2 - Peak 1346 from cnoeabs.peaks (1.51, 1.72, 34.03 ppm; 3.37 A): 6 out of 42 assignments used, quality = 1.00: * HD3 LYS 17 + HB2 LYS 17 OK 94 100 - 94 - 3.7=74, 1390/3.0=6...(47) HD2 LYS 17 + HB2 LYS 17 OK 94 100 - 94 - 3.7=74, 1390/3.0=6...(47) HD3 LYS 17 + HB3 LYS 17 OK 94 100 - 94 - 3.7=74, 1380/3.0=6...(47) HD2 LYS 17 + HB3 LYS 17 OK 94 100 - 94 - 3.7=74, 1390/3.0=6...(47) HB2 LYS 56 + HB2 LYS 17 OK 47 99 - 48 - 5223/3.0=5, 2624/2.9=4...(23) HB2 LYS 56 + HB3 LYS 17 OK 47 99 - 48 - 5223/3.0=5, 2624/2.9=4...(23) HG3 ARG 27 - HB3 LYS 31 OK 44 67 - 65 - 1794/3.0=6, ~1932=6...(39) HD2 LYS 56 - HB2 LYS 17 OK 32 76 - 43 - 1382=3, 3.0/2950=3...(24) HD2 LYS 56 - HB3 LYS 17 OK 32 76 - 43 - 1382=3, ~2674=3...(24) HG LEU 34 - HB2 LYS 17 OK 27 99 - 27 - 2095/2.9=3, 2.1/1362=2...(13) HG LEU 34 - HB3 LYS 17 OK 27 99 - 27 - 2095/2.9=3, 2.1/1362=2...(13) HG3 ARG 27 - HB2 LYS 17 OK 13 98 - 13 - HG3 ARG 27 - HB3 LYS 17 OK 13 98 - 13 - HB2 LYS 56 - HB3 LYS 31 OK 13 68 - 18 - 2624/3.0=2, 2626/3.0=1...(4) QB ALA 72 - HB2 LYS 17 OK 10 90 - 11 - 5693/4.0=3, 5672/2.9=2 QB ALA 72 - HB3 LYS 17 OK 10 90 - 11 - 5693/4.0=3, 5672/2.9=2 HD2 LYS 56 - HB3 LYS 31 poor 9 47 - 20 - ~1932=2, ~1933=1...(7) HB3 LYS 26 - HB3 LYS 31 poor 8 67 - 12 - 4.3/616=2, ~1933=2, 1690/3.0=2 QB ALA 71 - HB2 LYS 17 lone 7 97 - 7 - ~5650=1, 1336/3.0=1 QB ALA 71 - HB3 LYS 17 lone 7 97 - 7 - ~5650=1, 1336/3.0=1 HB2 ARG 45 - HB3 LYS 31 lone 6 72 - 8 - 6180/3.9=2 HG2 GLU 37 - HB3 LYS 31 lone 5 69 - 8 - 3934/3.9=3, 2187/1.8=1 HG LEU 34 - HB3 LYS 31 lone 5 70 - 7 - HD3 LYS 64 - HB2 LYS 17 lone 5 92 - 5 - HD3 LYS 17 - HB3 LYS 31 lone 5 72 - 7 - HD2 LYS 17 - HB3 LYS 31 lone 5 72 - 7 - HD3 LYS 64 - HB3 LYS 17 lone 5 92 - 5 - HG2 GLU 37 - HB2 LYS 17 lone 3 99 - 3 - HG2 GLU 37 - HB3 LYS 17 lone 3 99 - 3 - QB ALA 71 - HB3 LYS 31 lone 3 65 - 5 - HB3 LYS 26 - HB2 LYS 17 lone 3 98 - 3 - HB3 LYS 26 - HB3 LYS 17 lone 3 98 - 3 - HB2 LEU 85 - HB2 LYS 17 lone 3 100 - 3 - HB2 LEU 85 - HB3 LYS 17 lone 3 100 - 3 - QB ALA 72 - HB3 LYS 31 lone 3 59 - 5 - HB3 LEU 87 - HB3 LYS 31 lone 3 47 - 5 - ~4599=1 HB3 LEU 87 - HB2 LYS 17 lone 2 76 - 2 - HB3 LEU 87 - HB3 LYS 17 lone 2 76 - 2 - HB2 ARG 45 - HB2 LYS 17 lone 2 100 - 2 - HB2 ARG 45 - HB3 LYS 17 lone 2 100 - 1 - HB2 LEU 85 - HB3 LYS 31 lone 1 71 - 2 - HD3 LYS 64 - HB3 LYS 31 lone 1 60 - 2 - Peak 1347 from cnoeabs.peaks (2.85, 1.72, 34.03 ppm; 4.01 A): 4 out of 24 assignments used, quality = 1.00: HE2 LYS 17 + HB3 LYS 17 OK 95 100 - 95 - 5.0=51, 1377/2.9=12...(47) * HE2 LYS 17 + HB2 LYS 17 OK 95 100 - 95 - 5.0=51, 1377/2.9=12...(47) HE3 LYS 17 + HB2 LYS 17 OK 92 97 - 94 - 5.0=51, 1377/2.9=11...(43) HE3 LYS 17 + HB3 LYS 17 OK 92 97 - 94 - 5.0=51, 1377/2.9=11...(43) HB3 TYR 32 - HB3 LYS 31 OK 43 66 - 65 - 2020/4.1=24, ~4597=13...(14) HB2 ASN 18 - HB2 LYS 17 OK 30 95 - 31 - 3.9/45=9, 4339/3.0=5...(12) HB2 ASN 18 - HB3 LYS 17 OK 30 94 - 31 - 3.9/45=9, 4339/3.0=5...(12) HB3 ASN 18 - HB2 LYS 17 OK 29 93 - 31 - 3.9/45=9, 4339/3.0=5...(12) HB3 ASN 18 - HB3 LYS 17 OK 29 93 - 31 - 3.9/45=9, 4339/3.0=5...(12) HB3 TYR 32 - HB2 LYS 17 OK 16 97 - 16 - 4618=3, 4618/1.8=3...(7) HB3 TYR 32 - HB3 LYS 17 OK 16 97 - 16 - 4618=3, 4618/1.8=3...(7) HB3 ASN 63 - HB2 LYS 17 lone 8 90 - 8 - 2815/4.0=2, 1337/3.0=1 HB3 ASN 63 - HB3 LYS 17 lone 8 90 - 8 - 2815/4.0=2, 1337/3.0=1 HE2 LYS 17 - HB3 LYS 31 lone 6 72 - 9 - 652/4.1=2 HE3 LYS 17 - HB3 LYS 31 lone 6 66 - 8 - 652/4.1=2 HB3 ASN 24 - HB2 LYS 17 lone 6 97 - 6 - 4339/3.0=1 HB3 ASN 24 - HB3 LYS 17 lone 6 97 - 6 - 4339/3.0=1 HB3 ASN 24 - HB3 LYS 31 lone 4 65 - 7 - 652/4.1=2 HB2 ASN 90 - HB2 LYS 17 lone 2 93 - 3 - HB2 ASN 90 - HB3 LYS 17 lone 2 93 - 3 - HB3 ASN 63 - HB3 LYS 31 lone 2 59 - 4 - 652/4.1=1 HB2 ASN 18 - HB3 LYS 31 lone 2 63 - 4 - 652/4.1=1 HB3 ASN 18 - HB3 LYS 31 lone 2 62 - 4 - 652/4.1=1 HB2 ASN 90 - HB3 LYS 31 lone 1 62 - 2 - Peak 1348 from cnoeabs.peaks (2.86, 1.72, 34.03 ppm; 4.01 A): 5 out of 30 assignments used, quality = 1.00: * HE3 LYS 17 + HB2 LYS 17 OK 94 100 - 94 - 5.0=51, 1404/2.9=11...(43) HE3 LYS 17 + HB3 LYS 17 OK 94 100 - 94 - 5.0=51, 1404/2.9=11...(43) HE2 LYS 17 + HB2 LYS 17 OK 92 97 - 95 - 5.0=51, 1404/2.9=11...(47) HE2 LYS 17 + HB3 LYS 17 OK 92 97 - 95 - 5.0=51, 1404/2.9=11...(47) HB3 TYR 32 + HB3 LYS 31 OK 47 72 - 66 - 2020/4.1=25, ~4597=13...(14) HB3 ASN 18 - HB2 LYS 17 OK 32 100 - 32 - 3.9/45=9, 4339/3.0=6...(12) HB3 ASN 18 - HB3 LYS 17 OK 32 100 - 32 - 3.9/45=9, 4339/3.0=6...(12) HB2 ASN 18 - HB2 LYS 17 OK 32 100 - 32 - 3.9/45=9, 4339/3.0=6...(12) HB2 ASN 18 - HB3 LYS 17 OK 32 100 - 32 - 3.9/45=9, 4339/3.0=6...(12) HE2 LYS 65 - HB2 LYS 17 OK 26 71 - 36 - 3.8/2940=4, 3.8/2950=3...(19) HE2 LYS 65 - HB3 LYS 17 OK 25 71 - 36 - 3.8/2940=4, 3.8/2950=3...(19) HE3 LYS 65 - HB2 LYS 17 OK 22 60 - 36 - 3.8/2940=4, 3.8/2950=3...(20) HE3 LYS 65 - HB3 LYS 17 OK 21 60 - 36 - 3.8/2940=4, 3.8/2950=3...(20) HB3 TYR 32 - HB2 LYS 17 OK 16 100 - 16 - 4618=3, 4618/1.8=3...(7) HB3 TYR 32 - HB3 LYS 17 OK 16 100 - 16 - 4618=3, 4618/1.8=3...(7) HB3 ASN 63 - HB2 LYS 17 lone 9 99 - 9 - 2815/4.0=2, 1338/3.0=1 HB3 ASN 63 - HB3 LYS 17 lone 9 99 - 9 - 2815/4.0=2, 1338/3.0=1 HE3 LYS 17 - HB3 LYS 31 lone 6 72 - 9 - 652/4.1=2 HB3 ASN 24 - HB2 LYS 17 lone 6 100 - 6 - 4339/3.0=1 HB3 ASN 24 - HB3 LYS 17 lone 6 100 - 6 - 4339/3.0=1 HE2 LYS 17 - HB3 LYS 31 lone 6 66 - 9 - 652/4.1=2 HB3 ASN 24 - HB3 LYS 31 lone 5 72 - 7 - 652/4.1=2 HB3 ASN 63 - HB3 LYS 31 lone 3 70 - 4 - 652/4.1=1 HB2 ASN 18 - HB3 LYS 31 lone 3 71 - 4 - 652/4.1=1 HB3 ASN 18 - HB3 LYS 31 lone 3 71 - 4 - 652/4.1=1 HB2 ASN 90 - HB2 LYS 17 lone 2 73 - 2 - HB2 ASN 90 - HB3 LYS 17 lone 2 73 - 2 - HE2 LYS 65 - HB3 LYS 31 lone 1 43 - 3 - HE3 LYS 65 - HB3 LYS 31 lone 1 36 - 2 - HB2 ASN 90 - HB3 LYS 31 lone 1 45 - 2 - Peak 1349 from cnoeabs.peaks (7.60, 1.72, 34.03 ppm; 4.18 A): 2 out of 12 assignments used, quality = 1.00: * H LYS 17 + HB3 LYS 17 OK 100 100 - 100 - 4.0=100 H LYS 17 + HB2 LYS 17 OK 100 100 - 100 - 4.0=100 H VAL 20 - HB3 LYS 17 OK 35 100 - 35 - 1329/3.0=8, 1359/2.9=6...(10) H VAL 20 - HB2 LYS 17 OK 35 100 - 35 - 1329/3.0=8, 1359/2.9=6...(10) HD21 ASN 63 - HB2 LYS 17 OK 13 93 - 14 - 1329/3.0=3, 1359/2.9=2...(4) HD21 ASN 63 - HB3 LYS 17 OK 13 93 - 14 - 1329/3.0=3, 1359/2.9=2...(4) H LYS 44 - HB3 LYS 31 poor 7 43 - 17 - 705/3.0=2, 706/3.0=2...(8) H LYS 17 - HB3 LYS 31 lone 6 74 - 7 - 553=1 H LYS 44 - HB3 LYS 17 lone 4 68 - 6 - H LYS 44 - HB2 LYS 17 lone 4 68 - 6 - H VAL 20 - HB3 LYS 31 lone 2 73 - 3 - HD21 ASN 63 - HB3 LYS 31 lone 1 64 - 2 - Peak 1350 from cnoeabs.peaks (4.45, 1.72, 34.03 ppm; 3.62 A): 2 out of 9 assignments used, quality = 1.00: * HA LYS 17 + HB3 LYS 17 OK 100 100 - 100 - 3.0=100 HA LYS 17 + HB2 LYS 17 OK 100 100 - 100 - 3.0=100 HA3 GLY 59 - HB2 LYS 17 OK 24 100 - 24 - 1360/2.9=4, 1370/2.9=4...(10) HA3 GLY 59 - HB3 LYS 17 OK 24 100 - 24 - 1360/2.9=4, 1370/2.9=4...(10) HB THR 13 - HB3 LYS 17 OK 12 60 - 19 - 2.1/4317=5, ~4317=4...(6) HB THR 13 - HB2 LYS 17 OK 12 60 - 19 - 2.1/4317=5, ~4317=4...(6) HA LYS 17 - HB3 LYS 31 lone 6 74 - 8 - 1332=1 HA3 GLY 59 - HB3 LYS 31 lone 3 72 - 4 - HB THR 13 - HB3 LYS 31 lone 0 37 - 1 - Peak 1351 from cnoeabs.peaks (1.72, 1.72, 34.03 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 LYS 17 + HB3 LYS 17 OK 100 100 - 100 HB2 LYS 17 + HB2 LYS 17 OK 100 100 - 100 HB3 LYS 31 + HB3 LYS 31 OK 52 52 - 100 Reference assignment not found: HB2 LYS 17 - HB3 LYS 17 Peak 1352 from cnoeabs.peaks (1.72, 1.72, 34.03 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 LYS 17 + HB3 LYS 17 OK 100 100 - 100 HB2 LYS 17 + HB2 LYS 17 OK 100 100 - 100 HB3 LYS 31 + HB3 LYS 31 OK 54 54 - 100 Peak 1353 from cnoeabs.peaks (1.24, 1.72, 34.03 ppm; 3.28 A): 2 out of 27 assignments used, quality = 1.00: * HG2 LYS 17 + HB3 LYS 17 OK 100 100 - 100 - 2.9=100 HG2 LYS 17 + HB2 LYS 17 OK 100 100 - 100 - 2.9=100 HG3 LYS 65 - HB2 LYS 17 OK 29 71 - 41 - 1.8/2940=4, 3.0/2920=4...(16) HG3 LYS 65 - HB3 LYS 17 OK 29 71 - 40 - 1.8/2940=4, 3.0/2920=3...(16) QD1 LEU 34 - HB2 LYS 17 OK 23 78 - 29 - 1362=3, 1360/3.0=3...(10) QD1 LEU 34 - HB3 LYS 17 OK 23 78 - 29 - 1362=3, 1360/3.0=3...(10) HD3 LYS 68 - HB2 LYS 17 OK 20 96 - 21 - 1373/2.9=2, 1333/3.0=2...(4) HD3 LYS 68 - HB3 LYS 17 OK 20 96 - 21 - 1373/2.9=2, 1333/3.0=2...(4) HD2 LYS 68 - HB2 LYS 17 OK 20 94 - 21 - 1373/2.9=2, 1333/3.0=2...(5) HD2 LYS 68 - HB3 LYS 17 OK 20 95 - 21 - 1373/2.9=2, 1333/3.0=2...(5) HB3 LEU 23 - HB3 LYS 17 poor 8 81 - 10 - 1373/2.9=1, ~1588=1 HB3 LEU 23 - HB2 LYS 17 poor 8 81 - 10 - 1373/2.9=1, ~1588=1 HB2 LEU 79 - HB3 LYS 17 lone 7 95 - 8 - HB2 LEU 79 - HB2 LYS 17 lone 7 94 - 8 - HG13 ILE 35 - HB2 LYS 17 lone 7 98 - 7 - HG13 ILE 35 - HB3 LYS 17 lone 7 98 - 7 - HG2 LYS 17 - HB3 LYS 31 lone 7 74 - 9 - 1362=1 HD3 LYS 68 - HB3 LYS 31 lone 4 66 - 5 - HD2 LYS 68 - HB3 LYS 31 lone 4 65 - 5 - QD1 LEU 34 - HB3 LYS 31 lone 3 51 - 7 - HB2 LEU 79 - HB3 LYS 31 lone 2 65 - 3 - QG2 THR 83 - HB2 LYS 17 lone 2 68 - 2 - QG2 THR 83 - HB3 LYS 17 lone 1 68 - 2 - HB3 LEU 23 - HB3 LYS 31 lone 1 52 - 3 - HG3 LYS 65 - HB3 LYS 31 lone 1 45 - 2 - HG13 ILE 35 - HB3 LYS 31 lone 1 70 - 1 - QG2 THR 83 - HB3 LYS 31 lone 0 43 - 1 - Peak 1354 from cnoeabs.peaks (1.27, 1.72, 34.03 ppm; 3.16 A): 2 out of 24 assignments used, quality = 1.00: * HG3 LYS 17 + HB3 LYS 17 OK 100 100 - 100 - 2.9=100 HG3 LYS 17 + HB2 LYS 17 OK 100 100 - 100 - 2.9=100 HG3 LYS 56 - HB2 LYS 17 OK 43 98 - 44 - 1334/3.0=4, 2950=4...(19) HG3 LYS 56 - HB3 LYS 17 OK 43 98 - 44 - 1334/3.0=4, 2950=4...(19) HG3 LYS 65 - HB2 LYS 17 OK 41 99 - 42 - 2950=4, 1.8/2940=4...(17) HG3 LYS 65 - HB3 LYS 17 OK 41 99 - 41 - 2950=4, 1.8/2940=4...(17) HG3 LYS 31 - HB3 LYS 31 OK 37 37 - 100 - 3.0=100 HD3 LYS 44 - HB3 LYS 31 OK 16 54 - 30 - ~1932=3, 2312/3.0=3...(12) HG3 LYS 56 - HB3 LYS 31 OK 11 70 - 16 - ~1932=1, 2949/1.8=1...(5) HB3 LYS 68 - HB2 LYS 17 OK 11 78 - 14 - 1364/2.9=1 HB3 LYS 68 - HB3 LYS 17 OK 11 78 - 14 - 1364/2.9=1 HB3 LEU 23 - HB3 LYS 17 poor 10 97 - 10 - 1364/2.9=1, ~1588=1 HB3 LEU 23 - HB2 LYS 17 poor 10 97 - 10 - 1364/2.9=1, ~1588=1 HG3 LYS 31 - HB3 LYS 17 lone 6 60 - 9 - HG3 LYS 31 - HB2 LYS 17 lone 6 60 - 9 - HG3 LYS 17 - HB3 LYS 31 lone 6 74 - 7 - HB2 LEU 79 - HB3 LYS 17 lone 6 85 - 6 - HB2 LEU 79 - HB2 LYS 17 lone 6 85 - 6 - HD3 LYS 44 - HB3 LYS 17 lone 4 83 - 5 - HD3 LYS 44 - HB2 LYS 17 lone 4 83 - 5 - HB3 LYS 68 - HB3 LYS 31 lone 3 51 - 6 - 137/4.1=1 HB3 LEU 23 - HB3 LYS 31 lone 2 67 - 3 - HG3 LYS 65 - HB3 LYS 31 lone 2 71 - 2 - HB2 LEU 79 - HB3 LYS 31 lone 1 56 - 2 - Peak 1355 from cnoeabs.peaks (1.51, 1.72, 34.03 ppm; 3.37 A): 7 out of 42 assignments used, quality = 1.00: HD3 LYS 17 + HB3 LYS 17 OK 94 100 - 94 - 3.7=74, 1380/3.0=6...(47) * HD2 LYS 17 + HB3 LYS 17 OK 94 100 - 94 - 3.7=74, 1380/3.0=6...(47) HD3 LYS 17 + HB2 LYS 17 OK 94 100 - 94 - 3.7=74, 1390/3.0=6...(47) HD2 LYS 17 + HB2 LYS 17 OK 94 100 - 94 - 3.7=74, 1390/3.0=6...(47) HB2 LYS 56 + HB2 LYS 17 OK 47 99 - 48 - 5223/3.0=5, 2624/2.9=4...(23) HB2 LYS 56 + HB3 LYS 17 OK 47 99 - 48 - 5223/3.0=5, 2624/2.9=4...(23) HG3 ARG 27 + HB3 LYS 31 OK 45 70 - 66 - 1794/3.0=6, ~1932=6...(39) HD2 LYS 56 - HB2 LYS 17 OK 32 76 - 43 - 1382=3, ~2674=3...(24) HD2 LYS 56 - HB3 LYS 17 OK 32 76 - 43 - 1382=3, ~2674=3...(24) HG LEU 34 - HB2 LYS 17 OK 27 99 - 27 - 2095/2.9=3, 2.1/1362=2...(13) HG LEU 34 - HB3 LYS 17 OK 27 99 - 27 - 2095/2.9=3, 2.1/1362=2...(13) HG3 ARG 27 - HB3 LYS 17 OK 13 98 - 13 - HG3 ARG 27 - HB2 LYS 17 OK 13 98 - 13 - HB2 LYS 56 - HB3 LYS 31 OK 13 70 - 18 - 2624/3.0=2, 2626/3.0=1...(5) QB ALA 72 - HB3 LYS 17 OK 10 90 - 11 - 5693/4.0=3, 5672/2.9=2 QB ALA 72 - HB2 LYS 17 OK 10 90 - 11 - 5693/4.0=3, 5672/2.9=2 HD2 LYS 56 - HB3 LYS 31 poor 10 49 - 20 - ~1932=2, ~1933=1...(8) HB3 LYS 26 - HB3 LYS 31 poor 9 70 - 13 - 4.3/616=2, ~1933=2, 1690/3.0=2 QB ALA 71 - HB2 LYS 17 lone 7 97 - 7 - ~5650=1, 1336/3.0=1 QB ALA 71 - HB3 LYS 17 lone 7 97 - 7 - ~5650=1, 1336/3.0=1 HB2 ARG 45 - HB3 LYS 31 lone 6 74 - 8 - 6180/3.9=2 HG2 GLU 37 - HB3 LYS 31 lone 5 71 - 8 - 3934/3.9=3, 2187/1.8=1 HG LEU 34 - HB3 LYS 31 lone 5 72 - 7 - HD2 LYS 17 - HB3 LYS 31 lone 5 74 - 7 - HD3 LYS 17 - HB3 LYS 31 lone 5 74 - 7 - HD3 LYS 64 - HB2 LYS 17 lone 5 92 - 5 - HD3 LYS 64 - HB3 LYS 17 lone 5 92 - 5 - HG2 GLU 37 - HB3 LYS 17 lone 3 99 - 3 - HG2 GLU 37 - HB2 LYS 17 lone 3 99 - 3 - QB ALA 71 - HB3 LYS 31 lone 3 67 - 5 - HB3 LYS 26 - HB2 LYS 17 lone 3 98 - 3 - QB ALA 72 - HB3 LYS 31 lone 3 61 - 5 - HB3 LYS 26 - HB3 LYS 17 lone 3 98 - 3 - HB2 LEU 85 - HB2 LYS 17 lone 3 100 - 3 - HB2 LEU 85 - HB3 LYS 17 lone 3 100 - 3 - HB3 LEU 87 - HB3 LYS 31 lone 3 49 - 5 - ~4599=1 HB3 LEU 87 - HB2 LYS 17 lone 2 76 - 3 - HB3 LEU 87 - HB3 LYS 17 lone 2 76 - 2 - HB2 ARG 45 - HB2 LYS 17 lone 2 100 - 2 - HB2 ARG 45 - HB3 LYS 17 lone 2 100 - 2 - HB2 LEU 85 - HB3 LYS 31 lone 1 73 - 2 - HD3 LYS 64 - HB3 LYS 31 lone 1 62 - 2 - Peak 1356 from cnoeabs.peaks (1.51, 1.72, 34.03 ppm; 3.37 A): 7 out of 42 assignments used, quality = 1.00: * HD3 LYS 17 + HB3 LYS 17 OK 94 100 - 94 - 3.7=74, 1380/3.0=6...(47) HD2 LYS 17 + HB3 LYS 17 OK 94 100 - 94 - 3.7=74, 1380/3.0=6...(47) HD3 LYS 17 + HB2 LYS 17 OK 94 100 - 94 - 3.7=74, 1390/3.0=6...(47) HD2 LYS 17 + HB2 LYS 17 OK 94 100 - 94 - 3.7=74, 1390/3.0=6...(47) HB2 LYS 56 + HB2 LYS 17 OK 47 99 - 48 - 5223/3.0=5, 2624/2.9=4...(23) HB2 LYS 56 + HB3 LYS 17 OK 47 99 - 48 - 5223/3.0=5, 2624/2.9=4...(23) HG3 ARG 27 + HB3 LYS 31 OK 45 70 - 66 - 1794/3.0=6, ~1932=6...(39) HD2 LYS 56 - HB2 LYS 17 OK 32 76 - 43 - 1382=3, ~2674=3...(24) HD2 LYS 56 - HB3 LYS 17 OK 32 76 - 43 - 1382=3, ~2674=3...(24) HG LEU 34 - HB2 LYS 17 OK 27 99 - 27 - 2095/2.9=3, 2.1/1362=2...(13) HG LEU 34 - HB3 LYS 17 OK 27 99 - 27 - 2095/2.9=3, 2.1/1362=2...(13) HG3 ARG 27 - HB3 LYS 17 OK 13 98 - 13 - HG3 ARG 27 - HB2 LYS 17 OK 13 98 - 13 - HB2 LYS 56 - HB3 LYS 31 OK 13 70 - 18 - 2624/3.0=2, 2626/3.0=1...(5) QB ALA 72 - HB3 LYS 17 OK 10 90 - 11 - 5693/4.0=3, 5672/2.9=2 QB ALA 72 - HB2 LYS 17 OK 10 90 - 11 - 5693/4.0=3, 5672/2.9=2 HD2 LYS 56 - HB3 LYS 31 poor 10 49 - 20 - ~1932=2, ~1933=1...(8) HB3 LYS 26 - HB3 LYS 31 poor 9 70 - 13 - 4.3/616=2, ~1933=2, 1690/3.0=2 QB ALA 71 - HB2 LYS 17 lone 7 97 - 7 - ~5650=1, 1336/3.0=1 QB ALA 71 - HB3 LYS 17 lone 7 97 - 7 - ~5650=1, 1336/3.0=1 HB2 ARG 45 - HB3 LYS 31 lone 6 74 - 8 - 6180/3.9=2 HG2 GLU 37 - HB3 LYS 31 lone 5 71 - 8 - 3934/3.9=3, 2187/1.8=1 HG LEU 34 - HB3 LYS 31 lone 5 72 - 7 - HD2 LYS 17 - HB3 LYS 31 lone 5 74 - 7 - HD3 LYS 17 - HB3 LYS 31 lone 5 74 - 7 - HD3 LYS 64 - HB2 LYS 17 lone 5 92 - 5 - HD3 LYS 64 - HB3 LYS 17 lone 5 92 - 5 - HG2 GLU 37 - HB3 LYS 17 lone 3 99 - 3 - HG2 GLU 37 - HB2 LYS 17 lone 3 99 - 3 - QB ALA 71 - HB3 LYS 31 lone 3 67 - 5 - HB3 LYS 26 - HB2 LYS 17 lone 3 98 - 3 - QB ALA 72 - HB3 LYS 31 lone 3 61 - 5 - HB3 LYS 26 - HB3 LYS 17 lone 3 98 - 3 - HB2 LEU 85 - HB2 LYS 17 lone 3 100 - 3 - HB2 LEU 85 - HB3 LYS 17 lone 3 100 - 3 - HB3 LEU 87 - HB3 LYS 31 lone 3 49 - 5 - ~4599=1 HB3 LEU 87 - HB2 LYS 17 lone 2 76 - 3 - HB3 LEU 87 - HB3 LYS 17 lone 2 76 - 2 - HB2 ARG 45 - HB2 LYS 17 lone 2 100 - 2 - HB2 ARG 45 - HB3 LYS 17 lone 2 100 - 2 - HB2 LEU 85 - HB3 LYS 31 lone 1 73 - 2 - HD3 LYS 64 - HB3 LYS 31 lone 1 62 - 2 - Peak 1357 from cnoeabs.peaks (2.85, 1.72, 34.03 ppm; 4.01 A): 4 out of 24 assignments used, quality = 1.00: * HE2 LYS 17 + HB3 LYS 17 OK 95 100 - 95 - 5.0=51, 1377/2.9=12...(47) HE2 LYS 17 + HB2 LYS 17 OK 95 100 - 95 - 5.0=51, 1377/2.9=12...(47) HE3 LYS 17 + HB3 LYS 17 OK 92 97 - 94 - 5.0=51, 1377/2.9=11...(43) HE3 LYS 17 + HB2 LYS 17 OK 92 97 - 94 - 5.0=51, 1377/2.9=11...(43) HB3 TYR 32 - HB3 LYS 31 OK 45 69 - 65 - 2020/4.1=24, ~4597=13...(14) HB2 ASN 18 - HB3 LYS 17 OK 30 95 - 31 - 3.9/45=9, 4339/3.0=5...(12) HB2 ASN 18 - HB2 LYS 17 OK 30 94 - 31 - 3.9/45=9, 4339/3.0=5...(12) HB3 ASN 18 - HB3 LYS 17 OK 29 93 - 31 - 3.9/45=9, 4339/3.0=5...(12) HB3 ASN 18 - HB2 LYS 17 OK 29 93 - 31 - 3.9/45=9, 4339/3.0=5...(12) HB3 TYR 32 - HB2 LYS 17 OK 16 97 - 16 - 4618=3, 4618/1.8=3...(8) HB3 TYR 32 - HB3 LYS 17 OK 16 97 - 16 - 4618=3, 4618/1.8=3...(8) HB3 ASN 63 - HB2 LYS 17 lone 8 90 - 8 - 2815/4.0=2, 1337/3.0=1 HB3 ASN 63 - HB3 LYS 17 lone 8 90 - 8 - 2815/4.0=2, 1337/3.0=1 HE2 LYS 17 - HB3 LYS 31 lone 6 74 - 9 - 652/4.1=2 HE3 LYS 17 - HB3 LYS 31 lone 6 69 - 8 - 652/4.1=2 HB3 ASN 24 - HB2 LYS 17 lone 6 97 - 6 - 4339/3.0=1 HB3 ASN 24 - HB3 LYS 17 lone 6 97 - 6 - 4339/3.0=1 HB3 ASN 24 - HB3 LYS 31 lone 5 67 - 7 - 652/4.1=2 HB2 ASN 90 - HB3 LYS 17 lone 2 93 - 3 - HB2 ASN 90 - HB2 LYS 17 lone 2 93 - 3 - HB3 ASN 63 - HB3 LYS 31 lone 2 61 - 4 - 652/4.1=1 HB2 ASN 18 - HB3 LYS 31 lone 2 65 - 4 - 652/4.1=1 HB3 ASN 18 - HB3 LYS 31 lone 2 64 - 4 - 652/4.1=1 HB2 ASN 90 - HB3 LYS 31 lone 1 64 - 2 - Peak 1358 from cnoeabs.peaks (2.86, 1.72, 34.03 ppm; 4.01 A): 5 out of 30 assignments used, quality = 1.00: * HE3 LYS 17 + HB3 LYS 17 OK 94 100 - 94 - 5.0=51, 1404/2.9=11...(43) HE3 LYS 17 + HB2 LYS 17 OK 94 100 - 94 - 5.0=51, 1404/2.9=11...(43) HE2 LYS 17 + HB3 LYS 17 OK 92 97 - 95 - 5.0=51, 1404/2.9=11...(47) HE2 LYS 17 + HB2 LYS 17 OK 92 97 - 95 - 5.0=51, 1404/2.9=11...(47) HB3 TYR 32 + HB3 LYS 31 OK 49 74 - 66 - 2020/4.1=25, ~4597=13...(14) HB3 ASN 18 - HB3 LYS 17 OK 32 100 - 32 - 3.9/45=9, 4339/3.0=6...(12) HB3 ASN 18 - HB2 LYS 17 OK 32 100 - 32 - 3.9/45=9, 4339/3.0=6...(12) HB2 ASN 18 - HB3 LYS 17 OK 32 100 - 32 - 3.9/45=9, 4339/3.0=6...(12) HB2 ASN 18 - HB2 LYS 17 OK 32 100 - 32 - 3.9/45=9, 4339/3.0=6...(12) HE2 LYS 65 - HB2 LYS 17 OK 25 71 - 36 - 3.8/2940=4, 3.8/2950=3...(19) HE2 LYS 65 - HB3 LYS 17 OK 25 71 - 36 - 3.8/2940=4, 3.8/2950=3...(19) HE3 LYS 65 - HB2 LYS 17 OK 21 60 - 36 - 3.8/2940=4, 3.8/2950=3...(20) HE3 LYS 65 - HB3 LYS 17 OK 21 60 - 36 - 3.8/2940=4, 3.8/2950=3...(20) HB3 TYR 32 - HB2 LYS 17 OK 16 100 - 16 - 4618=3, 4618/1.8=3...(8) HB3 TYR 32 - HB3 LYS 17 OK 16 100 - 16 - 4618=3, 4618/1.8=3...(8) HB3 ASN 63 - HB2 LYS 17 lone 9 99 - 9 - 2815/4.0=2, 1338/3.0=1 HB3 ASN 63 - HB3 LYS 17 lone 9 99 - 9 - 2815/4.0=2, 1338/3.0=1 HE3 LYS 17 - HB3 LYS 31 lone 6 74 - 9 - 652/4.1=2 HE2 LYS 17 - HB3 LYS 31 lone 6 69 - 9 - 652/4.1=2 HB3 ASN 24 - HB2 LYS 17 lone 6 100 - 6 - 4339/3.0=1 HB3 ASN 24 - HB3 LYS 17 lone 6 100 - 6 - 4339/3.0=1 HB3 ASN 24 - HB3 LYS 31 lone 5 74 - 7 - 652/4.1=2 HB3 ASN 63 - HB3 LYS 31 lone 3 72 - 4 - 652/4.1=1 HB2 ASN 18 - HB3 LYS 31 lone 3 73 - 4 - 652/4.1=1 HB3 ASN 18 - HB3 LYS 31 lone 3 73 - 4 - 652/4.1=1 HB2 ASN 90 - HB2 LYS 17 lone 2 73 - 2 - HB2 ASN 90 - HB3 LYS 17 lone 2 73 - 2 - HE2 LYS 65 - HB3 LYS 31 lone 1 45 - 3 - HE3 LYS 65 - HB3 LYS 31 lone 1 37 - 2 - HB2 ASN 90 - HB3 LYS 31 lone 1 47 - 2 - Peak 1359 from cnoeabs.peaks (7.60, 1.24, 24.91 ppm; 4.00 A): 4 out of 8 assignments used, quality = 0.94: * H LYS 17 + HG2 LYS 17 OK 88 100 - 88 - 4.8=59, 3.0/1333=19...(17) H VAL 20 + HG2 LYS 17 OK 36 100 - 36 - 1329/3.9=6, 42/4.9=4...(13) H LYS 17 + QD1 LEU 34 OK 16 76 - 21 - 3.0/1360=4, 554=4...(9) HD21 ASN 63 + HG2 LYS 17 OK 12 93 - 12 - 1329/3.9=2, 42/4.9=2...(6) H VAL 20 - QD1 LEU 34 poor 9 75 - 13 - 4384/2.1=2, 3.5/2105=1 HD21 ASN 63 - QD1 LEU 34 poor 7 66 - 11 - 5399/2.1=5, ~5401=3 H LYS 44 - QD1 LEU 34 poor 7 44 - 16 - 705/3.1=3, 702/2.1=3...(4) H LYS 44 - HG2 LYS 17 lone 5 68 - 7 - Peak 1360 from cnoeabs.peaks (4.45, 1.24, 24.91 ppm; 4.00 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 17 + HG2 LYS 17 OK 100 100 - 100 - 3.9=100 HA3 GLY 59 - HG2 LYS 17 OK 28 100 - 28 - 5328/3.0=4, 5328/3.0=4...(11) HA LYS 17 - QD1 LEU 34 OK 21 76 - 28 - 1333=5, 1335/2.1=3...(8) HB THR 13 - HG2 LYS 17 poor 9 60 - 15 - ~4317=3, 551/4.8=3...(5) HA3 GLY 59 - QD1 LEU 34 lone 5 74 - 6 - 5328/2.1=1 HB THR 13 - QD1 LEU 34 lone 1 38 - 2 - Peak 1361 from cnoeabs.peaks (1.72, 1.24, 24.91 ppm; 3.14 A): 2 out of 16 assignments used, quality = 1.00: * HB2 LYS 17 + HG2 LYS 17 OK 100 100 - 100 - 2.9=100 HB3 LYS 17 + HG2 LYS 17 OK 100 100 - 100 - 2.9=100 HB3 LYS 65 - HG2 LYS 17 OK 34 93 - 37 - 2932/1.8=3, 3.0/1364=3...(17) HB2 LYS 17 - QD1 LEU 34 OK 20 76 - 26 - 3.0/1360=2, 1343=2...(9) HB3 LYS 17 - QD1 LEU 34 OK 20 76 - 26 - 3.0/1360=2, 1353=2...(9) HB3 MET 48 - QD1 LEU 34 OK 18 36 - 49 - 3.0/4673=8, 3.0/4692=8...(19) HB3 ARG 27 - QD1 LEU 34 OK 10 50 - 21 - 1778/3.1=2, ~1770=2...(10) HB3 MET 48 - HG2 LYS 17 poor 9 57 - 15 - 3.0/4673=2, 3.0/4692=2 HB3 ARG 27 - HG2 LYS 17 lone 7 76 - 9 - HB3 LYS 31 - HG2 LYS 17 lone 6 81 - 7 - HG2 LYS 78 - HG2 LYS 17 lone 5 83 - 6 - HB3 LYS 31 - QD1 LEU 34 lone 3 54 - 6 - HB3 GLN 55 - HG2 LYS 17 lone 3 63 - 5 - HB3 LYS 65 - QD1 LEU 34 lone 3 66 - 4 - HG2 LYS 78 - QD1 LEU 34 lone 2 56 - 4 - HB3 GLN 55 - QD1 LEU 34 lone 1 40 - 2 - Peak 1362 from cnoeabs.peaks (1.72, 1.24, 24.91 ppm; 3.14 A): 2 out of 16 assignments used, quality = 1.00: * HB3 LYS 17 + HG2 LYS 17 OK 100 100 - 100 - 2.9=100 HB2 LYS 17 + HG2 LYS 17 OK 100 100 - 100 - 2.9=100 HB3 LYS 65 - HG2 LYS 17 OK 33 92 - 37 - 2932/1.8=3, 3.0/1364=3...(17) HB2 LYS 17 - QD1 LEU 34 OK 20 76 - 26 - 3.0/1360=2, 1343=2...(9) HB3 LYS 17 - QD1 LEU 34 OK 20 76 - 26 - 3.0/1360=2, 1353=2...(9) HB3 ARG 27 - QD1 LEU 34 OK 11 52 - 21 - 1778/3.1=2, ~1770=2...(10) HB3 ARG 27 - HG2 LYS 17 lone 7 78 - 9 - HB3 LYS 31 - HG2 LYS 17 lone 6 83 - 7 - HG2 LYS 78 - HG2 LYS 17 lone 5 85 - 6 - HB3 LYS 31 - QD1 LEU 34 lone 3 56 - 6 - HB3 GLN 55 - HG2 LYS 17 lone 3 60 - 5 - HG2 LYS 78 - QD1 LEU 34 lone 2 58 - 4 - HB2 LEU 30 - HG2 LYS 17 lone 2 60 - 4 - HB3 LYS 65 - QD1 LEU 34 lone 2 64 - 4 - HB2 LEU 30 - QD1 LEU 34 lone 1 38 - 4 - HB3 GLN 55 - QD1 LEU 34 lone 1 38 - 2 - Peak 1363 from cnoeabs.peaks (1.24, 1.24, 24.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 17 + HG2 LYS 17 OK 100 100 - 100 QD1 LEU 34 + QD1 LEU 34 OK 52 52 - 100 Peak 1364 from cnoeabs.peaks (1.27, 1.24, 24.91 ppm; 2.40 A): 1 out of 16 assignments used, quality = 1.00: * HG3 LYS 17 + HG2 LYS 17 OK 100 100 - 100 - 1.8=100 HG3 LYS 56 - HG2 LYS 17 OK 26 98 - 27 - ~2644=2, 1334/3.9=2...(12) HG3 LYS 56 - QD1 LEU 34 OK 24 71 - 34 - 2653/2.1=5, 1.8/2108=3...(14) HG3 LYS 65 - HG2 LYS 17 OK 20 99 - 21 - ~2942=2, 1.8/2942=2...(7) HG3 LYS 17 - QD1 LEU 34 OK 12 76 - 16 - 2653/2.1=1, ~2102=1 HB3 LEU 23 - HG2 LYS 17 lone 9 97 - 10 - HB3 LYS 68 - HG2 LYS 17 poor 9 78 - 11 - HD3 LYS 44 - QD1 LEU 34 poor 7 56 - 12 - ~2099=1, ~4669=1...(5) HB2 LEU 79 - HG2 LYS 17 lone 5 85 - 6 - HB3 LYS 68 - QD1 LEU 34 lone 5 52 - 9 - 1.8/3040=1 HD3 LYS 44 - HG2 LYS 17 lone 2 83 - 3 - HG3 LYS 31 - HG2 LYS 17 lone 2 60 - 4 - HG3 LYS 65 - QD1 LEU 34 lone 2 73 - 2 - HB3 LEU 23 - QD1 LEU 34 lone 1 69 - 2 - HG3 LYS 31 - QD1 LEU 34 lone 1 38 - 2 - HB2 LEU 79 - QD1 LEU 34 lone 0 58 - 1 - Peak 1365 from cnoeabs.peaks (1.51, 1.24, 24.91 ppm; 2.88 A): 3 out of 28 assignments used, quality = 1.00: HD3 LYS 17 + HG2 LYS 17 OK 97 100 - 97 - 3.0=93, 3.0/1403=6...(31) * HD2 LYS 17 + HG2 LYS 17 OK 97 100 - 97 - 3.0=93, 3.0/1403=6...(31) HG LEU 34 + QD1 LEU 34 OK 74 74 - 100 - 2.1=100 HB2 LYS 56 - HG2 LYS 17 OK 41 99 - 42 - 2624/1.8=4, 2.9/1364=3...(17) HB2 LYS 56 - QD1 LEU 34 OK 39 72 - 54 - 2623/2.1=7, ~2633=5...(29) HD2 LYS 56 - HG2 LYS 17 OK 29 76 - 38 - 3.0/1364=3, 1383=3...(16) HD2 LYS 56 - QD1 LEU 34 OK 26 50 - 52 - ~2673=5, 2100/2.1=4...(29) HG LEU 34 - HG2 LYS 17 OK 23 99 - 23 - 2.1/2102=2, 2095=2...(6) HD3 LYS 64 - QD1 LEU 34 OK 20 64 - 31 - 2.9/4677=3, ~4669=3...(11) HD2 LYS 17 - QD1 LEU 34 OK 19 76 - 25 - 1383=2, 2100/2.1=2...(7) HD3 LYS 17 - QD1 LEU 34 OK 19 76 - 25 - 1393=2, 2100/2.1=2...(7) HG2 GLU 37 - QD1 LEU 34 OK 15 73 - 21 - 3.8/6196=4, 4776/2.1=3...(9) HG3 ARG 27 - QD1 LEU 34 OK 15 71 - 21 - 1794/3.1=3, ~2092=2...(8) HB3 LYS 26 - QD1 LEU 34 OK 13 71 - 19 - 3.6/4676=2, 3.6/4676=1...(5) QB ALA 72 - HG2 LYS 17 OK 11 90 - 12 - 5672/1.8=2, 5693/4.8=2 HG3 ARG 27 - HG2 LYS 17 lone 8 98 - 8 - QB ALA 71 - HG2 LYS 17 lone 7 97 - 7 - HD3 LYS 64 - HG2 LYS 17 lone 6 92 - 7 - QB ALA 71 - QD1 LEU 34 lone 6 69 - 8 - HG2 GLU 37 - HG2 LYS 17 lone 4 99 - 4 - HB3 LYS 26 - HG2 LYS 17 lone 3 98 - 3 - QB ALA 72 - QD1 LEU 34 lone 3 63 - 5 - HB2 ARG 45 - QD1 LEU 34 lone 3 76 - 4 - HB2 LEU 85 - QD1 LEU 34 lone 2 75 - 3 - HB2 LEU 85 - HG2 LYS 17 lone 2 100 - 2 - HB2 ARG 45 - HG2 LYS 17 lone 2 100 - 1 - HB3 LEU 87 - HG2 LYS 17 lone 1 76 - 2 - HB3 LEU 87 - QD1 LEU 34 lone 1 50 - 2 - Peak 1366 from cnoeabs.peaks (1.51, 1.24, 24.91 ppm; 2.88 A): 3 out of 28 assignments used, quality = 1.00: * HD3 LYS 17 + HG2 LYS 17 OK 97 100 - 97 - 3.0=93, 3.0/1403=6...(31) HD2 LYS 17 + HG2 LYS 17 OK 97 100 - 97 - 3.0=93, 3.0/1403=6...(31) HG LEU 34 + QD1 LEU 34 OK 74 74 - 100 - 2.1=100 HB2 LYS 56 - HG2 LYS 17 OK 41 99 - 42 - 2624/1.8=4, 2.9/1364=3...(17) HB2 LYS 56 - QD1 LEU 34 OK 39 72 - 54 - 2623/2.1=7, ~2633=5...(29) HD2 LYS 56 - HG2 LYS 17 OK 29 76 - 38 - 3.0/1364=3, 1383=3...(16) HD2 LYS 56 - QD1 LEU 34 OK 26 50 - 52 - ~2673=5, 2100/2.1=4...(29) HG LEU 34 - HG2 LYS 17 OK 23 99 - 23 - 2.1/2102=2, 2095=2...(6) HD3 LYS 64 - QD1 LEU 34 OK 20 64 - 31 - 2.9/4677=3, ~4669=3...(11) HD2 LYS 17 - QD1 LEU 34 OK 19 76 - 25 - 1383=2, 2100/2.1=2...(7) HD3 LYS 17 - QD1 LEU 34 OK 19 76 - 25 - 1393=2, 2100/2.1=2...(7) HG2 GLU 37 - QD1 LEU 34 OK 15 73 - 21 - 3.8/6196=4, 4776/2.1=3...(9) HG3 ARG 27 - QD1 LEU 34 OK 15 71 - 21 - 1794/3.1=3, ~2092=2...(8) HB3 LYS 26 - QD1 LEU 34 OK 13 71 - 19 - 3.6/4676=2, 3.6/4676=1...(5) QB ALA 72 - HG2 LYS 17 OK 11 90 - 12 - 5672/1.8=2, 5693/4.8=2 HG3 ARG 27 - HG2 LYS 17 lone 8 98 - 8 - QB ALA 71 - HG2 LYS 17 lone 7 97 - 7 - HD3 LYS 64 - HG2 LYS 17 lone 6 92 - 7 - QB ALA 71 - QD1 LEU 34 lone 6 69 - 8 - HG2 GLU 37 - HG2 LYS 17 lone 4 99 - 4 - HB3 LYS 26 - HG2 LYS 17 lone 3 98 - 3 - QB ALA 72 - QD1 LEU 34 lone 3 63 - 5 - HB2 ARG 45 - QD1 LEU 34 lone 3 76 - 4 - HB2 LEU 85 - QD1 LEU 34 lone 2 75 - 3 - HB2 LEU 85 - HG2 LYS 17 lone 2 100 - 2 - HB2 ARG 45 - HG2 LYS 17 lone 2 100 - 1 - HB3 LEU 87 - HG2 LYS 17 lone 1 76 - 2 - HB3 LEU 87 - QD1 LEU 34 lone 1 50 - 2 - Peak 1367 from cnoeabs.peaks (2.85, 1.24, 24.91 ppm; 3.45 A): 2 out of 16 assignments used, quality = 0.99: * HE2 LYS 17 + HG2 LYS 17 OK 92 100 - 92 - 3.9=67, 1404/1.8=12...(41) HE3 LYS 17 + HG2 LYS 17 OK 89 97 - 91 - 3.9=67, 1.8/1403=12...(38) HB2 ASN 18 - HG2 LYS 17 OK 16 95 - 17 - 1425/4.9=5, 4339/3.9=3...(4) HB3 ASN 18 - HG2 LYS 17 OK 16 93 - 17 - 1425/4.9=5, 4339/3.9=3...(4) HB3 TYR 32 - HG2 LYS 17 OK 13 97 - 14 - 2.5/4610=2, 4618/2.9=2...(5) HE2 LYS 17 - QD1 LEU 34 OK 13 76 - 17 - 1403=2, 1.8/1403=1...(6) HE3 LYS 17 - QD1 LEU 34 OK 12 70 - 17 - 1403=2, 1.8/1403=2...(6) HB3 TYR 32 - QD1 LEU 34 poor 8 70 - 12 - 4.7/4700=2, 2021/4.0=2...(6) HB3 ASN 24 - HG2 LYS 17 lone 6 97 - 6 - 3.7/80=1 HB3 ASN 63 - HG2 LYS 17 lone 5 90 - 6 - 3.5/1359=1, 2815/4.8=1 HB2 ASN 18 - QD1 LEU 34 lone 3 67 - 4 - 3.9/46=2 HB3 ASN 18 - QD1 LEU 34 lone 3 66 - 4 - 3.9/46=2 HB3 ASN 63 - QD1 LEU 34 lone 2 63 - 3 - HB3 ASN 24 - QD1 LEU 34 lone 2 69 - 3 - HB2 ASN 90 - HG2 LYS 17 lone 2 93 - 2 - HB2 ASN 90 - QD1 LEU 34 lone 1 66 - 2 - Peak 1368 from cnoeabs.peaks (2.86, 1.24, 24.91 ppm; 3.45 A): 2 out of 20 assignments used, quality = 0.99: * HE3 LYS 17 + HG2 LYS 17 OK 91 100 - 91 - 3.9=67, 1.8/1403=12...(38) HE2 LYS 17 + HG2 LYS 17 OK 89 97 - 92 - 3.9=67, 1404/1.8=12...(41) HB2 ASN 18 - HG2 LYS 17 OK 17 100 - 17 - 1431/4.9=5, 4339/3.9=3...(5) HB3 ASN 18 - HG2 LYS 17 OK 17 100 - 17 - 1431/4.9=5, 4339/3.9=3 HE2 LYS 65 - HG2 LYS 17 OK 17 71 - 24 - 3.8/1364=2, 3.8/2942=2...(8) HE3 LYS 65 - HG2 LYS 17 OK 14 60 - 24 - 3.8/1364=2, 3.8/2942=2...(8) HB3 TYR 32 - HG2 LYS 17 OK 14 100 - 14 - 2.5/4610=2, 4618/2.9=2...(5) HE3 LYS 17 - QD1 LEU 34 OK 13 76 - 17 - 1403=2, 1.8/1403=2...(6) HE2 LYS 17 - QD1 LEU 34 OK 12 70 - 17 - 1403=2, 1.8/1403=1...(6) HB3 TYR 32 - QD1 LEU 34 poor 9 76 - 12 - 4.7/4700=2, 2021/4.0=2...(6) HB3 ASN 63 - HG2 LYS 17 lone 6 99 - 6 - 2815/4.8=1, 3.5/1359=1 HB3 ASN 24 - HG2 LYS 17 lone 6 100 - 6 - 3.7/80=1 HB2 ASN 18 - QD1 LEU 34 lone 3 75 - 4 - 3.9/46=2 HB3 ASN 18 - QD1 LEU 34 lone 3 75 - 4 - 3.9/46=2 HB3 ASN 63 - QD1 LEU 34 lone 3 74 - 4 - HB3 ASN 24 - QD1 LEU 34 lone 2 76 - 3 - HB2 ASN 90 - HG2 LYS 17 lone 1 73 - 2 - HE2 LYS 65 - QD1 LEU 34 lone 1 46 - 2 - HE3 LYS 65 - QD1 LEU 34 lone 1 38 - 2 - HB2 ASN 90 - QD1 LEU 34 lone 1 48 - 1 - Peak 1369 from cnoeabs.peaks (7.60, 1.27, 24.91 ppm; 4.81 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 4.8=100 H VAL 20 + HG3 LYS 17 OK 46 100 - 46 - 1329/3.9=8, 42/4.9=6...(13) H LYS 17 - HG3 LYS 56 OK 29 59 - 49 - 555=10, 3.0/1334=8...(17) H VAL 20 - HG3 LYS 56 OK 18 58 - 32 - 4384/2.9=5, 4383/2.9=5...(8) HD21 ASN 63 - HG3 LYS 17 OK 16 93 - 16 - 1329/3.9=3, 42/4.9=2...(8) H LYS 44 - HG3 LYS 56 OK 15 33 - 45 - 3.0/2253=6, 4.0/2273=5...(15) H LYS 44 - HG3 LYS 17 poor 8 68 - 11 - HD21 ASN 63 - HG3 LYS 56 poor 5 50 - 10 - 5399/1.8=3, ~5401=2 Peak 1370 from cnoeabs.peaks (4.45, 1.27, 24.91 ppm; 3.87 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 3.9=100 HA3 GLY 59 - HG3 LYS 17 OK 25 100 - 25 - 5328/3.0=4, 5328/3.0=4...(10) HA LYS 17 - HG3 LYS 56 OK 24 59 - 42 - 1334=10, 3.0/555=5...(13) HB THR 13 - HG3 LYS 17 poor 8 60 - 14 - ~4317=3, 551/4.8=2...(5) HA3 GLY 59 - HG3 LYS 56 lone 4 58 - 6 - 5223/2.9=1 HB THR 13 - HG3 LYS 56 lone 1 29 - 2 - Peak 1371 from cnoeabs.peaks (1.72, 1.27, 24.91 ppm; 3.02 A): 2 out of 16 assignments used, quality = 1.00: * HB2 LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 2.9=100 HB3 LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 2.9=100 HB3 LYS 65 - HG3 LYS 17 OK 34 93 - 37 - 1.8/2922=4, 3.0/2942=4...(18) HB2 LYS 17 - HG3 LYS 56 OK 24 59 - 41 - 3.0/1334=4, 1344=4...(18) HB3 LYS 17 - HG3 LYS 56 OK 24 59 - 41 - 3.0/1334=4, 1344=4...(18) HB3 LYS 65 - HG3 LYS 56 poor 9 50 - 19 - 1.8/2922=2, 3.0/2942=2...(5) HB3 MET 48 - HG3 LYS 17 poor 7 57 - 13 - ~4692=2, ~4673=2 HB3 LYS 31 - HG3 LYS 56 poor 6 41 - 15 - 1.8/1933=1, ~1932=1...(4) HB3 ARG 27 - HG3 LYS 17 lone 6 76 - 8 - HB3 ARG 27 - HG3 LYS 56 poor 6 38 - 15 - 1778/3.0=1, 1779/3.0=1 HB3 LYS 31 - HG3 LYS 17 lone 6 81 - 7 - HB3 GLN 55 - HG3 LYS 56 poor 5 30 - 16 - 4.6/763=4, ~5224=3...(6) HG2 LYS 78 - HG3 LYS 17 lone 4 83 - 5 - HB3 GLN 55 - HG3 LYS 17 lone 4 63 - 6 - 4.6/763=2 HB3 MET 48 - HG3 LYS 56 poor 3 27 - 11 - ~4777=1 HG2 LYS 78 - HG3 LYS 56 lone 3 42 - 6 - 4090/4.7=1 Peak 1372 from cnoeabs.peaks (1.72, 1.27, 24.91 ppm; 3.02 A): 2 out of 16 assignments used, quality = 1.00: * HB3 LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 2.9=100 HB2 LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 2.9=100 HB3 LYS 65 - HG3 LYS 17 OK 34 92 - 37 - 1.8/2922=4, 3.0/2942=4...(18) HB3 LYS 17 - HG3 LYS 56 OK 24 59 - 41 - 3.0/1334=4, 1344=4...(18) HB2 LYS 17 - HG3 LYS 56 OK 24 59 - 41 - 3.0/1334=4, 1344=4...(18) HB3 LYS 65 - HG3 LYS 56 poor 9 49 - 19 - 1.8/2922=2, 3.0/2942=2...(5) HB3 LYS 31 - HG3 LYS 56 poor 7 42 - 16 - 1.8/1933=1, ~1932=1...(4) HB3 ARG 27 - HG3 LYS 17 lone 7 78 - 8 - HB3 ARG 27 - HG3 LYS 56 poor 6 39 - 16 - 1778/3.0=1, 1779/3.0=1 HB3 LYS 31 - HG3 LYS 17 lone 6 83 - 7 - HB3 GLN 55 - HG3 LYS 56 poor 5 29 - 16 - 4.6/763=4, ~5224=3...(6) HG2 LYS 78 - HG3 LYS 17 lone 4 85 - 5 - HB3 GLN 55 - HG3 LYS 17 lone 3 60 - 6 - 4.6/763=2 HG2 LYS 78 - HG3 LYS 56 lone 3 44 - 7 - 4090/4.7=1 HB2 LEU 30 - HG3 LYS 17 lone 2 60 - 3 - HB2 LEU 30 - HG3 LYS 56 lone 1 29 - 3 - Peak 1373 from cnoeabs.peaks (1.24, 1.27, 24.91 ppm; 2.40 A): 1 out of 18 assignments used, quality = 1.00: * HG2 LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 1.8=100 HG2 LYS 17 - HG3 LYS 56 OK 16 59 - 27 - 2108/1.8=2, ~2644=2...(12) HG3 LYS 65 - HG3 LYS 17 OK 15 71 - 22 - 1.8/2942=4, 3.0/2922=2...(7) HD3 LYS 68 - HG3 LYS 17 OK 14 96 - 15 - HD2 LYS 68 - HG3 LYS 17 OK 14 95 - 15 - QD1 LEU 34 - HG3 LYS 56 OK 13 39 - 32 - 2108/1.8=4, ~2094=3...(14) QD1 LEU 34 - HG3 LYS 17 OK 12 78 - 15 - ~2102=1 HB3 LEU 23 - HG3 LYS 17 poor 9 81 - 11 - 1.8/1588=1, 3.1/1609=1 HD3 LYS 68 - HG3 LYS 56 poor 8 53 - 15 - 3.0/3056=1, 3.0/3066=1 HD2 LYS 68 - HG3 LYS 56 poor 8 52 - 15 - 3.0/3056=1, 3.0/3066=1 HB2 LEU 79 - HG3 LYS 17 lone 6 95 - 6 - HG13 ILE 35 - HG3 LYS 17 lone 4 98 - 4 - HB2 LEU 79 - HG3 LYS 56 lone 3 52 - 7 - 3384/4.7=1 HG3 LYS 65 - HG3 LYS 56 lone 3 35 - 8 - 1.8/2942=2 HB3 LEU 23 - HG3 LYS 56 lone 2 41 - 6 - HG13 ILE 35 - HG3 LYS 56 lone 1 55 - 1 - QG2 THR 83 - HG3 LYS 17 lone 1 68 - 1 - QG2 THR 83 - HG3 LYS 56 lone 0 33 - 0 - Peak 1374 from cnoeabs.peaks (1.27, 1.27, 24.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 17 + HG3 LYS 17 OK 100 100 - 100 HG3 LYS 56 + HG3 LYS 56 OK 55 55 - 100 Peak 1375 from cnoeabs.peaks (1.51, 1.27, 24.91 ppm; 3.04 A): 4 out of 28 assignments used, quality = 1.00: HD3 LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 3.0=100 * HD2 LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 3.0=100 HB2 LYS 56 + HG3 LYS 56 OK 56 56 - 100 - 2.9=100 HB2 LYS 56 + HG3 LYS 17 OK 48 99 - 49 - 2624=6, 1.8/2634=4...(18) HD2 LYS 56 - HG3 LYS 56 OK 38 38 - 100 - 3.0=100 HD2 LYS 56 - HG3 LYS 17 OK 33 76 - 44 - 1.8/2674=5, 3.0/2644=4...(19) HG LEU 34 - HG3 LYS 56 OK 31 57 - 54 - 2094/1.8=8, 2671/3.0=4...(27) HD2 LYS 17 - HG3 LYS 56 OK 30 59 - 51 - 2641/1.8=4, 1384=4...(30) HD3 LYS 17 - HG3 LYS 56 OK 30 59 - 51 - 2641/1.8=4, 1384=4...(30) HG LEU 34 - HG3 LYS 17 OK 25 99 - 25 - 2095/1.8=3, 2.1/1364=2...(8) QB ALA 72 - HG3 LYS 17 OK 12 90 - 14 - 5672=3, 5693/4.8=2, 5672/1.8=2 HG3 ARG 27 - HG3 LYS 56 OK 10 55 - 18 - 1794/3.0=2, 2641/1.8=2...(4) HG3 ARG 27 - HG3 LYS 17 lone 9 98 - 9 - HD3 LYS 64 - HG3 LYS 56 poor 7 49 - 15 - 2879/2.9=2, 2641/1.8=1, ~2869=1 QB ALA 71 - HG3 LYS 56 poor 7 54 - 12 - 5652/3.6=2, 5652/3.6=1 QB ALA 71 - HG3 LYS 17 lone 6 97 - 7 - 4.2/5672=1 HB3 LYS 26 - HG3 LYS 56 poor 6 55 - 11 - HD3 LYS 64 - HG3 LYS 17 lone 6 92 - 6 - QB ALA 72 - HG3 LYS 56 poor 5 48 - 11 - 5672=2 HG2 GLU 37 - HG3 LYS 56 lone 5 57 - 8 - 4776/1.8=1 HG2 GLU 37 - HG3 LYS 17 lone 3 99 - 3 - HB3 LYS 26 - HG3 LYS 17 lone 3 98 - 3 - HB2 LEU 85 - HG3 LYS 56 lone 2 58 - 4 - HB2 LEU 85 - HG3 LYS 17 lone 2 100 - 2 - HB2 ARG 45 - HG3 LYS 56 lone 2 59 - 3 - HB3 LEU 87 - HG3 LYS 56 lone 2 38 - 5 - HB3 LEU 87 - HG3 LYS 17 lone 1 76 - 2 - HB2 ARG 45 - HG3 LYS 17 lone 1 100 - 1 - Peak 1376 from cnoeabs.peaks (1.51, 1.27, 24.91 ppm; 3.04 A): 4 out of 28 assignments used, quality = 1.00: * HD3 LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 3.0=100 HD2 LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 3.0=100 HB2 LYS 56 + HG3 LYS 56 OK 56 56 - 100 - 2.9=100 HB2 LYS 56 + HG3 LYS 17 OK 48 99 - 49 - 2624=6, 1.8/2634=4...(18) HD2 LYS 56 - HG3 LYS 56 OK 38 38 - 100 - 3.0=100 HD2 LYS 56 - HG3 LYS 17 OK 33 76 - 44 - 1.8/2674=5, 3.0/2644=4...(19) HG LEU 34 - HG3 LYS 56 OK 31 57 - 54 - 2094/1.8=8, 2671/3.0=4...(27) HD2 LYS 17 - HG3 LYS 56 OK 30 59 - 51 - 2641/1.8=4, 1384=4...(30) HD3 LYS 17 - HG3 LYS 56 OK 30 59 - 51 - 2641/1.8=4, 1384=4...(30) HG LEU 34 - HG3 LYS 17 OK 25 99 - 25 - 2095/1.8=3, 2.1/1364=2...(8) QB ALA 72 - HG3 LYS 17 OK 12 90 - 14 - 5672=3, 5693/4.8=2, 5672/1.8=2 HG3 ARG 27 - HG3 LYS 56 OK 10 55 - 18 - 1794/3.0=2, 2641/1.8=2...(4) HG3 ARG 27 - HG3 LYS 17 lone 9 98 - 9 - HD3 LYS 64 - HG3 LYS 56 poor 7 49 - 15 - 2879/2.9=2, 2641/1.8=1, ~2869=1 QB ALA 71 - HG3 LYS 56 poor 7 54 - 12 - 5652/3.6=2, 5652/3.6=1 QB ALA 71 - HG3 LYS 17 lone 6 97 - 7 - 4.2/5672=1 HB3 LYS 26 - HG3 LYS 56 poor 6 55 - 11 - HD3 LYS 64 - HG3 LYS 17 lone 6 92 - 6 - QB ALA 72 - HG3 LYS 56 poor 5 48 - 11 - 5672=2 HG2 GLU 37 - HG3 LYS 56 lone 5 57 - 8 - 4776/1.8=1 HG2 GLU 37 - HG3 LYS 17 lone 3 99 - 3 - HB3 LYS 26 - HG3 LYS 17 lone 3 98 - 3 - HB2 LEU 85 - HG3 LYS 56 lone 2 58 - 4 - HB2 LEU 85 - HG3 LYS 17 lone 2 100 - 2 - HB2 ARG 45 - HG3 LYS 56 lone 2 59 - 3 - HB3 LEU 87 - HG3 LYS 56 lone 2 38 - 5 - HB3 LEU 87 - HG3 LYS 17 lone 1 76 - 2 - HB2 ARG 45 - HG3 LYS 17 lone 1 100 - 1 - Peak 1377 from cnoeabs.peaks (2.85, 1.27, 24.91 ppm; 3.30 A): 2 out of 16 assignments used, quality = 0.98: * HE2 LYS 17 + HG3 LYS 17 OK 88 100 - 88 - 3.9=58, 1.8/1404=11...(42) HE3 LYS 17 + HG3 LYS 17 OK 85 97 - 88 - 3.9=58, 1.8/1404=12...(39) HE2 LYS 17 - HG3 LYS 56 OK 20 59 - 34 - 1404=5, 1.8/1404=4...(15) HE3 LYS 17 - HG3 LYS 56 OK 18 55 - 34 - 1404=4, 1.8/1404=4...(14) HB2 ASN 18 - HG3 LYS 17 OK 14 95 - 15 - 1425/4.9=4, 4339/3.9=3 HB3 ASN 18 - HG3 LYS 17 OK 14 93 - 15 - 1425/4.9=4, 4339/3.9=3 HB3 TYR 32 - HG3 LYS 17 OK 10 97 - 10 - 4618/2.9=1, 4618/2.9=1...(5) HB2 ASN 90 - HG3 LYS 56 poor 7 50 - 13 - 3686/4.0=3, ~2640=2...(4) HB3 ASN 24 - HG3 LYS 17 lone 5 97 - 5 - 3.7/80=2 HB3 ASN 63 - HG3 LYS 17 lone 5 90 - 5 - 2815/4.8=1 HB2 ASN 18 - HG3 LYS 56 lone 3 52 - 5 - 3.9/47=2 HB3 ASN 18 - HG3 LYS 56 lone 2 50 - 5 - 3.9/47=2 HB2 ASN 90 - HG3 LYS 17 lone 2 93 - 2 - HB3 TYR 32 - HG3 LYS 56 lone 1 55 - 3 - HB3 ASN 24 - HG3 LYS 56 lone 1 54 - 2 - HB3 ASN 63 - HG3 LYS 56 lone 1 48 - 2 - Peak 1378 from cnoeabs.peaks (2.86, 1.27, 24.91 ppm; 3.30 A): 2 out of 20 assignments used, quality = 0.98: * HE3 LYS 17 + HG3 LYS 17 OK 87 100 - 87 - 3.9=58, 1.8/1404=12...(39) HE2 LYS 17 + HG3 LYS 17 OK 86 97 - 88 - 3.9=58, 1.8/1404=11...(42) HE3 LYS 17 - HG3 LYS 56 OK 20 59 - 34 - 1404=4, 1.8/1404=4...(14) HE2 LYS 17 - HG3 LYS 56 OK 18 55 - 33 - 1404=4, 1.8/1404=4...(15) HE2 LYS 65 - HG3 LYS 17 OK 18 71 - 25 - 3.8/2942=3, 5.1/2922=2...(10) HB2 ASN 18 - HG3 LYS 17 OK 15 100 - 15 - 1431/4.9=5, 4339/3.9=3 HB3 ASN 18 - HG3 LYS 17 OK 15 100 - 15 - 1431/4.9=5, 4339/3.9=3 HE3 LYS 65 - HG3 LYS 17 OK 15 60 - 25 - 3.8/2942=3, 5.1/2922=2...(9) HB3 TYR 32 - HG3 LYS 17 OK 11 100 - 11 - 4618/2.9=1, 4618/2.9=1...(5) HB3 ASN 63 - HG3 LYS 17 lone 5 99 - 5 - 2815/4.8=1 HB3 ASN 24 - HG3 LYS 17 lone 5 100 - 5 - 3.7/80=2 HB2 ASN 90 - HG3 LYS 56 poor 4 36 - 10 - 3686/4.0=2, ~2640=2...(4) HE2 LYS 65 - HG3 LYS 56 lone 3 35 - 9 - 3.8/2942=2 HB2 ASN 18 - HG3 LYS 56 lone 3 59 - 5 - 3.9/47=2 HB3 ASN 18 - HG3 LYS 56 lone 3 58 - 5 - 3.9/47=2 HE3 LYS 65 - HG3 LYS 56 lone 3 29 - 9 - 3.8/2942=2 HB3 TYR 32 - HG3 LYS 56 lone 2 59 - 3 - HB3 ASN 24 - HG3 LYS 56 lone 1 59 - 2 - HB2 ASN 90 - HG3 LYS 17 lone 1 73 - 2 - HB3 ASN 63 - HG3 LYS 56 lone 1 57 - 2 - Peak 1379 from cnoeabs.peaks (7.60, 1.51, 28.78 ppm; 5.67 A): 4 out of 12 assignments used, quality = 1.00: H LYS 17 + HD3 LYS 17 OK 98 100 - 98 - 6.1=79, 1359/3.0=23...(21) * H LYS 17 + HD2 LYS 17 OK 98 100 - 98 - 6.1=79, 1359/3.0=23...(21) H VAL 20 + HD2 LYS 17 OK 59 100 - 60 - 1359/3.0=9, 1329/5.1=9...(19) H VAL 20 + HD3 LYS 17 OK 59 100 - 60 - 1359/3.0=9, 1329/5.1=9...(19) H LYS 17 - HD2 LYS 56 OK 39 76 - 52 - 555/3.0=9, ~5223=8...(18) H VAL 20 - HD2 LYS 56 OK 24 75 - 32 - 4383/1.8=7, 4383/3.4=6...(8) H LYS 44 - HD2 LYS 56 OK 20 44 - 45 - ~2253=5, 706/3.0=5...(15) HD21 ASN 63 - HD2 LYS 17 OK 20 93 - 21 - 1359/3.0=3, 1329/5.1=3...(8) HD21 ASN 63 - HD3 LYS 17 OK 20 93 - 21 - 1359/3.0=3, 1329/5.1=3...(8) HD21 ASN 63 - HD2 LYS 56 poor 8 66 - 12 - 5399/3.0=3, ~5401=2, 5399/5466=1 H LYS 44 - HD3 LYS 17 poor 7 68 - 10 - 1369/3.0=1, 1359/3.0=1 H LYS 44 - HD2 LYS 17 poor 7 68 - 10 - 1369/3.0=1, 1359/3.0=1 Peak 1380 from cnoeabs.peaks (4.45, 1.51, 28.78 ppm; 4.05 A): 2 out of 9 assignments used, quality = 0.99: * HA LYS 17 + HD2 LYS 17 OK 91 100 - 91 - 5.1=50, 1333/3.0=19...(34) HA LYS 17 + HD3 LYS 17 OK 91 100 - 91 - 5.1=50, 1333/3.0=19...(34) HA3 GLY 59 - HD2 LYS 17 OK 42 100 - 42 - 5328=7, 1360/3.0=5...(13) HA3 GLY 59 - HD3 LYS 17 OK 42 100 - 42 - 5328=7, 1360/3.0=5...(13) HA LYS 17 - HD2 LYS 56 OK 29 76 - 39 - 1334/3.0=7, 5223/3.4=5...(19) HA3 GLY 59 - HD2 LYS 56 poor 9 75 - 12 - 3.0/5315=2, 5328=1...(4) HB THR 13 - HD3 LYS 17 poor 7 60 - 12 - 2.1/4789=2, 551/6.1=2...(7) HB THR 13 - HD2 LYS 17 poor 7 60 - 12 - 2.1/4789=2, 551/6.1=2...(7) HB THR 13 - HD2 LYS 56 lone 1 38 - 2 - Peak 1381 from cnoeabs.peaks (1.72, 1.51, 28.78 ppm; 3.22 A): 4 out of 24 assignments used, quality = 1.00: HB2 LYS 17 + HD3 LYS 17 OK 90 100 - 90 - 3.7=65, 3.0/1380=5...(45) * HB2 LYS 17 + HD2 LYS 17 OK 90 100 - 90 - 3.7=65, 3.0/1390=5...(45) HB3 LYS 17 + HD3 LYS 17 OK 90 100 - 90 - 3.7=65, 3.0/1390=5...(45) HB3 LYS 17 + HD2 LYS 17 OK 90 100 - 90 - 3.7=65, 3.0/1380=5...(45) HB2 LYS 17 - HD2 LYS 56 OK 31 76 - 41 - ~2674=2, 1344/3.0=2...(20) HB3 LYS 17 - HD2 LYS 56 OK 31 76 - 41 - ~2674=2, 1344/3.0=2...(20) HB3 LYS 65 - HD3 LYS 17 OK 28 93 - 30 - 1372/3.0=3, 1362/3.0=3...(8) HB3 LYS 65 - HD2 LYS 17 OK 28 93 - 30 - 1372/3.0=3, 1362/3.0=3...(8) HB3 ARG 27 - HD2 LYS 56 OK 14 50 - 28 - 1.8/1771=2, 2.9/1787=2...(8) HB3 ARG 27 - HD2 LYS 17 OK 11 76 - 14 - 1.8/1771=1 HB3 ARG 27 - HD3 LYS 17 OK 11 76 - 14 - 1.8/1771=1 HB3 MET 48 - HD3 LYS 17 OK 11 57 - 19 - ~4692=2, ~4673=2, 4898=1...(7) HB3 MET 48 - HD2 LYS 17 OK 11 57 - 19 - ~4692=2, ~4673=2, 4898=1...(7) HB3 LYS 65 - HD2 LYS 56 OK 11 66 - 16 - 2932/3.0=1, ~2948=1 HB3 LYS 31 - HD2 LYS 56 poor 10 54 - 18 - ~1932=2, 1942/1.8=2...(6) HB3 GLN 55 - HD2 LYS 56 poor 7 40 - 16 - ~5224=3, 4.6/764=3...(8) HB3 MET 48 - HD2 LYS 56 poor 6 37 - 15 - 4898=1, ~4777=1 HB3 LYS 31 - HD2 LYS 17 lone 5 81 - 6 - HB3 LYS 31 - HD3 LYS 17 lone 5 81 - 6 - HB3 GLN 55 - HD2 LYS 17 lone 4 63 - 7 - 4.6/760=1 HB3 GLN 55 - HD3 LYS 17 lone 4 63 - 7 - 4.6/760=1 HG2 LYS 78 - HD2 LYS 56 lone 4 56 - 7 - 4090/5.8=1 HG2 LYS 78 - HD3 LYS 17 lone 3 83 - 3 - HG2 LYS 78 - HD2 LYS 17 lone 3 83 - 3 - Peak 1382 from cnoeabs.peaks (1.72, 1.51, 28.78 ppm; 3.22 A): 4 out of 24 assignments used, quality = 1.00: * HB3 LYS 17 + HD2 LYS 17 OK 90 100 - 90 - 3.7=65, 3.0/1380=5...(45) HB3 LYS 17 + HD3 LYS 17 OK 90 100 - 90 - 3.7=65, 3.0/1390=5...(45) HB2 LYS 17 + HD2 LYS 17 OK 90 100 - 90 - 3.7=65, 3.0/1390=5...(45) HB2 LYS 17 + HD3 LYS 17 OK 90 100 - 90 - 3.7=65, 3.0/1380=5...(45) HB3 LYS 17 - HD2 LYS 56 OK 31 76 - 41 - ~2674=2, 1344/3.0=2...(20) HB2 LYS 17 - HD2 LYS 56 OK 31 76 - 41 - ~2674=2, 1344/3.0=2...(20) HB3 LYS 65 - HD2 LYS 17 OK 28 92 - 30 - 1372/3.0=3, 1362/3.0=3...(8) HB3 LYS 65 - HD3 LYS 17 OK 28 92 - 30 - 1372/3.0=3, 1362/3.0=3...(8) HB3 ARG 27 - HD2 LYS 56 OK 15 52 - 28 - 1.8/1771=2, 1779=2...(8) HB3 ARG 27 - HD2 LYS 17 OK 11 78 - 14 - 1.8/1771=1 HB3 ARG 27 - HD3 LYS 17 OK 11 78 - 14 - 1.8/1771=1 HB3 LYS 31 - HD2 LYS 56 OK 10 56 - 18 - ~1932=2, 1942/1.8=2...(6) HB3 LYS 65 - HD2 LYS 56 OK 10 64 - 16 - 2932/3.0=1, ~2948=1 HB3 GLN 55 - HD2 LYS 56 poor 6 38 - 16 - ~5224=3, 4.6/764=3...(7) HB3 LYS 31 - HD2 LYS 17 lone 5 83 - 6 - HB3 LYS 31 - HD3 LYS 17 lone 5 83 - 6 - HB3 GLN 55 - HD3 LYS 17 lone 4 60 - 7 - 4.6/760=1 HB3 GLN 55 - HD2 LYS 17 lone 4 60 - 7 - 4.6/760=1 HG2 LYS 78 - HD2 LYS 56 lone 4 58 - 7 - 4090/5.8=1 HG2 LYS 78 - HD3 LYS 17 lone 3 85 - 3 - HG2 LYS 78 - HD2 LYS 17 lone 3 85 - 3 - HB2 LEU 30 - HD2 LYS 56 lone 2 38 - 5 - HB2 LEU 30 - HD2 LYS 17 lone 1 60 - 2 - HB2 LEU 30 - HD3 LYS 17 lone 1 60 - 2 - Peak 1383 from cnoeabs.peaks (1.24, 1.51, 28.78 ppm; 3.03 A): 2 out of 27 assignments used, quality = 1.00: HG2 LYS 17 + HD3 LYS 17 OK 100 100 - 100 - 3.0=100 * HG2 LYS 17 + HD2 LYS 17 OK 100 100 - 100 - 3.0=100 HG2 LYS 17 - HD2 LYS 56 OK 33 76 - 43 - 1364/3.0=3, ~2674=3...(19) QD1 LEU 34 - HD2 LYS 56 OK 31 52 - 59 - ~2673=5, 2108/3.0=4...(33) QD1 LEU 34 - HD2 LYS 17 OK 23 78 - 29 - 2.1/2100=2, 1365=2...(12) QD1 LEU 34 - HD3 LYS 17 OK 23 78 - 29 - 2.1/2100=2, 1366=2...(12) HD3 LYS 68 - HD3 LYS 17 OK 21 96 - 21 - 1373/3.0=2, 1403/3.0=1 HD3 LYS 68 - HD2 LYS 17 OK 21 96 - 21 - 1373/3.0=2, 1403/3.0=1 HD2 LYS 68 - HD2 LYS 17 OK 20 95 - 21 - 1373/3.0=2, 1403/3.0=1 HD2 LYS 68 - HD3 LYS 17 OK 20 95 - 21 - 1373/3.0=2, 1403/3.0=1 HG3 LYS 65 - HD2 LYS 17 OK 19 71 - 27 - 1373/3.0=2, ~2942=2...(7) HG3 LYS 65 - HD3 LYS 17 OK 19 71 - 27 - 1373/3.0=2, ~2942=2...(7) HD3 LYS 68 - HD2 LYS 56 OK 15 68 - 22 - 3086/3.0=1 HD2 LYS 68 - HD2 LYS 56 OK 14 67 - 22 - 3086/3.0=1 HB3 LEU 23 - HD3 LYS 17 OK 12 81 - 14 - 1373/3.0=1 HB3 LEU 23 - HD2 LYS 17 OK 12 81 - 14 - 1373/3.0=1 HG13 ILE 35 - HD3 LYS 17 lone 7 98 - 7 - HG13 ILE 35 - HD2 LYS 17 lone 7 98 - 7 - HB2 LEU 79 - HD2 LYS 56 lone 7 67 - 10 - 3384/5.8=1 HB2 LEU 79 - HD2 LYS 17 lone 6 95 - 6 - HB2 LEU 79 - HD3 LYS 17 lone 6 95 - 6 - HG3 LYS 65 - HD2 LYS 56 lone 4 46 - 9 - HG13 ILE 35 - HD2 LYS 56 lone 4 72 - 5 - HB3 LEU 23 - HD2 LYS 56 lone 3 54 - 6 - QG2 THR 83 - HD3 LYS 17 lone 1 68 - 1 - QG2 THR 83 - HD2 LYS 17 lone 1 68 - 1 - QG2 THR 83 - HD2 LYS 56 lone 0 44 - 1 - Peak 1384 from cnoeabs.peaks (1.27, 1.51, 28.78 ppm; 2.94 A): 5 out of 24 assignments used, quality = 1.00: HG3 LYS 17 + HD3 LYS 17 OK 99 100 - 99 - 3.0=99 * HG3 LYS 17 + HD2 LYS 17 OK 99 100 - 99 - 3.0=99 HG3 LYS 56 + HD2 LYS 56 OK 71 72 - 99 - 3.0=98, 2656/1.8=7...(14) HG3 LYS 56 + HD3 LYS 17 OK 48 98 - 49 - 1.8/2641=4, 3.0/2671=4...(29) HG3 LYS 56 + HD2 LYS 17 OK 48 98 - 49 - 1.8/2641=4, 3.0/2671=4...(29) HG3 LYS 17 - HD2 LYS 56 OK 32 76 - 42 - 2674/1.8=4, 2644/3.0=4...(16) HG3 LYS 65 - HD3 LYS 17 OK 29 99 - 29 - 1364/3.0=2, 2950/3.7=2...(11) HG3 LYS 65 - HD2 LYS 17 OK 29 99 - 29 - 1364/3.0=2, 2950/3.7=2...(11) HD3 LYS 44 - HD2 LYS 56 OK 24 56 - 43 - 2674/1.8=5, 2644/3.0=4...(24) HB3 LEU 23 - HD3 LYS 17 OK 14 97 - 14 - 1364/3.0=1 HB3 LEU 23 - HD2 LYS 17 OK 14 97 - 14 - 1364/3.0=1 HB3 LYS 68 - HD2 LYS 17 OK 12 78 - 15 - 1364/3.0=1 HB3 LYS 68 - HD3 LYS 17 OK 12 78 - 15 - 1364/3.0=1 HB3 LYS 68 - HD2 LYS 56 OK 11 52 - 22 - 2674/1.8=3, 2644/3.0=2...(6) HG3 LYS 65 - HD2 LYS 56 OK 11 73 - 15 - 2653/3.0=2, 2674/1.8=1 HG3 LYS 31 - HD2 LYS 56 poor 7 38 - 18 - 2674/1.8=2, 2644/3.0=2, ~1932=1 HB2 LEU 79 - HD2 LYS 56 poor 7 58 - 11 - 3384/5.8=1 HB3 LEU 23 - HD2 LYS 56 lone 6 70 - 8 - HB2 LEU 79 - HD2 LYS 17 lone 4 85 - 5 - HB2 LEU 79 - HD3 LYS 17 lone 4 85 - 5 - HD3 LYS 44 - HD2 LYS 17 lone 4 83 - 5 - HD3 LYS 44 - HD3 LYS 17 lone 4 83 - 5 - HG3 LYS 31 - HD2 LYS 17 lone 4 60 - 6 - HG3 LYS 31 - HD3 LYS 17 lone 4 60 - 6 - Peak 1385 from cnoeabs.peaks (1.51, 1.51, 28.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 17 + HD3 LYS 17 OK 100 100 - 100 * HD2 LYS 17 + HD2 LYS 17 OK 100 100 - 100 HD2 LYS 56 + HD2 LYS 56 OK 50 50 - 100 Peak 1386 from cnoeabs.peaks (1.51, 1.51, 28.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 17 + HD3 LYS 17 OK 100 100 - 100 HD2 LYS 17 + HD2 LYS 17 OK 100 100 - 100 HD2 LYS 56 + HD2 LYS 56 OK 50 50 - 100 Reference assignment not found: HD3 LYS 17 - HD2 LYS 17 Peak 1387 from cnoeabs.peaks (2.85, 1.51, 28.78 ppm; 2.95 A): 4 out of 24 assignments used, quality = 1.00: HE2 LYS 17 + HD3 LYS 17 OK 100 100 - 100 - 3.0=99, 1406/1.8=7...(26) * HE2 LYS 17 + HD2 LYS 17 OK 100 100 - 100 - 3.0=99, 1406/1.8=7...(26) HE3 LYS 17 + HD3 LYS 17 OK 97 97 - 100 - 3.0=99, 1.8/1406=7...(24) HE3 LYS 17 + HD2 LYS 17 OK 97 97 - 100 - 3.0=99, 1.8/1406=7...(24) HE2 LYS 17 - HD2 LYS 56 OK 20 76 - 27 - 1404/3.0=2, ~2671=2...(6) HE3 LYS 17 - HD2 LYS 56 OK 18 71 - 25 - 1404/3.0=2, ~2671=2...(6) HB3 TYR 32 - HD3 LYS 17 OK 11 97 - 11 - 2.5/4608=1 HB3 TYR 32 - HD2 LYS 17 OK 11 97 - 11 - 2.5/4608=1 HB2 ASN 18 - HD2 LYS 17 OK 10 95 - 11 - 4339/5.1=2, 1367/3.0=1...(4) HB2 ASN 18 - HD3 LYS 17 OK 10 95 - 11 - 4339/5.1=2, 1367/3.0=1...(4) HB3 ASN 18 - HD3 LYS 17 OK 10 93 - 11 - 4339/5.1=2, 1367/3.0=1...(4) HB3 ASN 18 - HD2 LYS 17 OK 10 93 - 11 - 4339/5.1=2, 1367/3.0=1...(4) HB2 ASN 90 - HD2 LYS 56 poor 7 66 - 10 - 3686/5.3=1 HB3 ASN 24 - HD3 LYS 17 lone 4 97 - 4 - HB3 ASN 24 - HD2 LYS 17 lone 4 97 - 4 - HB3 ASN 63 - HD2 LYS 17 lone 3 90 - 3 - HB3 ASN 63 - HD3 LYS 17 lone 3 90 - 3 - HB2 ASN 18 - HD2 LYS 56 lone 2 67 - 3 - HB3 ASN 18 - HD2 LYS 56 lone 2 66 - 3 - HB2 ASN 90 - HD2 LYS 17 lone 2 93 - 2 - HB2 ASN 90 - HD3 LYS 17 lone 2 93 - 2 - HB3 TYR 32 - HD2 LYS 56 lone 1 71 - 2 - HB3 ASN 24 - HD2 LYS 56 lone 1 70 - 1 - HB3 ASN 63 - HD2 LYS 56 lone 1 63 - 2 - Peak 1388 from cnoeabs.peaks (2.86, 1.51, 28.78 ppm; 2.95 A): 4 out of 30 assignments used, quality = 1.00: * HE3 LYS 17 + HD2 LYS 17 OK 100 100 - 100 - 3.0=99, 1.8/1405=7...(24) HE3 LYS 17 + HD3 LYS 17 OK 100 100 - 100 - 3.0=99, 1.8/1405=7...(24) HE2 LYS 17 + HD2 LYS 17 OK 97 97 - 100 - 3.0=99, 1406/1.8=7...(26) HE2 LYS 17 + HD3 LYS 17 OK 97 97 - 100 - 3.0=99, 1406/1.8=7...(26) HE3 LYS 17 - HD2 LYS 56 OK 19 76 - 25 - 1404/3.0=2, ~2671=2...(6) HE2 LYS 17 - HD2 LYS 56 OK 19 71 - 27 - 1404/3.0=2, ~2671=2...(6) HB3 TYR 32 - HD3 LYS 17 OK 11 100 - 11 - 2.5/4608=1 HB3 TYR 32 - HD2 LYS 17 OK 11 100 - 11 - 2.5/4608=1 HB2 ASN 18 - HD2 LYS 17 OK 11 100 - 11 - 4339/5.1=2, 3.9/3826=1 HB2 ASN 18 - HD3 LYS 17 OK 11 100 - 11 - 4339/5.1=2, 3.9/3826=1 HB3 ASN 18 - HD3 LYS 17 OK 11 100 - 11 - 4339/5.1=2, 3.9/3826=1 HB3 ASN 18 - HD2 LYS 17 OK 11 100 - 11 - 4339/5.1=2, 3.9/3826=1 HE2 LYS 65 - HD2 LYS 17 poor 8 71 - 11 - 1378/3.0=1, 1368/3.0=1 HE2 LYS 65 - HD3 LYS 17 poor 8 71 - 11 - 1378/3.0=1, 1368/3.0=1 HE3 LYS 65 - HD3 LYS 17 poor 6 60 - 11 - HE3 LYS 65 - HD2 LYS 17 poor 6 60 - 11 - HB2 ASN 90 - HD2 LYS 56 lone 4 48 - 9 - HB3 ASN 24 - HD3 LYS 17 lone 4 100 - 4 - HB3 ASN 24 - HD2 LYS 17 lone 4 100 - 4 - HB3 ASN 63 - HD2 LYS 17 lone 4 99 - 4 - HB3 ASN 63 - HD3 LYS 17 lone 4 99 - 4 - HB2 ASN 18 - HD2 LYS 56 lone 2 75 - 3 - HB3 ASN 18 - HD2 LYS 56 lone 2 75 - 3 - HE2 LYS 65 - HD2 LYS 56 lone 2 46 - 4 - HB3 TYR 32 - HD2 LYS 56 lone 1 76 - 2 - HE3 LYS 65 - HD2 LYS 56 lone 1 38 - 4 - HB3 ASN 63 - HD2 LYS 56 lone 1 74 - 2 - HB3 ASN 24 - HD2 LYS 56 lone 1 76 - 1 - HB2 ASN 90 - HD3 LYS 17 lone 1 73 - 1 - HB2 ASN 90 - HD2 LYS 17 lone 1 73 - 1 - Peak 1389 from cnoeabs.peaks (7.60, 1.51, 28.78 ppm; 5.67 A): 4 out of 12 assignments used, quality = 1.00: * H LYS 17 + HD3 LYS 17 OK 98 100 - 98 - 6.1=79, 1359/3.0=23...(21) H LYS 17 + HD2 LYS 17 OK 98 100 - 98 - 6.1=79, 1359/3.0=23...(21) H VAL 20 + HD2 LYS 17 OK 59 100 - 60 - 1359/3.0=9, 1329/5.1=9...(19) H VAL 20 + HD3 LYS 17 OK 59 100 - 60 - 1359/3.0=9, 1329/5.1=9...(19) H LYS 17 - HD2 LYS 56 OK 39 76 - 52 - 555/3.0=9, ~5223=8...(18) H VAL 20 - HD2 LYS 56 OK 24 75 - 32 - 4383/1.8=7, 4383/3.4=6...(8) H LYS 44 - HD2 LYS 56 OK 20 44 - 45 - ~2253=5, 706/3.0=5...(15) HD21 ASN 63 - HD2 LYS 17 OK 20 93 - 21 - 1359/3.0=3, 1329/5.1=3...(8) HD21 ASN 63 - HD3 LYS 17 OK 20 93 - 21 - 1359/3.0=3, 1329/5.1=3...(8) HD21 ASN 63 - HD2 LYS 56 poor 8 66 - 12 - 5399/3.0=3, ~5401=2, 5399/5466=1 H LYS 44 - HD3 LYS 17 poor 7 68 - 10 - 1369/3.0=1, 1359/3.0=1 H LYS 44 - HD2 LYS 17 poor 7 68 - 10 - 1369/3.0=1, 1359/3.0=1 Peak 1390 from cnoeabs.peaks (4.45, 1.51, 28.78 ppm; 4.05 A): 2 out of 9 assignments used, quality = 0.99: HA LYS 17 + HD2 LYS 17 OK 91 100 - 91 - 5.1=50, 1333/3.0=19...(34) * HA LYS 17 + HD3 LYS 17 OK 91 100 - 91 - 5.1=50, 1333/3.0=19...(34) HA3 GLY 59 - HD2 LYS 17 OK 42 100 - 42 - 5328=7, 1360/3.0=5...(13) HA3 GLY 59 - HD3 LYS 17 OK 42 100 - 42 - 5328=7, 1360/3.0=5...(13) HA LYS 17 - HD2 LYS 56 OK 29 76 - 39 - 1334/3.0=7, 5223/3.4=5...(19) HA3 GLY 59 - HD2 LYS 56 poor 9 75 - 12 - 3.0/5315=2, 5328=1...(4) HB THR 13 - HD3 LYS 17 poor 7 60 - 12 - 2.1/4789=2, 551/6.1=2...(7) HB THR 13 - HD2 LYS 17 poor 7 60 - 12 - 2.1/4789=2, 551/6.1=2...(7) HB THR 13 - HD2 LYS 56 lone 1 38 - 2 - Peak 1391 from cnoeabs.peaks (1.72, 1.51, 28.78 ppm; 3.22 A): 4 out of 24 assignments used, quality = 1.00: * HB2 LYS 17 + HD3 LYS 17 OK 90 100 - 90 - 3.7=65, 3.0/1380=5...(45) HB2 LYS 17 + HD2 LYS 17 OK 90 100 - 90 - 3.7=65, 3.0/1390=5...(45) HB3 LYS 17 + HD3 LYS 17 OK 90 100 - 90 - 3.7=65, 3.0/1390=5...(45) HB3 LYS 17 + HD2 LYS 17 OK 90 100 - 90 - 3.7=65, 3.0/1380=5...(45) HB2 LYS 17 - HD2 LYS 56 OK 31 76 - 41 - ~2674=2, 1344/3.0=2...(20) HB3 LYS 17 - HD2 LYS 56 OK 31 76 - 41 - ~2674=2, 1344/3.0=2...(20) HB3 LYS 65 - HD3 LYS 17 OK 28 93 - 30 - 1372/3.0=3, 1362/3.0=3...(8) HB3 LYS 65 - HD2 LYS 17 OK 28 93 - 30 - 1372/3.0=3, 1362/3.0=3...(8) HB3 ARG 27 - HD2 LYS 56 OK 14 50 - 28 - 1.8/1771=2, 2.9/1787=2...(8) HB3 ARG 27 - HD2 LYS 17 OK 11 76 - 14 - 1.8/1771=1 HB3 ARG 27 - HD3 LYS 17 OK 11 76 - 14 - 1.8/1771=1 HB3 MET 48 - HD3 LYS 17 OK 11 57 - 19 - ~4692=2, ~4673=2, 4898=1...(7) HB3 MET 48 - HD2 LYS 17 OK 11 57 - 19 - ~4692=2, ~4673=2, 4898=1...(7) HB3 LYS 65 - HD2 LYS 56 OK 11 66 - 16 - 2932/3.0=1, ~2948=1 HB3 LYS 31 - HD2 LYS 56 poor 10 54 - 18 - ~1932=2, 1942/1.8=2...(6) HB3 GLN 55 - HD2 LYS 56 poor 7 40 - 16 - ~5224=3, 4.6/764=3...(8) HB3 MET 48 - HD2 LYS 56 poor 6 37 - 15 - 4898=1, ~4777=1 HB3 LYS 31 - HD2 LYS 17 lone 5 81 - 6 - HB3 LYS 31 - HD3 LYS 17 lone 5 81 - 6 - HB3 GLN 55 - HD2 LYS 17 lone 4 63 - 7 - 4.6/760=1 HB3 GLN 55 - HD3 LYS 17 lone 4 63 - 7 - 4.6/760=1 HG2 LYS 78 - HD2 LYS 56 lone 4 56 - 7 - 4090/5.8=1 HG2 LYS 78 - HD3 LYS 17 lone 3 83 - 3 - HG2 LYS 78 - HD2 LYS 17 lone 3 83 - 3 - Peak 1392 from cnoeabs.peaks (1.72, 1.51, 28.78 ppm; 3.22 A): 4 out of 24 assignments used, quality = 1.00: HB3 LYS 17 + HD2 LYS 17 OK 90 100 - 90 - 3.7=65, 3.0/1380=5...(45) * HB3 LYS 17 + HD3 LYS 17 OK 90 100 - 90 - 3.7=65, 3.0/1390=5...(45) HB2 LYS 17 + HD2 LYS 17 OK 90 100 - 90 - 3.7=65, 3.0/1390=5...(45) HB2 LYS 17 + HD3 LYS 17 OK 90 100 - 90 - 3.7=65, 3.0/1380=5...(45) HB3 LYS 17 - HD2 LYS 56 OK 31 76 - 41 - ~2674=2, 1344/3.0=2...(20) HB2 LYS 17 - HD2 LYS 56 OK 31 76 - 41 - ~2674=2, 1344/3.0=2...(20) HB3 LYS 65 - HD2 LYS 17 OK 28 92 - 30 - 1372/3.0=3, 1362/3.0=3...(8) HB3 LYS 65 - HD3 LYS 17 OK 28 92 - 30 - 1372/3.0=3, 1362/3.0=3...(8) HB3 ARG 27 - HD2 LYS 56 OK 15 52 - 28 - 1.8/1771=2, 1779=2...(8) HB3 ARG 27 - HD2 LYS 17 OK 11 78 - 14 - 1.8/1771=1 HB3 ARG 27 - HD3 LYS 17 OK 11 78 - 14 - 1.8/1771=1 HB3 LYS 31 - HD2 LYS 56 OK 10 56 - 18 - ~1932=2, 1942/1.8=2...(6) HB3 LYS 65 - HD2 LYS 56 OK 10 64 - 16 - 2932/3.0=1, ~2948=1 HB3 GLN 55 - HD2 LYS 56 poor 6 38 - 16 - ~5224=3, 4.6/764=3...(7) HB3 LYS 31 - HD2 LYS 17 lone 5 83 - 6 - HB3 LYS 31 - HD3 LYS 17 lone 5 83 - 6 - HB3 GLN 55 - HD3 LYS 17 lone 4 60 - 7 - 4.6/760=1 HB3 GLN 55 - HD2 LYS 17 lone 4 60 - 7 - 4.6/760=1 HG2 LYS 78 - HD2 LYS 56 lone 4 58 - 7 - 4090/5.8=1 HG2 LYS 78 - HD3 LYS 17 lone 3 85 - 3 - HG2 LYS 78 - HD2 LYS 17 lone 3 85 - 3 - HB2 LEU 30 - HD2 LYS 56 lone 2 38 - 5 - HB2 LEU 30 - HD2 LYS 17 lone 1 60 - 2 - HB2 LEU 30 - HD3 LYS 17 lone 1 60 - 2 - Peak 1393 from cnoeabs.peaks (1.24, 1.51, 28.78 ppm; 3.03 A): 2 out of 27 assignments used, quality = 1.00: * HG2 LYS 17 + HD3 LYS 17 OK 100 100 - 100 - 3.0=100 HG2 LYS 17 + HD2 LYS 17 OK 100 100 - 100 - 3.0=100 HG2 LYS 17 - HD2 LYS 56 OK 33 76 - 43 - 1364/3.0=3, ~2674=3...(19) QD1 LEU 34 - HD2 LYS 56 OK 31 52 - 59 - ~2673=5, 2108/3.0=4...(33) QD1 LEU 34 - HD2 LYS 17 OK 23 78 - 29 - 2.1/2100=2, 1365=2...(12) QD1 LEU 34 - HD3 LYS 17 OK 23 78 - 29 - 2.1/2100=2, 1366=2...(12) HD3 LYS 68 - HD3 LYS 17 OK 21 96 - 21 - 1373/3.0=2, 1403/3.0=1 HD3 LYS 68 - HD2 LYS 17 OK 21 96 - 21 - 1373/3.0=2, 1403/3.0=1 HD2 LYS 68 - HD2 LYS 17 OK 20 95 - 21 - 1373/3.0=2, 1403/3.0=1 HD2 LYS 68 - HD3 LYS 17 OK 20 95 - 21 - 1373/3.0=2, 1403/3.0=1 HG3 LYS 65 - HD2 LYS 17 OK 19 71 - 27 - 1373/3.0=2, ~2942=2...(7) HG3 LYS 65 - HD3 LYS 17 OK 19 71 - 27 - 1373/3.0=2, ~2942=2...(7) HD3 LYS 68 - HD2 LYS 56 OK 15 68 - 22 - 3086/3.0=1 HD2 LYS 68 - HD2 LYS 56 OK 14 67 - 22 - 3086/3.0=1 HB3 LEU 23 - HD3 LYS 17 OK 12 81 - 14 - 1373/3.0=1 HB3 LEU 23 - HD2 LYS 17 OK 12 81 - 14 - 1373/3.0=1 HG13 ILE 35 - HD3 LYS 17 lone 7 98 - 7 - HG13 ILE 35 - HD2 LYS 17 lone 7 98 - 7 - HB2 LEU 79 - HD2 LYS 56 lone 7 67 - 10 - 3384/5.8=1 HB2 LEU 79 - HD2 LYS 17 lone 6 95 - 6 - HB2 LEU 79 - HD3 LYS 17 lone 6 95 - 6 - HG3 LYS 65 - HD2 LYS 56 lone 4 46 - 9 - HG13 ILE 35 - HD2 LYS 56 lone 4 72 - 5 - HB3 LEU 23 - HD2 LYS 56 lone 3 54 - 6 - QG2 THR 83 - HD3 LYS 17 lone 1 68 - 1 - QG2 THR 83 - HD2 LYS 17 lone 1 68 - 1 - QG2 THR 83 - HD2 LYS 56 lone 0 44 - 1 - Peak 1394 from cnoeabs.peaks (1.27, 1.51, 28.78 ppm; 2.94 A): 5 out of 24 assignments used, quality = 1.00: * HG3 LYS 17 + HD3 LYS 17 OK 99 100 - 99 - 3.0=99 HG3 LYS 17 + HD2 LYS 17 OK 99 100 - 99 - 3.0=99 HG3 LYS 56 + HD2 LYS 56 OK 71 72 - 99 - 3.0=98, 2656/1.8=7...(14) HG3 LYS 56 + HD3 LYS 17 OK 48 98 - 49 - 1.8/2641=4, 3.0/2671=4...(29) HG3 LYS 56 + HD2 LYS 17 OK 48 98 - 49 - 1.8/2641=4, 3.0/2671=4...(29) HG3 LYS 17 - HD2 LYS 56 OK 32 76 - 42 - 2674/1.8=4, 2644/3.0=4...(16) HG3 LYS 65 - HD3 LYS 17 OK 29 99 - 29 - 1364/3.0=2, 2950/3.7=2...(11) HG3 LYS 65 - HD2 LYS 17 OK 29 99 - 29 - 1364/3.0=2, 2950/3.7=2...(11) HD3 LYS 44 - HD2 LYS 56 OK 24 56 - 43 - 2674/1.8=5, 2644/3.0=4...(24) HB3 LEU 23 - HD3 LYS 17 OK 14 97 - 14 - 1364/3.0=1 HB3 LEU 23 - HD2 LYS 17 OK 14 97 - 14 - 1364/3.0=1 HB3 LYS 68 - HD2 LYS 17 OK 12 78 - 15 - 1364/3.0=1 HB3 LYS 68 - HD3 LYS 17 OK 12 78 - 15 - 1364/3.0=1 HB3 LYS 68 - HD2 LYS 56 OK 11 52 - 22 - 2674/1.8=3, 2644/3.0=2...(6) HG3 LYS 65 - HD2 LYS 56 OK 11 73 - 15 - 2653/3.0=2, 2674/1.8=1 HG3 LYS 31 - HD2 LYS 56 poor 7 38 - 18 - 2674/1.8=2, 2644/3.0=2, ~1932=1 HB2 LEU 79 - HD2 LYS 56 poor 7 58 - 11 - 3384/5.8=1 HB3 LEU 23 - HD2 LYS 56 lone 6 70 - 8 - HB2 LEU 79 - HD2 LYS 17 lone 4 85 - 5 - HB2 LEU 79 - HD3 LYS 17 lone 4 85 - 5 - HD3 LYS 44 - HD2 LYS 17 lone 4 83 - 5 - HD3 LYS 44 - HD3 LYS 17 lone 4 83 - 5 - HG3 LYS 31 - HD2 LYS 17 lone 4 60 - 6 - HG3 LYS 31 - HD3 LYS 17 lone 4 60 - 6 - Peak 1395 from cnoeabs.peaks (1.51, 1.51, 28.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 17 + HD3 LYS 17 OK 100 100 - 100 HD2 LYS 17 + HD2 LYS 17 OK 100 100 - 100 HD2 LYS 56 + HD2 LYS 56 OK 50 50 - 100 Reference assignment not found: HD2 LYS 17 - HD3 LYS 17 Peak 1396 from cnoeabs.peaks (1.51, 1.51, 28.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD3 LYS 17 + HD3 LYS 17 OK 100 100 - 100 HD2 LYS 17 + HD2 LYS 17 OK 100 100 - 100 HD2 LYS 56 + HD2 LYS 56 OK 50 50 - 100 Peak 1397 from cnoeabs.peaks (2.85, 1.51, 28.78 ppm; 2.95 A): 4 out of 24 assignments used, quality = 1.00: * HE2 LYS 17 + HD3 LYS 17 OK 100 100 - 100 - 3.0=99, 1406/1.8=7...(26) HE2 LYS 17 + HD2 LYS 17 OK 100 100 - 100 - 3.0=99, 1406/1.8=7...(26) HE3 LYS 17 + HD3 LYS 17 OK 97 97 - 100 - 3.0=99, 1.8/1406=7...(24) HE3 LYS 17 + HD2 LYS 17 OK 97 97 - 100 - 3.0=99, 1.8/1406=7...(24) HE2 LYS 17 - HD2 LYS 56 OK 20 76 - 27 - 1404/3.0=2, ~2671=2...(6) HE3 LYS 17 - HD2 LYS 56 OK 18 71 - 25 - 1404/3.0=2, ~2671=2...(6) HB3 TYR 32 - HD3 LYS 17 OK 11 97 - 11 - 2.5/4608=1 HB3 TYR 32 - HD2 LYS 17 OK 11 97 - 11 - 2.5/4608=1 HB2 ASN 18 - HD2 LYS 17 OK 10 95 - 11 - 4339/5.1=2, 1367/3.0=1...(4) HB2 ASN 18 - HD3 LYS 17 OK 10 95 - 11 - 4339/5.1=2, 1367/3.0=1...(4) HB3 ASN 18 - HD3 LYS 17 OK 10 93 - 11 - 4339/5.1=2, 1367/3.0=1...(4) HB3 ASN 18 - HD2 LYS 17 OK 10 93 - 11 - 4339/5.1=2, 1367/3.0=1...(4) HB2 ASN 90 - HD2 LYS 56 poor 7 66 - 10 - 3686/5.3=1 HB3 ASN 24 - HD3 LYS 17 lone 4 97 - 4 - HB3 ASN 24 - HD2 LYS 17 lone 4 97 - 4 - HB3 ASN 63 - HD2 LYS 17 lone 3 90 - 3 - HB3 ASN 63 - HD3 LYS 17 lone 3 90 - 3 - HB2 ASN 18 - HD2 LYS 56 lone 2 67 - 3 - HB3 ASN 18 - HD2 LYS 56 lone 2 66 - 3 - HB2 ASN 90 - HD2 LYS 17 lone 2 93 - 2 - HB2 ASN 90 - HD3 LYS 17 lone 2 93 - 2 - HB3 TYR 32 - HD2 LYS 56 lone 1 71 - 2 - HB3 ASN 24 - HD2 LYS 56 lone 1 70 - 1 - HB3 ASN 63 - HD2 LYS 56 lone 1 63 - 2 - Peak 1398 from cnoeabs.peaks (2.86, 1.51, 28.78 ppm; 2.95 A): 4 out of 30 assignments used, quality = 1.00: HE3 LYS 17 + HD2 LYS 17 OK 100 100 - 100 - 3.0=99, 1.8/1405=7...(24) * HE3 LYS 17 + HD3 LYS 17 OK 100 100 - 100 - 3.0=99, 1.8/1405=7...(24) HE2 LYS 17 + HD2 LYS 17 OK 97 97 - 100 - 3.0=99, 1406/1.8=7...(26) HE2 LYS 17 + HD3 LYS 17 OK 97 97 - 100 - 3.0=99, 1406/1.8=7...(26) HE3 LYS 17 - HD2 LYS 56 OK 19 76 - 25 - 1404/3.0=2, ~2671=2...(6) HE2 LYS 17 - HD2 LYS 56 OK 19 71 - 27 - 1404/3.0=2, ~2671=2...(6) HB3 TYR 32 - HD3 LYS 17 OK 11 100 - 11 - 2.5/4608=1 HB3 TYR 32 - HD2 LYS 17 OK 11 100 - 11 - 2.5/4608=1 HB2 ASN 18 - HD2 LYS 17 OK 11 100 - 11 - 4339/5.1=2, 3.9/3826=1 HB2 ASN 18 - HD3 LYS 17 OK 11 100 - 11 - 4339/5.1=2, 3.9/3826=1 HB3 ASN 18 - HD3 LYS 17 OK 11 100 - 11 - 4339/5.1=2, 3.9/3826=1 HB3 ASN 18 - HD2 LYS 17 OK 11 100 - 11 - 4339/5.1=2, 3.9/3826=1 HE2 LYS 65 - HD2 LYS 17 poor 8 71 - 11 - 1378/3.0=1, 1368/3.0=1 HE2 LYS 65 - HD3 LYS 17 poor 8 71 - 11 - 1378/3.0=1, 1368/3.0=1 HE3 LYS 65 - HD3 LYS 17 poor 6 60 - 11 - HE3 LYS 65 - HD2 LYS 17 poor 6 60 - 11 - HB2 ASN 90 - HD2 LYS 56 lone 4 48 - 9 - HB3 ASN 24 - HD3 LYS 17 lone 4 100 - 4 - HB3 ASN 24 - HD2 LYS 17 lone 4 100 - 4 - HB3 ASN 63 - HD2 LYS 17 lone 4 99 - 4 - HB3 ASN 63 - HD3 LYS 17 lone 4 99 - 4 - HB2 ASN 18 - HD2 LYS 56 lone 2 75 - 3 - HB3 ASN 18 - HD2 LYS 56 lone 2 75 - 3 - HE2 LYS 65 - HD2 LYS 56 lone 2 46 - 4 - HB3 TYR 32 - HD2 LYS 56 lone 1 76 - 2 - HE3 LYS 65 - HD2 LYS 56 lone 1 38 - 4 - HB3 ASN 63 - HD2 LYS 56 lone 1 74 - 2 - HB3 ASN 24 - HD2 LYS 56 lone 1 76 - 1 - HB2 ASN 90 - HD3 LYS 17 lone 1 73 - 1 - HB2 ASN 90 - HD2 LYS 17 lone 1 73 - 1 - Peak 1400 from cnoeabs.peaks (4.45, 2.85, 41.78 ppm; 4.20 A): 2 out of 6 assignments used, quality = 0.97: * HA LYS 17 + HE2 LYS 17 OK 83 100 - 83 - 6.5=27, 1333/3.9=16...(32) HA LYS 17 + HE3 LYS 17 OK 80 97 - 82 - 6.5=27, 1333/3.9=16...(30) HA3 GLY 59 - HE2 LYS 17 OK 25 100 - 25 - 1360/3.9=5, 5328/3.0=4...(9) HA3 GLY 59 - HE3 LYS 17 OK 25 96 - 25 - 1360/3.9=5, 5328/3.0=4...(9) HB THR 13 - HE2 LYS 17 lone 5 60 - 9 - 1360/3.9=1, 551/7.2=1...(4) HB THR 13 - HE3 LYS 17 lone 5 55 - 9 - 1360/3.9=1, 551/7.2=1...(4) Peak 1401 from cnoeabs.peaks (1.72, 2.85, 41.78 ppm; 3.79 A): 4 out of 16 assignments used, quality = 1.00: * HB2 LYS 17 + HE2 LYS 17 OK 91 100 - 91 - 5.0=43, 2.9/1377=11...(45) HB3 LYS 17 + HE2 LYS 17 OK 91 100 - 91 - 5.0=43, 2.9/1377=11...(45) HB2 LYS 17 + HE3 LYS 17 OK 88 97 - 91 - 5.0=43, 2.9/1377=10...(43) HB3 LYS 17 + HE3 LYS 17 OK 88 97 - 91 - 5.0=43, 2.9/1377=10...(43) HB3 LYS 65 - HE2 LYS 17 OK 30 93 - 33 - 1362/3.9=3, 1372/3.9=3...(16) HB3 LYS 65 - HE3 LYS 17 OK 20 88 - 23 - 1362/3.9=3, 1372/3.9=3...(8) HB3 ARG 27 - HE2 LYS 17 lone 7 76 - 9 - HB3 LYS 31 - HE2 LYS 17 lone 6 81 - 7 - 4.1/652=2 HB3 MET 48 - HE2 LYS 17 poor 6 57 - 10 - 4.0/4884=2, 4898/3.0=1 HB3 ARG 27 - HE3 LYS 17 lone 6 71 - 8 - HB3 MET 48 - HE3 LYS 17 poor 5 53 - 10 - 4.0/4884=2, 4898/3.0=1 HB3 LYS 31 - HE3 LYS 17 lone 5 75 - 7 - 4.1/652=2 HB3 GLN 55 - HE2 LYS 17 lone 2 63 - 4 - HG2 LYS 78 - HE2 LYS 17 lone 2 83 - 3 - HB3 GLN 55 - HE3 LYS 17 lone 2 58 - 4 - HG2 LYS 78 - HE3 LYS 17 lone 2 77 - 2 - Peak 1402 from cnoeabs.peaks (1.72, 2.85, 41.78 ppm; 3.79 A): 4 out of 16 assignments used, quality = 1.00: * HB3 LYS 17 + HE2 LYS 17 OK 91 100 - 91 - 5.0=43, 2.9/1377=11...(45) HB2 LYS 17 + HE2 LYS 17 OK 91 100 - 91 - 5.0=43, 2.9/1377=11...(45) HB3 LYS 17 + HE3 LYS 17 OK 88 97 - 91 - 5.0=43, 2.9/1377=10...(43) HB2 LYS 17 + HE3 LYS 17 OK 88 97 - 91 - 5.0=43, 2.9/1377=10...(43) HB3 LYS 65 - HE2 LYS 17 OK 30 92 - 33 - 1362/3.9=3, 1372/3.9=3...(16) HB3 LYS 65 - HE3 LYS 17 OK 20 87 - 23 - 1362/3.9=3, 1372/3.9=3...(8) HB3 ARG 27 - HE2 LYS 17 lone 7 78 - 9 - HB3 LYS 31 - HE2 LYS 17 lone 6 83 - 7 - 4.1/652=2 HB3 ARG 27 - HE3 LYS 17 lone 6 73 - 8 - HB3 LYS 31 - HE3 LYS 17 lone 6 77 - 7 - 4.1/652=2 HG2 LYS 78 - HE2 LYS 17 lone 2 85 - 3 - HB3 GLN 55 - HE2 LYS 17 lone 2 60 - 4 - HB3 GLN 55 - HE3 LYS 17 lone 2 55 - 4 - HG2 LYS 78 - HE3 LYS 17 lone 2 80 - 2 - HB2 LEU 30 - HE2 LYS 17 lone 1 60 - 2 - HB2 LEU 30 - HE3 LYS 17 lone 1 55 - 2 - Peak 1403 from cnoeabs.peaks (1.24, 2.85, 41.78 ppm; 3.03 A): 2 out of 18 assignments used, quality = 0.96: * HG2 LYS 17 + HE2 LYS 17 OK 80 100 - 80 - 3.9=45, 1.8/1377=10...(34) HG2 LYS 17 + HE3 LYS 17 OK 78 97 - 80 - 3.9=45, 1.8/1377=9...(34) HD3 LYS 68 - HE2 LYS 17 OK 15 96 - 16 - 3.0/5561=2, 3.0/5564=2...(5) HD2 LYS 68 - HE2 LYS 17 OK 15 95 - 16 - 3.0/5561=2, 3.0/5564=2...(5) HD3 LYS 68 - HE3 LYS 17 OK 14 91 - 16 - 3.0/5561=2, 3.0/5564=2...(5) HD2 LYS 68 - HE3 LYS 17 OK 14 90 - 16 - 3.0/5561=2, 3.0/5564=2...(5) HG3 LYS 65 - HE2 LYS 17 OK 13 71 - 19 - ~2945=1, 1373/3.9=1...(4) QD1 LEU 34 - HE2 LYS 17 OK 10 78 - 13 - 1367=2, 1367/1.8=1...(5) QD1 LEU 34 - HE3 LYS 17 poor 10 73 - 13 - 1367=1, 1367/1.8=1...(5) HG3 LYS 65 - HE3 LYS 17 poor 8 66 - 13 - 1373/3.9=1 HB3 LEU 23 - HE2 LYS 17 lone 5 81 - 6 - HB3 LEU 23 - HE3 LYS 17 lone 4 75 - 6 - HB2 LEU 79 - HE2 LYS 17 lone 3 95 - 3 - HG13 ILE 35 - HE2 LYS 17 lone 3 98 - 3 - HB2 LEU 79 - HE3 LYS 17 lone 3 90 - 3 - HG13 ILE 35 - HE3 LYS 17 lone 3 94 - 3 - QG2 THR 83 - HE2 LYS 17 lone 1 68 - 1 - QG2 THR 83 - HE3 LYS 17 lone 1 63 - 1 - Peak 1404 from cnoeabs.peaks (1.27, 2.85, 41.78 ppm; 2.95 A): 2 out of 16 assignments used, quality = 0.94: * HG3 LYS 17 + HE2 LYS 17 OK 77 100 - 77 - 3.9=42, 1377/1.8=9...(30) HG3 LYS 17 + HE3 LYS 17 OK 75 97 - 77 - 3.9=42, 1377/1.8=9...(31) HG3 LYS 56 - HE2 LYS 17 OK 25 98 - 25 - 1377=3, 1364/3.9=2...(9) HG3 LYS 56 - HE3 LYS 17 OK 24 94 - 25 - 1377=2, 1364/3.9=2...(9) HG3 LYS 65 - HE2 LYS 17 OK 19 99 - 20 - 1364/3.9=2, 2955/1.8=1...(8) HG3 LYS 65 - HE3 LYS 17 OK 13 95 - 14 - 1364/3.9=2, 1384/3.0=1...(5) HB3 LYS 68 - HE2 LYS 17 lone 7 78 - 9 - 4.9/5564=1, 4.9/5561=1 HB3 LYS 68 - HE3 LYS 17 lone 7 73 - 9 - 4.9/5564=1 HB3 LEU 23 - HE2 LYS 17 lone 6 97 - 6 - HB3 LEU 23 - HE3 LYS 17 lone 5 92 - 6 - HG3 LYS 31 - HE2 LYS 17 lone 2 60 - 3 - HG3 LYS 31 - HE3 LYS 17 lone 2 55 - 3 - HB2 LEU 79 - HE2 LYS 17 lone 2 85 - 2 - HB2 LEU 79 - HE3 LYS 17 lone 2 80 - 2 - HD3 LYS 44 - HE2 LYS 17 lone 1 83 - 2 - HD3 LYS 44 - HE3 LYS 17 lone 1 77 - 2 - Peak 1405 from cnoeabs.peaks (1.51, 2.85, 41.78 ppm; 2.69 A): 4 out of 28 assignments used, quality = 1.00: HD3 LYS 17 + HE2 LYS 17 OK 87 100 - 87 - 3.0=75, 3.0/1404=6...(20) * HD2 LYS 17 + HE2 LYS 17 OK 87 100 - 87 - 3.0=75, 3.0/1404=6...(20) HD3 LYS 17 + HE3 LYS 17 OK 85 97 - 87 - 3.0=75, 3.0/1404=5...(20) HD2 LYS 17 + HE3 LYS 17 OK 85 97 - 87 - 3.0=75, 3.0/1404=5...(20) HB2 LYS 56 - HE2 LYS 17 OK 23 99 - 24 - 2625/3.0=2, 2625/3.0=2...(6) HB2 LYS 56 - HE3 LYS 17 OK 21 95 - 23 - 2625/3.0=2, 2625/3.0=2...(6) HD2 LYS 56 - HE2 LYS 17 OK 15 76 - 20 - 3.0/1404=2, 1387=1...(5) HD2 LYS 56 - HE3 LYS 17 OK 13 71 - 19 - 3.0/1404=2, ~2671=1...(6) HG LEU 34 - HE2 LYS 17 lone 10 99 - 10 - 2095/3.9=1 HG LEU 34 - HE3 LYS 17 lone 9 96 - 10 - 2095/3.9=1 HG3 ARG 27 - HE2 LYS 17 lone 4 98 - 4 - HG3 ARG 27 - HE3 LYS 17 lone 4 94 - 4 - QB ALA 72 - HE2 LYS 17 lone 4 90 - 4 - 5672/3.9=1 QB ALA 72 - HE3 LYS 17 lone 4 85 - 4 - 5672/3.9=1 QB ALA 71 - HE2 LYS 17 lone 3 97 - 3 - QB ALA 71 - HE3 LYS 17 lone 3 92 - 3 - HD3 LYS 64 - HE2 LYS 17 lone 2 92 - 2 - HD3 LYS 64 - HE3 LYS 17 lone 2 87 - 2 - HB3 LYS 26 - HE2 LYS 17 lone 1 98 - 1 - HG2 GLU 37 - HE2 LYS 17 lone 1 99 - 1 - HB3 LYS 26 - HE3 LYS 17 lone 1 94 - 1 - HG2 GLU 37 - HE3 LYS 17 lone 1 95 - 1 - HB2 LEU 85 - HE2 LYS 17 lone 1 100 - 1 - HB2 LEU 85 - HE3 LYS 17 lone 1 97 - 1 - HB2 ARG 45 - HE2 LYS 17 lone 1 100 - 1 - HB2 ARG 45 - HE3 LYS 17 lone 1 97 - 1 - HB3 LEU 87 - HE2 LYS 17 lone 0 76 - 1 - HB3 LEU 87 - HE3 LYS 17 lone 0 71 - 1 - Peak 1406 from cnoeabs.peaks (1.51, 2.85, 41.78 ppm; 2.69 A): 4 out of 28 assignments used, quality = 1.00: * HD3 LYS 17 + HE2 LYS 17 OK 87 100 - 87 - 3.0=75, 3.0/1404=6...(20) HD2 LYS 17 + HE2 LYS 17 OK 87 100 - 87 - 3.0=75, 3.0/1404=6...(20) HD3 LYS 17 + HE3 LYS 17 OK 85 97 - 87 - 3.0=75, 3.0/1404=5...(20) HD2 LYS 17 + HE3 LYS 17 OK 85 97 - 87 - 3.0=75, 3.0/1404=5...(20) HB2 LYS 56 - HE2 LYS 17 OK 23 99 - 24 - 2625/3.0=2, 2625/3.0=2...(6) HB2 LYS 56 - HE3 LYS 17 OK 21 95 - 23 - 2625/3.0=2, 2625/3.0=2...(6) HD2 LYS 56 - HE2 LYS 17 OK 15 76 - 20 - 3.0/1404=2, 1387=1...(5) HD2 LYS 56 - HE3 LYS 17 OK 13 71 - 19 - 3.0/1404=2, ~2671=1...(6) HG LEU 34 - HE2 LYS 17 lone 10 99 - 10 - 2095/3.9=1 HG LEU 34 - HE3 LYS 17 lone 9 96 - 10 - 2095/3.9=1 HG3 ARG 27 - HE2 LYS 17 lone 4 98 - 4 - HG3 ARG 27 - HE3 LYS 17 lone 4 94 - 4 - QB ALA 72 - HE2 LYS 17 lone 4 90 - 4 - 5672/3.9=1 QB ALA 72 - HE3 LYS 17 lone 4 85 - 4 - 5672/3.9=1 QB ALA 71 - HE2 LYS 17 lone 3 97 - 3 - QB ALA 71 - HE3 LYS 17 lone 3 92 - 3 - HD3 LYS 64 - HE2 LYS 17 lone 2 92 - 2 - HD3 LYS 64 - HE3 LYS 17 lone 2 87 - 2 - HB3 LYS 26 - HE2 LYS 17 lone 1 98 - 1 - HG2 GLU 37 - HE2 LYS 17 lone 1 99 - 1 - HB3 LYS 26 - HE3 LYS 17 lone 1 94 - 1 - HG2 GLU 37 - HE3 LYS 17 lone 1 95 - 1 - HB2 LEU 85 - HE2 LYS 17 lone 1 100 - 1 - HB2 LEU 85 - HE3 LYS 17 lone 1 97 - 1 - HB2 ARG 45 - HE2 LYS 17 lone 1 100 - 1 - HB2 ARG 45 - HE3 LYS 17 lone 1 97 - 1 - HB3 LEU 87 - HE2 LYS 17 lone 0 76 - 1 - HB3 LEU 87 - HE3 LYS 17 lone 0 71 - 1 - Peak 1407 from cnoeabs.peaks (2.85, 2.85, 41.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 17 + HE2 LYS 17 OK 100 100 - 100 HE3 LYS 17 + HE3 LYS 17 OK 93 93 - 100 Peak 1408 from cnoeabs.peaks (2.86, 2.85, 41.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 17 + HE3 LYS 17 OK 97 97 - 100 HE2 LYS 17 + HE2 LYS 17 OK 97 97 - 100 Reference assignment not found: HE3 LYS 17 - HE2 LYS 17 Peak 1410 from cnoeabs.peaks (4.45, 2.86, 41.78 ppm; 5.40 A): 2 out of 12 assignments used, quality = 1.00: * HA LYS 17 + HE3 LYS 17 OK 95 100 - 95 - 6.5=57, 1333/3.9=23...(30) HA LYS 17 + HE2 LYS 17 OK 93 97 - 95 - 6.5=57, 1333/3.9=23...(32) HA3 GLY 59 - HE3 LYS 17 OK 37 100 - 37 - 1360/3.9=7, 5328/3.0=6...(9) HA3 GLY 59 - HE2 LYS 17 OK 36 96 - 37 - 1360/3.9=7, 5328/3.0=6...(9) HA LYS 17 - HE2 LYS 65 OK 22 71 - 32 - 1334/3.8=6, 1331/5.1=3...(13) HA LYS 17 - HE3 LYS 65 OK 19 60 - 31 - 1334/3.8=6, 1331/5.1=3...(16) HB THR 13 - HE3 LYS 17 poor 9 60 - 15 - 551/7.2=3, 1360/3.9=2...(8) HB THR 13 - HE2 LYS 17 poor 8 55 - 15 - 551/7.2=3, 1360/3.9=2...(8) HA3 GLY 59 - HE2 LYS 65 lone 3 70 - 4 - HA3 GLY 59 - HE3 LYS 65 lone 2 59 - 4 - HB THR 13 - HE2 LYS 65 lone 2 35 - 5 - HB THR 13 - HE3 LYS 65 lone 1 29 - 5 - Peak 1411 from cnoeabs.peaks (1.72, 2.86, 41.78 ppm; 4.04 A): 6 out of 32 assignments used, quality = 1.00: * HB2 LYS 17 + HE3 LYS 17 OK 94 100 - 94 - 5.0=53, 2.9/1377=11...(43) HB3 LYS 17 + HE3 LYS 17 OK 94 100 - 94 - 5.0=53, 2.9/1377=11...(43) HB2 LYS 17 + HE2 LYS 17 OK 92 97 - 94 - 5.0=53, 2.9/1377=12...(45) HB3 LYS 17 + HE2 LYS 17 OK 92 97 - 94 - 5.0=53, 2.9/1377=12...(45) HB3 LYS 65 + HE2 LYS 65 OK 55 61 - 90 - 5.1=50, 3.0/2955=7...(45) HB3 LYS 65 + HE3 LYS 65 OK 45 51 - 89 - 5.1=50, 3.0/2955=6...(41) HB3 LYS 65 - HE2 LYS 17 OK 32 88 - 37 - 1362/3.9=3, 1372/3.9=3...(18) HB3 LYS 65 - HE3 LYS 17 OK 27 93 - 29 - 1362/3.9=3, 1372/3.9=3...(13) HB2 LYS 17 - HE2 LYS 65 OK 24 71 - 34 - 2940/3.8=4, 2950/3.8=3...(17) HB3 LYS 17 - HE2 LYS 65 OK 24 71 - 34 - 2940/3.8=4, 2950/3.8=3...(17) HB2 LYS 17 - HE3 LYS 65 OK 20 60 - 34 - 2940/3.8=4, 2950/3.8=3...(18) HB3 LYS 17 - HE3 LYS 65 OK 20 60 - 34 - 2940/3.8=4, 2950/3.8=3...(18) HB3 ARG 27 - HE3 LYS 17 lone 7 76 - 9 - HB3 ARG 27 - HE2 LYS 17 lone 7 71 - 10 - HB3 MET 48 - HE2 LYS 65 poor 7 34 - 22 - 2940/3.8=3, 4.0/4884=2...(10) HB3 MET 48 - HE3 LYS 17 poor 7 57 - 12 - 4.0/4884=2, 4898/3.0=1...(4) HB3 LYS 31 - HE3 LYS 17 lone 7 81 - 8 - 4.1/652=2 HB3 LYS 31 - HE2 LYS 17 lone 6 75 - 8 - 4.1/652=2 HB3 MET 48 - HE2 LYS 17 poor 6 53 - 12 - 4.0/4884=2, 4898/3.0=1...(4) HB3 MET 48 - HE3 LYS 65 poor 6 28 - 21 - 2940/3.8=3, ~4896=2...(10) HB3 GLN 55 - HE2 LYS 65 poor 6 37 - 15 - 2940/3.8=2, 2928/5.8=2...(7) HG2 LYS 78 - HE2 LYS 65 lone 5 52 - 9 - 3322/3.8=2, 3324/5.1=1 HB3 GLN 55 - HE3 LYS 65 poor 5 31 - 15 - 2940/3.8=2, 2928/5.8=2...(7) HG2 LYS 78 - HE3 LYS 65 lone 4 43 - 9 - 3322/3.8=2, 3324/5.1=1 HB3 GLN 55 - HE3 LYS 17 lone 3 63 - 5 - HB3 GLN 55 - HE2 LYS 17 lone 3 58 - 5 - HG2 LYS 78 - HE3 LYS 17 lone 3 83 - 3 - HG2 LYS 78 - HE2 LYS 17 lone 2 77 - 3 - HB3 ARG 27 - HE2 LYS 65 lone 2 46 - 4 - HB3 ARG 27 - HE3 LYS 65 lone 2 38 - 4 - HB3 LYS 31 - HE2 LYS 65 lone 1 50 - 3 - HB3 LYS 31 - HE3 LYS 65 lone 1 42 - 2 - Peak 1412 from cnoeabs.peaks (1.72, 2.86, 41.78 ppm; 4.04 A): 5 out of 32 assignments used, quality = 1.00: * HB3 LYS 17 + HE3 LYS 17 OK 94 100 - 94 - 5.0=53, 2.9/1377=11...(43) HB2 LYS 17 + HE3 LYS 17 OK 94 100 - 94 - 5.0=53, 2.9/1377=11...(43) HB3 LYS 17 + HE2 LYS 17 OK 92 97 - 94 - 5.0=53, 2.9/1377=12...(45) HB2 LYS 17 + HE2 LYS 17 OK 92 97 - 94 - 5.0=53, 2.9/1377=12...(45) HB3 LYS 65 + HE2 LYS 65 OK 53 60 - 90 - 5.1=50, 3.0/2955=7...(45) HB3 LYS 65 - HE3 LYS 65 OK 44 50 - 89 - 5.1=50, 3.0/2955=6...(41) HB3 LYS 65 - HE2 LYS 17 OK 32 87 - 37 - 1362/3.9=3, 1372/3.9=3...(18) HB3 LYS 65 - HE3 LYS 17 OK 26 92 - 29 - 1362/3.9=3, 1372/3.9=3...(13) HB2 LYS 17 - HE2 LYS 65 OK 24 71 - 33 - 2940/3.8=4, 2950/3.8=3...(17) HB3 LYS 17 - HE2 LYS 65 OK 24 71 - 33 - 2940/3.8=4, 2950/3.8=3...(17) HB2 LYS 17 - HE3 LYS 65 OK 20 60 - 33 - 2940/3.8=4, 2950/3.8=3...(18) HB3 LYS 17 - HE3 LYS 65 OK 20 60 - 33 - 2940/3.8=4, 2950/3.8=3...(18) HB3 ARG 27 - HE3 LYS 17 lone 8 78 - 10 - HB3 ARG 27 - HE2 LYS 17 poor 7 73 - 10 - HB3 LYS 31 - HE3 LYS 17 lone 7 83 - 8 - 4.1/652=2 HB3 LYS 31 - HE2 LYS 17 lone 7 77 - 8 - 4.1/652=2 HB3 GLN 55 - HE2 LYS 65 poor 5 35 - 15 - 2928/5.8=2, 2940/3.8=2...(7) HG2 LYS 78 - HE2 LYS 65 lone 5 53 - 9 - 3322/3.8=2, 3324/5.1=1 HB3 GLN 55 - HE3 LYS 65 poor 4 29 - 15 - 2928/5.8=2, 2940/3.8=2...(7) HG2 LYS 78 - HE3 LYS 65 lone 4 45 - 9 - 3322/3.8=2, 3324/5.1=1 HB3 GLN 55 - HE3 LYS 17 lone 3 60 - 5 - HG2 LYS 78 - HE3 LYS 17 lone 3 85 - 3 - HG2 LYS 78 - HE2 LYS 17 lone 3 80 - 3 - HB3 GLN 55 - HE2 LYS 17 lone 3 55 - 5 - HB3 ARG 27 - HE2 LYS 65 lone 2 48 - 4 - HB3 ARG 27 - HE3 LYS 65 lone 2 40 - 4 - HB2 LEU 30 - HE3 LYS 17 lone 1 60 - 2 - HB3 LYS 31 - HE2 LYS 65 lone 1 52 - 3 - HB2 LEU 30 - HE2 LYS 17 lone 1 55 - 2 - HB3 LYS 31 - HE3 LYS 65 lone 1 43 - 2 - HB2 LEU 30 - HE2 LYS 65 lone 0 35 - 1 - HB2 LEU 30 - HE3 LYS 65 lone 0 29 - 1 - Peak 1413 from cnoeabs.peaks (1.24, 2.86, 41.78 ppm; 3.20 A): 2 out of 36 assignments used, quality = 0.97: * HG2 LYS 17 + HE3 LYS 17 OK 85 100 - 85 - 3.9=53, 1367/1.8=10...(34) HG2 LYS 17 + HE2 LYS 17 OK 83 97 - 85 - 3.9=53, 1.8/1377=10...(34) HG3 LYS 65 - HE2 LYS 65 OK 35 43 - 83 - 3.8=62, 2955/1.8=6...(37) HG3 LYS 65 - HE3 LYS 65 OK 29 35 - 82 - 3.8=62, 2955/1.8=6...(33) HD3 LYS 68 - HE3 LYS 17 OK 18 96 - 18 - 3.0/5561=2, 3.0/5564=2...(8) HD2 LYS 68 - HE3 LYS 17 OK 17 95 - 18 - 3.0/5561=2, 3.0/5564=2...(8) HD3 LYS 68 - HE2 LYS 17 OK 17 91 - 18 - 3.0/5561=2, 3.0/5564=2...(8) HD2 LYS 68 - HE2 LYS 17 OK 16 90 - 18 - 3.0/5561=2, 3.0/5564=2...(8) HG2 LYS 17 - HE2 LYS 65 OK 14 71 - 20 - 1364/3.8=2, 1368=2...(5) HG3 LYS 65 - HE2 LYS 17 OK 14 66 - 21 - ~2945=1, 1373/3.9=1...(6) QD1 LEU 34 - HE3 LYS 17 OK 12 78 - 15 - 1367=2, 1367/1.8=1...(5) HG2 LYS 17 - HE3 LYS 65 OK 12 60 - 19 - 1364/3.8=2, 1368=2...(6) HG3 LYS 65 - HE3 LYS 17 OK 11 71 - 16 - 1.8/2945=2, 1373/3.9=1 QD1 LEU 34 - HE2 LYS 17 OK 11 73 - 15 - 1367=2, 1367/1.8=1...(5) HD3 LYS 68 - HE2 LYS 65 poor 10 63 - 16 - 5555/5.8=2, 3.0/5557=1 HD2 LYS 68 - HE2 LYS 65 poor 10 62 - 16 - 5555/5.8=2, 3.0/5557=1 HD3 LYS 68 - HE3 LYS 65 poor 8 53 - 15 - 5555/5.8=2 HD2 LYS 68 - HE3 LYS 65 poor 8 52 - 15 - 5555/5.8=2 HB3 LEU 23 - HE3 LYS 17 lone 6 81 - 7 - HB3 LEU 23 - HE2 LYS 17 lone 5 75 - 7 - HB2 LEU 79 - HE2 LYS 65 lone 4 62 - 6 - HB2 LEU 79 - HE3 LYS 65 lone 3 52 - 6 - HB2 LEU 79 - HE3 LYS 17 lone 3 95 - 3 - HG13 ILE 35 - HE3 LYS 17 lone 3 98 - 3 - HB2 LEU 79 - HE2 LYS 17 lone 3 90 - 3 - HG13 ILE 35 - HE2 LYS 17 lone 3 94 - 3 - HB3 LEU 23 - HE2 LYS 65 lone 2 50 - 4 - HB3 LEU 23 - HE3 LYS 65 lone 2 42 - 4 - QD1 LEU 34 - HE2 LYS 65 lone 1 48 - 2 - QD1 LEU 34 - HE3 LYS 65 lone 1 40 - 2 - QG2 THR 83 - HE3 LYS 17 lone 1 68 - 1 - QG2 THR 83 - HE2 LYS 17 lone 1 63 - 1 - HG13 ILE 35 - HE2 LYS 65 lone 1 67 - 1 - HG13 ILE 35 - HE3 LYS 65 lone 0 56 - 1 - QG2 THR 83 - HE2 LYS 65 lone 0 41 - 1 - QG2 THR 83 - HE3 LYS 65 lone 0 34 - 1 - Peak 1414 from cnoeabs.peaks (1.27, 2.86, 41.78 ppm; 3.10 A): 4 out of 32 assignments used, quality = 0.99: * HG3 LYS 17 + HE3 LYS 17 OK 82 100 - 82 - 3.9=48, 1377/1.8=10...(35) HG3 LYS 17 + HE2 LYS 17 OK 80 97 - 82 - 3.9=48, 1377/1.8=10...(35) HG3 LYS 65 + HE2 LYS 65 OK 55 68 - 80 - 3.8=57, 2955/1.8=7...(37) HG3 LYS 65 + HE3 LYS 65 OK 46 58 - 79 - 3.8=57, 2955/1.8=7...(29) HG3 LYS 56 - HE3 LYS 17 OK 28 98 - 28 - 1377=3, 1364/3.9=2...(13) HG3 LYS 56 - HE2 LYS 17 OK 26 94 - 28 - 1377=3, 1364/3.9=2...(13) HG3 LYS 65 - HE2 LYS 17 OK 21 95 - 22 - 1364/3.9=2, 2955/1.8=2...(10) HG3 LYS 65 - HE3 LYS 17 OK 17 99 - 18 - 1364/3.9=2, 1.8/2945=1...(7) HG3 LYS 17 - HE2 LYS 65 OK 16 71 - 22 - 2942/3.8=3, 1378=2...(9) HG3 LYS 17 - HE3 LYS 65 OK 13 60 - 22 - 2942/3.8=3, 1378=2...(9) HB3 LYS 68 - HE3 LYS 17 poor 8 78 - 11 - 4.9/5564=1, 2.9/5557=1 HB3 LYS 68 - HE2 LYS 65 poor 8 48 - 17 - 4179/5.8=3, 3045/3.0=2...(4) HB3 LYS 68 - HE2 LYS 17 poor 8 73 - 11 - 4.9/5564=1, 4.9/5561=1 HB3 LEU 23 - HE3 LYS 17 lone 7 97 - 7 - HB3 LYS 68 - HE3 LYS 65 poor 6 40 - 16 - 4179/5.8=3, 3045/3.0=2...(4) HB3 LEU 23 - HE2 LYS 17 lone 6 92 - 7 - HG3 LYS 56 - HE2 LYS 65 lone 6 67 - 9 - 2942/3.8=2, 2948/5.8=1 HG3 LYS 56 - HE3 LYS 65 lone 5 56 - 9 - 2942/3.8=2, 2948/5.8=1 HB2 LEU 79 - HE2 LYS 65 lone 4 53 - 8 - 2942/3.8=1 HB3 LEU 23 - HE2 LYS 65 lone 4 65 - 6 - 4477/5.1=1, 2942/3.8=1 HB2 LEU 79 - HE3 LYS 65 lone 4 45 - 8 - 2942/3.8=1 HB3 LEU 23 - HE3 LYS 65 lone 3 54 - 6 - 4477/5.1=1, 2942/3.8=1 HD3 LYS 44 - HE2 LYS 65 lone 3 52 - 6 - HD3 LYS 44 - HE3 LYS 65 lone 2 43 - 5 - HG3 LYS 31 - HE3 LYS 17 lone 2 60 - 4 - HB2 LEU 79 - HE3 LYS 17 lone 2 85 - 3 - HG3 LYS 31 - HE2 LYS 17 lone 2 55 - 4 - HB2 LEU 79 - HE2 LYS 17 lone 2 80 - 2 - HD3 LYS 44 - HE3 LYS 17 lone 2 83 - 2 - HD3 LYS 44 - HE2 LYS 17 lone 2 77 - 2 - HG3 LYS 31 - HE2 LYS 65 lone 0 35 - 1 - HG3 LYS 31 - HE3 LYS 65 lone 0 29 - 1 - Peak 1415 from cnoeabs.peaks (1.51, 2.86, 41.78 ppm; 2.86 A): 4 out of 56 assignments used, quality = 1.00: HD3 LYS 17 + HE3 LYS 17 OK 95 100 - 95 - 3.0=90, 1397/1.8=6...(20) * HD2 LYS 17 + HE3 LYS 17 OK 95 100 - 95 - 3.0=90, 1397/1.8=6...(20) HD3 LYS 17 + HE2 LYS 17 OK 93 97 - 95 - 3.0=90, 3.0/1377=6...(21) HD2 LYS 17 + HE2 LYS 17 OK 93 97 - 95 - 3.0=90, 3.0/1377=6...(21) HB2 LYS 56 - HE2 LYS 17 OK 26 95 - 27 - 2624/3.9=2, 2625/3.0=2...(8) HB2 LYS 56 - HE3 LYS 17 OK 26 99 - 26 - 2624/3.9=2, 2625/3.0=2...(8) HD2 LYS 56 - HE3 LYS 17 OK 17 76 - 22 - 3.0/1404=2, ~2671=2...(6) HD2 LYS 56 - HE2 LYS 17 OK 16 71 - 23 - 3.0/1404=2, 1397=2...(6) HG LEU 34 - HE3 LYS 17 OK 11 99 - 11 - 2095/3.9=1 HG LEU 34 - HE2 LYS 17 OK 11 96 - 11 - 2095/3.9=1, 2.1/1367=1 HD2 LYS 17 - HE2 LYS 65 poor 7 71 - 10 - 3.0/1378=1 HD3 LYS 17 - HE2 LYS 65 poor 7 71 - 10 - 3.0/1378=1 HD2 LYS 17 - HE3 LYS 65 lone 6 60 - 10 - HD3 LYS 17 - HE3 LYS 65 lone 6 60 - 10 - QB ALA 72 - HE3 LYS 17 lone 5 90 - 6 - 5672/3.9=1 HG3 ARG 27 - HE3 LYS 17 lone 5 98 - 5 - HG3 ARG 27 - HE2 LYS 17 lone 5 94 - 5 - QB ALA 72 - HE2 LYS 17 lone 5 85 - 6 - 5672/3.9=1 QB ALA 71 - HE3 LYS 17 lone 3 97 - 3 - QB ALA 71 - HE2 LYS 17 lone 3 92 - 3 - HB2 LYS 56 - HE2 LYS 65 lone 3 68 - 4 - HB2 LYS 56 - HE3 LYS 65 lone 2 57 - 4 - HD3 LYS 64 - HE3 LYS 17 lone 2 92 - 3 - HD3 LYS 64 - HE2 LYS 17 lone 2 87 - 2 - HB3 LYS 26 - HE3 LYS 17 lone 2 98 - 2 - HD2 LYS 56 - HE2 LYS 65 lone 2 46 - 3 - HG2 GLU 37 - HE3 LYS 17 lone 2 99 - 2 - HG2 GLU 37 - HE2 LYS 17 lone 2 95 - 2 - HD3 LYS 64 - HE2 LYS 65 lone 2 60 - 3 - HB3 LYS 26 - HE2 LYS 17 lone 2 94 - 2 - HG3 ARG 27 - HE2 LYS 65 lone 1 67 - 2 - HD2 LYS 56 - HE3 LYS 65 lone 1 38 - 3 - HG2 GLU 37 - HE2 LYS 65 lone 1 68 - 2 - HD3 LYS 64 - HE3 LYS 65 lone 1 50 - 3 - HB2 LEU 85 - HE3 LYS 17 lone 1 100 - 1 - HB2 LEU 85 - HE2 LYS 17 lone 1 97 - 1 - HG LEU 34 - HE2 LYS 65 lone 1 69 - 2 - HB2 LEU 85 - HE2 LYS 65 lone 1 70 - 1 - HG3 ARG 27 - HE3 LYS 65 lone 1 56 - 2 - HG2 GLU 37 - HE3 LYS 65 lone 1 58 - 2 - QB ALA 72 - HE2 LYS 65 lone 1 58 - 2 - HB2 ARG 45 - HE3 LYS 17 lone 1 100 - 1 - HB2 ARG 45 - HE2 LYS 17 lone 1 97 - 1 - HG LEU 34 - HE3 LYS 65 lone 1 58 - 2 - HB2 LEU 85 - HE3 LYS 65 lone 1 59 - 1 - HB2 ARG 45 - HE2 LYS 65 lone 1 71 - 1 - QB ALA 72 - HE3 LYS 65 lone 1 49 - 2 - HB3 LEU 87 - HE2 LYS 65 lone 1 46 - 2 - QB ALA 71 - HE2 LYS 65 lone 1 65 - 1 - HB2 ARG 45 - HE3 LYS 65 lone 1 60 - 1 - HB3 LYS 26 - HE2 LYS 65 lone 1 67 - 1 - HB3 LEU 87 - HE3 LYS 17 lone 1 76 - 1 - HB3 LEU 87 - HE3 LYS 65 lone 1 38 - 1 - HB3 LEU 87 - HE2 LYS 17 lone 1 71 - 1 - QB ALA 71 - HE3 LYS 65 lone 1 54 - 1 - HB3 LYS 26 - HE3 LYS 65 lone 0 56 - 1 - Peak 1416 from cnoeabs.peaks (1.51, 2.86, 41.78 ppm; 2.86 A): 4 out of 56 assignments used, quality = 1.00: * HD3 LYS 17 + HE3 LYS 17 OK 95 100 - 95 - 3.0=90, 1397/1.8=6...(20) HD2 LYS 17 + HE3 LYS 17 OK 95 100 - 95 - 3.0=90, 1397/1.8=6...(20) HD3 LYS 17 + HE2 LYS 17 OK 93 97 - 95 - 3.0=90, 3.0/1377=6...(21) HD2 LYS 17 + HE2 LYS 17 OK 93 97 - 95 - 3.0=90, 3.0/1377=6...(21) HB2 LYS 56 - HE2 LYS 17 OK 26 95 - 27 - 2624/3.9=2, 2625/3.0=2...(8) HB2 LYS 56 - HE3 LYS 17 OK 26 99 - 26 - 2624/3.9=2, 2625/3.0=2...(8) HD2 LYS 56 - HE3 LYS 17 OK 17 76 - 22 - 3.0/1404=2, ~2671=2...(6) HD2 LYS 56 - HE2 LYS 17 OK 16 71 - 23 - 3.0/1404=2, 1397=2...(6) HG LEU 34 - HE3 LYS 17 OK 11 99 - 11 - 2095/3.9=1 HG LEU 34 - HE2 LYS 17 OK 11 96 - 11 - 2095/3.9=1, 2.1/1367=1 HD2 LYS 17 - HE2 LYS 65 poor 7 71 - 10 - 3.0/1378=1 HD3 LYS 17 - HE2 LYS 65 poor 7 71 - 10 - 3.0/1378=1 HD2 LYS 17 - HE3 LYS 65 lone 6 60 - 10 - HD3 LYS 17 - HE3 LYS 65 lone 6 60 - 10 - QB ALA 72 - HE3 LYS 17 lone 5 90 - 6 - 5672/3.9=1 HG3 ARG 27 - HE3 LYS 17 lone 5 98 - 5 - HG3 ARG 27 - HE2 LYS 17 lone 5 94 - 5 - QB ALA 72 - HE2 LYS 17 lone 5 85 - 6 - 5672/3.9=1 QB ALA 71 - HE3 LYS 17 lone 3 97 - 3 - QB ALA 71 - HE2 LYS 17 lone 3 92 - 3 - HB2 LYS 56 - HE2 LYS 65 lone 3 68 - 4 - HB2 LYS 56 - HE3 LYS 65 lone 2 57 - 4 - HD3 LYS 64 - HE3 LYS 17 lone 2 92 - 3 - HD3 LYS 64 - HE2 LYS 17 lone 2 87 - 2 - HB3 LYS 26 - HE3 LYS 17 lone 2 98 - 2 - HD2 LYS 56 - HE2 LYS 65 lone 2 46 - 3 - HG2 GLU 37 - HE3 LYS 17 lone 2 99 - 2 - HG2 GLU 37 - HE2 LYS 17 lone 2 95 - 2 - HD3 LYS 64 - HE2 LYS 65 lone 2 60 - 3 - HB3 LYS 26 - HE2 LYS 17 lone 2 94 - 2 - HG3 ARG 27 - HE2 LYS 65 lone 1 67 - 2 - HD2 LYS 56 - HE3 LYS 65 lone 1 38 - 3 - HG2 GLU 37 - HE2 LYS 65 lone 1 68 - 2 - HD3 LYS 64 - HE3 LYS 65 lone 1 50 - 3 - HB2 LEU 85 - HE3 LYS 17 lone 1 100 - 1 - HB2 LEU 85 - HE2 LYS 17 lone 1 97 - 1 - HG LEU 34 - HE2 LYS 65 lone 1 69 - 2 - HB2 LEU 85 - HE2 LYS 65 lone 1 70 - 1 - HG3 ARG 27 - HE3 LYS 65 lone 1 56 - 2 - HG2 GLU 37 - HE3 LYS 65 lone 1 58 - 2 - QB ALA 72 - HE2 LYS 65 lone 1 58 - 2 - HB2 ARG 45 - HE3 LYS 17 lone 1 100 - 1 - HB2 ARG 45 - HE2 LYS 17 lone 1 97 - 1 - HG LEU 34 - HE3 LYS 65 lone 1 58 - 2 - HB2 LEU 85 - HE3 LYS 65 lone 1 59 - 1 - HB2 ARG 45 - HE2 LYS 65 lone 1 71 - 1 - QB ALA 72 - HE3 LYS 65 lone 1 49 - 2 - HB3 LEU 87 - HE2 LYS 65 lone 1 46 - 2 - QB ALA 71 - HE2 LYS 65 lone 1 65 - 1 - HB2 ARG 45 - HE3 LYS 65 lone 1 60 - 1 - HB3 LYS 26 - HE2 LYS 65 lone 1 67 - 1 - HB3 LEU 87 - HE3 LYS 17 lone 1 76 - 1 - HB3 LEU 87 - HE3 LYS 65 lone 1 38 - 1 - HB3 LEU 87 - HE2 LYS 17 lone 1 71 - 1 - QB ALA 71 - HE3 LYS 65 lone 1 54 - 1 - HB3 LYS 26 - HE3 LYS 65 lone 0 56 - 1 - Peak 1417 from cnoeabs.peaks (2.85, 2.86, 41.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 17 + HE3 LYS 17 OK 97 97 - 100 HE2 LYS 17 + HE2 LYS 17 OK 97 97 - 100 Reference assignment not found: HE2 LYS 17 - HE3 LYS 17 Peak 1418 from cnoeabs.peaks (2.86, 2.86, 41.78 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 17 + HE3 LYS 17 OK 100 100 - 100 HE2 LYS 17 + HE2 LYS 17 OK 93 93 - 100 HE2 LYS 65 - HE2 LYS 65 OK 43 43 - 100 HE3 LYS 65 - HE3 LYS 65 OK 29 29 - 100 Peak 1419 from cnoeabs.peaks (8.78, 4.85, 50.95 ppm; 5.72 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 18 + HA ASN 18 OK 100 100 - 100 - 3.0=100 H PHE 57 - HA ASN 18 OK 28 93 - 30 - 3821/4.8=5, 561=4...(11) H LEU 34 - HA ASN 18 OK 17 99 - 17 - 6149/4258=5, ~2068=4...(5) H GLY 54 - HA ASN 18 lone 8 100 - 8 - 6149/4258=1, ~2563=1...(4) Peak 1420 from cnoeabs.peaks (4.85, 4.85, 50.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 18 + HA ASN 18 OK 100 100 - 100 Peak 1421 from cnoeabs.peaks (2.86, 4.85, 50.95 ppm; 3.63 A): 2 out of 10 assignments used, quality = 1.00: * HB2 ASN 18 + HA ASN 18 OK 100 100 - 100 - 3.0=100 HB3 ASN 18 + HA ASN 18 OK 100 100 - 100 - 3.0=100 HB3 ASN 24 - HA ASN 18 OK 22 100 - 22 - 1426=4, ~1637=2, ~1629=2...(12) HE3 LYS 17 - HA ASN 18 OK 20 100 - 20 - 1400/4.8=5, 562/3.0=3...(7) HE2 LYS 17 - HA ASN 18 OK 19 95 - 20 - 1400/4.8=5, 562/3.0=3...(7) HB3 ASN 63 - HA ASN 18 lone 9 100 - 9 - ~2808=1 HB3 TYR 32 - HA ASN 18 lone 8 100 - 8 - 562/3.0=1, ~2017=1 HE2 LYS 65 - HA ASN 18 lone 3 78 - 4 - HB2 ASN 90 - HA ASN 18 lone 3 65 - 4 - HE3 LYS 65 - HA ASN 18 lone 2 68 - 3 - Peak 1422 from cnoeabs.peaks (2.86, 4.85, 50.95 ppm; 3.63 A): 2 out of 10 assignments used, quality = 1.00: * HB3 ASN 18 + HA ASN 18 OK 100 100 - 100 - 3.0=100 HB2 ASN 18 + HA ASN 18 OK 100 100 - 100 - 3.0=100 HB3 ASN 24 - HA ASN 18 OK 22 100 - 22 - 1426=4, ~1637=2, ~1629=2...(12) HE3 LYS 17 - HA ASN 18 OK 20 100 - 20 - 1400/4.8=5, 562/3.0=3...(7) HE2 LYS 17 - HA ASN 18 OK 18 93 - 20 - 1400/4.8=5, 562/3.0=3...(7) HB3 ASN 63 - HA ASN 18 lone 9 100 - 9 - ~2808=1 HB3 TYR 32 - HA ASN 18 lone 8 100 - 8 - 562/3.0=1, ~2017=1 HE2 LYS 65 - HA ASN 18 lone 3 81 - 4 - HB2 ASN 90 - HA ASN 18 lone 2 63 - 4 - HE3 LYS 65 - HA ASN 18 lone 2 71 - 3 - Peak 1425 from cnoeabs.peaks (8.78, 2.86, 38.54 ppm; 3.81 A): 2 out of 16 assignments used, quality = 1.00: * H ASN 18 + HB2 ASN 18 OK 94 100 - 94 - 3.9=91, 563/1.8=12...(8) H ASN 18 + HB3 ASN 18 OK 94 100 - 94 - 3.9=91, 563/1.8=12...(8) H ASN 18 - HB3 ASN 24 OK 12 90 - 13 - 3.0/1426=3, 563=2...(4) H PHE 57 - HB2 ASN 18 poor 10 93 - 11 - 1419/3.0=3, 4322/4.8=1 H PHE 57 - HB3 ASN 18 poor 10 93 - 11 - 1419/3.0=3, 4322/4.8=1 H LEU 34 - HB2 ASN 18 lone 6 99 - 6 - 1419/3.0=2, 4.6/145=1 H LEU 34 - HB3 ASN 18 lone 6 99 - 6 - 1419/3.0=2, 4.6/145=1 H PHE 57 - HB2 ASN 90 lone 5 55 - 8 - ~3692=2, 248/3.0=2...(4) H LEU 34 - HB3 ASN 24 lone 4 87 - 5 - 4.6/145=1 H GLY 54 - HB2 ASN 18 lone 3 100 - 3 - H GLY 54 - HB3 ASN 18 lone 3 100 - 3 - H GLY 54 - HB3 ASN 24 lone 2 90 - 3 - 234/1.8=1 H PHE 57 - HB3 ASN 24 lone 2 80 - 3 - H ASN 18 - HB2 ASN 90 lone 2 65 - 3 - H LEU 34 - HB2 ASN 90 lone 1 62 - 1 - H GLY 54 - HB2 ASN 90 lone 1 65 - 1 - Peak 1426 from cnoeabs.peaks (4.85, 2.86, 38.54 ppm; 3.77 A): 2 out of 4 assignments used, quality = 1.00: * HA ASN 18 + HB2 ASN 18 OK 100 100 - 100 - 3.0=100 HA ASN 18 + HB3 ASN 18 OK 100 100 - 100 - 3.0=100 HA ASN 18 - HB3 ASN 24 OK 21 90 - 23 - 1422=4, ~1637=2, ~1629=2...(13) HA ASN 18 - HB2 ASN 90 lone 3 65 - 4 - Peak 1427 from cnoeabs.peaks (2.86, 2.86, 38.54 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HB2 ASN 18 + HB2 ASN 18 OK 100 100 - 100 HB3 ASN 18 + HB3 ASN 18 OK 100 100 - 100 HB3 ASN 24 + HB3 ASN 24 OK 90 90 - 100 HB2 ASN 90 - HB2 ASN 90 OK 35 35 - 100 Peak 1428 from cnoeabs.peaks (2.86, 2.86, 38.54 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: HB3 ASN 18 + HB3 ASN 18 OK 100 100 - 100 HB2 ASN 18 + HB2 ASN 18 OK 100 100 - 100 HB3 ASN 24 + HB3 ASN 24 OK 90 90 - 100 HB2 ASN 90 - HB2 ASN 90 OK 34 34 - 100 Reference assignment not found: HB3 ASN 18 - HB2 ASN 18 Peak 1429 from cnoeabs.peaks (7.92, 2.86, 38.54 ppm; 3.82 A): 2 out of 8 assignments used, quality = 1.00: * HD21 ASN 18 + HB2 ASN 18 OK 100 100 - 100 - 3.5=100 HD21 ASN 18 + HB3 ASN 18 OK 100 100 - 100 - 3.5=100 HD21 ASN 18 - HB3 ASN 24 OK 19 90 - 21 - 437=4, 1.7/443=3...(10) H HIS 15 - HB2 ASN 18 lone 2 96 - 2 - ~1303=1 H HIS 15 - HB3 ASN 18 lone 2 96 - 2 - ~1303=1 HD21 ASN 18 - HB2 ASN 90 lone 2 65 - 3 - H HIS 15 - HB3 ASN 24 lone 1 83 - 1 - H HIS 15 - HB2 ASN 90 lone 0 58 - 1 - Peak 1430 from cnoeabs.peaks (7.12, 2.86, 38.54 ppm; 4.02 A): 5 out of 12 assignments used, quality = 1.00: * HD22 ASN 18 + HB2 ASN 18 OK 100 100 - 100 - 3.5=100 HD22 ASN 18 + HB3 ASN 18 OK 100 100 - 100 - 3.5=100 H MET 21 + HB3 ASN 18 OK 63 100 - 63 - 4429=11, 4429/1.8=9...(17) H MET 21 + HB2 ASN 18 OK 63 100 - 63 - 4429=11, 4429/1.8=9...(17) H MET 21 + HB3 ASN 24 OK 61 90 - 68 - ~4157=16, ~4158=12...(16) HD22 ASN 18 - HB3 ASN 24 OK 24 90 - 27 - 443=4, 1.7/1429=3...(13) H MET 21 - HB2 ASN 90 lone 3 65 - 4 - 1021/4.0=2 HD22 ASN 18 - HB2 ASN 90 lone 3 65 - 4 - HD2 HIS 42 - HB2 ASN 18 lone 1 63 - 2 - HD2 HIS 42 - HB3 ASN 18 lone 1 63 - 2 - HD2 HIS 42 - HB3 ASN 24 lone 1 51 - 2 - HD2 HIS 42 - HB2 ASN 90 lone 0 34 - 1 - Peak 1431 from cnoeabs.peaks (8.78, 2.86, 38.54 ppm; 3.81 A): 2 out of 16 assignments used, quality = 1.00: * H ASN 18 + HB3 ASN 18 OK 94 100 - 94 - 3.9=91, 563/1.8=12...(8) H ASN 18 + HB2 ASN 18 OK 94 100 - 94 - 3.9=91, 563/1.8=12...(8) H ASN 18 - HB3 ASN 24 OK 12 90 - 13 - 3.0/1426=3, 563=2...(4) H PHE 57 - HB3 ASN 18 poor 10 93 - 11 - 1419/3.0=3, 4322/4.8=1 H PHE 57 - HB2 ASN 18 poor 10 93 - 11 - 1419/3.0=3, 4322/4.8=1 H LEU 34 - HB2 ASN 18 lone 6 99 - 6 - 1419/3.0=2, 4.6/145=1 H LEU 34 - HB3 ASN 18 lone 6 99 - 6 - 1419/3.0=2, 4.6/145=1 H PHE 57 - HB2 ASN 90 lone 4 53 - 8 - ~3692=2, 248/3.0=2...(4) H LEU 34 - HB3 ASN 24 lone 4 87 - 5 - 4.6/145=1 H GLY 54 - HB2 ASN 18 lone 3 100 - 3 - H GLY 54 - HB3 ASN 18 lone 3 100 - 3 - H GLY 54 - HB3 ASN 24 lone 2 90 - 3 - 234/1.8=1 H PHE 57 - HB3 ASN 24 lone 2 80 - 3 - H ASN 18 - HB2 ASN 90 lone 2 62 - 3 - H LEU 34 - HB2 ASN 90 lone 1 59 - 1 - H GLY 54 - HB2 ASN 90 lone 1 62 - 1 - Peak 1432 from cnoeabs.peaks (4.85, 2.86, 38.54 ppm; 3.77 A): 2 out of 4 assignments used, quality = 1.00: * HA ASN 18 + HB3 ASN 18 OK 100 100 - 100 - 3.0=100 HA ASN 18 + HB2 ASN 18 OK 100 100 - 100 - 3.0=100 HA ASN 18 - HB3 ASN 24 OK 21 90 - 23 - 1422=4, ~1637=2, ~1629=2...(13) HA ASN 18 - HB2 ASN 90 lone 3 62 - 4 - Peak 1433 from cnoeabs.peaks (2.86, 2.86, 38.54 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: HB3 ASN 18 + HB3 ASN 18 OK 100 100 - 100 HB2 ASN 18 + HB2 ASN 18 OK 100 100 - 100 HB3 ASN 24 + HB3 ASN 24 OK 90 90 - 100 HB2 ASN 90 - HB2 ASN 90 OK 34 34 - 100 Reference assignment not found: HB2 ASN 18 - HB3 ASN 18 Peak 1434 from cnoeabs.peaks (2.86, 2.86, 38.54 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HB3 ASN 18 + HB3 ASN 18 OK 100 100 - 100 HB2 ASN 18 + HB2 ASN 18 OK 100 100 - 100 HB3 ASN 24 + HB3 ASN 24 OK 89 89 - 100 HB2 ASN 90 - HB2 ASN 90 OK 32 32 - 100 Peak 1435 from cnoeabs.peaks (7.92, 2.86, 38.54 ppm; 3.82 A): 2 out of 8 assignments used, quality = 1.00: * HD21 ASN 18 + HB3 ASN 18 OK 100 100 - 100 - 3.5=100 HD21 ASN 18 + HB2 ASN 18 OK 100 100 - 100 - 3.5=100 HD21 ASN 18 - HB3 ASN 24 OK 19 90 - 21 - 437=4, 1.7/443=3...(10) H HIS 15 - HB3 ASN 18 lone 2 96 - 2 - ~1303=1 H HIS 15 - HB2 ASN 18 lone 2 96 - 2 - ~1303=1 HD21 ASN 18 - HB2 ASN 90 lone 2 62 - 3 - H HIS 15 - HB3 ASN 24 lone 1 82 - 1 - H HIS 15 - HB2 ASN 90 lone 0 55 - 1 - Peak 1436 from cnoeabs.peaks (7.12, 2.86, 38.54 ppm; 4.02 A): 5 out of 12 assignments used, quality = 1.00: * HD22 ASN 18 + HB3 ASN 18 OK 100 100 - 100 - 3.5=100 HD22 ASN 18 + HB2 ASN 18 OK 100 100 - 100 - 3.5=100 H MET 21 + HB3 ASN 18 OK 63 100 - 63 - 4429=11, 4429/1.8=9...(17) H MET 21 + HB2 ASN 18 OK 63 100 - 63 - 4429=11, 4429/1.8=9...(17) H MET 21 + HB3 ASN 24 OK 61 90 - 68 - ~4157=16, 4429=12...(16) HD22 ASN 18 - HB3 ASN 24 OK 24 90 - 27 - 443=4, 1.7/1429=3...(13) H MET 21 - HB2 ASN 90 lone 3 62 - 4 - 1021/4.0=2 HD22 ASN 18 - HB2 ASN 90 lone 3 62 - 4 - HD2 HIS 42 - HB3 ASN 18 lone 1 63 - 2 - HD2 HIS 42 - HB2 ASN 18 lone 1 63 - 2 - HD2 HIS 42 - HB3 ASN 24 lone 1 51 - 2 - HD2 HIS 42 - HB2 ASN 90 lone 0 32 - 1 - Peak 1437 from cnoeabs.peaks (3.99, 4.02, 50.75 ppm; 3.63 A): 1 out of 7 assignments used, quality = 1.00: * HA PRO 19 + HD2 PRO 19 OK 100 100 - 100 - 3.6=100 HA LEU 79 - HD2 PRO 19 OK 41 85 - 49 - 2.9/891=7, 2.9/3392=7...(17) HA3 GLY 16 - HD2 PRO 19 OK 19 92 - 20 - 3.6/3830=4, 4312/4353=3...(9) HA ALA 72 - HD2 PRO 19 OK 18 68 - 27 - 1472/2.3=3, 1479/2.3=3...(11) HA GLU 25 - HD2 PRO 19 OK 18 92 - 19 - 1640/3.0=3, 1640/3.0=3...(6) HA ALA 71 - HD2 PRO 19 OK 16 81 - 20 - ~1066=4, 1472/2.3=3...(10) HB3 SER 62 - HD2 PRO 19 lone 7 100 - 7 - 1479/2.3=1, 1444/1.8=1 Peak 1438 from cnoeabs.peaks (1.98, 4.02, 50.75 ppm; 3.85 A): 5 out of 12 assignments used, quality = 1.00: * HB2 PRO 19 + HD2 PRO 19 OK 100 100 - 100 - 3.0=100 HB3 PRO 19 + HD2 PRO 19 OK 100 100 - 100 - 3.0=100 HG2 PRO 19 + HD2 PRO 19 OK 83 83 - 100 - 2.3=100 HG2 PRO 84 + HD2 PRO 19 OK 74 90 - 82 - 3562/1.8=12, 2.3/1443=12...(41) HB3 PRO 81 + HD2 PRO 19 OK 46 97 - 48 - 3.0/5916=6, 2.3/1441=4...(25) HB2 LYS 78 - HD2 PRO 19 OK 35 93 - 38 - 4.4/891=5, 3300/2.3=5...(18) HB2 LEU 34 - HD2 PRO 19 OK 22 92 - 24 - ~4373=2, 2075/4.8=2...(11) HB2 GLU 25 - HD2 PRO 19 OK 18 95 - 19 - 1645/3.6=3, 3.0/1437=2...(8) HB2 GLN 58 - HD2 PRO 19 OK 15 85 - 17 - ~2747=2, 1.8/1441=1...(8) HE3 LYS 68 - HD2 PRO 19 OK 12 99 - 12 - 3.7/4349=2, 4.9/4355=1 HB2 GLU 77 - HD2 PRO 19 poor 9 81 - 11 - 4.1/5820=2, ~4369=2 HB2 GLU 51 - HD2 PRO 19 lone 4 96 - 4 - Peak 1439 from cnoeabs.peaks (1.98, 4.02, 50.75 ppm; 3.85 A): 4 out of 12 assignments used, quality = 1.00: * HB3 PRO 19 + HD2 PRO 19 OK 100 100 - 100 - 3.0=100 HB2 PRO 19 + HD2 PRO 19 OK 100 100 - 100 - 3.0=100 HG2 PRO 84 + HD2 PRO 19 OK 79 96 - 82 - 3562/1.8=13, 2.3/1443=12...(41) HG2 PRO 19 + HD2 PRO 19 OK 73 73 - 100 - 2.3=100 HB3 PRO 81 - HD2 PRO 19 OK 44 93 - 48 - 3.0/5916=6, 2.3/1441=4...(25) HB2 LYS 78 - HD2 PRO 19 OK 37 97 - 38 - 3300/2.3=5, 4.4/891=5...(18) HB2 LEU 34 - HD2 PRO 19 OK 23 97 - 24 - 2075/4.8=2, ~4373=2...(11) HB2 GLU 25 - HD2 PRO 19 OK 19 98 - 19 - 1645/3.6=3, 3.0/1437=2...(8) HB2 GLN 58 - HD2 PRO 19 OK 13 76 - 17 - ~2747=2, 1.8/1441=1...(8) HE3 LYS 68 - HD2 PRO 19 OK 12 100 - 12 - 3.7/4349=2, 4.9/4355=1 HB2 GLU 77 - HD2 PRO 19 poor 8 71 - 11 - 4.1/5820=2, ~4369=2 HB2 GLU 51 - HD2 PRO 19 lone 4 90 - 4 - Peak 1440 from cnoeabs.peaks (1.96, 4.02, 50.75 ppm; 3.85 A): 5 out of 15 assignments used, quality = 1.00: * HG2 PRO 19 + HD2 PRO 19 OK 100 100 - 100 - 2.3=100 HB2 PRO 19 + HD2 PRO 19 OK 83 83 - 100 - 3.0=100 HG3 PRO 84 + HD2 PRO 19 OK 80 97 - 83 - 2.3/1443=12, 3569/1.8=10...(41) HB3 PRO 19 + HD2 PRO 19 OK 73 73 - 100 - 3.0=100 HB3 PRO 81 + HD2 PRO 19 OK 46 97 - 48 - 3.0/5916=6, 2.3/1441=4...(25) HB VAL 20 - HD2 PRO 19 OK 26 78 - 33 - 4.0/57=14, 2.1/4352=3...(12) HB3 GLU 22 - HD2 PRO 19 OK 25 89 - 29 - 4146/3.6=4, ~4369=3...(13) HB2 GLN 58 - HD2 PRO 19 OK 19 100 - 19 - ~2747=2, 1.8/1441=1...(9) HB2 LEU 76 - HD2 PRO 19 OK 15 93 - 16 - 3.1/6048=2, 4145/3.6=1...(5) HB2 GLU 77 - HD2 PRO 19 OK 13 100 - 13 - 4.1/5820=2, ~4369=2, 4146/3.6=1 HB2 GLU 33 - HD2 PRO 19 OK 11 89 - 13 - 3912/4.8=2, 3.0/4345=2 HE3 LYS 68 - HD2 PRO 19 poor 7 65 - 10 - 3.7/4349=2, 4.9/4355=1 QE MET 48 - HD2 PRO 19 lone 5 60 - 9 - ~4888=2, 4920/4.8=1 HB2 GLU 51 - HD2 PRO 19 lone 4 99 - 4 - HB VAL 47 - HD2 PRO 19 lone 4 60 - 7 - ~4375=1 Peak 1441 from cnoeabs.peaks (1.87, 4.02, 50.75 ppm; 4.03 A): 4 out of 12 assignments used, quality = 1.00: * HG3 PRO 19 + HD2 PRO 19 OK 100 100 - 100 - 2.3=100 HB3 PRO 84 + HD2 PRO 19 OK 82 95 - 87 - 3.0/1443=11, 1476/2.3=10...(47) HG2 PRO 81 + HD2 PRO 19 OK 56 99 - 57 - 2.3/5916=8, 1476/2.3=6...(27) HB3 LYS 78 + HD2 PRO 19 OK 50 100 - 50 - 4.4/891=5, 5819/3.6=5...(21) HB ILE 35 - HD2 PRO 19 OK 30 99 - 30 - 3.2/4353=5, ~4375=4...(15) HB VAL 66 - HD2 PRO 19 OK 25 71 - 35 - 2.1/4350=7, ~5461=6...(12) HB2 GLU 22 - HD2 PRO 19 OK 23 71 - 32 - 4144/3.6=6, ~4369=4...(15) HB3 GLN 58 - HD2 PRO 19 OK 17 73 - 23 - 1476/2.3=2, 2747/3.0=2...(12) HB3 GLU 37 - HD2 PRO 19 lone 10 99 - 9 - ~2185=1 HB2 GLU 49 - HD2 PRO 19 lone 6 78 - 7 - HB3 MET 11 - HD2 PRO 19 lone 3 71 - 5 - HB2 MET 11 - HD2 PRO 19 lone 3 65 - 4 - Peak 1442 from cnoeabs.peaks (4.02, 4.02, 50.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 19 + HD2 PRO 19 OK 100 100 - 100 Peak 1443 from cnoeabs.peaks (3.79, 4.02, 50.75 ppm; 3.07 A): 2 out of 4 assignments used, quality = 1.00: * HD3 PRO 19 + HD2 PRO 19 OK 100 100 - 100 - 1.8=100 HD2 PRO 84 + HD2 PRO 19 OK 52 73 - 70 - 1449=13, ~3534=6...(39) HA ALA 67 - HD2 PRO 19 OK 26 98 - 26 - 1478/2.3=4, 1485/2.3=4...(12) HA2 GLY 40 - HD2 PRO 19 lone 3 71 - 5 - Peak 1444 from cnoeabs.peaks (3.99, 3.79, 50.75 ppm; 3.32 A): 2 out of 14 assignments used, quality = 0.94: * HA PRO 19 + HD3 PRO 19 OK 91 100 - 91 - 3.6=78, 1456/1.8=28...(7) HA PRO 19 + HD2 PRO 84 OK 32 73 - 44 - 3.6/1443=7, 3.8/1478=5...(17) HA LEU 79 - HD3 PRO 19 OK 28 85 - 33 - 1437/1.8=6, 1479/2.3=4...(13) HA3 GLY 16 - HD2 PRO 84 OK 22 62 - 36 - 1327/1.8=8, ~3563=5...(13) HA3 GLY 16 - HD3 PRO 19 OK 17 92 - 18 - 3.6/3831=3, 1437/1.8=3...(6) HA ALA 72 - HD3 PRO 19 OK 16 68 - 23 - 1472/2.3=3, 1437/1.8=3...(11) HA ALA 71 - HD3 PRO 19 OK 15 81 - 19 - 3.0/1066=5, 1437/1.8=2...(8) HA GLU 25 - HD3 PRO 19 OK 15 92 - 17 - 1640/3.0=3, 1640/3.0=3...(5) HB3 SER 62 - HD3 PRO 19 lone 7 100 - 7 - 1437/1.8=1 HA ALA 71 - HD2 PRO 84 lone 3 52 - 6 - 3.0/1066=3 HA LEU 79 - HD2 PRO 84 lone 3 55 - 5 - HB3 SER 62 - HD2 PRO 84 lone 2 73 - 3 - HA GLU 25 - HD2 PRO 84 lone 2 62 - 3 - HA ALA 72 - HD2 PRO 84 lone 1 43 - 3 - Peak 1445 from cnoeabs.peaks (1.98, 3.79, 50.75 ppm; 3.17 A): 7 out of 24 assignments used, quality = 1.00: * HB2 PRO 19 + HD3 PRO 19 OK 100 100 - 100 - 3.0=100 HB3 PRO 19 + HD3 PRO 19 OK 100 100 - 100 - 3.0=100 HG2 PRO 19 + HD3 PRO 19 OK 83 83 - 100 - 2.3=100 HG2 PRO 84 + HD3 PRO 19 OK 61 90 - 68 - 3562=9, 2.3/3534=7...(37) HG2 PRO 84 + HD2 PRO 84 OK 60 60 - 100 - 2.3=100 HB2 PRO 19 + HD2 PRO 84 OK 53 73 - 72 - 3.0/1443=7, 2.3/1478=6...(48) HB3 PRO 19 + HD2 PRO 84 OK 52 72 - 72 - 3.0/1443=7, 2.3/1478=6...(49) HG2 PRO 19 - HD2 PRO 84 OK 37 54 - 68 - 2.3/1443=9, 1.8/1485=6...(38) HB3 PRO 81 - HD2 PRO 84 OK 36 68 - 53 - 3480/3.0=3, ~3570=3...(35) HB3 PRO 81 - HD3 PRO 19 OK 33 97 - 34 - ~5916=3, 3480/2.3=3...(19) HB2 LYS 78 - HD3 PRO 19 OK 23 93 - 25 - 3300/2.3=4, ~5819=3...(13) HB2 LEU 34 - HD3 PRO 19 OK 15 92 - 16 - ~4373=1, 2075/4.8=1...(7) HB2 LYS 78 - HD2 PRO 84 OK 14 63 - 22 - 3300/3.0=2, 3303/2.3=2...(8) HE3 LYS 68 - HD2 PRO 84 OK 13 71 - 19 - ~5951=2, 3111/3.0=2...(6) HB2 GLN 58 - HD2 PRO 84 OK 13 55 - 23 - ~2750=2, ~3530=2...(12) HB2 GLU 25 - HD3 PRO 19 OK 12 95 - 12 - 1645/3.6=2, 3.0/1444=1 HB2 GLN 58 - HD3 PRO 19 poor 10 85 - 11 - ~2747=1 HE3 LYS 68 - HD3 PRO 19 lone 9 99 - 9 - 3.7/4358=1 HB2 LEU 34 - HD2 PRO 84 poor 7 62 - 11 - ~2084=1 HB2 GLU 77 - HD3 PRO 19 lone 5 81 - 6 - ~4369=1 HB2 GLU 51 - HD2 PRO 84 lone 4 66 - 5 - 2507/4.8=2 HB2 GLU 51 - HD3 PRO 19 lone 3 96 - 3 - HB2 GLU 25 - HD2 PRO 84 lone 2 65 - 2 - HB2 GLU 77 - HD2 PRO 84 lone 1 52 - 3 - Peak 1446 from cnoeabs.peaks (1.98, 3.79, 50.75 ppm; 3.17 A): 7 out of 24 assignments used, quality = 1.00: * HB3 PRO 19 + HD3 PRO 19 OK 100 100 - 100 - 3.0=100 HB2 PRO 19 + HD3 PRO 19 OK 100 100 - 100 - 3.0=100 HG2 PRO 19 + HD3 PRO 19 OK 73 73 - 100 - 2.3=100 HG2 PRO 84 + HD2 PRO 84 OK 66 66 - 100 - 2.3=100 HG2 PRO 84 + HD3 PRO 19 OK 65 96 - 68 - 3562=10, 2.3/3534=7...(37) HB3 PRO 19 + HD2 PRO 84 OK 53 73 - 72 - 3.0/1443=7, 2.3/1478=6...(49) HB2 PRO 19 + HD2 PRO 84 OK 52 72 - 72 - 3.0/1443=7, 2.3/1478=6...(48) HB3 PRO 81 - HD2 PRO 84 OK 33 63 - 53 - ~3570=3, 3480/3.0=3...(34) HB3 PRO 81 - HD3 PRO 19 OK 31 93 - 33 - ~5916=3, 1480/2.3=3...(19) HG2 PRO 19 - HD2 PRO 84 OK 31 46 - 67 - 2.3/1443=9, 1.8/1485=6...(38) HB2 LYS 78 - HD3 PRO 19 OK 24 97 - 25 - 3300/2.3=4, ~5819=3...(13) HB2 LYS 78 - HD2 PRO 84 OK 16 68 - 23 - 3300/3.0=3, 3303/2.3=2...(9) HB2 LEU 34 - HD3 PRO 19 OK 15 97 - 16 - 2075/4.8=2, ~4373=1...(7) HE3 LYS 68 - HD2 PRO 84 OK 14 73 - 19 - ~5951=2, 3532/1.8=2...(7) HB2 GLU 25 - HD3 PRO 19 OK 12 98 - 13 - 1645/3.6=2, 3.0/1444=1 HB2 GLN 58 - HD2 PRO 84 OK 11 48 - 23 - ~2750=2, ~3530=2...(12) HE3 LYS 68 - HD3 PRO 19 lone 9 100 - 9 - 3.7/4358=1 HB2 GLN 58 - HD3 PRO 19 poor 9 76 - 11 - ~2747=1 HB2 LEU 34 - HD2 PRO 84 poor 8 67 - 12 - ~2084=1 HB2 GLU 77 - HD3 PRO 19 lone 4 71 - 6 - ~4369=1 HB2 GLU 51 - HD2 PRO 84 lone 3 60 - 5 - 2507/4.8=2 HB2 GLU 51 - HD3 PRO 19 lone 3 90 - 3 - HB2 GLU 25 - HD2 PRO 84 lone 2 69 - 2 - HB2 GLU 77 - HD2 PRO 84 lone 1 44 - 2 - Peak 1447 from cnoeabs.peaks (1.96, 3.79, 50.75 ppm; 3.16 A): 6 out of 30 assignments used, quality = 1.00: * HG2 PRO 19 + HD3 PRO 19 OK 100 100 - 100 - 2.3=100 HB2 PRO 19 + HD3 PRO 19 OK 83 83 - 100 - 3.0=100 HB3 PRO 19 + HD3 PRO 19 OK 73 73 - 100 - 3.0=100 HG3 PRO 84 + HD3 PRO 19 OK 67 97 - 70 - 1.8/3562=7, 2.3/3534=7...(38) HG3 PRO 84 + HD2 PRO 84 OK 67 67 - 100 - 2.3=100 HG2 PRO 19 + HD2 PRO 84 OK 53 73 - 73 - 2.3/1443=9, 1478=7...(40) HB3 PRO 81 - HD2 PRO 84 OK 38 68 - 56 - 3561/2.3=4, 3533/1.8=4...(36) HB2 PRO 19 - HD2 PRO 84 OK 37 54 - 69 - 3.0/1443=7, 2.3/1478=6...(46) HB3 PRO 81 - HD3 PRO 19 OK 33 97 - 34 - ~5916=3, 1482/2.3=3...(19) HB3 PRO 19 - HD2 PRO 84 OK 32 46 - 69 - 3.0/1443=7, 2.3/1478=6...(47) HB VAL 20 - HD3 PRO 19 OK 20 78 - 26 - 4.0/58=8, 2.1/4361=2...(9) HB2 GLN 58 - HD2 PRO 84 OK 20 73 - 27 - 3561/2.3=2, 3533/1.8=2...(15) HB3 GLU 22 - HD3 PRO 19 OK 18 89 - 20 - 4146/3.6=3, ~4369=2...(7) HB2 GLN 58 - HD3 PRO 19 OK 13 100 - 13 - ~2747=1, 1482/2.3=1 HB2 LEU 76 - HD3 PRO 19 OK 11 93 - 12 - ~6048=1, 3.1/4360=1, 3.1/4361=1 HB3 GLU 22 - HD2 PRO 84 poor 8 59 - 14 - 1562/3.0=1, 3533/1.8=1 HB2 GLU 77 - HD3 PRO 19 lone 8 100 - 8 - ~4369=1 HB2 GLU 33 - HD3 PRO 19 lone 8 89 - 9 - 3912/4.8=1, 3.0/4347=1 HE3 LYS 68 - HD2 PRO 84 poor 6 41 - 16 - ~5951=2, ~3102=1...(4) HB VAL 20 - HD2 PRO 84 poor 6 50 - 12 - 4.0/58=3 HB2 GLU 51 - HD2 PRO 84 lone 5 70 - 6 - 2507/4.8=2, 5937/3.8=1 QE MET 48 - HD3 PRO 19 lone 5 60 - 8 - 3.3/4888=1 HE3 LYS 68 - HD3 PRO 19 lone 5 65 - 7 - 3.7/4358=1 HB VAL 47 - HD2 PRO 84 lone 4 37 - 10 - ~6192=2, 4.4/4872=1 HB2 LEU 76 - HD2 PRO 84 lone 4 63 - 6 - HB VAL 47 - HD3 PRO 19 lone 4 60 - 6 - 4.4/4872=1 HB2 GLU 33 - HD2 PRO 84 lone 3 59 - 6 - HB2 GLU 51 - HD3 PRO 19 lone 3 99 - 3 - HB2 GLU 77 - HD2 PRO 84 lone 3 73 - 4 - QE MET 48 - HD2 PRO 84 lone 2 37 - 6 - Peak 1448 from cnoeabs.peaks (1.87, 3.79, 50.75 ppm; 3.60 A): 5 out of 24 assignments used, quality = 1.00: * HG3 PRO 19 + HD3 PRO 19 OK 100 100 - 100 - 2.3=100 HB3 PRO 84 + HD3 PRO 19 OK 74 95 - 78 - 1476/2.3=8, 2.3/3562=8...(43) HB3 PRO 84 + HD2 PRO 84 OK 65 65 - 100 - 3.0=100 HG3 PRO 19 + HD2 PRO 84 OK 59 73 - 80 - 2.3/1443=11, 1485=10...(41) HG2 PRO 81 + HD3 PRO 19 OK 49 99 - 50 - 1476/2.3=6, ~5916=5...(26) HG2 PRO 81 - HD2 PRO 84 OK 44 71 - 62 - 3559/2.3=6, ~3570=5...(38) HB ILE 35 - HD2 PRO 84 OK 41 71 - 58 - 2118/3.6=7, ~3529=5...(28) HB3 LYS 78 - HD3 PRO 19 OK 37 100 - 37 - 5819/1.8=4, 3309/3.0=4...(18) HB ILE 35 - HD3 PRO 19 OK 26 99 - 26 - 3.2/4362=3, ~4375=3...(9) HB2 GLU 49 - HD2 PRO 84 OK 25 50 - 50 - ~4972=4, 3559/2.3=4...(26) HB VAL 66 - HD3 PRO 19 OK 23 71 - 33 - 2.1/4359=5, 2.1/5461=5...(13) HB3 LYS 78 - HD2 PRO 84 OK 21 73 - 29 - 3309/2.3=3, 3313/2.3=2...(15) HB2 GLU 22 - HD3 PRO 19 OK 19 71 - 27 - 4144/3.6=5, ~4369=3...(11) HB3 MET 11 - HD2 PRO 84 OK 15 44 - 34 - ~3530=4, ~3558=3...(15) HB3 GLN 58 - HD3 PRO 19 OK 15 73 - 20 - 1476/2.3=2, 2747/3.0=1...(7) HB3 GLN 58 - HD2 PRO 84 OK 15 46 - 32 - 2750/3.0=3, ~3530=3...(19) HB2 MET 11 - HD2 PRO 84 OK 14 41 - 34 - ~3530=4, ~3558=3...(15) HB3 GLU 37 - HD3 PRO 19 lone 9 99 - 9 - HB2 GLU 22 - HD2 PRO 84 poor 7 44 - 16 - 3559/2.3=1, 1557/2.3=1...(5) HB2 GLU 49 - HD3 PRO 19 lone 5 78 - 7 - HB3 GLU 37 - HD2 PRO 84 lone 4 71 - 6 - HB VAL 66 - HD2 PRO 84 lone 4 44 - 9 - 4.5/827=2, 2.1/4359=1 HB3 MET 11 - HD3 PRO 19 lone 3 71 - 4 - HB2 MET 11 - HD3 PRO 19 lone 2 65 - 3 - Peak 1449 from cnoeabs.peaks (4.02, 3.79, 50.75 ppm; 2.93 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 19 + HD3 PRO 19 OK 100 100 - 100 - 1.8=100 HD2 PRO 19 + HD2 PRO 84 OK 48 73 - 66 - 1443=12, ~3534=6...(36) HA LEU 79 - HD3 PRO 19 OK 30 89 - 34 - 1484/2.3=6, 1477/2.3=6...(11) HA LEU 79 - HD2 PRO 84 lone 3 59 - 5 - Peak 1450 from cnoeabs.peaks (3.79, 3.79, 50.75 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 19 + HD3 PRO 19 OK 100 100 - 100 HD2 PRO 84 + HD2 PRO 84 OK 46 46 - 100 Peak 1451 from cnoeabs.peaks (3.99, 3.99, 64.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 19 + HA PRO 19 OK 100 100 - 100 Peak 1452 from cnoeabs.peaks (1.98, 3.99, 64.88 ppm; 3.14 A): 3 out of 12 assignments used, quality = 1.00: * HB2 PRO 19 + HA PRO 19 OK 100 100 - 100 - 2.3=100 HB3 PRO 19 + HA PRO 19 OK 100 100 - 100 - 2.3=100 HG2 PRO 19 + HA PRO 19 OK 61 83 - 74 - 3.8=54, 2.3/1456=22...(5) HG2 PRO 84 - HA PRO 19 OK 33 90 - 37 - 3562/3.6=5, 2.3/4143=5...(17) HB3 PRO 81 - HA PRO 19 OK 24 97 - 25 - 2.3/4143=3, 3.0/5916=3...(14) HB2 LYS 78 - HA PRO 19 OK 23 93 - 24 - 1.8/1455=4, 2.8/5821=3...(13) HB2 GLU 25 - HA PRO 19 OK 19 95 - 20 - 1645=4, 1.8/1651=3...(8) HB2 LEU 34 - HA PRO 19 OK 11 92 - 12 - 3.1/4364=2, ~2084=2, ~2091=1 HB2 GLN 58 - HA PRO 19 OK 11 85 - 13 - 2.9/5272=2, 4.6/4142=2 HB2 GLU 77 - HA PRO 19 poor 8 81 - 10 - 4.1/5820=2 HE3 LYS 68 - HA PRO 19 lone 5 99 - 5 - HB2 GLU 51 - HA PRO 19 lone 3 96 - 3 - Peak 1453 from cnoeabs.peaks (1.98, 3.99, 64.88 ppm; 3.14 A): 3 out of 12 assignments used, quality = 1.00: * HB3 PRO 19 + HA PRO 19 OK 100 100 - 100 - 2.3=100 HB2 PRO 19 + HA PRO 19 OK 100 100 - 100 - 2.3=100 HG2 PRO 19 + HA PRO 19 OK 54 73 - 73 - 3.8=54, 2.3/1456=22...(5) HG2 PRO 84 - HA PRO 19 OK 36 96 - 37 - 3562/3.6=6, 2.3/4143=5...(17) HB2 LYS 78 - HA PRO 19 OK 24 97 - 25 - 1.8/1455=4, 2.8/5821=3...(13) HB3 PRO 81 - HA PRO 19 OK 23 93 - 25 - 2.3/4143=3, 3.0/5916=3...(14) HB2 GLU 25 - HA PRO 19 OK 20 98 - 20 - 1645=4, 1.8/1651=3...(8) HB2 LEU 34 - HA PRO 19 OK 12 97 - 12 - 3.1/4364=2, ~2084=2, ~2091=1 HB2 GLN 58 - HA PRO 19 poor 10 76 - 13 - 2.9/5272=2, 4.6/4142=2 HB2 GLU 77 - HA PRO 19 lone 7 71 - 9 - 4.1/5820=2 HE3 LYS 68 - HA PRO 19 lone 5 100 - 5 - HB2 GLU 51 - HA PRO 19 lone 3 90 - 3 - Peak 1454 from cnoeabs.peaks (1.96, 3.99, 64.88 ppm; 3.19 A): 3 out of 15 assignments used, quality = 0.99: HB2 PRO 19 + HA PRO 19 OK 83 83 - 100 - 2.3=100 * HG2 PRO 19 + HA PRO 19 OK 77 100 - 77 - 3.8=57, 2.3/1456=23...(5) HB3 PRO 19 + HA PRO 19 OK 73 73 - 100 - 2.3=100 HG3 PRO 84 - HA PRO 19 OK 37 97 - 39 - 2.3/4143=5, 3569/3.6=5...(18) HB3 GLU 22 - HA PRO 19 OK 33 89 - 37 - 1.8/4144=8, 4.0/4142=6...(9) HB3 PRO 81 - HA PRO 19 OK 25 97 - 26 - 2.3/4143=3, 3.0/5916=3...(14) HB VAL 20 - HA PRO 19 OK 19 78 - 24 - 1491/3.5=9, 4.4/4141=4...(5) HB2 LEU 76 - HA PRO 19 OK 16 93 - 17 - 3.1/4365=7, 3.1/4366=2...(4) HB2 GLN 58 - HA PRO 19 OK 15 100 - 14 - 2.9/5272=2, 4.6/4142=2...(5) HB2 GLU 77 - HA PRO 19 OK 14 100 - 14 - 4.1/5820=2, 4146=2 HB2 GLU 33 - HA PRO 19 lone 4 89 - 5 - HB2 GLU 51 - HA PRO 19 lone 3 99 - 3 - HE3 LYS 68 - HA PRO 19 lone 3 65 - 4 - QE MET 48 - HA PRO 19 lone 2 60 - 3 - HB VAL 47 - HA PRO 19 lone 1 60 - 1 - Peak 1455 from cnoeabs.peaks (1.87, 3.99, 64.88 ppm; 3.69 A): 2 out of 12 assignments used, quality = 0.97: * HG3 PRO 19 + HA PRO 19 OK 94 100 - 94 - 3.8=88, 2.3/1456=28...(7) HB3 PRO 84 + HA PRO 19 OK 47 95 - 50 - 3553/2.3=6, 1476/3.8=6...(19) HB3 LYS 78 - HA PRO 19 OK 41 100 - 41 - 3309/2.3=5, 5819=5...(16) HG2 PRO 81 - HA PRO 19 OK 41 99 - 41 - 56/3.5=5, 2.3/5916=5...(15) HB2 GLU 22 - HA PRO 19 OK 34 71 - 48 - 4144=9, 4.0/4142=9...(13) HB3 GLN 58 - HA PRO 19 OK 15 73 - 20 - 2.9/5272=3, 4.6/4142=3...(8) HB ILE 35 - HA PRO 19 OK 12 99 - 12 - 1441/3.6=2, 1476/3.8=1...(4) HB VAL 66 - HA PRO 19 OK 11 71 - 16 - 2.1/4364=5, ~6027=2...(5) HB2 GLU 49 - HA PRO 19 lone 6 78 - 8 - HB3 GLU 37 - HA PRO 19 lone 6 99 - 6 - HB3 MET 11 - HA PRO 19 lone 2 71 - 3 - HB2 MET 11 - HA PRO 19 lone 2 65 - 2 - Peak 1456 from cnoeabs.peaks (4.02, 3.99, 64.88 ppm; 2.92 A): 2 out of 2 assignments used, quality = 0.80: * HD2 PRO 19 + HA PRO 19 OK 71 100 - 71 - 3.6=54, 1.8/1444=10...(6) HA LEU 79 + HA PRO 19 OK 32 89 - 36 - 1484/3.8=4, 57/3.5=4...(14) Peak 1457 from cnoeabs.peaks (3.79, 3.99, 64.88 ppm; 5.22 A): 2 out of 4 assignments used, quality = 1.00: * HD3 PRO 19 + HA PRO 19 OK 100 100 - 100 - 3.6=100 HD2 PRO 84 + HA PRO 19 OK 54 73 - 73 - 1443/3.6=13, 1478/3.8=11...(18) HA ALA 67 - HA PRO 19 OK 36 98 - 37 - 1478/3.8=8, 1485/3.8=8...(8) HA2 GLY 40 - HA PRO 19 OK 12 71 - 17 - 3.0/4147=7, 58/3.5=2...(7) Peak 1458 from cnoeabs.peaks (3.99, 1.98, 32.46 ppm; 3.41 A): 2 out of 14 assignments used, quality = 1.00: * HA PRO 19 + HB2 PRO 19 OK 100 100 - 100 - 2.3=100 HA PRO 19 + HB3 PRO 19 OK 100 100 - 100 - 2.3=100 HA ALA 72 - HB2 PRO 19 OK 32 68 - 47 - 3.6/4343=7, 2.1/5681=7...(19) HA LEU 79 - HB2 PRO 19 OK 32 85 - 38 - 1437/3.0=5, 1479/2.3=4...(17) HA ALA 72 - HB3 PRO 19 OK 32 67 - 47 - 3.6/4343=7, 2.1/5681=6...(19) HA LEU 79 - HB3 PRO 19 OK 31 84 - 38 - 1437/3.0=5, 1479/2.3=4...(17) HA GLU 25 - HB2 PRO 19 OK 30 92 - 33 - 1640=5, 1640/1.8=4...(17) HA GLU 25 - HB3 PRO 19 OK 30 91 - 33 - 1640=5, 1640/1.8=4...(17) HA ALA 71 - HB2 PRO 19 OK 20 81 - 25 - 3.6/5667=3, ~1066=3...(10) HA ALA 71 - HB3 PRO 19 OK 19 80 - 24 - 3.6/5667=3, ~1066=3...(10) HA3 GLY 16 - HB2 PRO 19 OK 16 92 - 18 - 3820/3.5=4, 1437/3.0=2...(7) HA3 GLY 16 - HB3 PRO 19 OK 16 91 - 18 - 3820/3.5=4, 1437/3.0=2...(7) HB3 SER 62 - HB2 PRO 19 lone 7 100 - 7 - 1479/2.3=1 HB3 SER 62 - HB3 PRO 19 lone 7 100 - 7 - 1479/2.3=1 Peak 1459 from cnoeabs.peaks (1.98, 1.98, 32.46 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 19 + HB2 PRO 19 OK 100 100 - 100 HB3 PRO 19 + HB3 PRO 19 OK 100 100 - 100 Peak 1460 from cnoeabs.peaks (1.98, 1.98, 32.46 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 PRO 19 + HB3 PRO 19 OK 100 100 - 100 HB2 PRO 19 + HB2 PRO 19 OK 100 100 - 100 Reference assignment not found: HB3 PRO 19 - HB2 PRO 19 Peak 1461 from cnoeabs.peaks (1.96, 1.98, 32.46 ppm; diagonal): 2 out of 2 assignments used, quality = 0.95: HB2 PRO 19 + HB2 PRO 19 OK 83 83 - 100 HB3 PRO 19 + HB3 PRO 19 OK 73 73 - 100 Reference assignment not found: HG2 PRO 19 - HB2 PRO 19 Peak 1462 from cnoeabs.peaks (1.87, 1.98, 32.46 ppm; 2.95 A): 6 out of 24 assignments used, quality = 1.00: * HG3 PRO 19 + HB2 PRO 19 OK 100 100 - 100 - 2.3=100 HG3 PRO 19 + HB3 PRO 19 OK 100 100 - 100 - 2.3=100 HB3 PRO 84 + HB2 PRO 19 OK 66 95 - 70 - 1476/2.3=6, 3553=6...(52) HB3 PRO 84 + HB3 PRO 19 OK 66 94 - 70 - 1476/2.3=6, 3553=6...(52) HG2 PRO 81 + HB2 PRO 19 OK 50 99 - 50 - 3486=5, 1476/2.3=4...(25) HG2 PRO 81 + HB3 PRO 19 OK 49 99 - 50 - 3486=5, 1476/2.3=4...(25) HB3 LYS 78 - HB3 PRO 19 OK 41 100 - 41 - 3309=5, 3309/1.8=4...(24) HB3 LYS 78 - HB2 PRO 19 OK 41 100 - 41 - 3309=5, 3309/1.8=4...(24) HB2 GLU 22 - HB2 PRO 19 OK 21 71 - 29 - 4144/2.3=4, 3.0/4164=3...(12) HB2 GLU 22 - HB3 PRO 19 OK 20 70 - 29 - 4144/2.3=4, 3.0/4164=3...(12) HB ILE 35 - HB2 PRO 19 OK 18 99 - 18 - ~4375=2, 1476/2.3=2...(4) HB ILE 35 - HB3 PRO 19 OK 17 99 - 18 - ~4375=2, 1476/2.3=2...(4) HB3 GLN 58 - HB2 PRO 19 OK 16 73 - 21 - 2747=2, 2747/2.3=1...(7) HB3 GLN 58 - HB3 PRO 19 OK 15 73 - 21 - 2747/2.3=1, 2747/1.8=1...(5) HB VAL 66 - HB2 PRO 19 OK 15 71 - 21 - ~5461=2, 2.1/6027=2...(10) HB VAL 66 - HB3 PRO 19 OK 15 70 - 21 - ~5461=2, ~4374=2...(10) HB3 GLU 37 - HB2 PRO 19 lone 6 99 - 6 - HB3 GLU 37 - HB3 PRO 19 lone 6 99 - 6 - HB2 GLU 49 - HB2 PRO 19 lone 4 78 - 5 - HB2 GLU 49 - HB3 PRO 19 lone 4 77 - 5 - HB3 MET 11 - HB2 PRO 19 lone 2 71 - 3 - HB3 MET 11 - HB3 PRO 19 lone 2 70 - 3 - HB2 MET 11 - HB2 PRO 19 lone 2 65 - 3 - HB2 MET 11 - HB3 PRO 19 lone 2 65 - 3 - Peak 1463 from cnoeabs.peaks (4.02, 1.98, 32.46 ppm; 3.70 A): 4 out of 4 assignments used, quality = 1.00: * HD2 PRO 19 + HB2 PRO 19 OK 100 100 - 100 - 3.0=100 HD2 PRO 19 + HB3 PRO 19 OK 100 100 - 100 - 3.0=100 HA LEU 79 + HB2 PRO 19 OK 49 89 - 55 - 1456/2.3=13, 1484/2.3=10...(16) HA LEU 79 + HB3 PRO 19 OK 49 88 - 55 - 1456/2.3=13, 1484/2.3=10...(16) Peak 1464 from cnoeabs.peaks (3.79, 1.98, 32.46 ppm; 4.31 A): 4 out of 8 assignments used, quality = 1.00: * HD3 PRO 19 + HB2 PRO 19 OK 100 100 - 100 - 3.0=100 HD3 PRO 19 + HB3 PRO 19 OK 100 100 - 100 - 3.0=100 HD2 PRO 84 + HB2 PRO 19 OK 68 73 - 92 - 1443/3.0=12, 1478/2.3=11...(60) HD2 PRO 84 + HB3 PRO 19 OK 67 73 - 92 - 1443/3.0=12, 1478/2.3=11...(60) HA ALA 67 - HB2 PRO 19 OK 44 98 - 44 - 1478/2.3=8, 1485/2.3=8...(12) HA ALA 67 - HB3 PRO 19 OK 43 98 - 44 - 1478/2.3=8, 1485/2.3=8...(12) HA2 GLY 40 - HB2 PRO 19 poor 10 71 - 14 - ~4147=3, 58/3.5=2...(6) HA2 GLY 40 - HB3 PRO 19 poor 10 70 - 13 - ~4147=3, 58/3.5=2...(7) Peak 1465 from cnoeabs.peaks (3.99, 1.98, 32.46 ppm; 3.45 A): 2 out of 14 assignments used, quality = 1.00: * HA PRO 19 + HB3 PRO 19 OK 100 100 - 100 - 2.3=100 HA PRO 19 + HB2 PRO 19 OK 100 100 - 100 - 2.3=100 HA LEU 79 - HB3 PRO 19 OK 32 85 - 38 - 1437/3.0=5, 1479/2.3=4...(17) HA ALA 72 - HB3 PRO 19 OK 32 68 - 47 - 3.6/4343=7, 2.1/5681=6...(19) HA LEU 79 - HB2 PRO 19 OK 32 84 - 38 - 1437/3.0=5, 1479/2.3=4...(17) HA ALA 72 - HB2 PRO 19 OK 32 67 - 48 - 3.6/4343=7, 2.1/5681=6...(19) HA GLU 25 - HB3 PRO 19 OK 31 92 - 34 - 1640=5, 1640/1.8=4...(17) HA GLU 25 - HB2 PRO 19 OK 30 91 - 34 - 1640=5, 1640/1.8=4...(17) HA ALA 71 - HB2 PRO 19 OK 20 80 - 25 - 3.6/5667=3, ~1066=3...(11) HA ALA 71 - HB3 PRO 19 OK 20 81 - 25 - 3.6/5667=3, ~1066=3...(11) HA3 GLY 16 - HB3 PRO 19 OK 17 92 - 18 - 3820/3.5=4, 1437/3.0=2...(7) HA3 GLY 16 - HB2 PRO 19 OK 17 91 - 18 - 3820/3.5=4, 1437/3.0=2...(7) HB3 SER 62 - HB2 PRO 19 lone 7 100 - 7 - 1479/2.3=1 HB3 SER 62 - HB3 PRO 19 lone 7 100 - 7 - 1479/2.3=1 Peak 1466 from cnoeabs.peaks (1.98, 1.98, 32.46 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 PRO 19 + HB3 PRO 19 OK 100 100 - 100 HB2 PRO 19 + HB2 PRO 19 OK 100 100 - 100 Reference assignment not found: HB2 PRO 19 - HB3 PRO 19 Peak 1467 from cnoeabs.peaks (1.98, 1.98, 32.46 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 19 + HB3 PRO 19 OK 100 100 - 100 HB2 PRO 19 + HB2 PRO 19 OK 100 100 - 100 Peak 1468 from cnoeabs.peaks (1.96, 1.98, 32.46 ppm; diagonal): 2 out of 2 assignments used, quality = 0.95: HB2 PRO 19 + HB2 PRO 19 OK 82 82 - 100 HB3 PRO 19 + HB3 PRO 19 OK 73 73 - 100 Reference assignment not found: HG2 PRO 19 - HB3 PRO 19 Peak 1469 from cnoeabs.peaks (1.87, 1.98, 32.46 ppm; 3.00 A): 6 out of 24 assignments used, quality = 1.00: * HG3 PRO 19 + HB3 PRO 19 OK 100 100 - 100 - 2.3=100 HG3 PRO 19 + HB2 PRO 19 OK 100 100 - 100 - 2.3=100 HB3 PRO 84 + HB3 PRO 19 OK 68 95 - 72 - 3553=7, 1476/2.3=6...(55) HB3 PRO 84 + HB2 PRO 19 OK 68 94 - 72 - 3553=7, 1476/2.3=6...(55) HG2 PRO 81 + HB3 PRO 19 OK 51 99 - 51 - 3486=5, 1476/2.3=4...(25) HG2 PRO 81 + HB2 PRO 19 OK 51 99 - 51 - 3486=5, 1476/2.3=4...(25) HB3 LYS 78 - HB3 PRO 19 OK 43 100 - 43 - 3309=6, 3309/1.8=4...(24) HB3 LYS 78 - HB2 PRO 19 OK 42 100 - 43 - 3309=5, 3309/1.8=4...(24) HB2 GLU 22 - HB3 PRO 19 OK 22 71 - 31 - 4144/2.3=4, 3.0/4164=3...(12) HB2 GLU 22 - HB2 PRO 19 OK 21 70 - 31 - 4144/2.3=4, 3.0/4164=3...(12) HB ILE 35 - HB3 PRO 19 OK 18 99 - 19 - ~4375=2, 1476/2.3=2...(4) HB ILE 35 - HB2 PRO 19 OK 18 99 - 18 - ~4375=2, 1476/2.3=2...(4) HB3 GLN 58 - HB2 PRO 19 OK 16 73 - 21 - 2747/2.3=1, 2747=1...(6) HB3 GLN 58 - HB3 PRO 19 OK 16 73 - 21 - 2747/2.3=1, 2747/1.8=1...(6) HB VAL 66 - HB3 PRO 19 OK 15 71 - 22 - ~5461=2, ~4374=2...(10) HB VAL 66 - HB2 PRO 19 OK 15 70 - 22 - ~5461=2, ~4374=2...(10) HB3 GLU 37 - HB3 PRO 19 lone 7 99 - 7 - HB3 GLU 37 - HB2 PRO 19 lone 7 99 - 7 - HB2 GLU 49 - HB3 PRO 19 lone 4 78 - 5 - HB2 GLU 49 - HB2 PRO 19 lone 4 77 - 5 - HB3 MET 11 - HB3 PRO 19 lone 2 71 - 3 - HB3 MET 11 - HB2 PRO 19 lone 2 70 - 3 - HB2 MET 11 - HB3 PRO 19 lone 2 65 - 3 - HB2 MET 11 - HB2 PRO 19 lone 2 65 - 3 - Peak 1470 from cnoeabs.peaks (4.02, 1.98, 32.46 ppm; 3.72 A): 4 out of 4 assignments used, quality = 1.00: * HD2 PRO 19 + HB3 PRO 19 OK 100 100 - 100 - 3.0=100 HD2 PRO 19 + HB2 PRO 19 OK 100 100 - 100 - 3.0=100 HA LEU 79 + HB3 PRO 19 OK 50 89 - 56 - 1456/2.3=13, 1484/2.3=11...(16) HA LEU 79 + HB2 PRO 19 OK 49 88 - 56 - 1456/2.3=13, 1484/2.3=11...(16) Peak 1471 from cnoeabs.peaks (3.79, 1.98, 32.46 ppm; 4.35 A): 4 out of 8 assignments used, quality = 1.00: * HD3 PRO 19 + HB3 PRO 19 OK 100 100 - 100 - 3.0=100 HD3 PRO 19 + HB2 PRO 19 OK 100 100 - 100 - 3.0=100 HD2 PRO 84 + HB3 PRO 19 OK 68 73 - 93 - 1443/3.0=12, 1478/2.3=11...(60) HD2 PRO 84 + HB2 PRO 19 OK 67 73 - 93 - 1443/3.0=12, 1478/2.3=11...(60) HA ALA 67 - HB2 PRO 19 OK 44 98 - 45 - 1478/2.3=8, 1485/2.3=8...(12) HA ALA 67 - HB3 PRO 19 OK 44 98 - 44 - 1478/2.3=8, 1485/2.3=8...(12) HA2 GLY 40 - HB3 PRO 19 poor 10 71 - 14 - ~4147=3, 58/3.5=2...(7) HA2 GLY 40 - HB2 PRO 19 poor 10 70 - 14 - ~4147=3, 58/3.5=2...(7) Peak 1472 from cnoeabs.peaks (3.99, 1.96, 28.00 ppm; 4.18 A): 1 out of 7 assignments used, quality = 1.00: * HA PRO 19 + HG2 PRO 19 OK 100 100 - 100 - 3.8=100 HA LEU 79 - HG2 PRO 19 OK 41 85 - 49 - 1437/2.3=8, 1479/1.8=7...(16) HA ALA 72 - HG2 PRO 19 OK 32 68 - 47 - 2.1/4380=6, ~5681=5...(15) HA GLU 25 - HG2 PRO 19 OK 26 92 - 29 - 1640/2.3=5, 1640/2.3=5...(8) HA ALA 71 - HG2 PRO 19 OK 26 81 - 32 - ~1066=5, 2.1/4380=4...(13) HA3 GLY 16 - HG2 PRO 19 OK 23 92 - 25 - 3.6/3835=5, 3820/4.9=4...(9) HB3 SER 62 - HG2 PRO 19 lone 10 100 - 9 - 1479/1.8=2, 1437/2.3=1 Peak 1473 from cnoeabs.peaks (1.98, 1.96, 28.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.83: HG2 PRO 19 + HG2 PRO 19 OK 83 83 - 100 Reference assignment not found: HB2 PRO 19 - HG2 PRO 19 Peak 1474 from cnoeabs.peaks (1.98, 1.96, 28.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: HG2 PRO 19 + HG2 PRO 19 OK 73 73 - 100 Reference assignment not found: HB3 PRO 19 - HG2 PRO 19 Peak 1475 from cnoeabs.peaks (1.96, 1.96, 28.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 19 + HG2 PRO 19 OK 100 100 - 100 Peak 1476 from cnoeabs.peaks (1.87, 1.96, 28.00 ppm; 2.84 A): 2 out of 12 assignments used, quality = 1.00: * HG3 PRO 19 + HG2 PRO 19 OK 100 100 - 100 - 1.8=100 HB3 PRO 84 + HG2 PRO 19 OK 64 95 - 67 - 3554=8, 2.3/3561=5...(45) HG2 PRO 81 - HG2 PRO 19 OK 43 99 - 43 - 3486=5, 3486/2.3=3...(25) HB3 LYS 78 - HG2 PRO 19 OK 27 100 - 27 - 3309/2.3=3, 3309/2.3=3...(12) HB ILE 35 - HG2 PRO 19 OK 16 99 - 16 - ~4375=2, ~4353=1...(4) HB2 GLU 22 - HG2 PRO 19 OK 15 71 - 22 - 4144/3.8=2, ~4369=2...(6) HB3 GLN 58 - HG2 PRO 19 OK 14 73 - 19 - 2747=2, 2.9/2763=1...(5) HB VAL 66 - HG2 PRO 19 OK 14 71 - 20 - ~5461=2, ~4374=2...(7) HB3 GLU 37 - HG2 PRO 19 lone 6 99 - 6 - HB2 GLU 49 - HG2 PRO 19 lone 4 78 - 5 - HB3 MET 11 - HG2 PRO 19 lone 2 71 - 2 - HB2 MET 11 - HG2 PRO 19 lone 2 65 - 2 - Peak 1477 from cnoeabs.peaks (4.02, 1.96, 28.00 ppm; 4.11 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 19 + HG2 PRO 19 OK 100 100 - 100 - 2.3=100 HA LEU 79 + HG2 PRO 19 OK 52 89 - 59 - 1484/1.8=14, 1456/3.8=10...(16) Peak 1478 from cnoeabs.peaks (3.79, 1.96, 28.00 ppm; 4.11 A): 2 out of 4 assignments used, quality = 1.00: * HD3 PRO 19 + HG2 PRO 19 OK 100 100 - 100 - 2.3=100 HD2 PRO 84 + HG2 PRO 19 OK 66 73 - 90 - 1443/2.3=13, 1485/1.8=11...(51) HA ALA 67 - HG2 PRO 19 OK 45 98 - 46 - 1485/1.8=8, 1443/2.3=6...(13) HA2 GLY 40 - HG2 PRO 19 lone 6 71 - 9 - 1485/1.8=1, 1457/3.8=1, 58/4.9=1 Peak 1479 from cnoeabs.peaks (3.99, 1.87, 28.00 ppm; 4.22 A): 2 out of 7 assignments used, quality = 1.00: * HA PRO 19 + HG3 PRO 19 OK 100 100 - 100 - 3.8=100 HA LEU 79 + HG3 PRO 19 OK 49 85 - 58 - 2.9/372=8, 1437/2.3=8...(17) HA ALA 72 - HG3 PRO 19 OK 32 68 - 47 - 3.6/4348=10, 2.1/4378=6...(13) HA GLU 25 - HG3 PRO 19 OK 26 92 - 28 - 1640/2.3=5, 1640/2.3=5...(9) HA ALA 71 - HG3 PRO 19 OK 25 81 - 31 - ~1066=5, 1472/1.8=4...(12) HA3 GLY 16 - HG3 PRO 19 OK 23 92 - 25 - 3.6/3836=5, 3820/4.9=4...(9) HB3 SER 62 - HG3 PRO 19 OK 12 100 - 12 - 4.3/5392=2, 1472/1.8=1...(4) Peak 1480 from cnoeabs.peaks (1.98, 1.87, 28.00 ppm; 2.82 A): 4 out of 12 assignments used, quality = 1.00: * HB2 PRO 19 + HG3 PRO 19 OK 100 100 - 100 - 2.3=100 HB3 PRO 19 + HG3 PRO 19 OK 100 100 - 100 - 2.3=100 HG2 PRO 19 + HG3 PRO 19 OK 83 83 - 100 - 1.8=100 HG2 PRO 84 + HG3 PRO 19 OK 57 90 - 63 - 3559=6, 3562/2.3=6...(38) HB3 PRO 81 - HG3 PRO 19 OK 34 97 - 35 - 3480=4, 1.8/3473=3...(16) HB2 LYS 78 - HG3 PRO 19 OK 31 93 - 33 - 3300=5, 2.8/3320=3...(14) HB2 LEU 34 - HG3 PRO 19 OK 14 92 - 15 - 3.1/4678=2, ~4373=1...(5) HB2 GLN 58 - HG3 PRO 19 OK 11 85 - 13 - 3480=1, ~2747=1 HB2 GLU 25 - HG3 PRO 19 OK 11 95 - 12 - 1645/3.8=1, 3.0/1479=1, ~1652=1 HB2 GLU 77 - HG3 PRO 19 lone 7 81 - 9 - 4.1/883=2, 3.0/4369=2 HE3 LYS 68 - HG3 PRO 19 lone 6 99 - 6 - HB2 GLU 51 - HG3 PRO 19 lone 3 96 - 3 - Peak 1481 from cnoeabs.peaks (1.98, 1.87, 28.00 ppm; 2.82 A): 4 out of 12 assignments used, quality = 1.00: * HB3 PRO 19 + HG3 PRO 19 OK 100 100 - 100 - 2.3=100 HB2 PRO 19 + HG3 PRO 19 OK 100 100 - 100 - 2.3=100 HG2 PRO 19 + HG3 PRO 19 OK 73 73 - 100 - 1.8=100 HG2 PRO 84 + HG3 PRO 19 OK 61 96 - 64 - 3559=7, 3562/2.3=7...(38) HB3 PRO 81 - HG3 PRO 19 OK 33 93 - 35 - 3480=3, 1.8/3473=3...(16) HB2 LYS 78 - HG3 PRO 19 OK 32 97 - 33 - 3300=6, 2.8/3320=3...(14) HB2 LEU 34 - HG3 PRO 19 OK 15 97 - 15 - 3.1/4678=2, ~4373=1...(5) HB2 GLU 25 - HG3 PRO 19 OK 12 98 - 12 - 1645/3.8=2, 3.0/1479=1, ~1652=1 HB2 GLN 58 - HG3 PRO 19 OK 10 76 - 13 - ~2747=1, 3480=1 HE3 LYS 68 - HG3 PRO 19 lone 6 100 - 6 - HB2 GLU 77 - HG3 PRO 19 lone 6 71 - 8 - 4.1/883=2, 3.0/4369=2 HB2 GLU 51 - HG3 PRO 19 lone 3 90 - 3 - Peak 1482 from cnoeabs.peaks (1.96, 1.87, 28.00 ppm; 2.76 A): 4 out of 15 assignments used, quality = 1.00: * HG2 PRO 19 + HG3 PRO 19 OK 100 100 - 100 - 1.8=100 HB2 PRO 19 + HG3 PRO 19 OK 83 83 - 100 - 2.3=100 HB3 PRO 19 + HG3 PRO 19 OK 73 73 - 100 - 2.3=100 HG3 PRO 84 + HG3 PRO 19 OK 61 97 - 63 - 3566=6, 1.8/3559=5...(37) HB3 PRO 81 - HG3 PRO 19 OK 33 97 - 34 - 3480=4, 1.8/3473=3...(16) HB3 GLU 22 - HG3 PRO 19 OK 17 89 - 19 - 3.0/4369=3, 4146/3.8=2...(6) HB2 GLN 58 - HG3 PRO 19 OK 14 100 - 14 - 3480=1, ~2747=1 HB VAL 20 - HG3 PRO 19 OK 12 78 - 15 - 1491/4.9=4, 2.1/4376=2...(4) HB2 GLU 77 - HG3 PRO 19 lone 9 100 - 9 - 4.1/883=2, 3.0/4369=2 HB2 LEU 76 - HG3 PRO 19 lone 9 93 - 10 - HB2 GLU 33 - HG3 PRO 19 lone 4 89 - 5 - HE3 LYS 68 - HG3 PRO 19 lone 3 65 - 5 - HB2 GLU 51 - HG3 PRO 19 lone 3 99 - 3 - HB VAL 47 - HG3 PRO 19 lone 3 60 - 4 - QE MET 48 - HG3 PRO 19 lone 2 60 - 4 - Peak 1483 from cnoeabs.peaks (1.87, 1.87, 28.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 19 + HG3 PRO 19 OK 100 100 - 100 Peak 1484 from cnoeabs.peaks (4.02, 1.87, 28.00 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 19 + HG3 PRO 19 OK 100 100 - 100 - 2.3=100 HA LEU 79 + HG3 PRO 19 OK 57 89 - 64 - 1477/1.8=13, 1456/3.8=10...(17) Peak 1485 from cnoeabs.peaks (3.79, 1.87, 28.00 ppm; 4.13 A): 2 out of 4 assignments used, quality = 1.00: * HD3 PRO 19 + HG3 PRO 19 OK 100 100 - 100 - 2.3=100 HD2 PRO 84 + HG3 PRO 19 OK 64 73 - 88 - 1443/2.3=13, 1478/1.8=12...(43) HA ALA 67 - HG3 PRO 19 OK 44 98 - 45 - 1478/1.8=8, 1443/2.3=6...(14) HA2 GLY 40 - HG3 PRO 19 lone 7 71 - 9 - 1478/1.8=1, 1457/3.8=1, 58/4.9=1 Peak 1486 from cnoeabs.peaks (7.59, 3.38, 65.78 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 20 + HA VAL 20 OK 100 100 - 100 - 3.0=100 H LYS 17 - HA VAL 20 OK 38 100 - 38 - 1501/3.2=7, 1496/3.2=6...(11) HD21 ASN 63 - HA VAL 20 OK 16 97 - 17 - 59/3.5=4, 1501/3.2=3...(6) H LYS 44 - HA VAL 20 poor 10 78 - 13 - 59/3.5=3, 1501/3.2=2...(4) Peak 1487 from cnoeabs.peaks (3.38, 3.38, 65.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 20 + HA VAL 20 OK 100 100 - 100 Peak 1488 from cnoeabs.peaks (1.94, 3.38, 65.78 ppm; 3.57 A): 3 out of 13 assignments used, quality = 1.00: * HB VAL 20 + HA VAL 20 OK 100 100 - 100 - 3.0=100 HG3 PRO 81 + HA VAL 20 OK 57 87 - 66 - 1.8/3489=14, 3496=12...(21) HB3 GLU 22 + HA VAL 20 OK 46 100 - 46 - 4.6/4149=10, 3.0/4390=6...(16) HG2 PRO 19 - HA VAL 20 OK 40 78 - 51 - ~57=8, 3835/3.0=8, ~58=7...(18) HB2 LEU 76 - HA VAL 20 OK 39 99 - 39 - 1.8/4389=5, 3.1/4388=5...(16) HG3 PRO 84 - HA VAL 20 OK 25 97 - 26 - 1.8/4150=3, ~58=3...(11) HB2 GLU 77 - HA VAL 20 OK 21 81 - 27 - 61/3.5=4, 3.0/4390=3...(11) HB2 GLN 58 - HA VAL 20 OK 17 76 - 22 - ~5288=4, 1492=3...(9) QE MET 48 - HA VAL 20 OK 13 99 - 13 - 4924/4405=5, 4869/3.2=3 HD2 LYS 78 - HA VAL 20 OK 10 89 - 11 - 3.7/4150=1 HB2 GLU 33 - HA VAL 20 lone 10 100 - 10 - ~4399=1, 1498/3.2=1...(5) HG3 GLU 49 - HA VAL 20 lone 9 97 - 10 - 1.8/4150=2, 3.0/4150=2 HB VAL 47 - HA VAL 20 lone 4 99 - 4 - Peak 1489 from cnoeabs.peaks (0.74, 3.38, 65.78 ppm; 2.76 A): 2 out of 6 assignments used, quality = 0.93: * QG1 VAL 20 + HA VAL 20 OK 78 100 - 78 - 3.2=64, 1496/3.0=8...(12) QG2 VAL 20 + HA VAL 20 OK 70 90 - 77 - 3.2=64, 1501/3.0=10...(11) QD1 LEU 79 - HA VAL 20 OK 22 98 - 22 - 2.1/4389=4, 3.1/4152=3...(7) QD1 LEU 12 - HA VAL 20 OK 16 100 - 16 - 569/3.0=2, ~4253=2...(4) HG2 LYS 26 - HA VAL 20 OK 14 100 - 14 - 3.0/4388=2, ~4397=1...(4) QD1 LEU 30 - HA VAL 20 lone 5 73 - 7 - 4593/4405=2, 3.1/4388=1 Peak 1490 from cnoeabs.peaks (0.73, 3.38, 65.78 ppm; 2.77 A): 2 out of 7 assignments used, quality = 0.94: * QG2 VAL 20 + HA VAL 20 OK 78 100 - 78 - 3.2=65, 1501/3.0=11...(11) QG1 VAL 20 + HA VAL 20 OK 70 90 - 78 - 3.2=65, 1496/3.0=7...(12) QD2 LEU 76 - HA VAL 20 OK 24 93 - 26 - 2.1/4388=3, 3.1/4389=2...(10) QD1 LEU 79 - HA VAL 20 OK 22 99 - 22 - 2.1/4389=4, 3.1/4152=3...(7) QD1 LEU 12 - HA VAL 20 OK 14 90 - 15 - 569/3.0=2, ~4253=2, 2.1/4389=2 HG2 LYS 26 - HA VAL 20 OK 12 87 - 14 - 3.0/4388=2, ~4397=1, 569/3.0=1 HG3 LYS 64 - HA VAL 20 lone 5 73 - 7 - Peak 1491 from cnoeabs.peaks (7.59, 1.94, 31.44 ppm; 3.22 A): 3 out of 8 assignments used, quality = 0.83: * H VAL 20 + HB VAL 20 OK 76 100 - 76 - 4.0=54, 1501/2.1=19...(9) H LYS 17 + HB VAL 20 OK 23 100 - 23 - 1501/2.1=7, 1496/2.1=6...(4) HD21 ASN 63 + HB VAL 20 OK 11 97 - 11 - 1501/2.1=3, 1496/2.1=3...(4) H VAL 20 - HB2 GLN 58 poor 9 66 - 13 - 568=2, 1019/4.6=2...(5) H LYS 44 - HB VAL 20 lone 8 78 - 10 - 1501/2.1=2, 1496/2.1=2...(4) H LYS 17 - HB2 GLN 58 lone 2 65 - 4 - ~5274=1 H LYS 44 - HB2 GLN 58 lone 1 45 - 2 - HD21 ASN 63 - HB2 GLN 58 lone 1 61 - 1 - Peak 1492 from cnoeabs.peaks (3.38, 1.94, 31.44 ppm; 3.89 A): 3 out of 4 assignments used, quality = 1.00: * HA VAL 20 + HB VAL 20 OK 100 100 - 100 - 3.0=100 HD2 PRO 81 + HB VAL 20 OK 61 100 - 61 - 1502/2.1=13, 1497/2.1=13...(17) HD2 PRO 81 + HB2 GLN 58 OK 46 66 - 70 - 3450/2.9=8, ~2750=6...(34) HA VAL 20 - HB2 GLN 58 OK 16 66 - 25 - ~5288=5, 3.0/1491=2...(11) Peak 1493 from cnoeabs.peaks (1.94, 1.94, 31.44 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB VAL 20 + HB VAL 20 OK 100 100 - 100 HB2 GLN 58 - HB2 GLN 58 OK 43 43 - 100 Peak 1494 from cnoeabs.peaks (0.74, 1.94, 31.44 ppm; 2.75 A): 2 out of 12 assignments used, quality = 1.00: * QG1 VAL 20 + HB VAL 20 OK 100 100 - 100 - 2.1=100 QG2 VAL 20 + HB VAL 20 OK 90 90 - 100 - 2.1=100 QD1 LEU 79 - HB VAL 20 OK 19 98 - 19 - 1489/3.0=2, ~4396=2...(11) QD1 LEU 12 - HB VAL 20 OK 13 100 - 13 - 1489/3.0=2, 569/4.0=2...(6) HG2 LYS 26 - HB VAL 20 OK 13 100 - 13 - ~4397=2, 1489/3.0=1...(5) QG1 VAL 20 - HB2 GLN 58 OK 11 66 - 17 - 5288/1.8=3, ~5288=3...(4) QG2 VAL 20 - HB2 GLN 58 poor 9 54 - 16 - 5288/1.8=4, ~5288=3...(4) QD1 LEU 12 - HB2 GLN 58 lone 6 66 - 9 - 5288/1.8=3, ~5280=2, ~5285=2 QD1 LEU 79 - HB2 GLN 58 lone 3 62 - 5 - 5288/1.8=2 QD1 LEU 30 - HB VAL 20 lone 3 73 - 4 - HG2 LYS 26 - HB2 GLN 58 lone 1 66 - 2 - QD1 LEU 30 - HB2 GLN 58 lone 0 41 - 1 - Peak 1495 from cnoeabs.peaks (0.73, 1.94, 31.44 ppm; 2.77 A): 2 out of 14 assignments used, quality = 1.00: * QG2 VAL 20 + HB VAL 20 OK 100 100 - 100 - 2.1=100 QG1 VAL 20 + HB VAL 20 OK 90 90 - 100 - 2.1=100 QD2 LEU 76 - HB VAL 20 OK 24 93 - 25 - 1490/3.0=2, 3252=2...(13) QD1 LEU 79 - HB VAL 20 OK 19 99 - 20 - 1490/3.0=2, ~4396=2...(11) QG2 VAL 20 - HB2 GLN 58 OK 12 66 - 18 - 5288/1.8=6, ~5288=3...(4) QD1 LEU 12 - HB VAL 20 OK 12 90 - 13 - ~1199=1, 569/4.0=1...(7) HG2 LYS 26 - HB VAL 20 OK 11 87 - 13 - ~4397=2, ~4398=1...(6) QG1 VAL 20 - HB2 GLN 58 poor 10 54 - 18 - 5288/1.8=5, ~5288=3...(4) HG3 LYS 64 - HB VAL 20 poor 9 73 - 12 - QD1 LEU 12 - HB2 GLN 58 poor 6 54 - 11 - 5288/1.8=4, ~5280=2, ~5285=2 QD2 LEU 76 - HB2 GLN 58 lone 5 57 - 8 - 5288/1.8=3 QD1 LEU 79 - HB2 GLN 58 lone 4 64 - 6 - 5288/1.8=3 HG3 LYS 64 - HB2 GLN 58 lone 2 41 - 4 - 5288/1.8=1 HG2 LYS 26 - HB2 GLN 58 lone 1 51 - 2 - Peak 1496 from cnoeabs.peaks (7.59, 0.74, 20.54 ppm; 3.87 A): 1 out of 4 assignments used, quality = 0.97: * H VAL 20 + QG1 VAL 20 OK 97 100 - 97 - 4.0=90, 1501/2.1=25...(17) H LYS 17 - QG1 VAL 20 OK 42 100 - 42 - 1501/2.1=10, 1491/2.1=7...(8) HD21 ASN 63 - QG1 VAL 20 OK 19 97 - 19 - 1501/2.1=4, 1491/2.1=4...(5) H LYS 44 - QG1 VAL 20 OK 13 78 - 16 - 1501/2.1=3, 59/4.3=3...(5) Peak 1497 from cnoeabs.peaks (3.38, 0.74, 20.54 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 20 + QG1 VAL 20 OK 100 100 - 100 - 3.2=100 HD2 PRO 81 + QG1 VAL 20 OK 47 100 - 47 - 1502/2.1=10, 1492/2.1=7...(16) Peak 1498 from cnoeabs.peaks (1.94, 0.74, 20.54 ppm; 2.96 A): 1 out of 13 assignments used, quality = 1.00: * HB VAL 20 + QG1 VAL 20 OK 100 100 - 100 - 2.1=100 HB3 GLU 22 - QG1 VAL 20 OK 31 100 - 31 - 1503/2.1=3, 1.8/4452=2...(16) HG3 PRO 81 - QG1 VAL 20 OK 31 87 - 35 - 2.3/1497=8, 3496/3.2=5...(13) HB2 LEU 76 - QG1 VAL 20 OK 28 99 - 29 - 3228/2.1=3, 1.8/4396=3...(14) HG2 PRO 19 - QG1 VAL 20 OK 20 78 - 25 - 4.9/1496=5, 1503/2.1=2...(11) HB2 GLU 77 - QG1 VAL 20 OK 19 81 - 24 - 3.0/4395=4, 1503/2.1=2...(8) HB2 GLN 58 - QG1 VAL 20 OK 16 76 - 20 - 1.8/5288=5, ~5288=4...(5) QE MET 48 - QG1 VAL 20 OK 15 99 - 15 - 4924/4408=4, 4869/2.1=3 HB2 GLU 33 - QG1 VAL 20 OK 11 100 - 11 - 3.0/4395=2, 1503/2.1=1, ~4399=1 HG3 PRO 84 - QG1 VAL 20 poor 10 97 - 10 - 568/4.0=1, 1488/3.2=1 HD2 LYS 78 - QG1 VAL 20 lone 7 89 - 8 - HG3 GLU 49 - QG1 VAL 20 lone 6 97 - 6 - HB VAL 47 - QG1 VAL 20 lone 3 99 - 3 - Peak 1499 from cnoeabs.peaks (0.74, 0.74, 20.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 20 + QG1 VAL 20 OK 100 100 - 100 Peak 1500 from cnoeabs.peaks (0.73, 0.74, 20.54 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: QG1 VAL 20 + QG1 VAL 20 OK 90 90 - 100 Reference assignment not found: QG2 VAL 20 - QG1 VAL 20 Peak 1501 from cnoeabs.peaks (7.59, 0.73, 22.47 ppm; 3.25 A): 4 out of 4 assignments used, quality = 0.90: * H VAL 20 + QG2 VAL 20 OK 81 100 - 81 - 4.0=53, 1491/2.1=19...(12) H LYS 17 + QG2 VAL 20 OK 31 100 - 31 - 1496/2.1=6, 1491/2.1=6...(7) HD21 ASN 63 + QG2 VAL 20 OK 14 97 - 14 - 1496/2.1=3, 1491/2.1=3...(5) H LYS 44 + QG2 VAL 20 OK 11 78 - 14 - 4.6/4411=2, 59/4.3=2...(5) Peak 1502 from cnoeabs.peaks (3.38, 0.73, 22.47 ppm; 3.29 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 20 + QG2 VAL 20 OK 100 100 - 100 - 3.2=100 HD2 PRO 81 + QG2 VAL 20 OK 48 100 - 48 - 1497/2.1=11, 1492/2.1=7...(17) Peak 1503 from cnoeabs.peaks (1.94, 0.73, 22.47 ppm; 3.05 A): 1 out of 13 assignments used, quality = 1.00: * HB VAL 20 + QG2 VAL 20 OK 100 100 - 100 - 2.1=100 HB3 GLU 22 - QG2 VAL 20 OK 36 100 - 36 - 3.0/4404=5, 1498/2.1=3...(16) HB2 LEU 76 - QG2 VAL 20 OK 35 99 - 35 - 3228=4, 1.8/3235=3...(15) HG3 PRO 81 - QG2 VAL 20 OK 33 87 - 38 - 2.3/1502=9, 3496/3.2=5...(13) HB2 GLU 77 - QG2 VAL 20 OK 22 81 - 28 - 3.0/4404=4, 3.0/4399=4...(11) QE MET 48 - QG2 VAL 20 OK 21 99 - 22 - 4924/4410=4, 4886/4403=3...(6) HG2 PRO 19 - QG2 VAL 20 OK 21 78 - 27 - 4.9/1501=7, 2.3/4361=2...(10) HB2 GLN 58 - QG2 VAL 20 OK 17 76 - 22 - 1.8/5288=7, ~5288=4...(7) HB2 GLU 33 - QG2 VAL 20 OK 12 100 - 12 - 3.0/4399=2, 1498/2.1=1, ~4395=1 HG3 PRO 84 - QG2 VAL 20 OK 11 97 - 11 - 568/4.0=1, 1488/3.2=1 HD2 LYS 78 - QG2 VAL 20 lone 7 89 - 7 - HG3 GLU 49 - QG2 VAL 20 lone 6 97 - 7 - HB VAL 47 - QG2 VAL 20 lone 4 99 - 4 - Peak 1504 from cnoeabs.peaks (0.74, 0.73, 22.47 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: QG2 VAL 20 + QG2 VAL 20 OK 90 90 - 100 Reference assignment not found: QG1 VAL 20 - QG2 VAL 20 Peak 1505 from cnoeabs.peaks (0.73, 0.73, 22.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 20 + QG2 VAL 20 OK 100 100 - 100 Peak 1506 from cnoeabs.peaks (7.12, 4.14, 57.74 ppm; 3.66 A): 2 out of 3 assignments used, quality = 1.00: * H MET 21 + HA MET 21 OK 100 100 - 100 - 3.0=100 HD22 ASN 18 + HA MET 21 OK 63 100 - 63 - 1520/3.0=12, 1513/3.0=12...(20) HD2 HIS 42 - HA MET 21 lone 2 65 - 3 - Peak 1507 from cnoeabs.peaks (4.14, 4.14, 57.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 21 + HA MET 21 OK 100 100 - 100 Peak 1508 from cnoeabs.peaks (2.06, 4.14, 57.74 ppm; 3.38 A): 3 out of 8 assignments used, quality = 1.00: * HB2 MET 21 + HA MET 21 OK 100 100 - 100 - 3.0=100 QE MET 21 + HA MET 21 OK 73 100 - 73 - 5.3=26, 1544/3.0=22...(13) HB3 GLU 77 + HA MET 21 OK 54 98 - 55 - 4232=11, 1.8/4230=8...(19) HG3 GLN 55 - HA MET 21 OK 34 83 - 42 - 1.8/1509=9, 2605/3.0=5...(18) HG2 GLU 22 - HA MET 21 OK 34 98 - 34 - 1566/3.6=9, 4.0/4448=6...(11) HB2 GLN 55 - HA MET 21 OK 34 81 - 42 - 2.9/1509=7, 1514=4...(19) HA ALA 75 - HA MET 21 OK 29 99 - 30 - 2.9/351=6, ~6110=4...(11) HG3 GLU 33 - HA MET 21 lone 9 100 - 9 - Peak 1509 from cnoeabs.peaks (2.15, 4.14, 57.74 ppm; 3.37 A): 1 out of 3 assignments used, quality = 1.00: * HB3 MET 21 + HA MET 21 OK 100 100 - 100 - 3.0=100 HG2 GLN 55 - HA MET 21 OK 39 90 - 44 - 574/3.0=6, 1516/3.0=5...(18) HB VAL 52 - HA MET 21 OK 12 96 - 12 - 574/3.0=2, 1516/3.0=2...(5) Peak 1510 from cnoeabs.peaks (2.63, 4.14, 57.74 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 21 + HA MET 21 OK 100 100 - 100 - 4.0=98, 1.8/1535=28...(22) HE2 LYS 44 - HA MET 21 OK 26 90 - 29 - 1524/3.0=6, 7.2/4794=5...(7) Peak 1511 from cnoeabs.peaks (2.46, 4.14, 57.74 ppm; 3.86 A): 2 out of 4 assignments used, quality = 0.99: * HG3 MET 21 + HA MET 21 OK 98 100 - 98 - 4.0=87, 1.8/1528=28...(21) HG3 GLU 77 + HA MET 21 OK 69 100 - 69 - 5798=11, 3.0/4232=10...(21) HG3 GLU 25 - HA MET 21 OK 33 96 - 34 - 5.0/1038=7, 576/3.0=3...(12) HB3 ASP 43 - HA MET 21 OK 13 83 - 16 - 4.2/4794=10, 576/3.0=1 Peak 1512 from cnoeabs.peaks (2.06, 4.14, 57.74 ppm; 3.38 A): 3 out of 8 assignments used, quality = 1.00: HB2 MET 21 + HA MET 21 OK 100 100 - 100 - 3.0=100 * QE MET 21 + HA MET 21 OK 73 100 - 73 - 5.3=26, 1544/3.0=22...(13) HB3 GLU 77 + HA MET 21 OK 53 97 - 55 - 4232=11, 1.8/4230=8...(19) HG3 GLN 55 - HA MET 21 OK 36 87 - 42 - 1.8/1509=9, 2605/3.0=5...(18) HB2 GLN 55 - HA MET 21 OK 36 85 - 42 - 2.9/1509=7, 1514=4...(19) HG2 GLU 22 - HA MET 21 OK 33 97 - 34 - 1566/3.6=9, 4.0/4448=6...(11) HA ALA 75 - HA MET 21 OK 30 100 - 30 - 2.9/351=6, ~6110=4...(11) HG3 GLU 33 - HA MET 21 lone 9 100 - 9 - Peak 1513 from cnoeabs.peaks (7.12, 2.06, 32.01 ppm; 3.50 A): 2 out of 6 assignments used, quality = 0.97: * H MET 21 + HB2 MET 21 OK 90 100 - 90 - 4.0=68, 574/1.8=24...(10) HD22 ASN 18 + HB2 MET 21 OK 69 100 - 69 - 1520/1.8=15, 1527/2.9=12...(20) H MET 21 - HB2 GLN 55 OK 12 42 - 29 - 574/2.9=7, 577=4...(10) HD22 ASN 18 - HB2 GLN 55 lone 4 42 - 9 - HD2 HIS 42 - HB2 MET 21 lone 2 65 - 2 - HD2 HIS 42 - HB2 GLN 55 lone 0 22 - 1 - Peak 1514 from cnoeabs.peaks (4.14, 2.06, 32.01 ppm; 3.72 A): 1 out of 8 assignments used, quality = 1.00: * HA MET 21 + HB2 MET 21 OK 100 100 - 100 - 3.0=100 HA ALA 74 - HB2 MET 21 OK 44 100 - 44 - 1521/1.8=9, 4231=8...(11) HA MET 21 - HB2 GLN 55 OK 21 42 - 50 - 1509/2.9=8, 1512=5...(27) HB THR 83 - HB2 MET 21 OK 10 83 - 12 - 1521/1.8=2, 1528/2.9=2...(7) HA ALA 74 - HB2 GLN 55 poor 5 41 - 12 - 3.6/865=2, 3205/1.8=1 HB2 SER 62 - HB2 MET 21 lone 3 68 - 5 - HB THR 83 - HB2 GLN 55 lone 0 29 - 1 - HB2 SER 62 - HB2 GLN 55 lone 0 23 - 2 - Peak 1515 from cnoeabs.peaks (2.06, 2.06, 32.01 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 MET 21 + HB2 MET 21 OK 100 100 - 100 HB2 GLN 55 - HB2 GLN 55 OK 28 28 - 100 Peak 1516 from cnoeabs.peaks (2.15, 2.06, 32.01 ppm; 2.66 A): 1 out of 6 assignments used, quality = 1.00: * HB3 MET 21 + HB2 MET 21 OK 100 100 - 100 - 1.8=100 HG2 GLN 55 - HB2 MET 21 OK 31 90 - 35 - 1537/2.9=4, 1530/2.9=4...(13) HG2 GLN 55 - HB2 GLN 55 OK 28 33 - 84 - 2.9=74, ~2602=5...(13) HB3 MET 21 - HB2 GLN 55 OK 14 42 - 33 - 1526=5, 2605/2.9=3...(17) HB VAL 52 - HB2 GLN 55 OK 11 37 - 29 - 2593/3.9=4, 2605/2.9=4...(14) HB VAL 52 - HB2 MET 21 lone 9 96 - 10 - 1537/2.9=1, 1530/2.9=1 Peak 1517 from cnoeabs.peaks (2.63, 2.06, 32.01 ppm; 3.04 A): 1 out of 4 assignments used, quality = 1.00: * HG2 MET 21 + HB2 MET 21 OK 100 100 - 100 - 2.9=100 HE2 LYS 44 - HB2 MET 21 OK 19 90 - 21 - 1524/1.8=5, 1510/3.0=4...(8) HG2 MET 21 - HB2 GLN 55 OK 15 42 - 37 - 1530/2.9=6, 1533=5...(17) HE2 LYS 44 - HB2 GLN 55 lone 0 33 - 1 - Peak 1518 from cnoeabs.peaks (2.46, 2.06, 32.01 ppm; 3.06 A): 2 out of 8 assignments used, quality = 1.00: * HG3 MET 21 + HB2 MET 21 OK 100 100 - 100 - 2.9=100 HG3 GLU 77 + HB2 MET 21 OK 52 100 - 52 - 1525/1.8=9, 3284=6...(22) HG3 GLU 25 - HB2 MET 21 OK 17 96 - 17 - 1525/1.8=3, 1511/3.0=3...(7) HG3 MET 21 - HB2 GLN 55 OK 16 42 - 37 - 1537/2.9=6, 1540=5...(17) HB3 ASP 43 - HB2 MET 21 lone 5 83 - 5 - 1511/3.0=1, 1525/1.8=1 HG3 GLU 77 - HB2 GLN 55 lone 2 42 - 4 - 4.9/1099=1 HG3 GLU 25 - HB2 GLN 55 lone 0 37 - 1 - HB3 ASP 43 - HB2 GLN 55 lone 0 29 - 1 - Peak 1519 from cnoeabs.peaks (2.06, 2.06, 32.01 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: HB2 MET 21 + HB2 MET 21 OK 100 100 - 100 HB2 GLN 55 - HB2 GLN 55 OK 30 30 - 100 Reference assignment not found: QE MET 21 - HB2 MET 21 Peak 1520 from cnoeabs.peaks (7.12, 2.15, 32.01 ppm; 3.62 A): 2 out of 3 assignments used, quality = 0.98: * H MET 21 + HB3 MET 21 OK 93 100 - 93 - 4.0=75, 575/2.9=21...(14) HD22 ASN 18 + HB3 MET 21 OK 70 100 - 70 - 1513/1.8=15, 1527/2.9=13...(19) HD2 HIS 42 - HB3 MET 21 lone 2 65 - 3 - Peak 1521 from cnoeabs.peaks (4.14, 2.15, 32.01 ppm; 3.68 A): 1 out of 4 assignments used, quality = 1.00: * HA MET 21 + HB3 MET 21 OK 100 100 - 100 - 3.0=100 HA ALA 74 - HB3 MET 21 OK 35 100 - 35 - 1514/1.8=9, 1535/2.9=7...(9) HB THR 83 - HB3 MET 21 poor 9 83 - 11 - 1514/1.8=2, 1528/2.9=2...(6) HB2 SER 62 - HB3 MET 21 lone 3 68 - 4 - Peak 1522 from cnoeabs.peaks (2.06, 2.15, 32.01 ppm; 2.75 A): 2 out of 8 assignments used, quality = 1.00: * HB2 MET 21 + HB3 MET 21 OK 100 100 - 100 - 1.8=100 QE MET 21 + HB3 MET 21 OK 57 100 - 57 - 1544=34, 1529/2.9=5...(12) HB3 GLU 77 - HB3 MET 21 OK 35 98 - 35 - 3.0/1525=5, 4232/3.0=5...(19) HG3 GLN 55 - HB3 MET 21 OK 32 83 - 39 - 2605=7, 2.9/2581=3...(19) HB2 GLN 55 - HB3 MET 21 OK 30 81 - 37 - 2581=4, 2.9/2605=4...(19) HG2 GLU 22 - HB3 MET 21 OK 16 98 - 17 - 1566/4.6=4, ~1576=2...(7) HA ALA 75 - HB3 MET 21 OK 15 99 - 15 - 2.1/6110=4, ~4161=2...(6) HG3 GLU 33 - HB3 MET 21 lone 5 100 - 5 - Peak 1523 from cnoeabs.peaks (2.15, 2.15, 32.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 21 + HB3 MET 21 OK 100 100 - 100 Peak 1524 from cnoeabs.peaks (2.63, 2.15, 32.01 ppm; 3.01 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 21 + HB3 MET 21 OK 100 100 - 100 - 2.9=100 HE2 LYS 44 - HB3 MET 21 OK 18 90 - 20 - 1517/1.8=5, 1510/3.0=3...(8) Peak 1525 from cnoeabs.peaks (2.46, 2.15, 32.01 ppm; 3.07 A): 2 out of 4 assignments used, quality = 1.00: * HG3 MET 21 + HB3 MET 21 OK 100 100 - 100 - 2.9=100 HG3 GLU 77 + HB3 MET 21 OK 45 100 - 45 - 1518/1.8=9, 1511/3.0=6...(18) HG3 GLU 25 - HB3 MET 21 OK 15 96 - 15 - 1518/1.8=3, 1511/3.0=3...(6) HB3 ASP 43 - HB3 MET 21 lone 5 83 - 6 - 1511/3.0=1, 4.2/4426=1 Peak 1526 from cnoeabs.peaks (2.06, 2.15, 32.01 ppm; 2.75 A): 2 out of 8 assignments used, quality = 1.00: HB2 MET 21 + HB3 MET 21 OK 100 100 - 100 - 1.8=100 * QE MET 21 + HB3 MET 21 OK 57 100 - 57 - 1544=34, 1529/2.9=5...(12) HG3 GLN 55 - HB3 MET 21 OK 34 87 - 39 - 2605=7, 2.9/2581=3...(19) HB3 GLU 77 - HB3 MET 21 OK 34 97 - 35 - 3.0/1525=5, 4232/3.0=5...(19) HB2 GLN 55 - HB3 MET 21 OK 32 85 - 38 - 2581=4, 2.9/2605=4...(19) HG2 GLU 22 - HB3 MET 21 OK 16 97 - 16 - 1566/4.6=4, ~1576=2...(7) HA ALA 75 - HB3 MET 21 OK 15 100 - 15 - 2.1/6110=4, ~4161=2...(6) HG3 GLU 33 - HB3 MET 21 lone 5 100 - 5 - Peak 1527 from cnoeabs.peaks (7.12, 2.63, 32.07 ppm; 3.51 A): 2 out of 3 assignments used, quality = 0.95: * H MET 21 + HG2 MET 21 OK 85 100 - 85 - 4.9=36, 1534/1.8=19...(16) HD22 ASN 18 + HG2 MET 21 OK 70 100 - 70 - 1534/1.8=16, 1520/2.9=11...(18) HD2 HIS 42 - HG2 MET 21 lone 2 65 - 2 - Peak 1528 from cnoeabs.peaks (4.14, 2.63, 32.07 ppm; 3.65 A): 1 out of 4 assignments used, quality = 0.95: * HA MET 21 + HG2 MET 21 OK 95 100 - 95 - 4.0=74, 1535/1.8=24...(19) HA ALA 74 - HG2 MET 21 OK 30 100 - 30 - 1535/1.8=9, 1521/2.9=7...(5) HB THR 83 - HG2 MET 21 lone 8 83 - 9 - 1535/1.8=2, 1521/2.9=2...(5) HB2 SER 62 - HG2 MET 21 lone 3 68 - 4 - Peak 1529 from cnoeabs.peaks (2.06, 2.63, 32.07 ppm; 2.93 A): 2 out of 8 assignments used, quality = 1.00: * HB2 MET 21 + HG2 MET 21 OK 100 100 - 100 - 2.9=100 QE MET 21 + HG2 MET 21 OK 79 100 - 79 - 3.4=66, 1544/2.9=17...(9) HB3 GLU 77 - HG2 MET 21 OK 32 98 - 33 - 3.0/1532=5, 4232/4.0=4...(13) HG3 GLN 55 - HG2 MET 21 OK 28 83 - 34 - 1.8/1530=8, ~1537=4...(12) HB2 GLN 55 - HG2 MET 21 OK 27 81 - 33 - 2.9/1530=5, 1517=5...(14) HG2 GLU 22 - HG2 MET 21 OK 16 98 - 17 - 5.0/3844=4, 3.0/6072=2...(7) HA ALA 75 - HG2 MET 21 OK 11 99 - 11 - ~6110=3, 5756/4.0=2...(4) HG3 GLU 33 - HG2 MET 21 lone 6 100 - 6 - Peak 1530 from cnoeabs.peaks (2.15, 2.63, 32.07 ppm; 2.97 A): 1 out of 3 assignments used, quality = 1.00: * HB3 MET 21 + HG2 MET 21 OK 100 100 - 100 - 2.9=100 HG2 GLN 55 - HG2 MET 21 OK 34 90 - 38 - 1537/1.8=8, 1544/3.4=5...(15) HB VAL 52 - HG2 MET 21 lone 10 96 - 10 - 1537/1.8=2, 1544/3.4=2...(4) Peak 1531 from cnoeabs.peaks (2.63, 2.63, 32.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 21 + HG2 MET 21 OK 100 100 - 100 Peak 1532 from cnoeabs.peaks (2.46, 2.63, 32.07 ppm; 2.51 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 21 + HG2 MET 21 OK 100 100 - 100 - 1.8=100 HG3 GLU 77 - HG2 MET 21 OK 26 100 - 26 - 1525/2.9=4, 1518/2.9=4...(11) HG3 GLU 25 - HG2 MET 21 lone 8 96 - 8 - 1525/2.9=1, 1518/2.9=1 HB3 ASP 43 - HG2 MET 21 lone 4 83 - 4 - 4.2/4423=1 Peak 1533 from cnoeabs.peaks (2.06, 2.63, 32.07 ppm; 2.93 A): 2 out of 8 assignments used, quality = 1.00: HB2 MET 21 + HG2 MET 21 OK 100 100 - 100 - 2.9=100 * QE MET 21 + HG2 MET 21 OK 79 100 - 79 - 3.4=66, 1544/2.9=17...(9) HB3 GLU 77 - HG2 MET 21 OK 32 97 - 33 - 3.0/1532=5, 4232/4.0=4...(13) HG3 GLN 55 - HG2 MET 21 OK 29 87 - 34 - 1.8/1530=8, ~1537=4...(12) HB2 GLN 55 - HG2 MET 21 OK 28 85 - 33 - 2.9/1530=5, 1517=5...(14) HG2 GLU 22 - HG2 MET 21 OK 16 97 - 17 - 5.0/3844=4, 3.0/6072=2...(7) HA ALA 75 - HG2 MET 21 OK 11 100 - 11 - ~6110=3, 5756/4.0=2...(4) HG3 GLU 33 - HG2 MET 21 lone 6 100 - 6 - Peak 1534 from cnoeabs.peaks (7.12, 2.46, 32.07 ppm; 3.60 A): 2 out of 3 assignments used, quality = 0.97: * H MET 21 + HG3 MET 21 OK 88 100 - 88 - 4.9=39, 575/1.8=27...(16) HD22 ASN 18 + HG3 MET 21 OK 72 100 - 73 - 1527/1.8=17, 1520/2.9=12...(19) HD2 HIS 42 - HG3 MET 21 lone 2 65 - 3 - Peak 1535 from cnoeabs.peaks (4.14, 2.46, 32.07 ppm; 3.69 A): 1 out of 4 assignments used, quality = 0.96: * HA MET 21 + HG3 MET 21 OK 96 100 - 96 - 4.0=76, 1528/1.8=26...(20) HA ALA 74 - HG3 MET 21 OK 35 100 - 36 - 1528/1.8=8, 1521/2.9=7...(7) HB THR 83 - HG3 MET 21 lone 8 83 - 9 - 1528/1.8=2, 1521/2.9=2...(5) HB2 SER 62 - HG3 MET 21 lone 3 68 - 4 - Peak 1536 from cnoeabs.peaks (2.06, 2.46, 32.07 ppm; 2.99 A): 2 out of 8 assignments used, quality = 1.00: * HB2 MET 21 + HG3 MET 21 OK 100 100 - 100 - 2.9=100 QE MET 21 + HG3 MET 21 OK 82 100 - 82 - 3.4=70, 1544/2.9=18...(8) HB3 GLU 77 - HG3 MET 21 OK 37 98 - 38 - 3274=5, 4232/4.0=4...(16) HG3 GLN 55 - HG3 MET 21 OK 29 83 - 35 - 1.8/1537=8, ~1530=5...(15) HB2 GLN 55 - HG3 MET 21 OK 28 81 - 34 - 2.9/1537=6, 1518=4...(17) HG2 GLU 22 - HG3 MET 21 OK 17 98 - 17 - 5.0/3845=4, 3.0/6073=2...(8) HA ALA 75 - HG3 MET 21 OK 12 99 - 13 - ~6110=3, 5756/4.0=2...(5) HG3 GLU 33 - HG3 MET 21 lone 6 100 - 6 - 3.0/6073=1 Peak 1537 from cnoeabs.peaks (2.15, 2.46, 32.07 ppm; 3.04 A): 1 out of 3 assignments used, quality = 1.00: * HB3 MET 21 + HG3 MET 21 OK 100 100 - 100 - 2.9=100 HG2 GLN 55 - HG3 MET 21 OK 35 90 - 39 - 1530/1.8=8, 1544/3.4=6...(16) HB VAL 52 - HG3 MET 21 OK 10 96 - 10 - 1530/1.8=2, 1544/3.4=2...(4) Peak 1538 from cnoeabs.peaks (2.63, 2.46, 32.07 ppm; 2.54 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 21 + HG3 MET 21 OK 100 100 - 100 - 1.8=100 HE2 LYS 44 - HG3 MET 21 OK 12 90 - 14 - 1524/2.9=3, 1517/2.9=2...(8) Peak 1539 from cnoeabs.peaks (2.46, 2.46, 32.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 21 + HG3 MET 21 OK 100 100 - 100 Peak 1540 from cnoeabs.peaks (2.06, 2.46, 32.07 ppm; 2.99 A): 2 out of 8 assignments used, quality = 1.00: HB2 MET 21 + HG3 MET 21 OK 100 100 - 100 - 2.9=100 * QE MET 21 + HG3 MET 21 OK 82 100 - 82 - 3.4=70, 1544/2.9=18...(8) HB3 GLU 77 - HG3 MET 21 OK 37 97 - 38 - 3274=5, 4232/4.0=4...(16) HG3 GLN 55 - HG3 MET 21 OK 30 87 - 35 - 1.8/1537=8, ~1530=5...(15) HB2 GLN 55 - HG3 MET 21 OK 29 85 - 34 - 2.9/1537=6, 1518=4...(17) HG2 GLU 22 - HG3 MET 21 OK 16 97 - 17 - 5.0/3845=4, 3.0/6073=2...(8) HA ALA 75 - HG3 MET 21 OK 13 100 - 13 - ~6110=3, 5756/4.0=2...(5) HG3 GLU 33 - HG3 MET 21 lone 6 100 - 6 - 3.0/6073=1 Peak 1541 from cnoeabs.peaks (7.12, 2.06, 17.06 ppm; 4.81 A): 2 out of 3 assignments used, quality = 0.99: * H MET 21 + QE MET 21 OK 95 100 - 95 - 6.1=49, 575/3.4=31...(18) HD22 ASN 18 + QE MET 21 OK 88 100 - 88 - 1.7/4427=30, 1527/3.4=18...(17) HD2 HIS 42 - QE MET 21 lone 3 65 - 4 - Peak 1542 from cnoeabs.peaks (4.14, 2.06, 17.06 ppm; 4.95 A): 1 out of 4 assignments used, quality = 0.98: * HA MET 21 + QE MET 21 OK 98 100 - 98 - 5.3=80, 3.0/1544=33...(20) HA ALA 74 - QE MET 21 OK 44 100 - 45 - 1535/3.4=10, 1528/3.4=9...(8) HB THR 83 - QE MET 21 OK 11 83 - 13 - 1528/3.4=2, 1535/3.4=2...(5) HB2 SER 62 - QE MET 21 lone 4 68 - 6 - Peak 1543 from cnoeabs.peaks (2.06, 2.06, 17.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QE MET 21 + QE MET 21 OK 100 100 - 100 Reference assignment not found: HB2 MET 21 - QE MET 21 Peak 1544 from cnoeabs.peaks (2.15, 2.06, 17.06 ppm; 2.72 A): 2 out of 3 assignments used, quality = 0.60: * HB3 MET 21 + QE MET 21 OK 52 100 - 52 - 4.2=27, 2.9/1529=5...(12) HG2 GLN 55 + QE MET 21 OK 19 90 - 21 - 1537/3.4=4, 1530/3.4=4...(6) HB VAL 52 - QE MET 21 lone 6 96 - 6 - 1537/3.4=1, 1530/3.4=1 Peak 1545 from cnoeabs.peaks (2.63, 2.06, 17.06 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 21 + QE MET 21 OK 100 100 - 100 - 3.4=100 HE2 LYS 44 - QE MET 21 OK 36 90 - 40 - 4.8/4444=12, 1524/4.2=5...(10) Peak 1546 from cnoeabs.peaks (2.46, 2.06, 17.06 ppm; 5.21 A): 2 out of 4 assignments used, quality = 1.00: * HG3 MET 21 + QE MET 21 OK 100 100 - 100 - 3.4=100 HG3 GLU 77 + QE MET 21 OK 66 100 - 66 - 1525/4.2=11, 1518/4.2=11...(23) HG3 GLU 25 - QE MET 21 OK 25 96 - 26 - 1511/5.3=4, 1525/4.2=4...(8) HB3 ASP 43 - QE MET 21 poor 10 83 - 11 - 1511/5.3=2, 4792/6.1=2...(6) Peak 1547 from cnoeabs.peaks (2.06, 2.06, 17.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 21 + QE MET 21 OK 100 100 - 100 Peak 1548 from cnoeabs.peaks (8.23, 3.89, 59.27 ppm; 3.52 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 22 + HA GLU 22 OK 100 100 - 100 - 3.0=100 H ASP 88 - HA GLU 22 OK 20 89 - 23 - 579=4, 71/3.6=4...(6) HE21 GLN 58 - HA GLU 22 OK 15 87 - 17 - 1554/3.0=3, 1560/3.0=2...(5) H ALA 86 - HA GLU 22 OK 10 89 - 12 - 71/3.6=2, 1554/3.0=2...(5) H LYS 56 - HA GLU 22 poor 9 60 - 15 - 4.0/6122=2, 579=2...(5) H VAL 66 - HA GLU 22 poor 7 60 - 11 - 1554/3.0=2, 4.0/1550=1...(5) Peak 1549 from cnoeabs.peaks (3.89, 3.89, 59.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 22 + HA GLU 22 OK 100 100 - 100 Peak 1550 from cnoeabs.peaks (1.84, 3.89, 59.27 ppm; 3.53 A): 1 out of 11 assignments used, quality = 1.00: * HB2 GLU 22 + HA GLU 22 OK 100 100 - 100 - 3.0=100 HG3 PRO 19 - HA GLU 22 OK 23 71 - 33 - 2.3/4164=5, 2.3/4164=5...(12) HB2 GLU 49 - HA GLU 22 OK 22 100 - 22 - 73/3.6=3, 2462/3.0=2...(11) HG2 PRO 81 - HA GLU 22 OK 20 87 - 23 - 73/3.6=2, ~1022=2...(9) HB3 PRO 84 - HA GLU 22 OK 17 96 - 18 - 1562/3.0=2, 2.3/4164=2...(7) HB VAL 66 - HA GLU 22 OK 16 100 - 16 - 1574/4.0=2, 1568/4.0=2...(7) HB3 LYS 78 - HA GLU 22 OK 14 63 - 22 - 2.8/6202=4, 4.0/364=3...(7) HB3 GLU 33 - HA GLU 22 OK 13 63 - 20 - 1.8/1551=2, 3.0/1552=2...(6) HB3 GLU 37 - HA GLU 22 poor 9 85 - 10 - 3.0/6122=1 HB2 GLU 37 - HA GLU 22 lone 6 65 - 9 - 3.0/6122=1 HB2 LYS 44 - HA GLU 22 lone 2 63 - 3 - Peak 1551 from cnoeabs.peaks (1.94, 3.89, 59.27 ppm; 3.36 A): 2 out of 15 assignments used, quality = 1.00: * HB3 GLU 22 + HA GLU 22 OK 100 100 - 100 - 3.0=100 HB2 GLU 77 + HA GLU 22 OK 47 90 - 52 - 1561=7, 1.8/1552=6...(25) HB2 LEU 76 - HA GLU 22 OK 40 100 - 41 - 4223=6, 1.8/4225=4...(19) HB VAL 20 - HA GLU 22 OK 39 100 - 39 - 4.0/4386=5, 3.0/4390=5...(17) HG2 PRO 19 - HA GLU 22 OK 26 89 - 29 - 1.8/4369=5, 2.3/4164=5...(8) HB2 GLU 33 - HA GLU 22 OK 21 100 - 21 - 2049/4.0=3, 1557/3.0=2...(5) HG3 GLU 49 - HA GLU 22 OK 16 90 - 18 - 3.0/1550=2, 2477/3.0=2...(6) HG3 PRO 81 - HA GLU 22 OK 16 76 - 21 - 1.8/1550=3, ~1022=2...(5) HG3 PRO 84 - HA GLU 22 OK 16 99 - 16 - 2.3/1550=2, 1.8/4164=2 HB3 PRO 81 - HA GLU 22 OK 13 65 - 20 - 2.3/1550=2, 2.3/5918=2...(5) HD2 LYS 78 - HA GLU 22 OK 12 78 - 15 - 2.9/6202=4, 3.7/4164=2...(4) HB2 GLN 58 - HA GLU 22 lone 8 87 - 9 - 4.6/1548=1 QE MET 48 - HA GLU 22 lone 4 96 - 5 - HB VAL 47 - HA GLU 22 lone 3 96 - 3 - HB2 GLU 51 - HA GLU 22 lone 2 71 - 2 - Peak 1552 from cnoeabs.peaks (2.07, 3.89, 59.27 ppm; 3.34 A): 3 out of 8 assignments used, quality = 0.95: * HG2 GLU 22 + HA GLU 22 OK 83 100 - 84 - 4.0=58, 1.8/1573=18...(12) HB3 GLU 77 + HA GLU 22 OK 49 100 - 50 - 3270=8, 1.8/1561=5...(22) HB2 MET 21 + HA GLU 22 OK 46 98 - 47 - 3842/3.0=9, 3.0/4448=7...(17) HA ALA 75 - HA GLU 22 OK 27 92 - 30 - 2.9/4163=8, 4238/3.0=3...(12) QE MET 21 - HA GLU 22 OK 25 97 - 26 - 5.3/4448=4, ~3844=3...(10) HB3 GLU 25 - HA GLU 22 OK 25 63 - 39 - 1.8/4165=12, 4.1/4163=8...(14) HG3 GLU 33 - HA GLU 22 OK 17 99 - 18 - 2064/3.0=2, 1558/3.0=2...(8) HG3 GLN 55 - HA GLU 22 poor 6 60 - 10 - ~67=2 Peak 1553 from cnoeabs.peaks (2.12, 3.89, 59.27 ppm; 3.21 A): 2 out of 2 assignments used, quality = 0.89: * HG3 GLU 22 + HA GLU 22 OK 82 100 - 82 - 4.0=52, 1.8/1567=16...(16) HB3 GLU 25 + HA GLU 22 OK 35 76 - 47 - 1.8/4165=11, 4.1/4163=8...(13) Peak 1554 from cnoeabs.peaks (8.23, 1.84, 29.30 ppm; 3.75 A): 1 out of 6 assignments used, quality = 0.94: * H GLU 22 + HB2 GLU 22 OK 94 100 - 94 - 4.0=81, 583/3.0=19...(12) H ASP 88 - HB2 GLU 22 OK 22 89 - 24 - 583/3.0=4, 1560/1.8=4...(7) HE21 GLN 58 - HB2 GLU 22 OK 17 87 - 19 - 1560/1.8=3, 1548/3.0=3...(7) H ALA 86 - HB2 GLU 22 OK 12 89 - 14 - 1560/1.8=2, 1566/3.0=2...(6) H VAL 66 - HB2 GLU 22 OK 11 60 - 19 - 3.0/2999=3, 4.0/4450=3...(9) H LYS 56 - HB2 GLU 22 poor 9 60 - 16 - 4.7/4450=2, 4.0/6121=2...(8) Peak 1555 from cnoeabs.peaks (3.89, 1.84, 29.30 ppm; 3.70 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 22 + HB2 GLU 22 OK 100 100 - 100 - 3.0=100 HA GLU 77 + HB2 GLU 22 OK 47 85 - 56 - 1567/3.0=8, 1573/3.0=7...(29) HA ALA 69 - HB2 GLU 22 OK 15 81 - 18 - 2.1/5574=2, 1573/3.0=2...(9) HA LEU 73 - HB2 GLU 22 OK 14 76 - 18 - 72/4.6=3, 4.5/6121=2...(8) HA3 GLY 29 - HB2 GLU 22 lone 4 85 - 5 - Peak 1556 from cnoeabs.peaks (1.84, 1.84, 29.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 22 + HB2 GLU 22 OK 100 100 - 100 Peak 1557 from cnoeabs.peaks (1.94, 1.84, 29.30 ppm; 2.95 A): 1 out of 15 assignments used, quality = 1.00: * HB3 GLU 22 + HB2 GLU 22 OK 100 100 - 100 - 1.8=100 HB2 GLU 77 - HB2 GLU 22 OK 43 90 - 48 - 1562=7, 1.8/1558=5...(26) HB2 LEU 76 - HB2 GLU 22 OK 39 100 - 40 - 3.1/4451=6, 4223/3.0=3...(21) HB VAL 20 - HB2 GLU 22 OK 27 100 - 27 - 2.1/4452=3, 2.1/4452=2...(17) HB2 GLU 33 - HB2 GLU 22 OK 23 100 - 23 - 2049/3.0=3, 3.0/1558=2...(7) HG2 PRO 19 - HB2 GLU 22 OK 21 89 - 24 - 3.8/4144=4, ~4369=2...(8) HG3 PRO 84 - HB2 GLU 22 OK 16 99 - 16 - 3566=1, 1.8/3559=1 HG3 GLU 49 - HB2 GLU 22 OK 15 90 - 16 - 2477=2, 1.8/2471=2...(4) HG3 PRO 81 - HB2 GLU 22 OK 14 76 - 18 - 2.3/3452=1, 2.3/3459=1 HB3 PRO 81 - HB2 GLU 22 OK 12 65 - 18 - 3.0/3452=1, 1.8/3473=1...(4) HD2 LYS 78 - HB2 GLU 22 poor 8 78 - 10 - ~6202=1 HB2 GLN 58 - HB2 GLU 22 lone 6 87 - 7 - 2.9/6044=1, 4.6/1554=1 QE MET 48 - HB2 GLU 22 lone 5 96 - 5 - HB VAL 47 - HB2 GLU 22 lone 3 96 - 4 - HB2 GLU 51 - HB2 GLU 22 lone 1 71 - 2 - Peak 1558 from cnoeabs.peaks (2.07, 1.84, 29.30 ppm; 3.36 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 22 + HB2 GLU 22 OK 100 100 - 100 - 3.0=100 HB3 GLU 77 + HB2 GLU 22 OK 49 100 - 50 - 3.0/1555=6, 1.8/1562=5...(25) HB2 MET 21 - HB2 GLU 22 OK 33 98 - 34 - 4.6/1554=8, 1552/3.0=4...(11) HA ALA 75 - HB2 GLU 22 OK 29 92 - 31 - 2.1/4451=5, ~4163=3...(13) HG3 GLU 33 - HB2 GLU 22 OK 25 99 - 25 - 2064/1.8=3, 1576/3.0=2...(10) HB3 GLU 25 - HB2 GLU 22 OK 23 63 - 36 - 3.0/4144=7, ~4165=5...(14) QE MET 21 - HB2 GLU 22 OK 16 97 - 17 - 3846/4.0=3, 1552/3.0=2...(7) HG3 GLN 55 - HB2 GLU 22 lone 2 60 - 4 - Peak 1559 from cnoeabs.peaks (2.12, 1.84, 29.30 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 22 + HB2 GLU 22 OK 100 100 - 100 - 3.0=100 HB3 GLU 25 - HB2 GLU 22 OK 38 76 - 50 - 1553/3.0=9, 3.0/4144=8...(15) Peak 1560 from cnoeabs.peaks (8.23, 1.94, 29.30 ppm; 3.29 A): 4 out of 12 assignments used, quality = 0.91: * H GLU 22 + HB3 GLU 22 OK 81 100 - 81 - 4.0=54, 1554/1.8=16...(12) H GLU 22 + HB2 GLU 77 OK 34 86 - 39 - 581=5, 3.6/4230=4...(18) H ASP 88 + HB3 GLU 22 OK 17 89 - 19 - 1554/1.8=4, 583/3.0=3...(6) HE21 GLN 58 + HB3 GLU 22 OK 15 87 - 17 - 1554/1.8=3, 1548/3.0=2...(6) H ALA 86 - HB3 GLU 22 poor 10 89 - 11 - 1554/1.8=2, 1548/3.0=2...(5) H LYS 56 - HB3 GLU 22 poor 8 60 - 14 - 4.7/4453=2, 1554/1.8=2...(6) H ASP 88 - HB2 GLU 77 lone 7 70 - 10 - 363/4.1=2, 581=1 H VAL 66 - HB3 GLU 22 poor 6 60 - 11 - 1554/1.8=2, 1566/3.0=1...(5) H ALA 86 - HB2 GLU 77 lone 4 70 - 6 - 363/4.1=1 H VAL 66 - HB2 GLU 77 lone 3 45 - 7 - 363/4.1=2 HE21 GLN 58 - HB2 GLU 77 lone 3 68 - 4 - H LYS 56 - HB2 GLU 77 lone 3 45 - 6 - 1010/4.1=1 Peak 1561 from cnoeabs.peaks (3.89, 1.94, 29.30 ppm; 3.19 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 22 + HB3 GLU 22 OK 100 100 - 100 - 3.0=100 HA GLU 77 + HB2 GLU 77 OK 66 66 - 100 - 3.0=100 HA GLU 77 - HB3 GLU 22 OK 40 85 - 48 - 1555/1.8=7, 1567/3.0=6...(22) HA GLU 22 - HB2 GLU 77 OK 39 86 - 46 - 1552/1.8=6, 1551=5...(22) HA ALA 69 - HB3 GLU 22 OK 12 81 - 15 - 1555/1.8=2, 2.1/5573=2...(5) HA LEU 73 - HB3 GLU 22 OK 12 76 - 16 - 1555/1.8=2, 72/4.6=2...(6) HA LEU 73 - HB2 GLU 77 OK 10 58 - 18 - 1096/4.0=3, 3.9/6148=2...(9) HA ALA 69 - HB2 GLU 77 poor 7 63 - 11 - 2.1/5573=1, 3270/1.8=1 HA3 GLY 29 - HB3 GLU 22 lone 4 85 - 4 - HA3 GLY 29 - HB2 GLU 77 lone 3 66 - 5 - Peak 1562 from cnoeabs.peaks (1.84, 1.94, 29.30 ppm; 2.92 A): 1 out of 22 assignments used, quality = 1.00: * HB2 GLU 22 + HB3 GLU 22 OK 100 100 - 100 - 1.8=100 HB2 GLU 22 - HB2 GLU 77 OK 40 86 - 47 - 1557=6, 1558/1.8=5...(26) HB2 GLU 49 - HB3 GLU 22 OK 19 100 - 18 - 2462=2, 1550/3.0=2...(8) HB3 PRO 84 - HB3 GLU 22 OK 17 96 - 17 - 3554=2, 1550/3.0=1...(5) HB VAL 66 - HB3 GLU 22 OK 17 100 - 17 - ~4463=2, 1574/3.0=2...(8) HB3 GLU 33 - HB2 GLU 77 OK 16 47 - 35 - ~2049=4, 2055/1.8=3...(16) HG3 PRO 19 - HB3 GLU 22 OK 15 71 - 22 - 3.8/4146=2, 4369/3.0=2...(10) HG2 PRO 81 - HB3 GLU 22 OK 14 87 - 17 - 1550/3.0=2, 1568/3.0=1...(4) HB3 GLU 33 - HB3 GLU 22 OK 13 63 - 21 - 3.0/2064=2, 2052=2...(9) HB3 LYS 78 - HB3 GLU 22 OK 11 63 - 18 - 1.8/3303=2, ~6202=1...(7) HB3 GLU 37 - HB3 GLU 22 lone 8 85 - 9 - HB3 LYS 78 - HB2 GLU 77 poor 6 47 - 13 - 4.0/4083=4, ~5818=2...(4) HB2 GLU 37 - HB3 GLU 22 lone 6 65 - 9 - HG3 PRO 19 - HB2 GLU 77 lone 5 54 - 9 - 4369/3.0=1, 883/4.1=1 HG2 PRO 81 - HB2 GLU 77 lone 4 68 - 7 - 883/4.1=1 HB3 PRO 84 - HB2 GLU 77 lone 3 78 - 4 - HB VAL 66 - HB2 GLU 77 lone 3 86 - 3 - HB2 GLU 49 - HB2 GLU 77 lone 2 85 - 2 - HB2 LYS 44 - HB3 GLU 22 lone 1 63 - 2 - HB3 GLU 37 - HB2 GLU 77 lone 1 66 - 1 - HB2 LYS 44 - HB2 GLU 77 lone 1 47 - 1 - HB2 GLU 37 - HB2 GLU 77 lone 0 49 - 1 - Peak 1563 from cnoeabs.peaks (1.94, 1.94, 29.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 22 + HB3 GLU 22 OK 100 100 - 100 HB2 GLU 77 + HB2 GLU 77 OK 72 72 - 100 Peak 1564 from cnoeabs.peaks (2.07, 1.94, 29.30 ppm; 2.50 A): 2 out of 16 assignments used, quality = 0.96: HB3 GLU 77 + HB2 GLU 77 OK 86 86 - 100 - 1.8=100 * HG2 GLU 22 + HB3 GLU 22 OK 73 100 - 73 - 3.0=57, 1.8/1565=13...(10) HB3 GLU 77 - HB3 GLU 22 OK 32 100 - 33 - 3271=5, 1558/1.8=3...(12) HB2 MET 21 - HB2 GLU 77 OK 27 81 - 33 - 1518/3.0=4, 3.0/4230=2...(17) HG2 GLU 22 - HB2 GLU 77 OK 25 86 - 29 - 1.8/1565=4, 1569=4...(13) HG3 GLU 33 - HB2 GLU 77 OK 23 83 - 28 - 2064=4, 2066/3.0=3...(11) HB2 MET 21 - HB3 GLU 22 OK 20 98 - 20 - 3842/4.0=3, 1552/3.0=2...(10) HB3 GLU 25 - HB2 GLU 77 OK 18 47 - 39 - 3271=4, ~4165=3, ~1649=2...(24) HA ALA 75 - HB3 GLU 22 OK 15 92 - 17 - 1558/1.8=2, 2.1/4454=2...(7) HG3 GLU 33 - HB3 GLU 22 OK 15 99 - 15 - 2064=3, 1.8/2058=2...(5) QE MET 21 - HB2 GLU 77 OK 12 79 - 16 - 1546/3.0=2, 3.4/6073=2...(4) HB3 GLU 25 - HB3 GLU 22 OK 12 63 - 19 - ~4165=3, 3.0/4146=2...(10) HA ALA 75 - HB2 GLU 77 OK 12 74 - 16 - 4235/4.1=3, 1093/4.0=2...(6) QE MET 21 - HB3 GLU 22 OK 11 97 - 11 - 3.4/6073=1, 3.4/6072=1...(5) HG3 GLN 55 - HB2 GLU 77 lone 1 45 - 3 - 5193/4.1=1 HG3 GLN 55 - HB3 GLU 22 lone 1 60 - 2 - Peak 1565 from cnoeabs.peaks (2.12, 1.94, 29.30 ppm; 2.86 A): 2 out of 4 assignments used, quality = 0.95: * HG3 GLU 22 + HB3 GLU 22 OK 92 100 - 92 - 3.0=86, 1553/3.0=14...(10) HG3 GLU 22 + HB2 GLU 77 OK 31 86 - 37 - 1576/1.8=5, 1575=4...(13) HB3 GLU 25 - HB2 GLU 77 OK 29 58 - 50 - ~4165=4, ~1647=4...(27) HB3 GLU 25 - HB3 GLU 22 OK 27 76 - 36 - 1559/1.8=7, 1553/3.0=6...(14) Peak 1566 from cnoeabs.peaks (8.23, 2.07, 36.01 ppm; 4.19 A): 1 out of 6 assignments used, quality = 0.92: * H GLU 22 + HG2 GLU 22 OK 92 100 - 92 - 5.0=60, 583/1.8=28...(13) H ASP 88 - HG2 GLU 22 OK 24 89 - 27 - 583/1.8=6, 1554/3.0=4...(7) HE21 GLN 58 - HG2 GLU 22 OK 18 87 - 20 - 1572/1.8=4, 1554/3.0=4...(6) H ALA 86 - HG2 GLU 22 OK 14 89 - 15 - 1572/1.8=3, 1554/3.0=3...(6) H VAL 66 - HG2 GLU 22 OK 12 60 - 20 - 4.0/4463=6, 4.0/1568=3...(7) H LYS 56 - HG2 GLU 22 poor 10 60 - 16 - 1572/1.8=2, 4.0/6119=2...(6) Peak 1567 from cnoeabs.peaks (3.89, 2.07, 36.01 ppm; 3.67 A): 2 out of 5 assignments used, quality = 0.96: * HA GLU 22 + HG2 GLU 22 OK 94 100 - 94 - 4.0=77, 1553/1.8=30...(12) HA GLU 77 + HG2 GLU 22 OK 44 85 - 52 - 1573/1.8=9, 1555/3.0=7...(21) HA LEU 73 - HG2 GLU 22 OK 11 76 - 14 - 72/5.0=3, 1573/1.8=2...(6) HA ALA 69 - HG2 GLU 22 OK 11 81 - 13 - 1573/1.8=2, 1555/3.0=2...(5) HA3 GLY 29 - HG2 GLU 22 lone 4 85 - 4 - Peak 1568 from cnoeabs.peaks (1.84, 2.07, 36.01 ppm; 3.14 A): 1 out of 11 assignments used, quality = 1.00: * HB2 GLU 22 + HG2 GLU 22 OK 100 100 - 100 - 3.0=100 HB VAL 66 - HG2 GLU 22 OK 18 100 - 18 - 2.1/4463=4, 1574/1.8=3...(6) HB3 GLU 33 - HG2 GLU 22 OK 16 63 - 26 - 1.8/2049=5, 2055=3...(9) HB2 GLU 49 - HG2 GLU 22 OK 14 100 - 14 - 1574/1.8=2, 2462/3.0=2...(4) HG3 PRO 19 - HG2 GLU 22 OK 13 71 - 18 - 3.8/4456=3, 4369/4.0=2...(7) HG2 PRO 81 - HG2 GLU 22 OK 12 87 - 14 - 1574/1.8=2, 1550/4.0=1...(5) HB3 PRO 84 - HG2 GLU 22 OK 12 96 - 13 - 1574/1.8=2, 1562/3.0=1...(4) HB3 LYS 78 - HG2 GLU 22 poor 9 63 - 15 - 1.8/4237=3, 4.0/366=2...(4) HB3 GLU 37 - HG2 GLU 22 lone 8 85 - 9 - 1574/1.8=1 HB2 GLU 37 - HG2 GLU 22 lone 5 65 - 8 - HB2 LYS 44 - HG2 GLU 22 lone 1 63 - 2 - Peak 1569 from cnoeabs.peaks (1.94, 2.07, 36.01 ppm; 2.94 A): 1 out of 15 assignments used, quality = 0.96: * HB3 GLU 22 + HG2 GLU 22 OK 96 100 - 96 - 3.0=93, 1565/1.8=18...(10) HB2 LEU 76 - HG2 GLU 22 OK 38 100 - 38 - 3.1/4465=7, ~4462=4...(15) HB2 GLU 77 - HG2 GLU 22 OK 36 90 - 39 - 1565/1.8=6, 3.0/1567=5...(16) HB2 GLU 33 - HG2 GLU 22 OK 27 100 - 27 - 2049=6, 1.8/2055=3...(9) HB VAL 20 - HG2 GLU 22 OK 20 100 - 20 - 2.1/4465=4, ~4462=3...(9) HG2 PRO 19 - HG2 GLU 22 OK 13 89 - 15 - 3.8/4456=2, 1.8/1568=2...(5) HG3 PRO 84 - HG2 GLU 22 OK 10 99 - 10 - 2.3/1568=2, 1575/1.8=1 HG3 PRO 81 - HG2 GLU 22 poor 9 76 - 12 - 1.8/1568=2, ~1574=1, 1575/1.8=1 HG3 GLU 49 - HG2 GLU 22 lone 9 90 - 10 - 3.0/1568=1, 2477/3.0=1 HB3 PRO 81 - HG2 GLU 22 poor 8 65 - 12 - 2.3/1568=2 HD2 LYS 78 - HG2 GLU 22 lone 7 78 - 9 - 3.7/4237=2, 3.7/4239=1 QE MET 48 - HG2 GLU 22 lone 5 96 - 5 - HB2 GLN 58 - HG2 GLU 22 lone 4 87 - 5 - HB VAL 47 - HG2 GLU 22 lone 3 96 - 3 - HB2 GLU 51 - HG2 GLU 22 lone 1 71 - 2 - Peak 1570 from cnoeabs.peaks (2.07, 2.07, 36.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 22 + HG2 GLU 22 OK 100 100 - 100 Peak 1571 from cnoeabs.peaks (2.12, 2.07, 36.01 ppm; 2.45 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 22 + HG2 GLU 22 OK 100 100 - 100 - 1.8=100 HB3 GLU 25 - HG2 GLU 22 OK 17 76 - 23 - 1559/3.0=3, 1553/4.0=3...(11) Peak 1572 from cnoeabs.peaks (8.23, 2.12, 36.01 ppm; 4.18 A): 2 out of 6 assignments used, quality = 0.93: * H GLU 22 + HG3 GLU 22 OK 91 100 - 91 - 5.0=59, 3.0/1553=27...(11) H ASP 88 + HG3 GLU 22 OK 26 89 - 29 - 583=6, 1566/1.8=5...(7) HE21 GLN 58 - HG3 GLU 22 OK 17 87 - 20 - 1566/1.8=4, 1554/3.0=3...(6) H ALA 86 - HG3 GLU 22 OK 13 89 - 15 - 1566/1.8=3, 1554/3.0=3...(6) H VAL 66 - HG3 GLU 22 OK 11 60 - 19 - 4.0/4460=5, 4.0/1574=3...(7) H LYS 56 - HG3 GLU 22 poor 9 60 - 16 - 1566/1.8=2, 4.0/4458=2...(7) Peak 1573 from cnoeabs.peaks (3.89, 2.12, 36.01 ppm; 3.68 A): 2 out of 5 assignments used, quality = 0.97: * HA GLU 22 + HG3 GLU 22 OK 94 100 - 94 - 4.0=78, 1567/1.8=21...(16) HA GLU 77 + HG3 GLU 22 OK 40 85 - 48 - 1567/1.8=10, 1555/3.0=7...(19) HA ALA 69 - HG3 GLU 22 OK 10 81 - 13 - 1567/1.8=2, 1555/3.0=2...(5) HA LEU 73 - HG3 GLU 22 poor 9 76 - 12 - 72/5.0=3, 1567/1.8=2...(5) HA3 GLY 29 - HG3 GLU 22 lone 4 85 - 4 - Peak 1574 from cnoeabs.peaks (1.84, 2.12, 36.01 ppm; 3.40 A): 1 out of 11 assignments used, quality = 1.00: * HB2 GLU 22 + HG3 GLU 22 OK 100 100 - 100 - 3.0=100 HB VAL 66 - HG3 GLU 22 OK 23 100 - 23 - 2.1/4460=4, ~4463=4...(9) HB2 GLU 49 - HG3 GLU 22 OK 16 100 - 16 - 1568/1.8=3, 2462/3.0=2...(5) HB3 GLU 33 - HG3 GLU 22 OK 16 63 - 25 - ~2049=3, 1.8/1575=3...(9) HG3 PRO 19 - HG3 GLU 22 OK 15 71 - 21 - 3.8/4457=4, 4369/4.0=3...(8) HG2 PRO 81 - HG3 GLU 22 OK 14 87 - 16 - 1568/1.8=2, 1550/4.0=2...(5) HB3 PRO 84 - HG3 GLU 22 OK 14 96 - 15 - 1568/1.8=2, 1562/3.0=2...(4) HB3 GLU 37 - HG3 GLU 22 poor 9 85 - 10 - 1568/1.8=1 HB3 LYS 78 - HG3 GLU 22 poor 9 63 - 14 - ~4237=2, 4239/1.8=2...(4) HB2 GLU 37 - HG3 GLU 22 lone 6 65 - 9 - 1568/1.8=1 HB2 LYS 44 - HG3 GLU 22 lone 1 63 - 2 - Peak 1575 from cnoeabs.peaks (1.94, 2.12, 36.01 ppm; 3.28 A): 2 out of 15 assignments used, quality = 1.00: * HB3 GLU 22 + HG3 GLU 22 OK 100 100 - 100 - 3.0=100 HB2 LEU 76 + HG3 GLU 22 OK 46 100 - 46 - 3.1/4462=9, 3.1/4461=6...(18) HB2 GLU 77 - HG3 GLU 22 OK 43 90 - 48 - 1565=9, 1.8/1576=6...(21) HB2 GLU 33 - HG3 GLU 22 OK 26 100 - 26 - 2049/1.8=5, 1.8/1574=2...(9) HB VAL 20 - HG3 GLU 22 OK 24 100 - 24 - 2.1/4462=5, ~4465=3...(11) HG2 PRO 19 - HG3 GLU 22 OK 16 89 - 19 - 3.8/4457=3, 1.8/1574=2...(6) HG3 PRO 84 - HG3 GLU 22 OK 13 99 - 13 - 2.3/1574=2, 1569/1.8=1...(4) HG3 PRO 81 - HG3 GLU 22 OK 11 76 - 15 - 1.8/1574=2, ~1568=1...(4) HG3 GLU 49 - HG3 GLU 22 OK 11 90 - 12 - 3.0/1574=2, 2477/3.0=2 HB3 PRO 81 - HG3 GLU 22 poor 10 65 - 15 - 2.3/1574=2, ~1568=1...(4) HD2 LYS 78 - HG3 GLU 22 lone 6 78 - 8 - HB2 GLN 58 - HG3 GLU 22 lone 6 87 - 6 - 4.6/1572=1 QE MET 48 - HG3 GLU 22 lone 6 96 - 6 - 4869/4462=1 HB VAL 47 - HG3 GLU 22 lone 3 96 - 3 - HB2 GLU 51 - HG3 GLU 22 lone 1 71 - 2 - Peak 1576 from cnoeabs.peaks (2.07, 2.12, 36.01 ppm; 2.53 A): 1 out of 8 assignments used, quality = 1.00: * HG2 GLU 22 + HG3 GLU 22 OK 100 100 - 100 - 1.8=100 HB3 GLU 77 - HG3 GLU 22 OK 27 100 - 27 - 1.8/1565=5, 3.0/1573=3...(9) HB2 MET 21 - HG3 GLU 22 OK 16 98 - 17 - 4.6/583=4, 1558/3.0=2 HA ALA 75 - HG3 GLU 22 OK 13 92 - 14 - 2.1/4461=2, ~4464=2...(4) HG3 GLU 33 - HG3 GLU 22 OK 12 99 - 12 - 2064/3.0=1, 1558/3.0=1...(4) HB3 GLU 25 - HG3 GLU 22 OK 12 63 - 19 - 1.8/1647=3, 3.0/4457=2...(8) QE MET 21 - HG3 GLU 22 lone 7 97 - 7 - 3846/5.0=1 HG3 GLN 55 - HG3 GLU 22 lone 1 60 - 2 - Peak 1577 from cnoeabs.peaks (2.12, 2.12, 36.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 22 + HG3 GLU 22 OK 100 100 - 100 Peak 1578 from cnoeabs.peaks (8.38, 3.93, 57.73 ppm; 3.79 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 23 + HA LEU 23 OK 100 100 - 100 - 3.0=100 H LEU 23 - HA LEU 73 OK 40 80 - 50 - 585=9, 3.9/1593=5...(18) H ASN 90 - HA LEU 23 OK 23 99 - 23 - 77/3.6=5, 1592/3.0=4...(8) H GLY 39 - HA LEU 23 OK 18 99 - 18 - 77/3.6=3, 1592/3.0=3...(7) H GLY 40 - HA LEU 23 OK 13 99 - 13 - 1592/3.0=3, 1585/3.0=2...(5) H ASN 90 - HA LEU 73 lone 3 77 - 4 - H GLY 39 - HA LEU 73 lone 3 77 - 3 - H GLY 40 - HA LEU 73 lone 2 77 - 3 - Peak 1579 from cnoeabs.peaks (3.93, 3.93, 57.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LEU 23 + HA LEU 23 OK 100 100 - 100 HA LEU 73 + HA LEU 73 OK 61 61 - 100 Peak 1580 from cnoeabs.peaks (2.02, 3.93, 57.73 ppm; 3.36 A): 1 out of 20 assignments used, quality = 1.00: * HB2 LEU 23 + HA LEU 23 OK 100 100 - 100 - 3.0=100 HB2 LEU 23 - HA LEU 73 OK 43 80 - 53 - 3.1/1614=6, 6102/4.5=6...(25) HB2 GLU 25 - HA LEU 23 OK 25 76 - 33 - 4.6/6156=9, 4.1/1035=7...(10) HB3 GLU 49 - HA LEU 23 OK 21 100 - 21 - 1594/3.0=3, 586/3.0=3...(8) HG2 GLU 49 - HA LEU 23 OK 18 100 - 18 - 1594/3.0=3, 586/3.0=3...(7) HB2 LYS 78 - HA LEU 23 OK 16 78 - 21 - 4.0/1097=3, 1594/3.0=3...(6) HE3 LYS 68 - HA LEU 23 poor 9 60 - 15 - 4.9/6159=2, 1594/3.0=1...(6) HB2 GLN 55 - HA LEU 73 poor 9 58 - 15 - 2580/3.0=2, 6102/4.5=2...(7) HB2 GLU 25 - HA LEU 73 poor 9 54 - 16 - 4.6/6156=4, 4.1/1035=4...(4) HB2 GLN 55 - HA LEU 23 lone 8 81 - 10 - 1594/3.0=1, 1608/3.9=1...(4) HG3 GLN 55 - HA LEU 23 lone 7 78 - 9 - 1594/3.0=1, 1615/3.9=1 HG3 GLN 55 - HA LEU 73 poor 6 56 - 11 - 2604/3.0=2, 6102/4.5=2...(4) HB2 LYS 78 - HA LEU 73 lone 5 56 - 9 - ~6138=2, ~6140=2, 4.0/1097=1 HG2 PRO 84 - HA LEU 23 lone 5 83 - 6 - 586/3.0=1 HB2 LEU 34 - HA LEU 23 lone 4 81 - 5 - HG2 PRO 84 - HA LEU 73 lone 4 59 - 7 - ~6138=1, ~6140=1 HB3 GLU 49 - HA LEU 73 lone 3 80 - 4 - 6102/4.5=1 HG2 GLU 49 - HA LEU 73 lone 3 80 - 4 - 6102/4.5=1 HE3 LYS 68 - HA LEU 73 lone 3 41 - 6 - HB2 LEU 34 - HA LEU 73 lone 1 58 - 2 - Peak 1581 from cnoeabs.peaks (1.26, 3.93, 57.73 ppm; 3.44 A): 2 out of 14 assignments used, quality = 1.00: * HB3 LEU 23 + HA LEU 23 OK 100 100 - 100 - 3.0=100 HB2 LEU 79 + HA LEU 23 OK 54 99 - 55 - 587/3.0=7, 1616/3.9=6...(27) HB3 LEU 23 - HA LEU 73 OK 44 80 - 55 - 1593=7, 3.1/1614=7...(26) HG3 LYS 17 - HA LEU 23 OK 19 97 - 20 - 1588/3.0=2, 587/3.0=2...(8) HG3 LYS 65 - HA LEU 23 OK 17 100 - 17 - 1588/3.0=2, 587/3.0=2...(6) HG2 LYS 17 - HA LEU 23 OK 14 81 - 18 - 1588/3.0=2, 587/3.0=2...(10) HG3 LYS 56 - HA LEU 23 OK 11 83 - 14 - 587/3.0=1, 1588/3.0=1...(4) HB2 LEU 79 - HA LEU 73 OK 10 77 - 13 - 5672/4.5=2, 3390/3.9=1 HG3 LYS 65 - HA LEU 73 lone 5 79 - 6 - HG3 LYS 17 - HA LEU 73 lone 3 74 - 4 - 5672/4.5=2 HG3 LYS 56 - HA LEU 73 lone 3 59 - 5 - 5672/4.5=1 HG13 ILE 35 - HA LEU 73 lone 3 39 - 7 - ~6138=1, ~6140=1 HG13 ILE 35 - HA LEU 23 lone 2 57 - 4 - HG2 LYS 17 - HA LEU 73 lone 2 58 - 3 - 5672/4.5=1 Peak 1582 from cnoeabs.peaks (1.61, 3.93, 57.73 ppm; 3.78 A): 4 out of 24 assignments used, quality = 0.99: * HG LEU 23 + HA LEU 23 OK 90 100 - 90 - 4.3=69, 2.1/1614=19...(12) HG LEU 73 + HA LEU 73 OK 77 77 - 100 - 3.7=100 HG LEU 73 + HA LEU 23 OK 52 99 - 53 - 2.1/3197=9, 2.1/3190=8...(15) HG LEU 23 + HA LEU 73 OK 48 80 - 60 - 2.1/1614=10, 2.1/1607=9...(16) HB2 LYS 68 - HA LEU 23 OK 32 99 - 32 - 1.8/6159=4, 3038/3.9=3...(14) HG LEU 87 - HA LEU 23 OK 28 100 - 28 - 1600=3, 588/3.0=2...(12) HG LEU 85 - HA LEU 23 OK 27 99 - 27 - 1600=3, 1596/3.0=2...(12) HB2 LEU 87 - HA LEU 23 OK 26 96 - 27 - 1596/3.0=2, 1610/3.9=2...(14) HG LEU 87 - HA LEU 73 OK 25 80 - 31 - 3179/3.0=4, 3172/3.0=4...(12) HG LEU 85 - HA LEU 73 OK 22 78 - 28 - 3179/3.0=3, 858/3.0=3...(12) HB3 LEU 85 - HA LEU 23 OK 21 83 - 25 - 1596/3.0=2, 1610/3.9=2...(13) HB2 LEU 87 - HA LEU 73 OK 20 72 - 28 - 3179/3.0=3, 3172/3.0=3...(16) HB2 LYS 68 - HA LEU 73 OK 16 77 - 21 - 3172/3.0=2, 858/3.0=2...(10) HB3 LEU 85 - HA LEU 73 OK 14 59 - 24 - 3179/3.0=2, 3172/3.0=2...(16) HB2 LEU 12 - HA LEU 23 OK 12 96 - 13 - 81/3.6=2, 1167/4.8=2, 588/3.0=1 HD3 LYS 91 - HA LEU 73 lone 4 47 - 8 - HB2 LEU 12 - HA LEU 73 lone 4 72 - 6 - ~5711=1 HD2 LYS 91 - HA LEU 73 lone 4 45 - 8 - HD3 LYS 91 - HA LEU 23 lone 4 68 - 5 - 6.0/3852=1 HD2 LYS 91 - HA LEU 23 lone 3 65 - 5 - 6.0/3852=1 HD2 LYS 14 - HA LEU 23 lone 3 65 - 4 - HD3 LYS 14 - HA LEU 23 lone 3 63 - 4 - HD2 LYS 14 - HA LEU 73 lone 2 45 - 3 - HD3 LYS 14 - HA LEU 73 lone 2 43 - 3 - Peak 1583 from cnoeabs.peaks (0.91, 3.93, 57.73 ppm; 3.33 A): 3 out of 12 assignments used, quality = 0.95: * QD2 LEU 23 + HA LEU 23 OK 85 100 - 85 - 3.9=64, 2.1/1614=17...(12) QD2 LEU 23 + HA LEU 73 OK 43 80 - 53 - 1607=11, 2.1/1614=9...(20) HD3 LYS 26 + HA LEU 23 OK 42 92 - 46 - 5.8/6156=6, 3.6/4521=5...(14) HB3 LEU 30 - HA LEU 23 OK 29 92 - 32 - 1597/3.0=4, 1590/3.0=4...(9) HD3 LYS 26 - HA LEU 73 OK 23 68 - 34 - 3.6/4521=4, 1.8/4524=3...(15) HB3 LEU 30 - HA LEU 73 OK 19 68 - 28 - 3.1/6032=4, 1895/3.9=3...(11) QD1 LEU 87 - HA LEU 23 OK 18 83 - 22 - 589/3.0=3, 1597/3.0=3...(10) QD1 LEU 85 - HA LEU 23 OK 15 76 - 20 - 1597/3.0=2, 1590/3.0=2...(8) QD1 LEU 87 - HA LEU 73 OK 11 59 - 18 - 2.1/3183=2, ~3181=2...(8) QD1 LEU 85 - HA LEU 73 poor 9 54 - 16 - ~3181=1, ~3174=1...(8) QG2 VAL 52 - HA LEU 23 lone 4 68 - 6 - QG2 VAL 52 - HA LEU 73 lone 1 47 - 2 - Peak 1584 from cnoeabs.peaks (0.79, 3.93, 57.73 ppm; 2.93 A): 5 out of 10 assignments used, quality = 0.97: * QD1 LEU 23 + HA LEU 23 OK 72 100 - 72 - 3.9=44, 2.1/1607=11...(14) QD1 LEU 73 + HA LEU 73 OK 52 72 - 72 - 3.9=41, 2.1/3197=12...(16) QD1 LEU 73 + HA LEU 23 OK 39 96 - 41 - 3190=7, 2.1/3197=6...(17) QD2 LEU 79 + HA LEU 23 OK 38 100 - 38 - 3414/3.0=4, 590/3.0=4...(20) QD1 LEU 23 + HA LEU 73 OK 37 80 - 46 - 1614=11, 2.1/1607=6...(19) QD1 LEU 30 - HA LEU 23 OK 20 87 - 23 - 6078/3.0=3, 1612/3.9=2...(9) QD1 LEU 30 - HA LEU 73 OK 17 63 - 27 - 3180/3.0=3, 3173/3.0=3...(8) HG3 LYS 68 - HA LEU 23 OK 16 92 - 18 - 1598/3.0=2, 2.9/6159=2...(8) QD2 LEU 79 - HA LEU 73 lone 8 80 - 10 - 859/3.0=1, 3173/3.0=1 HG3 LYS 68 - HA LEU 73 lone 7 68 - 10 - 3173/3.0=1 Peak 1585 from cnoeabs.peaks (8.38, 2.02, 40.48 ppm; 3.99 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 23 + HB2 LEU 23 OK 100 100 - 100 - 3.9=100 H ASN 90 - HB2 LEU 23 OK 25 99 - 25 - 1592/1.8=6, 1613/3.1=5...(7) H GLY 39 - HB2 LEU 23 OK 18 99 - 19 - 1592/1.8=4, 1613/3.1=3...(6) H GLY 40 - HB2 LEU 23 OK 15 99 - 15 - 1592/1.8=4, 1606/3.1=3...(6) H LEU 23 - HE3 LYS 68 poor 6 38 - 16 - 590/3.7=2, 586=2...(8) H GLY 39 - HE3 LYS 68 lone 2 35 - 6 - ~5559=3, ~5555=1 H GLY 40 - HE3 LYS 68 lone 2 35 - 5 - 4790/7.3=4 H ASN 90 - HE3 LYS 68 lone 1 36 - 2 - Peak 1586 from cnoeabs.peaks (3.93, 2.02, 40.48 ppm; 4.11 A): 3 out of 8 assignments used, quality = 1.00: * HA LEU 23 + HB2 LEU 23 OK 100 100 - 100 - 3.0=100 HA LEU 76 + HB2 LEU 23 OK 67 98 - 68 - 1593/1.8=10, 1614/3.1=8...(24) HA LEU 73 + HB2 LEU 23 OK 59 85 - 70 - 4.5/6102=10, 1614/3.1=9...(26) HA ALA 72 - HB2 LEU 23 OK 32 57 - 57 - 2.1/6102=17, ~5672=10...(15) HA LEU 23 - HE3 LYS 68 poor 8 38 - 21 - 6159/4.9=2, 3.9/1615=2...(11) HA LEU 73 - HE3 LYS 68 lone 2 27 - 9 - 3.0/6141=1, 6159/4.9=1 HA LEU 76 - HE3 LYS 68 lone 2 35 - 6 - HA ALA 72 - HE3 LYS 68 lone 1 16 - 8 - 5677/4.9=2, 2.9/5667=1 Peak 1587 from cnoeabs.peaks (2.02, 2.02, 40.48 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 23 + HB2 LEU 23 OK 100 100 - 100 HE3 LYS 68 - HE3 LYS 68 OK 17 17 - 100 Peak 1588 from cnoeabs.peaks (1.26, 2.02, 40.48 ppm; 3.34 A): 2 out of 14 assignments used, quality = 1.00: * HB3 LEU 23 + HB2 LEU 23 OK 100 100 - 100 - 1.8=100 HB2 LEU 79 + HB2 LEU 23 OK 60 99 - 61 - 1616/3.1=8, 1609/3.1=6...(27) HG3 LYS 17 - HB2 LEU 23 OK 22 97 - 22 - 1609/3.1=2, 1616/3.1=2...(9) HG3 LYS 65 - HB2 LEU 23 OK 19 100 - 19 - 1616/3.1=2, 1609/3.1=2...(9) HG2 LYS 17 - HB2 LEU 23 OK 16 81 - 20 - 1609/3.1=2, 1364/1.8=2...(11) HG3 LYS 56 - HB2 LEU 23 OK 12 83 - 15 - 1609/3.1=1, 1616/3.1=1...(5) HB3 LEU 23 - HE3 LYS 68 poor 7 38 - 20 - 1594=2, 1598/3.7=2...(8) HB2 LEU 79 - HE3 LYS 68 poor 6 35 - 18 - 3390/3.7=3, ~5565=2...(5) HG3 LYS 17 - HE3 LYS 68 poor 4 34 - 12 - 1373/3.0=2, 1373/3.0=2...(5) HG13 ILE 35 - HE3 LYS 68 poor 3 16 - 21 - ~2136=2, ~6080=2...(11) HG3 LYS 56 - HE3 LYS 68 poor 3 26 - 12 - 2.9/5214=1, ~3097=1...(6) HG13 ILE 35 - HB2 LEU 23 lone 3 57 - 5 - HG3 LYS 65 - HE3 LYS 68 lone 2 37 - 6 - ~3095=1 HG2 LYS 17 - HE3 LYS 68 lone 2 25 - 9 - ~3096=2, ~1373=1 Peak 1589 from cnoeabs.peaks (1.61, 2.02, 40.48 ppm; 4.14 A): 2 out of 24 assignments used, quality = 1.00: * HG LEU 23 + HB2 LEU 23 OK 100 100 - 100 - 3.0=100 HG LEU 73 + HB2 LEU 23 OK 69 99 - 70 - 2.1/1591=6, 1617/3.1=6...(34) HB2 LYS 68 - HB2 LEU 23 OK 45 99 - 45 - 3038/3.1=5, 1596/1.8=4...(20) HG LEU 87 - HB2 LEU 23 OK 41 100 - 41 - 2.1/1590=4, 1596/1.8=4...(14) HG LEU 85 - HB2 LEU 23 OK 40 99 - 40 - 2.1/1590=4, 1596/1.8=4...(15) HB2 LEU 87 - HB2 LEU 23 OK 39 96 - 41 - 1596/1.8=4, 3.1/1590=3...(14) HB3 LEU 85 - HB2 LEU 23 OK 33 83 - 40 - 3.1/1590=3, 1596/1.8=3...(16) HB2 LYS 68 - HE3 LYS 68 OK 31 35 - 86 - 4.9=59, ~3094=14...(16) HB2 LEU 12 - HB2 LEU 23 OK 15 96 - 16 - 81/4.6=2, 1596/1.8=1...(6) HG LEU 23 - HE3 LYS 68 OK 13 38 - 34 - 3095/1.8=4, ~3098=3...(15) HB2 LEU 12 - HE3 LYS 68 poor 10 33 - 29 - 1169/3.7=5, 3095/1.8=4...(11) HG LEU 73 - HE3 LYS 68 poor 9 35 - 26 - ~6105=3, ~6104=3...(11) HD3 LYS 91 - HB2 LEU 23 lone 5 68 - 8 - 6.0/3853=2, 3.7/4476=1 HD2 LYS 91 - HB2 LEU 23 lone 5 65 - 8 - 6.0/3853=2, 3.7/4476=1 HG LEU 85 - HE3 LYS 68 lone 3 36 - 9 - 3095/1.8=1 HG LEU 87 - HE3 LYS 68 lone 3 37 - 8 - HD2 LYS 14 - HB2 LEU 23 lone 3 65 - 4 - HD3 LYS 14 - HB2 LEU 23 lone 3 63 - 4 - HB2 LEU 87 - HE3 LYS 68 lone 3 33 - 8 - 3095/1.8=1 HD2 LYS 14 - HE3 LYS 68 poor 2 19 - 12 - 3095/1.8=1, 3055/3.7=1 HB3 LEU 85 - HE3 LYS 68 lone 2 26 - 8 - 3095/1.8=1 HD3 LYS 14 - HE3 LYS 68 poor 2 18 - 12 - 3095/1.8=1, 3055/3.7=1...(4) HD3 LYS 91 - HE3 LYS 68 lone 0 20 - 2 - HD2 LYS 91 - HE3 LYS 68 lone 0 19 - 2 - Peak 1590 from cnoeabs.peaks (0.91, 2.02, 40.48 ppm; 3.65 A): 1 out of 12 assignments used, quality = 1.00: * QD2 LEU 23 + HB2 LEU 23 OK 100 100 - 100 - 3.1=100 HB3 LEU 30 - HB2 LEU 23 OK 43 92 - 47 - 1597/1.8=7, 1618/3.1=6...(19) HD3 LYS 26 - HB2 LEU 23 OK 36 92 - 39 - 4525/3.0=5, 1597/1.8=5...(13) QD1 LEU 87 - HB2 LEU 23 OK 27 83 - 32 - 1597/1.8=4, 1618/3.1=3...(11) QD1 LEU 85 - HB2 LEU 23 OK 24 76 - 32 - 1597/1.8=4, 2.1/1589=2...(12) QD2 LEU 23 - HE3 LYS 68 poor 9 38 - 25 - 1608=3, ~3098=3...(10) HD3 LYS 26 - HE3 LYS 68 poor 9 31 - 30 - 1733/3.0=4, 1733/3.0=4...(13) QG2 VAL 52 - HB2 LEU 23 lone 6 68 - 9 - HB3 LEU 30 - HE3 LYS 68 lone 1 31 - 4 - QD1 LEU 87 - HE3 LYS 68 lone 1 26 - 3 - QD1 LEU 85 - HE3 LYS 68 lone 1 23 - 3 - QG2 VAL 52 - HE3 LYS 68 lone 0 20 - 1 - Peak 1591 from cnoeabs.peaks (0.79, 2.02, 40.48 ppm; 3.87 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 23 + HB2 LEU 23 OK 100 100 - 100 - 3.1=100 QD2 LEU 79 + HB2 LEU 23 OK 71 100 - 71 - 3414/1.8=9, 3.1/1588=7...(29) QD1 LEU 73 + HB2 LEU 23 OK 63 96 - 66 - 3190/3.0=7, 1598/1.8=7...(36) QD1 LEU 30 - HB2 LEU 23 OK 43 87 - 49 - 6078/1.8=8, 6032/3.0=5...(17) HG3 LYS 68 - HB2 LEU 23 OK 36 92 - 39 - 1598/1.8=5, 1612/3.1=3...(19) HG3 LYS 68 - HE3 LYS 68 OK 31 31 - 100 - 3.7=100 QD2 LEU 79 - HE3 LYS 68 OK 13 37 - 34 - 3098/1.8=5, ~5565=4...(13) QD1 LEU 23 - HE3 LYS 68 OK 12 38 - 32 - 3098/1.8=4, 1615=3...(12) QD1 LEU 73 - HE3 LYS 68 poor 7 33 - 22 - 6104/1.8=4, 6107/3.7=4...(7) QD1 LEU 30 - HE3 LYS 68 lone 2 28 - 6 - 6078/3.0=1, 6078/3.0=1 Peak 1592 from cnoeabs.peaks (8.38, 1.26, 40.48 ppm; 4.08 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 23 + HB3 LEU 23 OK 100 100 - 100 - 3.9=100 H ASN 90 - HB3 LEU 23 OK 26 99 - 26 - 1585/1.8=6, 1613/3.1=5...(7) H GLY 39 - HB3 LEU 23 OK 19 99 - 19 - 1585/1.8=4, 1613/3.1=4...(6) H GLY 40 - HB3 LEU 23 OK 16 99 - 16 - 1585/1.8=4, 1606/3.1=3...(6) Peak 1593 from cnoeabs.peaks (3.93, 1.26, 40.48 ppm; 4.00 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 23 + HB3 LEU 23 OK 100 100 - 100 - 3.0=100 HA LEU 76 + HB3 LEU 23 OK 68 98 - 69 - 1586/1.8=9, 1614/3.1=8...(28) HA LEU 73 + HB3 LEU 23 OK 57 85 - 68 - 1614/3.1=9, 1586/1.8=8...(26) HA ALA 72 - HB3 LEU 23 OK 32 57 - 56 - 2.1/5672=14, ~6102=11...(16) Peak 1594 from cnoeabs.peaks (2.02, 1.26, 40.48 ppm; 3.46 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 23 + HB3 LEU 23 OK 100 100 - 100 - 1.8=100 HB3 GLU 49 - HB3 LEU 23 OK 27 100 - 27 - 1608/3.1=3, 1615/3.1=3...(10) HG2 GLU 49 - HB3 LEU 23 OK 24 100 - 24 - 4975=3, 1608/3.1=2...(11) HB2 LYS 78 - HB3 LEU 23 OK 24 78 - 31 - 1615/3.1=3, 4.4/892=3...(15) HB2 GLU 25 - HB3 LEU 23 OK 14 76 - 18 - 79/4.6=3, 586/3.9=3...(6) HE3 LYS 68 - HB3 LEU 23 OK 13 60 - 21 - 3.7/1598=2, 1615/3.1=2...(9) HB2 GLN 55 - HB3 LEU 23 OK 12 81 - 15 - 1608/3.1=1, 1615/3.1=1 HG3 GLN 55 - HB3 LEU 23 OK 11 78 - 14 - 1615/3.1=1, 1608/3.1=1 HB2 LEU 34 - HB3 LEU 23 lone 5 81 - 6 - HG2 PRO 84 - HB3 LEU 23 lone 4 83 - 5 - Peak 1595 from cnoeabs.peaks (1.26, 1.26, 40.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 23 + HB3 LEU 23 OK 100 100 - 100 Peak 1596 from cnoeabs.peaks (1.61, 1.26, 40.48 ppm; 4.40 A): 4 out of 12 assignments used, quality = 1.00: * HG LEU 23 + HB3 LEU 23 OK 100 100 - 100 - 3.0=100 HG LEU 73 + HB3 LEU 23 OK 74 99 - 75 - 2.1/1598=8, 3.7/1593=7...(36) HB2 LYS 68 + HB3 LEU 23 OK 54 99 - 55 - 3038/3.1=5, 2.9/1598=4...(26) HG LEU 87 + HB3 LEU 23 OK 45 100 - 45 - 2.1/1597=5, 1617/3.1=4...(15) HB2 LEU 87 - HB3 LEU 23 OK 44 96 - 46 - 3.1/1597=4, 1610/3.1=3...(16) HG LEU 85 - HB3 LEU 23 OK 43 99 - 44 - 2.1/1597=4, 1589/1.8=4...(16) HB3 LEU 85 - HB3 LEU 23 OK 36 83 - 44 - 3.1/1597=4, 1610/3.1=3...(17) HB2 LEU 12 - HB3 LEU 23 OK 18 96 - 19 - 81/4.6=2, 3.0/4471=2...(6) HD3 LYS 91 - HB3 LEU 23 lone 7 68 - 9 - 6.0/3854=3, 3.7/4477=2 HD2 LYS 91 - HB3 LEU 23 lone 6 65 - 9 - 6.0/3854=3, 3.7/4477=2 HD2 LYS 14 - HB3 LEU 23 lone 4 65 - 5 - HD3 LYS 14 - HB3 LEU 23 lone 3 63 - 5 - Peak 1597 from cnoeabs.peaks (0.91, 1.26, 40.48 ppm; 3.68 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 23 + HB3 LEU 23 OK 100 100 - 100 - 3.1=100 HB3 LEU 30 - HB3 LEU 23 OK 44 92 - 48 - 3.1/6078=6, 1590/1.8=6...(19) HD3 LYS 26 - HB3 LEU 23 OK 35 92 - 38 - 4525/3.0=6, 1590/1.8=5...(11) QD1 LEU 87 - HB3 LEU 23 OK 28 83 - 33 - 1590/1.8=4, 1618/3.1=3...(11) QD1 LEU 85 - HB3 LEU 23 OK 24 76 - 32 - 1590/1.8=3, 2.1/1596=3...(11) QG2 VAL 52 - HB3 LEU 23 lone 6 68 - 9 - Peak 1598 from cnoeabs.peaks (0.79, 1.26, 40.48 ppm; 3.93 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 23 + HB3 LEU 23 OK 100 100 - 100 - 3.1=100 QD2 LEU 79 + HB3 LEU 23 OK 77 100 - 78 - 3414=11, 2.1/3407=9...(33) QD1 LEU 73 + HB3 LEU 23 OK 65 96 - 68 - 3190/3.0=7, 1591/1.8=6...(37) QD1 LEU 30 - HB3 LEU 23 OK 44 87 - 51 - 6078=8, 3.1/1597=6...(17) HG3 LYS 68 - HB3 LEU 23 OK 40 92 - 44 - 1591/1.8=4, 1612/3.1=4...(22) Peak 1599 from cnoeabs.peaks (8.38, 1.61, 26.77 ppm; 4.84 A): 2 out of 16 assignments used, quality = 0.99: * H LEU 23 + HG LEU 23 OK 97 100 - 97 - 5.1=84, 1613/2.1=26...(12) H LEU 23 + HG LEU 73 OK 64 98 - 65 - 590/2.1=10, 588=9...(19) H LEU 23 - HG LEU 87 OK 37 100 - 37 - 71/4.9=5, 589/2.1=5...(13) H LEU 23 - HG LEU 85 OK 31 99 - 31 - 588=4, 589/2.1=4...(12) H ASN 90 - HG LEU 23 OK 29 99 - 29 - 1606/2.1=7, 1613/2.1=7...(5) H GLY 39 - HG LEU 23 OK 24 99 - 24 - 1606/2.1=6, 1613/2.1=6...(5) H GLY 40 - HG LEU 23 OK 20 99 - 20 - 1606/2.1=4, 1613/2.1=4...(5) H ASN 90 - HG LEU 87 lone 8 99 - 8 - 426/3.7=2, 960/4.9=2 H ASN 90 - HG LEU 85 lone 6 98 - 6 - 4.6/6026=1, 426/3.7=1 H ASN 90 - HG LEU 73 lone 5 96 - 5 - H GLY 39 - HG LEU 87 lone 5 99 - 5 - H GLY 39 - HG LEU 73 lone 4 96 - 5 - H GLY 40 - HG LEU 73 lone 4 96 - 4 - H GLY 39 - HG LEU 85 lone 4 97 - 4 - H GLY 40 - HG LEU 87 lone 4 99 - 4 - H GLY 40 - HG LEU 85 lone 3 97 - 3 - Peak 1600 from cnoeabs.peaks (3.93, 1.61, 26.77 ppm; 3.63 A): 4 out of 16 assignments used, quality = 0.99: * HA LEU 23 + HG LEU 23 OK 86 100 - 87 - 4.3=62, 1614/2.1=18...(12) HA LEU 73 + HG LEU 73 OK 80 81 - 99 - 3.7=97, 3197/2.1=14...(15) HA LEU 73 + HG LEU 23 OK 49 85 - 58 - 1614/2.1=9, 1607/2.1=8...(16) HA LEU 23 + HG LEU 73 OK 46 98 - 48 - 3197/2.1=7, 3190/2.1=6...(15) HA LEU 76 - HG LEU 23 OK 41 98 - 41 - 1614/2.1=9, 1607/2.1=7...(11) HA LEU 23 - HG LEU 87 OK 28 100 - 28 - 1582=2, 1583/2.1=2...(13) HA ALA 72 - HG LEU 23 OK 27 57 - 47 - ~5673=6, 5768/2.1=6...(15) HA LEU 73 - HG LEU 87 OK 26 85 - 31 - 3.0/3179=3, 3.0/3172=3...(13) HA LEU 23 - HG LEU 85 OK 26 99 - 26 - 1582=2, 3.0/1596=2...(14) HA LEU 76 - HG LEU 73 OK 25 95 - 27 - ~6174=3, 3197/2.1=3...(12) HA LEU 73 - HG LEU 85 OK 23 83 - 27 - 3.0/3179=3, 3.0/3172=3...(12) HA LEU 76 - HG LEU 87 OK 17 98 - 17 - 3220/2.1=2, 6158/5.2=2...(5) HA ALA 72 - HG LEU 73 OK 14 54 - 27 - 3.6/858=9, ~5704=3...(8) HA LEU 76 - HG LEU 85 OK 11 97 - 11 - 3220/2.1=2, ~6174=1 HA ALA 72 - HG LEU 87 poor 7 57 - 12 - 3.6/858=3, ~5673=1, 5768/2.1=1 HA ALA 72 - HG LEU 85 poor 6 56 - 11 - 3.6/858=2, 5768/2.1=1, ~5673=1 Peak 1601 from cnoeabs.peaks (2.02, 1.61, 26.77 ppm; 3.56 A): 2 out of 40 assignments used, quality = 1.00: * HB2 LEU 23 + HG LEU 23 OK 100 100 - 100 - 3.0=100 HB2 LEU 23 + HG LEU 73 OK 57 98 - 58 - 1591/2.1=5, 3.1/1617=5...(31) HB2 LEU 23 - HG LEU 87 OK 33 100 - 33 - 1590/2.1=3, 1589=3...(12) HB2 LEU 23 - HG LEU 85 OK 32 99 - 32 - 1590/2.1=3, 1589=3...(12) HB3 GLU 49 - HG LEU 23 OK 26 100 - 26 - 1608/2.1=4, 1615/2.1=4...(12) HG2 GLU 49 - HG LEU 23 OK 22 100 - 22 - 1608/2.1=3, 1615/2.1=3...(9) HB2 LYS 78 - HG LEU 23 OK 21 78 - 27 - 1615/2.1=5, ~5815=3...(12) HB2 GLN 55 - HG LEU 73 OK 17 76 - 22 - 2580/3.0=2, ~3198=2...(14) HE3 LYS 68 - HG LEU 23 OK 16 60 - 27 - 1.8/3095=3, ~3098=3...(11) HB2 GLU 25 - HG LEU 73 OK 16 72 - 22 - ~6103=4, ~6104=2...(9) HB2 LYS 78 - HG LEU 73 OK 15 74 - 21 - ~6145=3, ~6116=3...(8) HG3 GLN 55 - HG LEU 73 OK 13 74 - 17 - 2604/3.0=3, 5182/2.1=2...(8) HB2 GLU 25 - HG LEU 23 OK 12 76 - 16 - 1608/2.1=2, 586/5.1=2...(5) HG2 PRO 84 - HG LEU 73 OK 12 79 - 16 - ~6147=3, ~6145=2...(7) HB2 GLN 55 - HG LEU 23 OK 11 81 - 14 - 1608/2.1=2, 1615/2.1=2...(4) HE3 LYS 68 - HG LEU 73 OK 11 56 - 20 - ~6104=3, ~6105=2...(9) HB2 LYS 78 - HG LEU 87 OK 11 78 - 14 - 3298/3.7=3, 4088/5.2=2...(4) HG3 GLN 55 - HG LEU 23 OK 11 78 - 14 - 1615/2.1=2, 1608/2.1=2...(4) HB3 GLU 49 - HG LEU 85 lone 10 99 - 10 - ~5958=1, 4969/2.1=1 HB2 LYS 78 - HG LEU 85 poor 9 76 - 11 - 3298/3.7=2, ~5813=2, ~5958=1 HG2 GLU 49 - HG LEU 85 lone 9 99 - 9 - 4977/2.1=1 HG2 PRO 84 - HG LEU 85 lone 7 81 - 9 - 3.8/5954=3, ~5958=2, 4117/5.1=2 HB3 GLU 49 - HG LEU 73 lone 6 98 - 6 - HG2 GLU 49 - HG LEU 73 lone 5 98 - 6 - HG2 GLU 49 - HG LEU 87 lone 4 100 - 4 - HE3 LYS 68 - HG LEU 85 lone 4 58 - 7 - HG2 PRO 84 - HG LEU 23 lone 4 83 - 5 - HB2 LEU 34 - HG LEU 23 lone 4 81 - 5 - HE3 LYS 68 - HG LEU 87 lone 4 60 - 6 - HB3 GLU 49 - HG LEU 87 lone 4 100 - 4 - HG2 PRO 84 - HG LEU 87 lone 3 83 - 4 - ~5958=1, 3.8/5954=1 HB2 GLN 55 - HG LEU 87 lone 3 81 - 4 - HG3 GLN 55 - HG LEU 87 lone 3 78 - 4 - HB2 LEU 34 - HG LEU 85 lone 2 79 - 3 - HB2 GLN 55 - HG LEU 85 lone 2 79 - 3 - HB2 GLU 25 - HG LEU 87 lone 2 76 - 3 - HG3 GLN 55 - HG LEU 85 lone 2 76 - 3 - HB2 LEU 34 - HG LEU 87 lone 2 81 - 2 - HB2 GLU 25 - HG LEU 85 lone 2 74 - 2 - HB2 LEU 34 - HG LEU 73 lone 1 76 - 1 - Peak 1602 from cnoeabs.peaks (1.26, 1.61, 26.77 ppm; 4.80 A): 5 out of 28 assignments used, quality = 1.00: * HB3 LEU 23 + HG LEU 23 OK 100 100 - 100 - 3.0=100 HB2 LEU 79 + HG LEU 23 OK 82 99 - 83 - 1616/2.1=14, 1609/2.1=13...(29) HB3 LEU 23 + HG LEU 73 OK 80 98 - 82 - 1598/2.1=9, 1596=9...(37) HB3 LEU 23 + HG LEU 87 OK 53 100 - 53 - 1597/2.1=6, 1596=5...(18) HB3 LEU 23 + HG LEU 85 OK 51 99 - 51 - 1596=5, 1597/2.1=5...(18) HG3 LYS 17 - HG LEU 23 OK 33 97 - 34 - 1609/2.1=5, 1588/3.0=4...(13) HG3 LYS 65 - HG LEU 23 OK 32 100 - 32 - 1616/2.1=4, 1609/2.1=4...(14) HG2 LYS 17 - HG LEU 23 OK 25 81 - 31 - 1609/2.1=3, ~1609=3...(13) HB2 LEU 79 - HG LEU 73 OK 24 96 - 25 - 3390/2.1=3, ~3397=2...(12) HG3 LYS 56 - HG LEU 23 OK 20 83 - 23 - 1609/2.1=3, 1588/3.0=2...(11) HG13 ILE 35 - HG LEU 73 OK 15 54 - 28 - ~6147=5, ~6145=3...(12) HB2 LEU 79 - HG LEU 87 OK 14 99 - 14 - 3384/5.2=4, 4.0/3640=2 HG3 LYS 65 - HG LEU 73 OK 11 98 - 11 - HG3 LYS 65 - HG LEU 87 OK 11 100 - 11 - 4035/4.9=2 HG3 LYS 56 - HG LEU 87 poor 10 83 - 12 - 2649/5.2=1, 4.7/3640=1 HG3 LYS 65 - HG LEU 85 lone 9 99 - 9 - HB2 LEU 79 - HG LEU 85 lone 8 97 - 8 - 4.0/3640=2 HG3 LYS 56 - HG LEU 85 lone 7 81 - 9 - HG3 LYS 17 - HG LEU 87 lone 6 97 - 6 - HG3 LYS 17 - HG LEU 85 lone 6 95 - 6 - HG3 LYS 56 - HG LEU 73 lone 5 79 - 7 - HG13 ILE 35 - HG LEU 23 lone 4 57 - 8 - HG13 ILE 35 - HG LEU 85 lone 4 56 - 8 - HG3 LYS 17 - HG LEU 73 lone 4 93 - 4 - HG2 LYS 17 - HG LEU 85 lone 4 79 - 5 - HG2 LYS 17 - HG LEU 87 lone 4 81 - 5 - HG13 ILE 35 - HG LEU 87 lone 3 57 - 5 - HG2 LYS 17 - HG LEU 73 lone 3 76 - 4 - Peak 1603 from cnoeabs.peaks (1.61, 1.61, 26.77 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG LEU 23 + HG LEU 23 OK 100 100 - 100 HG LEU 87 + HG LEU 87 OK 100 100 - 100 HG LEU 85 + HG LEU 85 OK 98 98 - 100 HG LEU 73 + HG LEU 73 OK 96 96 - 100 Peak 1604 from cnoeabs.peaks (0.91, 1.61, 26.77 ppm; 3.04 A): 3 out of 24 assignments used, quality = 1.00: * QD2 LEU 23 + HG LEU 23 OK 100 100 - 100 - 2.1=100 QD1 LEU 87 + HG LEU 87 OK 83 83 - 100 - 2.1=100 QD1 LEU 85 + HG LEU 85 OK 74 74 - 100 - 2.1=100 QD2 LEU 23 - HG LEU 73 OK 42 98 - 43 - 1610=6, 1612/2.1=5...(22) QD1 LEU 87 - HG LEU 85 OK 36 81 - 45 - 3605/2.1=3, 3.1/3643=3...(28) HB3 LEU 30 - HG LEU 87 OK 36 92 - 39 - 3.1/6079=4, 1891/3.7=3...(16) QD1 LEU 85 - HG LEU 87 OK 34 76 - 45 - 3653/2.1=3, 3603=2...(30) HB3 LEU 30 - HG LEU 23 OK 32 92 - 35 - 1618/2.1=6, 1597/3.0=4...(17) HB3 LEU 30 - HG LEU 73 OK 30 88 - 35 - 1895/2.1=4, 3.1/6079=4...(16) QD2 LEU 23 - HG LEU 87 OK 24 100 - 24 - 1610=4, 2.1/1617=3...(7) QD2 LEU 23 - HG LEU 85 OK 23 99 - 23 - 1610=3, 2.1/1617=3...(7) HD3 LYS 26 - HG LEU 87 OK 21 92 - 23 - 1734/2.1=3, ~1725=2...(6) HD3 LYS 26 - HG LEU 73 OK 19 88 - 22 - 1734/2.1=3, 1732/2.1=2...(7) HD3 LYS 26 - HG LEU 85 OK 19 90 - 21 - 1734/2.1=3, ~1725=2...(5) QD1 LEU 87 - HG LEU 73 OK 17 79 - 22 - ~3200=2, ~3193=1...(10) QD1 LEU 87 - HG LEU 23 OK 17 83 - 21 - 1618/2.1=3, 1597/3.0=2...(7) HB3 LEU 30 - HG LEU 85 OK 17 90 - 19 - 3.1/6079=2, ~1886=1, 1.8/3185=1 HD3 LYS 26 - HG LEU 23 OK 17 92 - 18 - 1618/2.1=3, 1597/3.0=3...(6) QD1 LEU 85 - HG LEU 23 OK 15 76 - 20 - 1618/2.1=2, 1597/3.0=2...(6) QD1 LEU 85 - HG LEU 73 OK 13 72 - 19 - ~3200=1, 3653/2.1=1...(6) QG2 VAL 52 - HG LEU 23 lone 3 68 - 4 - QG2 VAL 52 - HG LEU 87 lone 2 68 - 4 - QG2 VAL 52 - HG LEU 85 lone 2 66 - 3 - QG2 VAL 52 - HG LEU 73 lone 1 64 - 2 - Peak 1605 from cnoeabs.peaks (0.79, 1.61, 26.77 ppm; 2.81 A): 2 out of 20 assignments used, quality = 1.00: * QD1 LEU 23 + HG LEU 23 OK 100 100 - 100 - 2.1=100 QD1 LEU 73 + HG LEU 73 OK 92 92 - 100 - 2.1=100 QD2 LEU 79 - HG LEU 23 OK 42 100 - 42 - 1612/2.1=5, 3414/3.0=4...(26) QD1 LEU 23 - HG LEU 73 OK 40 98 - 41 - 1617=6, 3201/2.1=5...(18) QD1 LEU 73 - HG LEU 23 OK 39 96 - 41 - 3193=6, 1612/2.1=4...(19) QD1 LEU 30 - HG LEU 87 OK 31 87 - 36 - 6079=4, 1907/2.1=3...(15) QD1 LEU 30 - HG LEU 73 OK 28 83 - 34 - 3201/2.1=4, 6079=4...(12) QD1 LEU 73 - HG LEU 87 OK 27 96 - 28 - 3193=4, 2.1/3200=3...(8) QD1 LEU 30 - HG LEU 23 OK 25 87 - 29 - 1612/2.1=4, 6079=4...(13) HG3 LYS 68 - HG LEU 23 OK 25 92 - 27 - 1612/2.1=3, 1.8/3055=3...(12) QD1 LEU 23 - HG LEU 87 OK 23 100 - 23 - 1617=3, 1618/2.1=3...(6) QD1 LEU 23 - HG LEU 85 OK 22 99 - 22 - 1617=3, 1618/2.1=2...(6) QD1 LEU 73 - HG LEU 85 OK 22 94 - 23 - 3193=3, 2.1/3200=2...(6) HG3 LYS 68 - HG LEU 73 OK 16 88 - 18 - ~6107=2, 1.8/3055=2...(5) QD1 LEU 30 - HG LEU 85 OK 15 85 - 17 - 6079=2, 1907/2.1=2, 6079/3.0=1 QD2 LEU 79 - HG LEU 73 lone 9 98 - 9 - 3201/2.1=1 HG3 LYS 68 - HG LEU 87 lone 6 92 - 6 - HG3 LYS 68 - HG LEU 85 lone 6 90 - 6 - QD2 LEU 79 - HG LEU 87 lone 6 100 - 6 - 5843/3.7=1, 3412/5.2=1 QD2 LEU 79 - HG LEU 85 lone 3 99 - 3 - Peak 1606 from cnoeabs.peaks (8.38, 0.91, 26.04 ppm; 4.28 A): 1 out of 4 assignments used, quality = 0.95: * H LEU 23 + QD2 LEU 23 OK 95 100 - 95 - 4.8=72, 1613/2.1=22...(17) H ASN 90 - QD2 LEU 23 OK 27 99 - 27 - 1613/2.1=6, 1592/3.1=5...(7) H GLY 39 - QD2 LEU 23 OK 20 99 - 21 - 1613/2.1=5, 1592/3.1=4...(6) H GLY 40 - QD2 LEU 23 OK 16 99 - 16 - 1613/2.1=4, 1592/3.1=3...(6) Peak 1607 from cnoeabs.peaks (3.93, 0.91, 26.04 ppm; 3.40 A): 3 out of 4 assignments used, quality = 0.96: * HA LEU 23 + QD2 LEU 23 OK 87 100 - 87 - 3.9=69, 1614/2.1=17...(12) HA LEU 73 + QD2 LEU 23 OK 45 85 - 53 - 1614/2.1=9, 1583=7...(20) HA LEU 76 + QD2 LEU 23 OK 38 98 - 39 - 1614/2.1=8, 1593/3.1=5...(13) HA ALA 72 - QD2 LEU 23 OK 27 57 - 47 - 2.1/5673=10, 5768=7...(13) Peak 1608 from cnoeabs.peaks (2.02, 0.91, 26.04 ppm; 3.49 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 23 + QD2 LEU 23 OK 100 100 - 100 - 3.1=100 HB3 GLU 49 - QD2 LEU 23 OK 27 100 - 27 - 1615/2.1=4, 4.3/4990=3...(12) HB2 LYS 78 - QD2 LEU 23 OK 22 78 - 29 - 1615/2.1=4, 4.4/5834=4...(10) HG2 GLU 49 - QD2 LEU 23 OK 22 100 - 22 - 1615/2.1=3, 1594/3.1=3...(9) HB2 GLU 25 - QD2 LEU 23 OK 16 76 - 21 - 4.1/4503=4, 79/5.0=3...(7) HE3 LYS 68 - QD2 LEU 23 OK 15 60 - 25 - 5568/6201=3, ~3098=2...(9) HB2 GLN 55 - QD2 LEU 23 OK 13 81 - 16 - 1615/2.1=2, 1594/3.1=1 HG3 GLN 55 - QD2 LEU 23 OK 11 78 - 14 - 1615/2.1=2, 1594/3.1=1...(4) HB2 LEU 34 - QD2 LEU 23 lone 5 81 - 6 - HG2 PRO 84 - QD2 LEU 23 lone 4 83 - 5 - Peak 1609 from cnoeabs.peaks (1.26, 0.91, 26.04 ppm; 3.59 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 23 + QD2 LEU 23 OK 100 100 - 100 - 3.1=100 HB2 LEU 79 + QD2 LEU 23 OK 67 99 - 69 - 1616/2.1=11, 1588/3.1=6...(30) HG3 LYS 17 - QD2 LEU 23 OK 23 97 - 23 - 1616/2.1=3, 1588/3.1=2...(11) HG3 LYS 65 - QD2 LEU 23 OK 19 100 - 19 - 1616/2.1=3, 1588/3.1=2...(9) HG2 LYS 17 - QD2 LEU 23 OK 17 81 - 21 - 1616/2.1=2, 1588/3.1=2...(9) HG3 LYS 56 - QD2 LEU 23 OK 13 83 - 15 - 2.9/4478=2, 1616/2.1=2 HG13 ILE 35 - QD2 LEU 23 lone 3 57 - 5 - Peak 1610 from cnoeabs.peaks (1.61, 0.91, 26.04 ppm; 3.32 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 23 + QD2 LEU 23 OK 100 100 - 100 - 2.1=100 HG LEU 73 + QD2 LEU 23 OK 47 99 - 48 - 1617/2.1=6, 2.1/1612=6...(25) HB2 LYS 68 - QD2 LEU 23 OK 34 99 - 34 - 1617/2.1=4, 5522/6201=3...(14) HG LEU 87 - QD2 LEU 23 OK 27 100 - 27 - 1617/2.1=3, 1604=2...(8) HB2 LEU 87 - QD2 LEU 23 OK 27 96 - 28 - 1617/2.1=3, 1596/3.1=2...(8) HG LEU 85 - QD2 LEU 23 OK 26 99 - 26 - 1617/2.1=3, 3.0/4478=2...(8) HB3 LEU 85 - QD2 LEU 23 OK 22 83 - 27 - 1.8/4478=3, 1617/2.1=2...(6) HB2 LEU 12 - QD2 LEU 23 lone 9 96 - 9 - 1617/2.1=1 HD3 LYS 91 - QD2 LEU 23 lone 3 68 - 4 - 6.0/3856=1 HD2 LYS 91 - QD2 LEU 23 lone 3 65 - 4 - 6.0/3856=1 HD2 LYS 14 - QD2 LEU 23 lone 2 65 - 2 - HD3 LYS 14 - QD2 LEU 23 lone 1 63 - 2 - Peak 1611 from cnoeabs.peaks (0.91, 0.91, 26.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 23 + QD2 LEU 23 OK 100 100 - 100 Peak 1612 from cnoeabs.peaks (0.79, 0.91, 26.04 ppm; 2.88 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 23 + QD2 LEU 23 OK 100 100 - 100 - 2.1=100 QD2 LEU 79 + QD2 LEU 23 OK 46 100 - 46 - 2.1/4478=5, 3.1/1609=5...(25) QD1 LEU 73 - QD2 LEU 23 OK 37 96 - 39 - 2.1/1610=4, 3193/2.1=4...(17) QD1 LEU 30 - QD2 LEU 23 OK 34 87 - 39 - 4585/4480=6, 1907=5...(16) HG3 LYS 68 - QD2 LEU 23 OK 23 92 - 25 - 5528/6201=2, 2.9/1610=2...(10) Peak 1613 from cnoeabs.peaks (8.38, 0.79, 22.27 ppm; 4.25 A): 1 out of 4 assignments used, quality = 0.94: * H LEU 23 + QD1 LEU 23 OK 94 100 - 94 - 4.8=70, 589/2.1=22...(16) H ASN 90 - QD1 LEU 23 OK 27 99 - 27 - 1606/2.1=6, 1592/3.1=5...(7) H GLY 39 - QD1 LEU 23 OK 20 99 - 20 - 1606/2.1=5, 1592/3.1=4...(6) H GLY 40 - QD1 LEU 23 OK 16 99 - 16 - 1606/2.1=4, 1592/3.1=3...(6) Peak 1614 from cnoeabs.peaks (3.93, 0.79, 22.27 ppm; 2.93 A): 4 out of 4 assignments used, quality = 0.91: * HA LEU 23 + QD1 LEU 23 OK 72 100 - 72 - 3.9=44, 1607/2.1=11...(14) HA LEU 73 + QD1 LEU 23 OK 37 85 - 44 - 1584=6, 1607/2.1=6...(19) HA LEU 76 + QD1 LEU 23 OK 35 98 - 36 - 3.0/4482=6, 1607/2.1=5...(13) HA ALA 72 + QD1 LEU 23 OK 19 57 - 34 - 5768/2.1=5, 3.6/4482=4...(13) Peak 1615 from cnoeabs.peaks (2.02, 0.79, 22.27 ppm; 3.43 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 23 + QD1 LEU 23 OK 100 100 - 100 - 3.1=100 HB2 LYS 78 - QD1 LEU 23 OK 31 78 - 40 - 2.8/5815=6, 4.0/4483=6...(14) HB3 GLU 49 - QD1 LEU 23 OK 25 100 - 25 - 1608/2.1=4, 1594/3.1=3...(12) HG2 GLU 49 - QD1 LEU 23 OK 22 100 - 22 - 1608/2.1=3, 1594/3.1=3...(9) HE3 LYS 68 - QD1 LEU 23 OK 17 60 - 28 - 1.8/3098=4, 3.7/3058=3...(12) HB2 GLU 25 - QD1 LEU 23 OK 14 76 - 19 - 4.1/4504=3, 79/5.0=3...(6) HG3 GLN 55 - QD1 LEU 23 OK 13 78 - 16 - 3.5/5203=2, 1608/2.1=2...(5) HB2 GLN 55 - QD1 LEU 23 OK 12 81 - 15 - 1608/2.1=2, 4.5/5203=1...(4) HG2 PRO 84 - QD1 LEU 23 lone 4 83 - 5 - HB2 LEU 34 - QD1 LEU 23 lone 4 81 - 5 - Peak 1616 from cnoeabs.peaks (1.26, 0.79, 22.27 ppm; 3.12 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 23 + QD1 LEU 23 OK 99 100 - 99 - 3.1=99, 3.0/1614=11...(12) HB2 LEU 79 + QD1 LEU 23 OK 63 99 - 64 - 3390=10, 1.8/3397=9...(28) HG3 LYS 65 - QD1 LEU 23 OK 17 100 - 17 - 1609/2.1=2, 3.0/4479=2...(4) HG3 LYS 17 - QD1 LEU 23 OK 16 97 - 16 - 1609/2.1=2, 1588/3.1=2...(6) HG2 LYS 17 - QD1 LEU 23 OK 12 81 - 15 - 1609/2.1=2, ~1609=2, 1588/3.1=1 HG3 LYS 56 - QD1 LEU 23 poor 9 83 - 11 - 1609/2.1=1, 1588/3.1=1 HG13 ILE 35 - QD1 LEU 23 lone 2 57 - 4 - Peak 1617 from cnoeabs.peaks (1.61, 0.79, 22.27 ppm; 3.02 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 23 + QD1 LEU 23 OK 100 100 - 100 - 2.1=100 HG LEU 73 + QD1 LEU 23 OK 45 99 - 46 - 2.1/3201=6, 3.7/1614=4...(23) HB2 LYS 68 - QD1 LEU 23 OK 34 99 - 34 - 1.8/3048=4, 3038=3...(15) HG LEU 87 - QD1 LEU 23 OK 24 100 - 24 - 2.1/1618=3, 1610/2.1=2...(6) HG LEU 85 - QD1 LEU 23 OK 23 99 - 23 - 1610/2.1=2, 2.1/1618=2...(5) HB2 LEU 87 - QD1 LEU 23 OK 21 96 - 22 - 1610/2.1=2, 3.1/1618=2...(5) HB3 LEU 85 - QD1 LEU 23 OK 18 83 - 21 - 1610/2.1=2, 3.1/1618=2...(5) HB2 LEU 12 - QD1 LEU 23 lone 9 96 - 9 - HD3 LYS 91 - QD1 LEU 23 lone 3 68 - 4 - 6.0/3857=1 HD2 LYS 91 - QD1 LEU 23 lone 3 65 - 4 - 6.0/3857=1 HD2 LYS 14 - QD1 LEU 23 lone 1 65 - 2 - HD3 LYS 14 - QD1 LEU 23 lone 1 63 - 2 - Peak 1618 from cnoeabs.peaks (0.91, 0.79, 22.27 ppm; 2.48 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 23 + QD1 LEU 23 OK 100 100 - 100 - 2.1=100 HB3 LEU 30 - QD1 LEU 23 OK 26 92 - 28 - 4582/4481=3, 1.8/1888=2...(9) HD3 LYS 26 - QD1 LEU 23 OK 13 92 - 14 - 4525/3.9=2, 1597/3.1=2...(5) QD1 LEU 87 - QD1 LEU 23 OK 12 83 - 15 - 2.1/1617=2, 1597/3.1=1...(4) QD1 LEU 85 - QD1 LEU 23 OK 10 76 - 14 - 2.1/1617=2, 1597/3.1=1 QG2 VAL 52 - QD1 LEU 23 lone 4 68 - 6 - 5105/5874=1 Peak 1619 from cnoeabs.peaks (0.79, 0.79, 22.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 23 + QD1 LEU 23 OK 100 100 - 100 Peak 1620 from cnoeabs.peaks (7.74, 4.63, 54.70 ppm; 4.26 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 24 + HA ASN 24 OK 100 100 - 100 - 2.9=100 H LYS 91 - HA ASN 24 poor 10 68 - 14 - 3852/4.8=2, 84/3.6=2...(6) H ASN 24 - HA LYS 31 lone 4 57 - 7 - H LYS 91 - HA LYS 31 poor 4 32 - 11 - 943/3.0=2, 944/3.0=2...(4) Peak 1621 from cnoeabs.peaks (4.63, 4.63, 54.70 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA ASN 24 + HA ASN 24 OK 100 100 - 100 HA LYS 31 - HA LYS 31 OK 26 26 - 100 Peak 1622 from cnoeabs.peaks (2.92, 4.63, 54.70 ppm; 3.44 A): 2 out of 12 assignments used, quality = 1.00: * HB2 ASN 24 + HA ASN 24 OK 100 100 - 100 - 3.0=100 HB2 ASN 63 + HA ASN 24 OK 57 99 - 59 - 2806=13, 1.8/2812=9...(19) HB3 PHE 80 - HA ASN 24 OK 22 96 - 23 - 593/2.9=3, 3431/4.4=3...(11) HE2 LYS 14 - HA ASN 24 lone 5 98 - 5 - HE3 LYS 14 - HA ASN 24 lone 5 96 - 5 - HB2 ASP 53 - HA ASN 24 lone 4 71 - 6 - HB2 ASN 24 - HA LYS 31 lone 3 57 - 6 - HB2 ASP 53 - HA LYS 31 lone 2 33 - 6 - ~126=1, ~3891=1, ~4599=1 HB2 ASN 63 - HA LYS 31 lone 2 54 - 3 - HB3 PHE 80 - HA LYS 31 lone 1 50 - 2 - HE2 LYS 14 - HA LYS 31 lone 0 53 - 1 - HE3 LYS 14 - HA LYS 31 lone 0 50 - 1 - Peak 1623 from cnoeabs.peaks (2.86, 4.63, 54.70 ppm; 3.55 A): 2 out of 20 assignments used, quality = 1.00: * HB3 ASN 24 + HA ASN 24 OK 100 100 - 100 - 3.0=100 HB3 ASN 63 + HA ASN 24 OK 60 100 - 61 - 2812=13, 1.8/1622=11...(19) HB3 ASN 18 - HA ASN 24 OK 33 100 - 33 - 1632/2.9=4, 1629/3.0=3...(12) HB2 ASN 18 - HA ASN 24 OK 33 100 - 33 - 1632/2.9=4, 1629/3.0=3...(12) HB3 TYR 32 - HA LYS 31 OK 29 57 - 51 - 2020/3.6=23, 2.5/4603=9...(10) HB3 TYR 32 - HA ASN 24 OK 14 100 - 13 - 594/2.9=1, 1.8/4634=1...(5) HE3 LYS 17 - HA ASN 24 lone 7 100 - 7 - 594/2.9=1 HE2 LYS 17 - HA ASN 24 lone 6 97 - 6 - 594/2.9=1 HB2 ASN 90 - HA ASN 24 lone 6 71 - 8 - 4.6/1620=1, ~4140=1, 4139/2.9=1 HB3 ASN 24 - HA LYS 31 lone 4 57 - 7 - 652/3.6=1 HE3 LYS 17 - HA LYS 31 lone 4 57 - 7 - 652/3.6=2 HE2 LYS 17 - HA LYS 31 lone 3 51 - 7 - 652/3.6=2 HE2 LYS 65 - HA ASN 24 lone 3 73 - 4 - HB3 ASN 63 - HA LYS 31 lone 3 56 - 5 - 652/3.6=1 HE3 LYS 65 - HA ASN 24 lone 2 63 - 4 - HB2 ASN 18 - HA LYS 31 lone 2 57 - 3 - 652/3.6=1 HB3 ASN 18 - HA LYS 31 lone 2 56 - 3 - 652/3.6=1 HE2 LYS 65 - HA LYS 31 lone 1 35 - 2 - HE3 LYS 65 - HA LYS 31 lone 0 29 - 2 - HB2 ASN 90 - HA LYS 31 lone 0 33 - 1 - Peak 1624 from cnoeabs.peaks (7.87, 4.63, 54.70 ppm; 4.81 A): 1 out of 8 assignments used, quality = 1.00: * HD21 ASN 24 + HA ASN 24 OK 100 100 - 100 - 4.4=100 H LEU 12 - HA ASN 24 OK 26 93 - 28 - 1630/3.0=4, 522=3...(12) H PHE 80 - HA ASN 24 OK 25 99 - 26 - 1630/3.0=6, 5882/4.8=6...(6) H LYS 65 - HA ASN 24 OK 14 71 - 20 - 4.6/285=4, 5452=4...(6) HD21 ASN 24 - HA LYS 31 poor 7 57 - 11 - 4499/3.0=2, 447=1...(4) H LEU 12 - HA LYS 31 lone 4 48 - 9 - 522=1 H PHE 80 - HA LYS 31 lone 1 55 - 3 - H LYS 65 - HA LYS 31 lone 1 33 - 4 - Peak 1626 from cnoeabs.peaks (7.74, 2.92, 38.33 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 24 + HB2 ASN 24 OK 100 100 - 100 - 3.7=100 H LYS 91 - HB2 ASN 24 lone 7 68 - 9 - 1620/3.0=2, 446/3.5=2...(5) H ASN 24 - HB2 ASP 53 lone 4 60 - 7 - 593=1 H LYS 91 - HB2 ASP 53 lone 0 34 - 1 - Peak 1627 from cnoeabs.peaks (4.63, 2.92, 38.33 ppm; 3.98 A): 2 out of 22 assignments used, quality = 1.00: * HA ASN 24 + HB2 ASN 24 OK 100 100 - 100 - 3.0=100 HA ASN 63 + HB2 ASN 24 OK 72 100 - 73 - 2801=15, 3.0/2813=11...(25) HA LEU 12 - HB2 ASN 24 OK 19 83 - 22 - 1159/3.5=3, 3.0/1630=3...(12) HA ARG 27 - HB2 ASN 24 OK 13 97 - 14 - 85/4.6=4, 592/3.7=2...(4) HA GLU 33 - HB2 ASN 24 lone 8 100 - 8 - ~145=1 HA THR 38 - HB2 ASN 24 lone 6 92 - 7 - 3.2/4788=1, 592/3.7=1 HA ASN 24 - HB2 ASP 53 lone 5 60 - 8 - 2.9/1626=1, 1622=1, 4.4/1631=1 HA PHE 57 - HB2 ASP 53 poor 5 36 - 14 - ~3983=3, 2699/4.6=2...(9) HA LYS 31 - HB2 ASN 24 lone 5 57 - 8 - HA ASN 63 - HB2 ASP 53 lone 5 59 - 7 - 2801=1 HA ASP 43 - HB2 ASN 24 lone 4 78 - 5 - HA ASP 82 - HB2 ASN 24 lone 3 97 - 4 - HA HIS 42 - HB2 ASN 24 lone 3 100 - 3 - HA PHE 57 - HB2 ASN 24 lone 3 71 - 4 - HA LYS 31 - HB2 ASP 53 lone 3 28 - 9 - ~126=2, ~3891=2, ~4599=2 HA GLU 33 - HB2 ASP 53 lone 2 59 - 3 - 3911/4.6=2 HA ARG 27 - HB2 ASP 53 lone 1 56 - 2 - HA LEU 12 - HB2 ASP 53 lone 1 43 - 2 - HA ASP 82 - HB2 ASP 53 lone 1 56 - 1 - HA THR 38 - HB2 ASP 53 lone 1 50 - 1 - HA HIS 42 - HB2 ASP 53 lone 1 59 - 1 - HA ASP 43 - HB2 ASP 53 lone 0 40 - 1 - Peak 1628 from cnoeabs.peaks (2.92, 2.92, 38.33 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 24 + HB2 ASN 24 OK 100 100 - 100 HB2 ASP 53 - HB2 ASP 53 OK 36 36 - 100 Peak 1629 from cnoeabs.peaks (2.86, 2.92, 38.33 ppm; 2.69 A): 1 out of 20 assignments used, quality = 1.00: * HB3 ASN 24 + HB2 ASN 24 OK 100 100 - 100 - 1.8=100 HB3 ASN 63 - HB2 ASN 24 OK 45 100 - 46 - 2813=12, 2812/3.0=4...(19) HB2 ASN 18 - HB2 ASN 24 OK 19 100 - 19 - 1637/3.5=2, 449/3.5=2...(6) HB3 ASN 18 - HB2 ASN 24 OK 19 100 - 19 - 1637/3.5=2, 449/3.5=2...(6) HB3 TYR 32 - HB2 ASN 24 lone 7 100 - 7 - HE3 LYS 17 - HB2 ASN 24 lone 3 100 - 3 - HE2 LYS 17 - HB2 ASN 24 lone 3 97 - 3 - HB3 ASN 24 - HB2 ASP 53 lone 2 60 - 4 - HB2 ASN 90 - HB2 ASN 24 lone 2 71 - 3 - HB3 ASN 63 - HB2 ASP 53 lone 2 59 - 3 - HE2 LYS 65 - HB2 ASN 24 lone 2 73 - 2 - HE3 LYS 65 - HB2 ASN 24 lone 1 63 - 2 - HB3 TYR 32 - HB2 ASP 53 lone 1 60 - 1 - HE2 LYS 65 - HB2 ASP 53 lone 0 37 - 1 - HB2 ASN 18 - HB2 ASP 53 lone 0 60 - 1 - HB3 ASN 18 - HB2 ASP 53 lone 0 60 - 1 - HE3 LYS 65 - HB2 ASP 53 lone 0 31 - 1 - HE3 LYS 17 - HB2 ASP 53 lone 0 60 - 0 - HE2 LYS 17 - HB2 ASP 53 lone 0 55 - 0 - HB2 ASN 90 - HB2 ASP 53 lone 0 36 - 0 - Peak 1630 from cnoeabs.peaks (7.87, 2.92, 38.33 ppm; 4.42 A): 1 out of 8 assignments used, quality = 1.00: * HD21 ASN 24 + HB2 ASN 24 OK 100 100 - 100 - 3.5=100 H PHE 80 - HB2 ASN 24 OK 32 99 - 32 - 900=6, 3.0/3422=5...(10) H LEU 12 - HB2 ASN 24 OK 20 93 - 21 - 1624/3.0=4, 1636/1.8=3...(8) H LYS 65 - HB2 ASN 24 OK 12 71 - 17 - 4.6/286=5, 5452/3.0=2...(4) HD21 ASN 24 - HB2 ASP 53 poor 6 60 - 10 - 1.7/1631=2, 448=1 H PHE 80 - HB2 ASP 53 lone 6 58 - 10 - 900=2, 3.0/3422=1...(5) H LYS 65 - HB2 ASP 53 lone 2 36 - 5 - H LEU 12 - HB2 ASP 53 lone 2 51 - 3 - Peak 1631 from cnoeabs.peaks (6.98, 2.92, 38.33 ppm; 4.85 A): 1 out of 4 assignments used, quality = 1.00: * HD22 ASN 24 + HB2 ASN 24 OK 100 100 - 100 - 3.5=100 HD22 ASN 24 - HB2 ASP 53 poor 6 60 - 10 - 1.7/1630=2, 454=1 HD2 HIS 10 - HB2 ASN 24 lone 2 65 - 3 - HD2 HIS 10 - HB2 ASP 53 lone 0 32 - 1 - Peak 1632 from cnoeabs.peaks (7.74, 2.86, 38.33 ppm; 3.72 A): 1 out of 8 assignments used, quality = 1.00: * H ASN 24 + HB3 ASN 24 OK 100 100 - 100 - 3.7=100 H ASN 24 - HB2 ASN 18 OK 26 90 - 29 - 594=5, 594/1.8=5...(11) H ASN 24 - HB3 ASN 18 OK 26 90 - 29 - 594=5, 594/1.8=5...(11) H LYS 91 - HB2 ASN 90 OK 16 29 - 57 - 4.6=52, 1018/4.0=9 H LYS 91 - HB3 ASN 24 poor 8 68 - 11 - 1626/1.8=2, 1620/3.0=2...(5) H ASN 24 - HB2 ASN 90 poor 6 52 - 11 - 77/4.0=4, 6135/3.0=2, 594=2 H LYS 91 - HB2 ASN 18 lone 2 56 - 3 - H LYS 91 - HB3 ASN 18 lone 2 55 - 3 - Peak 1633 from cnoeabs.peaks (4.63, 2.86, 38.33 ppm; 3.90 A): 2 out of 44 assignments used, quality = 1.00: * HA ASN 24 + HB3 ASN 24 OK 100 100 - 100 - 3.0=100 HA ASN 63 + HB3 ASN 24 OK 70 100 - 71 - 2802=13, 2801/1.8=12...(26) HA ASN 24 - HB2 ASN 18 OK 37 90 - 41 - 1623=5, 1623/1.8=4...(16) HA ASN 24 - HB3 ASN 18 OK 37 90 - 41 - 1623=5, 1623/1.8=4...(16) HA ASN 63 - HB2 ASN 18 OK 22 89 - 25 - 2802=4, 2802/1.8=3...(11) HA ASN 63 - HB3 ASN 18 OK 22 89 - 25 - 2802=4, 2802/1.8=3...(11) HA LEU 12 - HB3 ASN 24 OK 20 83 - 25 - 4.0/4274=3, 1159/3.5=3...(13) HA ARG 27 - HB3 ASN 24 OK 14 97 - 14 - 85/4.6=3, 1627/1.8=2...(4) HA LEU 12 - HB2 ASN 18 OK 13 69 - 19 - 4.0/4274=5, 4345/4.8=5...(5) HA LEU 12 - HB3 ASN 18 OK 13 69 - 19 - 4.0/4274=5, 4345/4.8=5...(5) HA GLU 33 - HB2 ASN 18 OK 11 89 - 12 - 3911/3.9=3, 2.9/145=2...(4) HA GLU 33 - HB3 ASN 18 OK 11 89 - 12 - 3911/3.9=3, 2.9/145=2...(4) HA GLU 33 - HB3 ASN 24 lone 10 100 - 10 - 2.9/145=2, 1627/1.8=1 HA THR 38 - HB3 ASN 24 lone 7 92 - 7 - HA PHE 57 - HB2 ASN 18 lone 6 58 - 10 - 2699/3.9=2, ~1419=2, ~561=1 HA PHE 57 - HB3 ASN 18 lone 6 58 - 10 - 2699/3.9=2, ~1419=2, ~561=1 HA LYS 31 - HB3 ASN 24 lone 5 57 - 9 - 3.6/652=2 HA ASN 24 - HB2 ASN 90 lone 5 52 - 10 - 1620/4.6=2, ~4140=1...(4) HA THR 38 - HB2 ASN 18 lone 5 78 - 6 - 4345/4.8=3, 4347/4.8=2 HA THR 38 - HB3 ASN 18 lone 5 78 - 6 - 4345/4.8=3, 4347/4.8=2 HA ASP 43 - HB3 ASN 24 lone 4 78 - 5 - HA ASP 82 - HB2 ASN 18 lone 4 85 - 5 - 4347/4.8=1, 4345/4.8=1 HA ASP 82 - HB3 ASN 18 lone 4 85 - 5 - 4347/4.8=1, 4345/4.8=1 HA ASP 82 - HB3 ASN 24 lone 4 97 - 4 - HA HIS 42 - HB3 ASN 24 lone 3 100 - 3 - HA PHE 57 - HB2 ASN 90 lone 3 30 - 9 - 6070/3.5=1 HA ASP 43 - HB2 ASN 18 lone 3 65 - 4 - HA ASP 43 - HB3 ASN 18 lone 3 65 - 4 - HA PHE 57 - HB3 ASN 24 lone 2 71 - 3 - HA ARG 27 - HB2 ASN 18 lone 2 85 - 3 - HA ARG 27 - HB3 ASN 18 lone 2 85 - 3 - HA LYS 31 - HB2 ASN 18 lone 2 46 - 4 - 3.6/652=2 HA LYS 31 - HB3 ASN 18 lone 2 46 - 4 - 3.6/652=1 HA HIS 42 - HB2 ASN 18 lone 2 89 - 2 - HA HIS 42 - HB3 ASN 18 lone 2 89 - 2 - HA GLU 33 - HB2 ASN 90 lone 1 51 - 2 - HA ASP 82 - HB2 ASN 90 lone 1 48 - 1 - HA ARG 27 - HB2 ASN 90 lone 1 48 - 1 - HA ASN 63 - HB2 ASN 90 lone 1 51 - 1 - HA THR 38 - HB2 ASN 90 lone 1 43 - 1 - HA HIS 42 - HB2 ASN 90 lone 1 51 - 1 - HA LEU 12 - HB2 ASN 90 lone 0 37 - 1 - HA LYS 31 - HB2 ASN 90 lone 0 24 - 2 - HA ASP 43 - HB2 ASN 90 lone 0 34 - 1 - Peak 1634 from cnoeabs.peaks (2.92, 2.86, 38.33 ppm; 2.62 A): 1 out of 24 assignments used, quality = 1.00: * HB2 ASN 24 + HB3 ASN 24 OK 100 100 - 100 - 1.8=100 HB2 ASN 63 - HB3 ASN 24 OK 41 99 - 43 - 2808=10, 1622/3.0=4...(19) HB2 ASN 24 - HB2 ASN 18 OK 16 90 - 18 - 3.5/1637=2, 3.5/449=2...(6) HB2 ASN 24 - HB3 ASN 18 OK 16 90 - 18 - 3.5/1637=2, 3.5/449=2...(6) HB3 PHE 80 - HB3 ASN 24 OK 15 96 - 15 - 3431/3.5=2, ~3428=2...(8) HB2 ASN 63 - HB2 ASN 18 OK 10 87 - 11 - 2808=3, 2808/1.8=2...(4) HB2 ASN 63 - HB3 ASN 18 poor 10 87 - 11 - 2808=3, 2808/1.8=2...(4) HE2 LYS 14 - HB3 ASN 24 lone 3 98 - 3 - HE3 LYS 14 - HB3 ASN 24 lone 3 96 - 3 - HB2 ASP 53 - HB3 ASN 24 lone 3 71 - 3 - HB2 ASN 24 - HB2 ASN 90 lone 2 52 - 3 - HB3 PHE 80 - HB2 ASN 18 lone 1 83 - 1 - HB3 PHE 80 - HB3 ASN 18 lone 1 82 - 1 - HE2 LYS 14 - HB2 ASN 18 lone 0 86 - 1 - HE2 LYS 14 - HB3 ASN 18 lone 0 86 - 1 - HE3 LYS 14 - HB2 ASN 18 lone 0 83 - 1 - HE3 LYS 14 - HB3 ASN 18 lone 0 82 - 1 - HB2 ASP 53 - HB2 ASN 18 lone 0 58 - 1 - HB2 ASP 53 - HB3 ASN 18 lone 0 58 - 1 - HB2 ASN 63 - HB2 ASN 90 lone 0 50 - 0 - HB3 PHE 80 - HB2 ASN 90 lone 0 46 - 0 - HE2 LYS 14 - HB2 ASN 90 lone 0 49 - 0 - HE3 LYS 14 - HB2 ASN 90 lone 0 46 - 0 - HB2 ASP 53 - HB2 ASN 90 lone 0 30 - 0 - Peak 1635 from cnoeabs.peaks (2.86, 2.86, 38.33 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HB3 ASN 24 + HB3 ASN 24 OK 100 100 - 100 HB2 ASN 18 + HB2 ASN 18 OK 90 90 - 100 HB3 ASN 18 + HB3 ASN 18 OK 89 89 - 100 HB2 ASN 90 - HB2 ASN 90 OK 30 30 - 100 Peak 1636 from cnoeabs.peaks (7.87, 2.86, 38.33 ppm; 4.25 A): 1 out of 16 assignments used, quality = 1.00: * HD21 ASN 24 + HB3 ASN 24 OK 100 100 - 100 - 3.5=100 HD21 ASN 24 - HB2 ASN 18 OK 41 90 - 46 - 1.7/1637=7, 449=7...(15) HD21 ASN 24 - HB3 ASN 18 OK 41 90 - 46 - 1.7/1637=7, 449=7...(15) H PHE 80 - HB3 ASN 24 OK 22 99 - 23 - 1630/1.8=6, 1624/3.0=4...(6) H LEU 12 - HB3 ASN 24 OK 21 93 - 22 - 1630/1.8=4, 1624/3.0=4...(9) H LYS 65 - HB3 ASN 24 OK 11 71 - 16 - 4.6/287=4, 1630/1.8=2...(4) H LEU 12 - HB2 ASN 18 poor 9 80 - 11 - 4.6/4274=6, 4.6/4336=1 H LEU 12 - HB3 ASN 18 poor 9 80 - 11 - 4.6/4274=6, 4.6/4336=1 H PHE 80 - HB2 ASN 18 lone 8 88 - 9 - 380/4.8=4 H PHE 80 - HB3 ASN 18 lone 8 87 - 9 - 380/4.8=4 H LYS 65 - HB3 ASN 18 lone 5 58 - 8 - H LYS 65 - HB2 ASN 18 lone 5 58 - 8 - HD21 ASN 24 - HB2 ASN 90 lone 4 52 - 7 - 446/4.6=2 H PHE 80 - HB2 ASN 90 lone 1 50 - 1 - H LEU 12 - HB2 ASN 90 lone 1 44 - 1 - H LYS 65 - HB2 ASN 90 lone 0 30 - 1 - Peak 1637 from cnoeabs.peaks (6.98, 2.86, 38.33 ppm; 4.84 A): 3 out of 8 assignments used, quality = 1.00: * HD22 ASN 24 + HB3 ASN 24 OK 100 100 - 100 - 3.5=100 HD22 ASN 24 + HB2 ASN 18 OK 46 90 - 52 - 455=7, 455/1.8=7...(22) HD22 ASN 24 + HB3 ASN 18 OK 46 90 - 52 - 455=7, 455/1.8=7...(22) HD22 ASN 24 - HB2 ASN 90 lone 5 52 - 9 - 452/4.6=2 HD2 HIS 10 - HB3 ASN 24 lone 2 65 - 3 - HD2 HIS 10 - HB2 ASN 18 lone 1 53 - 2 - HD2 HIS 10 - HB3 ASN 18 lone 1 53 - 2 - HD2 HIS 10 - HB2 ASN 90 lone 0 28 - 1 - Peak 1638 from cnoeabs.peaks (7.36, 3.97, 57.78 ppm; 3.26 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 25 + HA GLU 25 OK 100 100 - 100 - 3.0=100 H ALA 75 + HA GLU 25 OK 45 100 - 46 - 1086=9, 1644/3.0=7...(15) QE PHE 46 - HA GLU 25 lone 5 81 - 6 - 90/3.6=1 Peak 1639 from cnoeabs.peaks (3.97, 3.97, 57.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 25 + HA GLU 25 OK 100 100 - 100 Peak 1640 from cnoeabs.peaks (1.99, 3.97, 57.78 ppm; 3.00 A): 1 out of 12 assignments used, quality = 1.00: * HB2 GLU 25 + HA GLU 25 OK 100 100 - 100 - 3.0=100 HB3 PRO 19 - HA GLU 25 OK 23 98 - 24 - 599/3.0=2, 1465=2...(14) HB2 PRO 19 - HA GLU 25 OK 22 95 - 23 - 599/3.0=2, 1465=2...(13) HE3 LYS 68 - HA GLU 25 OK 18 99 - 18 - 1.8/1642=3, 92/3.6=2...(9) HB2 LEU 23 - HA GLU 25 OK 15 76 - 20 - 3.9/1029=4, 599/3.0=3...(8) HB2 LYS 78 - HA GLU 25 lone 10 100 - 10 - 4.4/4512=1, 599/3.0=1 HB2 LEU 34 - HA GLU 25 lone 5 100 - 5 - 92/3.6=1 HG2 PRO 84 - HA GLU 25 lone 3 100 - 3 - HB3 GLU 49 - HA GLU 25 lone 2 71 - 3 - HB3 PRO 81 - HA GLU 25 lone 2 76 - 2 - HG2 GLU 49 - HA GLU 25 lone 2 76 - 2 - HB2 GLU 51 - HA GLU 25 lone 1 71 - 1 - Peak 1641 from cnoeabs.peaks (2.10, 3.97, 57.78 ppm; 3.23 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 25 + HA GLU 25 OK 100 100 - 100 - 3.0=100 HB3 GLU 77 - HA GLU 25 OK 38 63 - 61 - 3.0/1642=9, 3.0/1643=8...(28) HG3 GLU 22 - HA GLU 25 OK 29 76 - 39 - 3.0/4144=6, 1.8/4456=5...(17) HG2 GLU 22 - HA GLU 25 OK 23 63 - 37 - 3.0/4144=6, 3.0/4146=4...(16) Peak 1642 from cnoeabs.peaks (2.22, 3.97, 57.78 ppm; 3.26 A): 3 out of 4 assignments used, quality = 0.94: * HG2 GLU 25 + HA GLU 25 OK 81 100 - 81 - 4.0=53, 1.8/1643=15...(12) HG2 GLU 77 + HA GLU 25 OK 61 100 - 61 - 1.8/1643=11, 1648/3.0=9...(22) HE2 LYS 68 + HA GLU 25 OK 19 98 - 19 - 1.8/1640=3, 1648/3.0=3...(7) HG2 GLU 33 - HA GLU 25 lone 6 100 - 6 - 601/3.0=1, 1648/3.0=1 Peak 1643 from cnoeabs.peaks (2.44, 3.97, 57.78 ppm; 3.66 A): 2 out of 4 assignments used, quality = 0.98: * HG3 GLU 25 + HA GLU 25 OK 93 100 - 93 - 4.0=75, 1.8/1642=20...(14) HG3 GLU 77 + HA GLU 25 OK 67 95 - 71 - 1.8/1642=15, 602/3.0=11...(22) HG3 MET 21 - HA GLU 25 OK 14 96 - 14 - 602/3.0=4, 1649/3.0=2...(5) HB3 ASP 43 - HA GLU 25 lone 4 99 - 4 - Peak 1644 from cnoeabs.peaks (7.36, 1.99, 29.47 ppm; 3.56 A): 2 out of 3 assignments used, quality = 0.94: * H GLU 25 + HB2 GLU 25 OK 89 100 - 89 - 4.1=66, 600/1.8=23...(14) H ALA 75 + HB2 GLU 25 OK 43 100 - 43 - 1638/3.0=9, 1650/1.8=8...(11) QE PHE 46 - HB2 GLU 25 lone 5 81 - 7 - 1650/1.8=1, 90/4.6=1, 1638/3.0=1 Peak 1645 from cnoeabs.peaks (3.97, 1.99, 29.47 ppm; 3.29 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 25 + HB2 GLU 25 OK 100 100 - 100 - 3.0=100 HA ALA 72 - HB2 GLU 25 OK 23 97 - 24 - 4216/4.1=5, 1651/1.8=3...(11) HA PRO 19 - HB2 GLU 25 OK 19 92 - 21 - 1651/1.8=3, 1453=2...(8) HA ALA 71 - HB2 GLU 25 OK 15 99 - 15 - 4214/4.1=4, 1651/1.8=2...(7) HA3 GLY 16 - HB2 GLU 25 lone 5 100 - 4 - HB3 SER 62 - HB2 GLU 25 lone 4 89 - 4 - Peak 1646 from cnoeabs.peaks (1.99, 1.99, 29.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 25 + HB2 GLU 25 OK 100 100 - 100 Peak 1647 from cnoeabs.peaks (2.10, 1.99, 29.47 ppm; 2.57 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 25 + HB2 GLU 25 OK 100 100 - 100 - 1.8=100 HB3 GLU 77 - HB2 GLU 25 OK 31 63 - 49 - 1652=7, 3.0/1648=5...(25) HG3 GLU 22 - HB2 GLU 25 OK 18 76 - 24 - 4.0/4165=4, 1641/3.0=2...(11) HG2 GLU 22 - HB2 GLU 25 OK 14 63 - 23 - 4.0/4165=4, 1571/1.8=3...(9) Peak 1648 from cnoeabs.peaks (2.22, 1.99, 29.47 ppm; 3.17 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 25 + HB2 GLU 25 OK 100 100 - 100 - 3.0=100 HG2 GLU 77 + HB2 GLU 25 OK 66 100 - 66 - 1.8/1649=11, 1642/3.0=9...(28) HE2 LYS 68 - HB2 GLU 25 OK 24 98 - 24 - 3102=4, 1642/3.0=3...(10) HG2 GLU 33 - HB2 GLU 25 lone 8 100 - 8 - Peak 1649 from cnoeabs.peaks (2.44, 1.99, 29.47 ppm; 3.46 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 25 + HB2 GLU 25 OK 100 100 - 100 - 3.0=100 HG3 GLU 77 + HB2 GLU 25 OK 69 95 - 73 - 1.8/1648=13, 1643/3.0=9...(30) HG3 MET 21 - HB2 GLU 25 OK 13 96 - 14 - 602/4.1=2, 1643/3.0=2...(6) HB3 ASP 43 - HB2 GLU 25 lone 4 99 - 4 - Peak 1650 from cnoeabs.peaks (7.36, 2.10, 29.47 ppm; 3.44 A): 4 out of 6 assignments used, quality = 0.95: * H GLU 25 + HB3 GLU 25 OK 85 100 - 85 - 4.1=60, 1644/1.8=22...(11) H ALA 75 + HB3 GLU 25 OK 39 100 - 39 - 1644/1.8=11, 1638/3.0=8...(10) H GLU 25 + HB3 GLU 77 OK 34 62 - 55 - 600=10, 602/3.0=10...(15) H ALA 75 + HB3 GLU 77 OK 17 61 - 28 - 1087/4.0=7, 5738/4.1=4...(8) QE PHE 46 - HB3 GLU 25 lone 5 81 - 6 - 1644/1.8=1 QE PHE 46 - HB3 GLU 77 lone 1 43 - 3 - 1094/4.0=1 Peak 1651 from cnoeabs.peaks (3.97, 2.10, 29.47 ppm; 3.49 A): 1 out of 12 assignments used, quality = 1.00: * HA GLU 25 + HB3 GLU 25 OK 100 100 - 100 - 3.0=100 HA GLU 25 - HB3 GLU 77 OK 42 62 - 68 - 1642/3.0=10, 1641=10...(32) HA ALA 72 - HB3 GLU 25 OK 24 97 - 25 - 1645/1.8=5, 4216/4.1=5...(10) HA PRO 19 - HB3 GLU 25 OK 22 92 - 24 - 1645/1.8=4, 2.3/1652=3...(8) HA ALA 71 - HB3 GLU 25 OK 16 99 - 16 - 4214/4.1=4, 1645/1.8=3...(6) HA ALA 72 - HB3 GLU 77 poor 8 57 - 14 - ~4201=2, ~1070=1...(5) HA PRO 19 - HB3 GLU 77 poor 6 52 - 12 - 4146/1.8=2, 5820/4.1=2 HA3 GLY 16 - HB3 GLU 25 lone 5 100 - 5 - 1645/1.8=1 HB3 SER 62 - HB3 GLU 25 lone 5 89 - 5 - HA ALA 71 - HB3 GLU 77 lone 4 61 - 7 - ~1063=1 HA3 GLY 16 - HB3 GLU 77 lone 2 62 - 4 - HB3 SER 62 - HB3 GLU 77 lone 1 49 - 2 - Peak 1652 from cnoeabs.peaks (1.99, 2.10, 29.47 ppm; 2.62 A): 1 out of 24 assignments used, quality = 1.00: * HB2 GLU 25 + HB3 GLU 25 OK 100 100 - 100 - 1.8=100 HB2 GLU 25 - HB3 GLU 77 OK 33 62 - 53 - 1647=9, 1648/3.0=5...(25) HB3 PRO 19 - HB3 GLU 25 OK 16 98 - 17 - 1640/3.0=2, 2.3/1651=2...(6) HB2 PRO 19 - HB3 GLU 25 OK 15 95 - 16 - 1640/3.0=2, 2.3/1651=2...(5) HE3 LYS 68 - HB3 GLU 25 OK 14 99 - 14 - 3111/3.0=2, ~1648=2...(8) HB2 LEU 23 - HB3 GLU 25 poor 8 76 - 10 - 3.9/76=2, 599/4.1=2...(4) HB2 LYS 78 - HB3 GLU 25 lone 8 100 - 8 - HB3 PRO 19 - HB3 GLU 77 lone 6 58 - 10 - 882/4.1=1 HB2 LYS 78 - HB3 GLU 77 lone 5 62 - 9 - 3297/4.1=4, ~5818=2 HB2 PRO 19 - HB3 GLU 77 lone 5 54 - 9 - 882/4.1=1 HE3 LYS 68 - HB3 GLU 77 lone 4 61 - 6 - 3111/3.0=1 HB2 LEU 34 - HB3 GLU 25 lone 3 100 - 3 - HB3 PRO 81 - HB3 GLU 77 lone 3 40 - 8 - ~6049=2, ~5918=2 HG2 PRO 84 - HB3 GLU 25 lone 2 100 - 2 - HB2 LEU 23 - HB3 GLU 77 lone 2 40 - 4 - HG2 PRO 84 - HB3 GLU 77 lone 2 62 - 3 - HB3 PRO 81 - HB3 GLU 25 lone 1 76 - 1 - HB3 GLU 49 - HB3 GLU 25 lone 1 71 - 2 - HB2 LEU 34 - HB3 GLU 77 lone 1 62 - 2 - HG2 GLU 49 - HB3 GLU 25 lone 1 76 - 1 - HB2 GLU 51 - HB3 GLU 25 lone 1 71 - 1 - HB2 GLU 51 - HB3 GLU 77 lone 1 37 - 2 - HG2 GLU 49 - HB3 GLU 77 lone 0 40 - 1 - HB3 GLU 49 - HB3 GLU 77 lone 0 37 - 1 - Peak 1653 from cnoeabs.peaks (2.10, 2.10, 29.47 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 25 + HB3 GLU 25 OK 100 100 - 100 HB3 GLU 77 - HB3 GLU 77 OK 32 32 - 100 Peak 1654 from cnoeabs.peaks (2.22, 2.10, 29.47 ppm; 3.12 A): 3 out of 8 assignments used, quality = 1.00: * HG2 GLU 25 + HB3 GLU 25 OK 100 100 - 100 - 3.0=100 HG2 GLU 77 + HB3 GLU 25 OK 63 100 - 63 - 1648/1.8=11, 1642/3.0=8...(27) HG2 GLU 77 + HB3 GLU 77 OK 62 62 - 100 - 3.0=100 HG2 GLU 25 - HB3 GLU 77 OK 39 62 - 62 - 1659=7, 3267/1.8=7...(29) HG2 GLU 33 - HB3 GLU 77 OK 23 62 - 37 - 3267/1.8=5, 3261/3.0=4...(19) HE2 LYS 68 - HB3 GLU 25 OK 20 98 - 20 - 1648/1.8=4, 1642/3.0=3...(9) HG2 GLU 33 - HB3 GLU 25 lone 8 100 - 8 - 1648/1.8=1 HE2 LYS 68 - HB3 GLU 77 poor 7 58 - 12 - 3267/1.8=2, 3261/3.0=1 Peak 1655 from cnoeabs.peaks (2.44, 2.10, 29.47 ppm; 3.41 A): 3 out of 8 assignments used, quality = 1.00: * HG3 GLU 25 + HB3 GLU 25 OK 100 100 - 100 - 3.0=100 HG3 GLU 77 + HB3 GLU 25 OK 66 95 - 70 - 1649/1.8=13, 1643/3.0=9...(28) HG3 GLU 77 + HB3 GLU 77 OK 54 54 - 100 - 3.0=100 HG3 GLU 25 - HB3 GLU 77 OK 42 62 - 68 - 1665=7, 1.8/1659=6...(34) HG3 MET 21 - HB3 GLU 77 OK 21 56 - 38 - 3268/1.8=5, 3262/3.0=4...(19) HG3 MET 21 - HB3 GLU 25 OK 14 96 - 15 - 1649/1.8=2, 602/4.1=2...(5) HB3 ASP 43 - HB3 GLU 25 lone 4 99 - 4 - HB3 ASP 43 - HB3 GLU 77 lone 1 59 - 2 - Peak 1656 from cnoeabs.peaks (7.36, 2.22, 36.17 ppm; 3.73 A): 3 out of 6 assignments used, quality = 0.94: * H GLU 25 + HG2 GLU 25 OK 84 100 - 84 - 5.0=42, 602/1.8=21...(12) H ALA 75 + HG2 GLU 25 OK 41 100 - 41 - 1644/3.0=9, 1662/1.8=8...(9) H GLU 25 + HG2 GLU 77 OK 41 61 - 67 - 601=18, 602/1.8=15...(16) H ALA 75 - HG2 GLU 77 OK 23 60 - 39 - 3.6/5722=9, 1087/5.0=7...(14) QE PHE 46 - HG2 GLU 25 lone 6 81 - 7 - 1644/3.0=1, 1662/1.8=1, 90/4.9=1 QE PHE 46 - HG2 GLU 77 lone 2 42 - 4 - 1094/5.0=1 Peak 1657 from cnoeabs.peaks (3.97, 2.22, 36.17 ppm; 3.53 A): 2 out of 12 assignments used, quality = 0.94: * HA GLU 25 + HG2 GLU 25 OK 89 100 - 89 - 4.0=68, 1643/1.8=18...(12) HA GLU 25 + HG2 GLU 77 OK 42 61 - 70 - 1642=18, 1643/1.8=13...(22) HA ALA 72 - HG2 GLU 25 OK 19 97 - 20 - 4216/5.0=4, 1645/3.0=4...(7) HA PRO 19 - HG2 GLU 25 OK 18 92 - 19 - 1645/3.0=3, 1663/1.8=3...(9) HA ALA 71 - HG2 GLU 25 OK 13 99 - 13 - 4214/5.0=4, 1645/3.0=3...(5) HA ALA 72 - HG2 GLU 77 poor 7 55 - 12 - 4216/601=1, 5679/3.0=1 HA PRO 19 - HG2 GLU 77 poor 5 50 - 11 - 5820/4.9=1, 4146/3.0=1 HA3 GLY 16 - HG2 GLU 25 lone 5 100 - 5 - HA ALA 71 - HG2 GLU 77 lone 4 59 - 6 - HB3 SER 62 - HG2 GLU 25 lone 3 89 - 4 - HA3 GLY 16 - HG2 GLU 77 lone 3 61 - 4 - HB3 SER 62 - HG2 GLU 77 lone 1 48 - 2 - Peak 1658 from cnoeabs.peaks (1.99, 2.22, 36.17 ppm; 3.06 A): 1 out of 24 assignments used, quality = 1.00: * HB2 GLU 25 + HG2 GLU 25 OK 100 100 - 100 - 3.0=100 HB2 GLU 25 - HG2 GLU 77 OK 40 61 - 66 - 1648=15, 1649/1.8=10...(28) HE3 LYS 68 - HG2 GLU 25 OK 23 99 - 23 - 3111=5, 1664/1.8=2...(13) HB3 PRO 19 - HG2 GLU 25 OK 17 98 - 18 - 1664/1.8=2, 2.3/1657=2...(8) HB2 PRO 19 - HG2 GLU 25 OK 16 95 - 17 - 1664/1.8=2, 2.3/1657=2...(7) HB2 LYS 78 - HG2 GLU 25 OK 11 100 - 11 - 4.0/367=3, 3.0/5818=2 HB2 LYS 78 - HG2 GLU 77 poor 10 61 - 16 - 3297/4.9=5, 3.0/5818=4...(6) HE3 LYS 68 - HG2 GLU 77 poor 10 59 - 16 - 3111=3, 3.7/3071=1...(5) HB2 LEU 23 - HG2 GLU 25 poor 9 76 - 12 - 599/5.0=2, 92/4.9=2...(4) HB3 PRO 19 - HG2 GLU 77 poor 6 57 - 11 - 882/4.9=1 HB2 PRO 19 - HG2 GLU 77 poor 6 53 - 11 - 882/4.9=1 HB2 LEU 34 - HG2 GLU 25 lone 5 100 - 5 - HG2 PRO 84 - HG2 GLU 25 lone 3 100 - 3 - HB2 LEU 23 - HG2 GLU 77 lone 3 39 - 7 - HB2 LEU 34 - HG2 GLU 77 lone 3 60 - 4 - 4.0/152=2 HG2 PRO 84 - HG2 GLU 77 lone 2 60 - 3 - HB3 PRO 81 - HG2 GLU 77 lone 2 39 - 5 - HG2 GLU 49 - HG2 GLU 25 lone 2 76 - 2 - HB3 GLU 49 - HG2 GLU 25 lone 2 71 - 2 - HB3 PRO 81 - HG2 GLU 25 lone 2 76 - 2 - HG2 GLU 49 - HG2 GLU 77 lone 1 39 - 2 - HB2 GLU 51 - HG2 GLU 25 lone 1 71 - 1 - HB3 GLU 49 - HG2 GLU 77 lone 1 36 - 2 - HB2 GLU 51 - HG2 GLU 77 lone 1 36 - 2 - Peak 1659 from cnoeabs.peaks (2.10, 2.22, 36.17 ppm; 2.80 A): 3 out of 8 assignments used, quality = 0.95: * HB3 GLU 25 + HG2 GLU 25 OK 88 100 - 88 - 3.0=81, 1665/1.8=13...(8) HB3 GLU 25 + HG2 GLU 77 OK 33 61 - 54 - 1.8/1648=9, 1654=7...(20) HB3 GLU 77 + HG2 GLU 25 OK 32 63 - 52 - 1.8/3267=5, 3.0/3261=5...(23) HB3 GLU 77 - HG2 GLU 77 OK 27 31 - 86 - 3.0=81, 3.0/3261=8...(8) HG3 GLU 22 - HG2 GLU 25 OK 15 76 - 19 - 1647/3.0=3, 1665/1.8=2...(8) HG2 GLU 22 - HG2 GLU 25 OK 11 63 - 18 - 1571/3.0=2, 1647/3.0=2...(9) HG3 GLU 22 - HG2 GLU 77 poor 8 39 - 20 - 1576/3.0=3, 1573/3.7=2...(7) HG2 GLU 22 - HG2 GLU 77 poor 6 31 - 20 - 3.0/3267=2, 1567/3.7=2...(7) Peak 1660 from cnoeabs.peaks (2.22, 2.22, 36.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 25 + HG2 GLU 25 OK 100 100 - 100 HG2 GLU 77 + HG2 GLU 77 OK 60 60 - 100 Peak 1661 from cnoeabs.peaks (2.44, 2.22, 36.17 ppm; 2.40 A): 2 out of 8 assignments used, quality = 1.00: * HG3 GLU 25 + HG2 GLU 25 OK 100 100 - 100 - 1.8=100 HG3 GLU 77 + HG2 GLU 77 OK 53 53 - 100 - 1.8=100 HG3 GLU 77 - HG2 GLU 25 OK 36 95 - 38 - 3285=7, 1649/3.0=4...(17) HG3 GLU 25 - HG2 GLU 77 OK 23 61 - 38 - 1666=8, 3.0/1648=4...(16) HG3 MET 21 - HG2 GLU 77 OK 10 54 - 19 - ~1532=3, ~1525=2...(8) HG3 MET 21 - HG2 GLU 25 lone 7 96 - 7 - HB3 ASP 43 - HG2 GLU 25 lone 2 99 - 2 - HB3 ASP 43 - HG2 GLU 77 lone 1 58 - 1 - Peak 1662 from cnoeabs.peaks (7.36, 2.44, 36.17 ppm; 3.62 A): 4 out of 6 assignments used, quality = 0.94: * H GLU 25 + HG3 GLU 25 OK 82 100 - 82 - 5.0=39, 601/1.8=18...(10) H ALA 75 + HG3 GLU 25 OK 39 100 - 39 - 1644/3.0=9, 1656/1.8=7...(9) H GLU 25 + HG3 GLU 77 OK 35 53 - 67 - 602=18, 601/1.8=14...(18) H ALA 75 + HG3 GLU 77 OK 18 52 - 35 - 3.6/5723=6, 1087/5.0=6...(11) QE PHE 46 - HG3 GLU 25 lone 5 81 - 6 - 1644/3.0=1, 1656/1.8=1 QE PHE 46 - HG3 GLU 77 lone 1 36 - 4 - 1094/5.0=1 Peak 1663 from cnoeabs.peaks (3.97, 2.44, 36.17 ppm; 3.81 A): 1 out of 12 assignments used, quality = 0.96: * HA GLU 25 + HG3 GLU 25 OK 96 100 - 96 - 4.0=85, 1642/1.8=21...(14) HA GLU 25 - HG3 GLU 77 OK 40 53 - 76 - 1643=19, 1642/1.8=16...(24) HA ALA 72 - HG3 GLU 25 OK 22 97 - 23 - 4216/5.0=5, 1645/3.0=5...(8) HA PRO 19 - HG3 GLU 25 OK 21 92 - 23 - 1645/3.0=4, 1657/1.8=3...(9) HA ALA 71 - HG3 GLU 25 OK 15 99 - 16 - 4214/5.0=4, 1645/3.0=3...(6) HA ALA 72 - HG3 GLU 77 poor 7 48 - 14 - 4216/602=1, 1657/1.8=1...(5) HA PRO 19 - HG3 GLU 77 poor 6 44 - 13 - 5820/4.9=2, 4146/3.0=2 HA3 GLY 16 - HG3 GLU 25 lone 5 100 - 5 - HB3 SER 62 - HG3 GLU 25 lone 4 89 - 4 - HA ALA 71 - HG3 GLU 77 lone 4 51 - 7 - 4214/602=1 HA3 GLY 16 - HG3 GLU 77 lone 2 53 - 4 - HB3 SER 62 - HG3 GLU 77 lone 1 42 - 3 - Peak 1664 from cnoeabs.peaks (1.99, 2.44, 36.17 ppm; 3.24 A): 1 out of 24 assignments used, quality = 1.00: * HB2 GLU 25 + HG3 GLU 25 OK 100 100 - 100 - 3.0=100 HB2 GLU 25 - HG3 GLU 77 OK 37 53 - 71 - 1649=15, 1648/1.8=12...(30) HB3 PRO 19 - HG3 GLU 25 OK 19 98 - 19 - 1658/1.8=2, 2.3/1663=2...(8) HE3 LYS 68 - HG3 GLU 25 OK 18 99 - 18 - 3111/1.8=4, 1.8/1666=2...(8) HB2 PRO 19 - HG3 GLU 25 OK 18 95 - 19 - 2.3/1663=2, 1658/1.8=2...(9) HB2 LEU 23 - HG3 GLU 25 OK 11 76 - 15 - 4.6/4491=4, 599/5.0=2...(6) HB2 LYS 78 - HG3 GLU 25 OK 11 100 - 11 - 4.0/368=2, ~5818=2, 1658/1.8=2 HB2 LYS 78 - HG3 GLU 77 poor 9 53 - 17 - 3297/4.9=5, ~5818=4...(5) HB3 PRO 19 - HG3 GLU 77 poor 6 50 - 12 - 882/4.9=1 HE3 LYS 68 - HG3 GLU 77 poor 5 51 - 10 - 3111/1.8=3 HB2 PRO 19 - HG3 GLU 77 poor 5 46 - 12 - 882/4.9=1 HB2 LEU 34 - HG3 GLU 25 lone 4 100 - 4 - HB2 LEU 23 - HG3 GLU 77 lone 3 34 - 9 - 4.6/4491=2, ~5804=1 HG2 PRO 84 - HG3 GLU 25 lone 3 100 - 3 - HG2 PRO 84 - HG3 GLU 77 lone 2 53 - 3 - HB3 PRO 81 - HG3 GLU 77 lone 2 34 - 5 - 882/4.9=1 HB3 PRO 81 - HG3 GLU 25 lone 1 76 - 2 - HB3 GLU 49 - HG3 GLU 25 lone 1 71 - 2 - HG2 GLU 49 - HG3 GLU 25 lone 1 76 - 2 - HB2 LEU 34 - HG3 GLU 77 lone 1 53 - 2 - HB2 GLU 51 - HG3 GLU 25 lone 1 71 - 1 - HB2 GLU 51 - HG3 GLU 77 lone 1 31 - 2 - HG2 GLU 49 - HG3 GLU 77 lone 0 34 - 1 - HB3 GLU 49 - HG3 GLU 77 lone 0 31 - 2 - Peak 1665 from cnoeabs.peaks (2.10, 2.44, 36.17 ppm; 2.99 A): 1 out of 8 assignments used, quality = 0.99: * HB3 GLU 25 + HG3 GLU 25 OK 99 100 - 99 - 3.0=99, 1659/1.8=15...(8) HB3 GLU 77 - HG3 GLU 25 OK 36 63 - 57 - 1659/1.8=5, 1.8/3268=5...(28) HB3 GLU 25 - HG3 GLU 77 OK 32 53 - 60 - 1.8/1649=10, 1655=7...(26) HB3 GLU 77 - HG3 GLU 77 OK 26 27 - 99 - 3.0=98, 4.0/879=6...(9) HG3 GLU 22 - HG3 GLU 25 OK 17 76 - 23 - 1647/3.0=3, 1659/1.8=2...(12) HG2 GLU 22 - HG3 GLU 25 OK 13 63 - 21 - 1571/3.0=3, 1647/3.0=2...(10) HG3 GLU 22 - HG3 GLU 77 poor 8 34 - 24 - 1576/3.0=3, 1573/3.7=3...(11) HG2 GLU 22 - HG3 GLU 77 poor 6 27 - 23 - 1567/3.7=3, 3.0/3268=2...(10) Peak 1666 from cnoeabs.peaks (2.22, 2.44, 36.17 ppm; 2.40 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 25 + HG3 GLU 25 OK 100 100 - 100 - 1.8=100 HG2 GLU 77 + HG3 GLU 77 OK 53 53 - 100 - 1.8=100 HG2 GLU 77 - HG3 GLU 25 OK 38 100 - 38 - 3280=7, 1648/3.0=4...(16) HG2 GLU 25 - HG3 GLU 77 OK 20 53 - 39 - 1661=8, 3.0/1649=4...(17) HE2 LYS 68 - HG3 GLU 25 OK 10 98 - 10 - 1648/3.0=2, 1.8/1664=1, ~3111=1 HG2 GLU 33 - HG3 GLU 77 poor 10 53 - 19 - 2061/3.0=3, ~2066=2...(7) HG2 GLU 33 - HG3 GLU 25 lone 5 100 - 5 - HE2 LYS 68 - HG3 GLU 77 lone 3 50 - 6 - Peak 1667 from cnoeabs.peaks (2.44, 2.44, 36.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 25 + HG3 GLU 25 OK 100 100 - 100 HG3 GLU 77 + HG3 GLU 77 OK 46 46 - 100 Peak 1668 from cnoeabs.peaks (7.27, 4.10, 56.05 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 26 + HA LYS 26 OK 100 100 - 100 - 3.0=100 Peak 1669 from cnoeabs.peaks (4.10, 4.10, 56.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 26 + HA LYS 26 OK 100 100 - 100 Peak 1670 from cnoeabs.peaks (1.31, 4.10, 56.05 ppm; 3.32 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LYS 26 + HA LYS 26 OK 100 100 - 100 - 3.0=100 HB3 LYS 68 - HA LYS 26 OK 30 90 - 33 - 1690/3.0=4, 605/3.0=4...(18) HD3 LYS 44 - HA LYS 26 OK 23 87 - 26 - 1690/3.0=3, 605/3.0=2...(11) HB VAL 50 - HA LYS 26 OK 18 90 - 20 - 1690/3.0=3, ~2498=2...(12) HG3 LYS 31 - HA LYS 26 OK 14 98 - 14 - 98/3.6=5, 1690/3.0=2, 605/3.0=2 HG3 ARG 45 - HA LYS 26 OK 13 98 - 13 - 1690/3.0=2, ~2337=1...(4) QB ALA 60 - HA LYS 26 OK 10 100 - 10 - 1690/3.0=2, 605/3.0=1 HG3 LYS 56 - HA LYS 26 poor 6 60 - 10 - Peak 1671 from cnoeabs.peaks (1.52, 4.10, 56.05 ppm; 3.52 A): 1 out of 16 assignments used, quality = 1.00: * HB3 LYS 26 + HA LYS 26 OK 100 100 - 100 - 3.0=100 HG LEU 30 - HA LYS 26 OK 32 78 - 42 - 2.1/1672=5, 3.0/1675=5...(23) HG3 ARG 27 - HA LYS 26 OK 28 100 - 28 - 1790/3.6=13, 606/3.0=3...(8) QB ALA 71 - HA LYS 26 OK 25 100 - 25 - 2.9/3866=3, 618/3.6=3...(14) HB2 LEU 85 - HA LYS 26 OK 22 100 - 22 - 3.1/1675=3, 3.1/1674=3...(7) HB3 LEU 87 - HA LYS 26 OK 22 93 - 23 - 3.1/1675=3, 3.1/1674=3...(10) HG LEU 34 - HA LYS 26 OK 21 100 - 21 - 2.1/1673=3, 2095/4.1=2...(10) HB3 LYS 44 - HA LYS 26 OK 18 76 - 23 - 3.7/1670=2, 2273/3.0=2...(8) HB2 LYS 56 - HA LYS 26 OK 13 89 - 14 - 1681/3.0=1, 2625/3.0=1 QB ALA 72 - HA LYS 26 OK 13 71 - 18 - ~91=2, 5691/3.6=2...(8) HD2 LYS 56 - HA LYS 26 OK 12 93 - 13 - 1681/3.0=1, 99/3.6=1 HB2 ARG 45 - HA LYS 26 OK 10 98 - 10 - 2.9/1670=2, 1681/3.0=1 HD3 LYS 64 - HA LYS 26 lone 5 99 - 5 - HG2 GLU 37 - HA LYS 26 lone 5 90 - 5 - HD2 LYS 17 - HA LYS 26 lone 4 98 - 4 - HD3 LYS 17 - HA LYS 26 lone 4 98 - 4 - Peak 1672 from cnoeabs.peaks (0.75, 4.10, 56.05 ppm; 3.78 A): 1 out of 7 assignments used, quality = 0.96: * HG2 LYS 26 + HA LYS 26 OK 96 100 - 96 - 4.1=80, 1698/3.0=23...(17) QD1 LEU 30 - HA LYS 26 OK 38 78 - 49 - 2.1/1674=6, 3.1/1675=6...(21) QG1 VAL 20 - HA LYS 26 OK 29 100 - 29 - 4397/3.0=6, 607/3.0=4...(11) QG2 VAL 20 - HA LYS 26 OK 22 87 - 25 - ~4397=4, 1682/3.0=3...(11) QD1 LEU 73 - HA LYS 26 OK 16 63 - 26 - 1698/3.0=4, 2.1/1674=4...(12) QD1 LEU 79 - HA LYS 26 OK 12 97 - 12 - 1682/3.0=2, 1692/3.0=2...(7) QD1 LEU 12 - HA LYS 26 OK 12 100 - 11 - 607/3.0=2, 100/3.6=2...(4) Peak 1673 from cnoeabs.peaks (1.21, 4.10, 56.05 ppm; 3.54 A): 2 out of 8 assignments used, quality = 0.95: * HG3 LYS 26 + HA LYS 26 OK 92 100 - 92 - 4.1=66, 1708/3.0=17...(17) HD2 LYS 68 + HA LYS 26 OK 34 83 - 41 - 1683/3.0=4, 1693/3.0=4...(23) HD3 LYS 68 - HA LYS 26 OK 33 81 - 41 - 1683/3.0=4, 1693/3.0=4...(23) HG2 LYS 14 - HA LYS 26 OK 32 100 - 32 - 1708/3.0=6, 1.8/1254=4...(14) QD1 LEU 34 - HA LYS 26 OK 23 97 - 24 - 1693/3.0=3, 1683/3.0=3...(9) QG2 THR 83 - HA LYS 26 OK 22 99 - 23 - 3520=4, 1683/3.0=2...(13) HG3 LYS 44 - HA LYS 26 OK 18 63 - 29 - 3.0/1670=3, 1244=3...(14) HG13 ILE 35 - HA LYS 26 lone 4 73 - 6 - Peak 1674 from cnoeabs.peaks (0.85, 4.10, 56.05 ppm; 3.58 A): 4 out of 9 assignments used, quality = 0.93: * HD2 LYS 26 + HA LYS 26 OK 80 100 - 80 - 5.2=32, 1718/3.0=16...(16) QD2 LEU 30 + HA LYS 26 OK 36 85 - 43 - 2.1/1672=5, 3.1/1675=5...(21) QD2 LEU 87 + HA LYS 26 OK 27 99 - 27 - 2.1/1675=4, 1684/3.0=3...(12) QD2 LEU 85 + HA LYS 26 OK 23 95 - 25 - 2.1/1675=4, 1684/3.0=2...(12) QD2 LEU 73 - HA LYS 26 OK 23 97 - 24 - 609/3.0=3, 1684/3.0=3...(12) QG2 VAL 47 - HA LYS 26 OK 18 98 - 19 - 4840/4.1=5, 4835/3.0=3...(7) QB ALA 75 - HA LYS 26 OK 14 85 - 16 - 6108/3.0=4, 609/3.0=3...(5) QG1 VAL 47 - HA LYS 26 poor 8 63 - 13 - 4840/4.1=2, ~4835=1...(7) QG2 ILE 35 - HA LYS 26 lone 3 68 - 5 - Peak 1675 from cnoeabs.peaks (0.90, 4.10, 56.05 ppm; 3.46 A): 4 out of 8 assignments used, quality = 0.92: * HD3 LYS 26 + HA LYS 26 OK 77 100 - 77 - 5.2=29, 1728/3.0=15...(16) HB3 LEU 30 + HA LYS 26 OK 41 100 - 41 - 103/3.6=4, 1685/3.0=4...(19) QD1 LEU 87 + HA LYS 26 OK 25 100 - 25 - 2.1/1674=4, 1685/3.0=3...(12) QD1 LEU 85 + HA LYS 26 OK 23 99 - 24 - 2.1/1674=3, 1685/3.0=2...(12) QD2 LEU 30 - HA LYS 26 OK 19 60 - 32 - 2.1/1672=5, 2.1/1671=3...(19) QD2 LEU 23 - HA LYS 26 OK 17 92 - 18 - 610/3.0=4, 3.1/4520=3...(8) QD1 LEU 76 - HA LYS 26 OK 14 89 - 16 - 6115/4.1=3, 610/3.0=2...(9) QB ALA 75 - HA LYS 26 poor 6 60 - 10 - 6108/3.0=2, ~90=2...(4) Peak 1676 from cnoeabs.peaks (2.52, 4.10, 56.05 ppm; 5.86 A): 3 out of 4 assignments used, quality = 1.00: * HE2 LYS 26 + HA LYS 26 OK 97 100 - 97 - 6.6=71, ~1718=26...(13) HE3 LYS 26 + HA LYS 26 OK 97 100 - 97 - 6.6=71, ~1718=26...(13) HB2 TYR 32 + HA LYS 26 OK 49 100 - 49 - ~4609=8, 1686/3.0=7...(11) HG2 MET 48 - HA LYS 26 OK 38 93 - 40 - 1697/3.0=6, 1687/3.0=6...(11) Peak 1677 from cnoeabs.peaks (2.52, 4.10, 56.05 ppm; 5.86 A): 3 out of 4 assignments used, quality = 1.00: * HE3 LYS 26 + HA LYS 26 OK 97 100 - 97 - 6.6=71, ~1718=26...(13) HE2 LYS 26 + HA LYS 26 OK 97 100 - 97 - 6.6=71, ~1718=26...(13) HB2 TYR 32 + HA LYS 26 OK 49 100 - 49 - ~4609=8, 1686/3.0=7...(11) HG2 MET 48 - HA LYS 26 OK 39 97 - 40 - 1697/3.0=6, 1687/3.0=6...(11) Peak 1678 from cnoeabs.peaks (7.27, 1.31, 33.48 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 26 + HB2 LYS 26 OK 100 100 - 100 - 4.0=100 Peak 1679 from cnoeabs.peaks (4.10, 1.31, 33.48 ppm; 3.75 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 26 + HB2 LYS 26 OK 100 100 - 100 - 3.0=100 HA LYS 14 - HB2 LYS 26 OK 39 100 - 40 - 1689/1.8=7, 1699/2.9=5...(17) HB THR 83 - HB2 LYS 26 OK 23 81 - 29 - 1689/1.8=4, 3517/2.9=3...(13) HA LYS 91 - HB2 LYS 26 OK 19 100 - 18 - 1689/1.8=3, 1699/2.9=2...(7) HB2 SER 62 - HB2 LYS 26 OK 13 92 - 14 - 5390/1.8=3, 1699/2.9=2...(5) HA3 GLY 61 - HB2 LYS 26 poor 7 63 - 11 - 2.9/276=3, 1.8/5377=2 Peak 1680 from cnoeabs.peaks (1.31, 1.31, 33.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 26 + HB2 LYS 26 OK 100 100 - 100 Peak 1681 from cnoeabs.peaks (1.52, 1.31, 33.48 ppm; 3.05 A): 1 out of 16 assignments used, quality = 1.00: * HB3 LYS 26 + HB2 LYS 26 OK 100 100 - 100 - 1.8=100 HG LEU 30 - HB2 LYS 26 OK 31 78 - 40 - 2.1/1682=4, 3.0/1685=3...(26) QB ALA 71 - HB2 LYS 26 OK 27 100 - 27 - 2.9/3867=2, 5660/3.6=2...(14) HG3 ARG 27 - HB2 LYS 26 OK 25 100 - 26 - 1790/4.3=8, 606/4.0=2...(10) HB2 LEU 85 - HB2 LYS 26 OK 21 100 - 21 - 3.1/1685=2, 3.1/1684=2...(7) HB3 LYS 44 - HB2 LYS 26 OK 21 76 - 28 - 2.9/2283=2, 2273=2...(11) HB3 LEU 87 - HB2 LYS 26 OK 21 93 - 22 - 3.1/1685=2, 3.1/1684=2...(8) HG LEU 34 - HB2 LYS 26 OK 20 100 - 20 - 2.1/1683=2, 2095/2.9=2...(5) QB ALA 72 - HB2 LYS 26 OK 14 71 - 19 - 4.5/4521=3, 5673/3.6=2...(7) HB2 LYS 56 - HB2 LYS 26 OK 14 89 - 15 - 2625/1.8=1 HD2 LYS 56 - HB2 LYS 26 OK 13 93 - 14 - HB2 ARG 45 - HB2 LYS 26 OK 12 98 - 12 - 2.9/2340=2, 5.0/4514=1, ~2337=1 HD3 LYS 64 - HB2 LYS 26 lone 7 99 - 7 - HD2 LYS 17 - HB2 LYS 26 lone 5 98 - 5 - HD3 LYS 17 - HB2 LYS 26 lone 5 98 - 5 - HG2 GLU 37 - HB2 LYS 26 lone 4 90 - 5 - Peak 1682 from cnoeabs.peaks (0.75, 1.31, 33.48 ppm; 3.70 A): 2 out of 7 assignments used, quality = 1.00: * HG2 LYS 26 + HB2 LYS 26 OK 100 100 - 100 - 2.9=100 QD1 LEU 30 + HB2 LYS 26 OK 48 78 - 61 - 1692/1.8=6, 1722/3.6=5...(33) QG1 VAL 20 - HB2 LYS 26 OK 40 100 - 40 - 4397=7, 1692/1.8=5...(15) QG2 VAL 20 - HB2 LYS 26 OK 31 87 - 36 - 2.1/4397=7, 1692/1.8=4...(13) QD1 LEU 73 - HB2 LYS 26 OK 23 63 - 37 - 3.9/4521=5, 2.1/1684=3...(17) QD1 LEU 79 - HB2 LYS 26 OK 22 97 - 23 - 5868/4514=3, 1692/1.8=3...(9) QD1 LEU 12 - HB2 LYS 26 OK 17 100 - 17 - 1692/1.8=2, 100/4.3=1...(7) Peak 1683 from cnoeabs.peaks (1.21, 1.31, 33.48 ppm; 3.56 A): 3 out of 8 assignments used, quality = 1.00: * HG3 LYS 26 + HB2 LYS 26 OK 100 100 - 100 - 2.9=100 HD2 LYS 68 + HB2 LYS 26 OK 52 83 - 62 - 1693/1.8=5, 1703/2.9=4...(34) HD3 LYS 68 + HB2 LYS 26 OK 50 81 - 62 - 1693/1.8=5, 1703/2.9=4...(34) HG2 LYS 14 - HB2 LYS 26 OK 39 100 - 40 - 1708/4.0=4, 1693/1.8=4...(14) QD1 LEU 34 - HB2 LYS 26 OK 32 97 - 34 - 4676/3.6=4, 4676/3.6=4...(11) HG3 LYS 44 - HB2 LYS 26 OK 29 63 - 46 - 1.8/2283=4, 1693/1.8=3...(29) QG2 THR 83 - HB2 LYS 26 OK 25 99 - 26 - 2.1/1679=4, 3520/3.0=3...(12) HG13 ILE 35 - HB2 LYS 26 lone 7 73 - 9 - Peak 1684 from cnoeabs.peaks (0.85, 1.31, 33.48 ppm; 4.06 A): 2 out of 9 assignments used, quality = 1.00: * HD2 LYS 26 + HB2 LYS 26 OK 100 100 - 100 - 3.6=100 QD2 LEU 30 + HB2 LYS 26 OK 55 85 - 65 - 2.1/1682=7, 3.1/1685=5...(32) QD2 LEU 87 - HB2 LYS 26 OK 42 99 - 42 - 2.1/1685=4, 1694/1.8=4...(17) QD2 LEU 73 - HB2 LYS 26 OK 40 97 - 41 - 3.9/4521=6, 1694/1.8=4...(14) QD2 LEU 85 - HB2 LYS 26 OK 37 95 - 39 - 2.1/1685=4, 1694/1.8=4...(15) QG2 VAL 47 - HB2 LYS 26 OK 35 98 - 36 - 4840/2.9=8, 4835=4...(14) QB ALA 75 - HB2 LYS 26 OK 26 85 - 31 - 6108=6, 5.0/4521=5...(13) QG1 VAL 47 - HB2 LYS 26 OK 19 63 - 30 - ~4840=4, 2.1/4835=4...(13) QG2 ILE 35 - HB2 LYS 26 poor 7 68 - 11 - Peak 1685 from cnoeabs.peaks (0.90, 1.31, 33.48 ppm; 4.05 A): 2 out of 8 assignments used, quality = 1.00: * HD3 LYS 26 + HB2 LYS 26 OK 100 100 - 100 - 3.6=100 HB3 LEU 30 + HB2 LYS 26 OK 67 100 - 67 - 1695/1.8=6, 1675/3.0=6...(33) QD1 LEU 87 - HB2 LYS 26 OK 42 100 - 42 - 1695/1.8=4, 2.1/1684=4...(15) QD1 LEU 85 - HB2 LYS 26 OK 39 99 - 40 - 1695/1.8=4, 1675/3.0=4...(15) QD2 LEU 23 - HB2 LYS 26 OK 35 92 - 38 - 3.9/4521=8, 610/4.0=4...(15) QD2 LEU 30 - HB2 LYS 26 OK 34 60 - 56 - 2.1/1682=7, ~1692=5...(29) QD1 LEU 76 - HB2 LYS 26 OK 32 89 - 36 - ~6114=6, 4.0/4521=6...(13) QB ALA 75 - HB2 LYS 26 OK 14 60 - 23 - 5.0/4521=5, 6108=4...(8) Peak 1686 from cnoeabs.peaks (2.52, 1.31, 33.48 ppm; 6.20 A): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 26 + HB2 LYS 26 OK 100 100 - 100 - 4.9=100 HE3 LYS 26 + HB2 LYS 26 OK 100 100 - 100 - 4.9=100 HB2 TYR 32 + HB2 LYS 26 OK 67 100 - 67 - 2.5/4609=9, 1696/1.8=8...(17) HG2 MET 48 + HB2 LYS 26 OK 56 93 - 60 - 1697/1.8=8, 1677/3.0=5...(20) Peak 1687 from cnoeabs.peaks (2.52, 1.31, 33.48 ppm; 6.20 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 26 + HB2 LYS 26 OK 100 100 - 100 - 4.9=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 - 100 - 4.9=100 HB2 TYR 32 + HB2 LYS 26 OK 66 100 - 67 - 2.5/4609=9, 1696/1.8=8...(17) HG2 MET 48 + HB2 LYS 26 OK 58 97 - 60 - 1697/1.8=8, 4856/2.9=6...(21) Peak 1688 from cnoeabs.peaks (7.27, 1.52, 33.48 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 26 + HB3 LYS 26 OK 99 100 - 99 - 4.0=95, 96/4.3=27...(17) Peak 1689 from cnoeabs.peaks (4.10, 1.52, 33.48 ppm; 4.00 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 26 + HB3 LYS 26 OK 100 100 - 100 - 3.0=100 HA LYS 14 - HB3 LYS 26 OK 44 100 - 44 - 1679/1.8=8, 1699/2.9=6...(17) HB THR 83 - HB3 LYS 26 OK 26 81 - 32 - 1679/1.8=5, 5936/3.6=4...(14) HA LYS 91 - HB3 LYS 26 OK 21 100 - 21 - 1679/1.8=4, 1699/2.9=2...(9) HB2 SER 62 - HB3 LYS 26 OK 17 92 - 19 - 5390=4, 1679/1.8=3...(9) HA3 GLY 61 - HB3 LYS 26 poor 8 63 - 12 - ~5377=2, ~276=2...(4) Peak 1690 from cnoeabs.peaks (1.31, 1.52, 33.48 ppm; 3.09 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LYS 26 + HB3 LYS 26 OK 100 100 - 100 - 1.8=100 HB3 LYS 68 - HB3 LYS 26 OK 40 90 - 44 - 1700/2.9=3, ~3036=3...(20) HD3 LYS 44 - HB3 LYS 26 OK 31 87 - 35 - 1670/3.0=2, 1700/2.9=2...(18) HB VAL 50 - HB3 LYS 26 OK 25 90 - 28 - ~2498=3, ~2493=3...(15) HG3 ARG 45 - HB3 LYS 26 OK 18 98 - 18 - 1.8/2337=2, 2344=2...(8) HG3 LYS 31 - HB3 LYS 26 OK 16 98 - 16 - 98/4.3=3, 1670/3.0=1...(6) QB ALA 60 - HB3 LYS 26 OK 14 100 - 14 - ~2777=1, 5369/3.6=1, 1670/3.0=1 HG3 LYS 56 - HB3 LYS 26 poor 8 60 - 13 - Peak 1691 from cnoeabs.peaks (1.52, 1.52, 33.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 26 + HB3 LYS 26 OK 100 100 - 100 Peak 1692 from cnoeabs.peaks (0.75, 1.52, 33.48 ppm; 3.82 A): 2 out of 7 assignments used, quality = 1.00: * HG2 LYS 26 + HB3 LYS 26 OK 100 100 - 100 - 2.9=100 QD1 LEU 30 + HB3 LYS 26 OK 49 78 - 63 - 1682/1.8=7, 1722/3.6=5...(31) QG1 VAL 20 - HB3 LYS 26 OK 39 100 - 39 - 4397/1.8=7, 1672/3.0=4...(15) QG2 VAL 20 - HB3 LYS 26 OK 32 87 - 37 - ~4397=5, 1682/1.8=4...(14) QD1 LEU 73 - HB3 LYS 26 OK 23 63 - 37 - 2.1/1694=3, 1682/1.8=3...(18) QD1 LEU 79 - HB3 LYS 26 OK 21 97 - 22 - 1682/1.8=3, 5868/4516=3...(8) QD1 LEU 12 - HB3 LYS 26 OK 18 100 - 17 - 1682/1.8=2, 100/4.3=2...(7) Peak 1693 from cnoeabs.peaks (1.21, 1.52, 33.48 ppm; 3.74 A): 3 out of 8 assignments used, quality = 1.00: * HG3 LYS 26 + HB3 LYS 26 OK 100 100 - 100 - 2.9=100 HD2 LYS 68 + HB3 LYS 26 OK 53 83 - 64 - 1683/1.8=6, 1703/2.9=5...(39) HD3 LYS 68 + HB3 LYS 26 OK 51 81 - 63 - 1683/1.8=6, 3.5/1690=5...(39) HG2 LYS 14 - HB3 LYS 26 OK 42 100 - 43 - 1708/4.0=5, 1683/1.8=5...(16) QD1 LEU 34 - HB3 LYS 26 OK 39 97 - 40 - 4676/3.6=5, 4676/3.6=4...(15) HG3 LYS 44 - HB3 LYS 26 OK 30 63 - 48 - 3.0/1690=4, 1683/1.8=3...(29) QG2 THR 83 - HB3 LYS 26 OK 28 99 - 28 - 2.1/1689=4, 3520/3.0=3...(12) HG13 ILE 35 - HB3 LYS 26 poor 9 73 - 11 - Peak 1694 from cnoeabs.peaks (0.85, 1.52, 33.48 ppm; 4.28 A): 2 out of 9 assignments used, quality = 1.00: * HD2 LYS 26 + HB3 LYS 26 OK 100 100 - 100 - 3.6=100 QD2 LEU 30 + HB3 LYS 26 OK 57 85 - 68 - 2.1/1692=7, 1684/1.8=6...(32) QD2 LEU 87 - HB3 LYS 26 OK 45 99 - 45 - 1684/1.8=5, 2.1/1695=4...(21) QD2 LEU 73 - HB3 LYS 26 OK 42 97 - 43 - 1684/1.8=4, 1674/3.0=4...(20) QD2 LEU 85 - HB3 LYS 26 OK 40 95 - 42 - 1684/1.8=4, 2.1/1695=4...(21) QG2 VAL 47 - HB3 LYS 26 OK 37 98 - 38 - 4840/2.9=8, 4835/1.8=4...(15) QB ALA 75 - HB3 LYS 26 OK 29 85 - 34 - 6108/1.8=7, 5.0/4522=4...(12) QG1 VAL 47 - HB3 LYS 26 OK 21 63 - 33 - ~4840=5, 4840/2.9=3...(14) QG2 ILE 35 - HB3 LYS 26 OK 10 68 - 15 - 4.0/158=1 Peak 1695 from cnoeabs.peaks (0.90, 1.52, 33.48 ppm; 4.24 A): 3 out of 8 assignments used, quality = 1.00: * HD3 LYS 26 + HB3 LYS 26 OK 100 100 - 100 - 3.6=100 HB3 LEU 30 + HB3 LYS 26 OK 69 100 - 70 - 1685/1.8=7, 1675/3.0=7...(37) QD1 LEU 87 + HB3 LYS 26 OK 45 100 - 45 - 1685/1.8=5, 1675/3.0=4...(18) QD1 LEU 85 - HB3 LYS 26 OK 42 99 - 43 - 1685/1.8=4, 1675/3.0=4...(21) QD2 LEU 23 - HB3 LYS 26 OK 37 92 - 40 - 3.9/4522=6, 610/4.0=4...(16) QD2 LEU 30 - HB3 LYS 26 OK 36 60 - 60 - 2.1/1692=7, ~1682=5...(29) QD1 LEU 76 - HB3 LYS 26 OK 36 89 - 40 - ~6114=7, 4.0/4522=5...(13) QB ALA 75 - HB3 LYS 26 OK 15 60 - 26 - 6108/1.8=5, 5.0/4522=4...(9) Peak 1696 from cnoeabs.peaks (2.52, 1.52, 33.48 ppm; 6.20 A): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 26 + HB3 LYS 26 OK 100 100 - 100 - 4.9=100 HE3 LYS 26 + HB3 LYS 26 OK 100 100 - 100 - 4.9=100 HB2 TYR 32 + HB3 LYS 26 OK 65 100 - 65 - ~4609=10, 1686/1.8=9...(15) HG2 MET 48 + HB3 LYS 26 OK 57 93 - 61 - 1687/1.8=8, 1677/3.0=5...(21) Peak 1697 from cnoeabs.peaks (2.52, 1.52, 33.48 ppm; 6.20 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 26 + HB3 LYS 26 OK 100 100 - 100 - 4.9=100 HE2 LYS 26 + HB3 LYS 26 OK 100 100 - 100 - 4.9=100 HB2 TYR 32 + HB3 LYS 26 OK 64 100 - 65 - ~4609=10, 1686/1.8=9...(15) HG2 MET 48 + HB3 LYS 26 OK 59 97 - 61 - 1687/1.8=8, 4856/2.9=6...(21) Peak 1698 from cnoeabs.peaks (7.27, 0.75, 23.98 ppm; 4.03 A): 1 out of 2 assignments used, quality = 0.96: * H LYS 26 + HG2 LYS 26 OK 96 100 - 96 - 4.9=55, 1688/2.9=31...(20) H LYS 26 - QD1 LEU 73 OK 15 41 - 36 - 6156/3.9=7, 607=5...(16) Peak 1699 from cnoeabs.peaks (4.10, 0.75, 23.98 ppm; 4.07 A): 2 out of 12 assignments used, quality = 1.00: * HA LYS 26 + HG2 LYS 26 OK 100 100 - 100 - 4.1=100 HA LYS 14 + HG2 LYS 26 OK 45 100 - 46 - 1217/1.8=7, 1729/3.0=7...(15) HB THR 83 - HG2 LYS 26 OK 26 81 - 32 - 3517/1.8=4, 5936/3.0=4...(14) HA LYS 91 - HG2 LYS 26 OK 19 100 - 19 - 1679/2.9=3, 1689/2.9=3...(6) HB2 SER 62 - HG2 LYS 26 OK 15 92 - 16 - 5390/2.9=4, 1679/2.9=2...(6) HA LYS 26 - QD1 LEU 73 OK 13 41 - 30 - 3.0/1698=4, 1674/2.1=4...(12) HA3 GLY 61 - HG2 LYS 26 poor 8 63 - 12 - ~5377=1, ~276=1, ~5373=1...(7) HA LYS 91 - QD1 LEU 73 lone 3 41 - 6 - HA LYS 14 - QD1 LEU 73 lone 3 41 - 6 - HA3 GLY 61 - QD1 LEU 73 lone 1 20 - 5 - ~5373=1 HB THR 83 - QD1 LEU 73 lone 1 28 - 3 - HB2 SER 62 - QD1 LEU 73 lone 1 34 - 2 - Peak 1700 from cnoeabs.peaks (1.31, 0.75, 23.98 ppm; 3.84 A): 2 out of 16 assignments used, quality = 1.00: * HB2 LYS 26 + HG2 LYS 26 OK 100 100 - 100 - 2.9=100 HB3 LYS 68 + HG2 LYS 26 OK 59 90 - 66 - 1690/2.9=6, 1.8/5543=6...(37) HD3 LYS 44 - HG2 LYS 26 OK 42 87 - 48 - 1690/2.9=4, ~2301=4...(25) HB VAL 50 - HG2 LYS 26 OK 36 90 - 40 - 2.1/6039=5, 1730/3.0=4...(18) HG3 LYS 31 - HG2 LYS 26 OK 21 98 - 21 - 1690/2.9=2, 1730/3.0=2...(11) HG3 ARG 45 - HG2 LYS 26 OK 20 98 - 21 - 1690/2.9=3, ~2337=2...(8) QB ALA 60 - HG2 LYS 26 OK 18 100 - 18 - 5369/3.0=2, 1690/2.9=2...(6) HB2 LYS 26 - QD1 LEU 73 OK 16 41 - 40 - 4521/3.9=5, 1682=4...(17) HG3 LYS 56 - HG2 LYS 26 OK 10 60 - 17 - 1690/2.9=1 HB3 LYS 68 - QD1 LEU 73 poor 8 33 - 23 - 3045/2.1=3, ~3200=2...(10) QB ALA 60 - QD1 LEU 73 lone 4 41 - 9 - 5369/2.1=2, 5347/4699=2, ~5357=1 HG3 LYS 31 - QD1 LEU 73 lone 3 39 - 9 - 4.6/130=2 HB VAL 50 - QD1 LEU 73 lone 3 33 - 9 - 2.1/6039=3, ~6038=2 HD3 LYS 44 - QD1 LEU 73 lone 1 31 - 4 - HG3 ARG 45 - QD1 LEU 73 lone 1 39 - 3 - HG3 LYS 56 - QD1 LEU 73 lone 0 19 - 2 - Peak 1701 from cnoeabs.peaks (1.52, 0.75, 23.98 ppm; 3.75 A): 2 out of 32 assignments used, quality = 1.00: * HB3 LYS 26 + HG2 LYS 26 OK 100 100 - 100 - 2.9=100 HG LEU 30 + HG2 LYS 26 OK 46 78 - 59 - 2.1/1916=5, 1902=5...(33) HG3 ARG 27 - HG2 LYS 26 OK 40 100 - 40 - 4.9/3869=7, 2.9/4543=4...(19) HB2 LEU 85 - HG2 LYS 26 OK 37 100 - 37 - 3.1/1705=3, 3.1/1704=2...(16) HB3 LEU 87 - HG2 LYS 26 OK 37 93 - 39 - 3.1/1705=3, 3.1/1704=3...(18) QB ALA 71 - HG2 LYS 26 OK 36 100 - 36 - 5660/3.0=3, 2.9/3869=3...(18) HG LEU 34 - HG2 LYS 26 OK 32 100 - 32 - 2095/1.8=4, 2.1/1703=3...(15) HB3 LYS 44 - HG2 LYS 26 OK 27 76 - 35 - 2271/1.8=4, 3.7/1700=3...(19) QB ALA 72 - HG2 LYS 26 OK 25 71 - 36 - 5673/3.0=4, ~5768=3...(16) HB2 LYS 56 - HG2 LYS 26 OK 18 89 - 20 - 1681/2.9=1, 2625/2.9=1 HD2 LYS 56 - HG2 LYS 26 OK 17 93 - 18 - 1681/2.9=1 HB2 ARG 45 - HG2 LYS 26 OK 16 98 - 16 - 2.9/1700=2, 1681/2.9=1...(4) HB3 LYS 26 - QD1 LEU 73 OK 15 41 - 37 - 1692=4, 1694/2.1=3...(18) HG3 ARG 27 - QD1 LEU 73 OK 14 41 - 33 - 2.9/4543=5, 2.9/4544=4...(15) HG LEU 30 - QD1 LEU 73 OK 14 27 - 51 - 1902=6, 2.1/1916=5...(26) QB ALA 71 - QD1 LEU 73 OK 13 41 - 31 - 5633/4.6=11, 5622/4.4=8...(6) HB2 LEU 85 - QD1 LEU 73 OK 11 41 - 26 - 3584/2.1=2, ~3200=2...(7) HB3 LEU 87 - QD1 LEU 73 OK 11 35 - 30 - ~3200=2, 3584/2.1=2...(11) HD3 LYS 64 - HG2 LYS 26 OK 10 99 - 10 - ~5434=1 QB ALA 72 - QD1 LEU 73 poor 9 24 - 38 - 5692/4.6=10, 4065/4.4=10...(8) HD2 LYS 17 - HG2 LYS 26 lone 7 98 - 7 - HD3 LYS 17 - HG2 LYS 26 lone 7 98 - 7 - HG2 GLU 37 - HG2 LYS 26 lone 6 90 - 7 - 4779/1.8=1 HB2 LYS 56 - QD1 LEU 73 lone 2 32 - 5 - HG LEU 34 - QD1 LEU 73 lone 2 41 - 4 - HG2 GLU 37 - QD1 LEU 73 lone 1 33 - 4 - HD2 LYS 56 - QD1 LEU 73 lone 1 35 - 4 - HD3 LYS 64 - QD1 LEU 73 lone 1 40 - 3 - HB2 ARG 45 - QD1 LEU 73 lone 1 39 - 3 - HD2 LYS 17 - QD1 LEU 73 lone 1 39 - 3 - HD3 LYS 17 - QD1 LEU 73 lone 1 39 - 3 - HB3 LYS 44 - QD1 LEU 73 lone 1 26 - 3 - Peak 1702 from cnoeabs.peaks (0.75, 0.75, 23.98 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 26 + HG2 LYS 26 OK 100 100 - 100 QD1 LEU 73 - QD1 LEU 73 OK 20 20 - 100 Peak 1703 from cnoeabs.peaks (1.21, 0.75, 23.98 ppm; 2.76 A): 1 out of 16 assignments used, quality = 1.00: * HG3 LYS 26 + HG2 LYS 26 OK 100 100 - 100 - 1.8=100 HD2 LYS 68 - HG2 LYS 26 OK 35 83 - 42 - 3.0/5565=3, 3.0/5566=3...(17) HD3 LYS 68 - HG2 LYS 26 OK 34 81 - 42 - 3.0/5565=3, 3.0/5566=3...(15) HG2 LYS 14 - HG2 LYS 26 OK 26 100 - 26 - 1712=5, ~1257=3, ~1248=3...(10) QD1 LEU 34 - HG2 LYS 26 OK 19 97 - 20 - 4676/3.0=3, 4676/3.0=3...(8) QG2 THR 83 - HG2 LYS 26 OK 18 99 - 18 - 2.1/1699=2, ~3517=2...(8) HG3 LYS 44 - HG2 LYS 26 OK 17 63 - 26 - 1712=3, ~2281=2...(9) HG3 LYS 26 - QD1 LEU 73 OK 10 41 - 24 - 1712=3, 1714/2.1=2...(10) HG13 ILE 35 - HG2 LYS 26 lone 4 73 - 5 - HD2 LYS 68 - QD1 LEU 73 poor 3 29 - 11 - ~6105=1 HD3 LYS 68 - QD1 LEU 73 poor 3 28 - 11 - ~6105=1 HG13 ILE 35 - QD1 LEU 73 lone 2 25 - 8 - ~6147=1, 2141/2.1=1 HG2 LYS 14 - QD1 LEU 73 lone 1 41 - 3 - QD1 LEU 34 - QD1 LEU 73 lone 1 37 - 2 - QG2 THR 83 - QD1 LEU 73 lone 0 40 - 1 - HG3 LYS 44 - QD1 LEU 73 lone 0 20 - 1 - Peak 1704 from cnoeabs.peaks (0.85, 0.75, 23.98 ppm; 3.05 A): 1 out of 18 assignments used, quality = 1.00: * HD2 LYS 26 + HG2 LYS 26 OK 100 100 - 100 - 3.0=100 QD2 LEU 30 - HG2 LYS 26 OK 40 85 - 48 - 1916=5, 1734/3.0=3...(26) QD2 LEU 73 - QD1 LEU 73 OK 38 38 - 100 - 2.1=100 QD2 LEU 87 - HG2 LYS 26 OK 30 99 - 30 - 2.1/1705=3, 1734/3.0=3...(10) QD2 LEU 73 - HG2 LYS 26 OK 27 97 - 28 - 1714/1.8=2, 1734/3.0=2...(10) QD2 LEU 85 - HG2 LYS 26 OK 26 95 - 28 - 2.1/1705=3, 1734/3.0=2...(9) QG2 VAL 47 - HG2 LYS 26 OK 21 98 - 21 - 4840/1.8=6, 4835/2.9=2...(6) QB ALA 75 - HG2 LYS 26 OK 13 85 - 15 - 6108/2.9=3, 2.1/5764=1...(6) HD2 LYS 26 - QD1 LEU 73 OK 12 41 - 29 - 1722=4, 1.8/1732=2...(10) QD2 LEU 30 - QD1 LEU 73 OK 12 30 - 39 - 1916=5, 2.1/1902=4...(16) QG1 VAL 47 - HG2 LYS 26 OK 11 63 - 17 - ~4840=3, 4840/1.8=2...(4) QD2 LEU 87 - QD1 LEU 73 OK 10 40 - 25 - 3174/3.1=2, 3181/3.1=2...(7) QD2 LEU 85 - QD1 LEU 73 poor 8 36 - 21 - 3174/3.1=2, 3181/3.1=2...(4) QB ALA 75 - QD1 LEU 73 poor 7 30 - 22 - 5743/4.6=7, ~5750=2...(8) QG2 ILE 35 - HG2 LYS 26 lone 4 68 - 6 - QG2 ILE 35 - QD1 LEU 73 poor 4 23 - 17 - ~6147=2, ~5714=2...(7) QG2 VAL 47 - QD1 LEU 73 lone 2 39 - 5 - QG1 VAL 47 - QD1 LEU 73 lone 1 20 - 4 - Peak 1705 from cnoeabs.peaks (0.90, 0.75, 23.98 ppm; 2.98 A): 2 out of 16 assignments used, quality = 1.00: * HD3 LYS 26 + HG2 LYS 26 OK 100 100 - 100 - 3.0=100 HB3 LEU 30 + HG2 LYS 26 OK 46 100 - 46 - 1715/1.8=4, 1725/3.0=4...(20) QD1 LEU 87 - HG2 LYS 26 OK 28 100 - 29 - 1715/1.8=2, 2.1/1704=2...(9) QD1 LEU 85 - HG2 LYS 26 OK 26 99 - 27 - 1715/1.8=2, 1725/3.0=2...(8) QD2 LEU 30 - HG2 LYS 26 OK 24 60 - 41 - 1916=3, 2.1/1902=3...(22) QD1 LEU 76 - HG2 LYS 26 OK 23 89 - 26 - ~6114=4, 6115/1.8=3...(11) QD2 LEU 23 - HG2 LYS 26 OK 19 92 - 21 - 1715/1.8=2, 1685/2.9=2...(7) HB3 LEU 30 - QD1 LEU 73 OK 15 41 - 35 - 1.8/1888=4, 1895=4...(17) QD2 LEU 23 - QD1 LEU 73 OK 12 34 - 35 - 1610/2.1=4, 1607/3.9=3...(17) HD3 LYS 26 - QD1 LEU 73 OK 11 41 - 26 - 1732=3, 1734/2.1=3...(9) QD1 LEU 87 - QD1 LEU 73 poor 8 41 - 19 - 3605/2.1=2, ~3200=2...(4) QD1 LEU 85 - QD1 LEU 73 poor 6 39 - 16 - 3605/2.1=1, ~3200=1 QD2 LEU 30 - QD1 LEU 73 poor 6 19 - 33 - 2.1/1902=3, 1916=3...(13) QB ALA 75 - HG2 LYS 26 lone 6 60 - 10 - 6108/2.9=2, 2.1/5764=1 QD1 LEU 76 - QD1 LEU 73 lone 3 32 - 10 - 3.1/6172=2, ~6174=2, ~6173=1 QB ALA 75 - QD1 LEU 73 poor 3 19 - 13 - 5743/4.6=5, ~5750=2...(5) Peak 1706 from cnoeabs.peaks (2.52, 0.75, 23.98 ppm; 4.08 A): 2 out of 8 assignments used, quality = 1.00: * HE2 LYS 26 + HG2 LYS 26 OK 100 100 - 100 - 3.9=100 HE3 LYS 26 + HG2 LYS 26 OK 100 100 - 100 - 3.9=100 HB2 TYR 32 - HG2 LYS 26 OK 37 100 - 37 - 1716/1.8=4, 1736/3.0=4...(14) HG2 MET 48 - HG2 LYS 26 OK 32 93 - 34 - 4856/1.8=4, ~4861=4...(14) HE2 LYS 26 - QD1 LEU 73 OK 12 41 - 30 - 3.0/1722=3, 3.0/1732=3...(15) HE3 LYS 26 - QD1 LEU 73 OK 12 41 - 30 - 3.0/1722=3, 3.0/1732=3...(15) HG2 MET 48 - QD1 LEU 73 poor 5 35 - 14 - 2433/3.1=3, ~2440=2...(5) HB2 TYR 32 - QD1 LEU 73 lone 4 41 - 9 - ~5708=3, ~4618=1, 2.5/4629=1 Peak 1707 from cnoeabs.peaks (2.52, 0.75, 23.98 ppm; 4.08 A): 2 out of 8 assignments used, quality = 1.00: * HE3 LYS 26 + HG2 LYS 26 OK 100 100 - 100 - 3.9=100 HE2 LYS 26 + HG2 LYS 26 OK 100 100 - 100 - 3.9=100 HB2 TYR 32 - HG2 LYS 26 OK 37 100 - 37 - 1716/1.8=4, 1736/3.0=4...(14) HG2 MET 48 - HG2 LYS 26 OK 33 97 - 35 - 4856/1.8=4, ~4861=4...(14) HE3 LYS 26 - QD1 LEU 73 OK 12 41 - 30 - 3.0/1722=3, 3.0/1732=3...(15) HE2 LYS 26 - QD1 LEU 73 OK 12 41 - 30 - 3.0/1722=3, 3.0/1732=3...(15) HG2 MET 48 - QD1 LEU 73 poor 5 37 - 14 - 2433/3.1=3, ~2440=2...(5) HB2 TYR 32 - QD1 LEU 73 lone 4 41 - 9 - ~5708=3, ~4618=1, 2.5/4629=1 Peak 1708 from cnoeabs.peaks (7.27, 1.21, 23.98 ppm; 3.85 A): 2 out of 3 assignments used, quality = 0.95: * H LYS 26 + HG3 LYS 26 OK 93 100 - 93 - 4.9=48, 1698/1.8=30...(18) H LYS 26 + HG2 LYS 14 OK 32 100 - 32 - 608=7, 3.0/1673=4...(10) H LYS 26 - HG3 LYS 44 OK 13 61 - 22 - 605/3.0=3, 608=3...(10) Peak 1709 from cnoeabs.peaks (4.10, 1.21, 23.98 ppm; 3.62 A): 2 out of 18 assignments used, quality = 0.99: * HA LYS 26 + HG3 LYS 26 OK 94 100 - 94 - 4.1=71, 3.0/1708=18...(17) HA LYS 14 + HG2 LYS 14 OK 84 100 - 84 - 4.0=77, 1219/3.0=7...(13) HA LYS 14 - HG3 LYS 26 OK 43 100 - 44 - 1217=6, 1699/1.8=6...(13) HA LYS 26 - HG2 LYS 14 OK 35 100 - 35 - 1673=6, 3.0/1708=6...(14) HA LYS 91 - HG2 LYS 14 OK 28 100 - 28 - 1218/1.8=5, 1217=4...(13) HB THR 83 - HG3 LYS 26 OK 25 81 - 32 - 3517=4, 1699/1.8=3...(14) HA LYS 26 - HG3 LYS 44 OK 19 61 - 31 - 1673=4, 1670/3.0=3...(15) HA LYS 91 - HG3 LYS 26 OK 18 100 - 18 - 1217=3, 1679/2.9=3...(7) HB2 SER 62 - HG2 LYS 14 OK 14 91 - 16 - ~5389=4, 2791/4.9=3...(6) HB2 SER 62 - HG3 LYS 26 OK 13 92 - 14 - 5390/2.9=3, 1699/1.8=2...(6) HB THR 83 - HG2 LYS 14 lone 8 80 - 10 - 3517=1 HA3 GLY 61 - HG2 LYS 14 poor 8 62 - 12 - ~5378=3, 5379/1.8=3...(4) HA LYS 91 - HG3 LYS 44 poor 7 61 - 11 - 1217=1 HA3 GLY 61 - HG3 LYS 26 poor 7 63 - 10 - ~5377=1, 1699/1.8=1 HA LYS 14 - HG3 LYS 44 lone 5 61 - 8 - 4.0/1257=1 HB2 SER 62 - HG3 LYS 44 lone 2 51 - 3 - HA3 GLY 61 - HG3 LYS 44 lone 1 31 - 4 - HB THR 83 - HG3 LYS 44 lone 1 42 - 2 - Peak 1710 from cnoeabs.peaks (1.31, 1.21, 23.98 ppm; 3.28 A): 2 out of 24 assignments used, quality = 1.00: * HB2 LYS 26 + HG3 LYS 26 OK 100 100 - 100 - 2.9=100 HD3 LYS 44 + HG3 LYS 44 OK 47 47 - 100 - 3.0=100 HB3 LYS 68 - HG3 LYS 26 OK 44 90 - 48 - 1700/1.8=5, 1690/2.9=4...(23) HB2 LYS 26 - HG2 LYS 14 OK 35 100 - 35 - 1683=5, 4.0/1708=4...(12) HD3 LYS 44 - HG3 LYS 26 OK 32 87 - 37 - 1690/2.9=3, 1700/1.8=3...(16) HB VAL 50 - HG3 LYS 26 OK 27 90 - 30 - 1700/1.8=3, ~6039=3...(15) HG3 ARG 45 - HG3 LYS 44 OK 27 57 - 47 - ~2281=6, 2346=5, ~2271=4...(21) HB2 LYS 26 - HG3 LYS 44 OK 24 61 - 39 - 1683=3, 2283/1.8=3...(24) HG3 LYS 31 - HG3 LYS 44 OK 20 57 - 36 - 1962/3.0=5, 2283/1.8=3...(16) HG3 LYS 56 - HG3 LYS 44 OK 16 30 - 53 - 2283/1.8=5, ~2642=4...(34) HG3 ARG 45 - HG3 LYS 26 OK 15 98 - 15 - 1690/2.9=2, 1700/1.8=2...(7) HG3 LYS 31 - HG3 LYS 26 OK 15 98 - 15 - 1690/2.9=2, 1700/1.8=2...(5) QB ALA 60 - HG3 LYS 26 OK 14 100 - 14 - 5369/3.0=2, 1690/2.9=2...(4) HB3 LYS 68 - HG3 LYS 44 OK 11 49 - 23 - 3047/1.8=3, ~3037=2...(9) HB3 LYS 68 - HG2 LYS 14 OK 10 89 - 11 - HD3 LYS 44 - HG2 LYS 14 poor 9 86 - 10 - 1.8/2301=1, 2311=1 HG3 LYS 56 - HG3 LYS 26 poor 7 60 - 12 - QB ALA 60 - HG3 LYS 44 lone 6 61 - 9 - 5364/3.8=2, ~6046=1 HG3 LYS 31 - HG2 LYS 14 lone 3 97 - 3 - QB ALA 60 - HG2 LYS 14 lone 2 100 - 2 - HG3 ARG 45 - HG2 LYS 14 lone 2 97 - 2 - HB VAL 50 - HG2 LYS 14 lone 2 89 - 2 - HB VAL 50 - HG3 LYS 44 lone 1 49 - 2 - HG3 LYS 56 - HG2 LYS 14 lone 1 59 - 1 - Peak 1711 from cnoeabs.peaks (1.52, 1.21, 23.98 ppm; 3.53 A): 1 out of 48 assignments used, quality = 1.00: * HB3 LYS 26 + HG3 LYS 26 OK 100 100 - 100 - 2.9=100 HG LEU 30 - HG3 LYS 26 OK 43 78 - 55 - 2.1/1712=5, 1902/1.8=5...(32) HB3 LYS 26 - HG2 LYS 14 OK 39 100 - 40 - 1693=5, 4.0/1708=4...(14) HB3 LYS 44 - HG3 LYS 44 OK 39 39 - 100 - 2.9=100 HG LEU 34 - HG3 LYS 26 OK 34 100 - 34 - 2095=5, 2.1/2102=3...(16) HG3 ARG 27 - HG3 LYS 26 OK 33 100 - 34 - 4.9/101=5, ~4543=2...(16) HB2 LEU 85 - HG3 LYS 26 OK 32 100 - 32 - 3.1/1715=2, 1701/1.8=2...(11) HB3 LEU 87 - HG3 LYS 26 OK 31 93 - 34 - 3.1/1715=2, 3.1/1714=2...(13) HD2 LYS 56 - HG3 LYS 44 OK 31 52 - 60 - 2662/1.8=5, ~2282=3...(41) QB ALA 71 - HG3 LYS 26 OK 29 100 - 29 - 5660/3.0=3, 1681/2.9=2...(14) HB2 LYS 56 - HG3 LYS 44 OK 29 48 - 61 - 2622/1.8=6, 2624/3.0=4...(38) HB2 ARG 45 - HG3 LYS 44 OK 28 57 - 49 - 6015=5, ~2281=5...(26) HD3 LYS 64 - HG3 LYS 44 OK 26 59 - 45 - 2879/1.8=7, ~2869=4...(26) HB3 LYS 26 - HG3 LYS 44 OK 26 61 - 43 - 1690/3.0=4, 1693=4...(27) HB3 LYS 44 - HG3 LYS 26 OK 25 76 - 33 - 2271=3, 2.9/2281=2...(20) QB ALA 72 - HG3 LYS 26 OK 22 71 - 31 - 5673/3.0=4, 5674/1.8=3...(13) HB2 LYS 56 - HG3 LYS 26 OK 16 89 - 18 - 1681/2.9=1, 2625/2.9=1 HD2 LYS 56 - HG3 LYS 26 OK 16 93 - 17 - 1681/2.9=1, 1701/1.8=1 HG LEU 34 - HG3 LYS 44 OK 14 61 - 24 - 2092/3.0=4, 4694/4.7=3...(8) HB2 ARG 45 - HG3 LYS 26 OK 13 98 - 14 - 1681/2.9=1 HG3 ARG 27 - HG3 LYS 44 OK 13 61 - 21 - 1794/3.0=3, ~2282=2...(9) HD3 LYS 64 - HG3 LYS 26 OK 12 99 - 12 - 2.9/5434=1 HB3 LYS 44 - HG2 LYS 14 poor 8 75 - 11 - 2271=1, 2.9/2281=1 HD2 LYS 17 - HG3 LYS 26 lone 6 98 - 6 - HD3 LYS 17 - HG3 LYS 26 lone 6 98 - 6 - HG2 GLU 37 - HG3 LYS 26 lone 6 90 - 7 - HG LEU 34 - HG2 LYS 14 lone 6 100 - 5 - HG3 ARG 27 - HG2 LYS 14 lone 4 100 - 4 - 4.9/3870=2 HG2 GLU 37 - HG3 LYS 44 lone 4 49 - 7 - QB ALA 71 - HG2 LYS 14 lone 3 100 - 3 - QB ALA 71 - HG3 LYS 44 lone 3 61 - 5 - HD3 LYS 64 - HG2 LYS 14 lone 3 99 - 3 - HB2 LEU 85 - HG2 LYS 14 lone 3 99 - 3 - HD2 LYS 17 - HG3 LYS 44 lone 3 57 - 4 - HD3 LYS 17 - HG3 LYS 44 lone 3 57 - 4 - HB3 LEU 87 - HG2 LYS 14 lone 2 92 - 3 - QB ALA 72 - HG2 LYS 14 lone 2 70 - 3 - HG LEU 30 - HG3 LYS 44 lone 2 41 - 5 - HG2 GLU 37 - HG2 LYS 14 lone 2 89 - 2 - HG LEU 30 - HG2 LYS 14 lone 2 77 - 2 - HB2 LYS 56 - HG2 LYS 14 lone 2 88 - 2 - HD2 LYS 56 - HG2 LYS 14 lone 2 92 - 2 - HB3 LEU 87 - HG3 LYS 44 lone 2 52 - 3 - HB2 ARG 45 - HG2 LYS 14 lone 2 97 - 2 - HD3 LYS 17 - HG2 LYS 14 lone 1 97 - 1 - HD2 LYS 17 - HG2 LYS 14 lone 1 97 - 1 - HB2 LEU 85 - HG3 LYS 44 lone 1 60 - 2 - QB ALA 72 - HG3 LYS 44 lone 1 36 - 3 - Peak 1712 from cnoeabs.peaks (0.75, 1.21, 23.98 ppm; 2.75 A): 1 out of 21 assignments used, quality = 1.00: * HG2 LYS 26 + HG3 LYS 26 OK 100 100 - 100 - 1.8=100 QD1 LEU 30 - HG3 LYS 26 OK 29 78 - 37 - 1722/3.0=3, 1732/3.0=3...(18) HG2 LYS 26 - HG2 LYS 14 OK 26 100 - 26 - 1703=5, ~1257=3, ~1248=3...(10) QG1 VAL 20 - HG3 LYS 26 OK 21 100 - 21 - 4397/2.9=3, 1732/3.0=2...(7) QG2 VAL 20 - HG3 LYS 26 OK 17 87 - 19 - ~4397=2, 1682/2.9=2...(9) HG2 LYS 26 - HG3 LYS 44 OK 16 61 - 27 - 1703=3, ~2281=2...(9) QD1 LEU 73 - HG3 LYS 26 OK 15 63 - 23 - 1703=2, 2.1/1714=2...(10) QD1 LEU 79 - HG3 LYS 26 poor 10 97 - 10 - 1732/3.0=1, 1682/2.9=1...(4) QD1 LEU 12 - HG3 LYS 26 lone 9 100 - 9 - QD1 LEU 12 - HG2 LYS 14 lone 6 100 - 6 - QD1 LEU 12 - HG3 LYS 44 lone 4 61 - 6 - 4265/3.8=1, 1190/1.8=1 QD1 LEU 73 - HG2 LYS 14 lone 2 62 - 3 - QG1 VAL 20 - HG3 LYS 44 lone 2 61 - 3 - QG1 VAL 20 - HG2 LYS 14 lone 1 100 - 1 - QD1 LEU 30 - HG2 LYS 14 lone 1 77 - 2 - QD1 LEU 79 - HG2 LYS 14 lone 1 96 - 1 - QG2 VAL 20 - HG3 LYS 44 lone 1 47 - 3 - QG2 VAL 20 - HG2 LYS 14 lone 1 86 - 1 - QD1 LEU 30 - HG3 LYS 44 lone 1 41 - 3 - QD1 LEU 79 - HG3 LYS 44 lone 0 55 - 1 - QD1 LEU 73 - HG3 LYS 44 lone 0 31 - 2 - Peak 1713 from cnoeabs.peaks (1.21, 1.21, 23.98 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 26 + HG3 LYS 26 OK 100 100 - 100 HG2 LYS 14 + HG2 LYS 14 OK 99 99 - 100 HG3 LYS 44 - HG3 LYS 44 OK 31 31 - 100 Peak 1714 from cnoeabs.peaks (0.85, 1.21, 23.98 ppm; 3.46 A): 2 out of 27 assignments used, quality = 1.00: * HD2 LYS 26 + HG3 LYS 26 OK 100 100 - 100 - 3.0=100 QD2 LEU 30 + HG3 LYS 26 OK 46 85 - 55 - 1916/1.8=5, 2.1/1712=5...(34) QD2 LEU 87 - HG3 LYS 26 OK 37 99 - 37 - 1704/1.8=3, 1734/3.0=3...(16) QD2 LEU 73 - HG3 LYS 26 OK 35 97 - 36 - 1704/1.8=3, 1734/3.0=3...(18) QD2 LEU 85 - HG3 LYS 26 OK 34 95 - 36 - 1704/1.8=3, 1734/3.0=3...(14) HD2 LYS 26 - HG2 LYS 14 OK 33 100 - 33 - 1723=5, 1719/4.0=4...(14) QG2 VAL 47 - HG3 LYS 26 OK 29 98 - 30 - 4840=7, 4835/2.9=3...(11) HD2 LYS 26 - HG3 LYS 44 OK 18 61 - 30 - 1723=3, 1720/3.0=3...(14) QB ALA 75 - HG3 LYS 26 OK 18 85 - 21 - 6108/2.9=3, 5.0/4523=3...(9) QG1 VAL 47 - HG3 LYS 26 OK 16 63 - 26 - 2.1/4840=5, 4840=3...(13) QG2 VAL 47 - HG2 LYS 14 OK 11 97 - 11 - 4840=3, 4841/1.8=2 QG2 ILE 35 - HG3 LYS 26 poor 8 68 - 11 - QG2 VAL 47 - HG3 LYS 44 poor 6 57 - 11 - 4840=4, 5971/4.7=2...(4) QD2 LEU 73 - HG2 LYS 14 lone 6 97 - 6 - QG1 VAL 47 - HG2 LYS 14 lone 5 62 - 8 - 2.1/4840=2, ~4841=1, 4840=1 QG2 ILE 35 - HG3 LYS 44 poor 5 34 - 15 - 3924/4.7=3, 2125/3.8=2...(6) QD2 LEU 87 - HG2 LYS 14 lone 3 99 - 3 - QB ALA 75 - HG2 LYS 14 lone 3 84 - 3 - QD2 LEU 85 - HG2 LYS 14 lone 3 94 - 3 - QG1 VAL 47 - HG3 LYS 44 lone 3 31 - 9 - 2.1/4840=3, 4840=2, 3.9/4823=1 QD2 LEU 73 - HG3 LYS 44 lone 2 56 - 4 - QD2 LEU 30 - HG2 LYS 14 lone 2 84 - 3 - QG2 ILE 35 - HG2 LYS 14 lone 2 67 - 3 - QD2 LEU 30 - HG3 LYS 44 lone 2 45 - 5 - QD2 LEU 87 - HG3 LYS 44 lone 2 59 - 3 - QD2 LEU 85 - HG3 LYS 44 lone 1 53 - 2 - QB ALA 75 - HG3 LYS 44 lone 1 45 - 2 - Peak 1715 from cnoeabs.peaks (0.90, 1.21, 23.98 ppm; 3.37 A): 2 out of 24 assignments used, quality = 1.00: * HD3 LYS 26 + HG3 LYS 26 OK 100 100 - 100 - 3.0=100 HB3 LEU 30 + HG3 LYS 26 OK 54 100 - 54 - 1705/1.8=6, 1725/3.0=4...(29) QD1 LEU 87 - HG3 LYS 26 OK 36 100 - 36 - 1705/1.8=3, 1725/3.0=3...(14) QD1 LEU 85 - HG3 LYS 26 OK 34 99 - 34 - 1705/1.8=3, 1725/3.0=3...(14) QD1 LEU 76 - HG3 LYS 26 OK 34 89 - 39 - 2.1/6114=9, 4.0/4523=4...(19) HD3 LYS 26 - HG2 LYS 14 OK 31 100 - 31 - 1733=4, 1729/4.0=4...(12) QD2 LEU 30 - HG3 LYS 26 OK 28 60 - 47 - 2.1/1712=4, 1916/1.8=4...(30) QD2 LEU 23 - HG3 LYS 26 OK 24 92 - 26 - 3.9/4523=4, 1705/1.8=2...(11) HD3 LYS 26 - HG3 LYS 44 OK 18 61 - 29 - 1733=3, 1730/3.0=2...(12) QD1 LEU 76 - HG2 LYS 14 OK 16 88 - 19 - 6206/1.8=7, 2.1/6114=4...(4) QB ALA 75 - HG3 LYS 26 poor 9 60 - 15 - 5.0/4523=3, 6108/2.9=2, ~5764=1 QD2 LEU 23 - HG2 LYS 14 lone 3 91 - 3 - HB3 LEU 30 - HG2 LYS 14 lone 3 100 - 3 - QD1 LEU 87 - HG2 LYS 14 lone 3 99 - 3 - QD1 LEU 85 - HG2 LYS 14 lone 3 98 - 3 - HB3 LEU 30 - HG3 LYS 44 lone 3 61 - 4 - QD1 LEU 76 - HG3 LYS 44 lone 2 48 - 5 - QD1 LEU 87 - HG3 LYS 44 lone 2 60 - 3 - QB ALA 75 - HG2 LYS 14 lone 1 59 - 2 - QD2 LEU 30 - HG2 LYS 14 lone 1 59 - 2 - QD1 LEU 85 - HG3 LYS 44 lone 1 58 - 2 - QD2 LEU 30 - HG3 LYS 44 lone 1 30 - 4 - QD2 LEU 23 - HG3 LYS 44 lone 1 51 - 2 - QB ALA 75 - HG3 LYS 44 lone 1 30 - 2 - Peak 1716 from cnoeabs.peaks (2.52, 1.21, 23.98 ppm; 4.11 A): 2 out of 12 assignments used, quality = 1.00: * HE2 LYS 26 + HG3 LYS 26 OK 100 100 - 100 - 3.9=100 HE3 LYS 26 + HG3 LYS 26 OK 100 100 - 100 - 3.9=100 HB2 TYR 32 - HG3 LYS 26 OK 41 100 - 41 - 1706/1.8=5, 2.5/4610=4...(16) HG2 MET 48 - HG3 LYS 26 OK 40 93 - 43 - 4856=5, 1.8/4861=5...(16) HE2 LYS 26 - HG2 LYS 14 OK 24 100 - 24 - 3.0/1723=4, 3.0/1733=4...(10) HE3 LYS 26 - HG2 LYS 14 OK 24 100 - 24 - 3.0/1723=4, 3.0/1733=4...(10) HE2 LYS 26 - HG3 LYS 44 OK 13 61 - 22 - 3.0/1733=2, 3.0/1723=2...(9) HE3 LYS 26 - HG3 LYS 44 OK 13 61 - 22 - 3.0/1733=2, 3.0/1723=2...(9) HG2 MET 48 - HG2 LYS 14 OK 12 92 - 13 - 4856=2, 1.8/4861=1...(4) HG2 MET 48 - HG3 LYS 44 poor 10 52 - 18 - 4855/1.8=2, ~4860=2...(7) HB2 TYR 32 - HG2 LYS 14 lone 5 100 - 4 - HB2 TYR 32 - HG3 LYS 44 lone 3 61 - 5 - Peak 1717 from cnoeabs.peaks (2.52, 1.21, 23.98 ppm; 4.11 A): 2 out of 12 assignments used, quality = 1.00: * HE3 LYS 26 + HG3 LYS 26 OK 100 100 - 100 - 3.9=100 HE2 LYS 26 + HG3 LYS 26 OK 100 100 - 100 - 3.9=100 HG2 MET 48 - HG3 LYS 26 OK 42 97 - 43 - 4856=6, 1.8/4861=5...(17) HB2 TYR 32 - HG3 LYS 26 OK 41 100 - 41 - 1706/1.8=5, 2.5/4610=4...(16) HE3 LYS 26 - HG2 LYS 14 OK 24 100 - 24 - 3.0/1723=4, 3.0/1733=4...(10) HE2 LYS 26 - HG2 LYS 14 OK 24 100 - 24 - 3.0/1723=4, 3.0/1733=4...(10) HE3 LYS 26 - HG3 LYS 44 OK 13 61 - 22 - 3.0/1733=2, 3.0/1723=2...(9) HE2 LYS 26 - HG3 LYS 44 OK 13 61 - 22 - 3.0/1733=2, 3.0/1723=2...(9) HG2 MET 48 - HG2 LYS 14 OK 13 96 - 13 - 4856=2, 1.8/4861=1...(4) HG2 MET 48 - HG3 LYS 44 OK 10 55 - 19 - 4855/1.8=2, ~4860=2...(7) HB2 TYR 32 - HG2 LYS 14 lone 4 99 - 4 - HB2 TYR 32 - HG3 LYS 44 lone 3 60 - 5 - Peak 1718 from cnoeabs.peaks (7.27, 0.85, 27.68 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 26 + HD2 LYS 26 OK 99 100 - 99 - 5.8=68, 1728/1.8=40...(25) Peak 1719 from cnoeabs.peaks (4.10, 0.85, 27.68 ppm; 3.88 A): 3 out of 6 assignments used, quality = 0.94: * HA LYS 26 + HD2 LYS 26 OK 87 100 - 87 - 5.2=41, 3.0/1718=20...(16) HA LYS 14 + HD2 LYS 26 OK 38 100 - 39 - 1729/1.8=8, 1699/3.0=5...(15) HB THR 83 + HD2 LYS 26 OK 25 81 - 30 - 1729/1.8=5, 3517/3.0=3...(13) HA LYS 91 - HD2 LYS 26 OK 16 100 - 16 - 1729/1.8=3, 1679/3.6=2...(8) HB2 SER 62 - HD2 LYS 26 OK 13 92 - 14 - 5390/3.6=4, 1729/1.8=3...(4) HA3 GLY 61 - HD2 LYS 26 poor 6 63 - 10 - 2.9/5373=2, 4.9/1720=1 Peak 1720 from cnoeabs.peaks (1.31, 0.85, 27.68 ppm; 4.11 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 - 3.6=100 HB3 LYS 68 + HD2 LYS 26 OK 55 90 - 61 - 1730/1.8=7, 1700/3.0=6...(32) HD3 LYS 44 - HD2 LYS 26 OK 35 87 - 41 - 1730/1.8=5, 1690/3.6=4...(19) HB VAL 50 - HD2 LYS 26 OK 35 90 - 39 - 2.1/6038=8, 1730/1.8=5...(12) QB ALA 60 - HD2 LYS 26 OK 22 100 - 22 - 5369=3, 1730/1.8=2...(9) HG3 ARG 45 - HD2 LYS 26 OK 19 98 - 20 - 1690/3.6=2, 1730/1.8=2...(9) HG3 LYS 31 - HD2 LYS 26 OK 19 98 - 19 - 1730/1.8=3, 1690/3.6=2...(8) HG3 LYS 56 - HD2 LYS 26 poor 7 60 - 11 - 1690/3.6=1 Peak 1721 from cnoeabs.peaks (1.52, 0.85, 27.68 ppm; 4.22 A): 2 out of 16 assignments used, quality = 1.00: * HB3 LYS 26 + HD2 LYS 26 OK 100 100 - 100 - 3.6=100 HG LEU 30 + HD2 LYS 26 OK 51 78 - 65 - 2.1/1722=8, 3.0/1725=6...(34) HB2 LEU 85 - HD2 LYS 26 OK 42 100 - 42 - 3.1/1725=4, 3584=3...(23) HB3 LEU 87 - HD2 LYS 26 OK 40 93 - 43 - 3.1/1725=4, 1731/1.8=3...(22) HG3 ARG 27 - HD2 LYS 26 OK 40 100 - 40 - 4.9/102=6, 6076/1.8=4...(16) HG LEU 34 - HD2 LYS 26 OK 35 100 - 35 - 2.1/4676=6, ~4676=5...(13) QB ALA 71 - HD2 LYS 26 OK 32 100 - 32 - 5660/1.8=5, 5653/3.0=4...(11) QB ALA 72 - HD2 LYS 26 OK 29 71 - 41 - 5673/1.8=6, ~5768=5...(14) HB3 LYS 44 - HD2 LYS 26 OK 24 76 - 31 - 2271/3.0=3, 3.7/1720=3...(17) HB2 ARG 45 - HD2 LYS 26 OK 16 98 - 16 - 2.9/1720=2, 3.6/6011=2...(7) HB2 LYS 56 - HD2 LYS 26 OK 15 89 - 17 - 1681/3.6=1, 1731/1.8=1...(4) HD2 LYS 56 - HD2 LYS 26 OK 14 93 - 15 - 1681/3.6=1, 1731/1.8=1 HD3 LYS 64 - HD2 LYS 26 lone 10 99 - 10 - ~5434=1 HD3 LYS 17 - HD2 LYS 26 lone 8 98 - 8 - HD2 LYS 17 - HD2 LYS 26 lone 8 98 - 8 - HG2 GLU 37 - HD2 LYS 26 lone 7 90 - 8 - 4779/3.0=2 Peak 1722 from cnoeabs.peaks (0.75, 0.85, 27.68 ppm; 3.10 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 - 3.0=100 QD1 LEU 30 - HD2 LYS 26 OK 37 78 - 48 - 1732/1.8=5, 3.1/1725=4...(25) QG1 VAL 20 - HD2 LYS 26 OK 24 100 - 24 - 1732/1.8=4, 4397/3.6=3...(10) QD1 LEU 73 - HD2 LYS 26 OK 19 63 - 30 - 1732/1.8=3, 3.1/3181=2...(12) QG2 VAL 20 - HD2 LYS 26 OK 18 87 - 21 - 1732/1.8=3, ~1732=2...(7) QD1 LEU 79 - HD2 LYS 26 OK 14 97 - 14 - 1732/1.8=2, 1682/3.6=1...(4) QD1 LEU 12 - HD2 LYS 26 OK 11 100 - 11 - 1732/1.8=2, 1682/3.6=1 Peak 1723 from cnoeabs.peaks (1.21, 0.85, 27.68 ppm; 3.65 A): 3 out of 8 assignments used, quality = 1.00: * HG3 LYS 26 + HD2 LYS 26 OK 100 100 - 100 - 3.0=100 HD2 LYS 68 + HD2 LYS 26 OK 47 83 - 57 - 1733/1.8=6, 1703/3.0=5...(36) HD3 LYS 68 + HD2 LYS 26 OK 46 81 - 57 - 1733/1.8=5, 1703/3.0=4...(36) HG2 LYS 14 - HD2 LYS 26 OK 35 100 - 35 - 4.0/1719=4, 1733/1.8=4...(16) QD1 LEU 34 - HD2 LYS 26 OK 32 97 - 33 - 4676=7, 4676/1.8=7...(13) QG2 THR 83 - HD2 LYS 26 OK 26 99 - 26 - 2.1/1719=4, 1733/1.8=3...(12) HG3 LYS 44 - HD2 LYS 26 OK 21 63 - 33 - 3.0/1720=3, 1733/1.8=2...(18) HG13 ILE 35 - HD2 LYS 26 lone 7 73 - 9 - Peak 1724 from cnoeabs.peaks (0.85, 0.85, 27.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 Peak 1725 from cnoeabs.peaks (0.90, 0.85, 27.68 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HD3 LYS 26 + HD2 LYS 26 OK 100 100 - 100 - 1.8=100 HB3 LEU 30 - HD2 LYS 26 OK 26 100 - 26 - 3.1/1722=2, 1705/3.0=2...(8) QD1 LEU 87 - HD2 LYS 26 OK 17 100 - 17 - 3653=3, 1705/3.0=1...(4) QD1 LEU 76 - HD2 LYS 26 OK 17 89 - 20 - 3.1/6174=3, 3.1/6173=2...(9) QD1 LEU 85 - HD2 LYS 26 OK 17 99 - 17 - 3653=2, 1705/3.0=1, 1715/3.0=1 QD2 LEU 30 - HD2 LYS 26 OK 13 60 - 22 - 2.1/1722=3, ~1732=2...(7) QD2 LEU 23 - HD2 LYS 26 OK 11 92 - 12 - 3.9/4524=2 QB ALA 75 - HD2 LYS 26 lone 5 60 - 8 - 5.0/4524=1 Peak 1726 from cnoeabs.peaks (2.52, 0.85, 27.68 ppm; 3.61 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 - 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 100 100 - 100 - 3.0=100 HB2 TYR 32 - HD2 LYS 26 OK 26 100 - 26 - 1736/1.8=4, 1706/3.0=3...(13) HG2 MET 48 - HD2 LYS 26 OK 23 93 - 25 - 1737/1.8=4, 1707/3.0=3...(11) Peak 1727 from cnoeabs.peaks (2.52, 0.85, 27.68 ppm; 3.61 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 26 + HD2 LYS 26 OK 100 100 - 100 - 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 - 3.0=100 HB2 TYR 32 - HD2 LYS 26 OK 26 100 - 26 - 1736/1.8=4, 1706/3.0=3...(13) HG2 MET 48 - HD2 LYS 26 OK 24 97 - 25 - 1737/1.8=4, 4856/3.0=3...(11) Peak 1728 from cnoeabs.peaks (7.27, 0.90, 27.68 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 26 + HD3 LYS 26 OK 99 100 - 99 - 5.8=69, 1718/1.8=40...(24) Peak 1729 from cnoeabs.peaks (4.10, 0.90, 27.68 ppm; 3.92 A): 2 out of 6 assignments used, quality = 0.92: * HA LYS 26 + HD3 LYS 26 OK 88 100 - 88 - 5.2=42, 3.0/1728=20...(16) HA LYS 14 + HD3 LYS 26 OK 39 100 - 39 - 1719/1.8=8, 1699/3.0=5...(15) HB THR 83 - HD3 LYS 26 OK 23 81 - 28 - 1719/1.8=5, 3517/3.0=4...(12) HA LYS 91 - HD3 LYS 26 OK 17 100 - 16 - 1719/1.8=3, 1679/3.6=2...(8) HB2 SER 62 - HD3 LYS 26 OK 13 92 - 14 - 5390/3.6=4, 1719/1.8=3...(4) HA3 GLY 61 - HD3 LYS 26 lone 6 63 - 9 - ~5373=2, 1719/1.8=1, 4.9/1730=1 Peak 1730 from cnoeabs.peaks (1.31, 0.90, 27.68 ppm; 3.97 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 26 + HD3 LYS 26 OK 100 100 - 100 - 3.6=100 HB3 LYS 68 + HD3 LYS 26 OK 53 90 - 59 - 1720/1.8=7, 1700/3.0=5...(33) HB VAL 50 - HD3 LYS 26 OK 39 90 - 43 - 2.1/5023=6, 2.1/5024=6...(16) HD3 LYS 44 - HD3 LYS 26 OK 32 87 - 38 - 1720/1.8=4, 1690/3.6=4...(17) HG3 LYS 31 - HD3 LYS 26 OK 19 98 - 20 - 1720/1.8=2, 4.6/128=2...(9) QB ALA 60 - HD3 LYS 26 OK 16 100 - 16 - 5369/1.8=3, 1690/3.6=2...(7) HG3 ARG 45 - HD3 LYS 26 OK 15 98 - 15 - 1720/1.8=2, 1690/3.6=2...(6) HG3 LYS 56 - HD3 LYS 26 poor 7 60 - 11 - 1690/3.6=1 Peak 1731 from cnoeabs.peaks (1.52, 0.90, 27.68 ppm; 4.39 A): 4 out of 16 assignments used, quality = 1.00: * HB3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 - 3.6=100 HG LEU 30 + HD3 LYS 26 OK 51 78 - 66 - 2.1/1732=8, ~1722=6...(33) HG3 ARG 27 + HD3 LYS 26 OK 46 100 - 46 - 4.9/103=6, 2.9/4546=4...(19) QB ALA 71 + HD3 LYS 26 OK 45 100 - 45 - 5660=7, 3.7/5668=5...(16) HB2 LEU 85 - HD3 LYS 26 OK 45 100 - 45 - 3.1/1734=4, 1721/1.8=4...(24) HB3 LEU 87 - HD3 LYS 26 OK 42 93 - 45 - 3.1/1734=4, 1721/1.8=3...(22) HG LEU 34 - HD3 LYS 26 OK 37 100 - 37 - ~4676=6, 2.1/4676=6...(15) QB ALA 72 - HD3 LYS 26 OK 34 71 - 48 - 2.1/5768=8, 2.9/5668=6...(16) HB3 LYS 44 - HD3 LYS 26 OK 25 76 - 33 - 2271/3.0=4, 3.7/1730=3...(18) HB2 LYS 56 - HD3 LYS 26 OK 18 89 - 20 - 4.6/5247=2, 1681/3.6=2...(5) HD2 LYS 56 - HD3 LYS 26 OK 16 93 - 17 - 1681/3.6=2, 1721/1.8=1 HB2 ARG 45 - HD3 LYS 26 OK 16 98 - 16 - ~6167=2, 2.9/1730=2...(7) HD3 LYS 64 - HD3 LYS 26 OK 11 99 - 11 - ~5434=1 HD3 LYS 17 - HD3 LYS 26 lone 9 98 - 9 - HD2 LYS 17 - HD3 LYS 26 lone 9 98 - 9 - HG2 GLU 37 - HD3 LYS 26 lone 8 90 - 8 - 4779/3.0=2 Peak 1732 from cnoeabs.peaks (0.75, 0.90, 27.68 ppm; 3.26 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 26 + HD3 LYS 26 OK 100 100 - 100 - 3.0=100 QD1 LEU 30 - HD3 LYS 26 OK 41 78 - 52 - 1722/1.8=6, 1907=5...(27) QG1 VAL 20 - HD3 LYS 26 OK 29 100 - 29 - 1722/1.8=4, 4397/3.6=4...(12) QG2 VAL 20 - HD3 LYS 26 OK 22 87 - 26 - 3.2/4388=3, 1722/1.8=3...(12) QD1 LEU 73 - HD3 LYS 26 OK 19 63 - 30 - 1722/1.8=3, 2.1/1734=3...(10) QD1 LEU 79 - HD3 LYS 26 OK 17 97 - 18 - 1722/1.8=2, 1682/3.6=1...(5) QD1 LEU 12 - HD3 LYS 26 OK 12 100 - 12 - 1722/1.8=2, 1682/3.6=1...(4) Peak 1733 from cnoeabs.peaks (1.21, 0.90, 27.68 ppm; 3.64 A): 3 out of 8 assignments used, quality = 1.00: * HG3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 - 3.0=100 HD2 LYS 68 + HD3 LYS 26 OK 48 83 - 58 - 1723/1.8=5, 1703/3.0=5...(36) HD3 LYS 68 + HD3 LYS 26 OK 46 81 - 57 - 1723/1.8=5, 1703/3.0=4...(36) HG2 LYS 14 - HD3 LYS 26 OK 35 100 - 35 - 4.0/1729=4, 1723/1.8=4...(16) QD1 LEU 34 - HD3 LYS 26 OK 32 97 - 33 - 4676/1.8=7, 4676=6...(13) QG2 THR 83 - HD3 LYS 26 OK 28 99 - 28 - 2.1/1729=4, ~5936=4...(13) HG3 LYS 44 - HD3 LYS 26 OK 21 63 - 33 - 3.0/1730=3, 1723/1.8=2...(19) HG13 ILE 35 - HD3 LYS 26 lone 6 73 - 8 - Peak 1734 from cnoeabs.peaks (0.85, 0.90, 27.68 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * HD2 LYS 26 + HD3 LYS 26 OK 100 100 - 100 - 1.8=100 QD2 LEU 30 - HD3 LYS 26 OK 21 85 - 25 - 2.1/1907=3, 2.1/1900=2...(9) QD2 LEU 87 - HD3 LYS 26 OK 17 99 - 17 - 3659=2, 1704/3.0=1, 1714/3.0=1 QD2 LEU 85 - HD3 LYS 26 OK 15 95 - 16 - 3659=2, 1704/3.0=1 QD2 LEU 73 - HD3 LYS 26 OK 14 97 - 14 - 2.1/1732=1, 3201/3.0=1 QB ALA 75 - HD3 LYS 26 poor 9 85 - 11 - 5.0/4525=1, 6108/3.6=1 QG2 VAL 47 - HD3 LYS 26 lone 9 98 - 9 - 4840/3.0=3, 4835/3.6=1 QG1 VAL 47 - HD3 LYS 26 lone 4 63 - 7 - ~4840=1, 4840/3.0=1 QG2 ILE 35 - HD3 LYS 26 lone 2 68 - 3 - Peak 1735 from cnoeabs.peaks (0.90, 0.90, 27.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 Peak 1736 from cnoeabs.peaks (2.52, 0.90, 27.68 ppm; 3.67 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 26 + HD3 LYS 26 OK 100 100 - 100 - 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 - 3.0=100 HB2 TYR 32 - HD3 LYS 26 OK 30 100 - 30 - 4.4/4623=4, 1726/1.8=4...(14) HG2 MET 48 - HD3 LYS 26 OK 24 93 - 26 - 1727/1.8=4, 1707/3.0=3...(11) Peak 1737 from cnoeabs.peaks (2.52, 0.90, 27.68 ppm; 3.67 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 - 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 - 100 - 3.0=100 HB2 TYR 32 - HD3 LYS 26 OK 29 100 - 30 - 4.4/4623=4, 1726/1.8=4...(14) HG2 MET 48 - HD3 LYS 26 OK 25 97 - 26 - 1727/1.8=4, 4856/3.0=3...(11) Peak 1739 from cnoeabs.peaks (4.10, 2.52, 42.02 ppm; 4.97 A): 2 out of 12 assignments used, quality = 0.99: * HA LYS 26 + HE2 LYS 26 OK 91 100 - 91 - 6.6=43, 1729/3.0=20...(13) HA LYS 26 + HE3 LYS 26 OK 91 100 - 91 - 6.6=43, 1729/3.0=20...(13) HA LYS 14 - HE2 LYS 26 OK 39 100 - 39 - 1729/3.0=9, 1719/3.0=9...(8) HA LYS 14 - HE3 LYS 26 OK 39 100 - 39 - 1729/3.0=9, 1719/3.0=9...(8) HB THR 83 - HE2 LYS 26 OK 27 81 - 34 - 5936/3.0=7, 1729/3.0=5...(12) HB THR 83 - HE3 LYS 26 OK 27 80 - 34 - 5936/3.0=7, 1729/3.0=5...(12) HA LYS 91 - HE2 LYS 26 OK 20 100 - 20 - 1729/3.0=4, 1719/3.0=4...(7) HA LYS 91 - HE3 LYS 26 OK 20 100 - 20 - 1729/3.0=4, 1719/3.0=4...(7) HB2 SER 62 - HE2 LYS 26 OK 17 92 - 18 - 5390/4.9=5, 1729/3.0=3...(7) HB2 SER 62 - HE3 LYS 26 OK 17 91 - 18 - 5390/4.9=5, 1729/3.0=3...(7) HA3 GLY 61 - HE2 LYS 26 poor 7 63 - 11 - ~5373=2, 1719/3.0=1...(6) HA3 GLY 61 - HE3 LYS 26 poor 7 62 - 11 - ~5373=2, 1719/3.0=1...(6) Peak 1740 from cnoeabs.peaks (1.31, 2.52, 42.02 ppm; 5.88 A): 6 out of 16 assignments used, quality = 1.00: * HB2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 - 4.9=100 HB2 LYS 26 + HE3 LYS 26 OK 100 100 - 100 - 4.9=100 HB3 LYS 68 + HE2 LYS 26 OK 74 90 - 81 - 1730/3.0=9, 5547=9...(27) HB3 LYS 68 + HE3 LYS 26 OK 73 90 - 82 - 5547=9, 1730/3.0=9...(27) HB VAL 50 + HE2 LYS 26 OK 51 90 - 57 - 5010=9, 5010/1.8=8...(15) HB VAL 50 + HE3 LYS 26 OK 51 90 - 56 - 5010=9, 5010/1.8=8...(15) HD3 LYS 44 - HE2 LYS 26 OK 35 87 - 41 - 1720/3.0=6, 1730/3.0=6...(14) HD3 LYS 44 - HE3 LYS 26 OK 35 86 - 41 - 1720/3.0=6, 1730/3.0=6...(14) QB ALA 60 - HE2 LYS 26 OK 27 100 - 27 - ~5359=4, 1720/3.0=4...(12) QB ALA 60 - HE3 LYS 26 OK 27 100 - 26 - 1720/3.0=4, 1730/3.0=3...(12) HG3 LYS 31 - HE2 LYS 26 OK 26 98 - 26 - 1730/3.0=3, 1720/3.0=3...(10) HG3 LYS 31 - HE3 LYS 26 OK 26 98 - 26 - 1730/3.0=3, 1720/3.0=3...(10) HG3 ARG 45 - HE2 LYS 26 OK 24 98 - 24 - 6167/3.0=4, 1690/4.9=3...(9) HG3 ARG 45 - HE3 LYS 26 OK 24 98 - 24 - 6167/3.0=4, 1690/4.9=3...(9) HG3 LYS 56 - HE2 LYS 26 poor 10 60 - 16 - 1690/4.9=1, 1700/3.9=1...(5) HG3 LYS 56 - HE3 LYS 26 poor 10 60 - 16 - 1690/4.9=1, 1700/3.9=1...(5) Peak 1741 from cnoeabs.peaks (1.52, 2.52, 42.02 ppm; 5.58 A): 6 out of 32 assignments used, quality = 1.00: * HB3 LYS 26 + HE2 LYS 26 OK 100 100 - 100 - 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 - 4.9=100 HG LEU 30 + HE2 LYS 26 OK 49 78 - 63 - ~1722=6, ~1732=6...(24) HG LEU 30 + HE3 LYS 26 OK 49 78 - 63 - ~1722=6, ~1732=6...(24) HB2 LEU 85 + HE2 LYS 26 OK 46 100 - 46 - 1721/3.0=4, 1731/3.0=4...(25) HB2 LEU 85 + HE3 LYS 26 OK 46 99 - 46 - 1721/3.0=4, 1731/3.0=4...(25) HB3 LEU 87 - HE2 LYS 26 OK 44 93 - 48 - 1721/3.0=4, 1731/3.0=4...(23) HB3 LEU 87 - HE3 LYS 26 OK 44 93 - 48 - 1721/3.0=4, 1731/3.0=4...(23) QB ALA 71 - HE3 LYS 26 OK 43 100 - 43 - 5653=9, 5653/1.8=8...(13) QB ALA 71 - HE2 LYS 26 OK 43 100 - 43 - 5653=9, 5653/1.8=8...(13) HG LEU 34 - HE3 LYS 26 OK 40 100 - 40 - ~4676=7, 2095/3.9=4...(16) HG LEU 34 - HE2 LYS 26 OK 40 100 - 40 - ~4676=7, 2095/3.9=4...(16) HG3 ARG 27 - HE2 LYS 26 OK 39 100 - 40 - 6076/3.0=4, 3.0/4531=4...(13) HG3 ARG 27 - HE3 LYS 26 OK 39 100 - 40 - 6076/3.0=4, 3.0/4531=4...(13) QB ALA 72 - HE2 LYS 26 OK 33 71 - 46 - ~5768=6, 5673/3.0=6...(16) QB ALA 72 - HE3 LYS 26 OK 33 70 - 46 - ~5768=6, 5673/3.0=6...(16) HB3 LYS 44 - HE2 LYS 26 OK 21 76 - 28 - 2271/3.9=4, 2273/4.9=3...(14) HB3 LYS 44 - HE3 LYS 26 OK 21 75 - 28 - 2271/3.9=4, 2273/4.9=3...(14) HB2 ARG 45 - HE2 LYS 26 OK 18 98 - 18 - ~6167=3, ~1720=2...(8) HB2 ARG 45 - HE3 LYS 26 OK 18 98 - 18 - ~6167=3, ~1720=2...(8) HB2 LYS 56 - HE2 LYS 26 OK 17 89 - 18 - 1681/4.9=2, 1731/3.0=2...(5) HB2 LYS 56 - HE3 LYS 26 OK 16 88 - 19 - 1681/4.9=2, 1731/3.0=2...(5) HD2 LYS 56 - HE2 LYS 26 OK 16 93 - 17 - 1681/4.9=2, 1731/3.0=1...(4) HD2 LYS 56 - HE3 LYS 26 OK 16 93 - 17 - 1681/4.9=2, 1731/3.0=1...(4) HD3 LYS 64 - HE2 LYS 26 OK 14 99 - 14 - 2882/5771=2, 5447/4719=2 HD3 LYS 64 - HE3 LYS 26 OK 13 99 - 13 - 2882/5771=2, 5447/4719=2 HG2 GLU 37 - HE3 LYS 26 poor 10 90 - 11 - 4779/3.9=3 HG2 GLU 37 - HE2 LYS 26 poor 10 90 - 11 - 4779/3.9=3 HD2 LYS 17 - HE3 LYS 26 lone 10 98 - 10 - HD3 LYS 17 - HE3 LYS 26 lone 10 98 - 10 - HD2 LYS 17 - HE2 LYS 26 lone 10 98 - 10 - HD3 LYS 17 - HE2 LYS 26 lone 10 98 - 10 - Peak 1742 from cnoeabs.peaks (0.75, 2.52, 42.02 ppm; 3.45 A): 2 out of 14 assignments used, quality = 0.94: * HG2 LYS 26 + HE2 LYS 26 OK 76 100 - 76 - 3.9=68, 1.8/1743=6...(7) HG2 LYS 26 + HE3 LYS 26 OK 76 100 - 76 - 3.9=68, 1.8/1743=6...(7) QD1 LEU 30 - HE2 LYS 26 OK 28 78 - 36 - 1722/3.0=5, 1732/3.0=5...(19) QD1 LEU 30 - HE3 LYS 26 OK 27 78 - 35 - 1722/3.0=5, 1732/3.0=5...(19) QG1 VAL 20 - HE2 LYS 26 OK 22 100 - 22 - 1732/3.0=3, 1722/3.0=3...(9) QG1 VAL 20 - HE3 LYS 26 OK 22 100 - 22 - 1732/3.0=3, 1722/3.0=3...(9) QG2 VAL 20 - HE2 LYS 26 OK 16 87 - 18 - 1732/3.0=3, 1722/3.0=2...(9) QG2 VAL 20 - HE3 LYS 26 OK 16 86 - 18 - 1732/3.0=3, 1722/3.0=2...(9) QD1 LEU 79 - HE2 LYS 26 OK 14 97 - 15 - 5868/4719=2, 1732/3.0=2...(6) QD1 LEU 79 - HE3 LYS 26 OK 14 96 - 15 - 5868/4719=2, 1732/3.0=2...(6) QD1 LEU 73 - HE2 LYS 26 OK 14 63 - 22 - 1722/3.0=2, 1732/3.0=2...(14) QD1 LEU 73 - HE3 LYS 26 OK 14 62 - 22 - 1722/3.0=2, 1732/3.0=2...(14) QD1 LEU 12 - HE3 LYS 26 lone 8 100 - 8 - 1722/3.0=1, 1732/3.0=1 QD1 LEU 12 - HE2 LYS 26 lone 8 100 - 8 - 1722/3.0=1, 1732/3.0=1 Peak 1743 from cnoeabs.peaks (1.21, 2.52, 42.02 ppm; 3.69 A): 6 out of 16 assignments used, quality = 1.00: * HG3 LYS 26 + HE2 LYS 26 OK 88 100 - 88 - 3.9=83, 1.8/1742=8...(8) HG3 LYS 26 + HE3 LYS 26 OK 88 100 - 88 - 3.9=83, 1.8/1742=8...(7) HD2 LYS 68 + HE2 LYS 26 OK 47 83 - 56 - 3.0/5549=5, 1733/3.0=4...(27) HD2 LYS 68 + HE3 LYS 26 OK 46 82 - 56 - 3.0/5549=5, 1733/3.0=4...(27) HD3 LYS 68 + HE2 LYS 26 OK 45 81 - 56 - 3.0/5549=5, 1733/3.0=4...(27) HD3 LYS 68 + HE3 LYS 26 OK 45 80 - 56 - 3.0/5549=5, 3.0/5548=4...(27) QD1 LEU 34 - HE3 LYS 26 OK 23 96 - 24 - 4676/3.0=5, 4676/3.0=5...(6) QD1 LEU 34 - HE2 LYS 26 OK 23 97 - 24 - 4676/3.0=5, 4676/3.0=5...(6) HG2 LYS 14 - HE2 LYS 26 OK 21 100 - 21 - 1723/3.0=3, 1733/3.0=3...(10) HG2 LYS 14 - HE3 LYS 26 OK 21 100 - 21 - 1723/3.0=3, 1733/3.0=3...(10) QG2 THR 83 - HE2 LYS 26 OK 20 99 - 20 - ~5936=3, 1733/3.0=3...(11) QG2 THR 83 - HE3 LYS 26 OK 20 99 - 20 - ~5936=3, 1733/3.0=3...(11) HG3 LYS 44 - HE2 LYS 26 OK 11 63 - 18 - 1733/3.0=2, 1723/3.0=2...(9) HG3 LYS 44 - HE3 LYS 26 OK 11 62 - 18 - 1733/3.0=2, 1723/3.0=2...(9) HG13 ILE 35 - HE3 LYS 26 lone 5 73 - 7 - HG13 ILE 35 - HE2 LYS 26 lone 5 73 - 7 - Peak 1744 from cnoeabs.peaks (0.85, 2.52, 42.02 ppm; 3.34 A): 2 out of 18 assignments used, quality = 1.00: * HD2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 - 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 - 100 - 3.0=100 QD2 LEU 30 - HE2 LYS 26 OK 30 85 - 35 - 1734/3.0=4, 1916/3.9=3...(21) QD2 LEU 30 - HE3 LYS 26 OK 30 84 - 35 - 1734/3.0=4, 1916/3.9=3...(21) QD2 LEU 87 - HE2 LYS 26 OK 23 99 - 23 - 1734/3.0=3, 1704/3.9=2...(7) QD2 LEU 87 - HE3 LYS 26 OK 23 99 - 23 - 1734/3.0=3, 1704/3.9=2...(7) QD2 LEU 73 - HE2 LYS 26 OK 22 97 - 22 - 1734/3.0=2, 1704/3.9=2...(9) QD2 LEU 73 - HE3 LYS 26 OK 21 97 - 22 - 1734/3.0=2, 1704/3.9=2...(9) QD2 LEU 85 - HE2 LYS 26 OK 21 95 - 22 - 1734/3.0=3, 1704/3.9=2...(7) QD2 LEU 85 - HE3 LYS 26 OK 20 94 - 22 - 1734/3.0=3, 1704/3.9=2...(7) QG2 VAL 47 - HE3 LYS 26 OK 14 98 - 14 - 4840/3.9=4, 1734/3.0=2...(6) QG2 VAL 47 - HE2 LYS 26 OK 14 98 - 14 - 4840/3.9=4, 1734/3.0=2...(6) QB ALA 75 - HE2 LYS 26 OK 11 85 - 13 - 6108/4.9=2, 5.0/4532=2...(4) QB ALA 75 - HE3 LYS 26 OK 11 84 - 13 - 6108/4.9=2, 5.0/4532=2...(4) QG1 VAL 47 - HE3 LYS 26 lone 6 62 - 9 - 4840/3.9=2, 4.3/718=2 QG1 VAL 47 - HE2 LYS 26 lone 6 63 - 9 - 4840/3.9=2, 4.3/718=1 QG2 ILE 35 - HE3 LYS 26 lone 4 68 - 5 - QG2 ILE 35 - HE2 LYS 26 lone 4 68 - 5 - Peak 1745 from cnoeabs.peaks (0.90, 2.52, 42.02 ppm; 3.33 A): 2 out of 16 assignments used, quality = 1.00: * HD3 LYS 26 + HE2 LYS 26 OK 100 100 - 100 - 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 - 3.0=100 HB3 LEU 30 - HE2 LYS 26 OK 34 100 - 35 - 1725/3.0=4, 1895/3.9=3...(16) HB3 LEU 30 - HE3 LYS 26 OK 34 100 - 35 - 1725/3.0=4, 1895/3.9=3...(16) QD1 LEU 76 - HE2 LYS 26 OK 28 89 - 32 - 2.1/5771=8, ~5771=5...(14) QD1 LEU 76 - HE3 LYS 26 OK 28 88 - 32 - 2.1/5771=8, ~5771=5...(14) QD1 LEU 87 - HE2 LYS 26 OK 23 100 - 23 - 1725/3.0=3, 1705/3.9=2...(7) QD1 LEU 87 - HE3 LYS 26 OK 23 99 - 23 - 1725/3.0=3, 1705/3.9=2...(7) QD1 LEU 85 - HE2 LYS 26 OK 22 99 - 22 - 1725/3.0=3, 1705/3.9=2...(7) QD1 LEU 85 - HE3 LYS 26 OK 22 98 - 22 - 1725/3.0=3, 1705/3.9=2...(7) QD2 LEU 23 - HE2 LYS 26 OK 17 92 - 18 - 3.9/4532=2, 1725/3.0=2...(10) QD2 LEU 23 - HE3 LYS 26 OK 17 91 - 18 - 3.9/4532=2, 1725/3.0=2...(9) QD2 LEU 30 - HE2 LYS 26 OK 17 60 - 28 - 2.1/1742=2, 1725/3.0=2...(18) QD2 LEU 30 - HE3 LYS 26 OK 17 60 - 28 - 2.1/1752=2, 1725/3.0=2...(18) QB ALA 75 - HE2 LYS 26 lone 5 60 - 9 - 5.0/4532=2, 6108/4.9=1 QB ALA 75 - HE3 LYS 26 lone 5 60 - 9 - 5.0/4532=2, 6108/4.9=1 Peak 1746 from cnoeabs.peaks (2.52, 2.52, 42.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 Peak 1747 from cnoeabs.peaks (2.52, 2.52, 42.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 Reference assignment not found: HE3 LYS 26 - HE2 LYS 26 Peak 1749 from cnoeabs.peaks (4.10, 2.52, 42.02 ppm; 4.97 A): 2 out of 12 assignments used, quality = 0.99: * HA LYS 26 + HE3 LYS 26 OK 91 100 - 91 - 6.6=43, 1729/3.0=20...(13) HA LYS 26 + HE2 LYS 26 OK 91 100 - 91 - 6.6=43, 1729/3.0=20...(13) HA LYS 14 - HE3 LYS 26 OK 39 100 - 39 - 1729/3.0=9, 1719/3.0=9...(8) HA LYS 14 - HE2 LYS 26 OK 39 100 - 39 - 1729/3.0=9, 1719/3.0=9...(8) HB THR 83 - HE3 LYS 26 OK 27 81 - 34 - 5936/3.0=7, 1729/3.0=5...(12) HB THR 83 - HE2 LYS 26 OK 27 80 - 34 - 5936/3.0=7, 1729/3.0=5...(12) HA LYS 91 - HE3 LYS 26 OK 20 100 - 20 - 1729/3.0=4, 1719/3.0=4...(7) HA LYS 91 - HE2 LYS 26 OK 20 100 - 20 - 1729/3.0=4, 1719/3.0=4...(7) HB2 SER 62 - HE3 LYS 26 OK 17 92 - 18 - 5390/4.9=5, 1729/3.0=3...(7) HB2 SER 62 - HE2 LYS 26 OK 17 91 - 18 - 5390/4.9=5, 1729/3.0=3...(7) HA3 GLY 61 - HE3 LYS 26 poor 7 63 - 11 - ~5373=2, 1719/3.0=1...(6) HA3 GLY 61 - HE2 LYS 26 poor 7 62 - 11 - ~5373=2, 1719/3.0=1...(6) Peak 1750 from cnoeabs.peaks (1.31, 2.52, 42.02 ppm; 5.88 A): 6 out of 16 assignments used, quality = 1.00: * HB2 LYS 26 + HE3 LYS 26 OK 100 100 - 100 - 4.9=100 HB2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 - 4.9=100 HB3 LYS 68 + HE3 LYS 26 OK 74 90 - 82 - 5547=9, 1730/3.0=9...(27) HB3 LYS 68 + HE2 LYS 26 OK 73 90 - 82 - 1730/3.0=9, 5547=9...(27) HB VAL 50 + HE3 LYS 26 OK 51 90 - 56 - 5010=9, 5010/1.8=8...(15) HB VAL 50 + HE2 LYS 26 OK 51 90 - 56 - 5010=9, 5010/1.8=8...(15) HD3 LYS 44 - HE3 LYS 26 OK 35 87 - 41 - 1720/3.0=6, 1730/3.0=6...(14) HD3 LYS 44 - HE2 LYS 26 OK 35 86 - 41 - 1720/3.0=6, 1730/3.0=6...(14) QB ALA 60 - HE2 LYS 26 OK 27 100 - 27 - ~5359=4, 1720/3.0=4...(12) QB ALA 60 - HE3 LYS 26 OK 27 100 - 27 - 1720/3.0=4, 2.1/5359=3...(12) HG3 LYS 31 - HE3 LYS 26 OK 26 98 - 26 - 1730/3.0=3, 1720/3.0=3...(10) HG3 LYS 31 - HE2 LYS 26 OK 25 98 - 26 - 1730/3.0=3, 1720/3.0=3...(10) HG3 ARG 45 - HE3 LYS 26 OK 24 98 - 24 - 6167/3.0=4, 1690/4.9=3...(9) HG3 ARG 45 - HE2 LYS 26 OK 24 98 - 24 - 6167/3.0=4, 1690/4.9=3...(9) HG3 LYS 56 - HE3 LYS 26 poor 10 60 - 16 - 1690/4.9=1, 1700/3.9=1...(5) HG3 LYS 56 - HE2 LYS 26 poor 10 60 - 16 - 1690/4.9=1, 1700/3.9=1...(5) Peak 1751 from cnoeabs.peaks (1.52, 2.52, 42.02 ppm; 5.58 A): 6 out of 32 assignments used, quality = 1.00: * HB3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 - 4.9=100 HB3 LYS 26 + HE2 LYS 26 OK 100 100 - 100 - 4.9=100 HG LEU 30 + HE3 LYS 26 OK 49 78 - 63 - ~1722=6, ~1732=6...(24) HG LEU 30 + HE2 LYS 26 OK 49 78 - 63 - ~1722=6, ~1732=6...(24) HB2 LEU 85 + HE3 LYS 26 OK 46 100 - 46 - 1721/3.0=4, 1731/3.0=4...(25) HB2 LEU 85 + HE2 LYS 26 OK 46 99 - 46 - 1721/3.0=4, 1731/3.0=4...(25) HB3 LEU 87 - HE3 LYS 26 OK 44 93 - 48 - 1721/3.0=4, 1731/3.0=4...(23) HB3 LEU 87 - HE2 LYS 26 OK 44 93 - 48 - 1721/3.0=4, 1731/3.0=4...(23) QB ALA 71 - HE3 LYS 26 OK 43 100 - 43 - 5653=9, 5653/1.8=8...(14) QB ALA 71 - HE2 LYS 26 OK 43 100 - 43 - 5653=9, 5653/1.8=8...(13) HG LEU 34 - HE3 LYS 26 OK 40 100 - 40 - ~4676=7, 2095/3.9=4...(16) HG LEU 34 - HE2 LYS 26 OK 40 100 - 40 - ~4676=7, 2095/3.9=4...(16) HG3 ARG 27 - HE3 LYS 26 OK 39 100 - 40 - 6076/3.0=4, 3.0/4531=4...(13) HG3 ARG 27 - HE2 LYS 26 OK 39 100 - 40 - 6076/3.0=4, 3.0/4531=4...(13) QB ALA 72 - HE3 LYS 26 OK 33 71 - 46 - ~5768=6, 5673/3.0=6...(16) QB ALA 72 - HE2 LYS 26 OK 33 70 - 46 - ~5768=6, 5673/3.0=6...(16) HB3 LYS 44 - HE3 LYS 26 OK 21 76 - 28 - 2271/3.9=4, 2273/4.9=3...(14) HB3 LYS 44 - HE2 LYS 26 OK 21 75 - 28 - 2271/3.9=4, 2273/4.9=3...(14) HB2 ARG 45 - HE3 LYS 26 OK 18 98 - 18 - ~6167=3, ~1720=2...(8) HB2 ARG 45 - HE2 LYS 26 OK 18 98 - 18 - ~6167=3, ~1720=2...(8) HB2 LYS 56 - HE3 LYS 26 OK 17 89 - 19 - 1681/4.9=2, 1731/3.0=2...(5) HB2 LYS 56 - HE2 LYS 26 OK 16 88 - 18 - 1681/4.9=2, 1731/3.0=2...(5) HD2 LYS 56 - HE3 LYS 26 OK 16 93 - 17 - 1681/4.9=2, 1731/3.0=1...(4) HD2 LYS 56 - HE2 LYS 26 OK 16 93 - 17 - 1681/4.9=2, 1731/3.0=1...(4) HD3 LYS 64 - HE2 LYS 26 OK 14 99 - 14 - 2882/5771=2, 5447/4719=2 HD3 LYS 64 - HE3 LYS 26 OK 13 99 - 13 - 2882/5771=2, 5447/4719=2 HG2 GLU 37 - HE3 LYS 26 OK 10 90 - 11 - 4779/3.9=3 HG2 GLU 37 - HE2 LYS 26 poor 10 90 - 11 - 4779/3.9=3 HD2 LYS 17 - HE3 LYS 26 lone 10 98 - 10 - HD3 LYS 17 - HE3 LYS 26 lone 10 98 - 10 - HD2 LYS 17 - HE2 LYS 26 lone 10 98 - 10 - HD3 LYS 17 - HE2 LYS 26 lone 10 98 - 10 - Peak 1752 from cnoeabs.peaks (0.75, 2.52, 42.02 ppm; 3.45 A): 2 out of 14 assignments used, quality = 0.94: * HG2 LYS 26 + HE3 LYS 26 OK 76 100 - 76 - 3.9=68, 1.8/1753=6...(7) HG2 LYS 26 + HE2 LYS 26 OK 76 100 - 76 - 3.9=68, 1.8/1743=6...(7) QD1 LEU 30 - HE3 LYS 26 OK 28 78 - 35 - 1722/3.0=5, 1732/3.0=5...(19) QD1 LEU 30 - HE2 LYS 26 OK 27 78 - 35 - 1722/3.0=5, 1732/3.0=5...(19) QG1 VAL 20 - HE3 LYS 26 OK 22 100 - 22 - 1732/3.0=3, 1722/3.0=3...(9) QG1 VAL 20 - HE2 LYS 26 OK 22 100 - 22 - 1732/3.0=3, 1722/3.0=3...(9) QG2 VAL 20 - HE3 LYS 26 OK 16 87 - 18 - 1732/3.0=3, 1722/3.0=2...(9) QG2 VAL 20 - HE2 LYS 26 OK 16 86 - 18 - 1732/3.0=3, 1722/3.0=2...(9) QD1 LEU 79 - HE3 LYS 26 OK 14 97 - 15 - 5868/4719=2, 1732/3.0=2...(6) QD1 LEU 79 - HE2 LYS 26 OK 14 96 - 15 - 5868/4719=2, 1732/3.0=2...(6) QD1 LEU 73 - HE3 LYS 26 OK 14 63 - 22 - 1722/3.0=2, 1732/3.0=2...(14) QD1 LEU 73 - HE2 LYS 26 OK 14 62 - 22 - 1722/3.0=2, 1732/3.0=2...(14) QD1 LEU 12 - HE3 LYS 26 lone 8 100 - 8 - 1722/3.0=1, 1732/3.0=1 QD1 LEU 12 - HE2 LYS 26 lone 8 100 - 8 - 1722/3.0=1, 1732/3.0=1 Peak 1753 from cnoeabs.peaks (1.21, 2.52, 42.02 ppm; 3.69 A): 6 out of 16 assignments used, quality = 1.00: * HG3 LYS 26 + HE3 LYS 26 OK 88 100 - 88 - 3.9=83, 1.8/1752=8...(7) HG3 LYS 26 + HE2 LYS 26 OK 88 100 - 88 - 3.9=83, 1.8/1752=8...(7) HD2 LYS 68 + HE3 LYS 26 OK 47 83 - 57 - 3.0/5549=5, 3.0/5548=4...(27) HD2 LYS 68 + HE2 LYS 26 OK 46 82 - 56 - 3.0/5549=5, 1733/3.0=4...(27) HD3 LYS 68 + HE3 LYS 26 OK 45 81 - 56 - 3.0/5549=5, 3.0/5548=4...(27) HD3 LYS 68 + HE2 LYS 26 OK 45 80 - 56 - 3.0/5549=5, 3.0/5548=4...(27) QD1 LEU 34 - HE3 LYS 26 OK 24 97 - 24 - 4676/3.0=5, 4676/3.0=5...(6) QD1 LEU 34 - HE2 LYS 26 OK 23 96 - 24 - 4676/3.0=5, 4676/3.0=5...(6) HG2 LYS 14 - HE3 LYS 26 OK 21 100 - 21 - 1723/3.0=3, 1733/3.0=3...(10) HG2 LYS 14 - HE2 LYS 26 OK 21 100 - 21 - 1723/3.0=3, 1733/3.0=3...(10) QG2 THR 83 - HE3 LYS 26 OK 20 99 - 20 - ~5936=3, 1733/3.0=3...(11) QG2 THR 83 - HE2 LYS 26 OK 20 99 - 20 - ~5936=3, 1733/3.0=3...(11) HG3 LYS 44 - HE3 LYS 26 OK 11 63 - 18 - 1733/3.0=2, 1723/3.0=2...(9) HG3 LYS 44 - HE2 LYS 26 OK 11 62 - 18 - 1733/3.0=2, 1723/3.0=2...(9) HG13 ILE 35 - HE3 LYS 26 lone 6 73 - 7 - HG13 ILE 35 - HE2 LYS 26 lone 5 73 - 7 - Peak 1754 from cnoeabs.peaks (0.85, 2.52, 42.02 ppm; 3.34 A): 2 out of 18 assignments used, quality = 1.00: * HD2 LYS 26 + HE3 LYS 26 OK 100 100 - 100 - 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 - 3.0=100 QD2 LEU 30 - HE3 LYS 26 OK 30 85 - 35 - 1734/3.0=4, 1916/3.9=3...(21) QD2 LEU 30 - HE2 LYS 26 OK 30 84 - 35 - 1734/3.0=4, 1916/3.9=3...(21) QD2 LEU 87 - HE3 LYS 26 OK 23 99 - 23 - 1734/3.0=3, 1704/3.9=2...(7) QD2 LEU 87 - HE2 LYS 26 OK 23 99 - 23 - 1734/3.0=3, 1704/3.9=2...(7) QD2 LEU 73 - HE3 LYS 26 OK 22 97 - 22 - 1734/3.0=2, 1704/3.9=2...(9) QD2 LEU 73 - HE2 LYS 26 OK 21 97 - 22 - 1734/3.0=2, 1704/3.9=2...(9) QD2 LEU 85 - HE3 LYS 26 OK 21 95 - 22 - 1734/3.0=3, 1704/3.9=2...(7) QD2 LEU 85 - HE2 LYS 26 OK 20 94 - 22 - 1734/3.0=3, 1704/3.9=2...(7) QG2 VAL 47 - HE3 LYS 26 OK 14 98 - 14 - 4840/3.9=4, 4.3/718=2...(6) QG2 VAL 47 - HE2 LYS 26 OK 14 98 - 14 - 4840/3.9=4, 1734/3.0=2...(6) QB ALA 75 - HE3 LYS 26 OK 11 85 - 13 - 6108/4.9=2, 5.0/4532=2...(4) QB ALA 75 - HE2 LYS 26 OK 11 84 - 13 - 6108/4.9=2, 5.0/4532=2...(4) QG1 VAL 47 - HE3 LYS 26 lone 6 63 - 9 - 4.3/718=2, 4840/3.9=2 QG1 VAL 47 - HE2 LYS 26 lone 6 62 - 9 - 4840/3.9=2, 4.3/718=1 QG2 ILE 35 - HE3 LYS 26 lone 4 68 - 5 - QG2 ILE 35 - HE2 LYS 26 lone 4 68 - 5 - Peak 1755 from cnoeabs.peaks (0.90, 2.52, 42.02 ppm; 3.33 A): 2 out of 16 assignments used, quality = 1.00: * HD3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 - 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 - 100 - 3.0=100 HB3 LEU 30 - HE3 LYS 26 OK 34 100 - 35 - 1725/3.0=4, 1895/3.9=3...(16) HB3 LEU 30 - HE2 LYS 26 OK 34 100 - 35 - 1725/3.0=4, 1895/3.9=3...(16) QD1 LEU 76 - HE3 LYS 26 OK 28 89 - 32 - 2.1/5771=7, ~5771=5...(14) QD1 LEU 76 - HE2 LYS 26 OK 28 88 - 32 - 2.1/5771=8, ~5771=5...(14) QD1 LEU 87 - HE3 LYS 26 OK 23 100 - 23 - 1725/3.0=3, 1705/3.9=2...(7) QD1 LEU 87 - HE2 LYS 26 OK 23 99 - 23 - 1725/3.0=3, 1705/3.9=2...(7) QD1 LEU 85 - HE3 LYS 26 OK 22 99 - 22 - 1725/3.0=3, 1705/3.9=2...(7) QD1 LEU 85 - HE2 LYS 26 OK 22 98 - 22 - 1725/3.0=3, 1705/3.9=2...(7) QD2 LEU 23 - HE3 LYS 26 OK 17 92 - 18 - 3.9/4532=2, 1725/3.0=2...(9) QD2 LEU 30 - HE3 LYS 26 OK 17 60 - 28 - 2.1/1752=2, 1725/3.0=2...(18) QD2 LEU 23 - HE2 LYS 26 OK 17 91 - 18 - 3.9/4532=2, 1725/3.0=2...(9) QD2 LEU 30 - HE2 LYS 26 OK 17 60 - 28 - 2.1/1742=2, 1725/3.0=2...(18) QB ALA 75 - HE3 LYS 26 lone 5 60 - 9 - 5.0/4532=2, 6108/4.9=1 QB ALA 75 - HE2 LYS 26 lone 5 60 - 9 - 5.0/4532=2, 6108/4.9=1 Peak 1756 from cnoeabs.peaks (2.52, 2.52, 42.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 Reference assignment not found: HE2 LYS 26 - HE3 LYS 26 Peak 1757 from cnoeabs.peaks (2.52, 2.52, 42.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 Peak 1758 from cnoeabs.peaks (8.16, 4.62, 52.51 ppm; 4.85 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 27 + HA ARG 27 OK 100 100 - 100 - 3.0=100 H ALA 71 - HA ARG 27 OK 36 57 - 62 - 106/3.6=10, 1766/3.0=10...(18) Peak 1759 from cnoeabs.peaks (4.62, 4.62, 52.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 27 + HA ARG 27 OK 100 100 - 100 Peak 1760 from cnoeabs.peaks (1.77, 4.62, 52.51 ppm; 4.05 A): 4 out of 14 assignments used, quality = 1.00: * HB2 ARG 27 + HA ARG 27 OK 100 100 - 100 - 3.0=100 HB2 LYS 31 + HA ARG 27 OK 72 97 - 75 - 1929=9, 1.8/1939=7...(39) HB3 ARG 28 + HA ARG 27 OK 47 98 - 49 - 4.0/107=19, ~4556=7...(15) HB2 ARG 28 + HA ARG 27 OK 47 97 - 48 - 4.0/107=19, ~4556=7...(15) HD3 LYS 78 - HA ARG 27 OK 29 99 - 29 - 3351/3.0=5, ~3341=3...(13) HB2 LEU 73 - HA ARG 27 OK 26 78 - 33 - 5700/3.6=4, ~4544=3...(17) QB ALA 74 - HA ARG 27 OK 25 100 - 26 - 5733/3.6=5, 5717/4.1=3...(12) HB2 LYS 91 - HA ARG 27 OK 14 89 - 15 - 3710/3.0=2, 1.8/1761=1...(6) HB2 MET 48 - HA ARG 27 OK 14 87 - 16 - 4.0/4891=2, 2419/3.0=1...(4) HG3 GLU 37 - HA ARG 27 OK 11 96 - 12 - HB3 MET 48 - HA ARG 27 OK 11 73 - 15 - 4.0/4891=2, 4898/4.1=1 HB2 LYS 65 - HA ARG 27 OK 10 96 - 11 - QE MET 11 - HA ARG 27 lone 9 99 - 9 - 4252/3.6=3 HB3 GLN 55 - HA ARG 27 lone 5 68 - 7 - ~4556=1 Peak 1761 from cnoeabs.peaks (1.70, 4.62, 52.51 ppm; 4.43 A): 4 out of 11 assignments used, quality = 1.00: * HB3 ARG 27 + HA ARG 27 OK 100 100 - 100 - 3.0=100 HB3 LYS 31 + HA ARG 27 OK 81 100 - 81 - 1.8/1929=9, 1939=8...(40) HB2 LEU 30 + HA ARG 27 OK 71 99 - 72 - 3.1/6031=8, ~4545=7...(30) HD3 LYS 31 + HA ARG 27 OK 47 71 - 67 - 3.0/1949=7, 3.0/1959=7...(32) HD2 LYS 31 - HA ARG 27 OK 44 65 - 67 - 3.0/1949=7, 3.0/1959=7...(32) HG2 LYS 78 - HA ARG 27 OK 37 100 - 37 - 3324/3.0=5, ~3331=3...(18) HB3 LEU 73 - HA ARG 27 OK 25 65 - 38 - 5703/3.6=5, ~4544=3...(20) HB3 LYS 91 - HA ARG 27 OK 18 97 - 18 - 109/3.6=2, 3719/3.0=2...(6) HB3 GLU 51 - HA ARG 27 OK 16 92 - 17 - 5088/3.6=6, 616/3.0=1...(4) HB3 LYS 17 - HA ARG 27 OK 12 78 - 15 - 1769/3.0=1, 1785/4.1=1 HB2 LYS 17 - HA ARG 27 OK 12 76 - 15 - 1769/3.0=1, 1785/4.1=1 Peak 1762 from cnoeabs.peaks (1.42, 4.62, 52.51 ppm; 6.20 A): 3 out of 7 assignments used, quality = 1.00: * HG2 ARG 27 + HA ARG 27 OK 100 100 - 100 - 4.1=100 HG2 LYS 31 + HA ARG 27 OK 88 97 - 91 - 1770/3.0=13, 617/3.0=13...(33) HB3 LEU 34 + HA ARG 27 OK 60 100 - 60 - 4668=9, 1778/3.0=7...(19) HD2 LYS 44 - HA ARG 27 OK 45 100 - 45 - 617/3.0=6, 1778/3.0=5...(14) HD3 LYS 56 - HA ARG 27 OK 34 71 - 49 - 1778/3.0=5, 1770/3.0=5...(22) HB3 LYS 64 - HA ARG 27 OK 16 76 - 21 - 3.0/5417=3, 4.0/285=2...(11) HG2 LYS 65 - HA ARG 27 OK 12 63 - 19 - 5.0/5452=2, 1770/3.0=2...(7) Peak 1763 from cnoeabs.peaks (1.52, 4.62, 52.51 ppm; 5.21 A): 4 out of 16 assignments used, quality = 1.00: * HG3 ARG 27 + HA ARG 27 OK 100 100 - 100 - 4.1=100 HB3 LYS 26 + HA ARG 27 OK 77 100 - 77 - 3868/3.0=35, ~98=15...(16) QB ALA 71 + HA ARG 27 OK 65 100 - 65 - 4063/3.6=11, 2.9/1758=10...(17) HG LEU 30 + HA ARG 27 OK 63 78 - 81 - 2.1/6031=12, ~4544=11...(24) HG LEU 34 - HA ARG 27 OK 43 100 - 43 - 3.0/4668=6, 2092/4.1=6...(17) QB ALA 72 - HA ARG 27 OK 37 71 - 53 - 2.9/3875=10, ~965=7...(16) HD2 LYS 56 - HA ARG 27 OK 37 93 - 39 - 1779/3.0=3, ~5215=3...(18) HB2 LYS 56 - HA ARG 27 OK 34 89 - 38 - ~5215=3, 1779/3.0=3...(18) HD3 LYS 17 - HA ARG 27 OK 25 98 - 25 - 1771/3.0=2, 1779/3.0=2...(8) HD2 LYS 17 - HA ARG 27 OK 25 98 - 25 - 1771/3.0=2, 1779/3.0=2...(8) HB3 LYS 44 - HA ARG 27 OK 17 76 - 22 - 3.7/1762=3, 2272/4.1=3...(9) HB3 LEU 87 - HA ARG 27 OK 17 93 - 18 - ~103=2, ~102=2, ~4545=2...(7) HB2 LEU 85 - HA ARG 27 OK 15 100 - 15 - ~103=2, ~102=2, 99/3.0=1...(7) HG2 GLU 37 - HA ARG 27 OK 14 90 - 15 - 2187/3.0=2, 1.8/1760=1 HD3 LYS 64 - HA ARG 27 OK 13 99 - 13 - 5.0/5417=1, 3.8/1762=1 HB2 ARG 45 - HA ARG 27 lone 8 98 - 8 - 6180/686=1 Peak 1764 from cnoeabs.peaks (3.18, 4.62, 52.51 ppm; 4.56 A): 3 out of 7 assignments used, quality = 0.95: * HD2 ARG 27 + HA ARG 27 OK 88 100 - 88 - 5.3=62, 1.8/1765=28...(11) HD2 ARG 28 + HA ARG 27 OK 38 76 - 50 - 5.9/107=13, 1780/3.0=5...(15) HD3 ARG 28 + HA ARG 27 OK 37 73 - 51 - 5.9/107=13, 1780/3.0=5...(16) HB2 PHE 80 - HA ARG 27 OK 30 99 - 31 - 1772/3.0=5, 1780/3.0=4...(10) HB3 HIS 42 - HA ARG 27 OK 28 87 - 32 - 2226=5, 1.8/2222=4...(15) HB2 PHE 57 - HA ARG 27 OK 25 85 - 29 - 5253/3.0=5, 1780/3.0=4...(10) HD3 PRO 81 - HA ARG 27 lone 6 63 - 10 - 627/3.6=4 Peak 1765 from cnoeabs.peaks (3.59, 4.62, 52.51 ppm; 3.79 A): 3 out of 3 assignments used, quality = 0.82: * HD3 ARG 27 + HA ARG 27 OK 70 100 - 70 - 5.3=36, 113/3.6=14...(11) HB3 SER 36 + HA ARG 27 OK 27 92 - 29 - 1773/3.0=5, 1781/3.0=5...(8) HA VAL 66 + HA ARG 27 OK 21 73 - 29 - 1773/3.0=5, 1781/3.0=4...(9) Peak 1766 from cnoeabs.peaks (8.16, 1.77, 32.72 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 27 + HB2 ARG 27 OK 100 100 - 100 - 4.0=100 H ALA 71 - HB2 ARG 27 OK 38 57 - 67 - 1774/1.8=10, 1790/2.9=9...(23) Peak 1767 from cnoeabs.peaks (4.62, 1.77, 32.72 ppm; 4.24 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 27 + HB2 ARG 27 OK 100 100 - 100 - 3.0=100 HA LYS 31 + HB2 ARG 27 OK 67 83 - 82 - 1775/1.8=8, 3.7/1770=8...(40) HA THR 38 - HB2 ARG 27 OK 35 100 - 35 - 1775/1.8=4, 3.0/177=3...(16) HA HIS 42 - HB2 ARG 27 OK 28 92 - 30 - 2220/3.5=5, 1775/1.8=3...(14) HA ASN 24 - HB2 ARG 27 OK 18 97 - 18 - 614/4.0=3, 1775/1.8=2...(9) HA ASP 43 - HB2 ARG 27 OK 12 96 - 12 - ~187=2, 1775/1.8=1...(6) HA LEU 12 - HB2 ARG 27 OK 12 97 - 12 - 1775/1.8=1, 4.0/4543=1 HA GLU 33 - HB2 ARG 27 OK 11 92 - 12 - 1775/1.8=2, 4650/2.9=2 HA ASN 63 - HB2 ARG 27 lone 10 100 - 9 - 1775/1.8=1, 1783/2.9=1 HA ASP 82 - HB2 ARG 27 lone 9 100 - 9 - 1775/1.8=1 Peak 1768 from cnoeabs.peaks (1.77, 1.77, 32.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 27 + HB2 ARG 27 OK 100 100 - 100 Peak 1769 from cnoeabs.peaks (1.70, 1.77, 32.72 ppm; 2.94 A): 3 out of 11 assignments used, quality = 1.00: * HB3 ARG 27 + HB2 ARG 27 OK 100 100 - 100 - 1.8=100 HB3 LYS 31 + HB2 ARG 27 OK 62 100 - 63 - 1940=6, 3.0/1770=4...(43) HB2 LEU 30 + HB2 ARG 27 OK 51 99 - 52 - 3.1/4543=5, 1.8/4546=5...(26) HG2 LYS 78 - HB2 ARG 27 OK 31 100 - 31 - 3324=4, 1.8/3334=2...(16) HD3 LYS 31 - HB2 ARG 27 OK 30 71 - 43 - 3.0/1770=4, 3.0/1960=4...(28) HD2 LYS 31 - HB2 ARG 27 OK 28 65 - 43 - 3.0/1770=4, 3.0/1960=4...(28) HB3 LEU 73 - HB2 ARG 27 OK 18 65 - 27 - 3.1/4543=3, 3177=2...(10) HB3 LYS 91 - HB2 ARG 27 OK 11 97 - 12 - 3719=2 HB3 LYS 17 - HB2 ARG 27 poor 9 78 - 11 - HB2 LYS 17 - HB2 ARG 27 poor 9 76 - 11 - HB3 GLU 51 - HB2 ARG 27 lone 9 92 - 9 - 5088/4.2=2 Peak 1770 from cnoeabs.peaks (1.42, 1.77, 32.72 ppm; 3.88 A): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 27 + HB2 ARG 27 OK 100 100 - 100 - 2.9=100 HG2 LYS 31 + HB2 ARG 27 OK 78 97 - 81 - 1950=9, 1778/1.8=9...(42) HB3 LEU 34 - HB2 ARG 27 OK 42 100 - 42 - 1778/1.8=5, 1794/2.9=5...(18) HD2 LYS 44 - HB2 ARG 27 OK 30 100 - 30 - 1778/1.8=4, 1794/2.9=4...(12) HD3 LYS 56 - HB2 ARG 27 OK 27 71 - 39 - 1778/1.8=3, 1794/2.9=3...(16) HB3 LYS 64 - HB2 ARG 27 poor 9 76 - 12 - 1794/2.9=1, 1778/1.8=1 HG2 LYS 65 - HB2 ARG 27 poor 9 63 - 14 - 2939=1 Peak 1771 from cnoeabs.peaks (1.52, 1.77, 32.72 ppm; 3.62 A): 3 out of 16 assignments used, quality = 1.00: * HG3 ARG 27 + HB2 ARG 27 OK 100 100 - 100 - 2.9=100 HG LEU 30 + HB2 ARG 27 OK 55 78 - 70 - 2.1/4543=10, 2.1/4546=8...(32) QB ALA 71 + HB2 ARG 27 OK 54 100 - 54 - 5659=7, 2.1/4212=6...(21) HB3 LYS 26 - HB2 ARG 27 OK 42 100 - 42 - 3868/4.0=15, 2.9/4543=4...(15) HG LEU 34 - HB2 ARG 27 OK 34 100 - 35 - 2092/2.9=4, 3.0/1770=4...(18) HD2 LYS 56 - HB2 ARG 27 OK 33 93 - 35 - 1.8/1770=3, 1779/1.8=3...(13) HB2 LYS 56 - HB2 ARG 27 OK 30 89 - 34 - 1779/1.8=2, 3.4/1770=2...(11) QB ALA 72 - HB2 ARG 27 OK 29 71 - 40 - 2.9/3876=4, ~3877=3...(21) HD3 LYS 17 - HB2 ARG 27 OK 19 98 - 19 - 1779/1.8=1, 1787/2.9=1 HD2 LYS 17 - HB2 ARG 27 OK 19 98 - 19 - 1779/1.8=1, 1787/2.9=1 HG2 GLU 37 - HB2 ARG 27 OK 13 90 - 15 - 2187=2 HB3 LYS 44 - HB2 ARG 27 OK 12 76 - 16 - 3.7/1770=2, 2272/2.9=2 HB3 LEU 87 - HB2 ARG 27 OK 12 93 - 12 - 3.1/4546=1 HB2 LEU 85 - HB2 ARG 27 OK 10 100 - 10 - 3.1/4546=1 HD3 LYS 64 - HB2 ARG 27 lone 9 99 - 9 - HB2 ARG 45 - HB2 ARG 27 lone 4 98 - 4 - Peak 1772 from cnoeabs.peaks (3.18, 1.77, 32.72 ppm; 4.57 A): 3 out of 7 assignments used, quality = 1.00: * HD2 ARG 27 + HB2 ARG 27 OK 100 100 - 100 - 3.5=100 HB2 PHE 80 + HB2 ARG 27 OK 45 99 - 46 - 1788/2.9=6, 1780/1.8=5...(15) HD2 ARG 28 + HB2 ARG 27 OK 45 76 - 60 - 627/4.2=8, 1.8/1864=7...(23) HD3 ARG 28 - HB2 ARG 27 OK 45 73 - 61 - 628/4.2=11, 1.8/1856=6...(24) HB2 PHE 57 - HB2 ARG 27 OK 43 85 - 51 - 5253=6, 2.5/4669=6...(18) HB3 HIS 42 - HB2 ARG 27 OK 32 87 - 37 - 2226/3.0=5, 1780/1.8=4...(17) HD3 PRO 81 - HB2 ARG 27 poor 10 63 - 15 - 627/4.2=3, 1780/1.8=1 Peak 1773 from cnoeabs.peaks (3.59, 1.77, 32.72 ppm; 4.87 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 27 + HB2 ARG 27 OK 100 100 - 100 - 3.5=100 HB3 SER 36 + HB2 ARG 27 OK 49 92 - 53 - 1781/1.8=10, 1765/3.0=10...(11) HA VAL 66 - HB2 ARG 27 OK 44 73 - 60 - 1781/1.8=9, 1789/2.9=8...(21) Peak 1774 from cnoeabs.peaks (8.16, 1.70, 32.72 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 27 + HB3 ARG 27 OK 100 100 - 100 - 4.0=100 H ALA 71 - HB3 ARG 27 OK 36 57 - 63 - 1766/1.8=11, 1790/2.9=9...(20) Peak 1775 from cnoeabs.peaks (4.62, 1.70, 32.72 ppm; 4.42 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 27 + HB3 ARG 27 OK 100 100 - 100 - 3.0=100 HA LYS 31 + HB3 ARG 27 OK 66 83 - 80 - 1767/1.8=9, 1807/3.5=8...(37) HA THR 38 - HB3 ARG 27 OK 36 100 - 36 - 1767/1.8=5, 1807/3.5=3...(15) HA HIS 42 - HB3 ARG 27 OK 30 92 - 32 - 2220/3.5=5, 1767/1.8=4...(15) HA ASN 24 - HB3 ARG 27 OK 20 97 - 20 - 614/4.0=3, 1767/1.8=2...(10) HA GLU 33 - HB3 ARG 27 OK 15 92 - 17 - 4.2/4661=2, 4.2/4666=2...(7) HA ASP 43 - HB3 ARG 27 OK 12 96 - 13 - ~187=2, 1767/1.8=2...(6) HA LEU 12 - HB3 ARG 27 OK 11 97 - 11 - 1767/1.8=2, 1807/3.5=1 HA ASN 63 - HB3 ARG 27 lone 10 100 - 10 - 1767/1.8=1, 1783/2.9=1 HA ASP 82 - HB3 ARG 27 lone 10 100 - 9 - 1767/1.8=1 Peak 1776 from cnoeabs.peaks (1.77, 1.70, 32.72 ppm; 2.94 A): 2 out of 14 assignments used, quality = 1.00: * HB2 ARG 27 + HB3 ARG 27 OK 100 100 - 100 - 1.8=100 HB2 LYS 31 + HB3 ARG 27 OK 57 97 - 60 - 1931=7, 1932/2.9=5...(39) HD3 LYS 78 - HB3 ARG 27 OK 31 99 - 32 - 3351=5, 1.8/3341=4...(15) HB3 ARG 28 - HB3 ARG 27 OK 31 98 - 31 - 4.0/109=6, 1837/3.5=2...(15) HB2 ARG 28 - HB3 ARG 27 OK 30 97 - 31 - 4.0/109=6, 1829/3.5=2...(15) HB2 LEU 73 - HB3 ARG 27 OK 21 78 - 27 - 3.1/4544=3, 624/4.2=2...(8) QB ALA 74 - HB3 ARG 27 OK 20 100 - 20 - 5721/3.5=2, 5717/2.9=2...(5) HB2 LYS 91 - HB3 ARG 27 OK 11 89 - 12 - 3710=2 HB2 MET 48 - HB3 ARG 27 poor 9 87 - 11 - 2419/1.8=1 HG3 GLU 37 - HB3 ARG 27 lone 8 96 - 8 - HB3 MET 48 - HB3 ARG 27 lone 7 73 - 10 - HB2 LYS 65 - HB3 ARG 27 lone 7 96 - 7 - QE MET 11 - HB3 ARG 27 lone 6 99 - 6 - 4252/4.2=1 HB3 GLN 55 - HB3 ARG 27 lone 4 68 - 5 - Peak 1777 from cnoeabs.peaks (1.70, 1.70, 32.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 27 + HB3 ARG 27 OK 100 100 - 100 Peak 1778 from cnoeabs.peaks (1.42, 1.70, 32.72 ppm; 4.12 A): 3 out of 7 assignments used, quality = 1.00: * HG2 ARG 27 + HB3 ARG 27 OK 100 100 - 100 - 2.9=100 HG2 LYS 31 + HB3 ARG 27 OK 79 97 - 81 - 1770/1.8=11, 1794/2.9=9...(38) HB3 LEU 34 + HB3 ARG 27 OK 46 100 - 46 - 1770/1.8=6, 1794/2.9=6...(19) HD2 LYS 44 - HB3 ARG 27 OK 32 100 - 32 - 1770/1.8=4, 1794/2.9=4...(13) HD3 LYS 56 - HB3 ARG 27 OK 28 71 - 40 - 1770/1.8=4, 3.0/5215=4...(14) HB3 LYS 64 - HB3 ARG 27 poor 10 76 - 13 - 1770/1.8=1, 1794/2.9=1 HG2 LYS 65 - HB3 ARG 27 poor 8 63 - 13 - 1770/1.8=1 Peak 1779 from cnoeabs.peaks (1.52, 1.70, 32.72 ppm; 3.72 A): 3 out of 16 assignments used, quality = 1.00: * HG3 ARG 27 + HB3 ARG 27 OK 100 100 - 100 - 2.9=100 HG LEU 30 + HB3 ARG 27 OK 56 78 - 71 - 2.1/4544=12, 2.1/4545=9...(33) QB ALA 71 + HB3 ARG 27 OK 51 100 - 51 - 5659/1.8=6, 2.9/1774=6...(21) HB3 LYS 26 - HB3 ARG 27 OK 41 100 - 41 - 3868/4.0=15, 1771/1.8=3...(14) HD2 LYS 56 - HB3 ARG 27 OK 36 93 - 38 - 3.0/5215=3, 1.8/1778=3...(15) HG LEU 34 - HB3 ARG 27 OK 35 100 - 35 - 2092/2.9=4, 3.0/1778=4...(21) HB2 LYS 56 - HB3 ARG 27 OK 31 89 - 35 - 2.9/5215=3, 1771/1.8=2...(10) QB ALA 72 - HB3 ARG 27 OK 28 71 - 39 - 2.9/3877=5, ~3876=4...(22) HD3 LYS 17 - HB3 ARG 27 OK 18 98 - 18 - 1771/1.8=2, 1787/2.9=1, ~1771=1 HD2 LYS 17 - HB3 ARG 27 OK 18 98 - 18 - 1771/1.8=2, 1787/2.9=1, ~1771=1 HB3 LYS 44 - HB3 ARG 27 OK 13 76 - 17 - 3.7/1778=2, 2272/2.9=2...(4) HB3 LEU 87 - HB3 ARG 27 OK 12 93 - 13 - 3.1/4545=2 HG2 GLU 37 - HB3 ARG 27 OK 11 90 - 12 - 2187/1.8=2, 1.8/1776=1 HB2 LEU 85 - HB3 ARG 27 OK 11 100 - 10 - 3.1/4545=1 HD3 LYS 64 - HB3 ARG 27 lone 9 99 - 9 - HB2 ARG 45 - HB3 ARG 27 lone 4 98 - 4 - Peak 1780 from cnoeabs.peaks (3.18, 1.70, 32.72 ppm; 4.56 A): 2 out of 7 assignments used, quality = 1.00: * HD2 ARG 27 + HB3 ARG 27 OK 100 100 - 100 - 3.5=100 HD2 ARG 28 + HB3 ARG 27 OK 45 76 - 60 - 627/4.2=8, 1772/1.8=5...(26) HD3 ARG 28 - HB3 ARG 27 OK 45 73 - 62 - 628/4.2=11, 1772/1.8=5...(27) HB2 PHE 80 - HB3 ARG 27 OK 44 99 - 44 - 1788/2.9=6, 1772/1.8=6...(15) HB2 PHE 57 - HB3 ARG 27 OK 41 85 - 48 - 5253/1.8=6, 4.4/4662=5...(17) HB3 HIS 42 - HB3 ARG 27 OK 32 87 - 37 - 2226/3.0=5, 1772/1.8=4...(17) HD3 PRO 81 - HB3 ARG 27 poor 8 63 - 13 - 627/4.2=3, 1772/1.8=1 Peak 1781 from cnoeabs.peaks (3.59, 1.70, 32.72 ppm; 4.91 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 27 + HB3 ARG 27 OK 100 100 - 100 - 3.5=100 HB3 SER 36 + HB3 ARG 27 OK 49 92 - 53 - 1773/1.8=10, 1765/3.0=10...(10) HA VAL 66 - HB3 ARG 27 OK 42 73 - 57 - 1773/1.8=9, 1789/2.9=8...(20) Peak 1782 from cnoeabs.peaks (8.16, 1.42, 26.70 ppm; 5.35 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 27 + HG2 ARG 27 OK 100 100 - 100 - 4.9=100 H ALA 71 - HG2 ARG 27 OK 40 57 - 71 - 1790/1.8=13, 1766/2.9=11...(18) Peak 1783 from cnoeabs.peaks (4.62, 1.42, 26.70 ppm; 4.85 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 27 + HG2 ARG 27 OK 100 100 - 100 - 4.1=100 HA LYS 31 + HG2 ARG 27 OK 71 83 - 86 - 3.0/1932=12, 3.0/643=10...(39) HA THR 38 - HG2 ARG 27 OK 41 100 - 41 - 3.0/4783=6, 1791/1.8=5...(14) HA HIS 42 - HG2 ARG 27 OK 31 92 - 33 - 2220/3.0=7, 1807/3.0=4...(13) HA GLU 33 - HG2 ARG 27 OK 20 92 - 22 - 3.6/664=4, 4.2/4665=2...(10) HA ASN 24 - HG2 ARG 27 OK 19 97 - 20 - 614/4.9=3, 1791/1.8=3...(9) HA ASP 43 - HG2 ARG 27 OK 15 96 - 15 - 3.6/705=3, ~187=2...(7) HA ASN 63 - HG2 ARG 27 OK 13 100 - 13 - 5406/4541=2, 1791/1.8=1...(6) HA ASP 82 - HG2 ARG 27 OK 11 100 - 11 - 1791/1.8=1, 1799/3.0=1...(6) HA LEU 12 - HG2 ARG 27 OK 11 97 - 11 - 1767/2.9=2, 1807/3.0=1...(5) Peak 1784 from cnoeabs.peaks (1.77, 1.42, 26.70 ppm; 4.07 A): 4 out of 14 assignments used, quality = 1.00: * HB2 ARG 27 + HG2 ARG 27 OK 100 100 - 100 - 2.9=100 HB2 LYS 31 + HG2 ARG 27 OK 81 97 - 84 - 1932=13, 3.0/1962=8...(49) HB3 ARG 28 + HG2 ARG 27 OK 50 98 - 52 - 1830/5.0=6, 1792/1.8=4...(24) HB2 ARG 28 + HG2 ARG 27 OK 49 97 - 51 - 1822/5.0=5, 1792/1.8=4...(24) HD3 LYS 78 - HG2 ARG 27 OK 38 99 - 38 - 3351/2.9=5, ~3341=3...(19) QB ALA 74 - HG2 ARG 27 OK 34 100 - 34 - 5717/1.8=5, 5721/3.0=4...(16) HB2 LEU 73 - HG2 ARG 27 OK 33 78 - 43 - 3.1/4548=5, 5700/5.0=3...(23) HB2 MET 48 - HG2 ARG 27 OK 18 87 - 21 - 1792/1.8=2, ~4898=2...(5) HG3 GLU 37 - HG2 ARG 27 OK 15 96 - 16 - 1792/1.8=1, 1.8/1787=1 HB2 LYS 65 - HG2 ARG 27 OK 15 96 - 15 - 1792/1.8=1 HB2 LYS 91 - HG2 ARG 27 OK 15 89 - 17 - 3710/2.9=2, 1.8/1785=1...(4) HB3 MET 48 - HG2 ARG 27 OK 14 73 - 19 - 4898/1.8=2, ~1792=1 QE MET 11 - HG2 ARG 27 OK 10 99 - 10 - 4252/5.0=2 HB3 GLN 55 - HG2 ARG 27 poor 8 68 - 11 - 5188/4542=1 Peak 1785 from cnoeabs.peaks (1.70, 1.42, 26.70 ppm; 4.09 A): 4 out of 11 assignments used, quality = 1.00: * HB3 ARG 27 + HG2 ARG 27 OK 100 100 - 100 - 2.9=100 HB3 LYS 31 + HG2 ARG 27 OK 84 100 - 84 - 1.8/1932=12, 1942=8...(47) HB2 LEU 30 + HG2 ARG 27 OK 74 99 - 74 - 3.1/4548=8, 1793/1.8=7...(34) HD3 LYS 31 + HG2 ARG 27 OK 48 71 - 69 - 3.6/1932=8, 3.0/1962=8...(34) HD2 LYS 31 - HG2 ARG 27 OK 45 65 - 68 - 3.6/1932=8, 3.0/1962=8...(34) HG2 LYS 78 - HG2 ARG 27 OK 40 100 - 40 - 3324/2.9=4, 1793/1.8=3...(22) HB3 LEU 73 - HG2 ARG 27 OK 27 65 - 42 - 3.1/4548=5, 5703/5.0=3...(22) HB3 LYS 17 - HG2 ARG 27 OK 19 78 - 23 - 1942=1, 1793/1.8=1...(8) HB2 LYS 17 - HG2 ARG 27 OK 18 76 - 23 - 1942=1, 1.8/1942=1...(7) HB3 LYS 91 - HG2 ARG 27 OK 17 97 - 17 - 3719/2.9=2, 1793/1.8=1...(6) HB3 GLU 51 - HG2 ARG 27 OK 17 92 - 18 - 5088/5.0=4, 1793/1.8=1 Peak 1786 from cnoeabs.peaks (1.42, 1.42, 26.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 27 + HG2 ARG 27 OK 100 100 - 100 Peak 1787 from cnoeabs.peaks (1.52, 1.42, 26.70 ppm; 3.19 A): 1 out of 16 assignments used, quality = 1.00: * HG3 ARG 27 + HG2 ARG 27 OK 100 100 - 100 - 1.8=100 HG LEU 30 - HG2 ARG 27 OK 41 78 - 52 - 2.1/4548=5, ~4544=4...(29) HG LEU 34 - HG2 ARG 27 OK 35 100 - 35 - 2092=6, 2.1/2099=4...(17) QB ALA 71 - HG2 ARG 27 OK 35 100 - 35 - 5659/2.9=4, 2.9/1782=3...(18) HB3 LYS 26 - HG2 ARG 27 OK 28 100 - 28 - 3868/4.9=9, 1771/2.9=2...(12) HD2 LYS 56 - HG2 ARG 27 OK 28 93 - 30 - ~1794=2, 1779/2.9=2...(14) HB2 LYS 56 - HG2 ARG 27 OK 25 89 - 29 - 2625/1.8=2, 2626=2...(9) QB ALA 72 - HG2 ARG 27 OK 18 71 - 26 - 2.9/3878=2, ~3880=2...(18) HB3 LYS 44 - HG2 ARG 27 OK 16 76 - 20 - 2272=3, 2.9/2282=2...(8) HD3 LYS 17 - HG2 ARG 27 OK 15 98 - 15 - HD2 LYS 17 - HG2 ARG 27 OK 15 98 - 15 - HD3 LYS 64 - HG2 ARG 27 lone 9 99 - 9 - HG2 GLU 37 - HG2 ARG 27 lone 9 90 - 10 - HB3 LEU 87 - HG2 ARG 27 lone 7 93 - 8 - HB2 LEU 85 - HG2 ARG 27 lone 7 100 - 7 - HB2 ARG 45 - HG2 ARG 27 lone 4 98 - 4 - Peak 1788 from cnoeabs.peaks (3.18, 1.42, 26.70 ppm; 4.56 A): 2 out of 7 assignments used, quality = 1.00: * HD2 ARG 27 + HG2 ARG 27 OK 100 100 - 100 - 3.0=100 HB2 PHE 80 + HG2 ARG 27 OK 55 99 - 55 - 4.4/4541=16, 5.8/4542=9...(16) HD3 ARG 28 - HG2 ARG 27 OK 43 73 - 59 - 628/5.0=9, 1796/1.8=6...(22) HD2 ARG 28 - HG2 ARG 27 OK 43 76 - 56 - 627/5.0=7, 1796/1.8=6...(21) HB2 PHE 57 - HG2 ARG 27 OK 42 85 - 49 - 5.8/4542=7, 1796/1.8=5...(17) HB3 HIS 42 - HG2 ARG 27 OK 31 87 - 35 - 1796/1.8=4, 2226/4.1=4...(16) HD3 PRO 81 - HG2 ARG 27 poor 8 63 - 13 - 627/5.0=3, 4717/4541=1 Peak 1789 from cnoeabs.peaks (3.59, 1.42, 26.70 ppm; 4.59 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 27 + HG2 ARG 27 OK 100 100 - 100 - 3.0=100 HB3 SER 36 - HG2 ARG 27 OK 44 92 - 48 - 1797/1.8=10, 1773/2.9=8...(10) HA VAL 66 - HG2 ARG 27 OK 39 73 - 53 - 1797/1.8=8, 1773/2.9=7...(19) Peak 1790 from cnoeabs.peaks (8.16, 1.52, 26.70 ppm; 4.48 A): 2 out of 2 assignments used, quality = 0.96: * H ARG 27 + HG3 ARG 27 OK 95 100 - 95 - 4.9=77, 617/1.8=17...(14) H ALA 71 + HG3 ARG 27 OK 35 57 - 61 - 1766/2.9=9, 1774/2.9=8...(21) Peak 1791 from cnoeabs.peaks (4.62, 1.52, 26.70 ppm; 4.98 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 27 + HG3 ARG 27 OK 100 100 - 100 - 4.1=100 HA LYS 31 + HG3 ARG 27 OK 70 83 - 84 - 1807/3.0=10, 1922/1.8=10...(34) HA THR 38 - HG3 ARG 27 OK 42 100 - 43 - 1783/1.8=5, ~4783=5...(14) HA HIS 42 - HG3 ARG 27 OK 32 92 - 35 - 2220/3.0=7, 1807/3.0=4...(13) HA ASN 24 - HG3 ARG 27 OK 23 97 - 24 - 3.6/4501=4, 614/4.9=3...(9) HA GLU 33 - HG3 ARG 27 OK 15 92 - 16 - 4650/1.8=3, 3.6/665=2...(6) HA ASP 43 - HG3 ARG 27 OK 14 96 - 15 - ~187=2, 1783/1.8=2...(7) HA ASN 63 - HG3 ARG 27 OK 13 100 - 12 - 1783/1.8=2, 1767/2.9=1...(5) HA LEU 12 - HG3 ARG 27 OK 11 97 - 11 - 1767/2.9=2, 1775/2.9=1...(6) HA ASP 82 - HG3 ARG 27 OK 11 100 - 11 - 1783/1.8=1, 1799/3.0=1...(5) Peak 1792 from cnoeabs.peaks (1.77, 1.52, 26.70 ppm; 3.83 A): 4 out of 14 assignments used, quality = 1.00: * HB2 ARG 27 + HG3 ARG 27 OK 100 100 - 100 - 2.9=100 HB2 LYS 31 + HG3 ARG 27 OK 74 97 - 77 - 1932/1.8=11, 3.0/1794=8...(43) HB3 ARG 28 + HG3 ARG 27 OK 47 98 - 48 - 4.0/111=5, 1837/3.0=4...(25) HB2 ARG 28 + HG3 ARG 27 OK 46 97 - 48 - 4.0/111=5, 1829/3.0=4...(25) QB ALA 74 - HG3 ARG 27 OK 35 100 - 35 - 5717=5, 5721/3.0=4...(15) HD3 LYS 78 - HG3 ARG 27 OK 31 99 - 32 - 3351/2.9=5, 1784/1.8=3...(13) HB2 LEU 73 - HG3 ARG 27 OK 31 78 - 39 - 5700/5.0=3, ~4548=3...(20) HB2 MET 48 - HG3 ARG 27 OK 19 87 - 22 - 1.8/4898=2, 1784/1.8=1...(5) HG3 GLU 37 - HG3 ARG 27 OK 16 96 - 17 - 3.8/2168=1, 1784/1.8=1...(4) HB3 MET 48 - HG3 ARG 27 OK 15 73 - 20 - 4898=2, 1.8/2192=1 HB2 LYS 91 - HG3 ARG 27 OK 13 89 - 14 - 3710/2.9=1, 1.8/1793=1 HB2 LYS 65 - HG3 ARG 27 OK 13 96 - 13 - 1784/1.8=1 QE MET 11 - HG3 ARG 27 lone 10 99 - 10 - 4252/5.0=2 HB3 GLN 55 - HG3 ARG 27 poor 8 68 - 11 - 3.9/5167=1 Peak 1793 from cnoeabs.peaks (1.70, 1.52, 26.70 ppm; 3.71 A): 3 out of 11 assignments used, quality = 1.00: * HB3 ARG 27 + HG3 ARG 27 OK 100 100 - 100 - 2.9=100 HB3 LYS 31 + HG3 ARG 27 OK 74 100 - 75 - 3.0/1794=7, ~1932=7...(44) HB2 LEU 30 + HG3 ARG 27 OK 66 99 - 67 - 1.8/6076=7, 1887=5...(34) HD3 LYS 31 - HG3 ARG 27 OK 40 71 - 56 - 3.0/1794=7, ~1962=4...(32) HD2 LYS 31 - HG3 ARG 27 OK 37 65 - 56 - 3.0/1794=7, ~1962=4...(32) HG2 LYS 78 - HG3 ARG 27 OK 31 100 - 32 - 3324/2.9=4, 1785/1.8=3...(17) HB3 LEU 73 - HG3 ARG 27 OK 24 65 - 36 - ~4548=3, 5703/5.0=3...(18) HB3 GLU 51 - HG3 ARG 27 OK 15 92 - 16 - 5088/5.0=3, 4.6/5112=1...(4) HB3 LYS 91 - HG3 ARG 27 OK 13 97 - 14 - 3719/2.9=2, 1785/1.8=1 HB3 LYS 17 - HG3 ARG 27 OK 13 78 - 16 - 1785/1.8=1 HB2 LYS 17 - HG3 ARG 27 OK 12 76 - 16 - 1785/1.8=1 Peak 1794 from cnoeabs.peaks (1.42, 1.52, 26.70 ppm; 3.16 A): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 27 + HG3 ARG 27 OK 100 100 - 100 - 1.8=100 HG2 LYS 31 + HG3 ARG 27 OK 54 97 - 55 - 1770/2.9=5, ~1962=5...(32) HB3 LEU 34 - HG3 ARG 27 OK 35 100 - 35 - 2086=4, 1770/2.9=3...(17) HD2 LYS 44 - HG3 ARG 27 OK 24 100 - 23 - 1770/2.9=2, 1778/2.9=2...(9) HD3 LYS 56 - HG3 ARG 27 OK 19 71 - 27 - 2671=2, 1770/2.9=2...(10) HB3 LYS 64 - HG3 ARG 27 poor 8 76 - 10 - HG2 LYS 65 - HG3 ARG 27 lone 5 63 - 7 - Peak 1795 from cnoeabs.peaks (1.52, 1.52, 26.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 27 + HG3 ARG 27 OK 100 100 - 100 Peak 1796 from cnoeabs.peaks (3.18, 1.52, 26.70 ppm; 4.36 A): 1 out of 7 assignments used, quality = 1.00: * HD2 ARG 27 + HG3 ARG 27 OK 100 100 - 100 - 3.0=100 HB2 PHE 80 - HG3 ARG 27 OK 43 99 - 43 - 1788/1.8=6, 1812/3.0=5...(16) HD3 ARG 28 - HG3 ARG 27 OK 41 73 - 55 - 628/5.0=8, 1788/1.8=5...(22) HD2 ARG 28 - HG3 ARG 27 OK 40 76 - 53 - 627/5.0=6, 1812/3.0=5...(21) HB2 PHE 57 - HG3 ARG 27 OK 38 85 - 44 - 1788/1.8=5, 5253/2.9=4...(18) HB3 HIS 42 - HG3 ARG 27 OK 29 87 - 33 - 1788/1.8=3, 2226/4.1=3...(16) HD3 PRO 81 - HG3 ARG 27 poor 7 63 - 11 - 627/5.0=2 Peak 1797 from cnoeabs.peaks (3.59, 1.52, 26.70 ppm; 4.76 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 27 + HG3 ARG 27 OK 100 100 - 100 - 3.0=100 HB3 SER 36 + HG3 ARG 27 OK 48 92 - 52 - 1789/1.8=10, 1773/2.9=8...(12) HA VAL 66 - HG3 ARG 27 OK 41 73 - 56 - 1789/1.8=9, 1773/2.9=7...(19) Peak 1799 from cnoeabs.peaks (4.62, 3.18, 42.18 ppm; 3.96 A): 5 out of 10 assignments used, quality = 0.94: * HA ARG 27 + HD2 ARG 27 OK 75 100 - 75 - 5.3=41, 1765/1.8=24...(11) HA LYS 31 + HD2 ARG 27 OK 53 83 - 65 - 1807/1.8=9, 3.7/1802=6...(32) HA HIS 42 + HD2 ARG 27 OK 27 92 - 29 - 2220=7, 1807/1.8=4...(15) HA THR 38 + HD2 ARG 27 OK 24 100 - 24 - 1807/1.8=4, 1767/3.5=3...(11) HA ASN 24 + HD2 ARG 27 OK 11 97 - 11 - 1807/1.8=2, 1775/3.5=1...(6) HA ASP 43 - HD2 ARG 27 lone 8 96 - 8 - 3.0/187=2, 1807/1.8=1 HA GLU 33 - HD2 ARG 27 lone 7 92 - 8 - 4650/3.0=1, 1807/1.8=1 HA ASP 82 - HD2 ARG 27 lone 7 100 - 6 - 1807/1.8=1 HA LEU 12 - HD2 ARG 27 lone 6 97 - 7 - 1807/1.8=1 HA ASN 63 - HD2 ARG 27 lone 6 100 - 6 - 1807/1.8=1 Peak 1800 from cnoeabs.peaks (1.77, 3.18, 42.18 ppm; 3.76 A): 3 out of 14 assignments used, quality = 1.00: * HB2 ARG 27 + HD2 ARG 27 OK 100 100 - 100 - 3.5=100 HB2 LYS 31 + HD2 ARG 27 OK 70 97 - 72 - 1932/3.0=8, 1.8/1801=7...(41) HB3 ARG 28 + HD2 ARG 27 OK 46 98 - 47 - 4.0/3880=7, 3.0/1821=5...(23) HB2 ARG 28 - HD2 ARG 27 OK 45 97 - 46 - 4.0/3880=7, 3.0/1821=5...(23) QB ALA 74 - HD2 ARG 27 OK 34 100 - 34 - 5721=5, 3.4/5752=4...(10) HD3 LYS 78 - HD2 ARG 27 OK 29 99 - 30 - 3351/3.5=4, 2.9/1801=2...(11) HB2 LEU 73 - HD2 ARG 27 OK 27 78 - 35 - 3.1/4551=3, 3.1/4550=2...(14) HB2 MET 48 - HD2 ARG 27 OK 13 87 - 15 - 1792/3.0=1 HG3 GLU 37 - HD2 ARG 27 OK 11 96 - 12 - 1792/3.0=1 HB2 LYS 91 - HD2 ARG 27 OK 11 89 - 13 - 3710/3.5=1, 1.8/1801=1 HB2 LYS 65 - HD2 ARG 27 OK 11 96 - 11 - HB3 MET 48 - HD2 ARG 27 OK 10 73 - 14 - 4898/3.0=1 QE MET 11 - HD2 ARG 27 lone 7 99 - 7 - HB3 GLN 55 - HD2 ARG 27 lone 6 68 - 9 - Peak 1801 from cnoeabs.peaks (1.70, 3.18, 42.18 ppm; 3.63 A): 3 out of 11 assignments used, quality = 1.00: * HB3 ARG 27 + HD2 ARG 27 OK 100 100 - 100 - 3.5=100 HB3 LYS 31 + HD2 ARG 27 OK 67 100 - 67 - 3.0/1802=6, 3.0/1799=6...(37) HB2 LEU 30 + HD2 ARG 27 OK 63 99 - 64 - ~4595=9, 3.1/4550=6...(32) HD3 LYS 31 - HD2 ARG 27 OK 34 71 - 49 - 3.0/1802=6, 3.6/1800=4...(24) HD2 LYS 31 - HD2 ARG 27 OK 32 65 - 49 - 3.0/1802=6, 3.6/1800=4...(24) HG2 LYS 78 - HD2 ARG 27 OK 29 100 - 29 - 3324/3.5=3, 1809/1.8=2...(12) HB3 LEU 73 - HD2 ARG 27 OK 21 65 - 32 - 3.1/4551=3, 1.8/1800=2...(15) HB3 LYS 17 - HD2 ARG 27 OK 11 78 - 14 - HB3 LYS 91 - HD2 ARG 27 OK 11 97 - 11 - 3719/3.5=1 HB2 LYS 17 - HD2 ARG 27 OK 11 76 - 14 - HB3 GLU 51 - HD2 ARG 27 poor 10 92 - 10 - Peak 1802 from cnoeabs.peaks (1.42, 3.18, 42.18 ppm; 4.12 A): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 27 + HD2 ARG 27 OK 100 100 - 100 - 3.0=100 HG2 LYS 31 + HD2 ARG 27 OK 72 97 - 74 - 1810/1.8=9, 1794/3.0=8...(35) HB3 LEU 34 - HD2 ARG 27 OK 42 100 - 42 - 1794/3.0=5, 1810/1.8=5...(17) HD2 LYS 44 - HD2 ARG 27 OK 29 100 - 29 - 1810/1.8=4, 1794/3.0=4...(12) HD3 LYS 56 - HD2 ARG 27 OK 27 71 - 38 - 1810/1.8=3, 1794/3.0=3...(14) HB3 LYS 64 - HD2 ARG 27 poor 9 76 - 12 - 1794/3.0=1, 1810/1.8=1 HG2 LYS 65 - HD2 ARG 27 poor 7 63 - 12 - 1810/1.8=1 Peak 1803 from cnoeabs.peaks (1.52, 3.18, 42.18 ppm; 3.94 A): 3 out of 16 assignments used, quality = 1.00: * HG3 ARG 27 + HD2 ARG 27 OK 100 100 - 100 - 3.0=100 HG LEU 30 + HD2 ARG 27 OK 57 78 - 73 - ~4595=14, 2.1/4550=9...(32) QB ALA 71 + HD2 ARG 27 OK 50 100 - 50 - 3.7/3880=6, 2.1/5655=5...(22) HB3 LYS 26 - HD2 ARG 27 OK 40 100 - 40 - 3868/5.9=10, 2.9/4551=3...(16) HG LEU 34 - HD2 ARG 27 OK 35 100 - 35 - 2092/3.0=5, 3.0/1802=4...(17) HD2 LYS 56 - HD2 ARG 27 OK 35 93 - 38 - 1.8/1802=3, 1811/1.8=3...(17) HB2 LYS 56 - HD2 ARG 27 OK 32 89 - 36 - 3.4/1802=2, 1787/3.0=2...(13) QB ALA 72 - HD2 ARG 27 OK 28 71 - 39 - 2.9/3880=7, ~3881=4...(18) HD2 LYS 17 - HD2 ARG 27 OK 19 98 - 19 - 1811/1.8=2, 1787/3.0=1...(6) HD3 LYS 17 - HD2 ARG 27 OK 19 98 - 19 - 1811/1.8=2, 1787/3.0=1...(6) HB3 LYS 44 - HD2 ARG 27 OK 13 76 - 17 - 3.7/1802=2, 2272/3.0=2...(6) HB3 LEU 87 - HD2 ARG 27 OK 12 93 - 13 - 3.1/4550=1 HG2 GLU 37 - HD2 ARG 27 OK 11 90 - 12 - 2187/3.5=1, 1.8/1800=1 HB2 LEU 85 - HD2 ARG 27 OK 10 100 - 10 - HD3 LYS 64 - HD2 ARG 27 OK 10 99 - 10 - HB2 ARG 45 - HD2 ARG 27 lone 4 98 - 4 - Peak 1804 from cnoeabs.peaks (3.18, 3.18, 42.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 27 + HD2 ARG 27 OK 100 100 - 100 Peak 1805 from cnoeabs.peaks (3.59, 3.18, 42.18 ppm; 3.21 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 27 + HD2 ARG 27 OK 100 100 - 100 - 1.8=100 HB3 SER 36 - HD2 ARG 27 OK 22 92 - 23 - 1789/3.0=4, 1797/3.0=4...(9) HA VAL 66 - HD2 ARG 27 OK 19 73 - 26 - 5998/2.9=3, 1789/3.0=3...(12) Peak 1806 from cnoeabs.peaks (8.16, 3.59, 42.18 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 27 + HD3 ARG 27 OK 100 100 - 100 - 5.9=100 H ALA 71 - HD3 ARG 27 OK 44 57 - 78 - 1790/3.0=13, 1766/3.5=12...(19) Peak 1807 from cnoeabs.peaks (4.62, 3.59, 42.18 ppm; 3.97 A): 5 out of 10 assignments used, quality = 0.94: * HA ARG 27 + HD3 ARG 27 OK 74 100 - 74 - 5.3=41, 3.6/113=15...(11) HA LYS 31 + HD3 ARG 27 OK 54 83 - 65 - 1799/1.8=9, 3.7/1810=6...(34) HA THR 38 + HD3 ARG 27 OK 24 100 - 24 - 1799/1.8=4, 1767/3.5=3...(11) HA HIS 42 + HD3 ARG 27 OK 22 92 - 24 - 2220/1.8=6, 3.0/1812=3...(12) HA ASN 24 + HD3 ARG 27 OK 11 97 - 11 - 1799/1.8=2, 1775/3.5=1...(6) HA ASP 43 - HD3 ARG 27 lone 8 96 - 8 - ~187=2, 1799/1.8=1, 1783/3.0=1 HA GLU 33 - HD3 ARG 27 lone 7 92 - 8 - 4650/3.0=2, 1799/1.8=1 HA LEU 12 - HD3 ARG 27 lone 7 97 - 7 - 1799/1.8=1 HA ASP 82 - HD3 ARG 27 lone 6 100 - 6 - 1799/1.8=1 HA ASN 63 - HD3 ARG 27 lone 6 100 - 6 - 1799/1.8=1 Peak 1808 from cnoeabs.peaks (1.77, 3.59, 42.18 ppm; 4.65 A): 4 out of 14 assignments used, quality = 1.00: * HB2 ARG 27 + HD3 ARG 27 OK 100 100 - 100 - 3.5=100 HB2 LYS 31 + HD3 ARG 27 OK 84 97 - 87 - 1932/3.0=11, 3.0/1807=9...(49) HB3 ARG 28 + HD3 ARG 27 OK 67 98 - 69 - 4.0/113=19, ~1821=7...(27) HB2 ARG 28 + HD3 ARG 27 OK 66 97 - 69 - 4.0/113=19, ~1821=7...(27) HD3 LYS 78 - HD3 ARG 27 OK 41 99 - 42 - 3351/3.5=6, ~3341=3...(21) QB ALA 74 - HD3 ARG 27 OK 39 100 - 39 - 5721/1.8=6, 5717/3.0=5...(19) HB2 LEU 73 - HD3 ARG 27 OK 37 78 - 47 - ~4551=4, ~4544=3...(24) HB2 MET 48 - HD3 ARG 27 OK 21 87 - 24 - 4907/4539=2, 1792/3.0=2...(7) HG3 GLU 37 - HD3 ARG 27 OK 20 96 - 21 - 4.9/171=4, 1792/3.0=1...(6) HB2 LYS 65 - HD3 ARG 27 OK 18 96 - 18 - 4.4/822=3, 1800/1.8=1...(5) HB3 MET 48 - HD3 ARG 27 OK 17 73 - 23 - 4908/4539=2, 4898/3.0=2...(6) HB2 LYS 91 - HD3 ARG 27 OK 17 89 - 19 - 3710/3.5=2, 1.8/1809=1...(7) QE MET 11 - HD3 ARG 27 OK 12 99 - 12 - 4247/4539=1 HB3 GLN 55 - HD3 ARG 27 OK 11 68 - 16 - 4.5/4539=3, 5188/4538=1 Peak 1809 from cnoeabs.peaks (1.70, 3.59, 42.18 ppm; 4.36 A): 4 out of 11 assignments used, quality = 1.00: * HB3 ARG 27 + HD3 ARG 27 OK 100 100 - 100 - 3.5=100 HB3 LYS 31 + HD3 ARG 27 OK 82 100 - 82 - 3.0/1807=8, 3.0/1810=8...(44) HB2 LEU 30 + HD3 ARG 27 OK 78 99 - 79 - ~4595=14, 1801/1.8=8...(34) HD3 LYS 31 + HD3 ARG 27 OK 45 71 - 64 - 3.0/1810=8, ~1802=6...(35) HD2 LYS 31 - HD3 ARG 27 OK 42 65 - 64 - 3.0/1810=8, ~1802=6...(35) HG2 LYS 78 - HD3 ARG 27 OK 39 100 - 39 - 3324/3.5=4, 1801/1.8=3...(21) HB3 LEU 73 - HD3 ARG 27 OK 27 65 - 41 - ~4551=3, ~4548=3...(20) HB3 LYS 17 - HD3 ARG 27 OK 16 78 - 20 - 1801/1.8=1, 1785/3.0=1...(6) HB3 LYS 91 - HD3 ARG 27 OK 16 97 - 16 - 3719/3.5=2, 1801/1.8=1...(6) HB2 LYS 17 - HD3 ARG 27 OK 16 76 - 20 - 1801/1.8=1, 1785/3.0=1...(6) HB3 GLU 51 - HD3 ARG 27 OK 13 92 - 15 - 5088/113=2, 1793/3.0=1...(4) Peak 1810 from cnoeabs.peaks (1.42, 3.59, 42.18 ppm; 4.27 A): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 27 + HD3 ARG 27 OK 100 100 - 100 - 3.0=100 HG2 LYS 31 + HD3 ARG 27 OK 74 97 - 76 - 1802/1.8=10, 1794/3.0=9...(36) HB3 LEU 34 - HD3 ARG 27 OK 44 100 - 44 - 1802/1.8=6, 1794/3.0=6...(19) HD2 LYS 44 - HD3 ARG 27 OK 32 100 - 32 - 1802/1.8=4, 1794/3.0=4...(14) HD3 LYS 56 - HD3 ARG 27 OK 28 71 - 39 - 1802/1.8=4, 1794/3.0=3...(14) HB3 LYS 64 - HD3 ARG 27 poor 10 76 - 12 - 1794/3.0=1, 1802/1.8=1 HG2 LYS 65 - HD3 ARG 27 poor 8 63 - 13 - 1802/1.8=1 Peak 1811 from cnoeabs.peaks (1.52, 3.59, 42.18 ppm; 4.10 A): 3 out of 16 assignments used, quality = 1.00: * HG3 ARG 27 + HD3 ARG 27 OK 100 100 - 100 - 3.0=100 HG LEU 30 + HD3 ARG 27 OK 59 78 - 76 - ~4595=15, 2.1/4553=7...(32) QB ALA 71 + HD3 ARG 27 OK 51 100 - 51 - 3.7/3881=6, ~5655=5...(20) HB3 LYS 26 - HD3 ARG 27 OK 41 100 - 41 - 3868/5.9=11, 2.9/4554=4...(15) HG LEU 34 - HD3 ARG 27 OK 39 100 - 39 - 2092/3.0=5, 3.0/1810=4...(17) HD2 LYS 56 - HD3 ARG 27 OK 37 93 - 40 - 1.8/1810=3, 1803/1.8=3...(16) HB2 LYS 56 - HD3 ARG 27 OK 32 89 - 36 - 1803/1.8=3, 3.4/1810=2...(13) QB ALA 72 - HD3 ARG 27 OK 28 71 - 40 - 2.9/3881=7, ~3880=5...(19) HD3 LYS 17 - HD3 ARG 27 OK 21 98 - 21 - 1803/1.8=2, 1787/3.0=1...(6) HD2 LYS 17 - HD3 ARG 27 OK 21 98 - 21 - 1803/1.8=2, 1787/3.0=1...(6) HG2 GLU 37 - HD3 ARG 27 OK 15 90 - 16 - 4.9/171=3, 2187/3.5=1 HB3 LYS 44 - HD3 ARG 27 OK 14 76 - 19 - 3.7/1810=3, 2272/3.0=2...(7) HB3 LEU 87 - HD3 ARG 27 OK 13 93 - 14 - 3.1/4553=1, 1803/1.8=1 HB2 LEU 85 - HD3 ARG 27 OK 11 100 - 11 - HD3 LYS 64 - HD3 ARG 27 OK 10 99 - 10 - HB2 ARG 45 - HD3 ARG 27 lone 4 98 - 4 - Peak 1812 from cnoeabs.peaks (3.18, 3.59, 42.18 ppm; 3.22 A): 1 out of 7 assignments used, quality = 1.00: * HD2 ARG 27 + HD3 ARG 27 OK 100 100 - 100 - 1.8=100 HD2 ARG 28 - HD3 ARG 27 OK 26 76 - 34 - 5.9/113=5, 1861/1.8=4...(20) HB2 PHE 80 - HD3 ARG 27 OK 25 99 - 25 - 5.8/4538=3, 5999/2.9=3...(13) HD3 ARG 28 - HD3 ARG 27 OK 25 73 - 34 - 5.9/113=5, 1868/1.8=3...(20) HB2 PHE 57 - HD3 ARG 27 OK 21 85 - 25 - 5.8/4538=2, ~4566=2...(10) HB3 HIS 42 - HD3 ARG 27 OK 16 87 - 18 - ~2220=2, 3.0/1807=2...(10) HD3 PRO 81 - HD3 ARG 27 lone 3 63 - 5 - Peak 1813 from cnoeabs.peaks (3.59, 3.59, 42.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 27 + HD3 ARG 27 OK 100 100 - 100 Peak 1814 from cnoeabs.peaks (8.35, 4.41, 55.68 ppm; 3.52 A): 3 out of 6 assignments used, quality = 1.00: * H ARG 28 + HA ARG 28 OK 100 100 - 100 - 3.0=100 H ALA 72 + HA ARG 28 OK 54 100 - 54 - 1004/3.6=11, 4.6/4568=7...(18) H TYR 70 + HA ARG 28 OK 51 90 - 57 - 843=12, 4.6/4568=7...(21) H ASN 90 - HA ARG 28 lone 2 68 - 3 - H GLY 39 - HA ARG 28 lone 2 71 - 2 - H GLY 40 - HA ARG 28 lone 1 71 - 2 - Peak 1815 from cnoeabs.peaks (4.41, 4.41, 55.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 28 + HA ARG 28 OK 100 100 - 100 Peak 1816 from cnoeabs.peaks (1.79, 4.41, 55.68 ppm; 3.06 A): 2 out of 17 assignments used, quality = 1.00: * HB2 ARG 28 + HA ARG 28 OK 100 100 - 100 - 3.0=100 HB3 ARG 28 + HA ARG 28 OK 83 83 - 100 - 3.0=100 HB2 ARG 27 - HA ARG 28 OK 43 97 - 45 - 623/3.0=6, 4.0/4556=6...(17) QB ALA 74 - HA ARG 28 OK 20 97 - 21 - 2.9/1081=5, 5733/3.0=2...(5) HB2 LYS 31 - HA ARG 28 OK 13 100 - 13 - 623/3.0=2, ~109=1, ~110=1 HB2 LYS 91 - HA ARG 28 OK 11 99 - 11 - 3713/3.8=1, 3710/3.8=1 QE MET 11 - HA ARG 28 lone 6 87 - 7 - 4252/3.0=1, 4246/4577=1 HB2 MET 48 - HA ARG 28 lone 5 99 - 5 - HG2 GLU 51 - HA ARG 28 lone 5 81 - 7 - ~5088=2 HG3 GLU 51 - HA ARG 28 lone 5 78 - 7 - ~5088=2 HD3 LYS 78 - HA ARG 28 lone 4 100 - 4 - HG LEU 76 - HA ARG 28 lone 3 81 - 4 - HB2 LYS 65 - HA ARG 28 lone 3 100 - 3 - HG3 GLU 37 - HA ARG 28 lone 3 100 - 3 - HB2 LYS 44 - HA ARG 28 lone 1 63 - 2 - HB2 GLU 37 - HA ARG 28 lone 1 60 - 1 - HB3 GLU 33 - HA ARG 28 lone 1 63 - 1 - Peak 1817 from cnoeabs.peaks (1.77, 4.41, 55.68 ppm; 3.04 A): 3 out of 14 assignments used, quality = 1.00: * HB3 ARG 28 + HA ARG 28 OK 100 100 - 100 - 3.0=100 HB2 ARG 28 + HA ARG 28 OK 83 83 - 100 - 3.0=100 HB2 LEU 73 + HA ARG 28 OK 48 95 - 51 - 4206=9, 1.8/4208=8...(18) HB2 ARG 27 - HA ARG 28 OK 43 98 - 44 - 4.0/4556=6, 624/3.0=6...(17) QB ALA 74 - HA ARG 28 OK 21 98 - 21 - 2.9/1081=5, 5733/3.0=2...(5) HB3 GLN 55 - HA ARG 28 OK 16 89 - 18 - 2586=3, 1.8/2578=3...(5) HB2 LYS 31 - HA ARG 28 poor 10 83 - 11 - 108/3.0=2, ~109=1, ~110=1 QE MET 11 - HA ARG 28 lone 8 100 - 8 - 4252/3.0=1, 4246/4577=1 HB2 LYS 91 - HA ARG 28 lone 6 68 - 9 - HB3 MET 48 - HA ARG 28 lone 5 92 - 5 - HB2 MET 48 - HA ARG 28 lone 3 65 - 5 - HD3 LYS 78 - HA ARG 28 lone 3 89 - 3 - HB2 LYS 65 - HA ARG 28 lone 2 81 - 3 - HG3 GLU 37 - HA ARG 28 lone 2 81 - 2 - Peak 1818 from cnoeabs.peaks (1.66, 4.41, 55.68 ppm; 3.37 A): 3 out of 11 assignments used, quality = 1.00: * HG2 ARG 28 + HA ARG 28 OK 94 100 - 94 - 3.8=71, 3.0/1821=12...(35) HG3 ARG 28 + HA ARG 28 OK 94 100 - 94 - 3.8=71, 3.0/1821=12...(35) HB3 LEU 73 + HA ARG 28 OK 54 97 - 56 - 4208=12, 1.8/4206=10...(20) HD2 LYS 31 - HA ARG 28 OK 13 97 - 13 - ~110=2, 625/3.0=2 HD3 LYS 31 - HA ARG 28 OK 12 95 - 13 - ~110=2, 625/3.0=2 HB3 GLU 51 - HA ARG 28 poor 9 76 - 12 - 5089/3.6=3, 5088/3.0=3 HB3 LYS 91 - HA ARG 28 poor 7 65 - 11 - 1.8/1816=1, 3719/3.0=1 HD2 LYS 91 - HA ARG 28 lone 6 76 - 8 - HD3 LYS 91 - HA ARG 28 lone 6 73 - 8 - HB3 LYS 14 - HA ARG 28 lone 2 93 - 2 - HB2 LYS 14 - HA ARG 28 lone 2 93 - 2 - Peak 1819 from cnoeabs.peaks (1.66, 4.41, 55.68 ppm; 3.37 A): 3 out of 12 assignments used, quality = 1.00: * HG3 ARG 28 + HA ARG 28 OK 94 100 - 94 - 3.8=71, 3.0/1821=12...(35) HG2 ARG 28 + HA ARG 28 OK 94 100 - 94 - 3.8=71, 3.0/1821=12...(35) HB3 LEU 73 + HA ARG 28 OK 55 98 - 56 - 4208=12, 1.8/4206=10...(20) HD2 LYS 31 - HA ARG 28 OK 13 98 - 13 - ~110=2, 625/3.0=2 HD3 LYS 31 - HA ARG 28 OK 12 97 - 13 - ~110=2, 625/3.0=2 HB2 LEU 30 - HA ARG 28 OK 11 60 - 19 - 4.0/4568=6, ~4557=3...(6) HB3 GLU 51 - HA ARG 28 poor 10 81 - 12 - 5089/3.6=3, 5088/3.0=3 HB3 LYS 91 - HA ARG 28 poor 8 71 - 11 - 3719/3.0=1, 1.8/1816=1...(4) HD2 LYS 91 - HA ARG 28 lone 6 71 - 8 - HD3 LYS 91 - HA ARG 28 lone 6 68 - 8 - HB2 LYS 14 - HA ARG 28 lone 2 90 - 2 - HB3 LYS 14 - HA ARG 28 lone 2 90 - 2 - Peak 1820 from cnoeabs.peaks (3.16, 4.41, 55.68 ppm; 4.52 A): 3 out of 5 assignments used, quality = 1.00: * HD2 ARG 28 + HA ARG 28 OK 99 100 - 99 - 4.7=88, 1.8/1821=27...(26) HD3 PRO 81 + HA ARG 28 OK 52 100 - 52 - 3456=12, 1.8/3449=8...(14) HD2 ARG 27 + HA ARG 28 OK 49 76 - 65 - ~113=15, 5.9/4556=9...(21) HB2 PHE 57 - HA ARG 28 OK 26 100 - 26 - 627/3.0=5, 5253/3.0=3...(9) HB2 PHE 80 - HA ARG 28 OK 20 89 - 23 - 4.8/3456=6, 4.8/3449=5...(6) Peak 1821 from cnoeabs.peaks (3.21, 4.41, 55.68 ppm; 4.14 A): 2 out of 3 assignments used, quality = 0.97: * HD3 ARG 28 + HA ARG 28 OK 95 100 - 95 - 4.7=67, 1.8/1855=18...(26) HD2 ARG 27 + HA ARG 28 OK 45 73 - 61 - ~113=13, 628/3.0=11...(21) HB3 HIS 42 - HA ARG 28 OK 14 99 - 13 - 628/3.0=4, 121/3.6=2...(4) Peak 1822 from cnoeabs.peaks (8.35, 1.79, 30.87 ppm; 3.36 A): 3 out of 12 assignments used, quality = 0.96: * H ARG 28 + HB2 ARG 28 OK 81 100 - 81 - 4.0=59, 624/1.8=9...(16) H ARG 28 + HB3 ARG 28 OK 67 83 - 81 - 4.0=59, 623/1.8=10...(16) H ALA 72 + HB2 ARG 28 OK 42 100 - 42 - 1004/4.6=7, 1814/3.0=6...(14) H TYR 70 - HB2 ARG 28 OK 38 90 - 42 - 843/3.0=7, 3.0/1823=4...(17) H ALA 72 - HB3 ARG 28 OK 35 82 - 43 - 1004/4.6=7, 1814/3.0=6...(17) H TYR 70 - HB3 ARG 28 OK 27 69 - 40 - 843/3.0=7, 3.0/1823=3...(18) H ASN 90 - HB2 ARG 28 lone 2 68 - 3 - H GLY 39 - HB2 ARG 28 lone 1 71 - 2 - H ASN 90 - HB3 ARG 28 lone 1 50 - 2 - H GLY 40 - HB2 ARG 28 lone 1 71 - 1 - H GLY 39 - HB3 ARG 28 lone 1 52 - 2 - H GLY 40 - HB3 ARG 28 lone 1 52 - 1 - Peak 1823 from cnoeabs.peaks (4.41, 1.79, 30.87 ppm; 3.43 A): 3 out of 8 assignments used, quality = 1.00: * HA ARG 28 + HB2 ARG 28 OK 100 100 - 100 - 3.0=100 HA ARG 28 + HB3 ARG 28 OK 83 83 - 100 - 3.0=100 HA TYR 70 + HB2 ARG 28 OK 54 98 - 55 - 4205/1.8=8, 4204/4.6=6...(26) HA TYR 70 - HB3 ARG 28 OK 42 78 - 54 - 4204/4.6=6, 622/4.0=6...(26) HA PRO 81 - HB2 ARG 28 OK 19 99 - 19 - 1855/4.0=3, 115/4.6=2...(9) HA GLN 55 - HB2 ARG 28 OK 17 97 - 17 - 2572/1.8=3, 622/4.0=1...(6) HA PRO 81 - HB3 ARG 28 OK 15 80 - 19 - 1855/4.0=3, 115/4.6=2...(10) HA GLN 55 - HB3 ARG 28 OK 13 76 - 17 - 2572=2, 622/4.0=1...(6) Peak 1824 from cnoeabs.peaks (1.79, 1.79, 30.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 28 + HB2 ARG 28 OK 100 100 - 100 HB3 ARG 28 + HB3 ARG 28 OK 62 62 - 100 Peak 1825 from cnoeabs.peaks (1.77, 1.79, 30.87 ppm; diagonal): 2 out of 2 assignments used, quality = 0.97: HB3 ARG 28 + HB3 ARG 28 OK 83 83 - 100 HB2 ARG 28 + HB2 ARG 28 OK 83 83 - 100 Reference assignment not found: HB3 ARG 28 - HB2 ARG 28 Peak 1826 from cnoeabs.peaks (1.66, 1.79, 30.87 ppm; 2.76 A): 4 out of 22 assignments used, quality = 1.00: * HG2 ARG 28 + HB2 ARG 28 OK 91 100 - 91 - 3.0=80, 1.8/1840=6...(24) HG3 ARG 28 + HB2 ARG 28 OK 91 100 - 91 - 3.0=80, 1.8/1840=6...(24) HG2 ARG 28 + HB3 ARG 28 OK 75 83 - 91 - 3.0=80, 1840/1.8=6...(24) HG3 ARG 28 + HB3 ARG 28 OK 75 83 - 91 - 3.0=80, 1840/1.8=6...(24) HB3 LEU 73 - HB2 ARG 28 OK 30 97 - 31 - 4208/3.0=5, 3177/1.8=4...(14) HB3 LEU 73 - HB3 ARG 28 OK 23 76 - 30 - 4208/3.0=5, 3175/4.6=3...(14) HB3 LYS 91 - HB2 ARG 28 poor 10 65 - 15 - 3719=2 HD2 LYS 31 - HB2 ARG 28 lone 9 97 - 9 - HD3 LYS 31 - HB2 ARG 28 lone 9 95 - 9 - HD2 LYS 91 - HB2 ARG 28 poor 8 76 - 10 - HD3 LYS 91 - HB2 ARG 28 poor 8 73 - 10 - HD2 LYS 31 - HB3 ARG 28 lone 7 76 - 9 - HD3 LYS 31 - HB3 ARG 28 lone 7 74 - 9 - HB3 LYS 91 - HB3 ARG 28 poor 7 47 - 14 - 3719/1.8=1, 3719=1 HD2 LYS 91 - HB3 ARG 28 lone 5 56 - 10 - HB3 GLU 51 - HB2 ARG 28 lone 5 76 - 7 - 5089/4.6=2, 5088/4.0=2 HD3 LYS 91 - HB3 ARG 28 lone 5 54 - 10 - HB3 GLU 51 - HB3 ARG 28 lone 4 56 - 7 - 5089/4.6=2, 5088/4.0=2 HB3 LYS 14 - HB2 ARG 28 lone 1 93 - 1 - HB2 LYS 14 - HB2 ARG 28 lone 1 93 - 1 - HB3 LYS 14 - HB3 ARG 28 lone 1 72 - 1 - HB2 LYS 14 - HB3 ARG 28 lone 1 72 - 1 - Peak 1827 from cnoeabs.peaks (1.66, 1.79, 30.87 ppm; 2.76 A): 4 out of 24 assignments used, quality = 1.00: * HG3 ARG 28 + HB2 ARG 28 OK 91 100 - 91 - 3.0=80, 1.8/1840=6...(24) HG2 ARG 28 + HB2 ARG 28 OK 91 100 - 91 - 3.0=80, 1.8/1840=6...(24) HG3 ARG 28 + HB3 ARG 28 OK 75 83 - 91 - 3.0=80, 1840/1.8=6...(24) HG2 ARG 28 + HB3 ARG 28 OK 75 83 - 91 - 3.0=80, 1840/1.8=6...(24) HB3 LEU 73 - HB2 ARG 28 OK 30 98 - 31 - 4208/3.0=5, 3177/1.8=5...(14) HB3 LEU 73 - HB3 ARG 28 OK 23 78 - 30 - 4208/3.0=5, 3175/4.6=3...(14) HB3 LYS 91 - HB2 ARG 28 OK 11 71 - 15 - 3719=2, 3723/3.0=1 HD2 LYS 31 - HB2 ARG 28 lone 9 98 - 9 - HD3 LYS 31 - HB2 ARG 28 lone 9 97 - 9 - HB3 LYS 91 - HB3 ARG 28 poor 7 52 - 14 - 3719/1.8=2, 3719=1, 3723/3.0=1 HD2 LYS 91 - HB2 ARG 28 poor 7 71 - 10 - HD2 LYS 31 - HB3 ARG 28 lone 7 78 - 9 - HD3 LYS 31 - HB3 ARG 28 lone 7 76 - 9 - HD3 LYS 91 - HB2 ARG 28 poor 7 68 - 10 - HB3 GLU 51 - HB2 ARG 28 lone 6 81 - 7 - 5089/4.6=2, 5088/4.0=2 HD2 LYS 91 - HB3 ARG 28 lone 5 52 - 10 - HD3 LYS 91 - HB3 ARG 28 lone 5 50 - 10 - HB3 GLU 51 - HB3 ARG 28 lone 4 60 - 7 - 5089/4.6=2, 5088/4.0=2 HB2 LEU 30 - HB2 ARG 28 lone 3 60 - 4 - HB2 LEU 30 - HB3 ARG 28 lone 2 43 - 4 - HB2 LYS 14 - HB2 ARG 28 lone 1 90 - 1 - HB3 LYS 14 - HB2 ARG 28 lone 1 90 - 1 - HB3 LYS 14 - HB3 ARG 28 lone 1 69 - 1 - HB2 LYS 14 - HB3 ARG 28 lone 1 69 - 1 - Peak 1828 from cnoeabs.peaks (3.16, 1.79, 30.87 ppm; 4.02 A): 2 out of 10 assignments used, quality = 1.00: * HD2 ARG 28 + HB2 ARG 28 OK 100 100 - 100 - 4.0=100 HD2 ARG 28 + HB3 ARG 28 OK 83 83 - 100 - 4.0=100 HD2 ARG 27 - HB2 ARG 28 OK 36 76 - 48 - 3880/4.0=6, 1820/3.0=5...(22) HD3 PRO 81 - HB2 ARG 28 OK 33 100 - 33 - 3456/3.0=6, ~3449=4...(14) HB2 PHE 57 - HB2 ARG 28 OK 29 100 - 29 - 5253=5, 5253/1.8=4...(11) HD2 ARG 27 - HB3 ARG 28 OK 27 56 - 48 - 3880/4.0=6, 1820/3.0=5...(22) HD3 PRO 81 - HB3 ARG 28 OK 27 81 - 33 - 3456/3.0=6, ~3449=4...(13) HB2 PHE 57 - HB3 ARG 28 OK 23 82 - 28 - 5253=5, 5253/1.8=4...(10) HB2 PHE 80 - HB2 ARG 28 OK 11 89 - 13 - 1820/3.0=2, 627/4.0=2, 120/4.6=1 HB2 PHE 80 - HB3 ARG 28 poor 8 68 - 12 - 1820/3.0=2, 627/4.0=2, 120/4.6=1 Peak 1829 from cnoeabs.peaks (3.21, 1.79, 30.87 ppm; 4.09 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 28 + HB2 ARG 28 OK 100 100 - 100 - 4.0=100 HD3 ARG 28 + HB3 ARG 28 OK 83 83 - 100 - 4.0=100 HD2 ARG 27 - HB2 ARG 28 OK 39 73 - 53 - 1821/3.0=9, 628/4.0=8...(22) HD2 ARG 27 - HB3 ARG 28 OK 28 54 - 53 - 1821/3.0=9, 628/4.0=8...(22) HB3 HIS 42 - HB2 ARG 28 OK 12 99 - 12 - 628/4.0=3, 1821/3.0=3...(6) HB3 HIS 42 - HB3 ARG 28 poor 10 81 - 12 - 628/4.0=3, 1821/3.0=3...(6) Peak 1830 from cnoeabs.peaks (8.35, 1.77, 30.87 ppm; 3.39 A): 3 out of 12 assignments used, quality = 0.97: * H ARG 28 + HB3 ARG 28 OK 82 100 - 82 - 4.0=61, 623/1.8=10...(16) H ARG 28 + HB2 ARG 28 OK 68 83 - 82 - 4.0=61, 624/1.8=9...(16) H ALA 72 + HB3 ARG 28 OK 45 100 - 45 - 1004/4.6=7, 1814/3.0=6...(16) H TYR 70 - HB3 ARG 28 OK 39 90 - 43 - 843/3.0=7, 3.0/4205=6...(18) H ALA 72 - HB2 ARG 28 OK 34 82 - 42 - 1004/4.6=7, 1814/3.0=6...(14) H TYR 70 - HB2 ARG 28 OK 29 69 - 42 - 843/3.0=7, ~4205=3...(19) H ASN 90 - HB3 ARG 28 lone 2 68 - 2 - H GLY 39 - HB3 ARG 28 lone 1 71 - 2 - H ASN 90 - HB2 ARG 28 lone 1 50 - 2 - H GLY 40 - HB3 ARG 28 lone 1 71 - 2 - H GLY 39 - HB2 ARG 28 lone 1 52 - 2 - H GLY 40 - HB2 ARG 28 lone 1 52 - 1 - Peak 1831 from cnoeabs.peaks (4.41, 1.77, 30.87 ppm; 3.43 A): 3 out of 8 assignments used, quality = 1.00: * HA ARG 28 + HB3 ARG 28 OK 100 100 - 100 - 3.0=100 HA ARG 28 + HB2 ARG 28 OK 83 83 - 100 - 3.0=100 HA TYR 70 + HB3 ARG 28 OK 57 98 - 58 - 4205=11, 4204/4.6=6...(27) HA TYR 70 - HB2 ARG 28 OK 43 78 - 55 - 4205/1.8=8, 4204/4.6=6...(26) HA GLN 55 - HB3 ARG 28 OK 21 97 - 22 - 2572=4, 2.9/753=2...(9) HA PRO 81 - HB3 ARG 28 OK 20 99 - 20 - 1855/4.0=3, 115/4.6=2...(10) HA PRO 81 - HB2 ARG 28 OK 15 80 - 19 - 1855/4.0=3, 115/4.6=2...(10) HA GLN 55 - HB2 ARG 28 OK 13 76 - 17 - 2572/1.8=3, 622/4.0=1...(6) Peak 1832 from cnoeabs.peaks (1.79, 1.77, 30.87 ppm; diagonal): 2 out of 2 assignments used, quality = 0.97: HB3 ARG 28 + HB3 ARG 28 OK 83 83 - 100 HB2 ARG 28 + HB2 ARG 28 OK 83 83 - 100 Reference assignment not found: HB2 ARG 28 - HB3 ARG 28 Peak 1833 from cnoeabs.peaks (1.77, 1.77, 30.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 28 + HB3 ARG 28 OK 100 100 - 100 HB2 ARG 28 + HB2 ARG 28 OK 62 62 - 100 Peak 1834 from cnoeabs.peaks (1.66, 1.77, 30.87 ppm; 2.77 A): 4 out of 22 assignments used, quality = 1.00: * HG2 ARG 28 + HB3 ARG 28 OK 92 100 - 92 - 3.0=82, 1840/1.8=6...(24) HG3 ARG 28 + HB3 ARG 28 OK 92 100 - 92 - 3.0=82, 1840/1.8=6...(24) HG2 ARG 28 + HB2 ARG 28 OK 76 83 - 91 - 3.0=82, 1841/1.8=6...(24) HG3 ARG 28 + HB2 ARG 28 OK 75 83 - 91 - 3.0=82, 1841/1.8=6...(24) HB3 LEU 73 - HB3 ARG 28 OK 34 97 - 36 - 3177=6, 4208/3.0=5...(15) HB3 LEU 73 - HB2 ARG 28 OK 23 76 - 31 - 4208/3.0=5, 3177/1.8=4...(14) HD2 LYS 31 - HB3 ARG 28 lone 9 97 - 9 - HB3 LYS 91 - HB3 ARG 28 poor 9 65 - 13 - 3719/1.8=1 HD3 LYS 31 - HB3 ARG 28 lone 8 95 - 9 - HD2 LYS 31 - HB2 ARG 28 lone 7 76 - 9 - HD2 LYS 91 - HB3 ARG 28 lone 7 76 - 9 - HD3 LYS 31 - HB2 ARG 28 lone 7 74 - 9 - HD3 LYS 91 - HB3 ARG 28 lone 7 73 - 9 - HB3 LYS 91 - HB2 ARG 28 poor 6 47 - 13 - 3719=1 HB3 GLU 51 - HB3 ARG 28 lone 5 76 - 7 - 5089/4.6=2, 5088/4.0=2 HD2 LYS 91 - HB2 ARG 28 lone 5 56 - 9 - HD3 LYS 91 - HB2 ARG 28 lone 5 54 - 9 - HB3 GLU 51 - HB2 ARG 28 lone 3 56 - 6 - 5089/4.6=2, 5088/4.0=2 HB3 LYS 14 - HB3 ARG 28 lone 1 93 - 1 - HB2 LYS 14 - HB3 ARG 28 lone 1 93 - 1 - HB3 LYS 14 - HB2 ARG 28 lone 1 72 - 1 - HB2 LYS 14 - HB2 ARG 28 lone 1 72 - 1 - Peak 1835 from cnoeabs.peaks (1.66, 1.77, 30.87 ppm; 2.77 A): 4 out of 24 assignments used, quality = 1.00: * HG3 ARG 28 + HB3 ARG 28 OK 92 100 - 92 - 3.0=82, 1840/1.8=6...(24) HG2 ARG 28 + HB3 ARG 28 OK 92 100 - 92 - 3.0=82, 1840/1.8=6...(24) HG3 ARG 28 + HB2 ARG 28 OK 76 83 - 91 - 3.0=82, 1841/1.8=6...(24) HG2 ARG 28 + HB2 ARG 28 OK 75 83 - 91 - 3.0=82, 1841/1.8=6...(24) HB3 LEU 73 - HB3 ARG 28 OK 35 98 - 36 - 3177=6, 4208/3.0=5...(15) HB3 LEU 73 - HB2 ARG 28 OK 24 78 - 31 - 4208/3.0=5, 3177/1.8=5...(14) HB3 LYS 91 - HB3 ARG 28 poor 10 71 - 13 - 3719/1.8=2, 3723/3.0=1 HD2 LYS 31 - HB3 ARG 28 lone 9 98 - 9 - HD3 LYS 31 - HB3 ARG 28 lone 9 97 - 9 - HD2 LYS 31 - HB2 ARG 28 lone 7 78 - 9 - HB3 LYS 91 - HB2 ARG 28 poor 7 52 - 14 - 3719=1, 3723/3.0=1 HD3 LYS 31 - HB2 ARG 28 lone 7 76 - 9 - HD2 LYS 91 - HB3 ARG 28 lone 6 71 - 9 - HD3 LYS 91 - HB3 ARG 28 lone 6 68 - 9 - HB3 GLU 51 - HB3 ARG 28 lone 6 81 - 7 - 5089/4.6=2, 5088/4.0=2 HD2 LYS 91 - HB2 ARG 28 lone 5 52 - 9 - HD3 LYS 91 - HB2 ARG 28 lone 5 50 - 9 - HB3 GLU 51 - HB2 ARG 28 lone 4 60 - 6 - 5089/4.6=2, 5088/4.0=2 HB2 LEU 30 - HB3 ARG 28 lone 3 60 - 5 - HB2 LEU 30 - HB2 ARG 28 lone 2 43 - 4 - HB2 LYS 14 - HB3 ARG 28 lone 1 90 - 1 - HB3 LYS 14 - HB3 ARG 28 lone 1 90 - 1 - HB3 LYS 14 - HB2 ARG 28 lone 1 69 - 1 - HB2 LYS 14 - HB2 ARG 28 lone 1 69 - 1 - Peak 1836 from cnoeabs.peaks (3.16, 1.77, 30.87 ppm; 4.00 A): 2 out of 10 assignments used, quality = 1.00: * HD2 ARG 28 + HB3 ARG 28 OK 100 100 - 100 - 4.0=100 HD2 ARG 28 + HB2 ARG 28 OK 83 83 - 100 - 4.0=100 HD2 ARG 27 - HB3 ARG 28 OK 36 76 - 48 - 3880/4.0=6, 1820/3.0=5...(22) HD3 PRO 81 - HB3 ARG 28 OK 33 100 - 33 - 3456/3.0=6, ~3449=4...(13) HB2 PHE 57 - HB3 ARG 28 OK 28 100 - 28 - 5253=5, 5253/1.8=4...(10) HD2 ARG 27 - HB2 ARG 28 OK 26 56 - 47 - 3880/4.0=6, 1820/3.0=5...(22) HD3 PRO 81 - HB2 ARG 28 OK 26 81 - 32 - 3456/3.0=6, ~3449=4...(14) HB2 PHE 57 - HB2 ARG 28 OK 23 82 - 28 - 5253=5, 5253/1.8=4...(11) HB2 PHE 80 - HB3 ARG 28 OK 11 89 - 12 - 1820/3.0=2, 627/4.0=2, 120/4.6=1 HB2 PHE 80 - HB2 ARG 28 poor 8 68 - 12 - 1820/3.0=2, 627/4.0=2, 120/4.6=1 Peak 1837 from cnoeabs.peaks (3.21, 1.77, 30.87 ppm; 4.12 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 28 + HB3 ARG 28 OK 100 100 - 100 - 4.0=100 HD3 ARG 28 + HB2 ARG 28 OK 83 83 - 100 - 4.0=100 HD2 ARG 27 - HB3 ARG 28 OK 39 73 - 54 - 1821/3.0=9, 628/4.0=8...(22) HD2 ARG 27 - HB2 ARG 28 OK 29 54 - 54 - 1821/3.0=9, 628/4.0=8...(22) HB3 HIS 42 - HB3 ARG 28 OK 12 99 - 12 - 628/4.0=3, 1821/3.0=3...(6) HB3 HIS 42 - HB2 ARG 28 poor 10 81 - 12 - 628/4.0=3, 1821/3.0=3...(6) Peak 1838 from cnoeabs.peaks (8.35, 1.66, 27.04 ppm; 3.43 A): 2 out of 12 assignments used, quality = 0.96: H ARG 28 + HG3 ARG 28 OK 80 100 - 80 - 4.6=42, 625/1.8=13...(16) * H ARG 28 + HG2 ARG 28 OK 80 100 - 80 - 4.6=42, 625/1.8=13...(16) H TYR 70 - HG2 ARG 28 OK 41 90 - 45 - 843/3.8=6, 3.0/4207=5...(19) H ALA 72 - HG3 ARG 28 OK 41 100 - 41 - 5665=7, 5665/1.8=7...(12) H TYR 70 - HG3 ARG 28 OK 41 90 - 46 - 843/3.8=6, 3.0/4207=5...(19) H ALA 72 - HG2 ARG 28 OK 41 100 - 41 - 5665=7, 5665/1.8=7...(12) H ASN 90 - HG3 ARG 28 lone 2 68 - 2 - H ASN 90 - HG2 ARG 28 lone 2 68 - 2 - H GLY 39 - HG3 ARG 28 lone 1 71 - 2 - H GLY 39 - HG2 ARG 28 lone 1 71 - 2 - H GLY 40 - HG2 ARG 28 lone 1 71 - 1 - H GLY 40 - HG3 ARG 28 lone 1 71 - 1 - Peak 1839 from cnoeabs.peaks (4.41, 1.66, 27.04 ppm; 3.52 A): 4 out of 8 assignments used, quality = 1.00: * HA ARG 28 + HG2 ARG 28 OK 97 100 - 97 - 3.8=81, 1821/3.0=14...(35) HA ARG 28 + HG3 ARG 28 OK 97 100 - 97 - 3.8=81, 1821/3.0=14...(35) HA TYR 70 + HG3 ARG 28 OK 57 98 - 58 - 4207=10, 4207/1.8=7...(23) HA TYR 70 + HG2 ARG 28 OK 57 98 - 58 - 4207=10, 4207/1.8=7...(22) HA PRO 81 - HG3 ARG 28 OK 19 99 - 19 - 1855/3.0=4, 1863/3.0=3...(9) HA PRO 81 - HG2 ARG 28 OK 19 99 - 19 - 1855/3.0=4, 1863/3.0=3...(9) HA GLN 55 - HG2 ARG 28 OK 13 97 - 13 - 2572/3.0=2, 1855/3.0=2...(5) HA GLN 55 - HG3 ARG 28 OK 13 96 - 13 - 2572/3.0=2, 1855/3.0=2...(5) Peak 1840 from cnoeabs.peaks (1.79, 1.66, 27.04 ppm; 2.62 A): 4 out of 34 assignments used, quality = 1.00: * HB2 ARG 28 + HG2 ARG 28 OK 84 100 - 84 - 3.0=69, 1826/1.8=6...(24) HB2 ARG 28 + HG3 ARG 28 OK 84 100 - 84 - 3.0=69, 1826/1.8=6...(24) HB3 ARG 28 + HG2 ARG 28 OK 69 83 - 84 - 3.0=69, 1.8/1826=6...(24) HB3 ARG 28 + HG3 ARG 28 OK 69 83 - 84 - 3.0=69, 1.8/1826=6...(24) HB2 ARG 27 - HG3 ARG 28 OK 19 96 - 20 - 4.2/625=3, 1864/3.0=2...(5) HB2 ARG 27 - HG2 ARG 28 OK 19 97 - 20 - 4.2/625=3, 1864/3.0=2...(5) QB ALA 74 - HG3 ARG 28 OK 16 96 - 17 - 2.9/346=3, 5721/3.0=2...(6) QB ALA 74 - HG2 ARG 28 OK 16 97 - 17 - 2.9/346=3, 5721/3.0=2...(6) HB2 LYS 91 - HG3 ARG 28 OK 16 99 - 16 - 3710=2, 3710/1.8=2...(4) HB2 LYS 91 - HG2 ARG 28 OK 16 99 - 16 - 3710/1.8=2, 1.8/3723=1, 3710=1 HB2 LYS 31 - HG3 ARG 28 OK 11 100 - 10 - 1934=2, 1934/1.8=1 HB2 LYS 31 - HG2 ARG 28 OK 11 100 - 10 - 1934=2, 1934/1.8=1 HG2 GLU 51 - HG3 ARG 28 lone 3 80 - 4 - HG2 GLU 51 - HG2 ARG 28 lone 3 81 - 4 - HG3 GLU 51 - HG3 ARG 28 lone 3 78 - 4 - HG3 GLU 51 - HG2 ARG 28 lone 3 78 - 4 - HB2 MET 48 - HG2 ARG 28 lone 3 99 - 3 - HB2 MET 48 - HG3 ARG 28 lone 3 99 - 3 - QE MET 11 - HG2 ARG 28 lone 2 87 - 3 - QE MET 11 - HG3 ARG 28 lone 2 87 - 3 - HD3 LYS 78 - HG3 ARG 28 lone 2 100 - 2 - HD3 LYS 78 - HG2 ARG 28 lone 2 100 - 2 - HG LEU 76 - HG3 ARG 28 lone 1 80 - 2 - HG LEU 76 - HG2 ARG 28 lone 1 81 - 2 - HB2 LYS 65 - HG3 ARG 28 lone 1 100 - 1 - HB2 LYS 65 - HG2 ARG 28 lone 1 100 - 1 - HG3 GLU 37 - HG3 ARG 28 lone 1 100 - 1 - HG3 GLU 37 - HG2 ARG 28 lone 1 100 - 1 - HB2 GLU 37 - HG2 ARG 28 lone 0 60 - 1 - HB2 GLU 37 - HG3 ARG 28 lone 0 60 - 1 - HB2 LYS 44 - HG3 ARG 28 lone 0 63 - 1 - HB2 LYS 44 - HG2 ARG 28 lone 0 63 - 1 - HB3 GLU 33 - HG2 ARG 28 lone 0 63 - 1 - HB3 GLU 33 - HG3 ARG 28 lone 0 63 - 1 - Peak 1841 from cnoeabs.peaks (1.77, 1.66, 27.04 ppm; 2.59 A): 4 out of 28 assignments used, quality = 1.00: * HB3 ARG 28 + HG2 ARG 28 OK 83 100 - 83 - 3.0=66, 1.8/1826=6...(24) HB3 ARG 28 + HG3 ARG 28 OK 83 100 - 83 - 3.0=66, 1.8/1826=6...(24) HB2 ARG 28 + HG2 ARG 28 OK 68 83 - 82 - 3.0=66, 1.8/1834=6...(24) HB2 ARG 28 + HG3 ARG 28 OK 68 83 - 82 - 3.0=66, 1.8/1834=6...(24) HB2 LEU 73 - HG3 ARG 28 OK 33 94 - 35 - 3171=5, 3171/1.8=4...(14) HB2 LEU 73 - HG2 ARG 28 OK 33 95 - 35 - 3171=5, 3171/1.8=4...(14) HB2 ARG 27 - HG3 ARG 28 OK 18 98 - 18 - 4.2/625=3, 1865/3.0=2...(5) HB2 ARG 27 - HG2 ARG 28 OK 18 98 - 18 - 4.2/625=3, 1865/3.0=2...(5) QB ALA 74 - HG3 ARG 28 OK 17 98 - 17 - 2.9/346=3, 5721/3.0=2...(6) QB ALA 74 - HG2 ARG 28 OK 17 98 - 17 - 2.9/346=2, 5721/3.0=2...(6) HB2 LYS 91 - HG3 ARG 28 poor 10 68 - 15 - 1.8/3723=1, 3710=1...(4) HB2 LYS 91 - HG2 ARG 28 poor 10 68 - 14 - 1.8/3723=1, 3710/1.8=1 HB2 LYS 31 - HG3 ARG 28 lone 8 83 - 9 - 1934=1 HB2 LYS 31 - HG2 ARG 28 lone 8 83 - 9 - 1934=1 HB3 GLN 55 - HG2 ARG 28 lone 6 89 - 7 - 2586/3.8=1 HB3 GLN 55 - HG3 ARG 28 lone 6 88 - 7 - 2586/3.8=1 QE MET 11 - HG2 ARG 28 lone 3 100 - 3 - QE MET 11 - HG3 ARG 28 lone 3 100 - 3 - HB3 MET 48 - HG2 ARG 28 lone 3 92 - 3 - HB3 MET 48 - HG3 ARG 28 lone 3 92 - 3 - HB2 MET 48 - HG2 ARG 28 lone 2 65 - 2 - HB2 MET 48 - HG3 ARG 28 lone 2 65 - 2 - HD3 LYS 78 - HG2 ARG 28 lone 1 89 - 1 - HD3 LYS 78 - HG3 ARG 28 lone 1 88 - 1 - HB2 LYS 65 - HG2 ARG 28 lone 1 81 - 1 - HB2 LYS 65 - HG3 ARG 28 lone 1 80 - 1 - HG3 GLU 37 - HG2 ARG 28 lone 1 81 - 1 - HG3 GLU 37 - HG3 ARG 28 lone 1 80 - 1 - Peak 1842 from cnoeabs.peaks (1.66, 1.66, 27.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 28 + HG2 ARG 28 OK 100 100 - 100 HG3 ARG 28 + HG3 ARG 28 OK 100 100 - 100 Peak 1843 from cnoeabs.peaks (1.66, 1.66, 27.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 ARG 28 + HG3 ARG 28 OK 100 100 - 100 HG2 ARG 28 + HG2 ARG 28 OK 100 100 - 100 Reference assignment not found: HG3 ARG 28 - HG2 ARG 28 Peak 1844 from cnoeabs.peaks (3.16, 1.66, 27.04 ppm; 3.20 A): 2 out of 10 assignments used, quality = 1.00: * HD2 ARG 28 + HG2 ARG 28 OK 100 100 - 100 - 3.0=100 HD2 ARG 28 + HG3 ARG 28 OK 100 100 - 100 - 3.0=100 HD2 ARG 27 - HG2 ARG 28 OK 20 76 - 27 - 3880/4.6=3, 1868/3.0=3...(9) HD2 ARG 27 - HG3 ARG 28 OK 20 76 - 27 - 3880/4.6=3, 1868/3.0=3...(9) HD3 PRO 81 - HG2 ARG 28 OK 17 100 - 17 - 3456/3.8=3, 1868/3.0=2...(7) HD3 PRO 81 - HG3 ARG 28 OK 17 100 - 17 - 3456/3.8=3, 1868/3.0=2...(7) HB2 PHE 57 - HG3 ARG 28 OK 15 100 - 15 - 5253/3.0=2, 5253/3.0=2...(6) HB2 PHE 57 - HG2 ARG 28 OK 15 100 - 15 - 5253/3.0=2, 5253/3.0=2...(6) HB2 PHE 80 - HG2 ARG 28 lone 6 89 - 7 - 1820/3.8=1 HB2 PHE 80 - HG3 ARG 28 lone 6 88 - 7 - 1820/3.8=1 Peak 1845 from cnoeabs.peaks (3.21, 1.66, 27.04 ppm; 3.24 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 28 + HG2 ARG 28 OK 100 100 - 100 - 3.0=100 HD3 ARG 28 + HG3 ARG 28 OK 100 100 - 100 - 3.0=100 HD2 ARG 27 - HG2 ARG 28 OK 23 73 - 32 - 1821/3.8=4, 628/4.6=4...(10) HD2 ARG 27 - HG3 ARG 28 OK 23 73 - 32 - 1821/3.8=4, 628/4.6=4...(10) HB3 HIS 42 - HG2 ARG 28 lone 8 99 - 7 - 628/4.6=2, 1821/3.8=1 HB3 HIS 42 - HG3 ARG 28 lone 8 99 - 7 - 628/4.6=2, 1821/3.8=1 Peak 1846 from cnoeabs.peaks (8.35, 1.66, 27.04 ppm; 3.43 A): 2 out of 12 assignments used, quality = 0.96: * H ARG 28 + HG3 ARG 28 OK 80 100 - 80 - 4.6=42, 625/1.8=13...(16) H ARG 28 + HG2 ARG 28 OK 80 100 - 80 - 4.6=42, 625/1.8=13...(16) H ALA 72 - HG3 ARG 28 OK 41 100 - 41 - 5665=7, 5665/1.8=7...(12) H TYR 70 - HG3 ARG 28 OK 41 90 - 46 - 843/3.8=6, 3.0/4207=5...(19) H TYR 70 - HG2 ARG 28 OK 41 90 - 45 - 843/3.8=6, 3.0/4207=5...(19) H ALA 72 - HG2 ARG 28 OK 41 100 - 41 - 5665=7, 5665/1.8=7...(12) H ASN 90 - HG3 ARG 28 lone 2 68 - 2 - H ASN 90 - HG2 ARG 28 lone 2 68 - 2 - H GLY 39 - HG3 ARG 28 lone 1 71 - 2 - H GLY 39 - HG2 ARG 28 lone 1 71 - 2 - H GLY 40 - HG3 ARG 28 lone 1 71 - 1 - H GLY 40 - HG2 ARG 28 lone 1 71 - 1 - Peak 1847 from cnoeabs.peaks (4.41, 1.66, 27.04 ppm; 3.52 A): 4 out of 8 assignments used, quality = 1.00: * HA ARG 28 + HG3 ARG 28 OK 97 100 - 97 - 3.8=81, 1821/3.0=14...(35) HA ARG 28 + HG2 ARG 28 OK 97 100 - 97 - 3.8=81, 1821/3.0=14...(35) HA TYR 70 + HG3 ARG 28 OK 57 98 - 58 - 4207=10, 4207/1.8=7...(23) HA TYR 70 + HG2 ARG 28 OK 57 98 - 58 - 4207=10, 4207/1.8=7...(23) HA PRO 81 - HG3 ARG 28 OK 19 99 - 19 - 1855/3.0=4, 1863/3.0=3...(9) HA PRO 81 - HG2 ARG 28 OK 19 99 - 19 - 1855/3.0=4, 1863/3.0=3...(9) HA GLN 55 - HG3 ARG 28 OK 13 97 - 13 - 2572/3.0=2, 1855/3.0=2...(5) HA GLN 55 - HG2 ARG 28 OK 13 96 - 13 - 2572/3.0=2, 1855/3.0=2...(5) Peak 1848 from cnoeabs.peaks (1.79, 1.66, 27.04 ppm; 2.62 A): 4 out of 34 assignments used, quality = 1.00: * HB2 ARG 28 + HG3 ARG 28 OK 84 100 - 84 - 3.0=69, 1826/1.8=6...(24) HB2 ARG 28 + HG2 ARG 28 OK 84 100 - 84 - 3.0=69, 1826/1.8=6...(24) HB3 ARG 28 + HG3 ARG 28 OK 69 83 - 84 - 3.0=69, 1.8/1826=6...(24) HB3 ARG 28 + HG2 ARG 28 OK 69 83 - 84 - 3.0=69, 1.8/1826=6...(24) HB2 ARG 27 - HG3 ARG 28 OK 19 97 - 20 - 4.2/625=3, 1864/3.0=2...(5) HB2 ARG 27 - HG2 ARG 28 OK 19 96 - 20 - 4.2/625=3, 1864/3.0=2...(5) HB2 LYS 91 - HG3 ARG 28 OK 17 99 - 17 - 3710=2, 3710/1.8=2...(4) QB ALA 74 - HG3 ARG 28 OK 16 97 - 17 - 2.9/346=3, 5721/3.0=2...(6) QB ALA 74 - HG2 ARG 28 OK 16 96 - 17 - 2.9/346=3, 5721/3.0=2...(6) HB2 LYS 91 - HG2 ARG 28 OK 16 99 - 16 - 3710/1.8=2, 3710=2, 1.8/3723=1 HB2 LYS 31 - HG3 ARG 28 OK 11 100 - 11 - 1934=2, 1934/1.8=1 HB2 LYS 31 - HG2 ARG 28 OK 11 100 - 10 - 1934=2, 1934/1.8=1 HG2 GLU 51 - HG3 ARG 28 lone 3 81 - 4 - HG2 GLU 51 - HG2 ARG 28 lone 3 80 - 4 - HG3 GLU 51 - HG3 ARG 28 lone 3 78 - 4 - HG3 GLU 51 - HG2 ARG 28 lone 3 78 - 4 - HB2 MET 48 - HG3 ARG 28 lone 3 99 - 3 - HB2 MET 48 - HG2 ARG 28 lone 3 99 - 3 - QE MET 11 - HG3 ARG 28 lone 2 87 - 3 - QE MET 11 - HG2 ARG 28 lone 2 87 - 3 - HD3 LYS 78 - HG3 ARG 28 lone 2 100 - 2 - HD3 LYS 78 - HG2 ARG 28 lone 2 100 - 2 - HG LEU 76 - HG3 ARG 28 lone 1 81 - 2 - HG LEU 76 - HG2 ARG 28 lone 1 80 - 2 - HB2 LYS 65 - HG3 ARG 28 lone 1 100 - 1 - HB2 LYS 65 - HG2 ARG 28 lone 1 100 - 1 - HG3 GLU 37 - HG3 ARG 28 lone 1 100 - 1 - HG3 GLU 37 - HG2 ARG 28 lone 1 100 - 1 - HB2 GLU 37 - HG3 ARG 28 lone 0 60 - 1 - HB2 GLU 37 - HG2 ARG 28 lone 0 60 - 1 - HB2 LYS 44 - HG3 ARG 28 lone 0 63 - 1 - HB2 LYS 44 - HG2 ARG 28 lone 0 63 - 1 - HB3 GLU 33 - HG3 ARG 28 lone 0 63 - 1 - HB3 GLU 33 - HG2 ARG 28 lone 0 63 - 1 - Peak 1849 from cnoeabs.peaks (1.77, 1.66, 27.04 ppm; 2.59 A): 4 out of 28 assignments used, quality = 1.00: * HB3 ARG 28 + HG3 ARG 28 OK 83 100 - 83 - 3.0=66, 1.8/1826=6...(24) HB3 ARG 28 + HG2 ARG 28 OK 83 100 - 83 - 3.0=66, 1.8/1826=6...(24) HB2 ARG 28 + HG3 ARG 28 OK 68 83 - 82 - 3.0=66, 1.8/1834=6...(24) HB2 ARG 28 + HG2 ARG 28 OK 68 83 - 82 - 3.0=66, 1.8/1834=6...(24) HB2 LEU 73 - HG3 ARG 28 OK 33 95 - 35 - 3171=5, 3171/1.8=4...(14) HB2 LEU 73 - HG2 ARG 28 OK 33 94 - 35 - 3171=5, 3171/1.8=4...(14) HB2 ARG 27 - HG3 ARG 28 OK 18 98 - 18 - 4.2/625=3, 1865/3.0=2...(5) HB2 ARG 27 - HG2 ARG 28 OK 18 98 - 18 - 4.2/625=3, 1865/3.0=2...(5) QB ALA 74 - HG3 ARG 28 OK 17 98 - 17 - 2.9/346=3, 5721/3.0=2...(6) QB ALA 74 - HG2 ARG 28 OK 17 98 - 17 - 2.9/346=3, 5721/3.0=2...(6) HB2 LYS 91 - HG3 ARG 28 OK 10 68 - 15 - 1.8/3723=1, 3710=1...(4) HB2 LYS 91 - HG2 ARG 28 poor 10 68 - 14 - 1.8/3723=1, 3710/1.8=1, 3710=1 HB2 LYS 31 - HG3 ARG 28 lone 8 83 - 9 - 1934=1 HB2 LYS 31 - HG2 ARG 28 lone 8 83 - 9 - 1934=1 HB3 GLN 55 - HG3 ARG 28 lone 6 89 - 7 - 2586/3.8=1 HB3 GLN 55 - HG2 ARG 28 lone 6 88 - 7 - 2586/3.8=1 QE MET 11 - HG3 ARG 28 lone 3 100 - 3 - QE MET 11 - HG2 ARG 28 lone 3 100 - 3 - HB3 MET 48 - HG3 ARG 28 lone 3 92 - 3 - HB3 MET 48 - HG2 ARG 28 lone 3 92 - 3 - HB2 MET 48 - HG3 ARG 28 lone 2 65 - 2 - HB2 MET 48 - HG2 ARG 28 lone 2 65 - 2 - HD3 LYS 78 - HG3 ARG 28 lone 1 89 - 1 - HD3 LYS 78 - HG2 ARG 28 lone 1 88 - 1 - HB2 LYS 65 - HG3 ARG 28 lone 1 81 - 1 - HB2 LYS 65 - HG2 ARG 28 lone 1 80 - 1 - HG3 GLU 37 - HG3 ARG 28 lone 1 81 - 1 - HG3 GLU 37 - HG2 ARG 28 lone 1 80 - 1 - Peak 1850 from cnoeabs.peaks (1.66, 1.66, 27.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 ARG 28 + HG3 ARG 28 OK 100 100 - 100 HG2 ARG 28 + HG2 ARG 28 OK 100 100 - 100 Reference assignment not found: HG2 ARG 28 - HG3 ARG 28 Peak 1851 from cnoeabs.peaks (1.66, 1.66, 27.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 28 + HG3 ARG 28 OK 100 100 - 100 HG2 ARG 28 + HG2 ARG 28 OK 100 100 - 100 Peak 1852 from cnoeabs.peaks (3.16, 1.66, 27.04 ppm; 3.20 A): 2 out of 10 assignments used, quality = 1.00: * HD2 ARG 28 + HG3 ARG 28 OK 100 100 - 100 - 3.0=100 HD2 ARG 28 + HG2 ARG 28 OK 100 100 - 100 - 3.0=100 HD2 ARG 27 - HG3 ARG 28 OK 20 76 - 27 - 3880/4.6=3, 1868/3.0=3...(9) HD2 ARG 27 - HG2 ARG 28 OK 20 76 - 27 - 3880/4.6=3, 1868/3.0=3...(9) HD3 PRO 81 - HG3 ARG 28 OK 17 100 - 17 - 3456/3.8=3, 1868/3.0=2...(7) HD3 PRO 81 - HG2 ARG 28 OK 17 100 - 17 - 3456/3.8=3, 1868/3.0=2...(7) HB2 PHE 57 - HG3 ARG 28 OK 15 100 - 15 - 5253/3.0=2, 5253/3.0=2...(6) HB2 PHE 57 - HG2 ARG 28 OK 15 100 - 15 - 5253/3.0=2, 5253/3.0=2...(6) HB2 PHE 80 - HG3 ARG 28 lone 6 89 - 7 - 1820/3.8=1 HB2 PHE 80 - HG2 ARG 28 lone 6 88 - 7 - 1820/3.8=1 Peak 1853 from cnoeabs.peaks (3.21, 1.66, 27.04 ppm; 3.24 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 28 + HG3 ARG 28 OK 100 100 - 100 - 3.0=100 HD3 ARG 28 + HG2 ARG 28 OK 100 100 - 100 - 3.0=100 HD2 ARG 27 - HG3 ARG 28 OK 23 73 - 32 - 1821/3.8=4, 628/4.6=4...(10) HD2 ARG 27 - HG2 ARG 28 OK 23 73 - 32 - 1821/3.8=4, 628/4.6=4...(10) HB3 HIS 42 - HG3 ARG 28 lone 8 99 - 7 - 628/4.6=2, 1821/3.8=1 HB3 HIS 42 - HG2 ARG 28 lone 8 99 - 7 - 628/4.6=2, 1821/3.8=1 Peak 1854 from cnoeabs.peaks (8.35, 3.16, 43.10 ppm; 4.88 A): 3 out of 6 assignments used, quality = 0.99: * H ARG 28 + HD2 ARG 28 OK 95 100 - 95 - 5.9=58, 628/1.8=25...(23) H ALA 72 + HD2 ARG 28 OK 60 100 - 60 - 5665/3.0=11, 5665/3.0=11...(12) H TYR 70 + HD2 ARG 28 OK 51 90 - 56 - 3.0/1855=10, 1862/1.8=9...(13) H GLY 39 - HD2 ARG 28 lone 3 71 - 4 - H ASN 90 - HD2 ARG 28 lone 3 68 - 4 - H GLY 40 - HD2 ARG 28 lone 2 71 - 3 - Peak 1855 from cnoeabs.peaks (4.41, 3.16, 43.10 ppm; 4.17 A): 2 out of 4 assignments used, quality = 0.98: * HA ARG 28 + HD2 ARG 28 OK 95 100 - 95 - 4.7=69, 1821/1.8=24...(26) HA TYR 70 + HD2 ARG 28 OK 52 98 - 53 - 1863/1.8=10, 4207/3.0=7...(16) HA PRO 81 - HD2 ARG 28 OK 35 99 - 35 - 3469=8, 1863/1.8=5...(13) HA GLN 55 - HD2 ARG 28 OK 15 97 - 15 - 1863/1.8=3, 2572/4.0=2...(6) Peak 1856 from cnoeabs.peaks (1.79, 3.16, 43.10 ppm; 3.70 A): 2 out of 17 assignments used, quality = 0.99: * HB2 ARG 28 + HD2 ARG 28 OK 95 100 - 95 - 4.0=80, 1864/1.8=12...(23) HB3 ARG 28 + HD2 ARG 28 OK 78 83 - 94 - 4.0=80, 3.0/1855=12...(23) HB2 ARG 27 - HD2 ARG 28 OK 42 97 - 44 - 4.2/627=7, 1864/1.8=5...(19) QB ALA 74 - HD2 ARG 28 OK 33 97 - 34 - 5721=8, 2.9/5726=4...(13) HB2 LYS 91 - HD2 ARG 28 OK 18 99 - 18 - 1864/1.8=2, 3713/3.0=2...(8) HB2 LYS 31 - HD2 ARG 28 OK 12 100 - 12 - 1864/1.8=1, 1934/3.0=1...(4) HB2 MET 48 - HD2 ARG 28 lone 5 99 - 4 - HG2 GLU 51 - HD2 ARG 28 lone 4 81 - 5 - HD3 LYS 78 - HD2 ARG 28 lone 4 100 - 4 - HG3 GLU 51 - HD2 ARG 28 lone 4 78 - 5 - HG LEU 76 - HD2 ARG 28 lone 4 81 - 5 - 2.1/5769=1 QE MET 11 - HD2 ARG 28 lone 4 87 - 5 - 4252/5.9=1 HG3 GLU 37 - HD2 ARG 28 lone 3 100 - 3 - HB2 LYS 65 - HD2 ARG 28 lone 2 100 - 2 - HB2 GLU 37 - HD2 ARG 28 lone 1 60 - 1 - HB3 GLU 33 - HD2 ARG 28 lone 1 63 - 1 - HB2 LYS 44 - HD2 ARG 28 lone 1 63 - 1 - Peak 1857 from cnoeabs.peaks (1.77, 3.16, 43.10 ppm; 3.67 A): 2 out of 14 assignments used, quality = 0.99: * HB3 ARG 28 + HD2 ARG 28 OK 94 100 - 94 - 4.0=78, 3.0/1855=11...(23) HB2 ARG 28 + HD2 ARG 28 OK 77 83 - 93 - 4.0=78, 3.0/1855=11...(23) HB2 ARG 27 - HD2 ARG 28 OK 42 98 - 43 - 4.2/627=7, 1865/1.8=5...(19) HB2 LEU 73 - HD2 ARG 28 OK 38 95 - 41 - 4206/4.7=6, 3.9/3887=5...(14) QB ALA 74 - HD2 ARG 28 OK 33 98 - 33 - 5721=8, 2.9/5726=4...(13) HB2 LYS 91 - HD2 ARG 28 OK 11 68 - 16 - 1.8/1859=2, 1864/1.8=1...(7) HB3 GLN 55 - HD2 ARG 28 poor 9 89 - 10 - 3.0/1855=2, 2586/4.7=2, ~1863=1 HB2 LYS 31 - HD2 ARG 28 poor 8 83 - 10 - 1934/3.0=1, 1934/3.0=1 QE MET 11 - HD2 ARG 28 lone 5 100 - 5 - 4252/5.9=1 HB3 MET 48 - HD2 ARG 28 lone 4 92 - 5 - HD3 LYS 78 - HD2 ARG 28 lone 3 89 - 4 - HB2 MET 48 - HD2 ARG 28 lone 2 65 - 4 - HG3 GLU 37 - HD2 ARG 28 lone 2 81 - 2 - HB2 LYS 65 - HD2 ARG 28 lone 2 81 - 2 - Peak 1858 from cnoeabs.peaks (1.66, 3.16, 43.10 ppm; 3.11 A): 2 out of 11 assignments used, quality = 1.00: * HG2 ARG 28 + HD2 ARG 28 OK 100 100 - 100 - 3.0=100 HG3 ARG 28 + HD2 ARG 28 OK 100 100 - 100 - 3.0=100 HB3 LEU 73 - HD2 ARG 28 OK 28 97 - 29 - 4208/4.7=4, 3.9/3887=4...(10) HB3 LYS 91 - HD2 ARG 28 poor 9 65 - 14 - 1.8/1856=2, 1867/1.8=1...(5) HD2 LYS 91 - HD2 ARG 28 lone 7 76 - 9 - HD2 LYS 31 - HD2 ARG 28 lone 7 97 - 7 - HD3 LYS 31 - HD2 ARG 28 lone 6 95 - 7 - HD3 LYS 91 - HD2 ARG 28 lone 6 73 - 9 - HB3 GLU 51 - HD2 ARG 28 lone 5 76 - 6 - 5088/5.9=1 HB2 LYS 14 - HD2 ARG 28 lone 2 93 - 2 - HB3 LYS 14 - HD2 ARG 28 lone 2 93 - 2 - Peak 1859 from cnoeabs.peaks (1.66, 3.16, 43.10 ppm; 3.11 A): 2 out of 12 assignments used, quality = 1.00: * HG3 ARG 28 + HD2 ARG 28 OK 100 100 - 100 - 3.0=100 HG2 ARG 28 + HD2 ARG 28 OK 100 100 - 100 - 3.0=100 HB3 LEU 73 - HD2 ARG 28 OK 28 98 - 29 - 4208/4.7=4, 3.9/3887=4...(10) HB3 LYS 91 - HD2 ARG 28 OK 10 71 - 14 - 1.8/1856=2, 1867/1.8=1...(5) HD2 LYS 31 - HD2 ARG 28 lone 7 98 - 7 - HD3 LYS 31 - HD2 ARG 28 lone 7 97 - 7 - HD2 LYS 91 - HD2 ARG 28 lone 6 71 - 9 - HD3 LYS 91 - HD2 ARG 28 lone 6 68 - 9 - HB3 GLU 51 - HD2 ARG 28 lone 5 81 - 6 - 5088/5.9=2 HB2 LEU 30 - HD2 ARG 28 lone 2 60 - 3 - HB3 LYS 14 - HD2 ARG 28 lone 1 90 - 2 - HB2 LYS 14 - HD2 ARG 28 lone 1 90 - 2 - Peak 1860 from cnoeabs.peaks (3.16, 3.16, 43.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 28 + HD2 ARG 28 OK 100 100 - 100 Peak 1861 from cnoeabs.peaks (3.21, 3.16, 43.10 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 28 + HD2 ARG 28 OK 100 100 - 100 - 1.8=100 HD2 ARG 27 - HD2 ARG 28 OK 13 73 - 18 - 1.8/1812=2, 1821/4.7=2...(7) HB3 HIS 42 - HD2 ARG 28 lone 3 99 - 3 - Peak 1862 from cnoeabs.peaks (8.35, 3.21, 43.10 ppm; 5.18 A): 3 out of 6 assignments used, quality = 0.99: * H ARG 28 + HD3 ARG 28 OK 97 100 - 97 - 5.9=69, 3.0/1821=26...(23) H ALA 72 + HD3 ARG 28 OK 56 100 - 57 - 1854/1.8=12, 5665/3.0=12...(9) H TYR 70 + HD3 ARG 28 OK 53 90 - 59 - 3.0/1863=11, 1854/1.8=10...(13) H GLY 39 - HD3 ARG 28 lone 3 71 - 4 - H ASN 90 - HD3 ARG 28 lone 3 68 - 4 - H GLY 40 - HD3 ARG 28 lone 3 71 - 4 - Peak 1863 from cnoeabs.peaks (4.41, 3.21, 43.10 ppm; 4.31 A): 2 out of 4 assignments used, quality = 0.98: * HA ARG 28 + HD3 ARG 28 OK 97 100 - 97 - 4.7=76, 1855/1.8=19...(26) HA TYR 70 + HD3 ARG 28 OK 51 98 - 52 - 1855/1.8=11, 4207/3.0=8...(14) HA PRO 81 - HD3 ARG 28 OK 24 99 - 24 - 1855/1.8=7, 3.6/1868=3...(9) HA GLN 55 - HD3 ARG 28 OK 15 97 - 15 - 1855/1.8=3, 2572/4.0=3...(6) Peak 1864 from cnoeabs.peaks (1.79, 3.21, 43.10 ppm; 3.68 A): 2 out of 17 assignments used, quality = 0.99: * HB2 ARG 28 + HD3 ARG 28 OK 94 100 - 94 - 4.0=78, 3.0/1821=15...(23) HB3 ARG 28 + HD3 ARG 28 OK 78 83 - 94 - 4.0=78, 3.0/1821=15...(23) HB2 ARG 27 - HD3 ARG 28 OK 43 97 - 45 - 4.2/628=10, 1856/1.8=5...(20) QB ALA 74 - HD3 ARG 28 OK 24 97 - 25 - 5721/1.8=6, ~5724=3...(10) HB2 LYS 91 - HD3 ARG 28 OK 18 99 - 18 - 1856/1.8=2, 3713/3.0=2...(7) HB2 LYS 31 - HD3 ARG 28 OK 11 100 - 11 - 1856/1.8=1, 1934/3.0=1...(4) HG2 GLU 51 - HD3 ARG 28 lone 4 81 - 5 - HB2 MET 48 - HD3 ARG 28 lone 4 99 - 4 - HG3 GLU 51 - HD3 ARG 28 lone 4 78 - 5 - QE MET 11 - HD3 ARG 28 lone 3 87 - 4 - 4252/5.9=1 HD3 LYS 78 - HD3 ARG 28 lone 3 100 - 3 - HG LEU 76 - HD3 ARG 28 lone 2 81 - 3 - HG3 GLU 37 - HD3 ARG 28 lone 2 100 - 2 - HB2 LYS 65 - HD3 ARG 28 lone 2 100 - 2 - HB2 GLU 37 - HD3 ARG 28 lone 1 60 - 1 - HB2 LYS 44 - HD3 ARG 28 lone 1 63 - 1 - HB3 GLU 33 - HD3 ARG 28 lone 1 63 - 1 - Peak 1865 from cnoeabs.peaks (1.77, 3.21, 43.10 ppm; 3.65 A): 2 out of 14 assignments used, quality = 0.99: * HB3 ARG 28 + HD3 ARG 28 OK 93 100 - 93 - 4.0=76, 3.0/1821=15...(23) HB2 ARG 28 + HD3 ARG 28 OK 77 83 - 93 - 4.0=76, 3.0/1821=15...(23) HB2 ARG 27 - HD3 ARG 28 OK 43 98 - 44 - 4.2/628=10, 1857/1.8=5...(20) HB2 LEU 73 - HD3 ARG 28 OK 35 95 - 37 - 4206/4.7=6, 3171/3.0=5...(13) QB ALA 74 - HD3 ARG 28 OK 24 98 - 24 - 5721/1.8=6, ~5724=3...(10) HB2 LYS 91 - HD3 ARG 28 OK 11 68 - 16 - 1.8/1867=2, 1856/1.8=1...(7) HB3 GLN 55 - HD3 ARG 28 lone 8 89 - 9 - 3.0/1863=2, 2586/4.7=2...(4) HB2 LYS 31 - HD3 ARG 28 lone 8 83 - 10 - 1934/3.0=1, 1934/3.0=1 QE MET 11 - HD3 ARG 28 lone 5 100 - 5 - 4252/5.9=1 HB3 MET 48 - HD3 ARG 28 lone 4 92 - 4 - HD3 LYS 78 - HD3 ARG 28 lone 2 89 - 2 - HB2 MET 48 - HD3 ARG 28 lone 2 65 - 3 - HG3 GLU 37 - HD3 ARG 28 lone 1 81 - 2 - HB2 LYS 65 - HD3 ARG 28 lone 1 81 - 2 - Peak 1866 from cnoeabs.peaks (1.66, 3.21, 43.10 ppm; 3.15 A): 2 out of 11 assignments used, quality = 1.00: * HG2 ARG 28 + HD3 ARG 28 OK 100 100 - 100 - 3.0=100 HG3 ARG 28 + HD3 ARG 28 OK 100 100 - 100 - 3.0=100 HB3 LEU 73 - HD3 ARG 28 OK 27 97 - 28 - 4208/4.7=4, 1859/1.8=4...(10) HB3 LYS 91 - HD3 ARG 28 poor 10 65 - 15 - 1.8/1864=2, 1859/1.8=1...(5) HD2 LYS 91 - HD3 ARG 28 lone 7 76 - 9 - 3.7/1864=1 HD2 LYS 31 - HD3 ARG 28 lone 7 97 - 7 - HD3 LYS 91 - HD3 ARG 28 lone 7 73 - 9 - 3.7/1864=1 HD3 LYS 31 - HD3 ARG 28 lone 7 95 - 7 - HB3 GLU 51 - HD3 ARG 28 lone 5 76 - 6 - 5088/5.9=2 HB2 LYS 14 - HD3 ARG 28 lone 2 93 - 2 - HB3 LYS 14 - HD3 ARG 28 lone 2 93 - 2 - Peak 1867 from cnoeabs.peaks (1.66, 3.21, 43.10 ppm; 3.15 A): 2 out of 12 assignments used, quality = 1.00: * HG3 ARG 28 + HD3 ARG 28 OK 100 100 - 100 - 3.0=100 HG2 ARG 28 + HD3 ARG 28 OK 100 100 - 100 - 3.0=100 HB3 LEU 73 - HD3 ARG 28 OK 27 98 - 28 - 4208/4.7=4, 1859/1.8=4...(10) HB3 LYS 91 - HD3 ARG 28 OK 11 71 - 15 - 1.8/1864=2, 3723/3.0=1...(5) HD2 LYS 31 - HD3 ARG 28 lone 7 98 - 7 - HD3 LYS 31 - HD3 ARG 28 lone 7 97 - 7 - HD2 LYS 91 - HD3 ARG 28 lone 6 71 - 9 - 3.7/1864=1 HD3 LYS 91 - HD3 ARG 28 lone 6 68 - 9 - 3.7/1864=1 HB3 GLU 51 - HD3 ARG 28 lone 5 81 - 6 - 5088/5.9=2 HB2 LEU 30 - HD3 ARG 28 lone 2 60 - 3 - HB3 LYS 14 - HD3 ARG 28 lone 1 90 - 2 - HB2 LYS 14 - HD3 ARG 28 lone 1 90 - 2 - Peak 1868 from cnoeabs.peaks (3.16, 3.21, 43.10 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HD2 ARG 28 + HD3 ARG 28 OK 100 100 - 100 - 1.8=100 HD2 ARG 27 - HD3 ARG 28 OK 12 76 - 16 - 1.8/1812=2, 3.5/1864=1...(4) HD3 PRO 81 - HD3 ARG 28 lone 9 100 - 9 - 3456/4.7=1 HB2 PHE 57 - HD3 ARG 28 lone 6 100 - 6 - HB2 PHE 80 - HD3 ARG 28 lone 3 89 - 3 - Peak 1869 from cnoeabs.peaks (3.21, 3.21, 43.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 28 + HD3 ARG 28 OK 100 100 - 100 Peak 1870 from cnoeabs.peaks (8.59, 3.83, 46.26 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 29 + HA2 GLY 29 OK 100 100 - 100 - 3.0=100 H LEU 73 - HA2 GLY 29 OK 28 97 - 29 - 1076/1.8=11, 122/3.6=8...(6) Peak 1871 from cnoeabs.peaks (3.83, 3.83, 46.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 29 + HA2 GLY 29 OK 100 100 - 100 Peak 1872 from cnoeabs.peaks (3.87, 3.83, 46.26 ppm; 2.45 A): 1 out of 4 assignments used, quality = 1.00: * HA3 GLY 29 + HA2 GLY 29 OK 100 100 - 100 - 1.8=100 HA ALA 69 - HA2 GLY 29 lone 6 100 - 6 - 4202/3.0=2, 124/3.6=2, ~3117=1 HA GLU 77 - HA2 GLY 29 lone 3 100 - 3 - HA GLU 22 - HA2 GLY 29 lone 1 85 - 2 - Peak 1873 from cnoeabs.peaks (8.59, 3.87, 46.26 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 29 + HA3 GLY 29 OK 100 100 - 100 - 3.0=100 H LEU 73 - HA3 GLY 29 OK 36 97 - 38 - 1076=13, 122/3.6=7...(9) Peak 1874 from cnoeabs.peaks (3.83, 3.87, 46.26 ppm; 2.43 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 29 + HA3 GLY 29 OK 100 100 - 100 - 1.8=100 HD2 PRO 84 - HA3 GLY 29 lone 3 92 - 3 - Peak 1875 from cnoeabs.peaks (3.87, 3.87, 46.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 29 + HA3 GLY 29 OK 100 100 - 100 Peak 1876 from cnoeabs.peaks (8.11, 4.22, 54.95 ppm; 3.80 A): 1 out of 12 assignments used, quality = 1.00: * H LEU 30 + HA LEU 30 OK 100 100 - 100 - 2.9=100 H LEU 30 - HA LEU 87 OK 37 86 - 43 - 633=8, 4.0/1891=5...(16) H LEU 30 - HA ASP 53 OK 34 86 - 40 - 633=8, 4.0/1891=5...(15) H ALA 89 - HA LEU 30 OK 34 100 - 34 - 1897/3.7=5, 1883/3.0=5...(13) H ALA 71 - HA LEU 30 OK 30 89 - 34 - 1897/3.7=5, 1883/3.0=5...(13) H ALA 89 - HA LEU 87 OK 22 86 - 25 - 4.6/415=8, 933=4...(6) H MET 11 - HA LEU 30 OK 21 98 - 22 - 1897/3.7=3, 1883/3.0=3...(8) H ALA 71 - HA ASP 53 poor 7 71 - 10 - ~5624=2, ~5656=2, ~5652=1 H ALA 89 - HA ASP 53 lone 5 85 - 6 - H ALA 71 - HA LEU 87 lone 4 71 - 6 - H MET 11 - HA LEU 87 lone 4 82 - 4 - H MET 11 - HA ASP 53 lone 3 82 - 3 - Peak 1877 from cnoeabs.peaks (4.22, 4.22, 54.95 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LEU 30 + HA LEU 30 OK 100 100 - 100 HA ASP 53 + HA ASP 53 OK 78 78 - 100 HA LEU 87 + HA LEU 87 OK 69 69 - 100 Peak 1878 from cnoeabs.peaks (1.69, 4.22, 54.95 ppm; 3.46 A): 3 out of 33 assignments used, quality = 1.00: * HB2 LEU 30 + HA LEU 30 OK 100 100 - 100 - 3.0=100 HB3 LYS 31 + HA LEU 30 OK 53 98 - 54 - 3.9/126=16, 4600=12...(16) HB2 LEU 30 + HA LEU 87 OK 49 86 - 57 - 3.1/1912=7, 1884=7...(26) HB2 LEU 30 - HA ASP 53 OK 42 86 - 49 - 1884=7, 3.1/1912=6...(22) HB3 ARG 27 - HA LEU 30 OK 40 99 - 40 - 4544/4.0=7, 4545/3.0=6...(17) HD3 LYS 31 - HA LEU 30 OK 28 87 - 33 - 3.6/4600=9, 3.6/4599=8...(8) HG2 LYS 78 - HA LEU 87 OK 27 81 - 34 - 4090/2.9=4, ~4091=3...(14) HD2 LYS 31 - HA LEU 30 OK 27 83 - 32 - 3.6/4600=9, 3.6/4599=8...(9) HB3 LEU 73 - HA LEU 30 OK 23 83 - 28 - 3180/4.0=3, 634/2.9=3...(11) HG2 LYS 78 - HA LEU 30 OK 20 97 - 20 - 5814/4.0=3, 1892/3.0=2...(11) HB3 GLU 51 - HA LEU 30 OK 18 99 - 18 - 3.9/5053=2, 5068/4580=2...(11) HB3 GLU 51 - HA ASP 53 OK 14 83 - 17 - 5156/3.6=7, ~5136=2...(4) HB3 ARG 27 - HA ASP 53 OK 13 83 - 15 - ~4534=2, ~4536=2...(6) HB3 LYS 31 - HA ASP 53 OK 12 82 - 14 - 3.9/126=4, 4600=3...(4) HB3 LEU 73 - HA LEU 87 OK 12 65 - 18 - 3179/3.7=2, 3179/3.0=2...(5) HG2 LYS 78 - HA ASP 53 OK 10 81 - 13 - 3318/4.8=2, 5156/3.6=2 HB3 LYS 31 - HA LEU 87 OK 10 82 - 12 - 3.9/126=4, 1.8/4599=3, 4600=2 HB3 ARG 27 - HA LEU 87 lone 7 84 - 9 - 4545/4.1=1 HD3 LYS 31 - HA ASP 53 lone 6 69 - 8 - 3.6/4599=2, 3.6/4600=2 HB3 GLU 51 - HA LEU 87 lone 6 83 - 7 - 3.9/5053=1 HD2 LYS 31 - HA ASP 53 lone 5 65 - 8 - 3.6/4599=2, 3.6/4600=2 HD3 LYS 31 - HA LEU 87 lone 5 69 - 7 - 3.6/4599=2, 3.6/4600=2 HD2 LYS 31 - HA LEU 87 lone 4 65 - 7 - 3.6/4599=2, 3.6/4600=2 HB3 LYS 91 - HA LEU 30 lone 4 100 - 4 - HB3 LYS 17 - HA LEU 30 lone 4 60 - 6 - 1938/3.6=1, 4600=1 HB3 LEU 73 - HA ASP 53 lone 3 65 - 4 - HG3 ARG 28 - HA LEU 30 lone 3 60 - 4 - 634/2.9=2 HB3 LYS 91 - HA ASP 53 lone 2 85 - 2 - HB3 LYS 17 - HA LEU 87 lone 1 46 - 3 - HB3 LYS 91 - HA LEU 87 lone 1 85 - 2 - HB3 LYS 17 - HA ASP 53 lone 1 45 - 3 - HG3 ARG 28 - HA ASP 53 lone 1 45 - 1 - HG3 ARG 28 - HA LEU 87 lone 0 46 - 1 - Peak 1879 from cnoeabs.peaks (0.90, 4.22, 54.95 ppm; 2.76 A): 3 out of 24 assignments used, quality = 0.96: * HB3 LEU 30 + HA LEU 30 OK 88 100 - 88 - 3.0=79, 3.1/1912=10...(15) QD1 LEU 87 + HA LEU 87 OK 46 85 - 54 - 4.1=31, 2.1/3655=5...(17) QD2 LEU 30 + HA LEU 30 OK 35 60 - 58 - 4.0=33, 3896/3.6=6...(15) QD1 LEU 85 - HA LEU 87 OK 32 83 - 39 - 2.1/3655=4, 3648=2...(23) HB3 LEU 30 - HA LEU 87 OK 32 86 - 37 - 3.1/1912=5, 1891=4...(13) HB3 LEU 30 - HA ASP 53 OK 25 86 - 29 - 3.1/1912=4, 1891=4...(12) QD1 LEU 87 - HA LEU 30 OK 24 100 - 24 - 1886/3.0=2, 1900/3.7=2...(9) HD3 LYS 26 - HA LEU 30 OK 19 100 - 19 - 1886/3.0=2, 1732/4.0=2...(7) QD2 LEU 23 - HA LEU 30 OK 18 92 - 19 - 4480/4580=2, 1886/3.0=2...(10) QD2 LEU 30 - HA LEU 87 OK 15 46 - 34 - 1912=7, 2.1/1905=3...(14) QD2 LEU 30 - HA ASP 53 OK 12 45 - 27 - 1912=6, 2.1/1905=3...(12) QD1 LEU 85 - HA LEU 30 OK 11 99 - 11 - 1886/3.0=1 HD3 LYS 26 - HA LEU 87 poor 10 86 - 11 - 1734/4.1=1 QD2 LEU 23 - HA LEU 87 poor 8 74 - 10 - 1610/3.0=1, 1610/3.7=1 QD1 LEU 87 - HA ASP 53 lone 5 85 - 6 - QD1 LEU 76 - HA LEU 30 lone 4 89 - 5 - HD3 LYS 26 - HA ASP 53 lone 3 86 - 4 - QD1 LEU 85 - HA ASP 53 lone 3 83 - 4 - QD1 LEU 76 - HA LEU 87 lone 3 71 - 4 - 4080/3.6=1 QD2 LEU 23 - HA ASP 53 lone 3 74 - 4 - 4480/4580=1 QB ALA 75 - HA LEU 30 lone 3 60 - 5 - 6109/4580=1 QB ALA 75 - HA ASP 53 lone 2 45 - 3 - QB ALA 75 - HA LEU 87 lone 1 46 - 3 - QD1 LEU 76 - HA ASP 53 lone 1 71 - 2 - Peak 1880 from cnoeabs.peaks (1.54, 4.22, 54.95 ppm; 3.54 A): 4 out of 30 assignments used, quality = 1.00: * HG LEU 30 + HA LEU 30 OK 97 100 - 97 - 3.7=90, 2.1/1912=20...(16) HB3 LEU 87 + HA LEU 87 OK 83 83 - 100 - 3.0=100 HG LEU 30 + HA LEU 87 OK 49 86 - 57 - 2.1/1912=10, 1898=6...(26) HB3 LEU 87 + HA LEU 30 OK 46 99 - 47 - 1887/3.0=5, 636/2.9=4...(21) HG LEU 30 - HA ASP 53 OK 38 86 - 44 - 2.1/1912=9, 1898=6...(13) HB2 LEU 85 - HA LEU 87 OK 35 50 - 70 - 924/2.9=6, 3634=6...(45) HG3 ARG 27 - HA LEU 30 OK 26 78 - 34 - 1887/3.0=4, 6076/3.0=4...(14) HB3 LYS 26 - HA LEU 30 OK 22 78 - 28 - 1695/3.0=3, 1887/3.0=3...(15) QB ALA 71 - HA LEU 30 OK 21 83 - 26 - 3152/2.9=5, 5660/3.0=3...(11) HB3 LEU 87 - HA ASP 53 OK 14 83 - 17 - 3634=2, ~5133=1...(5) HB2 LEU 85 - HA LEU 30 OK 12 65 - 17 - 1894/3.0=1, 1887/3.0=1...(8) HD2 LYS 56 - HA LEU 87 OK 11 83 - 13 - 924/2.9=2, ~2669=1, ~2639=1 HG3 ARG 27 - HA ASP 53 poor 10 61 - 16 - 4536/2.9=3, ~4534=3...(4) HB3 LYS 26 - HA LEU 87 poor 9 61 - 15 - 1695/4.1=2, 1694/4.1=2...(4) QB ALA 71 - HA ASP 53 poor 8 65 - 12 - 5624/2.9=3, ~5656=2...(4) HD2 LYS 56 - HA LEU 30 lone 7 99 - 7 - 129/3.6=1 HD2 LYS 56 - HA ASP 53 lone 6 83 - 8 - 6178/3.6=1 HB3 LYS 44 - HA LEU 30 lone 6 100 - 6 - 129/3.6=2 HB2 LEU 85 - HA ASP 53 lone 5 50 - 9 - QB ALA 71 - HA LEU 87 lone 5 65 - 7 - HG3 ARG 27 - HA LEU 87 lone 4 61 - 7 - HB3 LYS 26 - HA ASP 53 lone 4 61 - 6 - HB3 LYS 44 - HA LEU 87 lone 3 86 - 3 - HD3 LYS 64 - HA LEU 30 lone 3 90 - 3 - HG LEU 34 - HA LEU 30 lone 3 71 - 4 - HD3 LYS 64 - HA LEU 87 lone 2 73 - 3 - HG LEU 34 - HA ASP 53 lone 2 54 - 4 - 2089/3.6=2 HB3 LYS 44 - HA ASP 53 lone 2 86 - 2 - HG LEU 34 - HA LEU 87 lone 1 55 - 3 - HD3 LYS 64 - HA ASP 53 lone 1 72 - 1 - Peak 1881 from cnoeabs.peaks (0.77, 4.22, 54.95 ppm; 3.83 A): 3 out of 21 assignments used, quality = 0.99: * QD1 LEU 30 + HA LEU 30 OK 96 100 - 96 - 4.0=86, 2.1/1912=22...(14) QD1 LEU 30 + HA LEU 87 OK 59 86 - 68 - 2.1/1912=10, 1905=9...(28) QD1 LEU 30 + HA ASP 53 OK 46 86 - 54 - 2.1/1912=9, 1905=8...(15) QD2 LEU 79 - HA ASP 53 OK 43 74 - 59 - ~5846=16, 5851/3.0=13...(12) QD1 LEU 73 - HA LEU 30 OK 37 99 - 38 - 1888/3.0=6, 1895/3.0=5...(15) QD1 LEU 23 - HA LEU 30 OK 31 87 - 36 - 1618/3.0=6, 1888/3.0=5...(14) HG2 LYS 26 - HA LEU 30 OK 30 78 - 39 - 1895/3.0=5, 1888/3.0=5...(18) QD1 LEU 73 - HA LEU 87 OK 23 84 - 27 - 3193/3.7=3, 5705/3.6=2...(9) QD2 LEU 79 - HA LEU 30 OK 18 92 - 19 - 1888/3.0=3, 1895/3.0=2...(9) QD2 LEU 79 - HA LEU 87 OK 17 74 - 22 - 3412/2.9=4, 5843=4...(7) QD1 LEU 23 - HA LEU 87 OK 16 69 - 23 - 1617/3.0=2, 1617/3.7=2...(6) HG2 LYS 26 - HA LEU 87 OK 15 61 - 24 - 1705/4.1=2, 1704/4.1=2 QG1 VAL 20 - HA ASP 53 poor 8 56 - 14 - 4418/2.9=5, 5142/3.0=2...(4) QD1 LEU 73 - HA ASP 53 lone 7 84 - 9 - 5134/2.9=1 HG2 LYS 26 - HA ASP 53 poor 7 61 - 12 - 5134/2.9=2, ~5133=1...(4) QD1 LEU 23 - HA ASP 53 poor 7 69 - 10 - 4481/5003=2 QG1 VAL 20 - HA LEU 30 lone 6 73 - 9 - ~4388=1, 1895/3.0=1, 1888/3.0=1 QD1 LEU 12 - HA LEU 30 lone 3 73 - 4 - QD1 LEU 12 - HA LEU 87 lone 3 57 - 5 - QD1 LEU 12 - HA ASP 53 lone 2 56 - 4 - QG1 VAL 20 - HA LEU 87 lone 2 57 - 3 - Peak 1882 from cnoeabs.peaks (0.87, 4.22, 54.95 ppm; 2.80 A): 5 out of 33 assignments used, quality = 0.94: * QD2 LEU 30 + HA LEU 30 OK 62 100 - 62 - 4.0=34, 3896/3.6=10...(15) HB3 LEU 30 + HA LEU 30 OK 54 60 - 89 - 3.0=82, 3.1/1912=10...(15) QD2 LEU 30 + HA LEU 87 OK 34 86 - 40 - 1912=11, 1915/3.0=3...(13) QD1 LEU 87 + HA LEU 87 OK 31 57 - 54 - 4.1=32, 2.1/3655=5...(19) QD2 LEU 30 + HA ASP 53 OK 29 86 - 34 - 1912=10, 5133/2.9=6...(13) QD2 LEU 87 - HA LEU 87 OK 28 55 - 52 - 4.1=32, 4.8/415=3...(17) QD1 LEU 85 - HA LEU 87 OK 24 63 - 38 - 2.1/3655=4, 3.1/3627=2...(22) QD2 LEU 87 - HA LEU 30 OK 16 71 - 23 - 3655=2, 1889/3.0=2...(10) HD2 LYS 26 - HA LEU 30 OK 16 85 - 19 - 1725/3.0=3, 1722/4.0=2...(7) HB3 LEU 30 - HA LEU 87 OK 16 46 - 35 - 3.1/1912=5, 1.8/1884=4...(13) QD1 LEU 87 - HA LEU 30 OK 15 73 - 21 - 2.1/3655=2, 1889/3.0=2...(7) HB3 LEU 30 - HA ASP 53 OK 13 45 - 29 - 3.1/1912=4, 1.8/1884=3...(11) QD2 LEU 73 - HA LEU 30 poor 9 60 - 16 - ~1888=1, 2.1/1881=1...(8) HD3 LYS 26 - HA LEU 30 poor 9 60 - 15 - 1732/4.0=1, ~1725=1...(4) QB ALA 75 - HA LEU 30 lone 8 100 - 8 - 6109/4580=2, 638/2.9=1 QD1 LEU 85 - HA LEU 30 lone 7 81 - 9 - HD2 LYS 26 - HA LEU 87 lone 7 67 - 10 - 1725/4.1=1 QB ALA 75 - HA ASP 53 lone 6 86 - 7 - 5133/2.9=2, 6109/4580=1 QD1 LEU 76 - HA LEU 30 lone 5 96 - 5 - HD3 LYS 26 - HA LEU 87 lone 4 46 - 9 - QD2 LEU 73 - HA LEU 87 lone 4 46 - 9 - QB ALA 75 - HA LEU 87 lone 4 86 - 4 - ~5746=1 QD2 LEU 87 - HA ASP 53 lone 3 54 - 6 - 5133/2.9=2 QD1 LEU 87 - HA ASP 53 lone 3 56 - 5 - QD1 LEU 76 - HA LEU 87 lone 3 79 - 4 - 4080/3.6=1 HD2 LYS 26 - HA ASP 53 lone 3 67 - 4 - 5133/2.9=1 QD1 LEU 85 - HA ASP 53 lone 2 63 - 3 - QD1 LEU 76 - HA ASP 53 lone 1 78 - 2 - HD3 LYS 26 - HA ASP 53 lone 1 45 - 3 - QD2 LEU 73 - HA ASP 53 lone 1 45 - 3 - QG2 VAL 47 - HA LEU 87 lone 1 48 - 1 - QG2 VAL 47 - HA LEU 30 lone 0 63 - 1 - QG2 VAL 47 - HA ASP 53 lone 0 48 - 1 - Peak 1883 from cnoeabs.peaks (8.11, 1.69, 41.58 ppm; 4.06 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 30 + HB2 LEU 30 OK 100 100 - 100 - 4.0=100 H ALA 71 - HB2 LEU 30 OK 39 89 - 44 - 1890/1.8=7, 1897/3.0=7...(13) H ALA 89 - HB2 LEU 30 OK 37 100 - 37 - 1897/3.0=7, 1890/1.8=7...(13) H MET 11 - HB2 LEU 30 OK 23 98 - 24 - 1897/3.0=4, 1890/1.8=4...(7) Peak 1884 from cnoeabs.peaks (4.22, 1.69, 41.58 ppm; 4.21 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 30 + HB2 LEU 30 OK 100 100 - 100 - 3.0=100 HA LEU 87 + HB2 LEU 30 OK 62 87 - 71 - 1891/1.8=10, 1912/3.1=9...(33) HA ASP 53 + HB2 LEU 30 OK 59 96 - 62 - 1891/1.8=9, 1912/3.1=9...(23) HA ALA 89 - HB2 LEU 30 OK 23 65 - 35 - 3.0/1883=6, ~1890=4...(14) HA3 GLY 40 - HB2 LEU 30 lone 6 87 - 6 - Peak 1885 from cnoeabs.peaks (1.69, 1.69, 41.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 30 + HB2 LEU 30 OK 100 100 - 100 Peak 1886 from cnoeabs.peaks (0.90, 1.69, 41.58 ppm; 3.09 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 30 + HB2 LEU 30 OK 100 100 - 100 - 1.8=100 QD2 LEU 30 + HB2 LEU 30 OK 60 60 - 99 - 3.1=99 QD1 LEU 87 - HB2 LEU 30 OK 39 100 - 40 - 3.1/1887=3, 1900/3.0=3...(17) HD3 LYS 26 - HB2 LEU 30 OK 38 100 - 38 - 1732/3.1=4, 1734/3.1=3...(17) QD2 LEU 23 - HB2 LEU 30 OK 38 92 - 41 - 4480/4581=6, 2.1/1888=4...(18) QD1 LEU 85 - HB2 LEU 30 OK 18 99 - 18 - 1907/3.1=2, 1900/3.0=2 QD1 LEU 76 - HB2 LEU 30 poor 10 89 - 11 - ~3255=1, ~3241=1, 1907/3.1=1 QB ALA 75 - HB2 LEU 30 lone 5 60 - 8 - 6109/4581=3 Peak 1887 from cnoeabs.peaks (1.54, 1.69, 41.58 ppm; 3.86 A): 3 out of 10 assignments used, quality = 1.00: * HG LEU 30 + HB2 LEU 30 OK 100 100 - 100 - 3.0=100 HB3 LEU 87 + HB2 LEU 30 OK 66 99 - 67 - 3.0/1884=6, 1894/1.8=6...(37) HG3 ARG 27 + HB2 LEU 30 OK 55 78 - 71 - 1793=6, 6076/1.8=6...(34) HB3 LYS 26 - HB2 LEU 30 OK 42 78 - 54 - 2.9/1888=5, 1695/1.8=5...(27) QB ALA 71 - HB2 LEU 30 OK 35 83 - 42 - 5663/4581=5, 2.9/1883=5...(16) HB2 LEU 85 - HB2 LEU 30 OK 19 65 - 29 - 3.1/1886=2, 1894/1.8=2...(8) HD2 LYS 56 - HB2 LEU 30 OK 11 99 - 11 - 1894/1.8=1, 3.0/5215=1 HB3 LYS 44 - HB2 LEU 30 lone 8 100 - 8 - 129/4.6=2 HG LEU 34 - HB2 LEU 30 lone 5 71 - 7 - ~4676=1 HD3 LYS 64 - HB2 LEU 30 lone 5 90 - 5 - Peak 1888 from cnoeabs.peaks (0.77, 1.69, 41.58 ppm; 3.64 A): 3 out of 7 assignments used, quality = 1.00: * QD1 LEU 30 + HB2 LEU 30 OK 100 100 - 100 - 3.1=100 QD1 LEU 73 + HB2 LEU 30 OK 54 99 - 54 - 1895/1.8=6, 1902/3.0=5...(24) QD1 LEU 23 + HB2 LEU 30 OK 45 87 - 52 - 1618/1.8=7, 4481/4581=6...(20) HG2 LYS 26 - HB2 LEU 30 OK 44 78 - 57 - 1895/1.8=6, 1916/3.1=5...(36) QD2 LEU 79 - HB2 LEU 30 OK 24 92 - 26 - 1895/1.8=3, 1916/3.1=2...(9) QG1 VAL 20 - HB2 LEU 30 OK 10 73 - 14 - 4408/4589=5, ~4388=2, 1895/1.8=2 QD1 LEU 12 - HB2 LEU 30 lone 4 73 - 5 - Peak 1889 from cnoeabs.peaks (0.87, 1.69, 41.58 ppm; 3.39 A): 2 out of 11 assignments used, quality = 1.00: * QD2 LEU 30 + HB2 LEU 30 OK 100 100 - 100 - 3.1=100 HB3 LEU 30 + HB2 LEU 30 OK 60 60 - 100 - 1.8=100 HD2 LYS 26 - HB2 LEU 30 OK 38 85 - 45 - 1725/1.8=5, 1722/3.1=4...(23) QD2 LEU 87 - HB2 LEU 30 OK 32 71 - 46 - 3.1/1887=4, 4.1/1884=4...(24) QD1 LEU 87 - HB2 LEU 30 OK 32 73 - 43 - 3.1/1887=4, 4.1/1884=4...(23) QD2 LEU 73 - HB2 LEU 30 OK 26 60 - 44 - 2.1/1888=6, ~1895=3...(16) HD3 LYS 26 - HB2 LEU 30 OK 23 60 - 39 - 3.0/1888=4, ~1725=4...(17) QD1 LEU 85 - HB2 LEU 30 OK 16 81 - 20 - 3.1/1887=1, 1903/3.0=1...(4) QB ALA 75 - HB2 LEU 30 OK 16 100 - 16 - 6109/4581=6, 1910/3.1=1...(5) QD1 LEU 76 - HB2 LEU 30 OK 12 96 - 12 - ~3255=1, ~3241=1...(4) QG2 VAL 47 - HB2 LEU 30 lone 1 63 - 1 - Peak 1890 from cnoeabs.peaks (8.11, 0.90, 41.58 ppm; 4.46 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 30 + HB3 LEU 30 OK 100 100 - 100 - 4.0=100 H ALA 71 + HB3 LEU 30 OK 47 89 - 54 - 1883/1.8=8, 1897/3.0=8...(16) H ALA 89 - HB3 LEU 30 OK 44 100 - 44 - 1883/1.8=8, 1897/3.0=8...(14) H MET 11 - HB3 LEU 30 OK 27 98 - 28 - 1883/1.8=5, 1897/3.0=5...(8) Peak 1891 from cnoeabs.peaks (4.22, 0.90, 41.58 ppm; 4.03 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 30 + HB3 LEU 30 OK 100 100 - 100 - 3.0=100 HA LEU 87 + HB3 LEU 30 OK 58 87 - 67 - 1912/3.1=9, 1884/1.8=9...(32) HA ASP 53 + HB3 LEU 30 OK 55 96 - 58 - 1884/1.8=8, 1912/3.1=8...(22) HA ALA 89 - HB3 LEU 30 OK 21 65 - 32 - 3.0/1890=5, ~1883=4...(13) HA3 GLY 40 - HB3 LEU 30 lone 5 87 - 6 - Peak 1892 from cnoeabs.peaks (1.69, 0.90, 41.58 ppm; 3.25 A): 3 out of 11 assignments used, quality = 1.00: * HB2 LEU 30 + HB3 LEU 30 OK 100 100 - 100 - 1.8=100 HB3 ARG 27 + HB3 LEU 30 OK 60 99 - 61 - 4544/3.1=7, 4545=7...(31) HB3 LYS 31 + HB3 LEU 30 OK 51 98 - 52 - 3.9/3893=10, 4600/3.0=9...(20) HB3 LEU 73 - HB3 LEU 30 OK 34 83 - 41 - 3.1/1895=4, 3180/3.1=4...(19) HG2 LYS 78 - HB3 LEU 30 OK 29 97 - 30 - 5814/3.1=4, ~3331=3...(14) HD3 LYS 31 - HB3 LEU 30 OK 23 87 - 26 - 5.8/3893=5, 3.6/4603=4...(9) HB3 GLU 51 - HB3 LEU 30 OK 22 99 - 22 - 5068/4582=4, 3.9/5050=3...(9) HD2 LYS 31 - HB3 LEU 30 OK 21 83 - 26 - 5.8/3893=5, 3.6/4603=4...(9) HG3 ARG 28 - HB3 LEU 30 lone 5 60 - 8 - 4.6/4557=2, 4.9/4576=2 HB3 LYS 91 - HB3 LEU 30 lone 4 100 - 4 - HB3 LYS 17 - HB3 LEU 30 lone 4 60 - 6 - Peak 1893 from cnoeabs.peaks (0.90, 0.90, 41.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 30 + HB3 LEU 30 OK 100 100 - 100 Peak 1894 from cnoeabs.peaks (1.54, 0.90, 41.58 ppm; 4.18 A): 5 out of 10 assignments used, quality = 1.00: * HG LEU 30 + HB3 LEU 30 OK 100 100 - 100 - 3.0=100 HB3 LEU 87 + HB3 LEU 30 OK 75 99 - 76 - 1887/1.8=8, 3.0/1891=8...(43) HG3 ARG 27 + HB3 LEU 30 OK 60 78 - 76 - 2.9/4545=8, 2.9/4546=8...(34) HB3 LYS 26 + HB3 LEU 30 OK 54 78 - 69 - 1.8/1685=7, 1695=7...(34) QB ALA 71 + HB3 LEU 30 OK 48 83 - 58 - 5660=7, 5663/4582=7...(20) HB2 LEU 85 - HB3 LEU 30 OK 25 65 - 38 - 1887/1.8=2, 1.8/3631=2...(14) HD2 LYS 56 - HB3 LEU 30 OK 14 99 - 14 - 1887/1.8=1, 129/4.6=1...(4) HB3 LYS 44 - HB3 LEU 30 OK 10 100 - 10 - 129/4.6=2, 1887/1.8=1 HD3 LYS 64 - HB3 LEU 30 lone 7 90 - 7 - HG LEU 34 - HB3 LEU 30 lone 7 71 - 9 - ~4676=1 Peak 1895 from cnoeabs.peaks (0.77, 0.90, 41.58 ppm; 3.73 A): 4 out of 7 assignments used, quality = 1.00: * QD1 LEU 30 + HB3 LEU 30 OK 100 100 - 100 - 3.1=100 QD1 LEU 73 + HB3 LEU 30 OK 54 99 - 55 - 1888/1.8=7, 1902/3.0=6...(25) QD1 LEU 23 + HB3 LEU 30 OK 52 87 - 60 - 4481/4582=7, 1618=6...(24) HG2 LYS 26 + HB3 LEU 30 OK 52 78 - 66 - 1888/1.8=6, 1.8/1715=5...(40) QD2 LEU 79 - HB3 LEU 30 OK 25 92 - 27 - 1888/1.8=3, ~6078=2...(9) QG1 VAL 20 - HB3 LEU 30 OK 13 73 - 17 - 4408/4590=5, 3.2/4388=3 QD1 LEU 12 - HB3 LEU 30 lone 4 73 - 6 - Peak 1896 from cnoeabs.peaks (0.87, 0.90, 41.58 ppm; diagonal): 1 out of 1 assignment used, quality = 0.60: HB3 LEU 30 + HB3 LEU 30 OK 60 60 - 100 Reference assignment not found: QD2 LEU 30 - HB3 LEU 30 Peak 1897 from cnoeabs.peaks (8.11, 1.54, 26.06 ppm; 3.54 A): 4 out of 4 assignments used, quality = 0.90: * H LEU 30 + HG LEU 30 OK 75 100 - 75 - 5.1=34, 1911/2.1=15...(15) H ALA 71 + HG LEU 30 OK 30 89 - 34 - 1904/2.1=6, 1911/2.1=6...(14) H ALA 89 + HG LEU 30 OK 29 100 - 29 - 1911/2.1=6, 1904/2.1=5...(11) H MET 11 + HG LEU 30 OK 18 98 - 18 - 1911/2.1=4, 1904/2.1=4...(6) Peak 1898 from cnoeabs.peaks (4.22, 1.54, 26.06 ppm; 4.42 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 30 + HG LEU 30 OK 100 100 - 100 - 3.7=100 HA LEU 87 + HG LEU 30 OK 62 87 - 72 - 1912/2.1=11, 1905/2.1=10...(29) HA ASP 53 + HG LEU 30 OK 55 96 - 58 - 1912/2.1=10, ~5133=9...(15) HA ALA 89 - HG LEU 30 OK 23 65 - 35 - 3.0/1897=7, ~1911=4...(11) HA3 GLY 40 - HG LEU 30 lone 5 87 - 6 - Peak 1899 from cnoeabs.peaks (1.69, 1.54, 26.06 ppm; 3.41 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 30 + HG LEU 30 OK 100 100 - 100 - 3.0=100 HB3 ARG 27 + HG LEU 30 OK 61 99 - 62 - 4544/2.1=10, 4545/2.1=8...(33) HB3 LYS 31 - HG LEU 30 OK 41 98 - 42 - 4600/3.7=8, 3.9/3894=6...(15) HB3 LEU 73 - HG LEU 30 OK 38 83 - 46 - 3180/2.1=5, 3.1/1902=5...(19) HG2 LYS 78 - HG LEU 30 OK 32 97 - 33 - 5814/2.1=5, ~5815=4...(15) HB3 GLU 51 - HG LEU 30 OK 20 99 - 21 - 5068/4583=4, 1906/2.1=2...(11) HD3 LYS 31 - HG LEU 30 OK 17 87 - 20 - 5.8/3894=4, 1913/2.1=2...(7) HD2 LYS 31 - HG LEU 30 OK 16 83 - 20 - 5.8/3894=4, 1913/2.1=2...(8) HG3 ARG 28 - HG LEU 30 lone 4 60 - 7 - 4.9/4575=2 HB3 LYS 91 - HG LEU 30 lone 4 100 - 4 - HB3 LYS 17 - HG LEU 30 lone 3 60 - 5 - Peak 1900 from cnoeabs.peaks (0.90, 1.54, 26.06 ppm; 3.24 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 30 + HG LEU 30 OK 100 100 - 100 - 3.0=100 QD2 LEU 30 + HG LEU 30 OK 60 60 - 100 - 2.1=100 QD1 LEU 87 - HG LEU 30 OK 44 100 - 44 - 1907/2.1=5, 3650=4...(19) HD3 LYS 26 - HG LEU 30 OK 42 100 - 43 - 1732/2.1=5, 1734/2.1=5...(22) QD2 LEU 23 - HG LEU 30 OK 37 92 - 40 - 4480/4583=5, 1612/2.1=5...(17) QD1 LEU 85 - HG LEU 30 OK 21 99 - 21 - 1907/2.1=2, 3650=2...(5) QD1 LEU 76 - HG LEU 30 OK 11 89 - 12 - 1907/2.1=1, ~3255=1...(5) QB ALA 75 - HG LEU 30 lone 6 60 - 9 - 6109/4583=3, 4.5/5717=1 Peak 1901 from cnoeabs.peaks (1.54, 1.54, 26.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 30 + HG LEU 30 OK 100 100 - 100 Peak 1902 from cnoeabs.peaks (0.77, 1.54, 26.06 ppm; 3.51 A): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 30 + HG LEU 30 OK 100 100 - 100 - 2.1=100 QD1 LEU 73 + HG LEU 30 OK 48 99 - 49 - 1916/2.1=6, 1888/3.0=5...(22) HG2 LYS 26 - HG LEU 30 OK 42 78 - 54 - 1916/2.1=6, 1895/3.0=4...(33) QD1 LEU 23 - HG LEU 30 OK 41 87 - 47 - 1916/2.1=5, 1618/3.0=5...(19) QD2 LEU 79 - HG LEU 30 OK 20 92 - 21 - 1916/2.1=3, ~6078=3...(10) QG1 VAL 20 - HG LEU 30 lone 6 73 - 8 - 1895/3.0=1, ~4388=1 QD1 LEU 12 - HG LEU 30 lone 3 73 - 4 - Peak 1903 from cnoeabs.peaks (0.87, 1.54, 26.06 ppm; 3.32 A): 2 out of 11 assignments used, quality = 1.00: * QD2 LEU 30 + HG LEU 30 OK 100 100 - 100 - 2.1=100 HB3 LEU 30 + HG LEU 30 OK 60 60 - 100 - 3.0=100 HD2 LYS 26 - HG LEU 30 OK 39 85 - 46 - 1722/2.1=5, 3.0/1902=4...(22) QD2 LEU 87 - HG LEU 30 OK 32 71 - 45 - 4.1/1898=3, 3657=3...(22) QD1 LEU 87 - HG LEU 30 OK 31 73 - 42 - 4.1/1898=3, 3650=3...(19) QD2 LEU 73 - HG LEU 30 OK 25 60 - 41 - 2.1/1902=6, 3201/2.1=4...(19) HD3 LYS 26 - HG LEU 30 OK 23 60 - 39 - 3.0/1902=4, ~1722=3...(20) QD1 LEU 85 - HG LEU 30 OK 15 81 - 19 - 3650=2, ~6079=2...(6) QB ALA 75 - HG LEU 30 OK 15 100 - 15 - 6109/4583=5, 1910/2.1=2...(4) QD1 LEU 76 - HG LEU 30 OK 12 96 - 12 - 1910/2.1=1, ~3255=1...(5) QG2 VAL 47 - HG LEU 30 lone 1 63 - 2 - Peak 1904 from cnoeabs.peaks (8.11, 0.77, 26.77 ppm; 4.17 A): 2 out of 4 assignments used, quality = 0.96: * H LEU 30 + QD1 LEU 30 OK 92 100 - 92 - 4.8=67, 1897/2.1=21...(16) H ALA 71 + QD1 LEU 30 OK 47 89 - 53 - 1897/2.1=8, 1911/2.1=8...(19) H ALA 89 - QD1 LEU 30 OK 39 100 - 39 - 1897/2.1=8, 1911/2.1=8...(12) H MET 11 - QD1 LEU 30 OK 28 98 - 28 - 1897/2.1=5, 1911/2.1=5...(9) Peak 1905 from cnoeabs.peaks (4.22, 0.77, 26.77 ppm; 4.32 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 30 + QD1 LEU 30 OK 100 100 - 100 - 4.0=100 HA LEU 87 + QD1 LEU 30 OK 65 87 - 75 - 1912/2.1=11, 1898/2.1=9...(29) HA ASP 53 + QD1 LEU 30 OK 58 96 - 61 - 1912/2.1=10, ~5133=9...(15) HA ALA 89 - QD1 LEU 30 OK 23 65 - 35 - 3.0/1904=6, ~1897=4...(12) HA3 GLY 40 - QD1 LEU 30 lone 6 87 - 6 - Peak 1906 from cnoeabs.peaks (1.69, 0.77, 26.77 ppm; 3.23 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 30 + QD1 LEU 30 OK 100 100 - 100 - 3.1=100 HB3 ARG 27 + QD1 LEU 30 OK 64 99 - 64 - 4544=11, 1.8/4543=9...(31) HB3 LYS 31 - QD1 LEU 30 OK 42 98 - 43 - 4600/4.0=7, 1938/5.0=7...(14) HB3 LEU 73 - QD1 LEU 30 OK 40 83 - 49 - 3180=6, 1.8/3173=6...(17) HG2 LYS 78 - QD1 LEU 30 OK 40 97 - 41 - 1.8/5815=6, 5814=5...(16) HD3 LYS 31 - QD1 LEU 30 OK 19 87 - 22 - 5.8/130=4, 3.6/4584=3...(7) HB3 GLU 51 - QD1 LEU 30 OK 19 99 - 19 - 5068/4585=4, 1899/2.1=2...(5) HD2 LYS 31 - QD1 LEU 30 OK 18 83 - 22 - 5.8/130=4, 3.6/4584=3...(7) HB3 LYS 91 - QD1 LEU 30 lone 5 100 - 5 - HG3 ARG 28 - QD1 LEU 30 lone 5 60 - 9 - 4.6/4558=3 HB3 LYS 17 - QD1 LEU 30 lone 4 60 - 6 - Peak 1907 from cnoeabs.peaks (0.90, 0.77, 26.77 ppm; 2.72 A): 3 out of 8 assignments used, quality = 0.95: * HB3 LEU 30 + QD1 LEU 30 OK 78 100 - 78 - 3.1=68, 4582/4585=6...(10) QD2 LEU 30 + QD1 LEU 30 OK 60 60 - 100 - 2.1=100 HD3 LYS 26 + QD1 LEU 30 OK 37 100 - 37 - 1732=4, 1734/2.1=4...(13) QD2 LEU 23 - QD1 LEU 30 OK 34 92 - 37 - 4480/4585=5, 1612=5...(14) QD1 LEU 87 - QD1 LEU 30 OK 33 100 - 34 - 2.1/6079=4, 3.1/6079=3...(10) QD1 LEU 85 - QD1 LEU 30 OK 16 99 - 16 - 2.1/6079=2, 1900/2.1=1...(4) QD1 LEU 76 - QD1 LEU 30 OK 11 89 - 12 - 3.1/6172=1, 4.0/6032=1 QB ALA 75 - QD1 LEU 30 lone 5 60 - 9 - 6109/4585=2 Peak 1908 from cnoeabs.peaks (1.54, 0.77, 26.77 ppm; 3.28 A): 3 out of 10 assignments used, quality = 1.00: * HG LEU 30 + QD1 LEU 30 OK 100 100 - 100 - 2.1=100 HB3 LEU 87 + QD1 LEU 30 OK 55 99 - 56 - 1.8/6079=7, 1915/2.1=6...(27) HG3 ARG 27 + QD1 LEU 30 OK 46 78 - 59 - 2.9/4544=8, 2.9/4543=7...(30) HB3 LYS 26 - QD1 LEU 30 OK 38 78 - 49 - 1915/2.1=4, 1.8/1682=4...(25) QB ALA 71 - QD1 LEU 30 OK 29 83 - 35 - 5638/4593=4, 2.9/1904=4...(13) HB2 LEU 85 - QD1 LEU 30 OK 15 65 - 23 - 1.8/6079=2, 3.0/6079=2...(7) HD2 LYS 56 - QD1 LEU 30 lone 8 99 - 8 - HB3 LYS 44 - QD1 LEU 30 lone 6 100 - 6 - 129/5.0=1 HG LEU 34 - QD1 LEU 30 lone 4 71 - 6 - ~4676=1 HD3 LYS 64 - QD1 LEU 30 lone 4 90 - 4 - Peak 1909 from cnoeabs.peaks (0.77, 0.77, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 30 + QD1 LEU 30 OK 100 100 - 100 Peak 1910 from cnoeabs.peaks (0.87, 0.77, 26.77 ppm; 2.78 A): 2 out of 11 assignments used, quality = 1.00: * QD2 LEU 30 + QD1 LEU 30 OK 100 100 - 100 - 2.1=100 HB3 LEU 30 + QD1 LEU 30 OK 48 60 - 80 - 3.1=72, 4.0/637=4...(11) HD2 LYS 26 - QD1 LEU 30 OK 32 85 - 38 - 1722=4, 1.8/1732=3...(16) QD2 LEU 87 - QD1 LEU 30 OK 24 71 - 34 - 2.1/6079=4, 3.1/6079=3...(13) QD1 LEU 87 - QD1 LEU 30 OK 23 73 - 32 - 2.1/6079=4, 3.1/6079=3...(11) QD2 LEU 73 - QD1 LEU 30 OK 21 60 - 36 - 3201=4, 2.1/6079=4...(13) HD3 LYS 26 - QD1 LEU 30 OK 19 60 - 32 - 1.8/1722=4, 1732=2...(15) QB ALA 75 - QD1 LEU 30 OK 14 100 - 14 - 6109/4585=4 QD1 LEU 85 - QD1 LEU 30 OK 12 81 - 14 - 2.1/6079=2, 3.1/6079=1...(4) QD1 LEU 76 - QD1 LEU 30 OK 11 96 - 11 - 3.1/6172=1, 4.0/6032=1 QG2 VAL 47 - QD1 LEU 30 lone 1 63 - 1 - Peak 1911 from cnoeabs.peaks (8.11, 0.87, 22.29 ppm; 3.78 A): 3 out of 4 assignments used, quality = 0.94: * H LEU 30 + QD2 LEU 30 OK 87 100 - 87 - 4.8=50, 1897/2.1=18...(17) H ALA 71 + QD2 LEU 30 OK 34 89 - 39 - 1897/2.1=7, 1904/2.1=7...(13) H ALA 89 + QD2 LEU 30 OK 34 100 - 34 - 1897/2.1=7, 1904/2.1=6...(12) H MET 11 - QD2 LEU 30 OK 22 98 - 22 - 1897/2.1=5, 1904/2.1=4...(7) Peak 1912 from cnoeabs.peaks (4.22, 0.87, 22.29 ppm; 2.80 A): 3 out of 5 assignments used, quality = 0.82: * HA LEU 30 + QD2 LEU 30 OK 64 100 - 64 - 4.0=34, 3.6/3896=10...(17) HA LEU 87 + QD2 LEU 30 OK 31 87 - 35 - 1882=4, 3.0/1915=4...(14) HA ASP 53 + QD2 LEU 30 OK 28 96 - 29 - 2.9/5133=6, 1882=3...(13) HA ALA 89 - QD2 LEU 30 poor 10 65 - 15 - 3.0/1911=3, ~1897=1...(8) HA3 GLY 40 - QD2 LEU 30 lone 2 87 - 2 - Peak 1913 from cnoeabs.peaks (1.69, 0.87, 22.29 ppm; 3.10 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 30 + QD2 LEU 30 OK 100 100 - 100 - 3.1=100 HB3 ARG 27 + QD2 LEU 30 OK 63 99 - 63 - 4.8/4595=8, 4544/2.1=8...(28) HB3 LYS 31 - QD2 LEU 30 OK 43 98 - 44 - 3.9/3896=12, 4600/4.0=6...(14) HB3 LEU 73 - QD2 LEU 30 OK 33 83 - 40 - 3180/2.1=4, 3.1/1916=4...(16) HG2 LYS 78 - QD2 LEU 30 OK 27 97 - 28 - 5814/2.1=4, ~5815=3...(12) HD3 LYS 31 - QD2 LEU 30 OK 20 87 - 23 - 5.8/3896=6, 3.6/4603=3...(6) HD2 LYS 31 - QD2 LEU 30 OK 19 83 - 23 - 5.8/3896=6, 3.6/4603=3...(6) HB3 GLU 51 - QD2 LEU 30 OK 16 99 - 16 - 5068/4586=3, 1899/2.1=2...(4) HG3 ARG 28 - QD2 LEU 30 lone 5 60 - 8 - 4.6/4557=2, 4.9/4576=2 HB3 LYS 91 - QD2 LEU 30 lone 4 100 - 4 - HB3 LYS 17 - QD2 LEU 30 lone 3 60 - 5 - Peak 1914 from cnoeabs.peaks (0.90, 0.87, 22.29 ppm; diagonal): 1 out of 1 assignment used, quality = 0.60: QD2 LEU 30 + QD2 LEU 30 OK 60 60 - 100 Reference assignment not found: HB3 LEU 30 - QD2 LEU 30 Peak 1915 from cnoeabs.peaks (1.54, 0.87, 22.29 ppm; 2.99 A): 2 out of 10 assignments used, quality = 1.00: * HG LEU 30 + QD2 LEU 30 OK 100 100 - 100 - 2.1=100 HB3 LEU 87 + QD2 LEU 30 OK 47 99 - 48 - 3.0/1912=6, 1908/2.1=5...(19) HG3 ARG 27 - QD2 LEU 30 OK 43 78 - 54 - 3.9/4595=9, 2.9/4545=5...(27) HB3 LYS 26 - QD2 LEU 30 OK 31 78 - 39 - 2.9/1916=4, 1908/2.1=3...(19) QB ALA 71 - QD2 LEU 30 OK 21 83 - 25 - 5663/4586=3, 2.9/1911=3...(11) HB2 LEU 85 - QD2 LEU 30 OK 12 65 - 18 - 1908/2.1=1, ~6079=1 HD2 LYS 56 - QD2 LEU 30 lone 7 99 - 7 - HB3 LYS 44 - QD2 LEU 30 lone 5 100 - 5 - HG LEU 34 - QD2 LEU 30 lone 4 71 - 5 - 2.1/4676=2 HD3 LYS 64 - QD2 LEU 30 lone 3 90 - 4 - Peak 1916 from cnoeabs.peaks (0.77, 0.87, 22.29 ppm; 2.59 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 30 + QD2 LEU 30 OK 100 100 - 100 - 2.1=100 QD1 LEU 73 - QD2 LEU 30 OK 29 99 - 29 - 1902/2.1=3, 1888/3.1=2...(10) HG2 LYS 26 - QD2 LEU 30 OK 27 78 - 35 - 1902/2.1=3, 1704=2...(14) QD1 LEU 23 - QD2 LEU 30 OK 24 87 - 28 - 4481/4586=3, 1902/2.1=3...(11) QD2 LEU 79 - QD2 LEU 30 OK 12 92 - 13 - 1902/2.1=1, ~6078=1...(4) QG1 VAL 20 - QD2 LEU 30 lone 3 73 - 5 - QD1 LEU 12 - QD2 LEU 30 lone 2 73 - 3 - Peak 1917 from cnoeabs.peaks (0.87, 0.87, 22.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 30 + QD2 LEU 30 OK 100 100 - 100 Peak 1918 from cnoeabs.peaks (8.49, 4.60, 54.66 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 31 + HA LYS 31 OK 100 100 - 100 - 3.0=100 H THR 38 + HA LYS 31 OK 49 93 - 53 - 686=11, 1928/3.0=10...(15) H LYS 31 - HA ASN 24 lone 4 57 - 7 - 640=1 H THR 38 - HA ASN 24 lone 2 48 - 5 - 686=1 Peak 1919 from cnoeabs.peaks (4.60, 4.60, 54.66 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA LYS 31 + HA LYS 31 OK 100 100 - 100 HA ASN 24 - HA ASN 24 OK 26 26 - 100 Peak 1920 from cnoeabs.peaks (1.79, 4.60, 54.66 ppm; 3.31 A): 2 out of 34 assignments used, quality = 1.00: * HB2 LYS 31 + HA LYS 31 OK 100 100 - 100 - 3.0=100 HB2 ARG 27 + HA LYS 31 OK 59 97 - 61 - 1769/3.0=5, 1.8/1921=5...(39) HB2 LYS 91 - HA LYS 31 OK 19 99 - 19 - 3710/3.0=3, 1960/3.7=1...(7) HD3 LYS 78 - HA LYS 31 OK 18 100 - 18 - 3351/3.0=3, ~3341=2...(6) HG3 GLU 37 - HA LYS 31 OK 15 100 - 15 - 3935/3.0=3, ~3934=2...(4) HB2 ARG 28 - HA LYS 31 OK 12 100 - 12 - 4.0/107=2 HG2 GLU 51 - HA LYS 31 OK 12 81 - 15 - 641/3.0=1, 1960/3.7=1 HG3 GLU 51 - HA LYS 31 OK 12 78 - 15 - 641/3.0=1 HB2 GLU 37 - HA LYS 31 OK 11 60 - 18 - 4.4/1918=5, ~3933=2...(6) HB2 LYS 44 - HA LYS 31 poor 10 63 - 16 - 3.7/1923=3, 3.7/1922=3...(6) HB3 ARG 28 - HA LYS 31 poor 10 83 - 12 - 4.0/107=2 HB2 MET 48 - HA LYS 31 lone 10 99 - 10 - 134/3.6=3, 4907/4598=2 QB ALA 74 - HA ASN 24 poor 9 51 - 18 - 4073/3.6=5, ~1033=3...(6) HB3 GLU 33 - HA LYS 31 poor 8 63 - 14 - 134/3.6=2, ~4661=2, ~4666=2 HG LEU 76 - HA ASN 24 poor 7 39 - 17 - ~5785=8, 3237/4.8=3...(5) HB2 ARG 27 - HA ASN 24 lone 5 51 - 10 - 4.0/614=2, 1767=1, 1.8/1775=1 QB ALA 74 - HA LYS 31 lone 5 97 - 5 - HG LEU 76 - HA LYS 31 lone 5 81 - 6 - HB2 LYS 31 - HA ASN 24 lone 4 57 - 7 - HB2 LYS 65 - HA LYS 31 lone 4 100 - 3 - HB2 LYS 91 - HA ASN 24 lone 3 55 - 5 - 3707/2.9=1, ~3717=1 HB2 LYS 65 - HA ASN 24 lone 3 57 - 5 - QE MET 11 - HA LYS 31 lone 3 87 - 3 - HB3 GLU 33 - HA ASN 24 lone 1 29 - 4 - HB2 ARG 28 - HA ASN 24 lone 1 57 - 2 - HB2 MET 48 - HA ASN 24 lone 1 55 - 2 - HG3 GLU 37 - HA ASN 24 lone 1 57 - 2 - HB3 ARG 28 - HA ASN 24 lone 1 41 - 2 - HD3 LYS 78 - HA ASN 24 lone 1 56 - 1 - HG2 GLU 51 - HA ASN 24 lone 1 39 - 1 - HB2 LYS 44 - HA ASN 24 lone 1 29 - 2 - HG3 GLU 51 - HA ASN 24 lone 1 38 - 1 - HB2 GLU 37 - HA ASN 24 lone 0 27 - 1 - QE MET 11 - HA ASN 24 lone 0 43 - 1 - Peak 1921 from cnoeabs.peaks (1.70, 4.60, 54.66 ppm; 3.40 A): 4 out of 22 assignments used, quality = 1.00: * HB3 LYS 31 + HA LYS 31 OK 100 100 - 100 - 3.0=100 HB2 LEU 30 + HA LYS 31 OK 62 98 - 64 - 3892/3.0=12, ~3893=9...(25) HB3 ARG 27 + HA LYS 31 OK 59 100 - 59 - 1.8/1920=6, 2.9/1922=5...(33) HD3 LYS 31 + HA LYS 31 OK 46 65 - 71 - 4.9=33, 1.8/1969=5...(26) HD2 LYS 31 - HA LYS 31 OK 43 60 - 71 - 4.9=33, 1.8/1969=5...(26) HG2 LYS 78 - HA LYS 31 OK 18 100 - 18 - 3324/3.0=2, ~3331=1...(8) HB3 LYS 91 - HA LYS 31 OK 15 95 - 15 - 3719/3.0=2, 1.8/1920=2...(5) HB3 GLU 51 - HA LYS 31 OK 14 89 - 16 - 127/3.0=2, 5066/3.7=2...(4) HB3 LYS 17 - HA LYS 31 OK 12 83 - 13 - 1939=2, 3899/3.6=2...(4) HB2 LYS 17 - HA LYS 31 OK 11 81 - 14 - 1939=2, 3899/3.6=2...(4) HB3 ARG 27 - HA ASN 24 poor 6 57 - 11 - 4.0/614=2, 1775=1, 1.8/1767=1 HB2 LEU 30 - HA ASN 24 lone 5 53 - 9 - ~82=2, ~83=1, ~4489=1 HB3 LYS 31 - HA ASN 24 lone 4 57 - 7 - 4.1/3897=1 HB3 LYS 91 - HA ASN 24 lone 4 49 - 8 - 3717/2.9=2, ~3707=1 HB3 LEU 73 - HA ASN 24 poor 3 27 - 12 - 3176/4.8=2, ~3852=2...(6) HB3 LEU 73 - HA LYS 31 lone 3 60 - 5 - ~130=1 HB3 LYS 17 - HA ASN 24 lone 2 41 - 5 - HB2 LYS 17 - HA ASN 24 lone 2 39 - 5 - HD3 LYS 31 - HA ASN 24 lone 1 30 - 5 - HG2 LYS 78 - HA ASN 24 lone 1 57 - 2 - HD2 LYS 31 - HA ASN 24 lone 1 27 - 5 - HB3 GLU 51 - HA ASN 24 lone 1 45 - 2 - Peak 1922 from cnoeabs.peaks (1.41, 4.60, 54.66 ppm; 4.26 A): 3 out of 12 assignments used, quality = 1.00: * HG2 LYS 31 + HA LYS 31 OK 100 100 - 100 - 3.7=100 HG2 ARG 27 + HA LYS 31 OK 74 97 - 77 - 1932/3.0=10, 643/3.0=9...(37) HD2 LYS 44 + HA LYS 31 OK 51 95 - 54 - 4802/3.0=11, ~4801=7...(18) HD3 LYS 56 - HA LYS 31 OK 28 92 - 30 - 1932/3.0=4, 1962/3.7=3...(12) HB3 LEU 34 - HA LYS 31 OK 15 93 - 16 - 3.1/4674=2, 136/3.6=2...(6) HG2 ARG 27 - HA ASN 24 poor 7 52 - 14 - 4.9/614=2, 1.8/1791=2...(8) HG2 LYS 31 - HA ASN 24 lone 5 57 - 8 - QB ALA 69 - HA LYS 31 lone 3 76 - 4 - HB3 LEU 34 - HA ASN 24 lone 2 48 - 4 - HD3 LYS 56 - HA ASN 24 lone 2 47 - 4 - HD2 LYS 44 - HA ASN 24 lone 2 49 - 4 - QB ALA 69 - HA ASN 24 lone 1 36 - 4 - ~1031=1 Peak 1923 from cnoeabs.peaks (1.30, 4.60, 54.66 ppm; 3.75 A): 1 out of 18 assignments used, quality = 1.00: * HG3 LYS 31 + HA LYS 31 OK 100 100 - 100 - 3.7=100 HD3 LYS 44 - HA LYS 31 OK 42 98 - 43 - ~4802=7, 4801/3.0=7...(14) HB VAL 50 - HA LYS 31 OK 38 71 - 54 - ~4602=15, ~5045=12...(13) HB2 LYS 26 - HA LYS 31 OK 19 98 - 19 - 644/3.0=3, 4.3/614=3...(9) HG3 LYS 56 - HA LYS 31 OK 18 83 - 21 - 1933/3.0=3, 3.0/1922=2...(8) HG3 ARG 45 - HA LYS 31 OK 15 87 - 17 - 1933/3.0=2, ~6180=2...(7) HB3 LYS 68 - HA LYS 31 OK 12 99 - 12 - 137/3.6=3, 1933/3.0=1...(4) HB2 LYS 26 - HA ASN 24 poor 8 53 - 16 - 4521/4.8=5, 4.0/4518=3...(5) QB ALA 60 - HA LYS 31 lone 7 97 - 7 - 1933/3.0=1 HG3 LYS 17 - HA LYS 31 poor 6 60 - 10 - 2.9/1939=1, 2.9/1939=1 HG3 LYS 31 - HA ASN 24 lone 4 57 - 7 - HB3 LYS 68 - HA ASN 24 lone 4 55 - 7 - 6159/4.8=2, ~81=1 HG3 LYS 17 - HA ASN 24 lone 2 27 - 6 - ~80=1 HD3 LYS 44 - HA ASN 24 lone 1 53 - 2 - HB VAL 50 - HA ASN 24 lone 1 33 - 4 - 6159/4.8=2 HG3 LYS 56 - HA ASN 24 lone 1 41 - 3 - QB ALA 60 - HA ASN 24 lone 1 52 - 2 - HG3 ARG 45 - HA ASN 24 lone 1 43 - 2 - Peak 1924 from cnoeabs.peaks (1.67, 4.60, 54.66 ppm; 3.38 A): 4 out of 24 assignments used, quality = 0.99: * HD2 LYS 31 + HA LYS 31 OK 74 100 - 74 - 4.9=32, 3903/3.6=7...(26) HD3 LYS 31 + HA LYS 31 OK 74 100 - 74 - 4.9=32, 3903/3.6=7...(26) HB3 LYS 31 + HA LYS 31 OK 60 60 - 100 - 3.0=100 HB2 LEU 30 + HA LYS 31 OK 51 83 - 61 - 3892/3.0=10, ~3893=8...(24) HB3 ARG 27 - HA LYS 31 OK 36 65 - 55 - 1.8/1920=6, 2.9/1922=5...(33) HB3 GLU 51 - HA LYS 31 OK 15 96 - 16 - 645/3.0=2, 5066/3.7=2...(4) HB3 LYS 91 - HA LYS 31 OK 13 90 - 15 - 3719/3.0=2, 1.8/1920=2...(5) HG3 ARG 28 - HA LYS 31 OK 13 98 - 13 - 4.6/107=2, 1934/3.0=1 HG2 ARG 28 - HA LYS 31 OK 13 97 - 13 - 4.6/107=2, 1934/3.0=1 HB3 LEU 73 - HA ASN 24 poor 8 57 - 13 - 3176/4.8=4, ~3852=2...(6) HB3 LEU 73 - HA LYS 31 lone 6 100 - 6 - ~130=1, 645/3.0=1 HB2 LEU 30 - HA ASN 24 lone 4 41 - 9 - ~82=2, ~83=1, ~4489=1 HB3 LYS 91 - HA ASN 24 lone 4 46 - 8 - 3717/2.9=2, ~3707=1 HG3 ARG 28 - HA ASN 24 lone 4 53 - 7 - 4567/4.4=4, 4499/4.4=2 HG2 ARG 28 - HA ASN 24 lone 4 51 - 7 - 4567/4.4=4, 4499/4.4=2 HB3 ARG 27 - HA ASN 24 poor 3 30 - 11 - 4.0/614=2, 1.8/1767=1 HD3 LYS 31 - HA ASN 24 lone 3 57 - 5 - HD2 LYS 31 - HA ASN 24 lone 3 57 - 5 - HB3 LYS 31 - HA ASN 24 lone 2 27 - 7 - 4.1/3897=1 HB3 LYS 14 - HA LYS 31 lone 1 71 - 1 - HB2 LYS 14 - HA LYS 31 lone 1 71 - 1 - HB3 GLU 51 - HA ASN 24 lone 1 50 - 2 - HB3 LYS 14 - HA ASN 24 lone 1 33 - 2 - HB2 LYS 14 - HA ASN 24 lone 1 33 - 2 - Peak 1925 from cnoeabs.peaks (1.67, 4.60, 54.66 ppm; 3.38 A): 4 out of 26 assignments used, quality = 0.99: HD2 LYS 31 + HA LYS 31 OK 74 100 - 74 - 4.9=32, 3903/3.6=7...(26) * HD3 LYS 31 + HA LYS 31 OK 74 100 - 74 - 4.9=32, 3903/3.6=7...(26) HB3 LYS 31 + HA LYS 31 OK 65 65 - 100 - 3.0=100 HB2 LEU 30 + HA LYS 31 OK 54 87 - 62 - 3892/3.0=10, ~3893=8...(24) HB3 ARG 27 - HA LYS 31 OK 39 71 - 55 - 1.8/1920=6, 2.9/1922=5...(33) HB3 GLU 51 - HA LYS 31 OK 16 97 - 16 - 645/3.0=2, 5066/3.7=2...(4) HB3 LYS 91 - HA LYS 31 OK 14 93 - 15 - 3719/3.0=2, 1.8/1920=2...(5) HG3 ARG 28 - HA LYS 31 OK 13 97 - 13 - 4.6/107=2, 1934/3.0=1 HG2 ARG 28 - HA LYS 31 OK 12 95 - 13 - 4.6/107=2, 1934/3.0=1 HG2 LYS 78 - HA LYS 31 poor 10 63 - 16 - 3324/3.0=1, ~3331=1...(7) HB3 LEU 73 - HA ASN 24 poor 7 57 - 13 - 3176/4.8=4, ~3852=2...(6) HB3 LEU 73 - HA LYS 31 lone 6 100 - 6 - ~130=1, 645/3.0=1 HB2 LEU 30 - HA ASN 24 lone 4 43 - 9 - ~82=2, ~83=1, ~4489=1 HB3 LYS 91 - HA ASN 24 lone 4 48 - 8 - 3717/2.9=2, ~3707=1 HB3 ARG 27 - HA ASN 24 poor 4 33 - 11 - 4.0/614=2, 1.8/1767=1 HG3 ARG 28 - HA ASN 24 lone 4 51 - 7 - 4567/4.4=4, 4499/4.4=2 HG2 ARG 28 - HA ASN 24 lone 3 49 - 7 - 4567/4.4=4, 4499/4.4=2 HD3 LYS 31 - HA ASN 24 lone 3 57 - 5 - HD2 LYS 31 - HA ASN 24 lone 3 57 - 5 - HB3 LYS 31 - HA ASN 24 lone 2 30 - 7 - 4.1/3897=1 HB3 GLU 51 - HA ASN 24 lone 1 52 - 2 - HB2 LYS 14 - HA LYS 31 lone 1 65 - 1 - HB3 LYS 14 - HA LYS 31 lone 1 65 - 1 - HG2 LYS 78 - HA ASN 24 lone 1 29 - 2 - HB2 LYS 14 - HA ASN 24 lone 1 30 - 2 - HB3 LYS 14 - HA ASN 24 lone 1 30 - 2 - Peak 1926 from cnoeabs.peaks (2.97, 4.60, 54.66 ppm; 5.66 A): 4 out of 16 assignments used, quality = 1.00: * HE2 LYS 31 + HA LYS 31 OK 94 100 - 94 - 6.3=73, 2002/3.7=10...(27) HE3 LYS 31 + HA LYS 31 OK 94 100 - 94 - 6.3=73, 2002/3.7=10...(27) HE3 LYS 91 + HA LYS 31 OK 54 100 - 54 - 1937/3.0=6, 1957/3.7=6...(22) HE2 LYS 91 + HA LYS 31 OK 54 100 - 54 - 1937/3.0=6, 1957/3.7=6...(22) HD2 ARG 45 - HA LYS 31 OK 29 93 - 31 - 1936/3.0=3, 1966/3.7=3...(13) HD3 ARG 45 - HA LYS 31 OK 29 93 - 31 - 1936/3.0=3, 1966/3.7=3...(13) HB2 TYR 70 - HA LYS 31 OK 14 90 - 16 - 4.4/4598=4, 3129/4598=2...(4) HE2 LYS 91 - HA ASN 24 lone 5 56 - 9 - 3777/2.9=2, ~3777=1, ~3767=1 HE3 LYS 91 - HA ASN 24 lone 5 56 - 9 - 3777/2.9=2, ~3777=1, ~3767=1 HE2 LYS 31 - HA ASN 24 lone 5 57 - 9 - HE3 LYS 31 - HA ASN 24 lone 5 57 - 9 - HB3 HIS 15 - HA LYS 31 lone 4 100 - 4 - HB2 TYR 70 - HA ASN 24 lone 2 46 - 5 - HB3 HIS 15 - HA ASN 24 lone 2 56 - 3 - HD2 ARG 45 - HA ASN 24 lone 1 48 - 3 - HD3 ARG 45 - HA ASN 24 lone 1 48 - 3 - Peak 1927 from cnoeabs.peaks (2.97, 4.60, 54.66 ppm; 5.66 A): 4 out of 16 assignments used, quality = 1.00: * HE3 LYS 31 + HA LYS 31 OK 94 100 - 94 - 6.3=73, 2002/3.7=10...(27) HE2 LYS 31 + HA LYS 31 OK 94 100 - 94 - 6.3=73, 2002/3.7=10...(27) HE3 LYS 91 + HA LYS 31 OK 54 100 - 54 - 1937/3.0=6, 1957/3.7=6...(22) HE2 LYS 91 + HA LYS 31 OK 54 100 - 54 - 1937/3.0=6, 1957/3.7=6...(22) HD2 ARG 45 - HA LYS 31 OK 29 92 - 31 - 1936/3.0=3, 1966/3.7=3...(13) HD3 ARG 45 - HA LYS 31 OK 29 92 - 31 - 1936/3.0=3, 1966/3.7=3...(13) HB2 TYR 70 - HA LYS 31 OK 15 92 - 16 - 4.4/4598=4, 3129/4598=2...(4) HE2 LYS 91 - HA ASN 24 lone 5 56 - 9 - 3777/2.9=2, ~3777=1, ~3767=1 HE3 LYS 91 - HA ASN 24 lone 5 56 - 9 - 3777/2.9=2, ~3777=1, ~3767=1 HE3 LYS 31 - HA ASN 24 lone 5 57 - 9 - HE2 LYS 31 - HA ASN 24 lone 5 57 - 9 - HB3 HIS 15 - HA LYS 31 lone 4 100 - 4 - HB2 TYR 70 - HA ASN 24 lone 2 47 - 5 - HB3 HIS 15 - HA ASN 24 lone 2 56 - 3 - HD2 ARG 45 - HA ASN 24 lone 1 47 - 3 - HD3 ARG 45 - HA ASN 24 lone 1 47 - 3 - Peak 1928 from cnoeabs.peaks (8.49, 1.79, 34.20 ppm; 3.43 A): 2 out of 2 assignments used, quality = 0.94: * H LYS 31 + HB2 LYS 31 OK 89 100 - 89 - 3.9=67, 1938/1.8=21...(16) H THR 38 + HB2 LYS 31 OK 48 93 - 52 - 1938/1.8=10, 1918/3.0=8...(13) Peak 1929 from cnoeabs.peaks (4.60, 1.79, 34.20 ppm; 3.30 A): 2 out of 9 assignments used, quality = 1.00: * HA LYS 31 + HB2 LYS 31 OK 100 100 - 100 - 3.0=100 HA ARG 27 + HB2 LYS 31 OK 48 83 - 59 - 1939/1.8=7, 1959/3.0=5...(31) HA THR 38 - HB2 LYS 31 OK 42 92 - 46 - 3.0/1928=9, 1939/1.8=6...(18) HA ASP 43 - HB2 LYS 31 lone 6 99 - 6 - HA LEU 12 - HB2 LYS 31 lone 6 97 - 6 - HA ASN 24 - HB2 LYS 31 lone 4 57 - 6 - HA ASP 82 - HB2 LYS 31 lone 3 83 - 3 - HA ASN 63 - HB2 LYS 31 lone 3 71 - 4 - HA HIS 10 - HB2 LYS 31 lone 2 92 - 3 - Peak 1930 from cnoeabs.peaks (1.79, 1.79, 34.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 31 + HB2 LYS 31 OK 100 100 - 100 Peak 1931 from cnoeabs.peaks (1.70, 1.79, 34.20 ppm; 2.40 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LYS 31 + HB2 LYS 31 OK 100 100 - 100 - 1.8=100 HB3 ARG 27 - HB2 LYS 31 OK 40 100 - 40 - 1776=4, 2.9/1932=3...(20) HD3 LYS 31 - HB2 LYS 31 OK 30 65 - 46 - 3.6=30, 5.8/1928=2...(13) HD2 LYS 31 - HB2 LYS 31 OK 28 60 - 46 - 3.6=30, 5.8/1928=2...(13) HB2 LEU 30 - HB2 LYS 31 OK 26 98 - 27 - 4.6/1928=4, 3.0/4599=4...(12) HG2 LYS 78 - HB2 LYS 31 OK 15 100 - 15 - 3324=2, 2.9/3344=1...(4) HB3 LYS 91 - HB2 LYS 31 OK 13 95 - 13 - 3719=3, ~3710=1 HB3 GLU 51 - HB2 LYS 31 poor 9 89 - 11 - 1.8/2511=1, ~2510=1 HB3 LYS 17 - HB2 LYS 31 lone 6 83 - 7 - HB2 LYS 17 - HB2 LYS 31 lone 6 81 - 7 - HB3 LEU 73 - HB2 LYS 31 lone 1 60 - 2 - Peak 1932 from cnoeabs.peaks (1.41, 1.79, 34.20 ppm; 3.49 A): 3 out of 6 assignments used, quality = 1.00: * HG2 LYS 31 + HB2 LYS 31 OK 100 100 - 100 - 3.0=100 HG2 ARG 27 + HB2 LYS 31 OK 70 97 - 73 - 1962/3.0=7, 1942/1.8=6...(41) HD2 LYS 44 + HB2 LYS 31 OK 45 95 - 48 - 1.8/1933=6, 4802/3.9=6...(21) HD3 LYS 56 - HB2 LYS 31 OK 27 92 - 29 - 1962/3.0=3, 3.0/1933=2...(11) HB3 LEU 34 - HB2 LYS 31 OK 12 93 - 13 - 136/4.1=1, 1942/1.8=1...(4) QB ALA 69 - HB2 LYS 31 lone 3 76 - 4 - Peak 1933 from cnoeabs.peaks (1.30, 1.79, 34.20 ppm; 3.37 A): 1 out of 9 assignments used, quality = 1.00: * HG3 LYS 31 + HB2 LYS 31 OK 100 100 - 100 - 3.0=100 HD3 LYS 44 - HB2 LYS 31 OK 42 98 - 43 - 1.8/1932=6, 1953/3.0=5...(18) HB VAL 50 - HB2 LYS 31 OK 24 71 - 33 - 2.1/4604=10, 137/4.1=3...(13) HG3 LYS 56 - HB2 LYS 31 OK 21 83 - 25 - 3.0/1932=3, 1953/3.0=2...(8) HB2 LYS 26 - HB2 LYS 31 OK 20 98 - 20 - 4.3/615=3, 644/3.9=2...(8) HG3 ARG 45 - HB2 LYS 31 OK 16 87 - 18 - 1953/3.0=2, 1943/1.8=1...(5) HB3 LYS 68 - HB2 LYS 31 OK 11 99 - 11 - 137/4.1=2 QB ALA 60 - HB2 LYS 31 lone 8 97 - 8 - HG3 LYS 17 - HB2 LYS 31 poor 6 60 - 10 - Peak 1934 from cnoeabs.peaks (1.67, 1.79, 34.20 ppm; 2.40 A): 4 out of 12 assignments used, quality = 0.92: HB3 LYS 31 + HB2 LYS 31 OK 60 60 - 100 - 1.8=100 * HD2 LYS 31 + HB2 LYS 31 OK 49 100 - 49 - 3.6=30, 1964/3.0=4...(13) HD3 LYS 31 + HB2 LYS 31 OK 49 100 - 49 - 3.6=30, 1964/3.0=4...(13) HB3 ARG 27 + HB2 LYS 31 OK 24 65 - 37 - 2.9/1932=3, 3.0/1929=3...(19) HB2 LEU 30 - HB2 LYS 31 OK 21 83 - 25 - 4.6/1928=4, 3.0/4599=4...(10) HB3 LYS 91 - HB2 LYS 31 OK 12 90 - 13 - 3719=3, ~3710=1 HB3 GLU 51 - HB2 LYS 31 OK 10 96 - 11 - 2517=1, 1.8/2511=1, ~2510=1 HG3 ARG 28 - HB2 LYS 31 lone 8 98 - 8 - HG2 ARG 28 - HB2 LYS 31 lone 8 97 - 8 - HB3 LEU 73 - HB2 LYS 31 lone 3 100 - 3 - HB3 LYS 14 - HB2 LYS 31 lone 1 71 - 1 - HB2 LYS 14 - HB2 LYS 31 lone 1 71 - 1 - Peak 1935 from cnoeabs.peaks (1.67, 1.79, 34.20 ppm; 2.40 A): 4 out of 13 assignments used, quality = 0.93: HB3 LYS 31 + HB2 LYS 31 OK 65 65 - 100 - 1.8=100 * HD3 LYS 31 + HB2 LYS 31 OK 49 100 - 49 - 3.6=30, 1964/3.0=4...(13) HD2 LYS 31 + HB2 LYS 31 OK 49 100 - 49 - 3.6=30, 1964/3.0=4...(13) HB3 ARG 27 + HB2 LYS 31 OK 26 71 - 37 - 2.9/1932=3, 1776=3...(20) HB2 LEU 30 - HB2 LYS 31 OK 22 87 - 25 - 4.6/1928=4, 3.0/4599=4...(10) HB3 LYS 91 - HB2 LYS 31 OK 12 93 - 13 - 3719=3, ~3710=1 HB3 GLU 51 - HB2 LYS 31 OK 11 97 - 11 - 2517=1, 1.8/2511=1, ~2510=1 HG2 LYS 78 - HB2 LYS 31 poor 9 63 - 14 - 2.9/3344=1, 1.8/3334=1, ~3331=1 HG3 ARG 28 - HB2 LYS 31 lone 8 97 - 8 - HG2 ARG 28 - HB2 LYS 31 lone 7 95 - 8 - HB3 LEU 73 - HB2 LYS 31 lone 3 100 - 3 - HB3 LYS 14 - HB2 LYS 31 lone 1 65 - 1 - HB2 LYS 14 - HB2 LYS 31 lone 1 65 - 1 - Peak 1936 from cnoeabs.peaks (2.97, 1.79, 34.20 ppm; 4.90 A): 4 out of 8 assignments used, quality = 1.00: * HE2 LYS 31 + HB2 LYS 31 OK 95 100 - 95 - 5.3=78, 7.0/1928=11...(29) HE3 LYS 31 + HB2 LYS 31 OK 95 100 - 95 - 5.3=78, 7.0/1928=11...(29) HE2 LYS 91 + HB2 LYS 31 OK 63 100 - 64 - 1957/3.0=5, 1967/3.0=5...(33) HE3 LYS 91 + HB2 LYS 31 OK 63 100 - 64 - 1957/3.0=5, 1967/3.0=5...(33) HD3 ARG 45 - HB2 LYS 31 OK 34 93 - 36 - 1966/3.0=3, 1956/3.0=3...(20) HD2 ARG 45 - HB2 LYS 31 OK 34 93 - 36 - 1966/3.0=3, 1956/3.0=3...(20) HB2 TYR 70 - HB2 LYS 31 OK 14 90 - 15 - 4.4/5609=1, 4.0/5590=1...(4) HB3 HIS 15 - HB2 LYS 31 lone 4 100 - 4 - Peak 1937 from cnoeabs.peaks (2.97, 1.79, 34.20 ppm; 4.90 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 31 + HB2 LYS 31 OK 95 100 - 95 - 5.3=78, 7.0/1928=11...(29) HE2 LYS 31 + HB2 LYS 31 OK 95 100 - 95 - 5.3=78, 7.0/1928=11...(29) HE2 LYS 91 + HB2 LYS 31 OK 63 100 - 64 - 1957/3.0=5, 1967/3.0=5...(33) HE3 LYS 91 + HB2 LYS 31 OK 63 100 - 64 - 1957/3.0=5, 1967/3.0=5...(33) HD3 ARG 45 - HB2 LYS 31 OK 33 92 - 36 - 1966/3.0=3, 1956/3.0=3...(20) HD2 ARG 45 - HB2 LYS 31 OK 33 92 - 36 - 1966/3.0=3, 1956/3.0=3...(20) HB2 TYR 70 - HB2 LYS 31 OK 14 92 - 15 - 4.4/5609=1, 4.0/5590=1...(4) HB3 HIS 15 - HB2 LYS 31 lone 4 100 - 4 - Peak 1938 from cnoeabs.peaks (8.49, 1.70, 34.20 ppm; 3.40 A): 2 out of 6 assignments used, quality = 0.93: * H LYS 31 + HB3 LYS 31 OK 88 100 - 88 - 3.9=65, 1928/1.8=23...(14) H THR 38 + HB3 LYS 31 OK 44 93 - 47 - 1928/1.8=12, 1918/3.0=8...(11) H LYS 31 - HB3 LYS 17 lone 7 74 - 10 - 642=1, 4.7/3899=1, 3.0/1939=1 H LYS 31 - HB2 LYS 17 lone 7 72 - 9 - 642=1, 4.7/3899=1, 642/1.8=1 H THR 38 - HB3 LYS 17 lone 3 64 - 5 - 4781/2.9=1 H THR 38 - HB2 LYS 17 lone 3 62 - 5 - 4781/2.9=1 Peak 1939 from cnoeabs.peaks (4.60, 1.70, 34.20 ppm; 3.37 A): 3 out of 27 assignments used, quality = 1.00: * HA LYS 31 + HB3 LYS 31 OK 100 100 - 100 - 3.0=100 HA ARG 27 + HB3 LYS 31 OK 51 83 - 62 - 1929/1.8=8, 1959/3.0=5...(33) HA THR 38 + HB3 LYS 31 OK 45 92 - 49 - 3.0/1938=8, 1929/1.8=7...(19) HA LYS 31 - HB3 LYS 17 poor 10 74 - 13 - 3.6/3899=2, 1921=1, 3.0/1938=1 HA LYS 31 - HB2 LYS 17 poor 9 72 - 13 - 3.6/3899=1, 1921=1...(4) HA LEU 12 - HB3 LYS 31 lone 6 97 - 6 - HA ASP 43 - HB3 LYS 31 lone 6 99 - 6 - HA ARG 27 - HB3 LYS 17 lone 5 54 - 8 - HA ARG 27 - HB2 LYS 17 lone 4 52 - 8 - HA ASN 24 - HB3 LYS 31 lone 4 57 - 7 - 3897/4.1=1 HA ASP 82 - HB3 LYS 31 lone 3 83 - 3 - HA HIS 10 - HB3 LYS 31 lone 3 92 - 3 - HA THR 38 - HB3 LYS 17 lone 3 62 - 4 - HA THR 38 - HB2 LYS 17 lone 3 60 - 4 - HA ASN 63 - HB3 LYS 31 lone 2 71 - 3 - HA ASN 63 - HB3 LYS 17 lone 2 45 - 4 - HA ASN 63 - HB2 LYS 17 lone 2 43 - 4 - HA ASN 24 - HB3 LYS 17 lone 2 35 - 4 - HA ASN 24 - HB2 LYS 17 lone 2 34 - 4 - HA ASP 43 - HB3 LYS 17 lone 1 70 - 1 - HA ASP 43 - HB2 LYS 17 lone 1 68 - 1 - HA ASP 82 - HB3 LYS 17 lone 1 54 - 1 - HA LEU 12 - HB3 LYS 17 lone 1 69 - 1 - HA ASP 82 - HB2 LYS 17 lone 1 52 - 1 - HA LEU 12 - HB2 LYS 17 lone 1 66 - 1 - HA HIS 10 - HB3 LYS 17 lone 0 62 - 1 - HA HIS 10 - HB2 LYS 17 lone 0 60 - 1 - Peak 1940 from cnoeabs.peaks (1.79, 1.70, 34.20 ppm; 2.40 A): 1 out of 51 assignments used, quality = 1.00: * HB2 LYS 31 + HB3 LYS 31 OK 100 100 - 100 - 1.8=100 HB2 ARG 27 - HB3 LYS 31 OK 42 97 - 44 - 1769=5, 1770/3.0=3...(20) HB2 LYS 91 - HB3 LYS 31 OK 18 99 - 18 - 3710=4 HB2 LYS 65 - HB3 LYS 17 OK 17 74 - 23 - 2920/1.8=3, 2920=2...(5) HB2 LYS 65 - HB2 LYS 17 OK 16 72 - 23 - 2920/1.8=3, 2920=3...(5) HD3 LYS 78 - HB3 LYS 31 OK 16 100 - 16 - 3351=2, 1.8/3341=2...(5) HG2 GLU 51 - HB3 LYS 31 poor 10 81 - 12 - 3.0/2510=1 HG3 GLU 51 - HB3 LYS 31 poor 9 78 - 12 - 3.0/2510=1 HB2 ARG 28 - HB3 LYS 31 lone 7 100 - 7 - 4.0/109=1 HB3 GLU 33 - HB3 LYS 31 poor 7 63 - 11 - 3.0/4661=2, ~6034=2, 3.0/4666=2 HB2 LYS 44 - HB3 LYS 31 poor 6 63 - 10 - 3.7/1942=1, 3.7/1943=1 HB2 LYS 31 - HB3 LYS 17 lone 6 74 - 7 - 1931=1 HB3 ARG 28 - HB3 LYS 31 lone 5 83 - 6 - 4.0/109=1 HB2 LYS 31 - HB2 LYS 17 lone 5 72 - 7 - 1931=1 HD3 LYS 78 - HB3 LYS 17 lone 5 73 - 7 - HB2 ARG 27 - HB3 LYS 17 lone 5 67 - 7 - HB2 ARG 27 - HB2 LYS 17 lone 5 65 - 7 - HD3 LYS 78 - HB2 LYS 17 lone 5 71 - 7 - HG3 GLU 37 - HB3 LYS 31 lone 5 100 - 5 - 3935/3.9=1 HB2 MET 48 - HB3 LYS 31 lone 4 99 - 4 - 134/4.1=1 HB2 GLU 37 - HB3 LYS 31 lone 3 60 - 6 - 4.4/1938=2 HB2 MET 48 - HB3 LYS 17 lone 3 71 - 4 - QB ALA 74 - HB3 LYS 31 lone 3 97 - 3 - HG LEU 76 - HB3 LYS 31 lone 2 81 - 3 - HB2 MET 48 - HB2 LYS 17 lone 2 69 - 3 - HB2 LYS 65 - HB3 LYS 31 lone 2 100 - 2 - HB3 GLU 33 - HB3 LYS 17 lone 2 39 - 5 - HB3 GLU 33 - HB2 LYS 17 lone 2 38 - 5 - HG LEU 76 - HB3 LYS 17 lone 2 52 - 3 - HG LEU 76 - HB2 LYS 17 lone 2 51 - 3 - HG3 GLU 37 - HB3 LYS 17 lone 1 74 - 2 - HG3 GLU 37 - HB2 LYS 17 lone 1 72 - 2 - QE MET 11 - HB3 LYS 31 lone 1 87 - 1 - QB ALA 74 - HB3 LYS 17 lone 1 67 - 1 - QB ALA 74 - HB2 LYS 17 lone 1 65 - 1 - HG2 GLU 51 - HB3 LYS 17 lone 1 52 - 1 - HG3 GLU 51 - HB3 LYS 17 lone 1 51 - 1 - HG2 GLU 51 - HB2 LYS 17 lone 1 51 - 1 - HG3 GLU 51 - HB2 LYS 17 lone 1 49 - 1 - QE MET 11 - HB3 LYS 17 lone 1 58 - 1 - HB2 GLU 37 - HB3 LYS 17 lone 1 37 - 2 - QE MET 11 - HB2 LYS 17 lone 1 56 - 1 - HB2 GLU 37 - HB2 LYS 17 lone 1 36 - 1 - HB2 LYS 44 - HB3 LYS 17 lone 0 39 - 1 - HB2 ARG 28 - HB3 LYS 17 lone 0 74 - 1 - HB2 LYS 44 - HB2 LYS 17 lone 0 38 - 1 - HB2 ARG 28 - HB2 LYS 17 lone 0 72 - 0 - HB2 LYS 91 - HB3 LYS 17 lone 0 72 - 0 - HB2 LYS 91 - HB2 LYS 17 lone 0 70 - 0 - HB3 ARG 28 - HB3 LYS 17 lone 0 54 - 0 - HB3 ARG 28 - HB2 LYS 17 lone 0 52 - 0 - Peak 1941 from cnoeabs.peaks (1.70, 1.70, 34.20 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 LYS 31 + HB3 LYS 31 OK 100 100 - 100 HB3 LYS 17 + HB3 LYS 17 OK 54 54 - 100 HB2 LYS 17 + HB2 LYS 17 OK 51 51 - 100 Peak 1942 from cnoeabs.peaks (1.41, 1.70, 34.20 ppm; 3.45 A): 2 out of 18 assignments used, quality = 1.00: * HG2 LYS 31 + HB3 LYS 31 OK 100 100 - 100 - 3.0=100 HG2 ARG 27 + HB3 LYS 31 OK 70 97 - 72 - 1932/1.8=10, 1962/3.0=7...(39) HD2 LYS 44 - HB3 LYS 31 OK 44 95 - 47 - 1932/1.8=6, 4802/3.9=6...(20) HD3 LYS 56 - HB3 LYS 17 OK 31 62 - 51 - 2674/2.9=4, 2671/3.7=4...(33) HD3 LYS 56 - HB2 LYS 17 OK 30 60 - 51 - 2674/2.9=4, 2671/3.7=4...(33) HD3 LYS 56 - HB3 LYS 31 OK 25 92 - 27 - 1932/1.8=4, 1962/3.0=3...(10) HB3 LEU 34 - HB3 LYS 17 OK 18 64 - 29 - 2088/2.9=2, ~2104=2...(10) HB3 LEU 34 - HB2 LYS 17 OK 18 62 - 29 - 2088/2.9=2, ~2104=2...(10) HB3 LEU 34 - HB3 LYS 31 OK 12 93 - 13 - 1932/1.8=2, 136/4.1=1 HG2 ARG 27 - HB3 LYS 17 OK 12 69 - 17 - 1785=1, 1.8/1793=1 HG2 ARG 27 - HB2 LYS 17 OK 11 66 - 17 - 1785=1, 1785/1.8=1 HG2 LYS 31 - HB3 LYS 17 OK 10 74 - 14 - 1951=1, 1951/1.8=1 HG2 LYS 31 - HB2 LYS 17 OK 10 72 - 14 - 1951=1, 1951/1.8=1 HD2 LYS 44 - HB3 LYS 17 lone 4 65 - 6 - HD2 LYS 44 - HB2 LYS 17 lone 4 63 - 6 - QB ALA 69 - HB3 LYS 31 lone 3 76 - 3 - QB ALA 69 - HB3 LYS 17 lone 1 49 - 2 - QB ALA 69 - HB2 LYS 17 lone 1 47 - 2 - Peak 1943 from cnoeabs.peaks (1.30, 1.70, 34.20 ppm; 3.21 A): 1 out of 27 assignments used, quality = 1.00: * HG3 LYS 31 + HB3 LYS 31 OK 100 100 - 100 - 3.0=100 HD3 LYS 44 - HB3 LYS 31 OK 39 98 - 40 - 1933/1.8=6, 1953/3.0=5...(17) HG3 LYS 17 - HB3 LYS 17 OK 37 37 - 100 - 2.9=100 HG3 LYS 17 - HB2 LYS 17 OK 36 36 - 100 - 2.9=100 HB VAL 50 - HB3 LYS 31 OK 22 71 - 31 - ~4604=8, 1933/1.8=3...(13) HG3 LYS 56 - HB3 LYS 17 OK 20 54 - 38 - ~2644=2, ~5223=2...(18) HG3 LYS 56 - HB2 LYS 17 OK 19 52 - 37 - ~2644=2, ~5223=2...(19) HG3 LYS 56 - HB3 LYS 31 OK 18 83 - 22 - 1933/1.8=3, 1.8/5215=2...(7) HB2 LYS 26 - HB3 LYS 31 OK 17 98 - 17 - 1933/1.8=3, 4.3/616=2...(6) HG3 ARG 45 - HB3 LYS 31 OK 14 87 - 16 - 1933/1.8=2, 1953/3.0=2 HB3 LYS 68 - HB3 LYS 31 OK 11 99 - 11 - 137/4.1=2, 1933/1.8=2 HB3 LYS 68 - HB3 LYS 17 poor 9 71 - 13 - 3050/2.9=2 HB3 LYS 68 - HB2 LYS 17 poor 9 69 - 13 - 3050/2.9=2 HG3 LYS 31 - HB3 LYS 17 poor 8 74 - 11 - 1961=1 HG3 LYS 31 - HB2 LYS 17 poor 8 72 - 11 - 1961=1 QB ALA 60 - HB3 LYS 31 lone 7 97 - 7 - 1933/1.8=1 HG3 LYS 17 - HB3 LYS 31 lone 5 60 - 9 - QB ALA 60 - HB3 LYS 17 lone 3 69 - 5 - 5363/3.0=2 QB ALA 60 - HB2 LYS 17 lone 3 66 - 5 - 5363/3.0=2 HD3 LYS 44 - HB3 LYS 17 lone 3 70 - 4 - HD3 LYS 44 - HB2 LYS 17 lone 3 67 - 4 - HB2 LYS 26 - HB3 LYS 17 lone 2 70 - 3 - HB2 LYS 26 - HB2 LYS 17 lone 2 67 - 3 - HG3 ARG 45 - HB3 LYS 17 lone 1 58 - 1 - HB VAL 50 - HB3 LYS 17 lone 1 45 - 2 - HG3 ARG 45 - HB2 LYS 17 lone 1 56 - 1 - HB VAL 50 - HB2 LYS 17 lone 1 43 - 2 - Peak 1944 from cnoeabs.peaks (1.67, 1.70, 34.20 ppm; diagonal): 1 out of 1 assignment used, quality = 0.60: HB3 LYS 31 + HB3 LYS 31 OK 60 60 - 100 Reference assignment not found: HD2 LYS 31 - HB3 LYS 31 Peak 1945 from cnoeabs.peaks (1.67, 1.70, 34.20 ppm; diagonal): 1 out of 1 assignment used, quality = 0.65: HB3 LYS 31 + HB3 LYS 31 OK 65 65 - 100 Reference assignment not found: HD3 LYS 31 - HB3 LYS 31 Peak 1946 from cnoeabs.peaks (2.97, 1.70, 34.20 ppm; 4.80 A): 4 out of 24 assignments used, quality = 1.00: * HE2 LYS 31 + HB3 LYS 31 OK 95 100 - 95 - 5.3=74, 2002/3.0=10...(29) HE3 LYS 31 + HB3 LYS 31 OK 95 100 - 95 - 5.3=74, 2002/3.0=10...(29) HE3 LYS 91 + HB3 LYS 31 OK 61 100 - 62 - 1937/1.8=6, 1957/3.0=5...(33) HE2 LYS 91 + HB3 LYS 31 OK 61 100 - 62 - 1937/1.8=6, 1957/3.0=5...(33) HD3 ARG 45 - HB3 LYS 31 OK 33 93 - 35 - 1936/1.8=3, 1966/3.0=3...(20) HD2 ARG 45 - HB3 LYS 31 OK 33 93 - 35 - 1936/1.8=3, 1966/3.0=3...(20) HB3 HIS 15 - HB3 LYS 17 OK 30 73 - 41 - 4295/2.9=12, ~4293=11...(5) HB3 HIS 15 - HB2 LYS 17 OK 29 71 - 41 - 4295/2.9=12, ~4293=11...(5) HB2 TYR 70 - HB3 LYS 31 OK 10 90 - 11 - 1937/1.8=1 HE2 LYS 31 - HB3 LYS 17 lone 6 74 - 8 - 3.6/1951=1, 3.6/1961=1 HE3 LYS 31 - HB3 LYS 17 lone 6 74 - 8 - 3.6/1951=1, 3.6/1961=1 HE2 LYS 31 - HB2 LYS 17 lone 5 72 - 7 - 3.6/1951=1 HE3 LYS 31 - HB2 LYS 17 lone 5 72 - 7 - 3.6/1951=1 HB3 HIS 15 - HB3 LYS 31 lone 4 100 - 4 - HB2 TYR 70 - HB3 LYS 17 lone 2 61 - 3 - HB2 TYR 70 - HB2 LYS 17 lone 2 59 - 3 - HE2 LYS 91 - HB3 LYS 17 lone 2 73 - 2 - HE3 LYS 91 - HB3 LYS 17 lone 2 73 - 2 - HD2 ARG 45 - HB3 LYS 17 lone 2 64 - 2 - HD3 ARG 45 - HB3 LYS 17 lone 2 64 - 2 - HE3 LYS 91 - HB2 LYS 17 lone 2 71 - 2 - HE2 LYS 91 - HB2 LYS 17 lone 2 71 - 2 - HD2 ARG 45 - HB2 LYS 17 lone 2 62 - 2 - HD3 ARG 45 - HB2 LYS 17 lone 2 62 - 2 - Peak 1947 from cnoeabs.peaks (2.97, 1.70, 34.20 ppm; 4.80 A): 4 out of 24 assignments used, quality = 1.00: * HE3 LYS 31 + HB3 LYS 31 OK 95 100 - 95 - 5.3=74, 2002/3.0=10...(29) HE2 LYS 31 + HB3 LYS 31 OK 95 100 - 95 - 5.3=74, 2002/3.0=10...(29) HE3 LYS 91 + HB3 LYS 31 OK 61 100 - 62 - 1937/1.8=6, 1957/3.0=5...(33) HE2 LYS 91 + HB3 LYS 31 OK 61 100 - 62 - 1937/1.8=6, 1957/3.0=5...(33) HD3 ARG 45 - HB3 LYS 31 OK 33 92 - 35 - 1936/1.8=3, 1966/3.0=3...(20) HD2 ARG 45 - HB3 LYS 31 OK 33 92 - 35 - 1936/1.8=3, 1966/3.0=3...(20) HB3 HIS 15 - HB3 LYS 17 OK 29 72 - 41 - 4295/2.9=12, ~4293=11...(5) HB3 HIS 15 - HB2 LYS 17 OK 28 70 - 41 - 4295/2.9=12, ~4293=11...(5) HB2 TYR 70 - HB3 LYS 31 OK 10 92 - 11 - 1937/1.8=1 HE3 LYS 31 - HB3 LYS 17 lone 6 74 - 8 - 3.6/1951=1, 3.6/1961=1 HE2 LYS 31 - HB3 LYS 17 lone 6 74 - 8 - 3.6/1951=1, 3.6/1961=1 HE3 LYS 31 - HB2 LYS 17 lone 5 72 - 7 - 3.6/1951=1 HE2 LYS 31 - HB2 LYS 17 lone 5 72 - 7 - 3.6/1951=1 HB3 HIS 15 - HB3 LYS 31 lone 4 100 - 4 - HB2 TYR 70 - HB3 LYS 17 lone 2 62 - 3 - HB2 TYR 70 - HB2 LYS 17 lone 2 60 - 3 - HE2 LYS 91 - HB3 LYS 17 lone 2 73 - 2 - HE3 LYS 91 - HB3 LYS 17 lone 2 73 - 2 - HE3 LYS 91 - HB2 LYS 17 lone 2 71 - 2 - HE2 LYS 91 - HB2 LYS 17 lone 2 71 - 2 - HD3 ARG 45 - HB3 LYS 17 lone 2 62 - 2 - HD2 ARG 45 - HB3 LYS 17 lone 2 62 - 2 - HD2 ARG 45 - HB2 LYS 17 lone 2 60 - 2 - HD3 ARG 45 - HB2 LYS 17 lone 2 60 - 2 - Peak 1948 from cnoeabs.peaks (8.49, 1.41, 24.47 ppm; 4.29 A): 2 out of 2 assignments used, quality = 0.98: * H LYS 31 + HG2 LYS 31 OK 96 100 - 96 - 4.6=81, 1928/3.0=25...(15) H THR 38 + HG2 LYS 31 OK 61 93 - 65 - 1958/1.8=15, 1928/3.0=14...(14) Peak 1949 from cnoeabs.peaks (4.60, 1.41, 24.47 ppm; 3.97 A): 3 out of 9 assignments used, quality = 1.00: * HA LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.7=100 HA ARG 27 + HG2 LYS 31 OK 58 83 - 70 - 1959/1.8=9, 1929/3.0=8...(29) HA THR 38 + HG2 LYS 31 OK 51 92 - 56 - 3.0/1948=10, 1959/1.8=8...(16) HA ASP 43 - HG2 LYS 31 lone 9 99 - 9 - 3.6/705=3, 1959/1.8=1 HA LEU 12 - HG2 LYS 31 lone 6 97 - 6 - 1959/1.8=1 HA ASN 24 - HG2 LYS 31 lone 4 57 - 7 - HA ASP 82 - HG2 LYS 31 lone 3 83 - 4 - HA HIS 10 - HG2 LYS 31 lone 3 92 - 3 - HA ASN 63 - HG2 LYS 31 lone 3 71 - 4 - Peak 1950 from cnoeabs.peaks (1.79, 1.41, 24.47 ppm; 3.59 A): 2 out of 17 assignments used, quality = 1.00: * HB2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.0=100 HB2 ARG 27 + HG2 LYS 31 OK 73 97 - 76 - 1770=10, 1.8/1778=7...(42) HB2 LYS 91 - HG2 LYS 31 OK 26 99 - 26 - 3710/3.0=3, 1960/1.8=3...(10) HB2 LYS 44 - HG2 LYS 31 OK 24 63 - 38 - 1.8/2272=5, 3.7/1953=5...(15) HD3 LYS 78 - HG2 LYS 31 OK 22 100 - 22 - 3351/3.0=3, 1960/1.8=2...(7) HB2 ARG 28 - HG2 LYS 31 OK 19 100 - 19 - 4.0/110=3, 1960/1.8=2...(4) HB3 GLU 33 - HG2 LYS 31 OK 19 63 - 30 - ~6034=6, 3.0/4665=4...(11) HG2 GLU 51 - HG2 LYS 31 OK 18 81 - 22 - 1960/1.8=2, ~5066=2...(6) HG3 GLU 51 - HG2 LYS 31 OK 17 78 - 22 - 1960/1.8=2, ~5066=2...(6) HB3 ARG 28 - HG2 LYS 31 OK 15 83 - 18 - 4.0/110=3, 1960/1.8=1...(5) HG3 GLU 37 - HG2 LYS 31 OK 11 100 - 11 - 3935/4.6=3, 1960/1.8=1...(4) HB2 GLU 37 - HG2 LYS 31 poor 8 60 - 14 - 4.4/1948=6, 3932/4.6=2 HB2 MET 48 - HG2 LYS 31 lone 8 99 - 8 - 3935/4.6=1, 134/3900=1 QB ALA 74 - HG2 LYS 31 lone 6 97 - 7 - HB2 LYS 65 - HG2 LYS 31 lone 4 100 - 4 - HG LEU 76 - HG2 LYS 31 lone 4 81 - 5 - QE MET 11 - HG2 LYS 31 lone 3 87 - 3 - Peak 1951 from cnoeabs.peaks (1.70, 1.41, 24.47 ppm; 3.23 A): 4 out of 11 assignments used, quality = 1.00: * HB3 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 65 65 - 100 - 3.0=100 HB3 ARG 27 + HG2 LYS 31 OK 62 100 - 62 - 1.8/1770=7, 1778=6...(31) HD2 LYS 31 + HG2 LYS 31 OK 60 60 - 100 - 3.0=100 HB2 LEU 30 - HG2 LYS 31 OK 33 98 - 34 - 3892/4.6=7, ~4600=4...(10) HG2 LYS 78 - HG2 LYS 31 OK 17 100 - 17 - 3324/3.0=2, 1961/1.8=2...(5) HB3 LYS 91 - HG2 LYS 31 OK 16 95 - 17 - 3719/3.0=2, 1.8/1950=2...(7) HB3 GLU 51 - HG2 LYS 31 OK 15 89 - 17 - 5066/1.8=2, ~5059=2...(6) HB3 LYS 17 - HG2 LYS 31 OK 10 83 - 12 - 1942=1 HB2 LYS 17 - HG2 LYS 31 poor 10 81 - 12 - 1942=1 HB3 LEU 73 - HG2 LYS 31 lone 3 60 - 5 - Peak 1952 from cnoeabs.peaks (1.41, 1.41, 24.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 Peak 1953 from cnoeabs.peaks (1.30, 1.41, 24.47 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * HG3 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 1.8=100 HD3 LYS 44 - HG2 LYS 31 OK 28 98 - 28 - 2312=4, 1933/3.0=2...(15) HG3 LYS 56 - HG2 LYS 31 OK 11 83 - 13 - 1933/3.0=1, 1.8/2646=1 HB VAL 50 - HG2 LYS 31 poor 9 71 - 13 - ~4604=3, ~2498=1...(5) HG3 ARG 45 - HG2 LYS 31 lone 8 87 - 10 - HB2 LYS 26 - HG2 LYS 31 lone 8 98 - 9 - 4.3/617=2 HB3 LYS 68 - HG2 LYS 31 lone 5 99 - 5 - QB ALA 60 - HG2 LYS 31 lone 4 97 - 4 - HG3 LYS 17 - HG2 LYS 31 lone 3 60 - 4 - Peak 1954 from cnoeabs.peaks (1.67, 1.41, 24.47 ppm; 2.99 A): 3 out of 12 assignments used, quality = 1.00: * HD2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.0=100 HB3 LYS 31 + HG2 LYS 31 OK 60 60 - 100 - 3.0=100 HB3 ARG 27 - HG2 LYS 31 OK 34 65 - 52 - 1.8/1770=6, 2.9/1794=5...(28) HB2 LEU 30 - HG2 LYS 31 OK 22 83 - 27 - 4.6/1948=6, ~4600=3...(9) HB3 GLU 51 - HG2 LYS 31 OK 14 96 - 14 - 5066/1.8=2, ~5059=1, 2517/3.0=1 HG3 ARG 28 - HG2 LYS 31 OK 13 98 - 14 - 4.6/110=2, 1964/1.8=1 HG2 ARG 28 - HG2 LYS 31 OK 13 97 - 13 - 4.6/110=2, 1964/1.8=1 HB3 LYS 91 - HG2 LYS 31 OK 12 90 - 14 - 3719/3.0=2, 1.8/1950=2...(7) HB3 LEU 73 - HG2 LYS 31 lone 5 100 - 5 - HB3 LYS 14 - HG2 LYS 31 lone 1 71 - 1 - HB2 LYS 14 - HG2 LYS 31 lone 1 71 - 1 - Peak 1955 from cnoeabs.peaks (1.67, 1.41, 24.47 ppm; 2.99 A): 3 out of 13 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 HB3 LYS 31 + HG2 LYS 31 OK 65 65 - 100 - 3.0=100 HB3 ARG 27 - HG2 LYS 31 OK 37 71 - 52 - 1.8/1770=6, 2.9/1794=5...(28) HB2 LEU 30 - HG2 LYS 31 OK 24 87 - 27 - 4.6/1948=6, ~4600=3...(9) HB3 GLU 51 - HG2 LYS 31 OK 14 97 - 14 - 5066/1.8=2, ~5059=1, 2517/3.0=1 HG3 ARG 28 - HG2 LYS 31 OK 13 97 - 13 - 4.6/110=2, 1964/1.8=1 HG2 ARG 28 - HG2 LYS 31 OK 13 95 - 13 - 4.6/110=2, 1964/1.8=1 HB3 LYS 91 - HG2 LYS 31 OK 13 93 - 14 - 3719/3.0=2, 1.8/1950=2...(7) HG2 LYS 78 - HG2 LYS 31 poor 8 63 - 12 - 3324/3.0=1, 2.9/1950=1, ~3331=1 HB3 LEU 73 - HG2 LYS 31 lone 5 100 - 5 - HB3 LYS 14 - HG2 LYS 31 lone 1 65 - 1 - HB2 LYS 14 - HG2 LYS 31 lone 1 65 - 1 - Peak 1956 from cnoeabs.peaks (2.97, 1.41, 24.47 ppm; 4.03 A): 4 out of 8 assignments used, quality = 1.00: * HE2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.6=100 HE3 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.6=100 HE2 LYS 91 + HG2 LYS 31 OK 48 100 - 49 - 1967/1.8=5, 1992=5...(25) HE3 LYS 91 + HG2 LYS 31 OK 48 100 - 49 - 1967/1.8=5, 1992=5...(25) HD3 ARG 45 - HG2 LYS 31 OK 26 93 - 28 - 1966/1.8=3, 3.0/1953=2...(15) HD2 ARG 45 - HG2 LYS 31 OK 26 93 - 28 - 1966/1.8=3, 3.0/1953=2...(15) HB2 TYR 70 - HG2 LYS 31 lone 8 90 - 9 - HB3 HIS 15 - HG2 LYS 31 lone 2 100 - 2 - Peak 1957 from cnoeabs.peaks (2.97, 1.41, 24.47 ppm; 4.03 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.6=100 HE2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.6=100 HE2 LYS 91 + HG2 LYS 31 OK 48 100 - 49 - 1967/1.8=5, 1992=5...(25) HE3 LYS 91 + HG2 LYS 31 OK 48 100 - 49 - 1967/1.8=5, 1992=5...(25) HD3 ARG 45 - HG2 LYS 31 OK 26 92 - 28 - 1966/1.8=3, 3.0/1953=2...(15) HD2 ARG 45 - HG2 LYS 31 OK 26 92 - 28 - 1966/1.8=3, 3.0/1953=2...(15) HB2 TYR 70 - HG2 LYS 31 lone 8 92 - 9 - HB3 HIS 15 - HG2 LYS 31 lone 2 100 - 2 - Peak 1958 from cnoeabs.peaks (8.49, 1.30, 24.47 ppm; 4.22 A): 2 out of 2 assignments used, quality = 0.98: * H LYS 31 + HG3 LYS 31 OK 95 100 - 95 - 4.6=77, 1928/3.0=24...(15) H THR 38 + HG3 LYS 31 OK 58 93 - 63 - 1948/1.8=14, 1928/3.0=13...(14) Peak 1959 from cnoeabs.peaks (4.60, 1.30, 24.47 ppm; 3.84 A): 3 out of 9 assignments used, quality = 1.00: * HA LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 3.7=100 HA ARG 27 + HG3 LYS 31 OK 54 83 - 65 - 1949/1.8=9, 1929/3.0=8...(26) HA THR 38 + HG3 LYS 31 OK 48 92 - 53 - 3.0/1958=10, 1949/1.8=8...(16) HA ASP 43 - HG3 LYS 31 lone 8 99 - 8 - 3.6/706=2, 1949/1.8=1 HA LEU 12 - HG3 LYS 31 lone 6 97 - 6 - HA ASN 24 - HG3 LYS 31 lone 4 57 - 7 - HA ASP 82 - HG3 LYS 31 lone 3 83 - 4 - HA HIS 10 - HG3 LYS 31 lone 3 92 - 3 - HA ASN 63 - HG3 LYS 31 lone 3 71 - 4 - Peak 1960 from cnoeabs.peaks (1.79, 1.30, 24.47 ppm; 3.38 A): 2 out of 17 assignments used, quality = 1.00: * HB2 LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 3.0=100 HB2 ARG 27 + HG3 LYS 31 OK 66 97 - 68 - 1770/1.8=7, 2.9/1962=7...(41) HB2 LYS 91 - HG3 LYS 31 OK 23 99 - 24 - 3710/3.0=3, 1950/1.8=2...(9) HB2 LYS 44 - HG3 LYS 31 OK 21 63 - 33 - 3.7/1962=4, 1.8/2273=4...(14) HD3 LYS 78 - HG3 LYS 31 OK 19 100 - 19 - 3351/3.0=3, 1950/1.8=2...(7) HG2 GLU 51 - HG3 LYS 31 OK 18 81 - 22 - 3.9/5059=2, 3.0/5066=2...(6) HG3 GLU 51 - HG3 LYS 31 OK 17 78 - 22 - 3.9/5059=2, 3.0/5066=2...(5) HB3 GLU 33 - HG3 LYS 31 OK 17 63 - 27 - 3.0/6034=7, 4.1/4646=3...(8) HB2 ARG 28 - HG3 LYS 31 OK 15 100 - 15 - 1950/1.8=2 HB3 ARG 28 - HG3 LYS 31 OK 12 83 - 14 - 1950/1.8=1, ~1950=1 HG3 GLU 37 - HG3 LYS 31 lone 10 100 - 10 - 3935/4.6=2 HB2 MET 48 - HG3 LYS 31 lone 8 99 - 8 - 3935/4.6=1, 134/3901=1 QB ALA 74 - HG3 LYS 31 lone 8 97 - 8 - 4.4/6034=2 HB2 GLU 37 - HG3 LYS 31 poor 7 60 - 12 - 4.4/1958=5, 3932/4.6=1 HG LEU 76 - HG3 LYS 31 lone 4 81 - 5 - HB2 LYS 65 - HG3 LYS 31 lone 4 100 - 4 - QE MET 11 - HG3 LYS 31 lone 2 87 - 3 - Peak 1961 from cnoeabs.peaks (1.70, 1.30, 24.47 ppm; 3.12 A): 4 out of 11 assignments used, quality = 1.00: * HB3 LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 3.0=100 HD3 LYS 31 + HG3 LYS 31 OK 65 65 - 100 - 3.0=100 HD2 LYS 31 + HG3 LYS 31 OK 60 60 - 100 - 3.0=100 HB3 ARG 27 + HG3 LYS 31 OK 57 100 - 57 - 2.9/1962=6, 1.8/1960=6...(27) HB2 LEU 30 - HG3 LYS 31 OK 32 98 - 32 - 3892/4.6=7, ~4600=4...(10) HB3 GLU 51 - HG3 LYS 31 OK 16 89 - 18 - 3.0/5059=2, 3.9/218=2...(8) HG2 LYS 78 - HG3 LYS 31 OK 16 100 - 16 - 3324/3.0=2, 1951/1.8=1...(4) HB3 LYS 91 - HG3 LYS 31 OK 14 95 - 15 - 3719/3.0=2, 1.8/1960=2...(7) HB3 LYS 17 - HG3 LYS 31 poor 9 83 - 10 - HB2 LYS 17 - HG3 LYS 31 poor 9 81 - 10 - HB3 LEU 73 - HG3 LYS 31 lone 3 60 - 4 - Peak 1962 from cnoeabs.peaks (1.41, 1.30, 24.47 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * HG2 LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 1.8=100 HG2 ARG 27 - HG3 LYS 31 OK 34 97 - 35 - 1932/3.0=3, ~1794=2...(18) HD2 LYS 44 - HG3 LYS 31 OK 27 95 - 29 - 2303=4, ~1953=2...(15) HD3 LYS 56 - HG3 LYS 31 OK 13 92 - 14 - 1932/3.0=1, 2674=1 HB3 LEU 34 - HG3 LYS 31 lone 5 93 - 5 - QB ALA 69 - HG3 LYS 31 lone 1 76 - 2 - Peak 1963 from cnoeabs.peaks (1.30, 1.30, 24.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 31 + HG3 LYS 31 OK 100 100 - 100 Peak 1964 from cnoeabs.peaks (1.67, 1.30, 24.47 ppm; 2.95 A): 3 out of 12 assignments used, quality = 1.00: * HD2 LYS 31 + HG3 LYS 31 OK 99 100 - 99 - 3.0=99 HD3 LYS 31 + HG3 LYS 31 OK 99 100 - 99 - 3.0=99 HB3 LYS 31 + HG3 LYS 31 OK 59 60 - 98 - 3.0=97, 4.1/3901=10...(12) HB3 ARG 27 - HG3 LYS 31 OK 32 65 - 50 - 2.9/1962=5, 1.8/1960=5...(26) HB2 LEU 30 - HG3 LYS 31 OK 23 83 - 27 - 4.6/1958=6, ~4600=3...(9) HB3 GLU 51 - HG3 LYS 31 OK 16 96 - 17 - 3.0/5059=2, 3.9/218=2...(6) HB3 LYS 91 - HG3 LYS 31 OK 12 90 - 13 - 1.8/1960=2, 3719/3.0=2...(6) HG3 ARG 28 - HG3 LYS 31 OK 12 98 - 12 - 1954/1.8=1 HG2 ARG 28 - HG3 LYS 31 OK 11 97 - 12 - 1954/1.8=1 HB3 LEU 73 - HG3 LYS 31 lone 5 100 - 5 - HB3 LYS 14 - HG3 LYS 31 lone 1 71 - 1 - HB2 LYS 14 - HG3 LYS 31 lone 1 71 - 1 - Peak 1965 from cnoeabs.peaks (1.67, 1.30, 24.47 ppm; 2.95 A): 3 out of 13 assignments used, quality = 1.00: * HD3 LYS 31 + HG3 LYS 31 OK 99 100 - 99 - 3.0=99 HD2 LYS 31 + HG3 LYS 31 OK 99 100 - 99 - 3.0=99 HB3 LYS 31 + HG3 LYS 31 OK 64 65 - 98 - 3.0=97, 4.1/3901=10...(12) HB3 ARG 27 - HG3 LYS 31 OK 35 71 - 50 - 2.9/1962=5, 1.8/1960=5...(26) HB2 LEU 30 - HG3 LYS 31 OK 24 87 - 27 - 4.6/1958=6, ~4600=3...(9) HB3 GLU 51 - HG3 LYS 31 OK 16 97 - 17 - 3.0/5059=2, 3.9/218=2...(6) HB3 LYS 91 - HG3 LYS 31 OK 12 93 - 13 - 3719/3.0=2, 1.8/1960=2...(6) HG3 ARG 28 - HG3 LYS 31 OK 11 97 - 12 - 1954/1.8=1 HG2 ARG 28 - HG3 LYS 31 OK 11 95 - 12 - 1954/1.8=1 HG2 LYS 78 - HG3 LYS 31 poor 8 63 - 12 - 2.9/1960=1, 3324/3.0=1, ~3331=1 HB3 LEU 73 - HG3 LYS 31 lone 5 100 - 5 - HB3 LYS 14 - HG3 LYS 31 lone 1 65 - 1 - HB2 LYS 14 - HG3 LYS 31 lone 1 65 - 1 - Peak 1966 from cnoeabs.peaks (2.97, 1.30, 24.47 ppm; 3.93 A): 4 out of 8 assignments used, quality = 1.00: * HE2 LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 3.6=100 HE3 LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 3.6=100 HE2 LYS 91 + HG3 LYS 31 OK 46 100 - 47 - 1957/1.8=5, 1993=4...(21) HE3 LYS 91 + HG3 LYS 31 OK 46 100 - 47 - 1957/1.8=5, 1993=4...(21) HD3 ARG 45 - HG3 LYS 31 OK 26 93 - 27 - 1956/1.8=3, 3.0/2340=2...(15) HD2 ARG 45 - HG3 LYS 31 OK 26 93 - 27 - 1956/1.8=3, 3.0/2340=2...(15) HB2 TYR 70 - HG3 LYS 31 lone 8 90 - 8 - HB3 HIS 15 - HG3 LYS 31 lone 2 100 - 2 - Peak 1967 from cnoeabs.peaks (2.97, 1.30, 24.47 ppm; 3.93 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 3.6=100 HE2 LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 3.6=100 HE2 LYS 91 + HG3 LYS 31 OK 46 100 - 47 - 1957/1.8=5, 1993=4...(21) HE3 LYS 91 + HG3 LYS 31 OK 46 100 - 47 - 1957/1.8=5, 1993=4...(21) HD3 ARG 45 - HG3 LYS 31 OK 25 92 - 27 - 1956/1.8=3, 3.0/2340=2...(15) HD2 ARG 45 - HG3 LYS 31 OK 25 92 - 27 - 1956/1.8=3, 3.0/2340=2...(15) HB2 TYR 70 - HG3 LYS 31 lone 8 92 - 8 - HB3 HIS 15 - HG3 LYS 31 lone 2 100 - 2 - Peak 1969 from cnoeabs.peaks (4.60, 1.67, 28.92 ppm; 4.17 A): 4 out of 18 assignments used, quality = 1.00: * HA LYS 31 + HD2 LYS 31 OK 92 100 - 92 - 4.9=60, 3.6/3903=12...(31) HA LYS 31 + HD3 LYS 31 OK 91 100 - 91 - 4.9=60, 3.6/3903=12...(31) HA ARG 27 + HD2 LYS 31 OK 52 83 - 63 - 1949/3.0=8, 1959/3.0=8...(29) HA ARG 27 + HD3 LYS 31 OK 52 83 - 63 - 1949/3.0=8, 1959/3.0=8...(30) HA THR 38 - HD2 LYS 31 OK 44 92 - 48 - 1959/3.0=7, 1949/3.0=7...(14) HA THR 38 - HD3 LYS 31 OK 44 92 - 48 - 1959/3.0=7, 1949/3.0=7...(14) HA ASP 43 - HD2 LYS 31 lone 6 99 - 6 - 1949/3.0=1, 1959/3.0=1 HA ASP 43 - HD3 LYS 31 lone 6 99 - 6 - 1949/3.0=1, 1959/3.0=1 HA LEU 12 - HD3 LYS 31 lone 6 97 - 6 - HA LEU 12 - HD2 LYS 31 lone 6 97 - 6 - HA ASN 24 - HD3 LYS 31 lone 4 57 - 8 - HA ASN 24 - HD2 LYS 31 lone 4 57 - 8 - HA HIS 10 - HD3 LYS 31 lone 3 92 - 3 - HA HIS 10 - HD2 LYS 31 lone 3 92 - 3 - HA ASP 82 - HD3 LYS 31 lone 3 83 - 4 - HA ASP 82 - HD2 LYS 31 lone 3 83 - 4 - HA ASN 63 - HD2 LYS 31 lone 2 71 - 3 - HA ASN 63 - HD3 LYS 31 lone 2 71 - 3 - Peak 1970 from cnoeabs.peaks (1.79, 1.67, 28.92 ppm; 6.20 A): 6 out of 34 assignments used, quality = 1.00: * HB2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.6=100 HB2 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.6=100 HB2 ARG 27 + HD2 LYS 31 OK 88 97 - 91 - 1770/3.0=13, ~1778=11...(47) HB2 ARG 27 + HD3 LYS 31 OK 88 96 - 91 - 1770/3.0=13, ~1778=11...(47) HB2 LYS 91 + HD3 LYS 31 OK 46 99 - 46 - 3710/3.6=4, 1950/3.0=3...(24) HB2 LYS 91 + HD2 LYS 31 OK 46 99 - 46 - 3710/3.6=4, 1950/3.0=3...(24) HB2 ARG 28 - HD3 LYS 31 OK 39 100 - 39 - 4.0/626=3, 1950/3.0=3...(19) HB2 ARG 28 - HD2 LYS 31 OK 39 100 - 39 - 4.0/625=3, 1950/3.0=3...(19) HG2 GLU 51 - HD3 LYS 31 OK 37 80 - 46 - ~5066=4, 4.9/735=4...(25) HG2 GLU 51 - HD2 LYS 31 OK 37 81 - 46 - ~5066=4, 4.9/735=4...(25) HG3 GLU 51 - HD3 LYS 31 OK 36 78 - 46 - ~5066=4, 4.9/735=4...(25) HG3 GLU 51 - HD2 LYS 31 OK 36 78 - 46 - ~5066=4, 4.9/735=4...(25) HB3 GLU 33 - HD2 LYS 31 OK 32 63 - 51 - ~6034=16, ~4664=7...(12) HB3 GLU 33 - HD3 LYS 31 OK 32 63 - 51 - ~6034=16, ~4664=7...(12) HB3 ARG 28 - HD2 LYS 31 OK 32 83 - 38 - 4.0/625=3, ~1950=2...(17) HB3 ARG 28 - HD3 LYS 31 OK 31 83 - 38 - 4.0/626=3, ~1950=2...(17) HB2 LYS 44 - HD2 LYS 31 OK 29 63 - 47 - ~2272=6, ~2273=5...(17) HB2 LYS 44 - HD3 LYS 31 OK 29 63 - 47 - ~2272=6, ~2273=5...(17) HD3 LYS 78 - HD3 LYS 31 OK 27 100 - 27 - 3351/3.6=5, 1950/3.0=3...(7) HD3 LYS 78 - HD2 LYS 31 OK 27 100 - 27 - 3351/3.6=5, 1950/3.0=3...(9) HG3 GLU 37 - HD3 LYS 31 OK 20 100 - 20 - 3935/5.8=7, 1920/4.9=2...(5) HG3 GLU 37 - HD2 LYS 31 OK 20 100 - 20 - 3935/5.8=7, 1920/4.9=2...(5) QB ALA 74 - HD3 LYS 31 OK 16 96 - 17 - 3.4/5750=2, ~5750=2...(6) QB ALA 74 - HD2 LYS 31 OK 16 97 - 17 - 3.4/5750=2, ~5750=2...(6) HB2 MET 48 - HD3 LYS 31 OK 14 99 - 14 - 3935/5.8=3, 134/3903=1...(6) HB2 MET 48 - HD2 LYS 31 OK 14 99 - 14 - 3935/5.8=3, 134/3903=1...(6) HB2 GLU 37 - HD2 LYS 31 OK 12 60 - 20 - 4.4/1978=7, 3932/5.8=4...(7) HB2 GLU 37 - HD3 LYS 31 OK 12 60 - 20 - 4.4/1978=7, 3932/5.8=4...(7) HB2 LYS 65 - HD3 LYS 31 lone 8 100 - 8 - HB2 LYS 65 - HD2 LYS 31 lone 8 100 - 8 - QE MET 11 - HD2 LYS 31 lone 7 87 - 8 - QE MET 11 - HD3 LYS 31 lone 7 87 - 8 - HG LEU 76 - HD3 LYS 31 lone 6 80 - 8 - HG LEU 76 - HD2 LYS 31 lone 6 81 - 8 - Peak 1971 from cnoeabs.peaks (1.70, 1.67, 28.92 ppm; diagonal): 2 out of 2 assignments used, quality = 0.86: HD3 LYS 31 + HD3 LYS 31 OK 65 65 - 100 HD2 LYS 31 + HD2 LYS 31 OK 60 60 - 100 Reference assignment not found: HB3 LYS 31 - HD2 LYS 31 Peak 1972 from cnoeabs.peaks (1.41, 1.67, 28.92 ppm; 3.09 A): 2 out of 12 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 HG2 ARG 27 - HD2 LYS 31 OK 43 97 - 44 - 1962/3.0=6, 1932/3.6=5...(24) HG2 ARG 27 - HD3 LYS 31 OK 43 97 - 44 - 1962/3.0=6, 1932/3.6=5...(24) HD2 LYS 44 - HD2 LYS 31 OK 30 95 - 31 - 1962/3.0=5, 4802/5.8=3...(12) HD2 LYS 44 - HD3 LYS 31 OK 30 94 - 32 - 1962/3.0=5, 4802/5.8=3...(12) HD3 LYS 56 - HD2 LYS 31 OK 17 92 - 18 - 1962/3.0=2, 1932/3.6=2...(5) HD3 LYS 56 - HD3 LYS 31 OK 17 92 - 18 - 1962/3.0=2, 1932/3.6=2...(5) HB3 LEU 34 - HD3 LYS 31 lone 6 93 - 6 - HB3 LEU 34 - HD2 LYS 31 lone 6 93 - 6 - QB ALA 69 - HD2 LYS 31 lone 2 76 - 2 - QB ALA 69 - HD3 LYS 31 lone 2 76 - 2 - Peak 1973 from cnoeabs.peaks (1.30, 1.67, 28.92 ppm; 3.13 A): 2 out of 18 assignments used, quality = 1.00: * HG3 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 HG3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.0=100 HD3 LYS 44 - HD2 LYS 31 OK 30 98 - 31 - 1953/3.0=5, 1933/3.6=3...(13) HD3 LYS 44 - HD3 LYS 31 OK 30 98 - 31 - 1953/3.0=5, 1933/3.6=3...(13) HG3 LYS 56 - HD2 LYS 31 OK 15 83 - 18 - 1953/3.0=2, 1.8/5215=2...(5) HG3 LYS 56 - HD3 LYS 31 OK 15 83 - 18 - 1953/3.0=2, 1.8/5215=2...(5) HB VAL 50 - HD2 LYS 31 OK 13 71 - 18 - 2.1/5019=3, 1933/3.6=2...(10) HB VAL 50 - HD3 LYS 31 OK 13 71 - 18 - 2.1/5019=3, 1933/3.6=2...(10) HG3 ARG 45 - HD2 LYS 31 OK 12 87 - 14 - 1953/3.0=1, 1933/3.6=1 HG3 ARG 45 - HD3 LYS 31 OK 12 87 - 14 - 1953/3.0=1, 1933/3.6=1 HB2 LYS 26 - HD3 LYS 31 OK 11 98 - 11 - 1933/3.6=1, 1953/3.0=1 HB2 LYS 26 - HD2 LYS 31 OK 11 98 - 11 - 1933/3.6=1, 1953/3.0=1 QB ALA 60 - HD2 LYS 31 lone 7 97 - 7 - 5367/3.0=2, 5367/3.0=1 QB ALA 60 - HD3 LYS 31 lone 7 97 - 7 - 5367/3.0=2, 5367/3.0=1 HB3 LYS 68 - HD3 LYS 31 lone 6 99 - 6 - HB3 LYS 68 - HD2 LYS 31 lone 6 99 - 6 - HG3 LYS 17 - HD2 LYS 31 lone 3 60 - 4 - HG3 LYS 17 - HD3 LYS 31 lone 3 60 - 4 - Peak 1974 from cnoeabs.peaks (1.67, 1.67, 28.92 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 Peak 1975 from cnoeabs.peaks (1.67, 1.67, 28.92 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 1976 from cnoeabs.peaks (2.97, 1.67, 28.92 ppm; 3.03 A): 4 out of 16 assignments used, quality = 1.00: * HE2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.0=100 HE2 LYS 91 - HD3 LYS 31 OK 28 100 - 28 - 1967/3.0=2, 1957/3.0=2...(15) HE3 LYS 91 - HD3 LYS 31 OK 28 100 - 28 - 1967/3.0=2, 1957/3.0=2...(15) HE2 LYS 91 - HD2 LYS 31 OK 28 100 - 28 - 1967/3.0=2, 1957/3.0=2...(15) HE3 LYS 91 - HD2 LYS 31 OK 28 100 - 28 - 1967/3.0=2, 1957/3.0=2...(15) HD3 ARG 45 - HD2 LYS 31 OK 12 93 - 13 - 1966/3.0=1, 1956/3.0=1 HD2 ARG 45 - HD2 LYS 31 OK 12 93 - 13 - 1966/3.0=1, 1956/3.0=1 HD3 ARG 45 - HD3 LYS 31 OK 12 93 - 13 - 1966/3.0=1, 1956/3.0=1 HD2 ARG 45 - HD3 LYS 31 OK 12 93 - 13 - 1966/3.0=1, 1956/3.0=1 HB2 TYR 70 - HD2 LYS 31 lone 6 90 - 7 - HB2 TYR 70 - HD3 LYS 31 lone 6 90 - 7 - HB3 HIS 15 - HD2 LYS 31 lone 1 100 - 1 - HB3 HIS 15 - HD3 LYS 31 lone 1 100 - 1 - Peak 1977 from cnoeabs.peaks (2.97, 1.67, 28.92 ppm; 3.03 A): 4 out of 16 assignments used, quality = 1.00: * HE3 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 HE2 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 + HD3 LYS 31 OK 100 100 - 100 - 3.0=100 HE2 LYS 91 - HD3 LYS 31 OK 28 100 - 28 - 1967/3.0=2, 1957/3.0=2...(15) HE3 LYS 91 - HD3 LYS 31 OK 28 100 - 28 - 1967/3.0=2, 1957/3.0=2...(15) HE2 LYS 91 - HD2 LYS 31 OK 28 100 - 28 - 1967/3.0=2, 1957/3.0=2...(15) HE3 LYS 91 - HD2 LYS 31 OK 28 100 - 28 - 1967/3.0=2, 1957/3.0=2...(15) HD3 ARG 45 - HD2 LYS 31 OK 12 92 - 13 - 1966/3.0=1, 1956/3.0=1 HD2 ARG 45 - HD2 LYS 31 OK 12 92 - 13 - 1966/3.0=1, 1956/3.0=1 HD3 ARG 45 - HD3 LYS 31 OK 12 92 - 13 - 1966/3.0=1, 1956/3.0=1 HD2 ARG 45 - HD3 LYS 31 OK 12 92 - 13 - 1966/3.0=1, 1956/3.0=1 HB2 TYR 70 - HD2 LYS 31 lone 7 92 - 7 - HB2 TYR 70 - HD3 LYS 31 lone 6 92 - 7 - HB3 HIS 15 - HD2 LYS 31 lone 1 100 - 1 - HB3 HIS 15 - HD3 LYS 31 lone 1 100 - 1 - Peak 1978 from cnoeabs.peaks (8.49, 1.67, 28.92 ppm; 4.90 A): 4 out of 4 assignments used, quality = 1.00: * H LYS 31 + HD3 LYS 31 OK 95 100 - 95 - 5.8=61, 1928/3.6=27...(27) H LYS 31 + HD2 LYS 31 OK 95 100 - 95 - 5.8=61, 1928/3.6=27...(27) H THR 38 + HD3 LYS 31 OK 59 93 - 63 - 1948/3.0=15, 1958/3.0=15...(13) H THR 38 + HD2 LYS 31 OK 59 93 - 63 - 1948/3.0=15, 1958/3.0=15...(13) Peak 1979 from cnoeabs.peaks (4.60, 1.67, 28.92 ppm; 4.17 A): 4 out of 18 assignments used, quality = 1.00: HA LYS 31 + HD2 LYS 31 OK 92 100 - 92 - 4.9=60, 3.6/3903=12...(31) * HA LYS 31 + HD3 LYS 31 OK 91 100 - 91 - 4.9=60, 3.6/3903=12...(31) HA ARG 27 + HD3 LYS 31 OK 52 83 - 63 - 1949/3.0=8, 1959/3.0=8...(30) HA ARG 27 + HD2 LYS 31 OK 52 83 - 63 - 1949/3.0=8, 1959/3.0=8...(30) HA THR 38 - HD3 LYS 31 OK 44 92 - 48 - 1959/3.0=7, 1949/3.0=7...(14) HA THR 38 - HD2 LYS 31 OK 44 92 - 48 - 1959/3.0=7, 1949/3.0=7...(14) HA ASP 43 - HD3 LYS 31 lone 6 99 - 6 - 1949/3.0=1, 1959/3.0=1 HA ASP 43 - HD2 LYS 31 lone 6 99 - 6 - 1949/3.0=1, 1959/3.0=1 HA LEU 12 - HD3 LYS 31 lone 6 97 - 6 - HA LEU 12 - HD2 LYS 31 lone 6 97 - 6 - HA ASN 24 - HD3 LYS 31 lone 5 57 - 8 - HA ASN 24 - HD2 LYS 31 lone 4 57 - 8 - HA HIS 10 - HD3 LYS 31 lone 3 92 - 3 - HA HIS 10 - HD2 LYS 31 lone 3 92 - 3 - HA ASP 82 - HD3 LYS 31 lone 3 83 - 4 - HA ASP 82 - HD2 LYS 31 lone 3 83 - 4 - HA ASN 63 - HD3 LYS 31 lone 2 71 - 3 - HA ASN 63 - HD2 LYS 31 lone 2 71 - 3 - Peak 1980 from cnoeabs.peaks (1.79, 1.67, 28.92 ppm; 6.20 A): 6 out of 34 assignments used, quality = 1.00: * HB2 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.6=100 HB2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.6=100 HB2 ARG 27 + HD3 LYS 31 OK 88 97 - 92 - 1770/3.0=13, ~1778=11...(47) HB2 ARG 27 + HD2 LYS 31 OK 88 96 - 92 - 1770/3.0=13, ~1778=11...(47) HB2 LYS 91 + HD3 LYS 31 OK 46 99 - 47 - 3710/3.6=4, 1950/3.0=3...(24) HB2 LYS 91 + HD2 LYS 31 OK 46 99 - 46 - 3710/3.6=4, 1950/3.0=3...(24) HB2 ARG 28 - HD3 LYS 31 OK 39 100 - 39 - 4.0/626=3, 1950/3.0=3...(19) HB2 ARG 28 - HD2 LYS 31 OK 39 100 - 39 - 4.0/626=3, 1950/3.0=3...(19) HG2 GLU 51 - HD3 LYS 31 OK 37 81 - 46 - ~5066=4, 4.9/735=4...(25) HG2 GLU 51 - HD2 LYS 31 OK 37 80 - 46 - ~5066=4, 4.9/735=4...(25) HG3 GLU 51 - HD3 LYS 31 OK 36 78 - 46 - ~5066=4, 4.9/735=4...(25) HG3 GLU 51 - HD2 LYS 31 OK 36 78 - 46 - ~5066=4, 4.9/735=4...(25) HB3 GLU 33 - HD3 LYS 31 OK 32 63 - 51 - ~6034=16, ~4664=7...(12) HB3 GLU 33 - HD2 LYS 31 OK 32 63 - 51 - ~6034=16, ~4664=7...(12) HB3 ARG 28 - HD3 LYS 31 OK 32 83 - 38 - 4.0/626=3, ~1950=2...(17) HB3 ARG 28 - HD2 LYS 31 OK 31 83 - 38 - 4.0/626=3, ~1950=2...(17) HB2 LYS 44 - HD3 LYS 31 OK 29 63 - 47 - ~2272=6, ~2273=5...(17) HB2 LYS 44 - HD2 LYS 31 OK 29 63 - 47 - ~2272=6, ~2273=5...(17) HD3 LYS 78 - HD3 LYS 31 OK 28 100 - 28 - 3351/3.6=5, 1950/3.0=3...(7) HD3 LYS 78 - HD2 LYS 31 OK 27 100 - 27 - 3351/3.6=5, 1950/3.0=3...(9) HG3 GLU 37 - HD3 LYS 31 OK 20 100 - 20 - 3935/5.8=7, 1920/4.9=2...(5) HG3 GLU 37 - HD2 LYS 31 OK 20 100 - 20 - 3935/5.8=7, 1920/4.9=2...(5) QB ALA 74 - HD3 LYS 31 OK 16 97 - 17 - 3.4/5750=2, ~5750=2...(6) QB ALA 74 - HD2 LYS 31 OK 16 96 - 17 - 3.4/5750=2, ~5750=2...(6) HB2 MET 48 - HD3 LYS 31 OK 14 99 - 14 - 3935/5.8=3, 134/3903=1...(6) HB2 MET 48 - HD2 LYS 31 OK 14 99 - 14 - 3935/5.8=3, 134/3903=1...(6) HB2 GLU 37 - HD3 LYS 31 OK 12 60 - 20 - 4.4/1978=7, 3932/5.8=4...(7) HB2 GLU 37 - HD2 LYS 31 OK 12 60 - 20 - 4.4/1978=7, 3932/5.8=4...(7) HB2 LYS 65 - HD3 LYS 31 lone 8 100 - 8 - HB2 LYS 65 - HD2 LYS 31 lone 8 100 - 8 - QE MET 11 - HD2 LYS 31 lone 7 87 - 8 - QE MET 11 - HD3 LYS 31 lone 7 87 - 8 - HG LEU 76 - HD3 LYS 31 lone 7 81 - 8 - HG LEU 76 - HD2 LYS 31 lone 6 80 - 8 - Peak 1981 from cnoeabs.peaks (1.70, 1.67, 28.92 ppm; diagonal): 2 out of 2 assignments used, quality = 0.86: HD3 LYS 31 + HD3 LYS 31 OK 65 65 - 100 HD2 LYS 31 + HD2 LYS 31 OK 60 60 - 100 Reference assignment not found: HB3 LYS 31 - HD3 LYS 31 Peak 1982 from cnoeabs.peaks (1.41, 1.67, 28.92 ppm; 3.09 A): 2 out of 12 assignments used, quality = 1.00: * HG2 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.0=100 HG2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 HG2 ARG 27 - HD3 LYS 31 OK 43 97 - 44 - 1962/3.0=6, 1932/3.6=5...(25) HG2 ARG 27 - HD2 LYS 31 OK 43 97 - 44 - 1962/3.0=6, 1932/3.6=5...(24) HD2 LYS 44 - HD3 LYS 31 OK 30 95 - 32 - 1962/3.0=5, 4802/5.8=3...(12) HD2 LYS 44 - HD2 LYS 31 OK 30 94 - 31 - 1962/3.0=5, 4802/5.8=3...(12) HD3 LYS 56 - HD3 LYS 31 OK 17 92 - 18 - 1962/3.0=2, 1932/3.6=2...(5) HD3 LYS 56 - HD2 LYS 31 OK 17 92 - 18 - 1962/3.0=2, 1932/3.6=2...(5) HB3 LEU 34 - HD3 LYS 31 lone 6 93 - 6 - HB3 LEU 34 - HD2 LYS 31 lone 6 93 - 6 - QB ALA 69 - HD2 LYS 31 lone 2 76 - 2 - QB ALA 69 - HD3 LYS 31 lone 2 76 - 2 - Peak 1983 from cnoeabs.peaks (1.30, 1.67, 28.92 ppm; 3.13 A): 2 out of 18 assignments used, quality = 1.00: * HG3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.0=100 HG3 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 HD3 LYS 44 - HD3 LYS 31 OK 30 98 - 31 - 1953/3.0=5, 1933/3.6=3...(13) HD3 LYS 44 - HD2 LYS 31 OK 30 98 - 31 - 1953/3.0=5, 1933/3.6=3...(13) HG3 LYS 56 - HD3 LYS 31 OK 15 83 - 18 - 1.8/5215=2, 1953/3.0=2...(5) HG3 LYS 56 - HD2 LYS 31 OK 15 83 - 18 - 1953/3.0=2, 1.8/5215=2...(5) HB VAL 50 - HD3 LYS 31 OK 13 71 - 18 - 2.1/5019=3, 1933/3.6=2...(10) HB VAL 50 - HD2 LYS 31 OK 13 71 - 18 - 2.1/5019=3, 1933/3.6=2...(10) HG3 ARG 45 - HD3 LYS 31 OK 12 87 - 14 - 1953/3.0=1, 1933/3.6=1 HG3 ARG 45 - HD2 LYS 31 OK 12 87 - 14 - 1953/3.0=1, 1933/3.6=1 HB2 LYS 26 - HD3 LYS 31 OK 11 98 - 11 - 1933/3.6=1, 1953/3.0=1 HB2 LYS 26 - HD2 LYS 31 OK 11 98 - 11 - 1933/3.6=1, 1953/3.0=1 QB ALA 60 - HD3 LYS 31 lone 7 97 - 7 - 5367/3.0=2, 5367/3.0=1 QB ALA 60 - HD2 LYS 31 lone 7 97 - 7 - 5367/3.0=2, 5367/3.0=1 HB3 LYS 68 - HD3 LYS 31 lone 6 99 - 6 - HB3 LYS 68 - HD2 LYS 31 lone 6 99 - 6 - HG3 LYS 17 - HD3 LYS 31 lone 3 60 - 4 - HG3 LYS 17 - HD2 LYS 31 lone 3 60 - 4 - Peak 1984 from cnoeabs.peaks (1.67, 1.67, 28.92 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 1985 from cnoeabs.peaks (1.67, 1.67, 28.92 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 1986 from cnoeabs.peaks (2.97, 1.67, 28.92 ppm; 3.03 A): 4 out of 16 assignments used, quality = 1.00: * HE2 LYS 31 + HD3 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 HE3 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 HE2 LYS 91 - HD3 LYS 31 OK 28 100 - 28 - 1967/3.0=2, 1957/3.0=2...(15) HE3 LYS 91 - HD3 LYS 31 OK 28 100 - 28 - 1967/3.0=2, 1957/3.0=2...(15) HE2 LYS 91 - HD2 LYS 31 OK 28 100 - 28 - 1967/3.0=2, 1957/3.0=2...(15) HE3 LYS 91 - HD2 LYS 31 OK 28 100 - 28 - 1967/3.0=2, 1957/3.0=2...(15) HD3 ARG 45 - HD3 LYS 31 OK 12 93 - 13 - 1966/3.0=1, 1956/3.0=1 HD2 ARG 45 - HD3 LYS 31 OK 12 93 - 13 - 1966/3.0=1, 1956/3.0=1 HD3 ARG 45 - HD2 LYS 31 OK 12 93 - 13 - 1966/3.0=1, 1956/3.0=1 HD2 ARG 45 - HD2 LYS 31 OK 12 93 - 13 - 1966/3.0=1, 1956/3.0=1 HB2 TYR 70 - HD2 LYS 31 lone 6 90 - 7 - HB2 TYR 70 - HD3 LYS 31 lone 6 90 - 7 - HB3 HIS 15 - HD2 LYS 31 lone 1 100 - 1 - HB3 HIS 15 - HD3 LYS 31 lone 1 100 - 1 - Peak 1987 from cnoeabs.peaks (2.97, 1.67, 28.92 ppm; 3.03 A): 4 out of 16 assignments used, quality = 1.00: * HE3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 - 3.0=100 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 HE2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 - 3.0=100 HE2 LYS 91 - HD3 LYS 31 OK 28 100 - 28 - 1967/3.0=2, 1957/3.0=2...(15) HE3 LYS 91 - HD3 LYS 31 OK 28 100 - 28 - 1967/3.0=2, 1957/3.0=2...(15) HE2 LYS 91 - HD2 LYS 31 OK 28 100 - 28 - 1967/3.0=2, 1957/3.0=2...(15) HE3 LYS 91 - HD2 LYS 31 OK 28 100 - 28 - 1967/3.0=2, 1957/3.0=2...(15) HD3 ARG 45 - HD3 LYS 31 OK 12 92 - 13 - 1966/3.0=1, 1956/3.0=1 HD2 ARG 45 - HD3 LYS 31 OK 12 92 - 13 - 1966/3.0=1, 1956/3.0=1 HD3 ARG 45 - HD2 LYS 31 OK 12 92 - 13 - 1966/3.0=1, 1956/3.0=1 HD2 ARG 45 - HD2 LYS 31 OK 12 92 - 13 - 1966/3.0=1, 1956/3.0=1 HB2 TYR 70 - HD2 LYS 31 lone 6 92 - 7 - HB2 TYR 70 - HD3 LYS 31 lone 6 92 - 7 - HB3 HIS 15 - HD2 LYS 31 lone 1 100 - 1 - HB3 HIS 15 - HD3 LYS 31 lone 1 100 - 1 - Peak 1989 from cnoeabs.peaks (4.60, 2.97, 41.78 ppm; 6.20 A): 8 out of 36 assignments used, quality = 1.00: * HA LYS 31 + HE2 LYS 31 OK 99 100 - 99 - 6.3=96, 1927/1.8=11...(27) HA LYS 31 + HE3 LYS 31 OK 99 100 - 99 - 6.3=96, 1927/1.8=11...(27) HA LYS 31 + HE2 LYS 91 OK 60 99 - 61 - 3.0/1937=7, 1927=7...(22) HA LYS 31 + HE3 LYS 91 OK 60 99 - 61 - 3.0/1937=7, 1927=7...(22) HA THR 38 + HE2 LYS 31 OK 49 92 - 54 - 1949/3.6=10, 1959/3.6=10...(10) HA THR 38 + HE3 LYS 31 OK 49 92 - 54 - 1949/3.6=10, 1959/3.6=10...(10) HA ARG 27 + HE2 LYS 31 OK 49 83 - 59 - 1949/3.6=11, 1959/3.6=11...(18) HA ARG 27 + HE3 LYS 31 OK 49 83 - 59 - 1949/3.6=11, 1959/3.6=11...(18) HA ARG 27 - HE3 LYS 91 OK 11 80 - 14 - 1761/5.0=1, 1760/5.0=1 HA ARG 27 - HE2 LYS 91 OK 11 80 - 14 - 1761/5.0=1, 1760/5.0=1 HA ASP 43 - HE2 LYS 31 OK 10 99 - 10 - 1949/3.6=2, 1959/3.6=2 HA ASP 43 - HE3 LYS 31 OK 10 99 - 10 - 1949/3.6=2, 1959/3.6=2 HA LEU 12 - HE2 LYS 31 lone 10 97 - 10 - 1949/3.6=1, 1959/3.6=1 HA LEU 12 - HE3 LYS 31 lone 10 97 - 10 - 1949/3.6=1, 1959/3.6=1 HA ASN 24 - HE2 LYS 91 poor 7 55 - 12 - 2.9/3767=2, ~3777=2...(4) HA ASN 24 - HE3 LYS 91 poor 7 55 - 12 - 2.9/3767=2, ~3777=2...(4) HA THR 38 - HE3 LYS 91 lone 7 90 - 8 - ~4788=1 HA THR 38 - HE2 LYS 91 lone 7 90 - 8 - ~4788=1 HA HIS 10 - HE2 LYS 31 lone 6 92 - 7 - HA HIS 10 - HE3 LYS 31 lone 6 92 - 7 - HA ASN 24 - HE2 LYS 31 poor 6 57 - 11 - HA ASN 24 - HE3 LYS 31 poor 6 57 - 11 - HA ASP 82 - HE2 LYS 31 lone 6 83 - 7 - HA ASP 82 - HE3 LYS 31 lone 6 83 - 7 - HA LEU 12 - HE2 LYS 91 lone 5 95 - 5 - HA LEU 12 - HE3 LYS 91 lone 5 95 - 5 - HA ASN 63 - HE2 LYS 31 lone 4 71 - 6 - HA ASN 63 - HE3 LYS 31 lone 4 71 - 6 - HA ASP 43 - HE2 LYS 91 lone 3 97 - 3 - HA ASP 43 - HE3 LYS 91 lone 3 97 - 3 - HA HIS 10 - HE2 LYS 91 lone 3 90 - 3 - HA HIS 10 - HE3 LYS 91 lone 3 90 - 3 - HA ASP 82 - HE2 LYS 91 lone 3 80 - 3 - HA ASP 82 - HE3 LYS 91 lone 3 80 - 3 - HA ASN 63 - HE3 LYS 91 lone 2 68 - 3 - HA ASN 63 - HE2 LYS 91 lone 2 68 - 3 - Peak 1990 from cnoeabs.peaks (1.79, 2.97, 41.78 ppm; 4.45 A): 8 out of 68 assignments used, quality = 1.00: * HB2 LYS 31 + HE2 LYS 31 OK 89 100 - 89 - 5.3=59, 1934/3.0=10...(29) HB2 LYS 31 + HE3 LYS 31 OK 89 100 - 89 - 5.3=59, 1934/3.0=10...(29) HB2 LYS 91 + HE2 LYS 91 OK 85 98 - 87 - 5.0=69, 3714/3.0=12...(17) HB2 LYS 91 + HE3 LYS 91 OK 85 98 - 87 - 5.0=69, 3714/3.0=12...(17) HB2 LYS 31 + HE3 LYS 91 OK 59 99 - 60 - 1937=6, 1937/1.8=5...(33) HB2 LYS 31 + HE2 LYS 91 OK 59 99 - 60 - 1937=6, 1937/1.8=5...(33) HB2 ARG 27 + HE2 LYS 31 OK 47 97 - 49 - 1770/3.6=8, 1960/3.6=7...(25) HB2 ARG 27 + HE3 LYS 31 OK 47 97 - 49 - 1770/3.6=8, 1960/3.6=7...(25) HB2 ARG 28 - HE2 LYS 91 OK 22 99 - 23 - 3.0/4564=3, 3.0/4564=3...(8) HB2 ARG 28 - HE3 LYS 91 OK 22 99 - 23 - 3.0/4564=3, 3.0/4564=3...(8) HB2 LYS 91 - HE2 LYS 31 OK 21 99 - 21 - 3710/3.0=2, 1960/3.6=2...(8) HB2 LYS 91 - HE3 LYS 31 OK 21 99 - 21 - 3710/3.0=2, 1960/3.6=2...(8) HB2 ARG 28 - HE3 LYS 31 OK 19 100 - 19 - 3.0/4564=2, 3.0/4564=2...(5) HB2 ARG 28 - HE2 LYS 31 OK 19 100 - 19 - 3.0/4564=2, 3.0/4564=2...(5) HB3 ARG 28 - HE3 LYS 91 OK 17 80 - 21 - 3.0/4564=3, 3.0/4564=3...(4) HB3 ARG 28 - HE2 LYS 91 OK 17 80 - 21 - 3.0/4564=3, 3.0/4564=3...(4) HB3 ARG 28 - HE3 LYS 31 OK 15 83 - 18 - 3.0/4564=2, 3.0/4564=2...(5) HB3 ARG 28 - HE2 LYS 31 OK 15 83 - 18 - 3.0/4564=2, 3.0/4564=2...(5) HD3 LYS 78 - HE3 LYS 31 OK 13 100 - 13 - 3351/5.3=3, 1960/3.6=2...(4) HD3 LYS 78 - HE2 LYS 31 OK 13 100 - 13 - 3351/5.3=3, 1960/3.6=2...(4) HG2 GLU 51 - HE2 LYS 31 OK 11 81 - 14 - 1960/3.6=2, 1950/3.6=2...(5) HG2 GLU 51 - HE3 LYS 31 OK 11 81 - 14 - 1960/3.6=2, 1950/3.6=2...(5) HB2 ARG 27 - HE3 LYS 91 OK 11 95 - 11 - 3719/5.0=1 HB2 ARG 27 - HE2 LYS 91 OK 11 95 - 11 - 3719/5.0=1 HG3 GLU 51 - HE2 LYS 31 OK 11 78 - 14 - 1960/3.6=2, 1950/3.6=2...(5) HG3 GLU 51 - HE3 LYS 31 OK 11 78 - 14 - 1960/3.6=2, 1950/3.6=2...(5) HG3 GLU 37 - HE3 LYS 31 lone 8 100 - 8 - 3935/7.0=3, 1960/3.6=1 HG3 GLU 37 - HE2 LYS 31 lone 8 100 - 8 - 3935/7.0=3, 1960/3.6=1 HD3 LYS 78 - HE2 LYS 91 lone 7 99 - 7 - 3351/5.0=2 HD3 LYS 78 - HE3 LYS 91 lone 7 99 - 7 - 3351/5.0=2 HB2 LYS 44 - HE2 LYS 31 poor 7 63 - 12 - 1950/3.6=2, 1960/3.6=2...(4) HB2 LYS 44 - HE3 LYS 31 poor 7 63 - 12 - 1950/3.6=2, 1960/3.6=2...(4) HG2 GLU 51 - HE3 LYS 91 lone 7 78 - 9 - 3719/5.0=1 HG2 GLU 51 - HE2 LYS 91 lone 7 78 - 9 - 3719/5.0=1 HG3 GLU 51 - HE3 LYS 91 lone 7 76 - 9 - 3719/5.0=1 HG3 GLU 51 - HE2 LYS 91 lone 7 76 - 9 - 3719/5.0=1 HB3 GLU 33 - HE2 LYS 31 lone 6 63 - 9 - ~4666=3, 1960/3.6=2, 1950/3.6=2 HB3 GLU 33 - HE3 LYS 31 lone 6 63 - 9 - ~4666=3, 1960/3.6=2, 1950/3.6=2 QB ALA 74 - HE3 LYS 31 lone 6 97 - 6 - QB ALA 74 - HE2 LYS 31 lone 6 97 - 6 - HB2 MET 48 - HE3 LYS 31 lone 5 99 - 5 - 3935/7.0=1 HB2 MET 48 - HE2 LYS 31 lone 5 99 - 5 - 3935/7.0=1 HB2 MET 48 - HE3 LYS 91 lone 5 98 - 5 - HB2 MET 48 - HE2 LYS 91 lone 5 98 - 5 - HB2 LYS 44 - HE3 LYS 91 lone 5 60 - 7 - HB2 LYS 44 - HE2 LYS 91 lone 5 60 - 7 - QB ALA 74 - HE3 LYS 91 lone 4 95 - 4 - QB ALA 74 - HE2 LYS 91 lone 4 95 - 4 - QE MET 11 - HE3 LYS 31 lone 4 87 - 4 - QE MET 11 - HE2 LYS 31 lone 4 87 - 4 - HB2 GLU 37 - HE2 LYS 31 lone 4 60 - 6 - 3932/7.0=2 HB2 GLU 37 - HE3 LYS 31 lone 3 60 - 6 - 3932/7.0=2 HB2 LYS 65 - HE3 LYS 31 lone 3 100 - 3 - HB2 LYS 65 - HE2 LYS 31 lone 3 100 - 3 - HG3 GLU 37 - HE2 LYS 91 lone 3 99 - 3 - HG3 GLU 37 - HE3 LYS 91 lone 3 99 - 3 - HB2 LYS 65 - HE2 LYS 91 lone 3 99 - 3 - HB2 LYS 65 - HE3 LYS 91 lone 3 99 - 3 - QE MET 11 - HE3 LYS 91 lone 3 84 - 3 - QE MET 11 - HE2 LYS 91 lone 3 84 - 3 - HG LEU 76 - HE2 LYS 31 lone 2 81 - 3 - HG LEU 76 - HE3 LYS 31 lone 2 81 - 3 - HG LEU 76 - HE3 LYS 91 lone 2 78 - 2 - HG LEU 76 - HE2 LYS 91 lone 2 78 - 2 - HB3 GLU 33 - HE3 LYS 91 lone 1 60 - 2 - HB3 GLU 33 - HE2 LYS 91 lone 1 60 - 2 - HB2 GLU 37 - HE2 LYS 91 lone 1 58 - 2 - HB2 GLU 37 - HE3 LYS 91 lone 1 58 - 2 - Peak 1991 from cnoeabs.peaks (1.70, 2.97, 41.78 ppm; 3.05 A): 6 out of 44 assignments used, quality = 1.00: HD3 LYS 31 + HE2 LYS 31 OK 65 65 - 100 - 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 65 65 - 100 - 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 60 60 - 100 - 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 60 60 - 100 - 3.0=100 * HB3 LYS 31 + HE2 LYS 31 OK 51 100 - 51 - 5.3=19, 3.0/2002=5...(24) HB3 LYS 31 + HE3 LYS 31 OK 51 100 - 51 - 5.3=19, 3.0/2002=5...(24) HB3 LYS 91 - HE2 LYS 91 OK 39 92 - 43 - 5.0=22, 3724/3.0=8...(9) HB3 LYS 91 - HE3 LYS 91 OK 39 92 - 43 - 5.0=22, 3724/3.0=8...(9) HB3 LYS 31 - HE3 LYS 91 OK 30 99 - 31 - 3.0/1967=2, 3.0/1957=2...(16) HB3 LYS 31 - HE2 LYS 91 OK 30 99 - 31 - 3.0/1967=2, 3.0/1957=2...(16) HB3 ARG 27 - HE3 LYS 31 OK 21 100 - 22 - 1778/3.6=4, 1961/3.6=3...(6) HB3 ARG 27 - HE2 LYS 31 OK 21 100 - 22 - 1778/3.6=4, 1961/3.6=3...(6) HD3 LYS 31 - HE2 LYS 91 OK 18 63 - 29 - 3.0/1967=2, 3.0/1957=2...(15) HD3 LYS 31 - HE3 LYS 91 OK 18 63 - 29 - 3.0/1967=2, 3.0/1957=2...(15) HD2 LYS 31 - HE3 LYS 91 OK 16 58 - 28 - 3.0/1967=2, 3.0/1957=2...(15) HD2 LYS 31 - HE2 LYS 91 OK 16 58 - 28 - 3.0/1967=2, 3.0/1957=2...(15) HB2 LEU 30 - HE3 LYS 31 poor 10 98 - 10 - 3892/7.0=3, 1961/3.6=2 HB2 LEU 30 - HE2 LYS 31 poor 10 98 - 10 - 3892/7.0=3, 1961/3.6=2 HB3 LYS 91 - HE2 LYS 31 lone 7 95 - 7 - HB3 LYS 91 - HE3 LYS 31 lone 7 94 - 7 - HB3 GLU 51 - HE2 LYS 31 lone 5 89 - 6 - 5066/3.6=1 HB3 GLU 51 - HE3 LYS 31 lone 5 89 - 6 - 5066/3.6=1 HG2 LYS 78 - HE3 LYS 31 lone 5 100 - 5 - HG2 LYS 78 - HE2 LYS 31 lone 5 100 - 5 - HB3 ARG 27 - HE3 LYS 91 lone 5 99 - 5 - HB3 ARG 27 - HE2 LYS 91 lone 5 99 - 5 - HB3 GLU 51 - HE2 LYS 91 lone 3 86 - 4 - HB3 GLU 51 - HE3 LYS 91 lone 3 86 - 4 - HG2 LYS 78 - HE2 LYS 91 lone 3 99 - 3 - HG2 LYS 78 - HE3 LYS 91 lone 3 99 - 3 - HB3 LYS 17 - HE2 LYS 31 lone 3 83 - 3 - HB3 LYS 17 - HE3 LYS 31 lone 3 83 - 3 - HB3 LEU 73 - HE2 LYS 91 lone 3 58 - 4 - HB3 LEU 73 - HE3 LYS 91 lone 3 58 - 4 - HB2 LYS 17 - HE2 LYS 31 lone 3 81 - 3 - HB2 LYS 17 - HE3 LYS 31 lone 3 81 - 3 - HB3 LEU 73 - HE3 LYS 31 lone 2 60 - 4 - HB3 LEU 73 - HE2 LYS 31 lone 2 60 - 4 - HB2 LEU 30 - HE2 LYS 91 lone 2 96 - 2 - HB2 LEU 30 - HE3 LYS 91 lone 2 96 - 2 - HB3 LYS 17 - HE2 LYS 91 lone 1 80 - 1 - HB3 LYS 17 - HE3 LYS 91 lone 1 80 - 1 - HB2 LYS 17 - HE2 LYS 91 lone 1 78 - 1 - HB2 LYS 17 - HE3 LYS 91 lone 1 78 - 1 - Peak 1992 from cnoeabs.peaks (1.41, 2.97, 41.78 ppm; 3.52 A): 2 out of 24 assignments used, quality = 1.00: * HG2 LYS 31 + HE2 LYS 31 OK 97 100 - 97 - 3.6=95, ~1964=5, ~1965=5...(24) HG2 LYS 31 + HE3 LYS 31 OK 97 100 - 97 - 3.6=95, ~1964=5, ~1965=5...(24) HG2 LYS 31 - HE3 LYS 91 OK 40 99 - 40 - 1957=4, 1.8/1967=4...(16) HG2 LYS 31 - HE2 LYS 91 OK 40 99 - 40 - 1957=4, 1.8/1967=4...(16) HG2 ARG 27 - HE2 LYS 31 OK 28 97 - 29 - 1962/3.6=6, 1932/5.3=4...(8) HG2 ARG 27 - HE3 LYS 31 OK 28 97 - 29 - 1962/3.6=6, 1932/5.3=4...(8) HD2 LYS 44 - HE3 LYS 31 OK 23 94 - 24 - 1962/3.6=5, 4802/7.0=3...(12) HD2 LYS 44 - HE2 LYS 31 OK 23 95 - 24 - 1962/3.6=5, 4802/7.0=3...(12) HD3 LYS 56 - HE2 LYS 31 OK 11 92 - 12 - 1962/3.6=2, 1932/5.3=1...(5) HD3 LYS 56 - HE3 LYS 31 OK 11 92 - 12 - 1962/3.6=2, 1932/5.3=1...(5) HD2 LYS 44 - HE2 LYS 91 lone 5 92 - 5 - HD2 LYS 44 - HE3 LYS 91 lone 5 92 - 5 - HG2 ARG 27 - HE3 LYS 91 lone 4 95 - 5 - HG2 ARG 27 - HE2 LYS 91 lone 4 95 - 5 - HB3 LEU 34 - HE2 LYS 31 lone 4 93 - 4 - HB3 LEU 34 - HE3 LYS 31 lone 4 93 - 4 - QB ALA 69 - HE3 LYS 31 lone 3 76 - 3 - 3.6/844=1 QB ALA 69 - HE2 LYS 31 lone 3 76 - 3 - 3.6/844=1 QB ALA 69 - HE2 LYS 91 lone 2 73 - 2 - 3.6/844=1 QB ALA 69 - HE3 LYS 91 lone 2 73 - 2 - 3.6/844=1 HD3 LYS 56 - HE2 LYS 91 lone 1 90 - 2 - HD3 LYS 56 - HE3 LYS 91 lone 1 90 - 2 - HB3 LEU 34 - HE2 LYS 91 lone 1 91 - 1 - HB3 LEU 34 - HE3 LYS 91 lone 1 91 - 1 - Peak 1993 from cnoeabs.peaks (1.30, 2.97, 41.78 ppm; 3.67 A): 2 out of 36 assignments used, quality = 1.00: * HG3 LYS 31 + HE2 LYS 31 OK 100 100 - 100 - 3.6=100 HG3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 - 3.6=100 HG3 LYS 31 - HE3 LYS 91 OK 43 99 - 44 - 1967=5, 1967/1.8=4...(17) HG3 LYS 31 - HE2 LYS 91 OK 43 99 - 44 - 1967=5, 1967/1.8=4...(17) HD3 LYS 44 - HE2 LYS 31 OK 25 98 - 26 - 1953/3.6=5, 4801/7.0=3...(13) HD3 LYS 44 - HE3 LYS 31 OK 25 98 - 26 - 1953/3.6=5, 4801/7.0=3...(13) HG3 ARG 45 - HE2 LYS 31 OK 15 87 - 18 - 2349=2, 1.8/2341=2...(8) HG3 ARG 45 - HE3 LYS 31 OK 15 87 - 18 - 2349=2, 1.8/2341=2...(8) QB ALA 60 - HE3 LYS 31 OK 13 97 - 13 - 5367=3, 5367/1.8=3...(4) QB ALA 60 - HE2 LYS 31 OK 13 97 - 13 - 5367=3, 5367/1.8=3...(4) HG3 LYS 56 - HE2 LYS 31 poor 10 83 - 12 - 1953/3.6=2, ~5215=2...(5) HG3 LYS 56 - HE3 LYS 31 poor 10 83 - 12 - 1953/3.6=2, ~5215=2...(5) HB2 LYS 26 - HE3 LYS 31 lone 8 98 - 8 - 1953/3.6=2, 1933/5.3=1 HB2 LYS 26 - HE2 LYS 31 lone 8 98 - 8 - 1953/3.6=2, 1933/5.3=1 HB VAL 50 - HE2 LYS 31 poor 7 71 - 11 - ~5019=2, 1953/3.6=2...(7) HB VAL 50 - HE3 LYS 31 poor 7 71 - 11 - ~5019=2, 1953/3.6=2...(7) QB ALA 60 - HE3 LYS 91 lone 6 95 - 7 - 5367=1, 5367/1.8=1 QB ALA 60 - HE2 LYS 91 lone 6 95 - 7 - 5367=1, 5367/1.8=1 HD3 LYS 44 - HE3 LYS 91 lone 6 96 - 6 - HD3 LYS 44 - HE2 LYS 91 lone 6 96 - 6 - HG3 ARG 45 - HE2 LYS 91 lone 5 84 - 6 - HG3 ARG 45 - HE3 LYS 91 lone 5 84 - 6 - HB3 LYS 68 - HE3 LYS 31 lone 5 99 - 5 - HB3 LYS 68 - HE2 LYS 31 lone 5 99 - 5 - HB2 LYS 26 - HE3 LYS 91 lone 2 96 - 2 - HB2 LYS 26 - HE2 LYS 91 lone 2 96 - 2 - HG3 LYS 17 - HE2 LYS 31 lone 2 60 - 4 - HG3 LYS 17 - HE3 LYS 31 lone 2 60 - 4 - HB3 LYS 68 - HE2 LYS 91 lone 2 98 - 2 - HB3 LYS 68 - HE3 LYS 91 lone 2 98 - 2 - HG3 LYS 56 - HE3 LYS 91 lone 1 80 - 2 - HG3 LYS 56 - HE2 LYS 91 lone 1 80 - 2 - HB VAL 50 - HE2 LYS 91 lone 1 68 - 1 - HB VAL 50 - HE3 LYS 91 lone 1 68 - 1 - HG3 LYS 17 - HE2 LYS 91 lone 1 58 - 1 - HG3 LYS 17 - HE3 LYS 91 lone 1 58 - 1 - Peak 1994 from cnoeabs.peaks (1.67, 2.97, 41.78 ppm; 2.77 A): 4 out of 48 assignments used, quality = 1.00: * HD2 LYS 31 + HE2 LYS 31 OK 85 100 - 85 - 3.0=82, 1964/3.6=4...(10) HD2 LYS 31 + HE3 LYS 31 OK 85 100 - 85 - 3.0=82, 1964/3.6=4...(10) HD3 LYS 31 + HE2 LYS 31 OK 85 100 - 85 - 3.0=82, 1964/3.6=4...(10) HD3 LYS 31 + HE3 LYS 31 OK 85 100 - 85 - 3.0=82, 1964/3.6=4...(10) HB3 LYS 91 - HE3 LYS 91 OK 30 88 - 34 - 5.0=17, 3724/3.0=6...(7) HB3 LYS 91 - HE2 LYS 91 OK 30 88 - 34 - 5.0=17, 3724/3.0=6...(7) HB3 LYS 31 - HE2 LYS 31 OK 25 60 - 41 - 5.3=14, 3.0/2002=4...(19) HB3 LYS 31 - HE3 LYS 31 OK 25 60 - 41 - 5.3=14, 3.0/2002=4...(19) HD3 LYS 31 - HE3 LYS 91 OK 24 99 - 24 - 1987=2, 3.0/1967=2...(13) HD3 LYS 31 - HE2 LYS 91 OK 24 99 - 24 - 1987=2, 3.0/1967=2...(13) HD2 LYS 31 - HE3 LYS 91 OK 23 99 - 24 - 1986=2, 3.0/1967=2...(11) HD2 LYS 31 - HE2 LYS 91 OK 23 99 - 24 - 1986=2, 3.0/1967=2...(11) HB3 LYS 31 - HE2 LYS 91 OK 14 58 - 24 - 3.0/1967=2, 3.0/1957=2...(11) HB3 LYS 31 - HE3 LYS 91 OK 14 58 - 24 - 3.0/1967=2, 3.0/1957=2...(11) HB3 ARG 27 - HE2 LYS 31 poor 10 65 - 15 - 1778/3.6=2, 1965/3.6=1 HB3 ARG 27 - HE3 LYS 31 poor 10 65 - 15 - 1778/3.6=2, 1965/3.6=1 HG3 ARG 28 - HE2 LYS 91 lone 9 96 - 9 - 1.8/4564=1 HG3 ARG 28 - HE3 LYS 91 lone 9 96 - 9 - 1.8/4564=1 HG2 ARG 28 - HE3 LYS 91 lone 8 95 - 9 - 1.8/4564=1 HG2 ARG 28 - HE2 LYS 91 lone 8 95 - 9 - 1.8/4564=1 HG3 ARG 28 - HE3 LYS 31 lone 6 98 - 6 - HG3 ARG 28 - HE2 LYS 31 lone 6 98 - 6 - HG2 ARG 28 - HE3 LYS 31 lone 6 97 - 6 - HG2 ARG 28 - HE2 LYS 31 lone 6 97 - 6 - HB2 LEU 30 - HE2 LYS 31 lone 6 83 - 7 - 3892/7.0=2 HB2 LEU 30 - HE3 LYS 31 lone 6 83 - 7 - 3892/7.0=2 HB3 LYS 91 - HE2 LYS 31 lone 5 90 - 5 - HB3 LYS 91 - HE3 LYS 31 lone 5 90 - 5 - HB3 GLU 51 - HE2 LYS 31 lone 4 96 - 5 - 5066/3.6=1 HB3 GLU 51 - HE3 LYS 31 lone 4 96 - 5 - 5066/3.6=1 HB3 LEU 73 - HE2 LYS 91 lone 4 99 - 4 - HB3 LEU 73 - HE3 LYS 91 lone 4 99 - 4 - HB3 LEU 73 - HE3 LYS 31 lone 3 100 - 3 - HB3 LEU 73 - HE2 LYS 31 lone 3 100 - 3 - HB3 GLU 51 - HE2 LYS 91 lone 3 93 - 3 - HB3 GLU 51 - HE3 LYS 91 lone 3 93 - 3 - HB3 ARG 27 - HE2 LYS 91 lone 2 63 - 3 - HB3 ARG 27 - HE3 LYS 91 lone 2 63 - 3 - HB3 LYS 14 - HE2 LYS 91 lone 1 68 - 2 - HB3 LYS 14 - HE3 LYS 91 lone 1 68 - 2 - HB2 LYS 14 - HE2 LYS 91 lone 1 68 - 2 - HB2 LYS 14 - HE3 LYS 91 lone 1 68 - 2 - HB2 LEU 30 - HE2 LYS 91 lone 1 80 - 1 - HB2 LEU 30 - HE3 LYS 91 lone 1 80 - 1 - HB3 LYS 14 - HE2 LYS 31 lone 1 71 - 1 - HB2 LYS 14 - HE2 LYS 31 lone 1 71 - 1 - HB2 LYS 14 - HE3 LYS 31 lone 1 71 - 1 - HB3 LYS 14 - HE3 LYS 31 lone 1 71 - 1 - Peak 1995 from cnoeabs.peaks (1.67, 2.97, 41.78 ppm; 2.77 A): 4 out of 52 assignments used, quality = 1.00: * HD3 LYS 31 + HE2 LYS 31 OK 85 100 - 85 - 3.0=82, 1964/3.6=4...(10) HD3 LYS 31 + HE3 LYS 31 OK 85 100 - 85 - 3.0=82, 1964/3.6=4...(10) HD2 LYS 31 + HE2 LYS 31 OK 85 100 - 85 - 3.0=82, 1964/3.6=4...(10) HD2 LYS 31 + HE3 LYS 31 OK 85 100 - 85 - 3.0=82, 1964/3.6=4...(10) HB3 LYS 91 - HE2 LYS 91 OK 31 91 - 34 - 5.0=17, 3724/3.0=6...(7) HB3 LYS 91 - HE3 LYS 91 OK 31 91 - 34 - 5.0=17, 3724/3.0=6...(7) HB3 LYS 31 - HE2 LYS 31 OK 27 65 - 41 - 5.3=14, 3.0/2002=4...(19) HB3 LYS 31 - HE3 LYS 31 OK 27 65 - 41 - 5.3=14, 3.0/2002=4...(19) HD3 LYS 31 - HE2 LYS 91 OK 24 99 - 24 - 1987=2, 3.0/1967=2...(13) HD3 LYS 31 - HE3 LYS 91 OK 24 99 - 24 - 1987=2, 3.0/1967=2...(13) HD2 LYS 31 - HE2 LYS 91 OK 24 99 - 24 - 1986=2, 3.0/1967=2...(13) HD2 LYS 31 - HE3 LYS 91 OK 24 99 - 24 - 1986=2, 3.0/1967=2...(13) HB3 LYS 31 - HE2 LYS 91 OK 15 63 - 24 - 3.0/1967=2, 3.0/1957=2...(11) HB3 LYS 31 - HE3 LYS 91 OK 15 63 - 24 - 3.0/1967=2, 3.0/1957=2...(11) HB3 ARG 27 - HE2 LYS 31 OK 11 71 - 15 - 1778/3.6=2, 1965/3.6=1 HB3 ARG 27 - HE3 LYS 31 OK 11 71 - 15 - 1778/3.6=2, 1965/3.6=1 HG3 ARG 28 - HE2 LYS 91 lone 8 95 - 9 - 1.8/4564=1 HG3 ARG 28 - HE3 LYS 91 lone 8 95 - 9 - 1.8/4564=1 HG2 ARG 28 - HE2 LYS 91 lone 8 92 - 9 - 1.8/4564=1 HG2 ARG 28 - HE3 LYS 91 lone 8 92 - 9 - 1.8/4564=1 HG3 ARG 28 - HE3 LYS 31 lone 6 97 - 6 - HG3 ARG 28 - HE2 LYS 31 lone 6 97 - 6 - HG2 ARG 28 - HE3 LYS 31 lone 6 94 - 6 - HG2 ARG 28 - HE2 LYS 31 lone 6 95 - 6 - HB2 LEU 30 - HE2 LYS 31 lone 6 87 - 7 - 3892/7.0=2 HB2 LEU 30 - HE3 LYS 31 lone 6 87 - 7 - 3892/7.0=2 HB3 LYS 91 - HE2 LYS 31 lone 5 93 - 5 - HB3 LYS 91 - HE3 LYS 31 lone 5 93 - 5 - HB3 GLU 51 - HE2 LYS 31 lone 5 97 - 5 - 5066/3.6=1 HB3 GLU 51 - HE3 LYS 31 lone 5 97 - 5 - 5066/3.6=1 HB3 LEU 73 - HE3 LYS 91 lone 4 99 - 4 - HB3 LEU 73 - HE2 LYS 91 lone 4 99 - 4 - HB3 LEU 73 - HE3 LYS 31 lone 3 100 - 3 - HB3 LEU 73 - HE2 LYS 31 lone 3 100 - 3 - HB3 GLU 51 - HE2 LYS 91 lone 3 95 - 3 - HB3 GLU 51 - HE3 LYS 91 lone 3 95 - 3 - HB3 ARG 27 - HE2 LYS 91 lone 2 68 - 3 - HB3 ARG 27 - HE3 LYS 91 lone 2 68 - 3 - HG2 LYS 78 - HE2 LYS 31 lone 2 63 - 3 - HG2 LYS 78 - HE3 LYS 31 lone 2 63 - 3 - HG2 LYS 78 - HE2 LYS 91 lone 1 60 - 2 - HG2 LYS 78 - HE3 LYS 91 lone 1 60 - 2 - HB3 LYS 14 - HE2 LYS 91 lone 1 63 - 2 - HB2 LYS 14 - HE3 LYS 91 lone 1 63 - 2 - HB2 LYS 14 - HE2 LYS 91 lone 1 63 - 2 - HB3 LYS 14 - HE3 LYS 91 lone 1 63 - 2 - HB2 LEU 30 - HE3 LYS 91 lone 1 84 - 1 - HB2 LEU 30 - HE2 LYS 91 lone 1 84 - 1 - HB2 LYS 14 - HE2 LYS 31 lone 1 65 - 1 - HB3 LYS 14 - HE2 LYS 31 lone 1 65 - 1 - HB3 LYS 14 - HE3 LYS 31 lone 1 65 - 1 - HB2 LYS 14 - HE3 LYS 31 lone 1 65 - 1 - Peak 1996 from cnoeabs.peaks (2.97, 2.97, 41.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE3 LYS 91 + HE3 LYS 91 OK 99 99 - 100 HE2 LYS 91 + HE2 LYS 91 OK 99 99 - 100 Peak 1997 from cnoeabs.peaks (2.97, 2.97, 41.78 ppm; diagonal): 4 out of 4 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 HE3 LYS 91 + HE3 LYS 91 OK 99 99 - 100 HE2 LYS 91 + HE2 LYS 91 OK 99 99 - 100 Reference assignment not found: HE3 LYS 31 - HE2 LYS 31 Peak 1999 from cnoeabs.peaks (4.60, 2.97, 41.78 ppm; 6.20 A): 8 out of 36 assignments used, quality = 1.00: * HA LYS 31 + HE3 LYS 31 OK 99 100 - 99 - 6.3=96, 1927/1.8=11...(27) HA LYS 31 + HE2 LYS 31 OK 99 100 - 99 - 6.3=96, 1927/1.8=11...(27) HA LYS 31 + HE2 LYS 91 OK 60 99 - 61 - 3.0/1937=7, 1927=7...(22) HA LYS 31 + HE3 LYS 91 OK 60 99 - 61 - 3.0/1937=7, 1927=7...(22) HA THR 38 + HE3 LYS 31 OK 49 92 - 54 - 1949/3.6=10, 1959/3.6=10...(10) HA THR 38 + HE2 LYS 31 OK 49 92 - 54 - 1949/3.6=10, 1959/3.6=10...(10) HA ARG 27 + HE3 LYS 31 OK 49 83 - 59 - 1949/3.6=11, 1959/3.6=11...(18) HA ARG 27 + HE2 LYS 31 OK 49 83 - 59 - 1949/3.6=11, 1959/3.6=11...(18) HA ARG 27 - HE3 LYS 91 OK 11 80 - 14 - 1761/5.0=1, 1760/5.0=1 HA ARG 27 - HE2 LYS 91 OK 11 80 - 14 - 1761/5.0=1, 1760/5.0=1 HA ASP 43 - HE3 LYS 31 OK 10 99 - 10 - 1949/3.6=2, 1959/3.6=2 HA ASP 43 - HE2 LYS 31 OK 10 99 - 10 - 1949/3.6=2, 1959/3.6=2 HA LEU 12 - HE3 LYS 31 lone 10 97 - 10 - 1949/3.6=1, 1959/3.6=1 HA LEU 12 - HE2 LYS 31 lone 10 97 - 10 - 1949/3.6=1, 1959/3.6=1 HA ASN 24 - HE2 LYS 91 poor 7 55 - 12 - 2.9/3767=2, ~3777=2...(4) HA ASN 24 - HE3 LYS 91 poor 7 55 - 12 - 2.9/3767=2, ~3777=2...(4) HA THR 38 - HE3 LYS 91 lone 7 89 - 7 - ~4788=1 HA THR 38 - HE2 LYS 91 lone 7 89 - 7 - ~4788=1 HA HIS 10 - HE3 LYS 31 lone 6 92 - 7 - HA HIS 10 - HE2 LYS 31 lone 6 92 - 7 - HA ASN 24 - HE3 LYS 31 poor 6 57 - 11 - HA ASN 24 - HE2 LYS 31 poor 6 57 - 11 - HA ASP 82 - HE3 LYS 31 lone 6 83 - 7 - HA ASP 82 - HE2 LYS 31 lone 6 83 - 7 - HA LEU 12 - HE2 LYS 91 lone 5 95 - 5 - HA LEU 12 - HE3 LYS 91 lone 5 95 - 5 - HA ASN 63 - HE3 LYS 31 lone 4 71 - 6 - HA ASN 63 - HE2 LYS 31 lone 4 71 - 6 - HA ASP 43 - HE2 LYS 91 lone 3 97 - 3 - HA ASP 43 - HE3 LYS 91 lone 3 97 - 3 - HA HIS 10 - HE3 LYS 91 lone 3 89 - 3 - HA HIS 10 - HE2 LYS 91 lone 3 89 - 3 - HA ASP 82 - HE3 LYS 91 lone 3 80 - 3 - HA ASP 82 - HE2 LYS 91 lone 3 80 - 3 - HA ASN 63 - HE2 LYS 91 lone 2 68 - 3 - HA ASN 63 - HE3 LYS 91 lone 2 68 - 3 - Peak 2000 from cnoeabs.peaks (1.79, 2.97, 41.78 ppm; 4.45 A): 8 out of 68 assignments used, quality = 1.00: * HB2 LYS 31 + HE3 LYS 31 OK 89 100 - 89 - 5.3=59, 1934/3.0=10...(29) HB2 LYS 31 + HE2 LYS 31 OK 89 100 - 89 - 5.3=59, 1934/3.0=10...(29) HB2 LYS 91 + HE3 LYS 91 OK 85 98 - 87 - 5.0=69, 3714/3.0=12...(17) HB2 LYS 91 + HE2 LYS 91 OK 85 98 - 87 - 5.0=69, 3714/3.0=12...(17) HB2 LYS 31 + HE3 LYS 91 OK 59 99 - 60 - 1937=6, 1937/1.8=5...(33) HB2 LYS 31 + HE2 LYS 91 OK 59 99 - 60 - 1937=6, 1937/1.8=5...(33) HB2 ARG 27 + HE3 LYS 31 OK 47 97 - 49 - 1770/3.6=8, 1960/3.6=7...(25) HB2 ARG 27 + HE2 LYS 31 OK 47 97 - 49 - 1770/3.6=8, 1960/3.6=7...(25) HB2 ARG 28 - HE2 LYS 91 OK 22 99 - 23 - 3.0/4564=3, 3.0/4564=3...(8) HB2 ARG 28 - HE3 LYS 91 OK 22 99 - 23 - 3.0/4564=3, 3.0/4564=3...(8) HB2 LYS 91 - HE3 LYS 31 OK 21 99 - 21 - 3710/3.0=2, 1960/3.6=2...(8) HB2 LYS 91 - HE2 LYS 31 OK 21 99 - 21 - 3710/3.0=2, 1960/3.6=2...(8) HB2 ARG 28 - HE3 LYS 31 OK 19 100 - 19 - 3.0/4564=2, 3.0/4564=2...(5) HB2 ARG 28 - HE2 LYS 31 OK 19 100 - 19 - 3.0/4564=2, 3.0/4564=2...(5) HB3 ARG 28 - HE3 LYS 91 OK 17 80 - 21 - 3.0/4564=3, 3.0/4564=3...(4) HB3 ARG 28 - HE2 LYS 91 OK 17 80 - 21 - 3.0/4564=3, 3.0/4564=3...(4) HB3 ARG 28 - HE3 LYS 31 OK 15 83 - 18 - 3.0/4564=2, 3.0/4564=2...(5) HB3 ARG 28 - HE2 LYS 31 OK 15 83 - 18 - 3.0/4564=2, 3.0/4564=2...(5) HD3 LYS 78 - HE3 LYS 31 OK 13 100 - 13 - 3351/5.3=3, 1960/3.6=2...(4) HD3 LYS 78 - HE2 LYS 31 OK 13 100 - 13 - 3351/5.3=3, 1960/3.6=2...(4) HG2 GLU 51 - HE3 LYS 31 OK 11 81 - 14 - 1960/3.6=2, 1950/3.6=2...(5) HG2 GLU 51 - HE2 LYS 31 OK 11 81 - 14 - 1960/3.6=2, 1950/3.6=2...(5) HB2 ARG 27 - HE2 LYS 91 OK 11 94 - 11 - 3719/5.0=1 HB2 ARG 27 - HE3 LYS 91 OK 11 94 - 11 - 3719/5.0=1 HG3 GLU 51 - HE3 LYS 31 OK 11 78 - 14 - 1960/3.6=2, 1950/3.6=2...(5) HG3 GLU 51 - HE2 LYS 31 OK 11 78 - 14 - 1960/3.6=2, 1950/3.6=2...(5) HG3 GLU 37 - HE3 LYS 31 lone 8 100 - 8 - 3935/7.0=3, 1960/3.6=1 HG3 GLU 37 - HE2 LYS 31 lone 8 100 - 8 - 3935/7.0=3, 1960/3.6=1 HD3 LYS 78 - HE2 LYS 91 lone 7 99 - 7 - 3351/5.0=2 HD3 LYS 78 - HE3 LYS 91 lone 7 99 - 7 - 3351/5.0=2 HB2 LYS 44 - HE3 LYS 31 poor 7 63 - 12 - 1950/3.6=2, 1960/3.6=2...(4) HB2 LYS 44 - HE2 LYS 31 poor 7 63 - 12 - 1950/3.6=2, 1960/3.6=2...(4) HG2 GLU 51 - HE3 LYS 91 lone 7 78 - 9 - 3719/5.0=1 HG2 GLU 51 - HE2 LYS 91 lone 7 78 - 9 - 3719/5.0=1 HG3 GLU 51 - HE3 LYS 91 lone 7 75 - 9 - 3719/5.0=1 HG3 GLU 51 - HE2 LYS 91 lone 7 75 - 9 - 3719/5.0=1 HB3 GLU 33 - HE3 LYS 31 lone 6 63 - 9 - ~4666=3, 1960/3.6=2, 1950/3.6=2 HB3 GLU 33 - HE2 LYS 31 lone 6 63 - 9 - ~4666=3, 1960/3.6=2, 1950/3.6=2 QB ALA 74 - HE3 LYS 31 lone 6 97 - 6 - QB ALA 74 - HE2 LYS 31 lone 6 97 - 6 - HB2 MET 48 - HE3 LYS 31 lone 5 99 - 5 - 3935/7.0=1 HB2 MET 48 - HE2 LYS 31 lone 5 99 - 5 - 3935/7.0=1 HB2 MET 48 - HE2 LYS 91 lone 5 97 - 5 - HB2 MET 48 - HE3 LYS 91 lone 5 97 - 5 - HB2 LYS 44 - HE3 LYS 91 lone 4 60 - 7 - HB2 LYS 44 - HE2 LYS 91 lone 4 60 - 7 - QB ALA 74 - HE3 LYS 91 lone 4 94 - 4 - QB ALA 74 - HE2 LYS 91 lone 4 94 - 4 - QE MET 11 - HE3 LYS 31 lone 4 87 - 4 - QE MET 11 - HE2 LYS 31 lone 4 87 - 4 - HB2 GLU 37 - HE3 LYS 31 lone 4 60 - 6 - 3932/7.0=2 HB2 GLU 37 - HE2 LYS 31 lone 3 60 - 6 - 3932/7.0=2 HB2 LYS 65 - HE3 LYS 31 lone 3 100 - 3 - HB2 LYS 65 - HE2 LYS 31 lone 3 100 - 3 - HG3 GLU 37 - HE3 LYS 91 lone 3 99 - 3 - HG3 GLU 37 - HE2 LYS 91 lone 3 99 - 3 - HB2 LYS 65 - HE2 LYS 91 lone 3 99 - 3 - HB2 LYS 65 - HE3 LYS 91 lone 3 99 - 3 - QE MET 11 - HE2 LYS 91 lone 3 84 - 3 - QE MET 11 - HE3 LYS 91 lone 3 84 - 3 - HG LEU 76 - HE3 LYS 31 lone 2 81 - 3 - HG LEU 76 - HE2 LYS 31 lone 2 81 - 3 - HG LEU 76 - HE3 LYS 91 lone 2 78 - 2 - HG LEU 76 - HE2 LYS 91 lone 2 78 - 2 - HB3 GLU 33 - HE3 LYS 91 lone 1 60 - 2 - HB3 GLU 33 - HE2 LYS 91 lone 1 60 - 2 - HB2 GLU 37 - HE2 LYS 91 lone 1 57 - 2 - HB2 GLU 37 - HE3 LYS 91 lone 1 57 - 2 - Peak 2001 from cnoeabs.peaks (1.70, 2.97, 41.78 ppm; 3.05 A): 6 out of 44 assignments used, quality = 1.00: HD3 LYS 31 + HE3 LYS 31 OK 65 65 - 100 - 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 65 65 - 100 - 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 60 60 - 100 - 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 60 60 - 100 - 3.0=100 * HB3 LYS 31 + HE3 LYS 31 OK 51 100 - 51 - 5.3=19, 3.0/2002=5...(24) HB3 LYS 31 + HE2 LYS 31 OK 51 100 - 51 - 5.3=19, 3.0/2002=5...(24) HB3 LYS 91 - HE3 LYS 91 OK 39 92 - 43 - 5.0=22, 3724/3.0=8...(9) HB3 LYS 91 - HE2 LYS 91 OK 39 92 - 43 - 5.0=22, 3724/3.0=8...(9) HB3 LYS 31 - HE3 LYS 91 OK 30 99 - 31 - 3.0/1967=2, 3.0/1957=2...(16) HB3 LYS 31 - HE2 LYS 91 OK 30 99 - 31 - 3.0/1967=2, 3.0/1957=2...(16) HB3 ARG 27 - HE3 LYS 31 OK 21 100 - 22 - 1778/3.6=4, 1961/3.6=3...(6) HB3 ARG 27 - HE2 LYS 31 OK 21 100 - 22 - 1778/3.6=4, 1961/3.6=3...(6) HD3 LYS 31 - HE2 LYS 91 OK 18 63 - 29 - 3.0/1967=2, 3.0/1957=2...(15) HD3 LYS 31 - HE3 LYS 91 OK 18 63 - 29 - 3.0/1967=2, 3.0/1957=2...(15) HD2 LYS 31 - HE2 LYS 91 OK 16 57 - 28 - 3.0/1967=2, 3.0/1957=2...(15) HD2 LYS 31 - HE3 LYS 91 OK 16 57 - 28 - 3.0/1967=2, 3.0/1957=2...(15) HB2 LEU 30 - HE3 LYS 31 poor 10 98 - 10 - 3892/7.0=3, 1961/3.6=2 HB2 LEU 30 - HE2 LYS 31 poor 10 98 - 10 - 3892/7.0=3, 1961/3.6=2 HB3 LYS 91 - HE3 LYS 31 lone 7 95 - 7 - HB3 LYS 91 - HE2 LYS 31 lone 7 94 - 7 - HB3 GLU 51 - HE3 LYS 31 lone 5 89 - 6 - 5066/3.6=1 HB3 GLU 51 - HE2 LYS 31 lone 5 89 - 6 - 5066/3.6=1 HG2 LYS 78 - HE3 LYS 31 lone 5 100 - 5 - HG2 LYS 78 - HE2 LYS 31 lone 5 100 - 5 - HB3 ARG 27 - HE3 LYS 91 lone 5 99 - 5 - HB3 ARG 27 - HE2 LYS 91 lone 5 99 - 5 - HB3 GLU 51 - HE2 LYS 91 lone 3 86 - 4 - HB3 GLU 51 - HE3 LYS 91 lone 3 86 - 4 - HG2 LYS 78 - HE2 LYS 91 lone 3 99 - 3 - HG2 LYS 78 - HE3 LYS 91 lone 3 99 - 3 - HB3 LYS 17 - HE3 LYS 31 lone 3 83 - 3 - HB3 LYS 17 - HE2 LYS 31 lone 3 83 - 3 - HB3 LEU 73 - HE2 LYS 91 lone 3 57 - 4 - HB3 LEU 73 - HE3 LYS 91 lone 3 57 - 4 - HB2 LYS 17 - HE3 LYS 31 lone 3 81 - 3 - HB2 LYS 17 - HE2 LYS 31 lone 3 81 - 3 - HB3 LEU 73 - HE3 LYS 31 lone 2 60 - 4 - HB3 LEU 73 - HE2 LYS 31 lone 2 60 - 4 - HB2 LEU 30 - HE2 LYS 91 lone 2 96 - 2 - HB2 LEU 30 - HE3 LYS 91 lone 2 96 - 2 - HB3 LYS 17 - HE2 LYS 91 lone 1 80 - 1 - HB3 LYS 17 - HE3 LYS 91 lone 1 80 - 1 - HB2 LYS 17 - HE3 LYS 91 lone 1 78 - 1 - HB2 LYS 17 - HE2 LYS 91 lone 1 78 - 1 - Peak 2002 from cnoeabs.peaks (1.41, 2.97, 41.78 ppm; 3.52 A): 2 out of 24 assignments used, quality = 1.00: * HG2 LYS 31 + HE3 LYS 31 OK 97 100 - 97 - 3.6=95, ~1964=5, ~1965=5...(24) HG2 LYS 31 + HE2 LYS 31 OK 97 100 - 97 - 3.6=95, ~1964=5, ~1965=5...(24) HG2 LYS 31 - HE3 LYS 91 OK 40 99 - 40 - 1957=4, 1.8/1967=4...(16) HG2 LYS 31 - HE2 LYS 91 OK 40 99 - 40 - 1957=4, 1.8/1967=4...(16) HG2 ARG 27 - HE3 LYS 31 OK 28 97 - 29 - 1962/3.6=6, 1932/5.3=4...(8) HG2 ARG 27 - HE2 LYS 31 OK 28 97 - 29 - 1962/3.6=6, 1932/5.3=4...(8) HD2 LYS 44 - HE3 LYS 31 OK 23 95 - 24 - 1962/3.6=5, 4802/7.0=3...(12) HD2 LYS 44 - HE2 LYS 31 OK 23 94 - 24 - 1962/3.6=5, 4802/7.0=3...(12) HD3 LYS 56 - HE3 LYS 31 OK 11 92 - 12 - 1962/3.6=2, 1932/5.3=1...(5) HD3 LYS 56 - HE2 LYS 31 OK 11 92 - 12 - 1962/3.6=2, 1932/5.3=1...(5) HD2 LYS 44 - HE2 LYS 91 lone 5 92 - 5 - HD2 LYS 44 - HE3 LYS 91 lone 5 92 - 5 - HG2 ARG 27 - HE3 LYS 91 lone 4 95 - 5 - HG2 ARG 27 - HE2 LYS 91 lone 4 95 - 5 - HB3 LEU 34 - HE2 LYS 31 lone 4 93 - 4 - HB3 LEU 34 - HE3 LYS 31 lone 4 93 - 4 - QB ALA 69 - HE3 LYS 31 lone 3 76 - 3 - 3.6/844=1 QB ALA 69 - HE2 LYS 31 lone 3 76 - 3 - 3.6/844=1 QB ALA 69 - HE2 LYS 91 lone 2 73 - 2 - 3.6/844=1 QB ALA 69 - HE3 LYS 91 lone 2 73 - 2 - 3.6/844=1 HD3 LYS 56 - HE2 LYS 91 lone 1 89 - 2 - HD3 LYS 56 - HE3 LYS 91 lone 1 89 - 2 - HB3 LEU 34 - HE2 LYS 91 lone 1 91 - 1 - HB3 LEU 34 - HE3 LYS 91 lone 1 91 - 1 - Peak 2003 from cnoeabs.peaks (1.30, 2.97, 41.78 ppm; 3.67 A): 2 out of 36 assignments used, quality = 1.00: * HG3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 - 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 100 100 - 100 - 3.6=100 HG3 LYS 31 - HE2 LYS 91 OK 43 99 - 44 - 1967=5, 1967/1.8=4...(17) HG3 LYS 31 - HE3 LYS 91 OK 43 99 - 44 - 1967=5, 1967/1.8=4...(17) HD3 LYS 44 - HE3 LYS 31 OK 25 98 - 26 - 1953/3.6=5, 4801/7.0=3...(13) HD3 LYS 44 - HE2 LYS 31 OK 25 98 - 26 - 1953/3.6=5, 4801/7.0=3...(13) HG3 ARG 45 - HE2 LYS 31 OK 15 87 - 18 - 2349=2, 1.8/2341=2...(8) HG3 ARG 45 - HE3 LYS 31 OK 15 87 - 18 - 2349=2, 1.8/2341=2...(8) QB ALA 60 - HE3 LYS 31 OK 13 97 - 13 - 5367/1.8=3, 5367=3...(4) QB ALA 60 - HE2 LYS 31 OK 13 97 - 13 - 5367=3, 5367/1.8=3...(4) HG3 LYS 56 - HE3 LYS 31 poor 10 83 - 12 - 1953/3.6=2, ~5215=2...(5) HG3 LYS 56 - HE2 LYS 31 poor 10 83 - 12 - 1953/3.6=2, ~5215=2...(5) HB2 LYS 26 - HE3 LYS 31 lone 8 98 - 8 - 1953/3.6=2, 1933/5.3=1 HB2 LYS 26 - HE2 LYS 31 lone 8 98 - 8 - 1953/3.6=2, 1933/5.3=1 HB VAL 50 - HE3 LYS 31 poor 7 71 - 11 - ~5019=2, 1953/3.6=2...(7) HB VAL 50 - HE2 LYS 31 poor 7 71 - 11 - ~5019=2, 1953/3.6=2...(7) QB ALA 60 - HE3 LYS 91 lone 6 95 - 7 - 5367=1, 5367/1.8=1 QB ALA 60 - HE2 LYS 91 lone 6 95 - 7 - 5367=1, 5367/1.8=1 HD3 LYS 44 - HE2 LYS 91 lone 6 96 - 6 - HD3 LYS 44 - HE3 LYS 91 lone 6 96 - 6 - HG3 ARG 45 - HE2 LYS 91 lone 5 84 - 6 - HG3 ARG 45 - HE3 LYS 91 lone 5 84 - 6 - HB3 LYS 68 - HE3 LYS 31 lone 5 99 - 5 - HB3 LYS 68 - HE2 LYS 31 lone 5 99 - 5 - HB2 LYS 26 - HE3 LYS 91 lone 2 96 - 2 - HB2 LYS 26 - HE2 LYS 91 lone 2 96 - 2 - HG3 LYS 17 - HE3 LYS 31 lone 2 60 - 4 - HG3 LYS 17 - HE2 LYS 31 lone 2 60 - 4 - HB3 LYS 68 - HE2 LYS 91 lone 2 97 - 2 - HB3 LYS 68 - HE3 LYS 91 lone 2 97 - 2 - HG3 LYS 56 - HE3 LYS 91 lone 1 80 - 2 - HG3 LYS 56 - HE2 LYS 91 lone 1 80 - 2 - HB VAL 50 - HE2 LYS 91 lone 1 68 - 1 - HB VAL 50 - HE3 LYS 91 lone 1 68 - 1 - HG3 LYS 17 - HE2 LYS 91 lone 1 57 - 1 - HG3 LYS 17 - HE3 LYS 91 lone 1 57 - 1 - Peak 2004 from cnoeabs.peaks (1.67, 2.97, 41.78 ppm; 2.77 A): 4 out of 48 assignments used, quality = 1.00: * HD2 LYS 31 + HE3 LYS 31 OK 85 100 - 85 - 3.0=82, 1964/3.6=4...(10) HD2 LYS 31 + HE2 LYS 31 OK 85 100 - 85 - 3.0=82, 1964/3.6=4...(10) HD3 LYS 31 + HE3 LYS 31 OK 85 100 - 85 - 3.0=82, 1964/3.6=4...(10) HD3 LYS 31 + HE2 LYS 31 OK 85 100 - 85 - 3.0=82, 1964/3.6=4...(10) HB3 LYS 91 - HE3 LYS 91 OK 30 88 - 34 - 5.0=17, 3724/3.0=6...(7) HB3 LYS 91 - HE2 LYS 91 OK 30 88 - 34 - 5.0=17, 3724/3.0=6...(7) HB3 LYS 31 - HE3 LYS 31 OK 25 60 - 41 - 5.3=14, 3.0/2002=4...(19) HB3 LYS 31 - HE2 LYS 31 OK 25 60 - 41 - 5.3=14, 3.0/2002=4...(19) HD3 LYS 31 - HE2 LYS 91 OK 23 99 - 24 - 1987=2, 3.0/1967=2...(13) HD3 LYS 31 - HE3 LYS 91 OK 23 99 - 24 - 1987=2, 3.0/1967=2...(13) HD2 LYS 31 - HE3 LYS 91 OK 23 99 - 24 - 1986=2, 3.0/1967=2...(11) HD2 LYS 31 - HE2 LYS 91 OK 23 99 - 24 - 1986=2, 3.0/1967=2...(11) HB3 LYS 31 - HE3 LYS 91 OK 14 57 - 24 - 3.0/1967=2, 3.0/1957=2...(11) HB3 LYS 31 - HE2 LYS 91 OK 14 57 - 24 - 3.0/1967=2, 3.0/1957=2...(11) HB3 ARG 27 - HE3 LYS 31 poor 10 65 - 15 - 1778/3.6=2, 1965/3.6=1 HB3 ARG 27 - HE2 LYS 31 poor 10 65 - 15 - 1778/3.6=2, 1965/3.6=1 HG3 ARG 28 - HE2 LYS 91 lone 9 96 - 9 - 1.8/4564=1 HG3 ARG 28 - HE3 LYS 91 lone 9 96 - 9 - 1.8/4564=1 HG2 ARG 28 - HE3 LYS 91 lone 8 94 - 9 - 1.8/4564=1 HG2 ARG 28 - HE2 LYS 91 lone 8 94 - 9 - 1.8/4564=1 HG3 ARG 28 - HE3 LYS 31 lone 6 98 - 6 - HG3 ARG 28 - HE2 LYS 31 lone 6 98 - 6 - HG2 ARG 28 - HE3 LYS 31 lone 6 97 - 6 - HG2 ARG 28 - HE2 LYS 31 lone 6 97 - 6 - HB2 LEU 30 - HE3 LYS 31 lone 6 83 - 7 - 3892/7.0=2 HB2 LEU 30 - HE2 LYS 31 lone 6 83 - 7 - 3892/7.0=2 HB3 LYS 91 - HE3 LYS 31 lone 5 90 - 5 - HB3 LYS 91 - HE2 LYS 31 lone 5 90 - 5 - HB3 GLU 51 - HE3 LYS 31 lone 4 96 - 5 - 5066/3.6=1 HB3 GLU 51 - HE2 LYS 31 lone 4 96 - 5 - 5066/3.6=1 HB3 LEU 73 - HE3 LYS 91 lone 4 99 - 4 - HB3 LEU 73 - HE2 LYS 91 lone 4 99 - 4 - HB3 LEU 73 - HE3 LYS 31 lone 3 100 - 3 - HB3 LEU 73 - HE2 LYS 31 lone 3 100 - 3 - HB3 GLU 51 - HE2 LYS 91 lone 3 93 - 3 - HB3 GLU 51 - HE3 LYS 91 lone 3 93 - 3 - HB3 ARG 27 - HE3 LYS 91 lone 2 63 - 3 - HB3 ARG 27 - HE2 LYS 91 lone 2 63 - 3 - HB3 LYS 14 - HE2 LYS 91 lone 1 68 - 2 - HB3 LYS 14 - HE3 LYS 91 lone 1 68 - 2 - HB2 LYS 14 - HE2 LYS 91 lone 1 68 - 2 - HB2 LYS 14 - HE3 LYS 91 lone 1 68 - 2 - HB2 LEU 30 - HE2 LYS 91 lone 1 80 - 1 - HB2 LEU 30 - HE3 LYS 91 lone 1 80 - 1 - HB2 LYS 14 - HE3 LYS 31 lone 1 71 - 1 - HB3 LYS 14 - HE3 LYS 31 lone 1 71 - 1 - HB2 LYS 14 - HE2 LYS 31 lone 1 71 - 1 - HB3 LYS 14 - HE2 LYS 31 lone 1 71 - 1 - Peak 2005 from cnoeabs.peaks (1.67, 2.97, 41.78 ppm; 2.77 A): 4 out of 52 assignments used, quality = 1.00: * HD3 LYS 31 + HE3 LYS 31 OK 85 100 - 85 - 3.0=82, 1964/3.6=4...(10) HD3 LYS 31 + HE2 LYS 31 OK 85 100 - 85 - 3.0=82, 1964/3.6=4...(10) HD2 LYS 31 + HE3 LYS 31 OK 85 100 - 85 - 3.0=82, 1964/3.6=4...(10) HD2 LYS 31 + HE2 LYS 31 OK 85 100 - 85 - 3.0=82, 1964/3.6=4...(10) HB3 LYS 91 - HE2 LYS 91 OK 31 91 - 34 - 5.0=17, 3724/3.0=6...(7) HB3 LYS 91 - HE3 LYS 91 OK 31 91 - 34 - 5.0=17, 3724/3.0=6...(7) HB3 LYS 31 - HE3 LYS 31 OK 27 65 - 41 - 5.3=14, 3.0/2002=4...(19) HB3 LYS 31 - HE2 LYS 31 OK 27 65 - 41 - 5.3=14, 3.0/2002=4...(19) HD3 LYS 31 - HE2 LYS 91 OK 24 99 - 24 - 1987=2, 3.0/1967=2...(13) HD3 LYS 31 - HE3 LYS 91 OK 24 99 - 24 - 1987=2, 3.0/1967=2...(13) HD2 LYS 31 - HE2 LYS 91 OK 24 99 - 24 - 1986=2, 3.0/1967=2...(13) HD2 LYS 31 - HE3 LYS 91 OK 24 99 - 24 - 1986=2, 3.0/1967=2...(13) HB3 LYS 31 - HE2 LYS 91 OK 15 63 - 24 - 3.0/1967=2, 3.0/1957=2...(11) HB3 LYS 31 - HE3 LYS 91 OK 15 63 - 24 - 3.0/1967=2, 3.0/1957=2...(11) HB3 ARG 27 - HE3 LYS 31 OK 11 71 - 15 - 1778/3.6=2, 1965/3.6=1 HB3 ARG 27 - HE2 LYS 31 OK 11 71 - 15 - 1778/3.6=2, 1965/3.6=1 HG3 ARG 28 - HE3 LYS 91 lone 8 94 - 9 - 1.8/4564=1 HG3 ARG 28 - HE2 LYS 91 lone 8 94 - 9 - 1.8/4564=1 HG2 ARG 28 - HE2 LYS 91 lone 8 92 - 9 - 1.8/4564=1 HG2 ARG 28 - HE3 LYS 91 lone 8 92 - 9 - 1.8/4564=1 HG3 ARG 28 - HE3 LYS 31 lone 6 97 - 6 - HG3 ARG 28 - HE2 LYS 31 lone 6 97 - 6 - HG2 ARG 28 - HE3 LYS 31 lone 6 95 - 6 - HG2 ARG 28 - HE2 LYS 31 lone 6 94 - 6 - HB2 LEU 30 - HE3 LYS 31 lone 6 87 - 7 - 3892/7.0=2 HB2 LEU 30 - HE2 LYS 31 lone 6 87 - 7 - 3892/7.0=2 HB3 LYS 91 - HE3 LYS 31 lone 5 93 - 5 - HB3 LYS 91 - HE2 LYS 31 lone 5 93 - 5 - HB3 GLU 51 - HE3 LYS 31 lone 5 97 - 5 - 5066/3.6=1 HB3 GLU 51 - HE2 LYS 31 lone 5 97 - 5 - 5066/3.6=1 HB3 LEU 73 - HE3 LYS 91 lone 4 99 - 4 - HB3 LEU 73 - HE2 LYS 91 lone 4 99 - 4 - HB3 LEU 73 - HE3 LYS 31 lone 3 100 - 3 - HB3 LEU 73 - HE2 LYS 31 lone 3 100 - 3 - HB3 GLU 51 - HE3 LYS 91 lone 3 95 - 3 - HB3 GLU 51 - HE2 LYS 91 lone 3 95 - 3 - HB3 ARG 27 - HE2 LYS 91 lone 2 68 - 3 - HB3 ARG 27 - HE3 LYS 91 lone 2 68 - 3 - HG2 LYS 78 - HE3 LYS 31 lone 2 63 - 3 - HG2 LYS 78 - HE2 LYS 31 lone 2 63 - 3 - HG2 LYS 78 - HE3 LYS 91 lone 1 60 - 2 - HG2 LYS 78 - HE2 LYS 91 lone 1 60 - 2 - HB2 LYS 14 - HE3 LYS 91 lone 1 63 - 2 - HB3 LYS 14 - HE2 LYS 91 lone 1 63 - 2 - HB3 LYS 14 - HE3 LYS 91 lone 1 63 - 2 - HB2 LYS 14 - HE2 LYS 91 lone 1 63 - 2 - HB2 LEU 30 - HE3 LYS 91 lone 1 84 - 1 - HB2 LEU 30 - HE2 LYS 91 lone 1 84 - 1 - HB2 LYS 14 - HE3 LYS 31 lone 1 65 - 1 - HB3 LYS 14 - HE3 LYS 31 lone 1 65 - 1 - HB2 LYS 14 - HE2 LYS 31 lone 1 65 - 1 - HB3 LYS 14 - HE2 LYS 31 lone 1 65 - 1 - Peak 2006 from cnoeabs.peaks (2.97, 2.97, 41.78 ppm; diagonal): 4 out of 4 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 HE3 LYS 91 + HE3 LYS 91 OK 99 99 - 100 HE2 LYS 91 + HE2 LYS 91 OK 99 99 - 100 Reference assignment not found: HE2 LYS 31 - HE3 LYS 31 Peak 2007 from cnoeabs.peaks (2.97, 2.97, 41.78 ppm; diagonal): 4 out of 4 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 HE3 LYS 91 + HE3 LYS 91 OK 98 98 - 100 HE2 LYS 91 + HE2 LYS 91 OK 98 98 - 100 Peak 2008 from cnoeabs.peaks (8.68, 4.95, 56.76 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 32 + HA TYR 32 OK 100 100 - 100 - 3.0=100 Peak 2009 from cnoeabs.peaks (4.95, 4.95, 56.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 32 + HA TYR 32 OK 100 100 - 100 Peak 2010 from cnoeabs.peaks (2.51, 4.95, 56.76 ppm; 3.63 A): 2 out of 4 assignments used, quality = 1.00: * HB2 TYR 32 + HA TYR 32 OK 100 100 - 100 - 3.0=100 HG2 MET 48 + HA TYR 32 OK 54 90 - 59 - 3.3/4893=9, 4912/3.7=8...(20) HE2 LYS 26 - HA TYR 32 OK 25 100 - 25 - 2022/3.0=4, 4540/3.7=4...(13) HE3 LYS 26 - HA TYR 32 OK 25 100 - 25 - 2022/3.0=4, 4540/3.7=4...(13) Peak 2011 from cnoeabs.peaks (2.86, 4.95, 56.76 ppm; 3.67 A): 1 out of 10 assignments used, quality = 1.00: * HB3 TYR 32 + HA TYR 32 OK 100 100 - 100 - 3.0=100 HE3 LYS 17 - HA TYR 32 OK 15 100 - 15 - 652/3.0=3, 2017/3.0=3...(7) HE2 LYS 17 - HA TYR 32 OK 14 97 - 14 - 2017/3.0=3, 652/3.0=3...(7) HB3 ASN 24 - HA TYR 32 OK 12 100 - 12 - 2017/3.0=2, 652/3.0=2...(4) HB2 ASN 18 - HA TYR 32 OK 12 100 - 12 - 2017/3.0=2, 145/3.6=2...(5) HB3 ASN 18 - HA TYR 32 OK 12 100 - 12 - 2017/3.0=2, 145/3.6=2...(5) HB3 ASN 63 - HA TYR 32 lone 8 99 - 8 - 2017/3.0=1, 652/3.0=1...(4) HE2 LYS 65 - HA TYR 32 lone 3 71 - 4 - HE3 LYS 65 - HA TYR 32 lone 2 60 - 3 - HB2 ASN 90 - HA TYR 32 lone 1 73 - 2 - Peak 2013 from cnoeabs.peaks (6.82, 4.95, 56.76 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 32 + HA TYR 32 OK 100 100 - 100 - 3.7=100 QE TYR 70 - HA TYR 32 OK 22 87 - 25 - 2019/3.0=5, 2025/3.0=5...(9) HE21 GLN 55 - HA TYR 32 OK 12 76 - 16 - 2019/3.0=3, 2025/3.0=3...(6) Peak 2014 from cnoeabs.peaks (8.68, 2.51, 39.34 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.99: * H TYR 32 + HB2 TYR 32 OK 99 100 - 99 - 4.0=97, 2020/1.8=41...(10) Peak 2015 from cnoeabs.peaks (4.95, 2.51, 39.34 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 32 + HB2 TYR 32 OK 100 100 - 100 - 3.0=100 HA LEU 34 - HB2 TYR 32 OK 11 57 - 19 - 143/4.7=5, 2021/1.8=4...(8) Peak 2016 from cnoeabs.peaks (2.51, 2.51, 39.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 32 + HB2 TYR 32 OK 100 100 - 100 Peak 2017 from cnoeabs.peaks (2.86, 2.51, 39.34 ppm; 2.99 A): 1 out of 10 assignments used, quality = 1.00: * HB3 TYR 32 + HB2 TYR 32 OK 100 100 - 100 - 1.8=100 HE3 LYS 17 - HB2 TYR 32 OK 13 100 - 13 - 4541/2.5=3, 2011/3.0=2...(6) HE2 LYS 17 - HB2 TYR 32 OK 13 97 - 13 - 4541/2.5=2, 2011/3.0=1...(6) HB3 ASN 24 - HB2 TYR 32 OK 10 100 - 10 - 4541/2.5=2, 2011/3.0=1 HB2 ASN 18 - HB2 TYR 32 lone 9 100 - 9 - 4541/2.5=2, 2011/3.0=1 HB3 ASN 18 - HB2 TYR 32 lone 9 100 - 9 - 4541/2.5=2, 2011/3.0=1 HB3 ASN 63 - HB2 TYR 32 lone 7 99 - 7 - 4541/2.5=1 HE2 LYS 65 - HB2 TYR 32 lone 2 71 - 3 - HE3 LYS 65 - HB2 TYR 32 lone 2 60 - 3 - HB2 ASN 90 - HB2 TYR 32 lone 1 73 - 1 - Peak 2018 from cnoeabs.peaks (6.67, 2.51, 39.34 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 32 + HB2 TYR 32 OK 100 100 - 100 - 4.4=100 Peak 2019 from cnoeabs.peaks (6.82, 2.51, 39.34 ppm; 3.45 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 32 + HB2 TYR 32 OK 100 100 - 100 - 2.5=100 QE TYR 70 - HB2 TYR 32 OK 21 87 - 24 - 2025/1.8=5, 2013/3.0=4...(7) HE21 GLN 55 - HB2 TYR 32 OK 12 76 - 16 - 2025/1.8=3, 2013/3.0=2...(6) Peak 2020 from cnoeabs.peaks (8.68, 2.86, 39.34 ppm; 3.66 A): 1 out of 1 assignment used, quality = 0.93: * H TYR 32 + HB3 TYR 32 OK 93 100 - 93 - 4.0=76, 4596/2.5=36...(9) Peak 2021 from cnoeabs.peaks (4.95, 2.86, 39.34 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 32 + HB3 TYR 32 OK 100 100 - 100 - 3.0=100 HA LEU 34 - HB3 TYR 32 OK 10 57 - 18 - 143/4.7=5, 2015/1.8=4...(7) Peak 2022 from cnoeabs.peaks (2.51, 2.86, 39.34 ppm; 2.99 A): 2 out of 4 assignments used, quality = 1.00: * HB2 TYR 32 + HB3 TYR 32 OK 100 100 - 100 - 1.8=100 HG2 MET 48 + HB3 TYR 32 OK 46 90 - 51 - 3.3/4884=9, 4540/2.5=7...(19) HE2 LYS 26 - HB3 TYR 32 OK 21 100 - 21 - 4540/2.5=4, 2010/3.0=2...(12) HE3 LYS 26 - HB3 TYR 32 OK 21 100 - 21 - 4540/2.5=4, 2010/3.0=2...(12) Peak 2023 from cnoeabs.peaks (2.86, 2.86, 39.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 32 + HB3 TYR 32 OK 100 100 - 100 Peak 2024 from cnoeabs.peaks (6.67, 2.86, 39.34 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 32 + HB3 TYR 32 OK 100 100 - 100 - 4.4=100 Peak 2025 from cnoeabs.peaks (6.82, 2.86, 39.34 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 32 + HB3 TYR 32 OK 100 100 - 100 - 2.5=100 QE TYR 70 - HB3 TYR 32 OK 19 87 - 22 - 2019/1.8=5, 2013/3.0=4...(7) HE21 GLN 55 - HB3 TYR 32 OK 12 76 - 15 - 2019/1.8=3, 2013/3.0=2...(6) Peak 2026 from cnoeabs.peaks (8.68, 6.67, 117.44 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.93: * H TYR 32 + QE TYR 32 OK 93 100 - 93 - 653=50, 4596/2.2=50...(12) Peak 2027 from cnoeabs.peaks (4.95, 6.67, 117.44 ppm; 6.14 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 32 + QE TYR 32 OK 100 100 - 100 - 5.7=100 HA LEU 34 - QE TYR 32 OK 15 56 - 27 - 4893/4924=7, 2015/4.4=4...(7) Peak 2028 from cnoeabs.peaks (2.51, 6.67, 117.44 ppm; 4.71 A): 4 out of 4 assignments used, quality = 1.00: * HB2 TYR 32 + QE TYR 32 OK 100 100 - 100 - 4.4=100 HG2 MET 48 + QE TYR 32 OK 72 89 - 80 - 3.3/4924=26, 4912/2.2=19...(20) HE2 LYS 26 + QE TYR 32 OK 53 100 - 53 - 3.0/4623=9, 4540/2.2=7...(20) HE3 LYS 26 + QE TYR 32 OK 53 99 - 53 - 3.0/4623=9, 4540/2.2=7...(20) Peak 2029 from cnoeabs.peaks (2.86, 6.67, 117.44 ppm; 5.10 A): 1 out of 10 assignments used, quality = 1.00: * HB3 TYR 32 + QE TYR 32 OK 100 100 - 100 - 4.4=100 HE3 LYS 17 - QE TYR 32 OK 33 100 - 33 - 2035/2.2=5, ~4541=4...(14) HE2 LYS 17 - QE TYR 32 OK 32 97 - 33 - 2035/2.2=5, ~4541=4...(14) HB3 ASN 24 - QE TYR 32 OK 22 100 - 22 - 2035/2.2=4, ~4598=3...(9) HB2 ASN 18 - QE TYR 32 OK 20 100 - 21 - 2035/2.2=4, ~2035=3...(8) HB3 ASN 18 - QE TYR 32 OK 20 99 - 21 - 2035/2.2=4, ~2035=3...(8) HB3 ASN 63 - QE TYR 32 OK 12 99 - 12 - 2035/2.2=3, 2017/4.4=2...(4) HE2 LYS 65 - QE TYR 32 lone 6 70 - 9 - 4884/4924=1, 5557/5528=1 HE3 LYS 65 - QE TYR 32 lone 5 59 - 8 - 4884/4924=1 HB2 ASN 90 - QE TYR 32 lone 3 72 - 4 - Peak 2030 from cnoeabs.peaks (6.67, 6.67, 117.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 32 + QE TYR 32 OK 100 100 - 100 Peak 2031 from cnoeabs.peaks (6.82, 6.67, 117.44 ppm; 2.89 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 32 + QE TYR 32 OK 100 100 - 100 - 2.2=100 QE TYR 70 - QE TYR 32 OK 18 86 - 21 - 2019/4.4=2, ~3147=2...(9) HE21 GLN 55 - QE TYR 32 OK 12 75 - 17 - 5518/4615=1, 5637/5638=1...(4) Peak 2032 from cnoeabs.peaks (8.68, 6.82, 132.83 ppm; 4.75 A): 1 out of 1 assignment used, quality = 0.98: * H TYR 32 + QD TYR 32 OK 98 98 - 100 - 4.4=100 Peak 2034 from cnoeabs.peaks (2.51, 6.82, 132.83 ppm; 4.94 A): 4 out of 4 assignments used, quality = 1.00: * HB2 TYR 32 + QD TYR 32 OK 98 98 - 100 - 2.5=100 HG2 MET 48 + QD TYR 32 OK 81 86 - 94 - 3.3/4925=27, 4912=22...(29) HE2 LYS 26 + QD TYR 32 OK 61 98 - 62 - 4617/2.2=8, 4.9/4609=6...(23) HE3 LYS 26 + QD TYR 32 OK 61 97 - 62 - 4617/2.2=8, 4.9/4609=6...(23) Peak 2035 from cnoeabs.peaks (2.86, 6.82, 132.83 ppm; 4.79 A): 1 out of 10 assignments used, quality = 0.98: * HB3 TYR 32 + QD TYR 32 OK 98 98 - 100 - 2.5=100 HE3 LYS 17 - QD TYR 32 OK 36 98 - 37 - 4616/2.2=5, 2017/2.5=4...(13) HE2 LYS 17 - QD TYR 32 OK 34 94 - 37 - 4616/2.2=5, 2017/2.5=4...(13) HB3 ASN 24 - QD TYR 32 OK 25 98 - 26 - 3.0/4598=4, 4616/2.2=3...(11) HB2 ASN 18 - QD TYR 32 OK 24 98 - 24 - 4616/2.2=3, 2017/2.5=3...(9) HB3 ASN 18 - QD TYR 32 OK 24 97 - 24 - 4616/2.2=3, 2017/2.5=3...(9) HB3 ASN 63 - QD TYR 32 OK 17 97 - 17 - 3.0/4603=2, 2017/2.5=2...(9) HE2 LYS 65 - QD TYR 32 lone 6 67 - 10 - 4884/4925=1 HE3 LYS 65 - QD TYR 32 lone 5 56 - 9 - HB2 ASN 90 - QD TYR 32 lone 3 69 - 4 - Peak 2036 from cnoeabs.peaks (6.67, 6.82, 132.83 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.98: * QE TYR 32 + QD TYR 32 OK 98 98 - 100 - 2.2=100 Peak 2037 from cnoeabs.peaks (6.82, 6.82, 132.83 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * QD TYR 32 + QD TYR 32 OK 98 98 - 100 Peak 2038 from cnoeabs.peaks (9.44, 4.63, 54.21 ppm; 3.63 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 33 + HA GLU 33 OK 100 100 - 100 - 2.9=100 H GLU 49 - HA GLU 33 OK 45 97 - 47 - 2044/3.0=11, 2050/3.0=9...(11) H GLU 33 - HA ASP 82 OK 17 92 - 18 - 656=4, 4639/3.6=3...(5) H GLU 49 - HA ASP 82 lone 2 86 - 3 - Peak 2039 from cnoeabs.peaks (4.63, 4.63, 54.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 33 + HA GLU 33 OK 100 100 - 100 HA ASP 82 + HA ASP 82 OK 80 80 - 100 Peak 2040 from cnoeabs.peaks (1.94, 4.63, 54.21 ppm; 3.17 A): 1 out of 30 assignments used, quality = 1.00: * HB2 GLU 33 + HA GLU 33 OK 100 100 - 100 - 3.0=100 QE MET 48 - HA GLU 33 OK 36 96 - 38 - 3962/2.9=9, 4891=9...(10) HB3 PRO 81 - HA ASP 82 OK 34 55 - 62 - 4.8=28, ~387=9, ~386=9...(16) HB2 GLU 77 - HA GLU 33 OK 26 90 - 29 - 1.8/2043=5, 3.0/2042=3...(13) HG3 GLU 49 - HA GLU 33 OK 23 90 - 26 - 2475/2.9=5, ~2469=4...(9) HG3 PRO 81 - HA ASP 82 OK 22 64 - 35 - ~387=7, ~391=5...(10) HB2 LEU 76 - HA ASP 82 OK 19 91 - 20 - 3222/3.0=5, ~3229=3...(9) HB3 GLU 22 - HA GLU 33 OK 18 100 - 18 - 3.0/2043=2, 2052/3.0=2...(7) HB2 LEU 76 - HA GLU 33 OK 17 100 - 17 - 3226/3.0=2, 1.8/4650=2...(7) HB2 GLU 33 - HA ASP 82 OK 14 92 - 15 - 2045=3, 1.8/2051=2...(5) HG3 PRO 84 - HA ASP 82 OK 12 90 - 13 - 5949/4.9=4, 2.3/4347=3...(5) HB VAL 47 - HA GLU 33 OK 12 96 - 12 - ~4654=2, 150/3.6=2...(5) HB2 GLN 58 - HA GLU 33 OK 10 87 - 12 - ~5290=2, ~5292=2...(4) HB2 GLU 51 - HA GLU 33 poor 10 71 - 14 - 3.9/4109=2, 3.0/2041=1...(5) HG2 PRO 19 - HA ASP 82 lone 7 77 - 9 - 2.3/4347=2, ~389=1...(4) HB VAL 20 - HA GLU 33 lone 5 100 - 5 - HG2 PRO 19 - HA GLU 33 lone 5 89 - 6 - 2.3/4347=1, 2.3/4345=1 HB VAL 47 - HA ASP 82 lone 5 84 - 6 - ~5924=2, ~6051=1, 390/3.0=1 HG3 PRO 84 - HA GLU 33 lone 4 99 - 4 - HB VAL 20 - HA ASP 82 lone 4 91 - 5 - ~391=2 HB2 GLN 58 - HA ASP 82 lone 4 75 - 6 - 3478/4.8=1, 4106/3.0=1, ~387=1 HB2 GLU 77 - HA ASP 82 lone 4 78 - 5 - HD2 LYS 78 - HA GLU 33 lone 4 78 - 5 - QE MET 48 - HA ASP 82 lone 3 84 - 4 - HB2 GLU 51 - HA ASP 82 lone 3 59 - 5 - 2507/3.6=3 HB3 GLU 22 - HA ASP 82 lone 3 92 - 3 - HB3 PRO 81 - HA GLU 33 lone 3 65 - 4 - 3.9/904=1 HD2 LYS 78 - HA ASP 82 lone 2 66 - 3 - 390/3.0=1 HG3 GLU 49 - HA ASP 82 lone 2 78 - 3 - HG3 PRO 81 - HA GLU 33 lone 2 76 - 3 - Peak 2041 from cnoeabs.peaks (1.81, 4.63, 54.21 ppm; 3.21 A): 1 out of 28 assignments used, quality = 1.00: * HB3 GLU 33 + HA GLU 33 OK 100 100 - 100 - 3.0=100 HB2 MET 48 - HA GLU 33 OK 34 81 - 42 - ~4644=7, 4.0/4891=5...(15) HG LEU 76 - HA ASP 82 OK 18 89 - 20 - 3236/3.0=5, ~3250=3...(9) HB2 LYS 44 - HA GLU 33 OK 17 100 - 17 - 2051=2, 2047/3.0=2...(8) HG LEU 76 - HA GLU 33 OK 16 99 - 17 - 2047/3.0=2, 3.0/4650=1...(6) HG3 GLU 51 - HA GLU 33 OK 16 99 - 16 - 658/2.9=2, 2047/3.0=2...(7) HG2 GLU 51 - HA GLU 33 OK 16 99 - 16 - 658/2.9=2, 2047/3.0=2...(7) HB3 GLU 33 - HA ASP 82 OK 14 92 - 15 - 2051=2, 1.8/2045=2...(5) HB2 GLU 22 - HA GLU 33 OK 10 63 - 16 - 3.0/2043=2, 2047/3.0=2...(4) HB2 LYS 31 - HA GLU 33 poor 7 63 - 11 - 658/2.9=2, 2047/3.0=1...(5) HB2 GLU 37 - HA GLU 33 lone 5 100 - 5 - HB2 LYS 65 - HA GLU 33 lone 4 65 - 6 - 3.8/5452=1 HB VAL 66 - HA GLU 33 lone 4 63 - 6 - ~4652=3 HB2 LYS 44 - HA ASP 82 lone 3 92 - 4 - HG3 GLU 51 - HA ASP 82 lone 3 90 - 4 - 2525/3.6=2 HG2 GLU 51 - HA ASP 82 lone 3 89 - 4 - 2525/3.6=2 HG3 GLU 37 - HA GLU 33 lone 3 65 - 4 - 3958/2.9=1 HB2 MET 48 - HA ASP 82 lone 1 69 - 2 - HB2 LYS 91 - HA GLU 33 lone 1 78 - 2 - HB2 ARG 28 - HA ASP 82 lone 1 52 - 2 - HB2 GLU 37 - HA ASP 82 lone 1 92 - 1 - HB2 GLU 22 - HA ASP 82 lone 1 52 - 2 - HB2 LYS 31 - HA ASP 82 lone 1 52 - 2 - HB2 ARG 28 - HA GLU 33 lone 1 63 - 1 - HB2 LYS 65 - HA ASP 82 lone 1 55 - 1 - HG3 GLU 37 - HA ASP 82 lone 0 55 - 1 - HB VAL 66 - HA ASP 82 lone 0 52 - 1 - HB2 LYS 91 - HA ASP 82 lone 0 66 - 1 - Peak 2042 from cnoeabs.peaks (2.22, 4.63, 54.21 ppm; 4.74 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 33 + HA GLU 33 OK 100 100 - 100 - 4.2=100 HG2 GLU 77 + HA GLU 33 OK 54 100 - 54 - 2048/3.0=11, 2054/3.0=9...(15) HE2 LYS 68 - HA GLU 33 OK 31 99 - 32 - 659/2.9=9, 152/3.6=8...(6) HG2 GLU 33 - HA ASP 82 OK 17 92 - 19 - 1.8/2063=3, 2057=3...(5) HG2 GLU 25 - HA GLU 33 OK 17 100 - 16 - 2048/3.0=3, 152/3.6=2...(7) HG2 GLU 77 - HA ASP 82 OK 11 92 - 12 - 5792/3.0=3, ~5791=3...(4) HE2 LYS 68 - HA ASP 82 lone 5 90 - 5 - ~5923=1 HG2 GLU 25 - HA ASP 82 lone 4 91 - 4 - Peak 2043 from cnoeabs.peaks (2.06, 4.63, 54.21 ppm; 3.62 A): 2 out of 16 assignments used, quality = 0.93: * HG3 GLU 33 + HA GLU 33 OK 88 100 - 88 - 4.2=65, 2049/3.0=17...(12) HB3 GLU 77 + HA GLU 33 OK 38 99 - 38 - 2049/3.0=7, 2055/3.0=5...(16) HG2 GLU 22 - HA GLU 33 OK 22 99 - 22 - 2049/3.0=4, 2055/3.0=3...(9) HG3 GLU 33 - HA ASP 82 OK 12 92 - 13 - 2063=3, 3.0/2045=2...(5) HA ALA 75 - HA ASP 82 OK 12 89 - 13 - 4074/3.0=4, ~4075=2...(5) HB2 MET 21 - HA GLU 33 OK 11 100 - 11 - 2049/3.0=2, 2055/3.0=1...(4) HA ALA 75 - HA GLU 33 OK 10 99 - 11 - 153/3.6=2, 2049/3.0=2...(5) QE MET 21 - HA GLU 33 lone 9 100 - 9 - 2049/3.0=2, 6155/3.6=1...(4) HB3 GLU 77 - HA ASP 82 lone 6 89 - 7 - ~5791=1, ~5792=1 HG3 GLN 55 - HA GLU 33 lone 5 78 - 6 - 153/3.6=1, 660/2.9=1 HB2 GLN 55 - HA GLU 33 lone 4 76 - 6 - 153/3.6=1 HG2 GLU 22 - HA ASP 82 lone 3 89 - 3 - HB2 GLN 55 - HA ASP 82 lone 1 64 - 2 - HB2 MET 21 - HA ASP 82 lone 1 92 - 1 - QE MET 21 - HA ASP 82 lone 1 91 - 1 - HG3 GLN 55 - HA ASP 82 lone 1 66 - 1 - Peak 2044 from cnoeabs.peaks (9.44, 1.94, 32.61 ppm; 3.54 A): 2 out of 2 assignments used, quality = 0.95: * H GLU 33 + HB2 GLU 33 OK 90 100 - 90 - 4.1=66, 2050/1.8=22...(16) H GLU 49 + HB2 GLU 33 OK 57 97 - 59 - 2050/1.8=12, 2056/3.0=8...(19) Peak 2045 from cnoeabs.peaks (4.63, 1.94, 32.61 ppm; 3.47 A): 1 out of 11 assignments used, quality = 1.00: * HA GLU 33 + HB2 GLU 33 OK 100 100 - 100 - 3.0=100 HA PHE 57 - HB2 GLU 33 OK 27 83 - 32 - 2.9/3912=6, 2051/1.8=4...(12) HA ASP 82 - HB2 GLU 33 OK 15 92 - 16 - 2051/1.8=2, 2038/4.1=2...(6) HA THR 38 - HB2 GLU 33 OK 13 83 - 15 - 3.2/4652=7, 2051/1.8=2...(5) HA LYS 56 - HB2 GLU 33 OK 13 60 - 21 - 3.6/3912=5, 149/4.2=3...(7) HA ARG 27 - HB2 GLU 33 poor 9 92 - 10 - 2063/3.0=1, 2057/3.0=1...(4) HA LEU 12 - HB2 GLU 33 poor 9 71 - 13 - 4.0/4653=5, 1165/4653=1 HA ASN 24 - HB2 GLU 33 lone 7 100 - 7 - 2051/1.8=1, 2057/3.0=1 HA ASN 63 - HB2 GLU 33 lone 5 97 - 5 - HA HIS 42 - HB2 GLU 33 lone 3 100 - 3 - HA ASP 43 - HB2 GLU 33 lone 2 65 - 3 - Peak 2046 from cnoeabs.peaks (1.94, 1.94, 32.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 33 + HB2 GLU 33 OK 100 100 - 100 Peak 2047 from cnoeabs.peaks (1.81, 1.94, 32.61 ppm; 2.46 A): 1 out of 14 assignments used, quality = 1.00: * HB3 GLU 33 + HB2 GLU 33 OK 100 100 - 100 - 1.8=100 HB2 MET 48 - HB2 GLU 33 OK 16 81 - 20 - 4.7/2044=3, 658/4.1=2...(11) HG LEU 76 - HB2 GLU 33 OK 14 99 - 14 - 2.1/3245=1, 3238=1...(5) HG3 GLU 51 - HB2 GLU 33 OK 12 99 - 12 - 2065/3.0=1, 2059/3.0=1 HG2 GLU 51 - HB2 GLU 33 OK 12 99 - 12 - 2065/3.0=1, 2059/3.0=1 HB2 LYS 44 - HB2 GLU 33 OK 11 100 - 11 - 2052=2, 2065/3.0=1...(4) HB2 GLU 22 - HB2 GLU 33 poor 10 63 - 15 - 3.0/2049=2, 1557=1, 3.0/1575=1 HB2 LYS 31 - HB2 GLU 33 poor 9 63 - 15 - ~6034=2, 4.1/4607=2...(6) HB VAL 66 - HB2 GLU 33 lone 3 63 - 5 - 2.1/4652=3 HB2 GLU 37 - HB2 GLU 33 lone 3 100 - 3 - HB2 LYS 65 - HB2 GLU 33 lone 2 65 - 4 - HG3 GLU 37 - HB2 GLU 33 lone 2 65 - 3 - HB2 LYS 91 - HB2 GLU 33 lone 1 78 - 1 - HB2 ARG 28 - HB2 GLU 33 lone 0 63 - 1 - Peak 2048 from cnoeabs.peaks (2.22, 1.94, 32.61 ppm; 3.44 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 33 + HB2 GLU 33 OK 100 100 - 100 - 3.0=100 HG2 GLU 77 + HB2 GLU 33 OK 48 100 - 48 - 2054/1.8=8, 3.0/2049=6...(20) HE2 LYS 68 - HB2 GLU 33 OK 31 99 - 32 - 3.7/4654=4, 2054/1.8=4...(12) HG2 GLU 25 - HB2 GLU 33 OK 13 100 - 12 - 2054/1.8=2, 2066/3.0=1...(5) Peak 2049 from cnoeabs.peaks (2.06, 1.94, 32.61 ppm; 2.86 A): 2 out of 8 assignments used, quality = 0.94: * HG3 GLU 33 + HB2 GLU 33 OK 91 100 - 91 - 3.0=87, 2063/3.0=8...(8) HB3 GLU 77 + HB2 GLU 33 OK 38 99 - 39 - 2055/1.8=5, 3.0/2048=4...(16) HG2 GLU 22 - HB2 GLU 33 OK 24 99 - 24 - 1569=4, 2055/1.8=3...(9) HB2 MET 21 - HB2 GLU 33 OK 10 100 - 10 - 2055/1.8=1 HA ALA 75 - HB2 GLU 33 lone 8 99 - 8 - 2055/1.8=1 QE MET 21 - HB2 GLU 33 lone 8 100 - 8 - 2055/1.8=1 HG3 GLN 55 - HB2 GLU 33 lone 3 78 - 4 - HB2 GLN 55 - HB2 GLU 33 lone 3 76 - 4 - Peak 2050 from cnoeabs.peaks (9.44, 1.81, 32.61 ppm; 3.40 A): 2 out of 4 assignments used, quality = 0.91: * H GLU 33 + HB3 GLU 33 OK 84 100 - 84 - 4.1=59, 2044/1.8=21...(12) H GLU 49 + HB3 GLU 33 OK 46 97 - 48 - 2044/1.8=13, 2056/3.0=8...(10) H GLU 33 - HB2 LYS 44 poor 10 75 - 13 - 658=3, 2.9/2041=2...(6) H GLU 49 - HB2 LYS 44 poor 7 69 - 10 - 205=1, 6182/2.9=1, 6183/2.9=1 Peak 2051 from cnoeabs.peaks (4.63, 1.81, 32.61 ppm; 3.47 A): 1 out of 22 assignments used, quality = 1.00: * HA GLU 33 + HB3 GLU 33 OK 100 100 - 100 - 3.0=100 HA PHE 57 - HB3 GLU 33 OK 26 83 - 32 - 2045/1.8=5, 2.9/3913=4...(11) HA ASP 82 - HB3 GLU 33 OK 16 92 - 17 - 2045/1.8=3, 2041=2...(6) HA GLU 33 - HB2 LYS 44 OK 15 75 - 20 - 2041=3, 3.0/2047=2...(8) HA LYS 56 - HB3 GLU 33 OK 13 60 - 21 - 3.6/3913=4, 149/4.2=3...(8) HA THR 38 - HB3 GLU 33 OK 11 83 - 14 - ~4652=4, 2045/1.8=2...(5) HA LYS 56 - HB2 LYS 44 OK 11 38 - 29 - ~2270=3, 4.0/5216=3...(16) HA ARG 27 - HB3 GLU 33 poor 9 92 - 10 - 2045/1.8=2, 2063/3.0=1...(4) HA ASN 24 - HB3 GLU 33 lone 8 100 - 8 - 2045/1.8=1, 2.9/4492=1 HA ASN 63 - HB3 GLU 33 lone 7 97 - 7 - HA ASN 63 - HB2 LYS 44 lone 6 70 - 8 - 4.4/5400=3, 4.4/5398=2 HA LEU 12 - HB3 GLU 33 lone 5 71 - 7 - 2045/1.8=2 HA ARG 27 - HB2 LYS 44 lone 5 63 - 8 - HA LEU 12 - HB2 LYS 44 poor 5 46 - 11 - ~4261=1, ~4259=1, ~7=1 HA ASP 43 - HB2 LYS 44 poor 5 42 - 12 - 3.6/701=11 HA THR 38 - HB2 LYS 44 lone 4 55 - 8 - ~4784=3, 3.0/174=2 HA PHE 57 - HB2 LYS 44 lone 3 55 - 6 - 2.9/3913=1 HA ASP 43 - HB3 GLU 33 lone 3 65 - 4 - 3.6/701=2 HA HIS 42 - HB3 GLU 33 lone 3 100 - 3 - HA ASP 82 - HB2 LYS 44 lone 3 63 - 4 - HA ASN 24 - HB2 LYS 44 lone 2 74 - 3 - HA HIS 42 - HB2 LYS 44 lone 1 75 - 2 - Peak 2052 from cnoeabs.peaks (1.94, 1.81, 32.61 ppm; 2.49 A): 1 out of 30 assignments used, quality = 1.00: * HB2 GLU 33 + HB3 GLU 33 OK 100 100 - 100 - 1.8=100 HB2 GLU 77 - HB3 GLU 33 OK 24 90 - 27 - 1.8/2055=4, 3.0/2054=3...(11) QE MET 48 - HB3 GLU 33 OK 20 96 - 21 - 4920/4.2=4, 4891/3.0=4...(6) HB2 LEU 76 - HB3 GLU 33 OK 16 100 - 16 - 3226=1, 3.1/3254=1...(8) HB3 GLU 22 - HB3 GLU 33 OK 15 100 - 15 - 3.0/2055=2, 2064/3.0=1 HG3 GLU 49 - HB3 GLU 33 OK 11 90 - 12 - 2475/4.1=2, 5.0/2050=2...(4) HB VAL 47 - HB3 GLU 33 lone 9 96 - 10 - ~4654=2 HB2 GLU 33 - HB2 LYS 44 poor 9 75 - 12 - 2047=3, 3.0/2065=1...(4) HB2 GLU 51 - HB3 GLU 33 poor 8 71 - 12 - 1.8/2518=1, 2512=1 HB VAL 20 - HB3 GLU 33 lone 5 100 - 5 - HB2 GLN 58 - HB3 GLU 33 lone 4 87 - 4 - 2.9/6044=1 QE MET 48 - HB2 LYS 44 lone 4 67 - 5 - HB2 GLU 51 - HB2 LYS 44 lone 4 46 - 8 - 1.8/2518=1 HD2 LYS 78 - HB3 GLU 33 lone 3 78 - 4 - HB2 LEU 76 - HB2 LYS 44 lone 3 74 - 3 - HG2 PRO 19 - HB3 GLU 33 lone 3 89 - 3 - HG3 PRO 84 - HB3 GLU 33 lone 3 99 - 2 - HB VAL 47 - HB2 LYS 44 lone 2 67 - 3 - 5970/4.0=2 HG3 GLU 49 - HB2 LYS 44 lone 2 62 - 3 - HB3 PRO 81 - HB3 GLU 33 lone 1 65 - 2 - HB2 GLN 58 - HB2 LYS 44 lone 1 59 - 2 - 2.9/6044=1 HG3 PRO 81 - HB3 GLU 33 lone 1 76 - 2 - HG2 PRO 19 - HB2 LYS 44 lone 1 60 - 2 - HB VAL 20 - HB2 LYS 44 lone 1 74 - 2 - HB3 GLU 22 - HB2 LYS 44 lone 1 75 - 1 - HB2 GLU 77 - HB2 LYS 44 lone 1 62 - 1 - HG3 PRO 84 - HB2 LYS 44 lone 0 73 - 1 - HD2 LYS 78 - HB2 LYS 44 lone 0 51 - 1 - HB3 PRO 81 - HB2 LYS 44 lone 0 42 - 1 - HG3 PRO 81 - HB2 LYS 44 lone 0 50 - 0 - Peak 2053 from cnoeabs.peaks (1.81, 1.81, 32.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 33 + HB3 GLU 33 OK 100 100 - 100 HB2 LYS 44 + HB2 LYS 44 OK 75 75 - 100 Peak 2054 from cnoeabs.peaks (2.22, 1.81, 32.61 ppm; 3.49 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 33 + HB3 GLU 33 OK 100 100 - 100 - 3.0=100 HG2 GLU 77 + HB3 GLU 33 OK 45 100 - 45 - 2048/1.8=9, 2066/3.0=6...(19) HE2 LYS 68 - HB3 GLU 33 OK 24 99 - 24 - 2048/1.8=6, 659/4.1=4...(6) HG2 GLU 33 - HB2 LYS 44 OK 17 75 - 22 - 2059=4, 1.8/2065=3...(7) HG2 GLU 25 - HB3 GLU 33 OK 11 100 - 11 - 2048/1.8=2, 2066/3.0=1...(5) HE2 LYS 68 - HB2 LYS 44 lone 6 73 - 9 - 3096/3.7=2, 3097/2.9=2 HG2 GLU 77 - HB2 LYS 44 lone 2 75 - 2 - HG2 GLU 25 - HB2 LYS 44 lone 1 74 - 2 - Peak 2055 from cnoeabs.peaks (2.06, 1.81, 32.61 ppm; 3.23 A): 1 out of 16 assignments used, quality = 1.00: * HG3 GLU 33 + HB3 GLU 33 OK 100 100 - 100 - 3.0=100 HB3 GLU 77 - HB3 GLU 33 OK 44 99 - 45 - 2049/1.8=8, 2061/3.0=5...(19) HG2 GLU 22 - HB3 GLU 33 OK 26 99 - 26 - 2049/1.8=5, 1568=2...(9) HG3 GLU 33 - HB2 LYS 44 OK 15 75 - 20 - 2065=4, 1.8/2059=3...(7) QE MET 21 - HB2 LYS 44 OK 14 74 - 19 - 4444/1.8=11, 1545/4.8=3...(5) HB2 MET 21 - HB3 GLU 33 OK 11 100 - 11 - 2049/1.8=2, 2061/3.0=1 HA ALA 75 - HB3 GLU 33 OK 10 99 - 11 - 3.6/871=2, 2049/1.8=2...(4) QE MET 21 - HB3 GLU 33 lone 9 100 - 9 - 2049/1.8=2, 6155/4.2=1 HB2 MET 21 - HB2 LYS 44 lone 6 75 - 9 - ~2274=3, ~2284=2...(4) HG3 GLN 55 - HB3 GLU 33 lone 3 78 - 4 - HB2 GLN 55 - HB3 GLU 33 lone 3 76 - 4 - HG2 GLU 22 - HB2 LYS 44 lone 2 72 - 2 - HA ALA 75 - HB2 LYS 44 lone 2 72 - 2 - HB3 GLU 77 - HB2 LYS 44 lone 1 72 - 2 - HB2 GLN 55 - HB2 LYS 44 lone 1 50 - 1 - HG3 GLN 55 - HB2 LYS 44 lone 0 51 - 1 - Peak 2056 from cnoeabs.peaks (9.44, 2.22, 35.42 ppm; 4.00 A): 2 out of 2 assignments used, quality = 0.94: * H GLU 33 + HG2 GLU 33 OK 89 100 - 89 - 5.1=49, 2062/1.8=25...(12) H GLU 49 + HG2 GLU 33 OK 50 97 - 52 - 2062/1.8=13, 2044/3.0=13...(14) Peak 2057 from cnoeabs.peaks (4.63, 2.22, 35.42 ppm; 3.87 A): 1 out of 11 assignments used, quality = 0.94: * HA GLU 33 + HG2 GLU 33 OK 94 100 - 94 - 4.2=79, 2063/1.8=19...(13) HA PHE 57 - HG2 GLU 33 OK 27 83 - 32 - 2.9/3914=7, 2063/1.8=5...(11) HA ASP 82 - HG2 GLU 33 OK 12 92 - 13 - 2063/1.8=3, 2045/3.0=2...(5) HA ARG 27 - HG2 GLU 33 OK 12 92 - 13 - 2063/1.8=2, 3.0/4661=2...(6) HA LYS 56 - HG2 GLU 33 OK 12 60 - 20 - 3.6/3914=6, 2063/1.8=2...(7) HA THR 38 - HG2 GLU 33 OK 10 83 - 13 - ~4652=4, 2063/1.8=2...(4) HA ASN 24 - HG2 GLU 33 lone 8 100 - 8 - 2063/1.8=2, 3.6/601=1 HA LEU 12 - HG2 GLU 33 poor 8 71 - 11 - 4.0/4658=5, 2063/1.8=2...(4) HA ASN 63 - HG2 GLU 33 lone 5 97 - 5 - HA HIS 42 - HG2 GLU 33 lone 3 100 - 3 - HA ASP 43 - HG2 GLU 33 lone 2 65 - 2 - Peak 2058 from cnoeabs.peaks (1.94, 2.22, 35.42 ppm; 3.08 A): 1 out of 15 assignments used, quality = 1.00: * HB2 GLU 33 + HG2 GLU 33 OK 100 100 - 100 - 3.0=100 HB2 GLU 77 - HG2 GLU 33 OK 37 90 - 41 - 1.8/2061=7, 3267=6...(16) HB3 GLU 22 - HG2 GLU 33 OK 23 100 - 23 - 2064/1.8=3, 3267=3...(7) QE MET 48 - HG2 GLU 33 OK 23 96 - 24 - 4891/4.2=5, 3962/5.1=4...(8) HB2 LEU 76 - HG2 GLU 33 OK 18 100 - 18 - 2064/1.8=2, 4.6/878=2...(6) HG3 GLU 49 - HG2 GLU 33 OK 15 90 - 17 - 5.0/2056=3, 2475/5.1=3...(6) HB VAL 47 - HG2 GLU 33 OK 15 96 - 15 - 2.1/4657=2, ~4663=2...(6) HB2 GLU 51 - HG2 GLU 33 OK 11 71 - 16 - ~4666=2, 1.8/4661=2...(5) HB VAL 20 - HG2 GLU 33 OK 10 100 - 10 - 2.1/4395=3, 2.1/4399=2 HD2 LYS 78 - HG2 GLU 33 lone 7 78 - 9 - 2.9/4661=2, 4.7/5818=1...(5) HB2 GLN 58 - HG2 GLU 33 lone 4 87 - 5 - HG3 PRO 84 - HG2 GLU 33 lone 3 99 - 3 - HG2 PRO 19 - HG2 GLU 33 lone 3 89 - 3 - HG3 PRO 81 - HG2 GLU 33 lone 2 76 - 3 - HB3 PRO 81 - HG2 GLU 33 lone 2 65 - 3 - Peak 2059 from cnoeabs.peaks (1.81, 2.22, 35.42 ppm; 3.15 A): 1 out of 14 assignments used, quality = 1.00: * HB3 GLU 33 + HG2 GLU 33 OK 100 100 - 100 - 3.0=100 HB2 MET 48 - HG2 GLU 33 OK 18 81 - 23 - 4.7/2056=4, 2065/1.8=3...(8) HB2 LYS 44 - HG2 GLU 33 OK 18 100 - 18 - 2054=3, 2065/1.8=3...(6) HG3 GLU 51 - HG2 GLU 33 OK 17 99 - 17 - 2065/1.8=3, 2047/3.0=2...(6) HG2 GLU 51 - HG2 GLU 33 OK 17 99 - 17 - 2065/1.8=3, 2047/3.0=2...(6) HB2 LYS 31 - HG2 GLU 33 OK 17 63 - 28 - ~6034=5, 1.8/4661=4...(10) HG LEU 76 - HG2 GLU 33 OK 17 99 - 17 - 2065/1.8=3, 2047/3.0=2...(4) HB2 GLU 22 - HG2 GLU 33 OK 13 63 - 21 - 1.8/2058=3, 3.0/2061=2...(5) HB2 LYS 65 - HG2 GLU 33 lone 5 65 - 8 - 1.8/4661=1 HB VAL 66 - HG2 GLU 33 lone 4 63 - 6 - ~4652=3 HB2 GLU 37 - HG2 GLU 33 lone 3 100 - 3 - HG3 GLU 37 - HG2 GLU 33 lone 2 65 - 4 - HB2 LYS 91 - HG2 GLU 33 lone 2 78 - 2 - HB2 ARG 28 - HG2 GLU 33 lone 1 63 - 1 - Peak 2060 from cnoeabs.peaks (2.22, 2.22, 35.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 33 + HG2 GLU 33 OK 100 100 - 100 Peak 2061 from cnoeabs.peaks (2.06, 2.22, 35.42 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLU 33 + HG2 GLU 33 OK 100 100 - 100 - 1.8=100 HB3 GLU 77 - HG2 GLU 33 OK 25 99 - 26 - 2049/3.0=3, 3273=3...(10) HG2 GLU 22 - HG2 GLU 33 OK 11 99 - 11 - 2049/3.0=2, 2055/3.0=1 HB2 MET 21 - HG2 GLU 33 lone 5 100 - 5 - HA ALA 75 - HG2 GLU 33 lone 4 99 - 4 - QE MET 21 - HG2 GLU 33 lone 4 100 - 4 - HG3 GLN 55 - HG2 GLU 33 lone 1 78 - 2 - HB2 GLN 55 - HG2 GLU 33 lone 1 76 - 2 - Peak 2062 from cnoeabs.peaks (9.44, 2.06, 35.42 ppm; 3.92 A): 2 out of 2 assignments used, quality = 0.93: * H GLU 33 + HG3 GLU 33 OK 87 100 - 87 - 5.1=46, 2056/1.8=23...(10) H GLU 49 + HG3 GLU 33 OK 46 97 - 48 - 2056/1.8=13, 2044/3.0=13...(11) Peak 2063 from cnoeabs.peaks (4.63, 2.06, 35.42 ppm; 3.77 A): 2 out of 11 assignments used, quality = 0.94: * HA GLU 33 + HG3 GLU 33 OK 92 100 - 92 - 4.2=73, 3.0/2049=18...(12) HA PHE 57 + HG3 GLU 33 OK 25 83 - 30 - 2.9/3915=6, 2057/1.8=5...(10) HA ASP 82 - HG3 GLU 33 OK 12 92 - 13 - 2043=3, 2045/3.0=2...(5) HA LYS 56 - HG3 GLU 33 OK 12 60 - 20 - 3.6/3915=5, 2057/1.8=2...(7) HA ARG 27 - HG3 GLU 33 OK 11 92 - 12 - 2057/1.8=2, 3.0/4666=2...(6) HA THR 38 - HG3 GLU 33 poor 10 83 - 12 - ~4652=4, 2045/3.0=2...(5) HA LEU 12 - HG3 GLU 33 poor 7 71 - 10 - 4.0/4662=4, 2057/1.8=2 HA ASN 24 - HG3 GLU 33 lone 7 100 - 7 - 2057/1.8=2, 2045/3.0=1 HA ASN 63 - HG3 GLU 33 lone 4 97 - 4 - HA HIS 42 - HG3 GLU 33 lone 3 100 - 3 - HA ASP 43 - HG3 GLU 33 lone 1 65 - 2 - Peak 2064 from cnoeabs.peaks (1.94, 2.06, 35.42 ppm; 2.91 A): 1 out of 15 assignments used, quality = 0.94: * HB2 GLU 33 + HG3 GLU 33 OK 94 100 - 94 - 3.0=92, 3.0/2063=8...(8) HB2 GLU 77 - HG3 GLU 33 OK 32 90 - 36 - 3.0/2066=4, 2058/1.8=4...(17) HB3 GLU 22 - HG3 GLU 33 OK 20 100 - 20 - 2058/1.8=3, 1.8/1558=2...(6) QE MET 48 - HG3 GLU 33 OK 19 96 - 19 - 4891/4.2=4, 3962/5.1=4...(7) HB2 LEU 76 - HG3 GLU 33 OK 17 100 - 17 - 2058/1.8=2, 3226/3.0=2...(5) HB VAL 47 - HG3 GLU 33 OK 13 96 - 14 - 2.1/4663=3, 2.1/4663=2...(5) HG3 GLU 49 - HG3 GLU 33 OK 13 90 - 15 - 5.0/2062=3, 2475/5.1=3...(5) HB2 GLU 51 - HG3 GLU 33 poor 10 71 - 14 - 1.8/4666=2, 3.0/2065=2...(5) HB VAL 20 - HG3 GLU 33 lone 8 100 - 8 - ~4395=2, ~4399=1, 2058/1.8=1 HD2 LYS 78 - HG3 GLU 33 lone 8 78 - 10 - 3.7/4237=2, 3.7/4239=2...(4) HB2 GLN 58 - HG3 GLU 33 lone 4 87 - 4 - HG3 PRO 84 - HG3 GLU 33 lone 3 99 - 3 - HG2 PRO 19 - HG3 GLU 33 lone 2 89 - 3 - HG3 PRO 81 - HG3 GLU 33 lone 2 76 - 2 - HB3 PRO 81 - HG3 GLU 33 lone 2 65 - 3 - Peak 2065 from cnoeabs.peaks (1.81, 2.06, 35.42 ppm; 3.09 A): 1 out of 14 assignments used, quality = 1.00: * HB3 GLU 33 + HG3 GLU 33 OK 100 100 - 100 - 3.0=100 HB2 LYS 44 - HG3 GLU 33 OK 18 100 - 18 - 2055=3, 2059/1.8=3...(6) HB2 MET 48 - HG3 GLU 33 OK 18 81 - 22 - 4.7/2062=4, 2059/1.8=3...(8) HG LEU 76 - HG3 GLU 33 OK 17 99 - 17 - 2059/1.8=2, 2.1/5772=2...(4) HB2 LYS 31 - HG3 GLU 33 OK 17 63 - 28 - 3.0/6034=5, 1.8/4666=4...(10) HG3 GLU 51 - HG3 GLU 33 OK 17 99 - 17 - 2059/1.8=2, 3.0/4666=2...(6) HG2 GLU 51 - HG3 GLU 33 OK 17 99 - 17 - 2059/1.8=2, 3.0/4666=2...(6) HB2 GLU 22 - HG3 GLU 33 OK 14 63 - 22 - 1.8/2064=3, 1558=2...(8) HB2 LYS 65 - HG3 GLU 33 lone 5 65 - 7 - HB VAL 66 - HG3 GLU 33 lone 4 63 - 6 - ~4652=3 HB2 GLU 37 - HG3 GLU 33 lone 3 100 - 3 - HG3 GLU 37 - HG3 GLU 33 lone 2 65 - 3 - HB2 LYS 91 - HG3 GLU 33 lone 2 78 - 3 - HB2 ARG 28 - HG3 GLU 33 lone 1 63 - 1 - Peak 2066 from cnoeabs.peaks (2.22, 2.06, 35.42 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 33 + HG3 GLU 33 OK 100 100 - 100 - 1.8=100 HG2 GLU 77 - HG3 GLU 33 OK 23 100 - 23 - 2048/3.0=3, 3278=3...(9) HE2 LYS 68 - HG3 GLU 33 OK 10 99 - 11 - 2048/3.0=2, 3.7/4663=2...(4) HG2 GLU 25 - HG3 GLU 33 lone 5 100 - 5 - Peak 2067 from cnoeabs.peaks (2.06, 2.06, 35.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 33 + HG3 GLU 33 OK 100 100 - 100 Peak 2068 from cnoeabs.peaks (8.79, 4.97, 54.95 ppm; 4.31 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 34 + HA LEU 34 OK 100 100 - 100 - 3.0=100 H PHE 57 + HA LEU 34 OK 50 99 - 51 - 2075/3.0=9, 2082/3.0=9...(16) H ASN 18 - HA LEU 34 OK 32 99 - 33 - 4.9/2104=6, 2082/3.0=5...(9) H GLY 54 - HA LEU 34 OK 26 97 - 26 - 5158/3.0=7, 2082/3.0=4...(8) Peak 2069 from cnoeabs.peaks (4.97, 4.97, 54.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 34 + HA LEU 34 OK 100 100 - 100 Peak 2070 from cnoeabs.peaks (2.00, 4.97, 54.95 ppm; 4.39 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LEU 34 + HA LEU 34 OK 100 100 - 100 - 3.0=100 HG2 GLU 49 + HA LEU 34 OK 52 81 - 64 - 5.0/4931=22, 4935/3.0=8...(24) HB3 GLU 49 + HA LEU 34 OK 51 76 - 67 - 3.7/4931=29, 4937/3.0=6...(26) HE3 LYS 68 - HA LEU 34 OK 41 99 - 42 - ~152=5, 3.0/2074=5...(17) HG2 PRO 84 - HA LEU 34 OK 30 100 - 30 - 3557/4.8=8, 156/3.6=5...(11) HB3 PRO 19 - HA LEU 34 OK 26 97 - 27 - 2084/3.0=4, 2098/4.0=3...(9) HB2 PRO 19 - HA LEU 34 OK 24 92 - 26 - 2084/3.0=4, 2098/4.0=3...(9) HB2 GLU 51 - HA LEU 34 OK 16 65 - 25 - 5064/4.0=4, ~5090=4...(11) HB2 LYS 78 - HA LEU 34 OK 12 100 - 12 - 663/3.0=2, 2084/3.0=1, 156/3.6=1 HB2 GLU 25 - HA LEU 34 lone 8 100 - 8 - ~152=1, 663/3.0=1 HB2 LEU 23 - HA LEU 34 lone 6 81 - 7 - HB3 PRO 81 - HA LEU 34 lone 4 71 - 5 - Peak 2071 from cnoeabs.peaks (1.42, 4.97, 54.95 ppm; 3.76 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 34 + HA LEU 34 OK 100 100 - 100 - 3.0=100 HD3 LYS 56 - HA LEU 34 OK 35 60 - 59 - 3.0/2073=6, 2078/3.0=5...(30) HD2 LYS 44 - HA LEU 34 OK 31 100 - 31 - 2078/3.0=4, 664/3.0=4...(13) HG2 ARG 27 - HA LEU 34 OK 30 100 - 30 - 2078/3.0=4, 664/3.0=4...(15) HB3 LYS 64 - HA LEU 34 OK 20 85 - 24 - 2078/3.0=4, 2099/4.0=4...(9) HG2 LYS 31 - HA LEU 34 lone 9 93 - 10 - 664/3.0=1, 2078/3.0=1 HG2 LYS 65 - HA LEU 34 lone 4 73 - 5 - Peak 2072 from cnoeabs.peaks (1.51, 4.97, 54.95 ppm; 4.42 A): 3 out of 16 assignments used, quality = 1.00: * HG LEU 34 + HA LEU 34 OK 100 100 - 100 - 4.3=100 HB2 LYS 56 + HA LEU 34 OK 72 93 - 78 - 2623/4.0=10, 2.9/2073=9...(36) HD2 LYS 56 + HA LEU 34 OK 65 89 - 74 - 3.0/2073=8, 1.8/2071=7...(34) HD2 LYS 17 - HA LEU 34 OK 43 99 - 44 - 3.0/2104=10, 665/3.0=3...(21) HD3 LYS 17 - HA LEU 34 OK 43 99 - 44 - 3.0/2104=10, 665/3.0=3...(21) HG3 ARG 27 - HA LEU 34 OK 36 100 - 36 - 1.8/2071=6, 1794/3.0=6...(13) HD3 LYS 64 - HA LEU 34 OK 27 98 - 27 - 2086/3.0=3, 2100/4.0=3...(12) HG2 GLU 37 - HA LEU 34 OK 26 95 - 27 - 4776/4.0=8, 4779/4.0=7...(8) HB3 LYS 26 - HA LEU 34 OK 23 100 - 23 - 1693/4.0=3, 2.9/2074=2...(10) HB3 LYS 44 - HA LEU 34 OK 22 68 - 32 - 4.0/6060=6, 3.7/2071=4...(16) QB ALA 71 - HA LEU 34 OK 19 100 - 19 - 5625/4931=6, 665/3.0=2...(6) HB2 ARG 45 - HA LEU 34 lone 8 99 - 8 - 6021/4.8=2, 158/3.6=1 HB2 LEU 85 - HA LEU 34 lone 6 100 - 6 - QB ALA 72 - HA LEU 34 lone 5 78 - 7 - HB3 LEU 87 - HA LEU 34 lone 4 89 - 4 - HG LEU 30 - HA LEU 34 lone 3 71 - 4 - Peak 2073 from cnoeabs.peaks (1.06, 4.97, 54.95 ppm; 5.32 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 34 + HA LEU 34 OK 100 100 - 100 - 4.0=100 HG2 LYS 56 + HA LEU 34 OK 85 99 - 86 - 2080/3.0=16, 666/3.0=16...(31) QG2 THR 38 - HA LEU 34 OK 30 85 - 36 - ~4787=7, 2087/3.0=5...(10) QG2 VAL 66 - HA LEU 34 OK 25 85 - 29 - 159/3.6=5, 5466/4.3=4...(9) Peak 2074 from cnoeabs.peaks (1.22, 4.97, 54.95 ppm; 3.29 A): 3 out of 8 assignments used, quality = 0.96: * QD1 LEU 34 + HA LEU 34 OK 83 100 - 83 - 4.0=56, 3921/3.6=16...(20) HG13 ILE 35 + HA LEU 34 OK 69 95 - 73 - 2138/3.6=17, 3.2/4707=15...(19) HD2 LYS 68 + HA LEU 34 OK 35 98 - 36 - 2088/3.0=3, 2081/3.0=3...(17) HD3 LYS 68 - HA LEU 34 OK 35 97 - 36 - 2088/3.0=3, 2081/3.0=3...(17) HG2 LYS 17 - HA LEU 34 OK 30 78 - 38 - 2104=11, 3921/3.6=5...(13) HG3 LYS 26 - HA LEU 34 OK 14 97 - 15 - 2081/3.0=2, 2088/3.0=2...(6) QG2 THR 83 - HA LEU 34 lone 5 100 - 5 - HG2 LYS 14 - HA LEU 34 lone 3 92 - 3 - Peak 2075 from cnoeabs.peaks (8.79, 2.00, 41.62 ppm; 3.45 A): 4 out of 4 assignments used, quality = 0.93: * H LEU 34 + HB2 LEU 34 OK 82 100 - 82 - 4.0=62, 664/1.8=19...(11) H PHE 57 + HB2 LEU 34 OK 39 99 - 39 - 2082/1.8=8, 2096/3.1=6...(11) H ASN 18 + HB2 LEU 34 OK 21 99 - 21 - 2082/1.8=5, 2068/3.0=3...(7) H GLY 54 + HB2 LEU 34 OK 20 97 - 20 - 5158=5, 2082/1.8=4...(7) Peak 2076 from cnoeabs.peaks (4.97, 2.00, 41.62 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 34 + HB2 LEU 34 OK 100 100 - 100 - 3.0=100 Peak 2077 from cnoeabs.peaks (2.00, 2.00, 41.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 34 + HB2 LEU 34 OK 100 100 - 100 Peak 2078 from cnoeabs.peaks (1.42, 2.00, 41.62 ppm; 2.87 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 34 + HB2 LEU 34 OK 100 100 - 100 - 1.8=100 HD3 LYS 56 - HB2 LEU 34 OK 30 60 - 50 - 3.0/2080=6, 1.8/2079=4...(23) HG2 ARG 27 - HB2 LEU 34 OK 24 100 - 24 - 2092/3.0=3, ~1794=2...(12) HD2 LYS 44 - HB2 LEU 34 OK 23 100 - 23 - 2099/3.1=3, 2092/3.0=3...(9) HB3 LYS 64 - HB2 LEU 34 OK 22 85 - 26 - ~4675=4, 2092/3.0=3...(13) HG2 LYS 31 - HB2 LEU 34 lone 6 93 - 6 - HG2 LYS 65 - HB2 LEU 34 lone 3 73 - 3 - Peak 2079 from cnoeabs.peaks (1.51, 2.00, 41.62 ppm; 3.38 A): 3 out of 16 assignments used, quality = 1.00: * HG LEU 34 + HB2 LEU 34 OK 100 100 - 100 - 3.0=100 HB2 LYS 56 + HB2 LEU 34 OK 65 93 - 69 - 2.9/2080=9, 2623/3.1=8...(36) HD2 LYS 56 + HB2 LEU 34 OK 59 89 - 67 - 3.0/2080=9, 1.8/2078=6...(39) HG3 ARG 27 - HB2 LEU 34 OK 32 100 - 32 - 1794/1.8=5, 1.8/2078=5...(16) HD3 LYS 64 - HB2 LEU 34 OK 32 98 - 33 - ~4677=3, ~4669=3...(15) HD3 LYS 17 - HB2 LEU 34 OK 31 99 - 31 - 2086/1.8=3, 3.0/2081=2...(14) HD2 LYS 17 - HB2 LEU 34 OK 31 99 - 31 - 2086/1.8=3, 3.0/2081=2...(14) HG2 GLU 37 - HB2 LEU 34 OK 22 95 - 23 - 4776/3.1=4, 4779/3.1=4...(10) HB3 LYS 26 - HB2 LEU 34 OK 21 100 - 21 - 1693/3.1=2, 2.9/2081=2...(8) HB3 LYS 44 - HB2 LEU 34 OK 13 68 - 19 - 3.7/2078=3, 2272/1.8=2...(6) QB ALA 71 - HB2 LEU 34 lone 9 100 - 9 - QB ALA 72 - HB2 LEU 34 lone 5 78 - 6 - HB2 LEU 85 - HB2 LEU 34 lone 4 100 - 4 - HB2 ARG 45 - HB2 LEU 34 lone 4 99 - 4 - HG LEU 30 - HB2 LEU 34 lone 3 71 - 4 - HB3 LEU 87 - HB2 LEU 34 lone 3 89 - 3 - Peak 2080 from cnoeabs.peaks (1.06, 2.00, 41.62 ppm; 3.44 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 34 + HB2 LEU 34 OK 100 100 - 100 - 3.1=100 HG2 LYS 56 + HB2 LEU 34 OK 69 99 - 70 - 2087/1.8=12, 2094/3.0=8...(35) QG2 THR 38 - HB2 LEU 34 OK 20 85 - 23 - 2087/1.8=4, 2094/3.0=3...(12) QG2 VAL 66 - HB2 LEU 34 OK 16 85 - 19 - 2087/1.8=3, 5466/3.0=3...(9) Peak 2081 from cnoeabs.peaks (1.22, 2.00, 41.62 ppm; 3.92 A): 4 out of 8 assignments used, quality = 1.00: * QD1 LEU 34 + HB2 LEU 34 OK 100 100 - 100 - 3.1=100 HG13 ILE 35 + HB2 LEU 34 OK 74 95 - 78 - 2138/4.2=21, ~4725=13...(21) HD2 LYS 68 + HB2 LEU 34 OK 52 98 - 53 - 2088/1.8=6, 2074/3.0=5...(25) HD3 LYS 68 + HB2 LEU 34 OK 52 97 - 53 - 2088/1.8=5, 2074/3.0=4...(25) HG2 LYS 17 - HB2 LEU 34 OK 37 78 - 48 - 2104/3.0=9, 3921/4.2=6...(16) HG3 LYS 26 - HB2 LEU 34 OK 31 97 - 32 - 2095/3.0=3, 2088/1.8=3...(16) QG2 THR 83 - HB2 LEU 34 lone 9 100 - 9 - HG2 LYS 14 - HB2 LEU 34 lone 5 92 - 5 - Peak 2082 from cnoeabs.peaks (8.79, 1.42, 41.62 ppm; 3.63 A): 2 out of 4 assignments used, quality = 0.93: * H LEU 34 + HB3 LEU 34 OK 88 100 - 88 - 4.0=72, 2075/1.8=20...(13) H PHE 57 + HB3 LEU 34 OK 42 99 - 42 - 2075/1.8=9, 2096/3.1=7...(12) H ASN 18 - HB3 LEU 34 OK 25 99 - 25 - 2075/1.8=5, 2068/3.0=3...(7) H GLY 54 - HB3 LEU 34 OK 20 97 - 20 - 5158/1.8=6, 2096/3.1=3...(7) Peak 2083 from cnoeabs.peaks (4.97, 1.42, 41.62 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 34 + HB3 LEU 34 OK 100 100 - 100 - 3.0=100 Peak 2084 from cnoeabs.peaks (2.00, 1.42, 41.62 ppm; 2.97 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LEU 34 + HB3 LEU 34 OK 100 100 - 100 - 1.8=100 HG2 GLU 49 - HB3 LEU 34 OK 22 81 - 27 - 1.8/6035=4, 4935/4.0=3...(10) HB3 GLU 49 - HB3 LEU 34 OK 21 76 - 28 - 3.0/6035=3, 663/4.0=2...(14) HB3 PRO 19 - HB3 LEU 34 OK 21 97 - 22 - 2098/3.1=2, 2091/3.0=2...(6) HE3 LYS 68 - HB3 LEU 34 OK 20 99 - 21 - 3.0/2088=2, 3.0/2088=2...(9) HB2 PRO 19 - HB3 LEU 34 OK 20 92 - 21 - 2098/3.1=2, 2091/3.0=2...(6) HG2 PRO 84 - HB3 LEU 34 OK 13 100 - 13 - 156/4.2=2, 1.8/6035=1...(5) HB2 GLU 51 - HB3 LEU 34 poor 9 65 - 13 - ~5067=2, 5064/3.1=2...(4) HB2 LYS 78 - HB3 LEU 34 lone 7 100 - 7 - HB2 GLU 25 - HB3 LEU 34 lone 3 100 - 3 - HB2 LEU 23 - HB3 LEU 34 lone 3 81 - 3 - HB3 PRO 81 - HB3 LEU 34 lone 2 71 - 3 - Peak 2085 from cnoeabs.peaks (1.42, 1.42, 41.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 34 + HB3 LEU 34 OK 100 100 - 100 Peak 2086 from cnoeabs.peaks (1.51, 1.42, 41.62 ppm; 3.23 A): 3 out of 16 assignments used, quality = 1.00: * HG LEU 34 + HB3 LEU 34 OK 100 100 - 100 - 3.0=100 HB2 LYS 56 + HB3 LEU 34 OK 61 93 - 65 - 2.9/2087=8, 2623/3.1=7...(34) HD2 LYS 56 + HB3 LEU 34 OK 56 89 - 63 - 3.0/2087=8, 2079/1.8=4...(33) HG3 ARG 27 - HB3 LEU 34 OK 38 100 - 38 - 1794=7, 2.9/1770=3...(18) HD3 LYS 64 - HB3 LEU 34 OK 33 98 - 34 - ~4677=3, 2880=3, ~4669=3...(16) HD3 LYS 17 - HB3 LEU 34 OK 30 99 - 30 - 2079/1.8=2, 3.0/2088=2...(9) HD2 LYS 17 - HB3 LEU 34 OK 30 99 - 30 - 2079/1.8=2, 3.0/2088=2...(9) HG2 GLU 37 - HB3 LEU 34 OK 20 95 - 22 - 4776/3.1=4, 4779/3.1=3...(8) HB3 LYS 26 - HB3 LEU 34 OK 20 100 - 20 - 1693/3.1=2, 4.3/617=2...(7) HB3 LYS 44 - HB3 LEU 34 OK 17 68 - 25 - 2272=3, 3.0/2252=3...(9) QB ALA 71 - HB3 LEU 34 lone 7 100 - 7 - HB2 ARG 45 - HB3 LEU 34 lone 4 99 - 4 - QB ALA 72 - HB3 LEU 34 lone 4 78 - 5 - HB2 LEU 85 - HB3 LEU 34 lone 3 100 - 3 - HG LEU 30 - HB3 LEU 34 lone 3 71 - 4 - HB3 LEU 87 - HB3 LEU 34 lone 2 89 - 3 - Peak 2087 from cnoeabs.peaks (1.06, 1.42, 41.62 ppm; 3.50 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 34 + HB3 LEU 34 OK 100 100 - 100 - 3.1=100 HG2 LYS 56 + HB3 LEU 34 OK 70 99 - 71 - 2080/1.8=12, 2094/3.0=8...(34) QG2 THR 38 - HB3 LEU 34 OK 23 85 - 27 - 4.0/4783=4, 2080/1.8=4...(13) QG2 VAL 66 - HB3 LEU 34 OK 18 85 - 21 - 2080/1.8=3, 5466/3.0=3...(11) Peak 2088 from cnoeabs.peaks (1.22, 1.42, 41.62 ppm; 3.72 A): 4 out of 8 assignments used, quality = 1.00: * QD1 LEU 34 + HB3 LEU 34 OK 100 100 - 100 - 3.1=100 HG13 ILE 35 + HB3 LEU 34 OK 68 95 - 72 - 2138/4.2=19, ~4725=12...(19) HD2 LYS 68 + HB3 LEU 34 OK 47 98 - 48 - 2081/1.8=5, 2074/3.0=4...(21) HD3 LYS 68 + HB3 LEU 34 OK 46 97 - 48 - 2081/1.8=5, 2074/3.0=4...(21) HG2 LYS 17 - HB3 LEU 34 OK 36 78 - 45 - 2104/3.0=8, 3921/4.2=5...(15) HG3 LYS 26 - HB3 LEU 34 OK 27 97 - 28 - 2095/3.0=3, 2081/1.8=3...(13) QG2 THR 83 - HB3 LEU 34 lone 7 100 - 6 - HG2 LYS 14 - HB3 LEU 34 lone 4 92 - 5 - Peak 2089 from cnoeabs.peaks (8.79, 1.51, 27.40 ppm; 4.73 A): 2 out of 4 assignments used, quality = 0.99: * H LEU 34 + HG LEU 34 OK 97 100 - 97 - 5.1=81, 4.6/3919=25...(10) H PHE 57 + HG LEU 34 OK 64 99 - 64 - 2096/2.1=13, 2075/3.0=10...(18) H ASN 18 - HG LEU 34 OK 39 99 - 40 - 2096/2.1=6, 2082/3.0=6...(13) H GLY 54 - HG LEU 34 OK 31 97 - 32 - 5158/3.0=8, 2096/2.1=5...(9) Peak 2090 from cnoeabs.peaks (4.97, 1.51, 27.40 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 34 + HG LEU 34 OK 100 100 - 100 - 4.3=100 Peak 2091 from cnoeabs.peaks (2.00, 1.51, 27.40 ppm; 3.65 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LEU 34 + HG LEU 34 OK 100 100 - 100 - 3.0=100 HB3 PRO 19 - HG LEU 34 OK 37 97 - 38 - 2098/2.1=4, 2084/3.0=3...(18) HG2 GLU 49 - HG LEU 34 OK 36 81 - 45 - 2098/2.1=4, 4935/5.1=3...(23) HB2 PRO 19 - HG LEU 34 OK 35 92 - 38 - 2098/2.1=4, 2084/3.0=3...(18) HB3 GLU 49 - HG LEU 34 OK 34 76 - 46 - 1.8/4988=4, 4967/2.1=3...(25) HE3 LYS 68 - HG LEU 34 OK 31 99 - 31 - 3.0/2095=4, 3.0/2095=4...(13) HG2 PRO 84 - HG LEU 34 OK 20 100 - 20 - 2098/2.1=2, 2084/3.0=2...(9) HB2 GLU 51 - HG LEU 34 OK 16 65 - 24 - ~5067=5, 5064/2.1=4...(9) HB2 LYS 78 - HG LEU 34 lone 10 100 - 9 - 2098/2.1=1 HB2 GLU 25 - HG LEU 34 lone 7 100 - 7 - 4.6/606=1 HB2 LEU 23 - HG LEU 34 lone 5 81 - 7 - HB3 PRO 81 - HG LEU 34 lone 4 71 - 5 - Peak 2092 from cnoeabs.peaks (1.42, 1.51, 27.40 ppm; 3.34 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 34 + HG LEU 34 OK 100 100 - 100 - 3.0=100 HB3 LYS 64 - HG LEU 34 OK 39 85 - 47 - ~4675=7, 2099/2.1=5...(20) HD3 LYS 56 - HG LEU 34 OK 39 60 - 64 - 3.0/2094=8, 2673/2.1=6...(33) HG2 ARG 27 - HG LEU 34 OK 36 100 - 36 - 1787=4, 2099/2.1=4...(19) HD2 LYS 44 - HG LEU 34 OK 35 100 - 35 - 2099/2.1=5, 2106/2.1=4...(15) HG2 LYS 31 - HG LEU 34 lone 9 93 - 9 - 2099/2.1=1 HG2 LYS 65 - HG LEU 34 lone 4 73 - 6 - Peak 2093 from cnoeabs.peaks (1.51, 1.51, 27.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 34 + HG LEU 34 OK 100 100 - 100 Peak 2094 from cnoeabs.peaks (1.06, 1.51, 27.40 ppm; 3.76 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 34 + HG LEU 34 OK 100 100 - 100 - 2.1=100 HG2 LYS 56 + HG LEU 34 OK 78 99 - 79 - 2080/3.0=11, 2087/3.0=10...(40) QG2 THR 38 - HG LEU 34 OK 28 85 - 33 - 4789=5, 4.0/176=4...(13) QG2 VAL 66 - HG LEU 34 OK 24 85 - 28 - 5466=3, 2087/3.0=3...(13) Peak 2095 from cnoeabs.peaks (1.22, 1.51, 27.40 ppm; 3.41 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 34 + HG LEU 34 OK 100 100 - 100 - 2.1=100 HG13 ILE 35 + HG LEU 34 OK 47 95 - 50 - 4.5/3919=12, 4726/4.3=7...(16) HD2 LYS 68 - HG LEU 34 OK 39 98 - 40 - 2102/2.1=5, 2088/3.0=3...(14) HD3 LYS 68 - HG LEU 34 OK 39 97 - 40 - 2102/2.1=5, 2088/3.0=3...(14) HG2 LYS 17 - HG LEU 34 OK 29 78 - 37 - 2104/4.3=4, 2102/2.1=4...(13) HG3 LYS 26 - HG LEU 34 OK 29 97 - 30 - 2102/2.1=3, ~4676=2...(15) QG2 THR 83 - HG LEU 34 lone 6 100 - 6 - HG2 LYS 14 - HG LEU 34 lone 4 92 - 5 - Peak 2096 from cnoeabs.peaks (8.79, 1.06, 26.57 ppm; 4.18 A): 2 out of 4 assignments used, quality = 0.98: * H LEU 34 + QD2 LEU 34 OK 93 100 - 93 - 4.7=72, 4.6/3920=19...(13) H PHE 57 + QD2 LEU 34 OK 67 99 - 68 - 251=11, 3.6/2613=10...(19) H ASN 18 - QD2 LEU 34 OK 32 99 - 33 - 2089/2.1=5, 2082/3.1=5...(10) H GLY 54 - QD2 LEU 34 OK 27 97 - 27 - 5158/3.1=6, 2089/2.1=4...(7) Peak 2097 from cnoeabs.peaks (4.97, 1.06, 26.57 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 34 + QD2 LEU 34 OK 100 100 - 100 - 4.0=100 Peak 2098 from cnoeabs.peaks (2.00, 1.06, 26.57 ppm; 3.23 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LEU 34 + QD2 LEU 34 OK 100 100 - 100 - 3.1=100 HB3 PRO 19 - QD2 LEU 34 OK 30 97 - 31 - 2091/2.1=3, 2.3/4678=3...(15) HB2 PRO 19 - QD2 LEU 34 OK 28 92 - 31 - 2.3/4678=3, 2091/2.1=3...(15) HG2 GLU 49 - QD2 LEU 34 OK 26 81 - 33 - 3.0/4678=3, 2091/2.1=3...(15) HB3 GLU 49 - QD2 LEU 34 OK 25 76 - 33 - 1.8/4678=4, 2091/2.1=3...(15) HE3 LYS 68 - QD2 LEU 34 OK 24 99 - 24 - 3.0/2102=3, 3.0/2102=3...(13) HG2 PRO 84 - QD2 LEU 34 OK 17 100 - 17 - 2.3/4678=2, 2091/2.1=2...(7) HB2 GLU 51 - QD2 LEU 34 OK 15 65 - 23 - 3.0/5060=5, 1.8/5067=5...(6) HB2 LYS 78 - QD2 LEU 34 lone 8 100 - 8 - HB2 GLU 25 - QD2 LEU 34 lone 4 100 - 4 - HB2 LEU 23 - QD2 LEU 34 lone 3 81 - 4 - HB3 PRO 81 - QD2 LEU 34 lone 3 71 - 4 - Peak 2099 from cnoeabs.peaks (1.42, 1.06, 26.57 ppm; 3.19 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 34 + QD2 LEU 34 OK 100 100 - 100 - 3.1=100 HD3 LYS 56 - QD2 LEU 34 OK 40 60 - 66 - 3.4/2623=7, 2673=7...(33) HB3 LYS 64 - QD2 LEU 34 OK 37 85 - 44 - ~4675=6, 2092/2.1=4...(19) HD2 LYS 44 - QD2 LEU 34 OK 35 100 - 35 - 3.0/4669=5, 2092/2.1=4...(11) HG2 ARG 27 - QD2 LEU 34 OK 28 100 - 28 - 2092/2.1=4, 2078/3.1=3...(11) HG2 LYS 31 - QD2 LEU 34 lone 9 93 - 9 - 3.7/4674=1 HG2 LYS 65 - QD2 LEU 34 lone 5 73 - 7 - 5.0/5453=2 Peak 2100 from cnoeabs.peaks (1.51, 1.06, 26.57 ppm; 3.01 A): 3 out of 16 assignments used, quality = 1.00: * HG LEU 34 + QD2 LEU 34 OK 100 100 - 100 - 2.1=100 HB2 LYS 56 + QD2 LEU 34 OK 63 93 - 68 - 2623=9, 1.8/2633=8...(31) HD2 LYS 56 + QD2 LEU 34 OK 57 89 - 64 - 1.8/2673=8, 3.4/2623=6...(32) HD3 LYS 64 - QD2 LEU 34 OK 38 98 - 39 - 3.0/4669=6, 3.0/4669=6...(15) HG2 GLU 37 - QD2 LEU 34 OK 32 95 - 34 - 3.8/6195=9, 3.0/4678=4...(13) HD3 LYS 17 - QD2 LEU 34 OK 28 99 - 28 - 3.0/2102=3, 2663=2...(7) HD2 LYS 17 - QD2 LEU 34 OK 28 99 - 28 - 3.0/2102=3, 2663=2...(7) HG3 ARG 27 - QD2 LEU 34 OK 25 100 - 25 - 1.8/2099=3, 1794/3.1=3...(8) HB3 LYS 26 - QD2 LEU 34 OK 18 100 - 18 - 1693/2.1=2, 2.9/2102=2...(4) HB3 LYS 44 - QD2 LEU 34 OK 13 68 - 19 - 4.0/4684=3, 4.8/4669=2...(4) QB ALA 71 - QD2 LEU 34 lone 8 100 - 8 - QB ALA 72 - QD2 LEU 34 lone 5 78 - 6 - HB2 LEU 85 - QD2 LEU 34 lone 4 100 - 4 - HB2 ARG 45 - QD2 LEU 34 lone 4 99 - 4 - HG LEU 30 - QD2 LEU 34 lone 3 71 - 4 - HB3 LEU 87 - QD2 LEU 34 lone 2 89 - 3 - Peak 2101 from cnoeabs.peaks (1.06, 1.06, 26.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 34 + QD2 LEU 34 OK 100 100 - 100 Peak 2102 from cnoeabs.peaks (1.22, 1.06, 26.57 ppm; 2.83 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 34 + QD2 LEU 34 OK 100 100 - 100 - 2.1=100 HG13 ILE 35 - QD2 LEU 34 OK 34 95 - 36 - 4.5/3920=8, 4726/4.0=4...(15) HD2 LYS 68 - QD2 LEU 34 OK 27 98 - 28 - 2095/2.1=3, 2088/3.1=2...(10) HD3 LYS 68 - QD2 LEU 34 OK 27 97 - 28 - 2095/2.1=3, 2088/3.1=2...(10) HG2 LYS 17 - QD2 LEU 34 OK 23 78 - 30 - 2108=5, 2104/4.0=3...(10) HG3 LYS 26 - QD2 LEU 34 OK 17 97 - 18 - 2095/2.1=2, ~4676=2...(5) QG2 THR 83 - QD2 LEU 34 lone 5 100 - 5 - HG2 LYS 14 - QD2 LEU 34 lone 3 92 - 3 - Peak 2103 from cnoeabs.peaks (8.79, 1.22, 25.00 ppm; 4.18 A): 3 out of 8 assignments used, quality = 0.99: * H LEU 34 + QD1 LEU 34 OK 94 100 - 94 - 4.7=72, 3.0/2104=32...(13) H ASN 18 + HG2 LYS 17 OK 61 72 - 85 - 4.9=62, 43/3.9=24...(10) H PHE 57 + QD1 LEU 34 OK 51 99 - 51 - 2096/2.1=11, 2075/3.1=9...(14) H ASN 18 - QD1 LEU 34 OK 35 99 - 35 - 2096/2.1=5, 2089/2.1=5...(12) H LEU 34 - HG2 LYS 17 OK 33 76 - 43 - 3.0/2104=9, 4.6/3921=6...(15) H GLY 54 - QD1 LEU 34 OK 24 97 - 24 - 5158/3.1=6, 2096/2.1=4...(6) H PHE 57 - HG2 LYS 17 OK 20 74 - 27 - 252/1.8=4, 3821/3.9=4...(9) H GLY 54 - HG2 LYS 17 lone 4 70 - 6 - Peak 2104 from cnoeabs.peaks (4.97, 1.22, 25.00 ppm; 3.03 A): 2 out of 2 assignments used, quality = 0.79: * HA LEU 34 + QD1 LEU 34 OK 74 100 - 74 - 4.0=44, 3.6/3921=13...(19) HA LEU 34 + HG2 LYS 17 OK 22 76 - 28 - 2074=4, 3.6/3921=4...(12) Peak 2105 from cnoeabs.peaks (2.00, 1.22, 25.00 ppm; 3.56 A): 1 out of 24 assignments used, quality = 1.00: * HB2 LEU 34 + QD1 LEU 34 OK 100 100 - 100 - 3.1=100 HB3 PRO 19 - QD1 LEU 34 OK 36 97 - 37 - 2098/2.1=4, 2091/2.1=4...(17) HG2 GLU 49 - QD1 LEU 34 OK 35 81 - 43 - 5.0/4700=4, 3.0/4680=4...(19) HB3 GLU 49 - QD1 LEU 34 OK 34 76 - 45 - 1.8/4680=5, 3.7/4700=5...(20) HB2 PRO 19 - QD1 LEU 34 OK 34 92 - 37 - 2098/2.1=4, 2091/2.1=3...(17) HE3 LYS 68 - QD1 LEU 34 OK 32 99 - 33 - 3109=3, 2098/2.1=3...(16) HB2 LEU 34 - HG2 LYS 17 OK 32 76 - 42 - 3.0/2104=7, 4.2/3921=5...(12) HG2 PRO 84 - QD1 LEU 34 OK 23 100 - 23 - 2.3/5951=3, 2.3/4680=2...(10) HE3 LYS 68 - HG2 LYS 17 OK 17 72 - 24 - 3106/1.8=2, 1.8/3100=2...(10) HB2 GLU 51 - QD1 LEU 34 OK 14 65 - 21 - ~5067=4, ~5060=4...(7) HB2 LEU 23 - HG2 LYS 17 poor 10 54 - 18 - 1588/1.8=3, ~1609=1...(6) HB2 LYS 78 - QD1 LEU 34 lone 10 100 - 9 - 2098/2.1=1 HG2 GLU 49 - HG2 LYS 17 poor 9 54 - 17 - 3.0/4967=1, 5.0/4700=1...(7) HB3 GLU 49 - HG2 LYS 17 poor 8 50 - 16 - 3.7/4700=2, 1.8/4680=2...(5) HB3 PRO 19 - HG2 LYS 17 poor 8 69 - 12 - 3.5/1359=2, 3834/4.8=1 HB2 PRO 19 - HG2 LYS 17 poor 8 64 - 12 - 3.5/1359=2, 3834/4.8=1 HB2 GLU 25 - QD1 LEU 34 lone 7 100 - 7 - 4.6/608=1, 4.1/4502=1 HB2 LYS 78 - HG2 LYS 17 lone 6 76 - 8 - 3301/2.9=1, 3301/2.9=1 HB2 LEU 23 - QD1 LEU 34 lone 5 81 - 6 - HB3 PRO 81 - QD1 LEU 34 lone 5 71 - 7 - 3.9/5923=1 HG2 PRO 84 - HG2 LYS 17 lone 3 76 - 4 - HB2 GLU 51 - HG2 LYS 17 lone 3 42 - 7 - ~6053=2, ~5066=1 HB2 GLU 25 - HG2 LYS 17 lone 2 76 - 3 - HB3 PRO 81 - HG2 LYS 17 lone 1 46 - 2 - Peak 2106 from cnoeabs.peaks (1.42, 1.22, 25.00 ppm; 3.08 A): 1 out of 14 assignments used, quality = 0.97: * HB3 LEU 34 + QD1 LEU 34 OK 97 100 - 97 - 3.1=96, 3.0/2104=19...(5) HB3 LYS 64 - QD1 LEU 34 OK 35 85 - 42 - 3.0/4675=8, 3.0/4677=7...(15) HD3 LYS 56 - QD1 LEU 34 OK 33 60 - 55 - 3.0/2108=6, 2673/2.1=5...(30) HD2 LYS 44 - QD1 LEU 34 OK 31 100 - 31 - 2099/2.1=4, 2092/2.1=4...(9) HG2 ARG 27 - QD1 LEU 34 OK 26 100 - 26 - 2092/2.1=4, 2099/2.1=3...(10) HB3 LEU 34 - HG2 LYS 17 OK 25 76 - 33 - 3.0/2104=6, 4.2/3921=3...(10) HD3 LYS 56 - HG2 LYS 17 OK 16 38 - 43 - 2674/1.8=3, 3.0/2108=3...(18) HG2 LYS 65 - HG2 LYS 17 OK 15 48 - 31 - 2942/1.8=4, 2940/2.9=2...(11) HG2 ARG 27 - HG2 LYS 17 poor 8 75 - 11 - HG2 LYS 31 - QD1 LEU 34 lone 7 93 - 8 - 2099/2.1=1 HB3 LYS 64 - HG2 LYS 17 poor 6 58 - 11 - 3.0/4675=2, 3.0/4677=2 HD2 LYS 44 - HG2 LYS 17 lone 5 76 - 6 - HG2 LYS 31 - HG2 LYS 17 lone 4 66 - 6 - HG2 LYS 65 - QD1 LEU 34 lone 4 73 - 5 - Peak 2107 from cnoeabs.peaks (1.51, 1.22, 25.00 ppm; 2.74 A): 4 out of 32 assignments used, quality = 1.00: * HG LEU 34 + QD1 LEU 34 OK 100 100 - 100 - 2.1=100 HD3 LYS 17 + HG2 LYS 17 OK 67 74 - 90 - 3.0=80, 1394/1.8=5...(25) HD2 LYS 17 + HG2 LYS 17 OK 67 74 - 90 - 3.0=80, 1394/1.8=5...(25) HB2 LYS 56 + QD1 LEU 34 OK 47 93 - 51 - 2623/2.1=6, 2.9/2108=5...(24) HD2 LYS 56 - QD1 LEU 34 OK 44 89 - 50 - 3.0/2108=5, ~2673=4...(25) HD3 LYS 64 - QD1 LEU 34 OK 35 98 - 36 - 2.9/4677=5, 3.0/4671=5...(12) HB2 LYS 56 - HG2 LYS 17 OK 24 66 - 38 - 2624/1.8=4, 2.9/2108=2...(15) HB3 LYS 26 - QD1 LEU 34 OK 23 100 - 24 - 3.6/4676=2, 3.6/4676=2...(9) HG2 GLU 37 - QD1 LEU 34 OK 23 95 - 25 - 3.8/6196=6, 3.0/4680=3...(8) HD2 LYS 17 - QD1 LEU 34 OK 22 99 - 22 - 2100/2.1=2, 1383=1...(4) HD3 LYS 17 - QD1 LEU 34 OK 22 99 - 22 - 2100/2.1=2, 1393=1...(4) HD2 LYS 56 - HG2 LYS 17 OK 21 61 - 35 - ~2674=2, 3.0/2108=2...(13) HG3 ARG 27 - QD1 LEU 34 OK 21 100 - 21 - 1794/3.1=3, 1.8/2106=2...(8) HG LEU 34 - HG2 LYS 17 OK 18 76 - 24 - 2.1/2102=3, 4.3/2104=3...(7) HB3 LYS 44 - QD1 LEU 34 OK 10 68 - 15 - 4.0/4688=2, 3.7/2106=1...(4) QB ALA 71 - QD1 LEU 34 lone 10 100 - 10 - HD3 LYS 64 - HG2 LYS 17 lone 6 71 - 8 - 5.0/4675=1, 2.9/4677=1 HG3 ARG 27 - HG2 LYS 17 lone 6 75 - 8 - HB2 ARG 45 - QD1 LEU 34 lone 4 99 - 5 - 6180/4781=1 QB ALA 71 - HG2 LYS 17 lone 4 74 - 6 - QB ALA 72 - QD1 LEU 34 lone 4 78 - 5 - QB ALA 72 - HG2 LYS 17 lone 4 52 - 8 - 5672/1.8=2, 5693/4.8=1 HB2 LEU 85 - QD1 LEU 34 lone 4 100 - 4 - HG LEU 30 - QD1 LEU 34 lone 3 71 - 5 - 2.1/4676=1 HG2 GLU 37 - HG2 LYS 17 lone 3 67 - 4 - HB3 LEU 87 - QD1 LEU 34 lone 2 89 - 3 - HB3 LYS 26 - HG2 LYS 17 lone 2 75 - 3 - HB3 LYS 44 - HG2 LYS 17 lone 2 44 - 4 - HB2 LEU 85 - HG2 LYS 17 lone 1 76 - 2 - HG LEU 30 - HG2 LYS 17 lone 1 46 - 3 - HB2 ARG 45 - HG2 LYS 17 lone 1 74 - 2 - HB3 LEU 87 - HG2 LYS 17 lone 1 61 - 1 - Peak 2108 from cnoeabs.peaks (1.06, 1.22, 25.00 ppm; 2.68 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 34 + QD1 LEU 34 OK 100 100 - 100 - 2.1=100 HG2 LYS 56 + QD1 LEU 34 OK 47 99 - 48 - 2094/2.1=6, 2080/3.1=5...(23) HG2 LYS 56 - HG2 LYS 17 OK 23 73 - 32 - 2644/1.8=5, 2641/3.0=2...(8) QD2 LEU 34 - HG2 LYS 17 OK 20 76 - 27 - 2102=4, 4.0/2104=3...(9) QG2 THR 38 - QD1 LEU 34 OK 14 85 - 17 - 4.0/4781=4, 2094/2.1=2...(8) QG2 VAL 66 - QD1 LEU 34 OK 13 85 - 15 - 2094/2.1=2, 2.1/4680=2...(5) QG2 VAL 66 - HG2 LYS 17 lone 3 58 - 5 - QG2 THR 38 - HG2 LYS 17 lone 2 58 - 3 - Peak 2109 from cnoeabs.peaks (1.22, 1.22, 25.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 34 + QD1 LEU 34 OK 100 100 - 100 HG2 LYS 17 + HG2 LYS 17 OK 52 52 - 100 Peak 2110 from cnoeabs.peaks (8.98, 4.36, 60.31 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 35 + HA ILE 35 OK 100 100 - 100 - 3.0=100 Peak 2111 from cnoeabs.peaks (4.36, 4.36, 60.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 35 + HA ILE 35 OK 100 100 - 100 Peak 2112 from cnoeabs.peaks (1.87, 4.36, 60.31 ppm; 3.20 A): 2 out of 10 assignments used, quality = 1.00: * HB ILE 35 + HA ILE 35 OK 100 100 - 100 - 3.0=100 HB3 PRO 84 + HA ILE 35 OK 48 85 - 56 - 3550=9, 1.8/3543=8...(22) HB3 GLN 58 - HA ILE 35 OK 26 87 - 30 - 5287/3.2=6, 2147/4.1=3...(14) HB2 GLU 49 - HA ILE 35 OK 26 63 - 41 - 4963/4.1=7, 4986/4.2=6...(18) HG3 PRO 19 - HA ILE 35 OK 18 99 - 18 - 4375/3.2=3, 670/3.0=2...(7) HB3 LYS 78 - HA ILE 35 lone 9 100 - 8 - HB3 GLU 37 - HA ILE 35 lone 7 96 - 8 - 163/3.6=2 HG2 PRO 81 - HA ILE 35 lone 7 95 - 7 - HB3 MET 11 - HA ILE 35 lone 5 85 - 6 - HB2 MET 11 - HA ILE 35 lone 5 81 - 6 - Peak 2113 from cnoeabs.peaks (0.82, 4.36, 60.31 ppm; 2.85 A): 2 out of 8 assignments used, quality = 0.95: * QG2 ILE 35 + HA ILE 35 OK 91 100 - 91 - 3.2=71, 2124/3.0=16...(20) QG1 VAL 47 + HA ILE 35 OK 39 100 - 39 - 4837/4.1=7, ~5977=6...(13) QG2 VAL 47 - HA ILE 35 OK 32 89 - 37 - ~5977=6, 5971/3.6=5...(13) QD2 LEU 73 - HA ILE 35 OK 17 90 - 19 - 5714=5, 2.1/5713=4...(4) HG3 LYS 68 - HA ILE 35 OK 16 81 - 20 - 3.0/2115=2, 3.0/2115=2...(8) QD2 LEU 85 - HA ILE 35 lone 5 95 - 5 - 4.7/397=2 HD2 LYS 26 - HA ILE 35 lone 3 68 - 4 - QD2 LEU 87 - HA ILE 35 lone 2 83 - 2 - Peak 2114 from cnoeabs.peaks (1.14, 4.36, 60.31 ppm; 3.86 A): 1 out of 2 assignments used, quality = 0.99: * HG12 ILE 35 + HA ILE 35 OK 99 100 - 99 - 4.2=78, 2.1/2116=33...(20) QG1 VAL 66 - HA ILE 35 OK 18 68 - 25 - 2121/3.0=4, 2128/3.2=4...(8) Peak 2115 from cnoeabs.peaks (1.23, 4.36, 60.31 ppm; 3.79 A): 4 out of 10 assignments used, quality = 1.00: * HG13 ILE 35 + HA ILE 35 OK 98 100 - 98 - 4.2=74, 2.1/2116=33...(19) QD1 LEU 34 + HA ILE 35 OK 69 95 - 73 - 3921/3.0=23, 2104/4.8=15...(14) HD3 LYS 68 + HA ILE 35 OK 46 100 - 46 - 2122/3.0=5, 2129/3.2=5...(23) HD2 LYS 68 + HA ILE 35 OK 46 100 - 46 - 2122/3.0=5, 2129/3.2=5...(23) HG2 LYS 17 - HA ILE 35 OK 20 98 - 20 - 3921/3.0=7, 2104/4.8=4...(7) QG2 THR 83 - HA ILE 35 OK 13 89 - 15 - 4.2/3529=6, 4.2/3522=4 HG3 LYS 26 - HA ILE 35 poor 8 73 - 11 - 160/3.0=2 HB2 LEU 79 - HA ILE 35 lone 4 78 - 5 - HB3 LEU 23 - HA ILE 35 lone 2 57 - 4 - HG2 LYS 14 - HA ILE 35 lone 2 63 - 3 - Peak 2116 from cnoeabs.peaks (0.65, 4.36, 60.31 ppm; 2.97 A): 2 out of 2 assignments used, quality = 0.89: * QD1 ILE 35 + HA ILE 35 OK 84 100 - 84 - 4.1=37, 2.1/2114=17...(17) QD2 LEU 12 + HA ILE 35 OK 27 97 - 28 - 2130/3.2=7, 2123/3.0=6...(6) Peak 2117 from cnoeabs.peaks (8.98, 1.87, 37.61 ppm; 3.61 A): 1 out of 1 assignment used, quality = 0.98: * H ILE 35 + HB ILE 35 OK 98 100 - 98 - 3.9=76, 2124/2.1=32...(20) Peak 2118 from cnoeabs.peaks (4.36, 1.87, 37.61 ppm; 3.43 A): 2 out of 5 assignments used, quality = 1.00: * HA ILE 35 + HB ILE 35 OK 100 100 - 100 - 3.0=100 HA PRO 84 + HB ILE 35 OK 57 98 - 58 - 2125/2.1=9, 2146/3.2=7...(24) HA LYS 44 - HB ILE 35 OK 31 81 - 39 - 3.0/3923=7, 2125/2.1=5...(15) HA THR 13 - HB ILE 35 OK 10 73 - 14 - 6151/2.1=3, ~19=3...(5) HA ARG 45 - HB ILE 35 lone 9 100 - 9 - 2125/2.1=2 Peak 2119 from cnoeabs.peaks (1.87, 1.87, 37.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 35 + HB ILE 35 OK 100 100 - 100 Peak 2120 from cnoeabs.peaks (0.82, 1.87, 37.61 ppm; 2.80 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 35 + HB ILE 35 OK 100 100 - 100 - 2.1=100 QG1 VAL 47 + HB ILE 35 OK 55 100 - 55 - 4837/3.2=9, 6168=8...(22) QG2 VAL 47 - HB ILE 35 OK 45 89 - 50 - 2.1/6168=6, ~4838=5...(23) HG3 LYS 68 - HB ILE 35 OK 23 81 - 28 - 3.0/2122=3, 3.0/2122=3...(12) QD2 LEU 73 - HB ILE 35 OK 19 90 - 21 - 5714/3.0=3, 6147=3...(9) QD2 LEU 85 - HB ILE 35 lone 5 95 - 5 - HD2 LYS 26 - HB ILE 35 lone 3 68 - 5 - QD2 LEU 87 - HB ILE 35 lone 2 83 - 2 - Peak 2121 from cnoeabs.peaks (1.14, 1.87, 37.61 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 35 + HB ILE 35 OK 100 100 - 100 - 3.0=100 QG1 VAL 66 - HB ILE 35 OK 16 68 - 23 - 2128/2.1=5, 2114/3.0=4...(7) Peak 2122 from cnoeabs.peaks (1.23, 1.87, 37.61 ppm; 3.58 A): 4 out of 10 assignments used, quality = 1.00: * HG13 ILE 35 + HB ILE 35 OK 100 100 - 100 - 3.0=100 QD1 LEU 34 + HB ILE 35 OK 60 95 - 64 - 3921/3.9=16, 4.0/4706=15...(19) HD3 LYS 68 + HB ILE 35 OK 55 100 - 55 - 2129/2.1=6, 2136/3.0=5...(27) HD2 LYS 68 + HB ILE 35 OK 55 100 - 55 - 2129/2.1=6, 2136/3.0=5...(27) HG2 LYS 17 - HB ILE 35 OK 19 98 - 19 - 3921/3.9=5, 2129/2.1=2...(8) QG2 THR 83 - HB ILE 35 poor 9 89 - 11 - 4.2/3531=2, 4.2/3524=1 HG3 LYS 26 - HB ILE 35 poor 8 73 - 11 - 160/3.9=1, 2129/2.1=1 HB2 LEU 79 - HB ILE 35 lone 7 78 - 9 - 4.0/372=1, 2.9/5840=1 HB3 LEU 23 - HB ILE 35 lone 3 57 - 5 - HG2 LYS 14 - HB ILE 35 lone 2 63 - 2 - Peak 2123 from cnoeabs.peaks (0.65, 1.87, 37.61 ppm; 3.48 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 35 + HB ILE 35 OK 100 100 - 100 - 3.2=100 QD2 LEU 12 + HB ILE 35 OK 49 97 - 51 - 2130/2.1=12, 2137/3.0=9...(11) Peak 2124 from cnoeabs.peaks (8.98, 0.82, 17.07 ppm; 3.73 A): 1 out of 1 assignment used, quality = 0.99: * H ILE 35 + QG2 ILE 35 OK 99 100 - 99 - 4.0=80, 2117/2.1=36...(21) Peak 2125 from cnoeabs.peaks (4.36, 0.82, 17.07 ppm; 3.00 A): 1 out of 5 assignments used, quality = 0.96: * HA ILE 35 + QG2 ILE 35 OK 96 100 - 96 - 3.2=83, 3.0/2124=18...(20) HA PRO 84 - QG2 ILE 35 OK 43 98 - 44 - 2118/2.1=7, 2146/3.1=6...(20) HA LYS 44 - QG2 ILE 35 OK 24 81 - 30 - 3.0/3924=5, 2118/2.1=4...(14) HA THR 13 - QG2 ILE 35 poor 8 73 - 11 - 6151=3, ~19=2...(4) HA ARG 45 - QG2 ILE 35 lone 8 100 - 7 - 2118/2.1=1 Peak 2126 from cnoeabs.peaks (1.87, 0.82, 17.07 ppm; 2.84 A): 2 out of 10 assignments used, quality = 1.00: * HB ILE 35 + QG2 ILE 35 OK 100 100 - 100 - 2.1=100 HB3 GLN 58 + QG2 ILE 35 OK 54 87 - 63 - 4.6/4709=9, 5287=6...(31) HB3 PRO 84 - QG2 ILE 35 OK 43 85 - 50 - 2.3/2125=6, 3550/3.2=5...(26) HB2 GLU 49 - QG2 ILE 35 OK 40 63 - 63 - 1.8/4747=9, 4963/3.1=7...(27) HG3 PRO 19 - QG2 ILE 35 OK 17 99 - 17 - 4375=3, ~4353=1...(7) HB3 LYS 78 - QG2 ILE 35 lone 10 100 - 10 - 4.4/4710=1 HB3 MET 11 - QG2 ILE 35 lone 7 85 - 8 - HB2 MET 11 - QG2 ILE 35 lone 6 81 - 8 - HG2 PRO 81 - QG2 ILE 35 lone 6 95 - 7 - HB3 GLU 37 - QG2 ILE 35 lone 6 96 - 6 - Peak 2127 from cnoeabs.peaks (0.82, 0.82, 17.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 35 + QG2 ILE 35 OK 100 100 - 100 Peak 2128 from cnoeabs.peaks (1.14, 0.82, 17.07 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 35 + QG2 ILE 35 OK 100 100 - 100 - 3.2=100 QG1 VAL 66 - QG2 ILE 35 OK 16 68 - 23 - 2121/2.1=4, 2114/3.2=3...(7) Peak 2129 from cnoeabs.peaks (1.23, 0.82, 17.07 ppm; 3.43 A): 4 out of 10 assignments used, quality = 1.00: * HG13 ILE 35 + QG2 ILE 35 OK 100 100 - 100 - 3.2=100 QD1 LEU 34 + QG2 ILE 35 OK 59 95 - 62 - 4.0/4707=15, 3921/4.0=14...(20) HD3 LYS 68 + QG2 ILE 35 OK 54 100 - 54 - 2122/2.1=5, 2150/3.1=5...(19) HD2 LYS 68 + QG2 ILE 35 OK 54 100 - 54 - 2122/2.1=5, 2150/3.1=5...(19) HG2 LYS 17 - QG2 ILE 35 OK 18 98 - 19 - 3921/4.0=4, 2122/2.1=2...(8) HG3 LYS 26 - QG2 ILE 35 poor 9 73 - 12 - HB2 LEU 79 - QG2 ILE 35 lone 7 78 - 9 - 4.0/4710=2 QG2 THR 83 - QG2 ILE 35 lone 6 89 - 7 - HB3 LEU 23 - QG2 ILE 35 lone 3 57 - 5 - HG2 LYS 14 - QG2 ILE 35 lone 2 63 - 3 - Peak 2130 from cnoeabs.peaks (0.65, 0.82, 17.07 ppm; 2.79 A): 2 out of 2 assignments used, quality = 0.93: * QD1 ILE 35 + QG2 ILE 35 OK 89 100 - 89 - 3.1=73, 2116/3.2=14...(24) QD2 LEU 12 + QG2 ILE 35 OK 35 97 - 37 - 2123/2.1=7, 2137/3.2=6...(11) Peak 2131 from cnoeabs.peaks (8.98, 1.14, 26.82 ppm; 4.00 A): 1 out of 1 assignment used, quality = 0.99: * H ILE 35 + HG12 ILE 35 OK 99 100 - 99 - 4.5=69, 2138/1.8=39...(22) Peak 2132 from cnoeabs.peaks (4.36, 1.14, 26.82 ppm; 4.47 A): 2 out of 5 assignments used, quality = 1.00: * HA ILE 35 + HG12 ILE 35 OK 100 100 - 100 - 4.2=100 HA PRO 84 + HG12 ILE 35 OK 71 98 - 73 - 2146/2.1=13, 2139/1.8=12...(21) HA LYS 44 - HG12 ILE 35 OK 41 81 - 51 - 3.0/3925=10, ~3926=7...(12) HA THR 13 - HG12 ILE 35 OK 14 73 - 19 - ~19=7, 6151/3.2=4...(6) HA ARG 45 - HG12 ILE 35 OK 12 100 - 12 - 2139/1.8=2, 2118/3.0=2...(6) Peak 2133 from cnoeabs.peaks (1.87, 1.14, 26.82 ppm; 3.46 A): 4 out of 10 assignments used, quality = 1.00: * HB ILE 35 + HG12 ILE 35 OK 100 100 - 100 - 3.0=100 HB3 GLN 58 + HG12 ILE 35 OK 69 87 - 79 - ~4742=12, 2.9/5278=12...(26) HB3 PRO 84 + HG12 ILE 35 OK 54 85 - 64 - ~4743=8, 2.3/2132=6...(27) HB2 GLU 49 + HG12 ILE 35 OK 53 63 - 85 - 1.8/4968=16, ~4970=14...(29) HG3 PRO 19 - HG12 ILE 35 OK 26 99 - 26 - 4375/3.2=4, ~4353=3...(10) HB3 LYS 78 - HG12 ILE 35 OK 15 100 - 15 - 4.4/4720=2, 2147/2.1=2...(5) HB3 MET 11 - HG12 ILE 35 OK 11 85 - 12 - 2147/2.1=1, 3.0/6165=1...(4) HG2 PRO 81 - HG12 ILE 35 OK 10 95 - 11 - 3485/5282=1 HB2 MET 11 - HG12 ILE 35 OK 10 81 - 12 - 3.0/6165=1, ~4743=1, 2147/2.1=1 HB3 GLU 37 - HG12 ILE 35 lone 9 96 - 9 - Peak 2134 from cnoeabs.peaks (0.82, 1.14, 26.82 ppm; 3.25 A): 3 out of 8 assignments used, quality = 1.00: * QG2 ILE 35 + HG12 ILE 35 OK 100 100 - 100 - 3.2=100 QG1 VAL 47 + HG12 ILE 35 OK 67 100 - 67 - 4837/2.1=16, 2.1/4838=13...(27) QG2 VAL 47 + HG12 ILE 35 OK 56 89 - 63 - 2.1/4838=13, ~4837=9...(22) HG3 LYS 68 - HG12 ILE 35 OK 33 81 - 41 - 3.0/2136=4, 3.0/2136=4...(20) QD2 LEU 73 - HG12 ILE 35 OK 18 90 - 20 - 6147/3.0=3, 5714/4.2=3...(7) QD2 LEU 85 - HG12 ILE 35 lone 6 95 - 6 - HD2 LYS 26 - HG12 ILE 35 lone 4 68 - 6 - QD2 LEU 87 - HG12 ILE 35 lone 3 83 - 3 - Peak 2135 from cnoeabs.peaks (1.14, 1.14, 26.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 35 + HG12 ILE 35 OK 100 100 - 100 Peak 2136 from cnoeabs.peaks (1.23, 1.14, 26.82 ppm; 3.01 A): 1 out of 10 assignments used, quality = 1.00: * HG13 ILE 35 + HG12 ILE 35 OK 100 100 - 100 - 1.8=100 QD1 LEU 34 - HG12 ILE 35 OK 42 95 - 45 - 3921/4.5=9, 4.0/4725=8...(17) HD3 LYS 68 - HG12 ILE 35 OK 41 100 - 41 - 2150/2.1=5, 2122/3.0=3...(18) HD2 LYS 68 - HG12 ILE 35 OK 41 100 - 41 - 2150/2.1=5, 2122/3.0=3...(18) HG2 LYS 17 - HG12 ILE 35 OK 12 98 - 12 - 3921/4.5=3, 2150/2.1=2...(4) HB2 LEU 79 - HG12 ILE 35 lone 5 78 - 7 - 4.0/4720=1 HG3 LYS 26 - HG12 ILE 35 lone 5 73 - 7 - QG2 THR 83 - HG12 ILE 35 lone 4 89 - 5 - HB3 LEU 23 - HG12 ILE 35 lone 3 57 - 4 - HG2 LYS 14 - HG12 ILE 35 lone 1 63 - 1 - Peak 2137 from cnoeabs.peaks (0.65, 1.14, 26.82 ppm; 3.36 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 35 + HG12 ILE 35 OK 100 100 - 100 - 2.1=100 QD2 LEU 12 + HG12 ILE 35 OK 49 97 - 51 - 2144/1.8=11, 2123/3.0=8...(18) Peak 2138 from cnoeabs.peaks (8.98, 1.23, 26.82 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.98: * H ILE 35 + HG13 ILE 35 OK 98 100 - 98 - 4.5=63, 2131/1.8=36...(26) Peak 2139 from cnoeabs.peaks (4.36, 1.23, 26.82 ppm; 4.43 A): 2 out of 5 assignments used, quality = 1.00: * HA ILE 35 + HG13 ILE 35 OK 100 100 - 100 - 4.2=100 HA PRO 84 + HG13 ILE 35 OK 71 98 - 73 - 2146/2.1=13, 2132/1.8=11...(20) HA LYS 44 - HG13 ILE 35 OK 41 81 - 51 - 3.0/3926=10, ~3925=7...(11) HA THR 13 - HG13 ILE 35 OK 14 73 - 19 - ~19=6, 6151/3.2=4...(6) HA ARG 45 - HG13 ILE 35 OK 12 100 - 12 - 2132/1.8=2, 2118/3.0=2...(5) Peak 2140 from cnoeabs.peaks (1.87, 1.23, 26.82 ppm; 3.54 A): 4 out of 10 assignments used, quality = 1.00: * HB ILE 35 + HG13 ILE 35 OK 100 100 - 100 - 3.0=100 HB3 GLN 58 + HG13 ILE 35 OK 69 87 - 79 - ~4742=13, ~4728=10...(27) HB3 PRO 84 + HG13 ILE 35 OK 55 85 - 65 - ~4743=8, 2.3/2139=7...(28) HB2 GLU 49 + HG13 ILE 35 OK 53 63 - 84 - ~4970=15, 4963/2.1=14...(28) HG3 PRO 19 - HG13 ILE 35 OK 27 99 - 27 - 4375/3.2=4, ~4353=3...(12) HB3 LYS 78 - HG13 ILE 35 OK 15 100 - 14 - 2147/2.1=2, 2133/1.8=2...(5) HB3 MET 11 - HG13 ILE 35 OK 11 85 - 12 - 2147/2.1=1, ~4743=1...(5) HB2 MET 11 - HG13 ILE 35 poor 10 81 - 12 - ~4743=1, 2147/2.1=1...(5) HB3 GLU 37 - HG13 ILE 35 poor 10 96 - 10 - HG2 PRO 81 - HG13 ILE 35 lone 9 95 - 10 - 2133/1.8=1, 2147/2.1=1 Peak 2141 from cnoeabs.peaks (0.82, 1.23, 26.82 ppm; 3.33 A): 3 out of 8 assignments used, quality = 1.00: * QG2 ILE 35 + HG13 ILE 35 OK 100 100 - 100 - 3.2=100 QG1 VAL 47 + HG13 ILE 35 OK 70 100 - 71 - 4837/2.1=17, ~4838=11...(25) QG2 VAL 47 + HG13 ILE 35 OK 58 89 - 66 - ~4838=11, ~4837=10...(26) HG3 LYS 68 - HG13 ILE 35 OK 33 81 - 41 - 3070=4, 2148/2.1=4...(21) QD2 LEU 73 - HG13 ILE 35 OK 19 90 - 21 - 5714/4.2=4, 6147/3.0=4...(7) QD2 LEU 85 - HG13 ILE 35 lone 6 95 - 6 - HD2 LYS 26 - HG13 ILE 35 lone 5 68 - 7 - QD2 LEU 87 - HG13 ILE 35 lone 3 83 - 3 - Peak 2142 from cnoeabs.peaks (1.14, 1.23, 26.82 ppm; 2.99 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 35 + HG13 ILE 35 OK 100 100 - 100 - 1.8=100 QG1 VAL 66 - HG13 ILE 35 OK 11 68 - 15 - 2149/2.1=3, 2121/3.0=3...(5) Peak 2143 from cnoeabs.peaks (1.23, 1.23, 26.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 35 + HG13 ILE 35 OK 100 100 - 100 Peak 2144 from cnoeabs.peaks (0.65, 1.23, 26.82 ppm; 3.39 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 35 + HG13 ILE 35 OK 100 100 - 100 - 2.1=100 QD2 LEU 12 + HG13 ILE 35 OK 48 97 - 50 - 2137/1.8=12, 2123/3.0=8...(12) Peak 2145 from cnoeabs.peaks (8.98, 0.65, 10.73 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.98: * H ILE 35 + QD1 ILE 35 OK 98 100 - 98 - 4.8=55, 2138/2.1=36...(21) Peak 2146 from cnoeabs.peaks (4.36, 0.65, 10.73 ppm; 2.96 A): 3 out of 5 assignments used, quality = 0.92: * HA ILE 35 + QD1 ILE 35 OK 84 100 - 84 - 2116=37, 2114/2.1=17...(18) HA PRO 84 + QD1 ILE 35 OK 41 98 - 42 - 2.3/4743=8, 2125/3.1=5...(15) HA LYS 44 + QD1 ILE 35 OK 20 81 - 24 - 3.0/3927=4, 2125/3.1=3...(11) HA THR 13 - QD1 ILE 35 lone 7 73 - 10 - 3.0/19=4, 6151/3.1=2 HA ARG 45 - QD1 ILE 35 lone 5 100 - 5 - Peak 2147 from cnoeabs.peaks (1.87, 0.65, 10.73 ppm; 3.00 A): 4 out of 10 assignments used, quality = 0.99: * HB ILE 35 + QD1 ILE 35 OK 93 100 - 94 - 3.2=80, 2.1/2130=24...(19) HB3 GLN 58 + QD1 ILE 35 OK 60 87 - 69 - 2.9/4742=15, 2.9/5285=11...(24) HB2 GLU 49 + QD1 ILE 35 OK 47 63 - 75 - 1.8/4970=15, 3.0/4729=13...(27) HB3 PRO 84 + QD1 ILE 35 OK 45 85 - 54 - 1.8/4743=9, 2.3/2146=8...(23) HG3 PRO 19 - QD1 ILE 35 OK 20 99 - 20 - 4375/3.1=3, 2.3/4362=2...(6) HB3 LYS 78 - QD1 ILE 35 OK 13 100 - 12 - 4.4/4718=2, 2133/2.1=1 HB3 MET 11 - QD1 ILE 35 OK 11 85 - 13 - 4.2/527=3, 3.0/4743=2 HB2 MET 11 - QD1 ILE 35 OK 10 81 - 13 - 4.2/527=3, 3.0/4743=2 HG2 PRO 81 - QD1 ILE 35 lone 8 95 - 8 - 3485/5285=1 HB3 GLU 37 - QD1 ILE 35 lone 6 96 - 6 - Peak 2148 from cnoeabs.peaks (0.82, 0.65, 10.73 ppm; 2.58 A): 3 out of 8 assignments used, quality = 0.95: * QG2 ILE 35 + QD1 ILE 35 OK 80 100 - 80 - 3.1=58, 3.2/2116=12...(21) QG1 VAL 47 + QD1 ILE 35 OK 53 100 - 53 - 4837=10, ~4838=5...(21) QG2 VAL 47 + QD1 ILE 35 OK 42 89 - 47 - 2.1/4837=9, ~4838=5...(20) HG3 LYS 68 - QD1 ILE 35 OK 22 81 - 28 - 3.0/2150=3, 3.0/2150=3...(9) QD2 LEU 73 - QD1 ILE 35 OK 11 90 - 12 - 5714/4.1=2, 6147/3.2=2...(4) QD2 LEU 85 - QD1 ILE 35 lone 4 95 - 4 - HD2 LYS 26 - QD1 ILE 35 lone 2 68 - 3 - QD2 LEU 87 - QD1 ILE 35 lone 2 83 - 2 - Peak 2149 from cnoeabs.peaks (1.14, 0.65, 10.73 ppm; 3.03 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 35 + QD1 ILE 35 OK 100 100 - 100 - 2.1=100 QG1 VAL 66 - QD1 ILE 35 OK 11 68 - 16 - 2142/2.1=3, 2128/3.1=3...(5) Peak 2150 from cnoeabs.peaks (1.23, 0.65, 10.73 ppm; 3.09 A): 2 out of 10 assignments used, quality = 1.00: * HG13 ILE 35 + QD1 ILE 35 OK 100 100 - 100 - 2.1=100 QD1 LEU 34 + QD1 ILE 35 OK 45 95 - 48 - 3921/4.8=8, 4.0/4731=8...(18) HD3 LYS 68 - QD1 ILE 35 OK 43 100 - 44 - 2136/2.1=5, 2129/3.1=4...(17) HD2 LYS 68 - QD1 ILE 35 OK 43 100 - 44 - 2136/2.1=5, 2129/3.1=4...(17) HG2 LYS 17 - QD1 ILE 35 OK 14 98 - 14 - 3921/4.8=3, 2136/2.1=2...(6) HB2 LEU 79 - QD1 ILE 35 lone 7 78 - 9 - 4.0/4718=2 QG2 THR 83 - QD1 ILE 35 lone 7 89 - 7 - 4.2/4362=2 HG3 LYS 26 - QD1 ILE 35 lone 6 73 - 7 - HB3 LEU 23 - QD1 ILE 35 lone 3 57 - 5 - HG2 LYS 14 - QD1 ILE 35 lone 1 63 - 2 - Peak 2151 from cnoeabs.peaks (0.65, 0.65, 10.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 35 + QD1 ILE 35 OK 100 100 - 100 Peak 2152 from cnoeabs.peaks (7.56, 4.56, 57.61 ppm; 3.68 A): 1 out of 4 assignments used, quality = 1.00: * H SER 36 + HA SER 36 OK 100 100 - 100 - 2.9=100 H LYS 44 - HA SER 36 OK 19 97 - 20 - 4793/3.0=7, 2160/3.0=5...(6) HE22 GLN 55 - HA SER 36 lone 5 71 - 7 - 2160/3.0=1, 2156/3.0=1, 676=1 HD21 ASN 63 - HA SER 36 lone 5 78 - 6 - 2156/3.0=1, 2160/3.0=1 Peak 2153 from cnoeabs.peaks (4.56, 4.56, 57.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 36 + HA SER 36 OK 100 100 - 100 Peak 2154 from cnoeabs.peaks (3.75, 4.56, 57.61 ppm; 3.17 A): 1 out of 3 assignments used, quality = 1.00: * HB2 SER 36 + HA SER 36 OK 100 100 - 100 - 3.0=100 HA LYS 65 - HA SER 36 poor 10 89 - 11 - 677/2.9=3, 170/3.6=2, 2162/3.0=2 HA2 GLY 40 - HA SER 36 lone 4 95 - 4 - 677/2.9=1 Peak 2155 from cnoeabs.peaks (3.57, 4.56, 57.61 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 36 + HA SER 36 OK 100 100 - 100 - 3.0=100 HD3 ARG 27 - HA SER 36 OK 19 92 - 21 - 2159/3.0=4, 678/2.9=4...(9) Peak 2156 from cnoeabs.peaks (7.56, 3.75, 64.54 ppm; 4.08 A): 1 out of 4 assignments used, quality = 1.00: * H SER 36 + HB2 SER 36 OK 100 100 - 100 - 4.0=100 H LYS 44 - HB2 SER 36 OK 39 97 - 41 - 4793=9, 2160/1.8=8...(12) HE22 GLN 55 - HB2 SER 36 poor 8 71 - 11 - 2160/1.8=2, 677=2, 2152/3.0=1 HD21 ASN 63 - HB2 SER 36 lone 8 78 - 10 - 2160/1.8=2, 2152/3.0=1 Peak 2157 from cnoeabs.peaks (4.56, 3.75, 64.54 ppm; 3.45 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 36 + HB2 SER 36 OK 100 100 - 100 - 3.0=100 HA THR 83 - HB2 SER 36 OK 15 99 - 15 - 2161/1.8=5, 676/4.0=2...(7) HA ASP 88 - HB2 SER 36 lone 1 60 - 2 - HA HIS 10 - HB2 SER 36 lone 1 73 - 1 - Peak 2158 from cnoeabs.peaks (3.75, 3.75, 64.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 36 + HB2 SER 36 OK 100 100 - 100 Peak 2159 from cnoeabs.peaks (3.57, 3.75, 64.54 ppm; 2.58 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 36 + HB2 SER 36 OK 100 100 - 100 - 1.8=100 HD3 ARG 27 - HB2 SER 36 OK 13 92 - 14 - 2155/3.0=2, ~1805=2...(9) Peak 2160 from cnoeabs.peaks (7.56, 3.57, 64.54 ppm; 3.97 A): 1 out of 4 assignments used, quality = 0.98: * H SER 36 + HB3 SER 36 OK 98 100 - 98 - 4.0=95, 677/1.8=27...(10) H LYS 44 - HB3 SER 36 OK 28 97 - 29 - 2156/1.8=9, 2152/3.0=5...(11) HE22 GLN 55 - HB3 SER 36 lone 7 71 - 10 - 2156/1.8=2, 678=2, 2152/3.0=1 HD21 ASN 63 - HB3 SER 36 lone 6 78 - 8 - 2156/1.8=2, 2152/3.0=1 Peak 2161 from cnoeabs.peaks (4.56, 3.57, 64.54 ppm; 3.64 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 36 + HB3 SER 36 OK 100 100 - 100 - 3.0=100 HA THR 83 - HB3 SER 36 OK 16 99 - 16 - 2157/1.8=5, 676/4.0=3...(7) HA ASP 88 - HB3 SER 36 lone 1 60 - 2 - HA HIS 10 - HB3 SER 36 lone 1 73 - 1 - Peak 2162 from cnoeabs.peaks (3.75, 3.57, 64.54 ppm; 2.57 A): 1 out of 3 assignments used, quality = 1.00: * HB2 SER 36 + HB3 SER 36 OK 100 100 - 100 - 1.8=100 HA LYS 65 - HB3 SER 36 lone 7 89 - 8 - 2154/3.0=1, 677/4.0=1 HA2 GLY 40 - HB3 SER 36 lone 3 95 - 3 - Peak 2163 from cnoeabs.peaks (3.57, 3.57, 64.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 36 + HB3 SER 36 OK 100 100 - 100 Peak 2165 from cnoeabs.peaks (4.82, 4.82, 54.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 37 + HA GLU 37 OK 100 100 - 100 Peak 2166 from cnoeabs.peaks (1.81, 4.82, 54.87 ppm; 3.99 A): 2 out of 14 assignments used, quality = 1.00: * HB2 GLU 37 + HA GLU 37 OK 100 100 - 100 - 3.0=100 HG3 GLU 37 + HA GLU 37 OK 63 63 - 100 - 3.8=100 HB VAL 66 - HA GLU 37 OK 19 65 - 29 - 2171=6, ~3009=3, ~3006=3...(13) HB2 MET 48 - HA GLU 37 OK 16 78 - 20 - 2189=4, 2184/3.8=3...(11) HB2 LYS 44 - HA GLU 37 OK 11 100 - 11 - 174/3.6=2, 681/2.9=2 HB2 LYS 31 - HA GLU 37 OK 10 60 - 17 - 1928/3.6=6, 3.9/3931=5...(4) HB2 LYS 65 - HA GLU 37 poor 7 63 - 11 - 2171=2, ~170=2, 681/2.9=1 HG3 GLU 51 - HA GLU 37 lone 6 99 - 6 - 5083/6195=1 HB3 GLU 33 - HA GLU 37 lone 6 100 - 6 - 174/3.6=1 HG2 GLU 51 - HA GLU 37 lone 6 99 - 6 - 5083/6195=1 HG LEU 76 - HA GLU 37 lone 6 99 - 6 - HB2 GLU 22 - HA GLU 37 lone 5 65 - 7 - HB2 LYS 91 - HA GLU 37 lone 1 76 - 2 - HB2 ARG 28 - HA GLU 37 lone 1 60 - 2 - Peak 2167 from cnoeabs.peaks (1.86, 4.82, 54.87 ppm; 3.70 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLU 37 + HA GLU 37 OK 100 100 - 100 - 3.0=100 HB VAL 66 - HA GLU 37 OK 28 85 - 33 - 2177=9, 2176/2.9=3...(14) HB ILE 35 - HA GLU 37 OK 14 96 - 15 - 682/2.9=4, 2185/3.8=2...(6) HB3 PRO 84 - HA GLU 37 OK 13 99 - 13 - 4116/2.9=3, ~4114=1...(5) HG3 PRO 19 - HA GLU 37 lone 10 99 - 10 - 175/3.6=2, 2185/3.8=1, 682/2.9=1 HB3 LYS 78 - HA GLU 37 lone 10 98 - 10 - 2185/3.8=1, 3314/3.8=1 HB2 GLU 49 - HA GLU 37 lone 9 90 - 9 - 2185/3.8=1, 682/2.9=1 HB2 GLU 22 - HA GLU 37 lone 8 85 - 9 - 175/3.6=1, 2185/3.8=1 HG2 PRO 81 - HA GLU 37 lone 5 100 - 5 - Peak 2168 from cnoeabs.peaks (1.50, 4.82, 54.87 ppm; 3.64 A): 2 out of 13 assignments used, quality = 0.96: * HG2 GLU 37 + HA GLU 37 OK 92 100 - 92 - 3.8=88, 3934/3.6=7...(10) HG LEU 34 + HA GLU 37 OK 48 95 - 51 - 2.1/6195=17, 2.1/6196=14...(12) HB2 ARG 45 - HA GLU 37 OK 14 99 - 14 - 6180/3.6=9, 683/2.9=1...(4) HB2 LYS 56 - HA GLU 37 OK 12 100 - 12 - 2623/6195=3, 176/3.6=1...(5) HG3 ARG 27 - HA GLU 37 OK 12 90 - 13 - 176/3.6=2, ~171=2...(6) HD2 LYS 17 - HA GLU 37 lone 9 99 - 9 - 3.0/6196=2 HD3 LYS 17 - HA GLU 37 lone 9 99 - 9 - 3.0/6196=2 HB2 LEU 85 - HA GLU 37 lone 6 97 - 6 - 3578/2.9=1 QB ALA 72 - HA GLU 37 lone 5 98 - 5 - HB3 LYS 26 - HA GLU 37 lone 4 90 - 4 - QB ALA 71 - HA GLU 37 lone 4 87 - 5 - HD3 LYS 64 - HA GLU 37 lone 3 78 - 4 - HG LEU 79 - HA GLU 37 lone 1 65 - 1 - Peak 2169 from cnoeabs.peaks (1.79, 4.82, 54.87 ppm; 4.12 A): 2 out of 17 assignments used, quality = 1.00: * HG3 GLU 37 + HA GLU 37 OK 100 100 - 100 - 3.8=100 HB2 GLU 37 + HA GLU 37 OK 63 63 - 100 - 3.0=100 HB2 MET 48 - HA GLU 37 OK 28 99 - 28 - 2189=7, 2187/3.8=4...(12) HB2 LYS 31 - HA GLU 37 OK 25 100 - 25 - 1928/3.6=11, 3.9/3931=5...(6) HB2 ARG 27 - HA GLU 37 OK 16 96 - 16 - 177/3.6=3, 1767/4.7=2...(6) HB2 LYS 65 - HA GLU 37 OK 12 100 - 11 - ~170=2, 2171=2, 684/2.9=1 HD3 LYS 78 - HA GLU 37 OK 11 100 - 11 - 3350/3.0=2, 3.7/2167=1 QB ALA 74 - HA GLU 37 lone 7 96 - 7 - 5735/5268=3 HB2 LYS 44 - HA GLU 37 lone 5 65 - 7 - 174/3.6=2, 681/2.9=1 QE MET 11 - HA GLU 37 lone 5 85 - 6 - 4252/2.9=2, 4244/6195=1 HG2 GLU 51 - HA GLU 37 lone 4 83 - 5 - HG3 GLU 51 - HA GLU 37 lone 4 81 - 5 - HG LEU 76 - HA GLU 37 lone 4 83 - 5 - HB2 ARG 28 - HA GLU 37 lone 3 100 - 3 - HB3 GLU 33 - HA GLU 37 lone 3 65 - 4 - HB2 LYS 91 - HA GLU 37 lone 3 100 - 3 - HB3 ARG 28 - HA GLU 37 lone 2 81 - 3 - Peak 2170 from cnoeabs.peaks (8.32, 1.81, 31.82 ppm; 4.21 A): 1 out of 21 assignments used, quality = 1.00: * H GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 4.1=100 H TYR 70 - HB VAL 66 OK 19 47 - 41 - 5585/2.1=18, 1061/3.0=16...(8) H GLU 37 - HB VAL 66 OK 14 59 - 24 - 4780/2.1=5, 2.9/2171=4...(8) H TYR 70 - HB2 GLU 37 lone 8 89 - 9 - 4.6/5578=2, 5590/3.0=1 H LEU 85 - HB2 GLU 37 lone 8 97 - 8 - 399/1.8=2, 172/4.4=1 H LYS 64 - HB2 LYS 65 poor 8 32 - 23 - 290/3.8=10, ~5428=6...(6) H GLU 37 - HB2 LYS 65 poor 7 60 - 12 - 170/3.0=4, 2.9/2171=2, 681=2 H ALA 60 - HB2 GLU 37 lone 5 99 - 5 - H LYS 64 - HB VAL 66 poor 5 32 - 15 - 4.6/5392=9, ~5423=4 H ALA 72 - HB2 GLU 37 lone 5 57 - 8 - H LEU 85 - HB VAL 66 lone 4 55 - 7 - 1013/4.0=2 H LEU 85 - HB2 LYS 65 lone 4 55 - 6 - 1013/4.4=2 H ALA 60 - HB VAL 66 lone 4 56 - 6 - 5353/5510=2 H GLY 16 - HB2 LYS 65 poor 3 31 - 11 - ~4307=3, 290/3.8=2...(6) H LYS 64 - HB2 GLU 37 lone 3 65 - 4 - H ALA 72 - HB VAL 66 lone 2 27 - 7 - 4185/3.0=2 H TYR 70 - HB2 LYS 65 lone 1 47 - 3 - H ALA 72 - HB2 LYS 65 lone 1 27 - 5 - H ALA 60 - HB2 LYS 65 lone 1 57 - 2 - H GLY 16 - HB2 GLU 37 lone 1 63 - 1 - H GLY 16 - HB VAL 66 lone 1 30 - 2 - Peak 2171 from cnoeabs.peaks (4.82, 1.81, 31.82 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 3.0=100 HA GLU 37 - HB VAL 66 OK 18 59 - 30 - 2166=4, ~3009=3, ~3006=3...(13) HA GLU 37 - HB2 LYS 65 poor 7 60 - 11 - ~170=2, 2166=1, 2.9/681=1 Peak 2172 from cnoeabs.peaks (1.81, 1.81, 31.82 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 37 + HB2 GLU 37 OK 100 100 - 100 HB VAL 66 - HB VAL 66 OK 32 32 - 100 HB2 LYS 65 - HB2 LYS 65 OK 31 31 - 100 Peak 2173 from cnoeabs.peaks (1.86, 1.81, 31.82 ppm; 2.40 A): 1 out of 26 assignments used, quality = 1.00: * HB3 GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 1.8=100 HB VAL 66 - HB2 GLU 37 OK 14 85 - 17 - 2177/3.0=2, ~3009=1...(8) HB3 GLU 37 - HB VAL 66 poor 9 59 - 15 - 3006/2.1=2, 3005/2.1=2...(5) HG3 PRO 19 - HB VAL 66 poor 7 58 - 12 - 4374/2.1=2, ~5461=1...(6) HB ILE 35 - HB2 GLU 37 lone 5 96 - 5 - 682/4.1=1 HB2 GLU 22 - HB2 GLU 37 lone 5 85 - 5 - HB3 LYS 78 - HB2 LYS 65 lone 4 56 - 8 - 3312/3.0=1 HB3 LYS 78 - HB2 GLU 37 lone 4 98 - 4 - HB2 GLU 22 - HB VAL 66 lone 4 44 - 10 - ~4463=1, ~4460=1, 3009/2.1=1 HB3 PRO 84 - HB2 GLU 37 lone 4 99 - 4 - HG3 PRO 19 - HB2 GLU 37 lone 4 99 - 4 - HB2 GLU 49 - HB2 GLU 37 lone 4 90 - 4 - HB ILE 35 - HB VAL 66 lone 3 53 - 6 - 2121/2.1=2, ~2128=1 HB VAL 66 - HB2 LYS 65 lone 3 44 - 7 - 823/4.4=3, ~5464=2 HB3 GLU 37 - HB2 LYS 65 lone 2 60 - 3 - HG2 PRO 81 - HB2 GLU 37 lone 2 100 - 2 - HB3 PRO 84 - HB VAL 66 lone 2 57 - 3 - HB2 GLU 49 - HB VAL 66 lone 1 48 - 3 - HB ILE 35 - HB2 LYS 65 lone 1 53 - 2 - HB2 GLU 22 - HB2 LYS 65 lone 1 44 - 1 - HG3 PRO 19 - HB2 LYS 65 lone 1 58 - 1 - HG2 PRO 81 - HB VAL 66 lone 1 59 - 1 - HB3 LYS 78 - HB VAL 66 lone 1 55 - 1 - HG2 PRO 81 - HB2 LYS 65 lone 0 60 - 1 - HB2 GLU 49 - HB2 LYS 65 lone 0 48 - 1 - HB3 PRO 84 - HB2 LYS 65 lone 0 57 - 1 - Peak 2174 from cnoeabs.peaks (1.50, 1.81, 31.82 ppm; 3.22 A): 1 out of 39 assignments used, quality = 1.00: * HG2 GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 3.0=100 HG LEU 34 - HB2 GLU 37 OK 40 95 - 43 - ~6195=8, ~6196=7...(14) HD3 LYS 17 - HB2 LYS 65 OK 19 57 - 33 - 1382/1.8=2, ~2932=2...(13) HD2 LYS 17 - HB2 LYS 65 OK 19 57 - 33 - 1382/1.8=2, ~2932=2...(13) HB2 LYS 56 - HB2 GLU 37 OK 12 100 - 12 - 2180/1.8=1, 2168/3.0=1 HB2 ARG 45 - HB2 GLU 37 OK 11 99 - 11 - 6180/4.4=6, 2168/3.0=1 HG2 GLU 37 - HB VAL 66 OK 11 59 - 19 - 4776/2.1=2, 2184=2...(11) HB2 LYS 56 - HB2 LYS 65 OK 10 60 - 17 - 2624/3.0=1, 2.9/5216=1, ~2948=1 HG3 ARG 27 - HB2 GLU 37 lone 9 90 - 10 - 176/4.4=1, 2168/3.0=1 HB2 LYS 56 - HB VAL 66 poor 8 59 - 13 - 2623/2.1=2, ~5465=2...(5) HG3 ARG 27 - HB VAL 66 poor 8 48 - 16 - 1797/3.0=3, ~1789=2...(9) HD2 LYS 17 - HB2 GLU 37 lone 7 99 - 7 - HD3 LYS 17 - HB2 GLU 37 lone 7 99 - 7 - QB ALA 72 - HB2 GLU 37 lone 6 98 - 6 - HG LEU 34 - HB VAL 66 poor 6 52 - 12 - 2094/2.1=3, ~3000=1...(6) QB ALA 71 - HB2 GLU 37 lone 5 87 - 5 - HB3 LYS 26 - HB2 GLU 37 lone 5 90 - 5 - HG2 GLU 37 - HB2 LYS 65 lone 4 60 - 7 - HB2 LEU 85 - HB2 GLU 37 lone 4 97 - 4 - HG LEU 79 - HB2 LYS 65 poor 4 32 - 13 - ~5456=2, ~5455=2, ~5180=1 HD3 LYS 64 - HB2 LYS 65 lone 4 40 - 9 - ~5455=1 HG3 ARG 27 - HB2 LYS 65 lone 3 48 - 6 - HD3 LYS 64 - HB2 GLU 37 lone 3 78 - 4 - QB ALA 72 - HB2 LYS 65 lone 3 56 - 5 - 5672/3.0=1 HB2 LEU 85 - HB2 LYS 65 lone 3 54 - 5 - HG LEU 34 - HB2 LYS 65 lone 2 52 - 5 - QB ALA 72 - HB VAL 66 lone 2 55 - 3 - HB2 ARG 45 - HB2 LYS 65 lone 2 57 - 3 - HB3 LYS 26 - HB2 LYS 65 lone 2 48 - 3 - QB ALA 71 - HB2 LYS 65 lone 1 46 - 3 - QB ALA 71 - HB VAL 66 lone 1 45 - 3 - HD3 LYS 64 - HB VAL 66 lone 1 39 - 3 - ~5460=1 HB3 LYS 26 - HB VAL 66 lone 1 48 - 3 - HD3 LYS 17 - HB VAL 66 lone 1 57 - 2 - HD2 LYS 17 - HB VAL 66 lone 1 57 - 2 - HG LEU 79 - HB2 GLU 37 lone 1 65 - 2 - HB2 LEU 85 - HB VAL 66 lone 1 54 - 2 - HB2 ARG 45 - HB VAL 66 lone 1 57 - 1 - HG LEU 79 - HB VAL 66 lone 1 32 - 2 - Peak 2175 from cnoeabs.peaks (1.79, 1.81, 31.82 ppm; diagonal): 2 out of 2 assignments used, quality = 0.85: HB2 GLU 37 + HB2 GLU 37 OK 63 63 - 100 HB2 LYS 65 + HB2 LYS 65 OK 60 60 - 100 Reference assignment not found: HG3 GLU 37 - HB2 GLU 37 Peak 2176 from cnoeabs.peaks (8.32, 1.86, 31.82 ppm; 3.81 A): 3 out of 14 assignments used, quality = 0.94: * H GLU 37 + HB3 GLU 37 OK 90 100 - 90 - 4.1=82, 681/1.8=16...(8) H TYR 70 + HB VAL 66 OK 26 63 - 42 - 5585/2.1=14, 1061/3.0=13...(8) H GLU 37 + HB VAL 66 OK 21 78 - 27 - 2.9/2177=6, 682=5...(10) H TYR 70 - HB3 GLU 37 poor 9 89 - 10 - 3.6/5574=2, 3.6/5576=1 H LEU 85 - HB3 GLU 37 lone 8 97 - 8 - 399=2, 172/4.4=1 H LYS 64 - HB VAL 66 poor 7 44 - 17 - 4.6/5392=13, ~5423=3 H LEU 85 - HB VAL 66 lone 5 73 - 7 - 399=1, 1013/4.0=1 H ALA 60 - HB3 GLU 37 lone 4 99 - 4 - H ALA 60 - HB VAL 66 lone 4 75 - 5 - H ALA 72 - HB3 GLU 37 lone 4 57 - 6 - H LYS 64 - HB3 GLU 37 lone 3 65 - 4 - 4.6/5392=2 H ALA 72 - HB VAL 66 lone 3 38 - 7 - 4185/3.0=2 H GLY 16 - HB VAL 66 lone 1 42 - 2 - H GLY 16 - HB3 GLU 37 lone 1 63 - 1 - Peak 2177 from cnoeabs.peaks (4.82, 1.86, 31.82 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 37 + HB3 GLU 37 OK 100 100 - 100 - 3.0=100 HA GLU 37 - HB VAL 66 OK 27 78 - 35 - 2167=7, 2.9/2176=3...(15) Peak 2178 from cnoeabs.peaks (1.81, 1.86, 31.82 ppm; 2.40 A): 1 out of 27 assignments used, quality = 1.00: * HB2 GLU 37 + HB3 GLU 37 OK 100 100 - 100 - 1.8=100 HG3 GLU 37 - HB3 GLU 37 OK 34 63 - 54 - 3.0=51, 4.9/2176=3...(4) HB2 GLU 37 - HB VAL 66 OK 13 78 - 17 - 3.0/2177=2, ~3009=1...(8) HB VAL 66 - HB3 GLU 37 poor 10 65 - 15 - 2.1/3009=2, 2.1/3014=2...(5) HB2 MET 48 - HB3 GLU 37 poor 9 78 - 11 - 2184/3.0=1, 2191=1...(4) HB2 GLU 22 - HB VAL 66 lone 4 44 - 10 - ~4463=1, 3.0/1574=1...(4) HG LEU 76 - HB VAL 66 lone 4 75 - 5 - ~6206=1, ~6207=1 HG3 GLU 37 - HB VAL 66 lone 4 42 - 9 - 3.8/2177=2, 1.8/2185=2 HB2 LYS 44 - HB3 GLU 37 lone 3 100 - 3 - HB2 GLU 22 - HB3 GLU 37 lone 3 65 - 5 - HB2 LYS 44 - HB VAL 66 lone 3 78 - 4 - ~5466=1 HB2 LYS 65 - HB VAL 66 lone 3 42 - 7 - 4.4/823=3, ~5464=2 HB3 GLU 33 - HB VAL 66 lone 3 78 - 3 - ~4652=2 HB2 LYS 31 - HB3 GLU 37 lone 3 60 - 4 - 1928/4.4=2, 3.9/3933=1 HG LEU 76 - HB3 GLU 37 lone 2 99 - 2 - HB2 LYS 65 - HB3 GLU 37 lone 2 63 - 3 - HB3 GLU 33 - HB3 GLU 37 lone 2 100 - 2 - HG3 GLU 51 - HB3 GLU 37 lone 2 99 - 2 - HG2 GLU 51 - HB3 GLU 37 lone 2 99 - 2 - HB2 MET 48 - HB VAL 66 lone 1 54 - 3 - HG3 GLU 51 - HB VAL 66 lone 1 75 - 1 - HG2 GLU 51 - HB VAL 66 lone 1 75 - 1 - HB2 LYS 91 - HB3 GLU 37 lone 0 76 - 1 - HB2 LYS 91 - HB VAL 66 lone 0 52 - 1 - HB2 ARG 28 - HB3 GLU 37 lone 0 60 - 1 - HB2 LYS 31 - HB VAL 66 lone 0 40 - 1 - HB2 ARG 28 - HB VAL 66 lone 0 40 - 1 - Peak 2179 from cnoeabs.peaks (1.86, 1.86, 31.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 37 + HB3 GLU 37 OK 100 100 - 100 HB VAL 66 + HB VAL 66 OK 60 60 - 100 Peak 2180 from cnoeabs.peaks (1.50, 1.86, 31.82 ppm; 3.44 A): 2 out of 26 assignments used, quality = 1.00: * HG2 GLU 37 + HB3 GLU 37 OK 100 100 - 100 - 3.0=100 HG LEU 34 + HB3 GLU 37 OK 46 95 - 49 - ~6195=10, ~6196=8...(15) HG2 GLU 37 - HB VAL 66 OK 22 78 - 28 - 2185=5, 3.8/2177=4...(14) HG3 ARG 27 - HB VAL 66 OK 13 65 - 21 - 1797/3.0=3, ~1789=3...(11) HB2 LYS 56 - HB3 GLU 37 OK 13 100 - 13 - 2174/1.8=1, 2168/3.0=1, ~4776=1 HB2 ARG 45 - HB3 GLU 37 OK 13 99 - 13 - 6180/4.4=7, 2168/3.0=2 HB2 LYS 56 - HB VAL 66 OK 13 78 - 16 - 2623/2.1=2, ~5465=2...(6) HG LEU 34 - HB VAL 66 OK 12 69 - 17 - 2.1/4678=4, 2094/2.1=3...(8) HG3 ARG 27 - HB3 GLU 37 OK 11 90 - 12 - 176/4.4=2, 2168/3.0=1 HD3 LYS 17 - HB3 GLU 37 lone 9 99 - 8 - ~6196=1, 2168/3.0=1 HD2 LYS 17 - HB3 GLU 37 lone 9 99 - 8 - ~6196=1, 2168/3.0=1 QB ALA 72 - HB3 GLU 37 lone 7 98 - 7 - HB2 LEU 85 - HB3 GLU 37 lone 5 97 - 6 - HB3 LYS 26 - HB3 GLU 37 lone 5 90 - 6 - QB ALA 71 - HB3 GLU 37 lone 5 87 - 6 - QB ALA 72 - HB VAL 66 lone 4 74 - 6 - HD3 LYS 64 - HB3 GLU 37 lone 3 78 - 4 - QB ALA 71 - HB VAL 66 lone 3 61 - 5 - HB3 LYS 26 - HB VAL 66 lone 3 65 - 4 - HD3 LYS 64 - HB VAL 66 lone 3 54 - 5 - ~5460=1 HD3 LYS 17 - HB VAL 66 lone 2 75 - 3 - HD2 LYS 17 - HB VAL 66 lone 2 75 - 3 - HB2 LEU 85 - HB VAL 66 lone 2 72 - 3 - HG LEU 79 - HB3 GLU 37 lone 2 65 - 3 - HG LEU 79 - HB VAL 66 lone 1 44 - 3 - HB2 ARG 45 - HB VAL 66 lone 1 75 - 1 - Peak 2181 from cnoeabs.peaks (1.79, 1.86, 31.82 ppm; 2.52 A): 3 out of 34 assignments used, quality = 0.88: HB2 GLU 37 + HB3 GLU 37 OK 63 63 - 100 - 1.8=100 * HG3 GLU 37 + HB3 GLU 37 OK 63 100 - 63 - 3.0=59, 4.9/2176=3...(4) HB2 MET 48 + HB3 GLU 37 OK 15 99 - 15 - 2191=2, 2187/3.0=2...(5) HG3 GLU 37 - HB VAL 66 poor 10 78 - 13 - 3.8/2177=2, 1.8/2185=2...(4) QE MET 11 - HB VAL 66 poor 9 60 - 14 - 4241/3.0=7, 4244/2.1=6 HD3 LYS 78 - HB3 GLU 37 lone 8 100 - 8 - 3350=1, 1.8/3340=1 HB2 LYS 31 - HB3 GLU 37 lone 7 100 - 7 - 1928/4.4=3, 3.9/3933=1 HB2 ARG 27 - HB VAL 66 lone 7 70 - 10 - 1773/3.0=1, ~1781=1, ~5466=1 HB2 LYS 65 - HB VAL 66 lone 7 78 - 9 - 4032/4.0=4, ~5464=2 HB2 GLU 37 - HB VAL 66 poor 6 42 - 15 - 3.0/2177=2, ~3009=2...(8) HB2 ARG 27 - HB3 GLU 37 lone 5 96 - 5 - HB2 LYS 65 - HB3 GLU 37 lone 4 100 - 4 - HG LEU 76 - HB VAL 66 lone 3 58 - 6 - ~6206=1, ~6207=1, ~5460=1 HB2 MET 48 - HB VAL 66 lone 3 76 - 4 - QE MET 11 - HB3 GLU 37 lone 2 85 - 2 - QB ALA 74 - HB3 GLU 37 lone 2 96 - 2 - HG LEU 76 - HB3 GLU 37 lone 2 83 - 2 - HB2 LYS 44 - HB3 GLU 37 lone 2 65 - 3 - HD3 LYS 78 - HB VAL 66 lone 1 77 - 2 - HG2 GLU 51 - HB3 GLU 37 lone 1 83 - 2 - HG3 GLU 51 - HB3 GLU 37 lone 1 81 - 2 - HB3 GLU 33 - HB VAL 66 lone 1 44 - 3 - ~4652=2 QB ALA 74 - HB VAL 66 lone 1 70 - 2 - HB2 LYS 44 - HB VAL 66 lone 1 44 - 3 - ~5466=1 HB2 ARG 28 - HB3 GLU 37 lone 1 100 - 1 - HB3 GLU 33 - HB3 GLU 37 lone 1 65 - 2 - HB2 LYS 91 - HB3 GLU 37 lone 1 100 - 1 - HG2 GLU 51 - HB VAL 66 lone 1 58 - 2 - HG3 GLU 51 - HB VAL 66 lone 1 56 - 2 - HB2 LYS 91 - HB VAL 66 lone 1 77 - 1 - HB3 ARG 28 - HB3 GLU 37 lone 1 81 - 1 - HB2 LYS 31 - HB VAL 66 lone 1 78 - 1 - HB2 ARG 28 - HB VAL 66 lone 1 78 - 1 - HB3 ARG 28 - HB VAL 66 lone 0 56 - 1 - Peak 2183 from cnoeabs.peaks (4.82, 1.50, 35.45 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 37 + HG2 GLU 37 OK 100 100 - 100 - 3.8=100 Peak 2184 from cnoeabs.peaks (1.81, 1.50, 35.45 ppm; 3.41 A): 2 out of 14 assignments used, quality = 1.00: * HB2 GLU 37 + HG2 GLU 37 OK 100 100 - 100 - 3.0=100 HG3 GLU 37 + HG2 GLU 37 OK 63 63 - 100 - 1.8=100 HB2 MET 48 - HG2 GLU 37 OK 27 78 - 35 - ~2417=4, ~2421=4...(16) HB VAL 66 - HG2 GLU 37 OK 14 65 - 21 - 2.1/4776=3, 2171/3.8=2...(12) HB2 LYS 44 - HG2 GLU 37 lone 7 100 - 7 - HB2 GLU 22 - HG2 GLU 37 lone 6 65 - 9 - HG LEU 76 - HG2 GLU 37 lone 5 99 - 5 - HB2 LYS 65 - HG2 GLU 37 lone 5 63 - 8 - HB2 LYS 31 - HG2 GLU 37 lone 5 60 - 8 - 3.9/3934=3 HB3 GLU 33 - HG2 GLU 37 lone 5 100 - 5 - HG3 GLU 51 - HG2 GLU 37 lone 4 99 - 4 - HG2 GLU 51 - HG2 GLU 37 lone 4 99 - 4 - HB2 LYS 91 - HG2 GLU 37 lone 1 76 - 2 - HB2 ARG 28 - HG2 GLU 37 lone 1 60 - 2 - Peak 2185 from cnoeabs.peaks (1.86, 1.50, 35.45 ppm; 3.91 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLU 37 + HG2 GLU 37 OK 100 100 - 100 - 3.0=100 HB VAL 66 - HG2 GLU 37 OK 29 85 - 35 - 2177/3.8=5, 2.1/4776=4...(14) HB ILE 35 - HG2 GLU 37 OK 16 96 - 17 - 682/4.9=3, 2167/3.8=2...(6) HB2 GLU 49 - HG2 GLU 37 OK 14 90 - 16 - 4988=2, 2191/1.8=1...(5) HG3 PRO 19 - HG2 GLU 37 OK 14 99 - 14 - 4378=2, 2167/3.8=1...(4) HB3 LYS 78 - HG2 GLU 37 OK 14 98 - 14 - 3314/1.8=2, 2167/3.8=1...(5) HB2 GLU 22 - HG2 GLU 37 OK 13 85 - 15 - 6121=2, 1.8/6120=1...(7) HB3 PRO 84 - HG2 GLU 37 OK 11 99 - 11 - 4116/4.9=2, 2167/3.8=2 HG2 PRO 81 - HG2 GLU 37 lone 6 100 - 6 - Peak 2186 from cnoeabs.peaks (1.50, 1.50, 35.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 37 + HG2 GLU 37 OK 100 100 - 100 Peak 2187 from cnoeabs.peaks (1.79, 1.50, 35.45 ppm; 3.30 A): 2 out of 17 assignments used, quality = 1.00: * HG3 GLU 37 + HG2 GLU 37 OK 100 100 - 100 - 1.8=100 HB2 GLU 37 + HG2 GLU 37 OK 63 63 - 100 - 3.0=100 HB2 MET 48 - HG2 GLU 37 OK 36 99 - 36 - ~2417=4, ~2421=4, 2192=4...(16) HB2 ARG 27 - HG2 GLU 37 OK 11 96 - 11 - HD3 LYS 78 - HG2 GLU 37 lone 10 100 - 9 - 3350/3.0=1, 3.7/2185=1 HB2 LYS 31 - HG2 GLU 37 lone 9 100 - 9 - 3.9/3934=2, 2169/3.8=1 HB2 LYS 65 - HG2 GLU 37 lone 8 100 - 8 - QB ALA 74 - HG2 GLU 37 lone 5 96 - 6 - HG LEU 76 - HG2 GLU 37 lone 4 83 - 5 - HB2 LYS 44 - HG2 GLU 37 lone 4 65 - 6 - QE MET 11 - HG2 GLU 37 lone 4 85 - 4 - HG2 GLU 51 - HG2 GLU 37 lone 3 83 - 3 - HB2 ARG 28 - HG2 GLU 37 lone 2 100 - 2 - HG3 GLU 51 - HG2 GLU 37 lone 2 81 - 3 - HB3 GLU 33 - HG2 GLU 37 lone 2 65 - 4 - HB2 LYS 91 - HG2 GLU 37 lone 2 100 - 2 - HB3 ARG 28 - HG2 GLU 37 lone 2 81 - 2 - Peak 2188 from cnoeabs.peaks (8.32, 1.79, 35.45 ppm; 6.19 A): 3 out of 14 assignments used, quality = 1.00: * H GLU 37 + HG3 GLU 37 OK 100 100 - 100 - 4.9=100 H LYS 64 + HB2 MET 48 OK 47 63 - 74 - ~4879=29, ~5426=28...(7) H ALA 60 + HB2 MET 48 OK 46 97 - 47 - 4.6/4911=22, 4901/4.0=14...(6) H TYR 70 - HB2 MET 48 OK 43 86 - 50 - 1058/4878=14, 4901/4.0=8...(15) H GLU 37 - HB2 MET 48 OK 38 99 - 38 - 2.9/2189=11, 4.9/2187=6...(7) H TYR 70 - HG3 GLU 37 OK 26 89 - 29 - 4.6/4774=4, 1058/4878=3...(12) H ALA 60 - HG3 GLU 37 OK 20 99 - 20 - 4.6/4911=8, 4901/2416=2...(6) H ALA 72 - HB2 MET 48 OK 19 55 - 34 - 1071/4878=9, 4901/4.0=3...(10) H LEU 85 - HG3 GLU 37 OK 14 97 - 14 - 399/3.0=2, 2170/3.0=2...(4) H LEU 85 - HB2 MET 48 OK 14 96 - 14 - 4901/4.0=2, 401/4.0=1...(4) H ALA 72 - HG3 GLU 37 OK 12 57 - 20 - 1071/4878=2, 2.9/5680=2...(6) H LYS 64 - HG3 GLU 37 poor 7 65 - 11 - 4.6/813=2 H GLY 16 - HB2 MET 48 lone 3 61 - 5 - H GLY 16 - HG3 GLU 37 lone 3 63 - 5 - Peak 2189 from cnoeabs.peaks (4.82, 1.79, 35.45 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 37 + HG3 GLU 37 OK 100 100 - 100 - 3.8=100 HA GLU 37 - HB2 MET 48 OK 32 99 - 32 - 3.8/2187=5, 2169=5...(12) Peak 2190 from cnoeabs.peaks (1.81, 1.79, 35.45 ppm; diagonal): 2 out of 2 assignments used, quality = 0.91: HB2 MET 48 + HB2 MET 48 OK 76 76 - 100 HG3 GLU 37 + HG3 GLU 37 OK 63 63 - 100 Reference assignment not found: HB2 GLU 37 - HG3 GLU 37 Peak 2191 from cnoeabs.peaks (1.86, 1.79, 35.45 ppm; 3.24 A): 2 out of 18 assignments used, quality = 1.00: * HB3 GLU 37 + HG3 GLU 37 OK 100 100 - 100 - 3.0=100 HB ILE 35 + HB2 MET 48 OK 47 94 - 51 - 4705/3.0=9, ~4708=9...(15) HB3 GLU 37 - HB2 MET 48 OK 27 99 - 28 - 3.0/2189=3, 3.0/2187=3...(14) HB VAL 66 - HG3 GLU 37 OK 21 85 - 25 - 2185/1.8=3, 2177/3.8=3...(15) HB2 GLU 49 - HB2 MET 48 OK 16 88 - 18 - 3.7/205=7, 4985/3.0=3...(6) HB3 LYS 78 - HG3 GLU 37 OK 14 98 - 14 - 3314=2, 2185/1.8=2, 1.8/3304=1 HB ILE 35 - HG3 GLU 37 OK 11 96 - 11 - 2185/1.8=2, 682/4.9=2...(4) HB2 GLU 49 - HG3 GLU 37 poor 10 90 - 11 - 3.7/3958=2, 2185/1.8=2 HB3 LYS 78 - HB2 MET 48 lone 10 96 - 10 - 3314=1 HG3 PRO 19 - HG3 GLU 37 lone 8 99 - 8 - 2185/1.8=2 HB2 GLU 22 - HG3 GLU 37 lone 8 85 - 9 - 2185/1.8=2 HB3 PRO 84 - HG3 GLU 37 lone 8 99 - 8 - 2185/1.8=1, 4116/4.9=1 HB3 PRO 84 - HB2 MET 48 lone 7 98 - 7 - 723/4.7=2 HB VAL 66 - HB2 MET 48 lone 6 83 - 7 - ~5464=1 HG3 PRO 19 - HB2 MET 48 lone 6 98 - 6 - ~4888=1 HG2 PRO 81 - HB2 MET 48 lone 5 99 - 5 - HG2 PRO 81 - HG3 GLU 37 lone 4 100 - 4 - HB2 GLU 22 - HB2 MET 48 lone 4 83 - 4 - Peak 2192 from cnoeabs.peaks (1.50, 1.79, 35.45 ppm; 3.19 A): 2 out of 26 assignments used, quality = 1.00: * HG2 GLU 37 + HG3 GLU 37 OK 100 100 - 100 - 1.8=100 HG LEU 34 + HB2 MET 48 OK 47 93 - 51 - ~4692=8, ~4673=8...(18) HG2 GLU 37 - HB2 MET 48 OK 33 99 - 33 - 2187=6, ~2417=4, ~2421=4...(14) HG LEU 34 - HG3 GLU 37 OK 30 95 - 32 - ~4776=4, 2168/3.8=4...(12) QB ALA 71 - HB2 MET 48 OK 26 85 - 31 - 4196/4878=5, 5659/1.8=5...(11) HB2 LYS 56 - HB2 MET 48 OK 18 99 - 19 - 1.8/4851=2, 5211/4.0=1...(7) HB3 LYS 26 - HB2 MET 48 OK 18 88 - 21 - 4859/3.0=1, 2.9/4778=1...(6) HD2 LYS 17 - HB2 MET 48 OK 16 98 - 17 - ~4692=2, ~4673=2...(4) HD3 LYS 17 - HB2 MET 48 OK 16 98 - 17 - ~4692=2, ~4673=2...(4) HD3 LYS 64 - HB2 MET 48 OK 16 76 - 21 - 5439/4.0=4, ~4863=3...(7) HB2 LYS 56 - HG3 GLU 37 OK 13 100 - 13 - ~4776=1, 2.9/4777=1 HG3 ARG 27 - HB2 MET 48 OK 12 88 - 14 - 1792=1 HG3 ARG 27 - HG3 GLU 37 OK 11 90 - 12 - QB ALA 71 - HG3 GLU 37 lone 8 87 - 9 - 4196/4878=1 QB ALA 72 - HB2 MET 48 lone 8 96 - 8 - QB ALA 72 - HG3 GLU 37 lone 7 98 - 7 - HD3 LYS 17 - HG3 GLU 37 lone 6 99 - 6 - HD2 LYS 17 - HG3 GLU 37 lone 6 99 - 6 - HB2 ARG 45 - HG3 GLU 37 lone 6 99 - 6 - 6180/3935=1, 2168/3.8=1 HB3 LYS 26 - HG3 GLU 37 lone 6 90 - 6 - HB2 LEU 85 - HB2 MET 48 lone 4 95 - 4 - HB2 LEU 85 - HG3 GLU 37 lone 4 97 - 4 - HD3 LYS 64 - HG3 GLU 37 lone 3 78 - 4 - HG LEU 79 - HB2 MET 48 lone 3 63 - 5 - HB2 ARG 45 - HB2 MET 48 lone 3 98 - 3 - HG LEU 79 - HG3 GLU 37 lone 2 65 - 3 - Peak 2193 from cnoeabs.peaks (1.79, 1.79, 35.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 37 + HG3 GLU 37 OK 100 100 - 100 HB2 MET 48 + HB2 MET 48 OK 98 98 - 100 Peak 2194 from cnoeabs.peaks (8.48, 4.61, 59.87 ppm; 3.99 A): 2 out of 2 assignments used, quality = 1.00: * H THR 38 + HA THR 38 OK 100 100 - 100 - 3.0=100 H LYS 31 + HA THR 38 OK 46 93 - 50 - 640=8, 2202/3.2=6...(17) Peak 2195 from cnoeabs.peaks (4.61, 4.61, 59.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 38 + HA THR 38 OK 100 100 - 100 Peak 2196 from cnoeabs.peaks (4.19, 4.61, 59.87 ppm; 3.25 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 38 + HA THR 38 OK 100 100 - 100 - 3.0=100 HA3 GLY 40 - HA THR 38 OK 19 85 - 22 - 180/3.6=6, 3.0/3936=4...(9) Peak 2197 from cnoeabs.peaks (1.08, 4.61, 59.87 ppm; 3.09 A): 2 out of 5 assignments used, quality = 0.94: * QG2 THR 38 + HA THR 38 OK 92 100 - 92 - 3.2=89, 2202/3.0=15...(4) QD2 LEU 34 + HA THR 38 OK 26 85 - 31 - 6195/4.7=7, 688/3.0=5...(12) HG2 LYS 56 - HA THR 38 lone 9 96 - 9 - 688/3.0=2, 2201/3.0=2 QG2 THR 13 - HA THR 38 lone 7 76 - 10 - 2203=2, 2202/3.0=2...(5) HG3 LYS 14 - HA THR 38 lone 2 85 - 3 - Peak 2198 from cnoeabs.peaks (8.48, 4.19, 71.53 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * H THR 38 + HB THR 38 OK 100 100 - 100 - 3.8=100 H LYS 31 - HB THR 38 OK 29 93 - 31 - 2194/3.0=11, 2202/2.1=9...(5) Peak 2199 from cnoeabs.peaks (4.61, 4.19, 71.53 ppm; 3.42 A): 1 out of 10 assignments used, quality = 1.00: * HA THR 38 + HB THR 38 OK 100 100 - 100 - 3.0=100 HA LYS 31 - HB THR 38 OK 23 92 - 26 - 1918/3.8=6, 2203/2.1=4...(10) HA ARG 27 - HB THR 38 OK 11 100 - 11 - 686/3.8=2, 2203/2.1=2...(4) HA LEU 12 - HB THR 38 lone 8 100 - 8 - 2203/2.1=1, ~4276=1, 3.7/4787=1 HA GLU 33 - HB THR 38 lone 7 83 - 8 - ~4652=4, 2203/2.1=2 HA ASN 24 - HB THR 38 lone 4 92 - 4 - HA ASN 63 - HB THR 38 lone 3 97 - 3 - HA ASP 43 - HB THR 38 lone 2 99 - 2 - HA ASP 82 - HB THR 38 lone 2 100 - 2 - HA HIS 42 - HB THR 38 lone 1 83 - 1 - Peak 2200 from cnoeabs.peaks (4.19, 4.19, 71.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 38 + HB THR 38 OK 100 100 - 100 Peak 2201 from cnoeabs.peaks (1.08, 4.19, 71.53 ppm; 3.01 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 38 + HB THR 38 OK 100 100 - 100 - 2.1=100 QD2 LEU 34 - HB THR 38 OK 15 85 - 18 - 2197/3.0=4, 688/3.8=4...(7) HG2 LYS 56 - HB THR 38 lone 8 96 - 8 - 2197/3.0=2, 688/3.8=1, ~4789=1 QG2 THR 13 - HB THR 38 lone 5 76 - 7 - 2204=2, 2197/3.0=1, 2202/3.8=1 HG3 LYS 14 - HB THR 38 lone 2 85 - 2 - Peak 2202 from cnoeabs.peaks (8.48, 1.08, 21.24 ppm; 3.52 A): 2 out of 4 assignments used, quality = 0.84: * H THR 38 + QG2 THR 38 OK 79 100 - 79 - 4.0=68, 3.0/2197=21...(4) H LYS 31 + QG2 THR 38 OK 22 93 - 24 - 2194/3.2=7, 2198/2.1=5...(8) H THR 38 - QG2 THR 13 poor 9 64 - 13 - 4784/3.2=4, 688=4...(4) H LYS 31 - QG2 THR 13 lone 1 55 - 2 - Peak 2203 from cnoeabs.peaks (4.61, 1.08, 21.24 ppm; 3.00 A): 3 out of 20 assignments used, quality = 0.90: * HA THR 38 + QG2 THR 38 OK 86 100 - 86 - 3.2=82, 3.0/2202=14...(4) HA LYS 31 + QG2 THR 38 OK 19 92 - 21 - 1918/4.0=4, 3.0/2202=4...(9) HA LEU 12 + QG2 THR 13 OK 12 63 - 19 - 3.6/531=7, 3.0/4276=2...(7) HA ARG 27 - QG2 THR 38 lone 9 100 - 9 - 2199/2.1=2, 686/4.0=1...(4) HA GLU 33 - QG2 THR 38 lone 7 83 - 9 - 3.0/4652=4, 2199/2.1=1 HA LEU 12 - QG2 THR 38 lone 6 100 - 6 - 2199/2.1=1 HA THR 38 - QG2 THR 13 lone 6 64 - 10 - 2197=3, 3.0/2202=2...(4) HA ASN 63 - QG2 THR 13 lone 4 59 - 6 - ~5396=3, 2.9/5394=2 HA ASN 24 - QG2 THR 38 lone 3 92 - 4 - HA ASN 63 - QG2 THR 38 lone 3 97 - 3 - HA GLU 33 - QG2 THR 13 lone 2 46 - 4 - 3.0/4652=3 HA ASP 43 - QG2 THR 38 lone 2 99 - 2 - HA ASP 82 - QG2 THR 38 lone 1 100 - 1 - HA ARG 27 - QG2 THR 13 lone 1 63 - 2 - HA ASN 24 - QG2 THR 13 lone 1 53 - 2 - HA LYS 31 - QG2 THR 13 lone 1 53 - 2 - HA HIS 42 - QG2 THR 38 lone 1 83 - 1 - HA ASP 82 - QG2 THR 13 lone 1 63 - 1 - HA ASP 43 - QG2 THR 13 lone 1 62 - 1 - HA HIS 42 - QG2 THR 13 lone 0 46 - 1 - Peak 2204 from cnoeabs.peaks (4.19, 1.08, 21.24 ppm; 2.82 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 38 + QG2 THR 38 OK 100 100 - 100 - 2.1=100 HA3 GLY 40 - QG2 THR 38 OK 14 85 - 17 - 180/4.2=3, 2196/3.2=3...(7) HB THR 38 - QG2 THR 13 lone 4 64 - 6 - 2201=2, 3.0/2197=1, 3.8/2202=1 HA3 GLY 40 - QG2 THR 13 lone 0 48 - 1 - Peak 2205 from cnoeabs.peaks (1.08, 1.08, 21.24 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 38 + QG2 THR 38 OK 100 100 - 100 QG2 THR 13 - QG2 THR 13 OK 41 41 - 100 Peak 2206 from cnoeabs.peaks (8.38, 3.72, 44.13 ppm; 3.31 A): 2 out of 6 assignments used, quality = 1.00: * H GLY 39 + HA2 GLY 39 OK 100 100 - 100 - 3.0=100 H GLY 40 + HA2 GLY 39 OK 89 100 - 89 - 3.5=82, 184/1.8=30...(7) H ASN 90 - HA2 GLY 39 lone 3 100 - 3 - H LEU 23 - HA2 GLY 39 lone 3 99 - 3 - H ARG 28 - HA2 GLY 39 lone 1 71 - 1 - H ALA 72 - HA2 GLY 39 lone 1 63 - 1 - Peak 2207 from cnoeabs.peaks (3.72, 3.72, 44.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 39 + HA2 GLY 39 OK 100 100 - 100 Peak 2208 from cnoeabs.peaks (4.27, 3.72, 44.13 ppm; 2.79 A): 1 out of 7 assignments used, quality = 1.00: * HA3 GLY 39 + HA2 GLY 39 OK 100 100 - 100 - 1.8=100 HA ALA 89 - HA2 GLY 39 lone 4 85 - 4 - 691/3.0=1 HA LYS 78 - HA2 GLY 39 lone 2 92 - 2 - HA ALA 86 - HA2 GLY 39 lone 1 83 - 1 - HA VAL 52 - HA2 GLY 39 lone 1 100 - 1 - HA LEU 85 - HA2 GLY 39 lone 1 96 - 1 - HA LEU 87 - HA2 GLY 39 lone 1 63 - 1 - Peak 2209 from cnoeabs.peaks (8.38, 4.27, 44.13 ppm; 3.63 A): 2 out of 6 assignments used, quality = 1.00: * H GLY 39 + HA3 GLY 39 OK 100 100 - 100 - 3.0=100 H GLY 40 + HA3 GLY 39 OK 100 100 - 100 - 3.5=100 H ASN 90 - HA3 GLY 39 lone 4 100 - 4 - 426=1 H LEU 23 - HA3 GLY 39 lone 3 99 - 3 - H ARG 28 - HA3 GLY 39 lone 1 71 - 1 - H ALA 72 - HA3 GLY 39 lone 1 63 - 1 - Peak 2210 from cnoeabs.peaks (3.72, 4.27, 44.13 ppm; 2.96 A): 1 out of 2 assignments used, quality = 1.00: * HA2 GLY 39 + HA3 GLY 39 OK 100 100 - 100 - 1.8=100 HA LYS 65 - HA3 GLY 39 lone 4 87 - 4 - Peak 2211 from cnoeabs.peaks (4.27, 4.27, 44.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 39 + HA3 GLY 39 OK 100 100 - 100 Peak 2212 from cnoeabs.peaks (8.38, 3.77, 44.35 ppm; 3.59 A): 1 out of 6 assignments used, quality = 1.00: * H GLY 40 + HA2 GLY 40 OK 100 100 - 100 - 3.0=100 H GLY 39 - HA2 GLY 40 OK 37 100 - 37 - ~183=11, 2215/1.8=10...(7) H LEU 23 - HA2 GLY 40 lone 2 99 - 2 - H ASN 90 - HA2 GLY 40 lone 1 100 - 1 - H ARG 28 - HA2 GLY 40 lone 1 71 - 1 - H ALA 72 - HA2 GLY 40 lone 1 63 - 1 - Peak 2213 from cnoeabs.peaks (3.77, 3.77, 44.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 40 + HA2 GLY 40 OK 100 100 - 100 Peak 2214 from cnoeabs.peaks (4.21, 3.77, 44.35 ppm; 2.86 A): 1 out of 3 assignments used, quality = 1.00: * HA3 GLY 40 + HA2 GLY 40 OK 100 100 - 100 - 1.8=100 HB THR 38 - HA2 GLY 40 OK 11 85 - 13 - 694/3.0=4, 4.4/2212=3...(6) HA LEU 30 - HA2 GLY 40 lone 1 87 - 1 - Peak 2215 from cnoeabs.peaks (8.38, 4.21, 44.35 ppm; 4.02 A): 2 out of 6 assignments used, quality = 1.00: * H GLY 40 + HA3 GLY 40 OK 100 100 - 100 - 3.0=100 H GLY 39 + HA3 GLY 40 OK 55 100 - 55 - ~183=14, 180=13, ~184=13...(9) H LEU 23 - HA3 GLY 40 lone 3 99 - 3 - H ASN 90 - HA3 GLY 40 lone 2 100 - 2 - H ARG 28 - HA3 GLY 40 lone 1 71 - 2 - H ALA 72 - HA3 GLY 40 lone 1 63 - 1 - Peak 2216 from cnoeabs.peaks (3.77, 4.21, 44.35 ppm; 2.94 A): 1 out of 4 assignments used, quality = 1.00: * HA2 GLY 40 + HA3 GLY 40 OK 100 100 - 100 - 1.8=100 HD3 PRO 19 - HA3 GLY 40 lone 2 71 - 3 - HB2 SER 36 - HA3 GLY 40 lone 2 95 - 2 - HA LYS 65 - HA3 GLY 40 lone 1 57 - 1 - Peak 2217 from cnoeabs.peaks (4.21, 4.21, 44.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 40 + HA3 GLY 40 OK 100 100 - 100 Peak 2218 from cnoeabs.peaks (4.63, 4.63, 56.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 42 + HA HIS 42 OK 100 100 - 100 Peak 2219 from cnoeabs.peaks (3.11, 4.63, 56.52 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 42 + HA HIS 42 OK 100 100 - 100 - 3.0=100 HE2 LYS 78 - HA HIS 42 lone 4 89 - 4 - HE3 LYS 78 - HA HIS 42 lone 3 87 - 4 - Peak 2220 from cnoeabs.peaks (3.20, 4.63, 56.52 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HB3 HIS 42 + HA HIS 42 OK 100 100 - 100 - 3.0=100 HD2 ARG 27 - HA HIS 42 OK 23 87 - 27 - 1799=5, 1.8/1807=3...(15) HD3 ARG 28 - HA HIS 42 lone 6 99 - 6 - HB2 PHE 80 - HA HIS 42 lone 2 73 - 2 - Peak 2221 from cnoeabs.peaks (7.09, 4.63, 56.52 ppm; 4.99 A): 1 out of 3 assignments used, quality = 1.00: * HD2 HIS 42 + HA HIS 42 OK 100 100 - 100 - 4.6=100 H MET 21 - HA HIS 42 lone 2 63 - 3 - HD22 ASN 18 - HA HIS 42 lone 2 60 - 3 - Peak 2222 from cnoeabs.peaks (4.63, 3.11, 29.88 ppm; 3.27 A): 1 out of 11 assignments used, quality = 1.00: * HA HIS 42 + HB2 HIS 42 OK 100 100 - 100 - 3.0=100 HA ARG 27 - HB2 HIS 42 OK 10 92 - 11 - 2226/1.8=4, ~1780=1, ~1772=1 HA ASP 43 - HB2 HIS 42 lone 3 65 - 4 - 4546/3.9=2 HA ASN 63 - HB2 HIS 42 lone 2 97 - 2 - HA ASP 82 - HB2 HIS 42 lone 2 92 - 2 - HA GLU 33 - HB2 HIS 42 lone 2 100 - 2 - HA ASN 24 - HB2 HIS 42 lone 2 100 - 2 - HA THR 38 - HB2 HIS 42 lone 1 83 - 1 - HA PHE 57 - HB2 HIS 42 lone 1 83 - 1 - HA LEU 12 - HB2 HIS 42 lone 1 71 - 1 - HA LYS 56 - HB2 HIS 42 lone 1 60 - 1 - Peak 2223 from cnoeabs.peaks (3.11, 3.11, 29.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 42 + HB2 HIS 42 OK 100 100 - 100 Peak 2224 from cnoeabs.peaks (3.20, 3.11, 29.88 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HB3 HIS 42 + HB2 HIS 42 OK 100 100 - 100 - 1.8=100 HD2 ARG 27 - HB2 HIS 42 lone 6 87 - 7 - 2220/3.0=2 HD3 ARG 28 - HB2 HIS 42 lone 2 99 - 2 - HB2 PHE 80 - HB2 HIS 42 lone 0 73 - 0 - Peak 2225 from cnoeabs.peaks (7.09, 3.11, 29.88 ppm; 4.39 A): 1 out of 3 assignments used, quality = 1.00: * HD2 HIS 42 + HB2 HIS 42 OK 100 100 - 100 - 3.9=100 H MET 21 - HB2 HIS 42 lone 1 63 - 2 - HD22 ASN 18 - HB2 HIS 42 lone 1 60 - 2 - Peak 2226 from cnoeabs.peaks (4.63, 3.20, 29.88 ppm; 3.43 A): 1 out of 11 assignments used, quality = 1.00: * HA HIS 42 + HB3 HIS 42 OK 100 100 - 100 - 3.0=100 HA ARG 27 - HB3 HIS 42 OK 17 92 - 18 - 2222/1.8=3, 3.6/628=2...(8) HA ASP 43 - HB3 HIS 42 lone 3 65 - 5 - 4546/3.9=3 HA ASN 63 - HB3 HIS 42 lone 3 97 - 3 - HA ASP 82 - HB3 HIS 42 lone 2 92 - 2 - HA GLU 33 - HB3 HIS 42 lone 2 100 - 2 - HA ASN 24 - HB3 HIS 42 lone 2 100 - 2 - HA THR 38 - HB3 HIS 42 lone 1 83 - 2 - HA LEU 12 - HB3 HIS 42 lone 1 71 - 2 - HA PHE 57 - HB3 HIS 42 lone 1 83 - 1 - HA LYS 56 - HB3 HIS 42 lone 1 60 - 1 - Peak 2227 from cnoeabs.peaks (3.11, 3.20, 29.88 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 42 + HB3 HIS 42 OK 100 100 - 100 - 1.8=100 HE2 LYS 78 - HB3 HIS 42 lone 2 89 - 2 - HE3 LYS 78 - HB3 HIS 42 lone 2 87 - 2 - Peak 2228 from cnoeabs.peaks (3.20, 3.20, 29.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 42 + HB3 HIS 42 OK 100 100 - 100 Peak 2229 from cnoeabs.peaks (7.09, 3.20, 29.88 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * HD2 HIS 42 + HB3 HIS 42 OK 100 100 - 100 - 3.9=100 H MET 21 - HB3 HIS 42 lone 1 63 - 2 - HD22 ASN 18 - HB3 HIS 42 lone 1 60 - 2 - Peak 2230 from cnoeabs.peaks (4.63, 7.09, 119.57 ppm; 6.20 A): 1 out of 11 assignments used, quality = 1.00: * HA HIS 42 + HD2 HIS 42 OK 100 100 - 100 - 4.6=100 HA ASP 43 - HD2 HIS 42 OK 43 65 - 66 - 3.0/4628=45, 3.0/4629=34...(4) HA ARG 27 - HD2 HIS 42 OK 14 92 - 15 - 2226/3.9=6, 2222/3.9=4 HA ASN 63 - HD2 HIS 42 lone 5 97 - 5 - HA ASP 82 - HD2 HIS 42 lone 5 92 - 5 - HA ASN 24 - HD2 HIS 42 lone 5 100 - 5 - HA GLU 33 - HD2 HIS 42 lone 5 100 - 5 - HA THR 38 - HD2 HIS 42 lone 4 83 - 4 - HA PHE 57 - HD2 HIS 42 lone 3 83 - 4 - HA LEU 12 - HD2 HIS 42 lone 3 71 - 4 - HA LYS 56 - HD2 HIS 42 lone 2 60 - 4 - Peak 2231 from cnoeabs.peaks (3.11, 7.09, 119.57 ppm; 4.51 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 42 + HD2 HIS 42 OK 100 100 - 100 - 3.9=100 HE2 LYS 78 - HD2 HIS 42 lone 3 89 - 3 - HE3 LYS 78 - HD2 HIS 42 lone 2 87 - 3 - Peak 2232 from cnoeabs.peaks (3.20, 7.09, 119.57 ppm; 4.90 A): 1 out of 4 assignments used, quality = 1.00: * HB3 HIS 42 + HD2 HIS 42 OK 100 100 - 100 - 3.9=100 HD2 ARG 27 - HD2 HIS 42 poor 9 87 - 11 - 2220/4.6=5, 2224/3.9=3 HD3 ARG 28 - HD2 HIS 42 lone 4 99 - 4 - 2220/4.6=1 HB2 PHE 80 - HD2 HIS 42 lone 2 73 - 2 - Peak 2233 from cnoeabs.peaks (7.09, 7.09, 119.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 42 + HD2 HIS 42 OK 100 100 - 100 Peak 2234 from cnoeabs.peaks (7.99, 4.61, 53.08 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 43 + HA ASP 43 OK 100 100 - 100 - 3.0=100 H LYS 68 - HA ASP 43 OK 28 99 - 28 - 189/3.6=9, ~3023=7...(4) Peak 2235 from cnoeabs.peaks (4.61, 4.61, 53.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 43 + HA ASP 43 OK 100 100 - 100 Peak 2236 from cnoeabs.peaks (2.58, 4.61, 53.08 ppm; 3.27 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASP 43 + HA ASP 43 OK 100 100 - 100 - 3.0=100 HB2 PHE 46 - HA ASP 43 OK 19 99 - 19 - 2244/3.0=3, 191/3.6=2...(8) HB3 ASP 82 - HA ASP 43 OK 10 92 - 11 - 3507=2, 1.8/3503=2, 2244/3.0=1 HB3 PHE 46 - HA ASP 43 poor 10 60 - 16 - 2.4/4630=2, ~697=2...(9) HB3 ASP 88 - HA ASP 43 lone 4 99 - 4 - Peak 2237 from cnoeabs.peaks (2.44, 4.61, 53.08 ppm; 3.31 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 43 + HA ASP 43 OK 100 100 - 100 - 3.0=100 HG3 MET 21 - HA ASP 43 lone 5 83 - 6 - 192/3.6=3, 698/3.0=1 HG3 GLU 25 - HA ASP 43 lone 3 99 - 3 - HG3 GLU 77 - HA ASP 43 lone 2 81 - 2 - Peak 2238 from cnoeabs.peaks (7.99, 2.58, 39.92 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 43 + HB2 ASP 43 OK 100 100 - 100 - 4.0=100 H LYS 68 - HB2 ASP 43 OK 23 99 - 23 - 189/4.2=8, 2242/1.8=7...(4) Peak 2239 from cnoeabs.peaks (4.61, 2.58, 39.92 ppm; 3.19 A): 1 out of 11 assignments used, quality = 1.00: * HA ASP 43 + HB2 ASP 43 OK 100 100 - 100 - 3.0=100 HA ASP 82 - HB2 ASP 43 lone 10 96 - 10 - 3501=2, 2243/1.8=2, 3.0/906=1 HA ASN 63 - HB2 ASP 43 lone 6 89 - 7 - 2243/1.8=1, 4.4/3946=1 HA HIS 42 - HB2 ASP 43 lone 6 65 - 8 - 4.6/4629=5, 2243/1.8=2 HA LEU 12 - HB2 ASP 43 lone 4 100 - 4 - 190/4.2=1, 2243/1.8=1 HA ARG 27 - HB2 ASP 43 lone 3 96 - 3 - HA LYS 31 - HB2 ASP 43 lone 3 99 - 3 - 190/4.2=1 HA ASN 24 - HB2 ASP 43 lone 2 78 - 3 - HA THR 38 - HB2 ASP 43 lone 2 99 - 2 - HA GLU 33 - HB2 ASP 43 lone 1 65 - 2 - HA HIS 10 - HB2 ASP 43 lone 1 76 - 1 - Peak 2240 from cnoeabs.peaks (2.58, 2.58, 39.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 43 + HB2 ASP 43 OK 100 100 - 100 Peak 2241 from cnoeabs.peaks (2.44, 2.58, 39.92 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 43 + HB2 ASP 43 OK 100 100 - 100 - 1.8=100 HG3 MET 21 - HB2 ASP 43 lone 3 83 - 3 - 192/4.2=1 HG3 GLU 25 - HB2 ASP 43 lone 2 99 - 1 - HG3 GLU 77 - HB2 ASP 43 lone 1 81 - 1 - Peak 2242 from cnoeabs.peaks (7.99, 2.44, 39.92 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 43 + HB3 ASP 43 OK 100 100 - 100 - 4.0=100 H LYS 68 - HB3 ASP 43 OK 22 99 - 22 - 189/4.2=8, 2238/1.8=8 Peak 2243 from cnoeabs.peaks (4.61, 2.44, 39.92 ppm; 3.24 A): 1 out of 11 assignments used, quality = 1.00: * HA ASP 43 + HB3 ASP 43 OK 100 100 - 100 - 3.0=100 HA HIS 42 - HB3 ASP 43 poor 8 65 - 12 - 4.6/4628=9, 2239/1.8=1 HA ASP 82 - HB3 ASP 43 lone 8 96 - 8 - 2239/1.8=3, 3.0/2244=1 HA ASN 63 - HB3 ASP 43 lone 6 89 - 6 - 2239/1.8=2, 4.4/3947=1 HA LEU 12 - HB3 ASP 43 lone 4 100 - 4 - 190/4.2=1, 2239/1.8=1 HA ARG 27 - HB3 ASP 43 lone 4 96 - 4 - HA LYS 31 - HB3 ASP 43 lone 3 99 - 3 - 190/4.2=1 HA ASN 24 - HB3 ASP 43 lone 3 78 - 4 - HA THR 38 - HB3 ASP 43 lone 2 99 - 2 - HA GLU 33 - HB3 ASP 43 lone 1 65 - 2 - HA HIS 10 - HB3 ASP 43 lone 1 76 - 1 - Peak 2244 from cnoeabs.peaks (2.58, 2.44, 39.92 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASP 43 + HB3 ASP 43 OK 100 100 - 100 - 1.8=100 HB2 PHE 46 - HB3 ASP 43 OK 10 99 - 11 - 2236/3.0=2, 2371/1.8=1...(4) HB3 PHE 46 - HB3 ASP 43 lone 5 60 - 9 - 2375/1.8=1, ~2385=1 HB3 ASP 82 - HB3 ASP 43 lone 4 92 - 4 - HB3 ASP 88 - HB3 ASP 43 lone 1 99 - 1 - Peak 2245 from cnoeabs.peaks (2.44, 2.44, 39.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 43 + HB3 ASP 43 OK 100 100 - 100 Peak 2246 from cnoeabs.peaks (7.57, 4.34, 55.12 ppm; 3.82 A): 1 out of 10 assignments used, quality = 1.00: * H LYS 44 + HA LYS 44 OK 100 100 - 100 - 3.0=100 H SER 36 - HA LYS 44 OK 32 97 - 33 - 162=6, 2266/3.0=5...(11) HD21 ASN 63 - HA LYS 44 OK 19 96 - 20 - 2266/3.0=4, 5398/3.0=3...(7) H LYS 44 - HA MET 11 OK 13 69 - 19 - 700=4, 4.0/2267=2...(8) H VAL 20 - HA LYS 44 lone 6 78 - 8 - 2266/3.0=1, 2276/3.8=1 H LYS 17 - HA LYS 44 lone 5 68 - 7 - H SER 36 - HA MET 11 lone 2 64 - 3 - HD21 ASN 63 - HA MET 11 lone 1 62 - 2 - H VAL 20 - HA MET 11 lone 1 47 - 2 - H LYS 17 - HA MET 11 lone 1 40 - 2 - Peak 2247 from cnoeabs.peaks (4.34, 4.34, 55.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 44 + HA LYS 44 OK 100 100 - 100 HA MET 11 + HA MET 11 OK 52 52 - 100 Peak 2248 from cnoeabs.peaks (1.81, 4.34, 55.12 ppm; 3.63 A): 1 out of 28 assignments used, quality = 1.00: * HB2 LYS 44 + HA LYS 44 OK 100 100 - 100 - 3.0=100 HB3 GLU 33 - HA LYS 44 OK 22 100 - 22 - 2268/3.0=3, 701/3.0=3...(8) HG3 GLU 51 - HA LYS 44 OK 19 99 - 19 - 2268/3.0=3, 2278/3.8=2...(9) HG2 GLU 51 - HA LYS 44 OK 19 99 - 19 - 2268/3.0=3, 2278/3.8=2...(9) HB2 LYS 31 - HA LYS 44 OK 16 63 - 26 - 3.0/2252=3, 3.0/2253=3...(12) HB2 LYS 65 - HA LYS 44 OK 15 65 - 23 - 3.0/4795=5, ~4793=3...(7) HB2 GLU 37 - HA LYS 44 OK 14 100 - 14 - 4.4/4784=5, 701/3.0=1 HB2 LYS 44 - HA MET 11 OK 13 69 - 19 - 1.8/2267=3, 2257=2...(9) HB2 MET 48 - HA LYS 44 OK 10 81 - 13 - ~4905=2, 701/3.0=1...(4) HB VAL 66 - HA LYS 44 poor 7 63 - 12 - ~5466=2, 2.1/1210=1, 2268/3.0=1 HB2 LYS 91 - HA LYS 44 lone 7 78 - 8 - 2268/3.0=1 HG LEU 76 - HA LYS 44 lone 7 99 - 7 - HG3 GLU 37 - HA LYS 44 lone 4 65 - 6 - HB2 LYS 65 - HA MET 11 lone 3 38 - 8 - 2917/3.6=3, 3.0/4795=2 HB2 GLU 22 - HA LYS 44 lone 2 63 - 3 - HB2 ARG 28 - HA LYS 44 lone 2 63 - 3 - 4.0/4804=1 HB2 GLU 37 - HA MET 11 lone 2 69 - 2 - 4.4/4784=1 HB3 GLU 33 - HA MET 11 lone 1 69 - 2 - HB2 ARG 28 - HA MET 11 lone 1 36 - 3 - HB2 MET 48 - HA MET 11 lone 1 49 - 2 - HB2 LYS 31 - HA MET 11 lone 1 36 - 2 - HG3 GLU 51 - HA MET 11 lone 1 67 - 1 - HG2 GLU 51 - HA MET 11 lone 1 67 - 1 - HG LEU 76 - HA MET 11 lone 1 67 - 1 - HB VAL 66 - HA MET 11 lone 1 36 - 1 - HB2 LYS 91 - HA MET 11 lone 0 47 - 1 - HG3 GLU 37 - HA MET 11 lone 0 38 - 1 - HB2 GLU 22 - HA MET 11 lone 0 36 - 1 - Peak 2249 from cnoeabs.peaks (1.54, 4.34, 55.12 ppm; 3.67 A): 2 out of 20 assignments used, quality = 1.00: * HB3 LYS 44 + HA LYS 44 OK 100 100 - 100 - 3.0=100 HD2 LYS 56 + HA LYS 44 OK 50 98 - 52 - 2259/3.0=5, 702/3.0=5...(26) HD3 LYS 64 - HA LYS 44 OK 27 89 - 31 - 2879/3.8=4, 2259/3.0=3...(15) HB3 LYS 26 - HA LYS 44 OK 22 76 - 29 - 1.8/2253=3, 2.9/2251=3...(15) HG LEU 34 - HA LYS 44 OK 18 68 - 27 - 3.0/2252=4, ~4684=3...(10) HG3 ARG 27 - HA LYS 44 OK 15 76 - 19 - 1.8/2252=3, 702/3.0=2...(8) HB3 LYS 44 - HA MET 11 OK 14 69 - 20 - 2267=4, 1.8/2257=2...(9) HG LEU 30 - HA MET 11 poor 10 69 - 14 - 1897/3.0=4, ~1904=2...(6) HG LEU 30 - HA LYS 44 lone 6 100 - 6 - QB ALA 71 - HA LYS 44 lone 5 81 - 6 - HB3 LEU 87 - HA LYS 44 lone 4 98 - 4 - QB ALA 71 - HA MET 11 lone 2 49 - 4 - HD2 LYS 56 - HA MET 11 lone 2 65 - 3 - HD3 LYS 64 - HA MET 11 lone 1 55 - 3 - HG3 ARG 27 - HA MET 11 lone 1 45 - 3 - HB2 LEU 85 - HA LYS 44 lone 1 63 - 2 - HB3 LEU 87 - HA MET 11 lone 1 65 - 1 - HB3 LYS 26 - HA MET 11 lone 1 45 - 2 - HG LEU 34 - HA MET 11 lone 1 40 - 1 - HB2 LEU 85 - HA MET 11 lone 0 36 - 1 - Peak 2250 from cnoeabs.peaks (1.37, 4.34, 55.12 ppm; 3.68 A): 2 out of 24 assignments used, quality = 0.99: * HG2 LYS 44 + HA LYS 44 OK 98 100 - 98 - 3.8=93, 3.0/2297=12...(19) HB3 LYS 56 + HA LYS 44 OK 50 99 - 51 - 2270/3.0=6, 2.9/2253=5...(25) HD3 LYS 56 - HA LYS 44 OK 33 76 - 44 - 1.8/2249=7, 3.0/2253=5...(21) HB2 LYS 64 - HA LYS 44 OK 31 99 - 32 - 1.8/2252=4, 2270/3.0=4...(17) HB3 LEU 12 - HA MET 11 OK 21 67 - 31 - 4.0/7=15, 3.1/4265=5...(7) HB3 LEU 12 - HA LYS 44 OK 20 99 - 20 - 4.0/7=2, 3.1/4265=2...(9) HG2 LYS 68 - HA LYS 44 OK 20 100 - 20 - 703/3.0=3, 3056/4.8=2...(9) HG2 LYS 44 - HA MET 11 OK 12 69 - 18 - 2.9/2267=2, 1.8/2251=2...(10) QB ALA 67 - HA LYS 44 lone 10 100 - 10 - 703/3.0=2, 2270/3.0=1 HG3 LYS 91 - HA LYS 44 lone 8 85 - 9 - HG2 LYS 91 - HA LYS 44 lone 8 85 - 9 - QB ALA 69 - HA LYS 44 lone 7 92 - 8 - HB2 LYS 64 - HA MET 11 poor 7 66 - 11 - 4023/3.6=5, 1162/4.9=2 HG2 LYS 68 - HA MET 11 lone 5 69 - 8 - 524/3.6=2, 1162/4.9=2 QB ALA 67 - HA MET 11 lone 5 69 - 7 - 524/3.6=2, 5506/5.3=1 QB ALA 89 - HA LYS 44 lone 5 93 - 5 - 3.6/4804=2 QB ALA 69 - HA MET 11 lone 4 58 - 7 - 524/3.6=1, 1162/4.9=1 HB3 LYS 56 - HA MET 11 lone 4 66 - 5 - 524/3.6=1 QB ALA 89 - HA MET 11 lone 3 60 - 5 - HD3 LYS 56 - HA MET 11 lone 2 45 - 4 - QB ALA 86 - HA LYS 44 lone 1 60 - 1 - HG3 LYS 91 - HA MET 11 lone 1 52 - 1 - HG2 LYS 91 - HA MET 11 lone 1 52 - 1 - QB ALA 86 - HA MET 11 lone 0 34 - 1 - Peak 2251 from cnoeabs.peaks (1.18, 4.34, 55.12 ppm; 4.02 A): 2 out of 8 assignments used, quality = 1.00: * HG3 LYS 44 + HA LYS 44 OK 100 100 - 100 - 3.8=100 HG2 ARG 45 + HA LYS 44 OK 62 100 - 62 - 2271/3.0=10, 2281/3.8=9...(20) HG3 LYS 26 - HA LYS 44 OK 22 63 - 35 - 2271/3.0=4, 2281/3.8=4...(15) HG3 LYS 44 - HA MET 11 OK 13 69 - 18 - 2.9/2267=3, 2287=3...(9) HG2 LYS 14 - HA LYS 44 OK 11 73 - 15 - 2271/3.0=2, 2287=2...(7) HG2 ARG 45 - HA MET 11 lone 2 68 - 3 - HG2 LYS 14 - HA MET 11 lone 1 43 - 3 - 4.9/21=1 HG3 LYS 26 - HA MET 11 lone 1 36 - 3 - Peak 2252 from cnoeabs.peaks (1.42, 4.34, 55.12 ppm; 3.51 A): 5 out of 14 assignments used, quality = 0.94: * HD2 LYS 44 + HA LYS 44 OK 78 100 - 78 - 4.8=39, 2272/3.0=11...(19) HB3 LEU 34 + HA LYS 44 OK 29 100 - 29 - 705/3.0=4, 2272/3.0=3...(14) HG2 LYS 31 + HA LYS 44 OK 27 95 - 29 - 2272/3.0=4, 1.8/2253=4...(12) HD3 LYS 56 + HA LYS 44 OK 27 63 - 43 - 1.8/2249=6, 2272/3.0=4...(21) HB3 LYS 64 + HA LYS 44 OK 24 83 - 30 - 2272/3.0=3, 2282/3.8=3...(15) HG2 ARG 27 - HA LYS 44 OK 18 100 - 18 - 2272/3.0=2, 2282/3.8=2...(7) HG2 LYS 65 - HA LYS 44 OK 13 71 - 18 - 3.7/4795=4, 1.8/2253=2...(6) HD2 LYS 44 - HA MET 11 poor 10 69 - 14 - 2297=3, 3.7/2267=2...(8) HG2 LYS 65 - HA MET 11 lone 3 42 - 8 - 2937/3.6=4, 3.7/4795=2 HB3 LYS 64 - HA MET 11 lone 3 50 - 6 - 4024/3.6=3 HG2 ARG 27 - HA MET 11 lone 2 69 - 3 - HG2 LYS 31 - HA MET 11 lone 2 61 - 3 - HB3 LEU 34 - HA MET 11 lone 1 69 - 2 - HD3 LYS 56 - HA MET 11 lone 1 36 - 2 - Peak 2253 from cnoeabs.peaks (1.29, 4.34, 55.12 ppm; 3.69 A): 4 out of 18 assignments used, quality = 0.96: * HD3 LYS 44 + HA LYS 44 OK 83 100 - 83 - 4.8=46, 1.8/2297=16...(19) HG3 LYS 56 + HA LYS 44 OK 46 97 - 48 - 2273/3.0=5, 3.0/2249=5...(24) HG3 LYS 31 + HA LYS 44 OK 30 98 - 31 - 1.8/2252=4, 2273/3.0=3...(14) HG3 ARG 45 + HA LYS 44 OK 30 65 - 46 - 1.8/2251=9, 2.9/6021=6...(17) HB2 LYS 26 - HA LYS 44 OK 24 87 - 28 - 2273/3.0=3, 1.8/2249=3...(14) HB3 LYS 68 - HA LYS 44 OK 20 100 - 20 - 706/3.0=3, 2283/3.8=3...(9) HG3 LYS 65 - HA LYS 44 OK 13 65 - 20 - 3.7/4795=4, 1.8/2252=2...(6) HD3 LYS 44 - HA MET 11 OK 11 69 - 15 - 1.8/2297=3, 2307=2...(8) QB ALA 60 - HA LYS 44 lone 8 85 - 9 - 5364=3 HG3 LYS 17 - HA LYS 44 lone 6 83 - 7 - HB3 LYS 68 - HA MET 11 lone 4 69 - 5 - HG3 LYS 65 - HA MET 11 lone 3 38 - 8 - 2947/3.6=2, 3.7/4795=2 HG3 LYS 56 - HA MET 11 lone 3 63 - 5 - 4245/5.3=1 QB ALA 60 - HA MET 11 lone 2 52 - 4 - 5368/3.0=1, 5368/3.0=1 HG3 LYS 31 - HA MET 11 lone 2 65 - 3 - HB2 LYS 26 - HA MET 11 lone 1 54 - 2 - HG3 LYS 17 - HA MET 11 lone 1 50 - 1 - HG3 ARG 45 - HA MET 11 lone 1 38 - 2 - Peak 2255 from cnoeabs.peaks (2.71, 4.34, 55.12 ppm; 5.36 A): 2 out of 8 assignments used, quality = 0.98: * HE3 LYS 44 + HA LYS 44 OK 96 100 - 96 - 6.3=62, 2275/3.0=22...(17) HB3 ASN 90 + HA LYS 44 OK 45 100 - 45 - 2275/3.0=9, 2285/3.8=8...(9) HE3 LYS 64 - HA LYS 44 OK 31 60 - 52 - 2275/3.0=8, 2285/3.8=7...(16) HE3 LYS 44 - HA MET 11 OK 18 69 - 25 - 2327=4, 1.8/2317=4...(9) HB2 ASP 82 - HA LYS 44 poor 7 65 - 11 - ~191=2, 2275/3.0=1, 2285/3.8=1 HB3 ASN 90 - HA MET 11 lone 3 69 - 4 - HB2 ASP 82 - HA MET 11 lone 2 38 - 6 - HE3 LYS 64 - HA MET 11 lone 2 34 - 6 - Peak 2256 from cnoeabs.peaks (7.57, 1.81, 32.30 ppm; 4.03 A): 1 out of 15 assignments used, quality = 1.00: * H LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 4.0=100 H SER 36 - HB2 LYS 44 OK 31 97 - 32 - 2266/1.8=8, 2246/3.0=6...(10) HD21 ASN 63 - HB2 LYS 44 OK 26 96 - 28 - 1.7/5400=6, 2266/1.8=6...(8) HD21 ASN 63 - HB VAL 66 OK 26 33 - 79 - 5399/2.1=31, ~5401=25...(9) H LYS 44 - HB3 GLU 33 OK 15 75 - 20 - 701=4, 3.0/2248=3...(8) H SER 36 - HB VAL 66 poor 7 35 - 21 - 165/2.1=6, 4750/2.1=5...(7) H VAL 20 - HB2 LYS 44 lone 7 78 - 9 - 2266/1.8=2, 2276/2.9=2...(4) H SER 36 - HB3 GLU 33 lone 5 70 - 8 - 167/4655=2, 3.6/2257=1 HD21 ASN 63 - HB3 GLU 33 lone 5 67 - 8 - 1.7/5400=2, 5398=1, 459/3.0=1 H LYS 17 - HB2 LYS 44 lone 5 68 - 7 - 2276/2.9=1, 2266/1.8=1 H LYS 44 - HB VAL 66 poor 4 38 - 10 - 5477/4.0=1, 701=1 H VAL 20 - HB3 GLU 33 lone 2 51 - 4 - H LYS 17 - HB3 GLU 33 lone 1 44 - 3 - 4.7/3913=1 H LYS 17 - HB VAL 66 lone 1 21 - 5 - 4316/2.1=2 H VAL 20 - HB VAL 66 lone 1 25 - 4 - 3.5/4143=1 Peak 2257 from cnoeabs.peaks (4.34, 1.81, 32.30 ppm; 4.50 A): 2 out of 15 assignments used, quality = 1.00: * HA LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 3.0=100 HA ARG 45 + HB2 LYS 44 OK 49 89 - 55 - 2267/1.8=9, 3.7/2261=8...(16) HA ILE 35 - HB2 LYS 44 OK 32 81 - 41 - 3922/4.0=7, 2267/1.8=5...(14) HA THR 13 - HB2 LYS 44 OK 31 100 - 31 - 2267/1.8=5, 2277/2.9=4...(11) HA LYS 44 - HB3 GLU 33 OK 24 75 - 33 - 2248=4, 3.0/2268=4...(17) HA MET 11 - HB2 LYS 44 OK 24 85 - 28 - 2267/1.8=4, 2277/2.9=3...(13) HA ILE 35 - HB3 GLU 33 OK 19 53 - 36 - 4.1/4655=9, ~4654=9...(7) HA THR 13 - HB VAL 66 OK 14 38 - 38 - 1204/2.1=9, ~1208=6...(10) HA THR 13 - HB3 GLU 33 lone 7 74 - 9 - ~4652=5 HA LYS 44 - HB VAL 66 poor 7 38 - 17 - ~5466=3, 1210/2.1=2...(7) HA ILE 35 - HB VAL 66 poor 5 26 - 21 - 2114/2.1=5, ~2121=3...(7) HA ARG 45 - HB3 GLU 33 lone 2 60 - 4 - HA MET 11 - HB3 GLU 33 lone 2 57 - 3 - HA MET 11 - HB VAL 66 lone 1 27 - 2 - HA ARG 45 - HB VAL 66 lone 1 29 - 2 - Peak 2258 from cnoeabs.peaks (1.81, 1.81, 32.30 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 44 + HB2 LYS 44 OK 100 100 - 100 HB3 GLU 33 + HB3 GLU 33 OK 75 75 - 100 HB VAL 66 - HB VAL 66 OK 19 19 - 100 Peak 2259 from cnoeabs.peaks (1.54, 1.81, 32.30 ppm; 3.11 A): 2 out of 30 assignments used, quality = 1.00: * HB3 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 1.8=100 HD2 LYS 56 + HB2 LYS 44 OK 49 98 - 50 - 2279/2.9=4, 2249/3.0=4...(28) HD3 LYS 64 - HB2 LYS 44 OK 29 89 - 33 - 2879/2.9=4, 2299/3.7=2...(20) HB3 LYS 26 - HB2 LYS 44 OK 21 76 - 28 - 2279/2.9=2, 2.9/2261=2...(14) HB3 LYS 44 - HB3 GLU 33 OK 16 75 - 21 - 2268=4, 2.9/2261=2...(9) HG3 ARG 27 - HB2 LYS 44 OK 12 76 - 16 - ~2272=2, 1.8/2262=1...(6) HG LEU 34 - HB2 LYS 44 OK 12 68 - 17 - 4694/4.0=2, 2092/3.7=2...(7) HD2 LYS 56 - HB3 GLU 33 OK 11 71 - 16 - 6178/4.2=1, 3.0/5216=1 HG LEU 34 - HB3 GLU 33 poor 8 44 - 18 - 5.1/151=3, ~6035=2...(10) HG LEU 30 - HB2 LYS 44 lone 5 100 - 5 - HB3 LYS 44 - HB VAL 66 poor 5 38 - 13 - 5466/2.1=3, 2268=2 QB ALA 71 - HB2 LYS 44 lone 4 81 - 5 - HD2 LYS 56 - HB VAL 66 poor 4 35 - 11 - 5466/2.1=3, ~2673=1 HG3 ARG 27 - HB VAL 66 poor 4 24 - 17 - 5466/2.1=3, 1797/3.0=2...(9) HG3 ARG 27 - HB3 GLU 33 lone 4 50 - 8 - HD3 LYS 64 - HB3 GLU 33 lone 4 60 - 6 - QB ALA 71 - HB3 GLU 33 lone 4 53 - 7 - 5625/4.1=3 HB3 LEU 87 - HB2 LYS 44 lone 3 98 - 3 - HG LEU 34 - HB VAL 66 poor 2 21 - 11 - 5466/2.1=3, ~3015=1...(5) HB3 LYS 26 - HB3 GLU 33 lone 2 50 - 3 - HD3 LYS 64 - HB VAL 66 lone 2 29 - 5 - 5466/2.1=2, ~5460=1 HG LEU 30 - HB3 GLU 33 lone 1 75 - 2 - HB2 LEU 85 - HB2 LYS 44 lone 1 63 - 2 - HB3 LEU 87 - HB VAL 66 lone 1 35 - 3 - HB3 LEU 87 - HB3 GLU 33 lone 1 71 - 1 - QB ALA 71 - HB VAL 66 lone 1 26 - 3 - HB3 LYS 26 - HB VAL 66 lone 1 24 - 3 - HG LEU 30 - HB VAL 66 lone 1 38 - 2 - HB2 LEU 85 - HB3 GLU 33 lone 1 40 - 1 - HB2 LEU 85 - HB VAL 66 lone 0 19 - 2 - Peak 2260 from cnoeabs.peaks (1.37, 1.81, 32.30 ppm; 3.69 A): 4 out of 36 assignments used, quality = 1.00: * HG2 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 2.9=100 HB3 LYS 56 + HB2 LYS 44 OK 66 99 - 67 - 2270/1.8=8, 2300/3.7=5...(37) HD3 LYS 56 + HB2 LYS 44 OK 46 76 - 61 - 1.8/2259=7, 2270/1.8=5...(34) HB2 LYS 64 + HB2 LYS 44 OK 45 99 - 46 - 2270/1.8=5, 2300/3.7=4...(26) HG2 LYS 68 - HB3 GLU 33 OK 29 75 - 39 - ~4654=5, 5551/1.8=4...(17) HG2 LYS 68 - HB2 LYS 44 OK 28 100 - 28 - 3056/3.7=3, 2270/1.8=3...(13) QB ALA 67 - HB VAL 66 OK 28 38 - 74 - 5507/2.1=18, ~4042=15...(14) HG2 LYS 44 - HB3 GLU 33 OK 24 75 - 32 - 1.8/2261=3, 2278=3...(15) HB3 LYS 56 - HB3 GLU 33 OK 20 72 - 28 - 3993/4.2=4, 5213/1.8=2...(11) QB ALA 69 - HB VAL 66 OK 19 31 - 61 - 4184/3.0=24, 5583/2.1=18...(10) HB3 LEU 12 - HB2 LYS 44 OK 17 99 - 17 - 4261/3.0=2, 2270/1.8=2...(6) QB ALA 67 - HB2 LYS 44 OK 17 100 - 17 - 3.7/5534=3, 2270/1.8=2...(5) HG3 LYS 91 - HB2 LYS 44 OK 13 85 - 15 - 2270/1.8=1 HG2 LYS 91 - HB2 LYS 44 OK 13 85 - 15 - 2270/1.8=1 HB3 LEU 12 - HB3 GLU 33 OK 13 73 - 18 - ~4653=5, ~4658=3...(5) HD3 LYS 56 - HB3 GLU 33 OK 10 50 - 21 - 3997/4.2=2, 3.0/5216=2...(9) HB2 LYS 64 - HB3 GLU 33 poor 10 72 - 14 - 5430/1.8=2, ~4650=1, ~5431=1 QB ALA 69 - HB2 LYS 44 lone 9 92 - 10 - 2.9/5578=2, 2270/1.8=1 HB3 LYS 56 - HB VAL 66 poor 7 36 - 20 - 5465/2.1=3, 6099/2.1=2...(7) HG2 LYS 44 - HB VAL 66 poor 7 38 - 18 - 5465/2.1=3, ~5466=2...(6) HB2 LYS 64 - HB VAL 66 poor 7 36 - 19 - 5465/2.1=4, 828/4.5=3...(7) QB ALA 67 - HB3 GLU 33 lone 6 75 - 9 - 3.7/5534=2 HG2 LYS 68 - HB VAL 66 poor 6 38 - 16 - 4.9/5534=4, 828/4.5=3...(6) HD3 LYS 56 - HB VAL 66 poor 4 24 - 19 - ~5466=3, 2673/2.1=2...(7) HB3 LEU 12 - HB VAL 66 poor 4 37 - 12 - 4275/2.1=3, 5465/2.1=2...(5) QB ALA 89 - HB2 LYS 44 lone 4 93 - 4 - QB ALA 69 - HB3 GLU 33 lone 3 63 - 5 - HG2 LYS 91 - HB3 GLU 33 lone 2 57 - 3 - HG3 LYS 91 - HB3 GLU 33 lone 2 57 - 3 - QB ALA 86 - HB2 LYS 44 lone 1 60 - 1 - HG2 LYS 91 - HB VAL 66 lone 1 27 - 2 - HG3 LYS 91 - HB VAL 66 lone 1 27 - 2 - QB ALA 89 - HB3 GLU 33 lone 1 65 - 1 - QB ALA 89 - HB VAL 66 lone 1 32 - 2 - QB ALA 86 - HB VAL 66 lone 1 18 - 3 - QB ALA 86 - HB3 GLU 33 lone 0 38 - 1 - Peak 2261 from cnoeabs.peaks (1.18, 1.81, 32.30 ppm; 4.25 A): 2 out of 12 assignments used, quality = 1.00: * HG3 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 2.9=100 HG2 ARG 45 + HB2 LYS 44 OK 75 100 - 76 - 2271/1.8=14, 2281/2.9=12...(31) HG3 LYS 26 - HB2 LYS 44 OK 32 63 - 51 - 2271/1.8=6, 2281/2.9=5...(29) HG3 LYS 44 - HB3 GLU 33 OK 29 75 - 39 - 1.8/2278=4, 2.9/2268=3...(21) HG2 LYS 14 - HB2 LYS 44 OK 15 73 - 20 - 2271/1.8=3, 2281/2.9=2...(11) HG3 LYS 44 - HB VAL 66 poor 8 38 - 20 - ~5466=3, ~5465=2...(7) HG2 ARG 45 - HB3 GLU 33 lone 4 74 - 5 - HG3 LYS 26 - HB3 GLU 33 lone 3 40 - 8 - HG2 LYS 14 - HB3 GLU 33 lone 3 48 - 6 - ~4652=4 HG2 LYS 14 - HB VAL 66 poor 3 23 - 12 - ~3011=3, ~3001=2...(5) HG3 LYS 26 - HB VAL 66 lone 1 19 - 6 - HG2 ARG 45 - HB VAL 66 lone 1 37 - 2 - Peak 2262 from cnoeabs.peaks (1.42, 1.81, 32.30 ppm; 3.73 A): 1 out of 21 assignments used, quality = 1.00: * HD2 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 3.7=100 HD3 LYS 56 - HB2 LYS 44 OK 40 63 - 63 - 1.8/2259=7, 2272/1.8=6...(35) HG2 LYS 31 - HB2 LYS 44 OK 38 95 - 40 - 2272/1.8=5, 1953/3.7=5...(15) HB3 LYS 64 - HB2 LYS 44 OK 34 83 - 42 - 2272/1.8=5, 2282/2.9=5...(22) HB3 LEU 34 - HB3 GLU 33 OK 32 75 - 43 - 664/4.2=11, 6035/1.8=7...(10) HB3 LEU 34 - HB2 LYS 44 OK 30 100 - 30 - 2272/1.8=4, 2252/3.0=4...(10) HG2 ARG 27 - HB2 LYS 44 OK 24 100 - 24 - 2272/1.8=4, 2282/2.9=3...(10) HD2 LYS 44 - HB3 GLU 33 OK 23 75 - 31 - 4665/3.0=3, 4660/3.0=3...(15) HG2 LYS 31 - HB3 GLU 33 OK 21 66 - 33 - ~6034=7, 4665/3.0=4...(12) HG2 LYS 65 - HB2 LYS 44 OK 16 71 - 22 - 2272/1.8=2, 2252/3.0=2...(9) HG2 ARG 27 - HB3 GLU 33 OK 10 74 - 14 - 664/4.2=2, 4665/3.0=2...(5) HG2 ARG 27 - HB VAL 66 poor 10 38 - 25 - 1789/3.0=4, ~5466=4...(11) HD3 LYS 56 - HB3 GLU 33 poor 9 40 - 24 - 664/4.2=4, 3.0/5216=2...(10) HB3 LYS 64 - HB3 GLU 33 poor 8 55 - 14 - 664/4.2=2, 4650/3.0=1...(8) HB3 LEU 34 - HB VAL 66 poor 7 38 - 18 - 2087/2.1=3, ~5466=2...(9) HG2 LYS 65 - HB3 GLU 33 poor 5 46 - 10 - 4660/3.0=1, 4665/3.0=1 HD2 LYS 44 - HB VAL 66 poor 4 38 - 10 - ~5465=1 HB3 LYS 64 - HB VAL 66 poor 3 26 - 13 - ~5423=3, ~5465=2...(6) HD3 LYS 56 - HB VAL 66 poor 3 19 - 16 - ~5466=3, 2673/2.1=2...(5) HG2 LYS 65 - HB VAL 66 poor 3 22 - 12 - ~5464=4, 4034/4.0=3...(4) HG2 LYS 31 - HB VAL 66 lone 1 33 - 2 - Peak 2263 from cnoeabs.peaks (1.29, 1.81, 32.30 ppm; 3.99 A): 2 out of 27 assignments used, quality = 1.00: * HD3 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 3.7=100 HG3 LYS 56 + HB2 LYS 44 OK 67 97 - 70 - 2273/1.8=8, 2283/2.9=7...(35) HG3 LYS 31 - HB2 LYS 44 OK 43 98 - 44 - 1962/3.7=5, 2273/1.8=5...(16) HG3 ARG 45 - HB2 LYS 44 OK 41 65 - 62 - 1.8/2261=9, ~2271=9...(25) HB2 LYS 26 - HB2 LYS 44 OK 37 87 - 42 - 2273/1.8=4, 2283/2.9=4...(20) HB3 LYS 68 - HB3 GLU 33 OK 33 75 - 44 - 3051/3.0=5, 4664/3.0=5...(18) HB3 LYS 68 - HB2 LYS 44 OK 32 100 - 32 - 2283/2.9=4, 2273/1.8=3...(14) HG3 LYS 31 - HB3 GLU 33 OK 26 71 - 37 - 6034/3.0=11, ~4665=4...(14) HD3 LYS 44 - HB3 GLU 33 OK 25 75 - 34 - 4664/3.0=4, 2308=3...(14) HG3 LYS 56 - HB3 GLU 33 OK 20 69 - 29 - 1.8/5216=3, 4664/3.0=3...(13) HG3 LYS 65 - HB2 LYS 44 OK 15 65 - 23 - 2273/1.8=2, 1.8/2262=2...(9) QB ALA 60 - HB2 LYS 44 OK 11 85 - 13 - 5364/3.0=2, 2273/1.8=1...(5) HG3 LYS 17 - HB3 GLU 33 poor 8 55 - 15 - 4664/3.0=2, 4659/3.0=2...(7) HG3 LYS 17 - HB2 LYS 44 lone 7 83 - 8 - HG3 LYS 56 - HB VAL 66 poor 7 34 - 20 - ~5466=3, ~3000=2...(10) HB3 LYS 68 - HB VAL 66 poor 7 38 - 18 - 4.0/5534=7, 4.3/5578=5...(5) HG3 LYS 65 - HB3 GLU 33 poor 5 42 - 12 - 4664/3.0=1, ~4660=1, 4659/3.0=1 HB2 LYS 26 - HB3 GLU 33 lone 5 59 - 8 - 4646/4.1=2 HD3 LYS 44 - HB VAL 66 poor 5 38 - 12 - ~5465=1, 3.0/2278=1, 3.7/2268=1 HG3 LYS 65 - HB VAL 66 poor 3 20 - 15 - ~5464=4, 305/4.0=4...(5) QB ALA 60 - HB3 GLU 33 lone 2 57 - 4 - HG3 LYS 17 - HB VAL 66 lone 2 26 - 8 - ~4317=2, 305/4.0=1, ~6028=1 QB ALA 60 - HB VAL 66 lone 2 27 - 6 - 4.9/5164=3 HG3 ARG 45 - HB3 GLU 33 lone 2 42 - 4 - HB2 LYS 26 - HB VAL 66 lone 2 28 - 6 - HG3 LYS 31 - HB VAL 66 lone 1 35 - 2 - HG3 ARG 45 - HB VAL 66 lone 0 20 - 2 - Peak 2265 from cnoeabs.peaks (2.71, 1.81, 32.30 ppm; 5.48 A): 2 out of 12 assignments used, quality = 1.00: * HE3 LYS 44 + HB2 LYS 44 OK 100 100 - 100 - 4.8=100 HB3 ASN 90 + HB2 LYS 44 OK 50 100 - 50 - 2275/1.8=11, ~6081=10...(9) HE3 LYS 64 - HB2 LYS 44 OK 39 60 - 65 - 2275/1.8=9, 2285/2.9=9...(23) HE3 LYS 44 - HB3 GLU 33 OK 33 75 - 44 - 1.8/2318=5, 3.0/2298=5...(14) HB2 ASP 82 - HB3 GLU 33 poor 9 42 - 21 - ~2045=3, ~3501=2...(10) HB2 ASP 82 - HB2 LYS 44 lone 6 65 - 9 - 2275/1.8=1, 2255/3.0=1 HE3 LYS 64 - HB3 GLU 33 poor 5 38 - 12 - ~5439=2, ~5438=1, ~4650=1 HE3 LYS 44 - HB VAL 66 poor 5 38 - 12 - 3.5/2278=2, 4.8/2268=1...(4) HB3 ASN 90 - HB3 GLU 33 lone 4 75 - 5 - HE3 LYS 64 - HB VAL 66 poor 2 18 - 12 - ~5466=4, ~6091=2, 6091/2.1=1 HB3 ASN 90 - HB VAL 66 lone 1 38 - 3 - HB2 ASP 82 - HB VAL 66 lone 0 20 - 2 - Peak 2266 from cnoeabs.peaks (7.57, 1.54, 32.30 ppm; 3.73 A): 3 out of 5 assignments used, quality = 0.94: * H LYS 44 + HB3 LYS 44 OK 90 100 - 90 - 4.0=79, 701/1.8=19...(9) H SER 36 + HB3 LYS 44 OK 27 97 - 28 - 2246/3.0=5, 4752=5...(8) HD21 ASN 63 + HB3 LYS 44 OK 20 96 - 21 - ~5400=4, 2256/1.8=4...(8) H VAL 20 - HB3 LYS 44 lone 6 78 - 7 - 2276/2.9=1 H LYS 17 - HB3 LYS 44 lone 4 68 - 6 - 2276/2.9=1 Peak 2267 from cnoeabs.peaks (4.34, 1.54, 32.30 ppm; 3.80 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 3.0=100 HA ARG 45 - HB3 LYS 44 OK 37 89 - 42 - 3.7/2271=8, 2297/3.7=5...(14) HA ILE 35 - HB3 LYS 44 OK 23 81 - 29 - 3922/4.0=5, 3.6/2266=5...(13) HA THR 13 - HB3 LYS 44 OK 23 100 - 22 - 2277/2.9=3, 2257/1.8=3...(10) HA MET 11 - HB3 LYS 44 OK 17 85 - 20 - 2249=3, 2257/1.8=2...(11) Peak 2268 from cnoeabs.peaks (1.81, 1.54, 32.30 ppm; 2.92 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 1.8=100 HG3 GLU 51 - HB3 LYS 44 OK 19 99 - 19 - 1.8/5075=2, 5075=2...(6) HG2 GLU 51 - HB3 LYS 44 OK 19 99 - 19 - 1.8/5075=2, 5075=2...(6) HB3 GLU 33 - HB3 LYS 44 OK 18 100 - 18 - 2259=2, 2261/2.9=1...(7) HB2 LYS 31 - HB3 LYS 44 OK 13 63 - 21 - 3.0/2272=3, 3.0/2273=2...(7) HB2 LYS 65 - HB3 LYS 44 poor 9 65 - 13 - ~4795=1, 2248/3.0=1 HB2 MET 48 - HB3 LYS 44 poor 9 81 - 11 - HB2 GLU 37 - HB3 LYS 44 lone 8 100 - 8 - HB VAL 66 - HB3 LYS 44 poor 7 63 - 11 - 2.1/5466=2 HB2 LYS 91 - HB3 LYS 44 lone 6 78 - 8 - HG LEU 76 - HB3 LYS 44 lone 6 99 - 6 - HG3 GLU 37 - HB3 LYS 44 lone 4 65 - 5 - HB2 GLU 22 - HB3 LYS 44 lone 1 63 - 2 - HB2 ARG 28 - HB3 LYS 44 lone 1 63 - 1 - Peak 2269 from cnoeabs.peaks (1.54, 1.54, 32.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 44 + HB3 LYS 44 OK 100 100 - 100 Peak 2270 from cnoeabs.peaks (1.37, 1.54, 32.30 ppm; 3.28 A): 2 out of 12 assignments used, quality = 1.00: * HG2 LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 2.9=100 HB3 LYS 56 + HB3 LYS 44 OK 59 99 - 60 - 2635=7, 1.8/2625=5...(27) HD3 LYS 56 - HB3 LYS 44 OK 41 76 - 55 - 2675=4, 3.0/2273=4...(29) HB2 LYS 64 - HB3 LYS 44 OK 39 99 - 40 - 1.8/2272=4, 2834=3...(23) HG2 LYS 68 - HB3 LYS 44 OK 21 100 - 21 - 3056/3.7=3, 2.9/2273=2...(8) HB3 LEU 12 - HB3 LYS 44 OK 13 99 - 13 - 4261/3.0=1, ~4259=1, 703/4.0=1 QB ALA 67 - HB3 LYS 44 OK 12 100 - 12 - 703/4.0=1 HG2 LYS 91 - HB3 LYS 44 poor 9 85 - 11 - HG3 LYS 91 - HB3 LYS 44 poor 9 85 - 11 - QB ALA 69 - HB3 LYS 44 lone 8 92 - 8 - QB ALA 89 - HB3 LYS 44 lone 3 93 - 3 - QB ALA 86 - HB3 LYS 44 lone 1 60 - 1 - Peak 2271 from cnoeabs.peaks (1.18, 1.54, 32.30 ppm; 3.51 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 2.9=100 HG2 ARG 45 + HB3 LYS 44 OK 59 100 - 60 - 2281/2.9=9, 2261/1.8=7...(28) HG3 LYS 26 - HB3 LYS 44 OK 24 63 - 38 - 2281/2.9=4, 2301/3.7=3...(18) HG2 LYS 14 - HB3 LYS 44 OK 11 73 - 14 - 2281/2.9=2, 2261/1.8=1...(5) Peak 2272 from cnoeabs.peaks (1.42, 1.54, 32.30 ppm; 3.34 A): 3 out of 7 assignments used, quality = 0.96: * HD2 LYS 44 + HB3 LYS 44 OK 90 100 - 90 - 3.7=75, 2300/2.9=11...(16) HD3 LYS 56 + HB3 LYS 44 OK 35 63 - 57 - 3.0/2273=4, 3.4/2270=4...(30) HG2 LYS 31 + HB3 LYS 44 OK 32 95 - 34 - 1953/3.7=4, 2282/2.9=4...(16) HB3 LYS 64 - HB3 LYS 44 OK 30 83 - 36 - 1.8/2270=4, 2282/2.9=4...(20) HB3 LEU 34 - HB3 LYS 44 OK 24 100 - 24 - 2252/3.0=3, 2282/2.9=3...(9) HG2 ARG 27 - HB3 LYS 44 OK 20 100 - 20 - 2282/2.9=2, 2252/3.0=2...(8) HG2 LYS 65 - HB3 LYS 44 OK 12 71 - 17 - 2282/2.9=1, 2252/3.0=1...(6) Peak 2273 from cnoeabs.peaks (1.29, 1.54, 32.30 ppm; 3.67 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 3.7=100 HG3 LYS 56 + HB3 LYS 44 OK 62 97 - 65 - 2283/2.9=6, 2.9/2270=6...(35) HG3 LYS 31 - HB3 LYS 44 OK 38 98 - 39 - 1.8/2272=5, 1962/3.7=5...(16) HG3 ARG 45 - HB3 LYS 44 OK 37 65 - 57 - 1.8/2271=12, ~2261=6...(24) HB2 LYS 26 - HB3 LYS 44 OK 35 87 - 40 - 2.9/2271=4, 2283/2.9=3...(20) HB3 LYS 68 - HB3 LYS 44 OK 25 100 - 25 - 2283/2.9=3, 2.9/2270=2...(11) HG3 LYS 65 - HB3 LYS 44 OK 14 65 - 20 - 1.8/2272=2, 3.0/2268=1...(7) QB ALA 60 - HB3 LYS 44 poor 10 85 - 11 - 5364/3.0=2, 2.9/5356=1 HG3 LYS 17 - HB3 LYS 44 lone 6 83 - 8 - Peak 2274 from cnoeabs.peaks (2.64, 1.54, 32.30 ppm; 4.81 A): 1 out of 3 assignments used, quality = 1.00: * HE2 LYS 44 + HB3 LYS 44 OK 100 100 - 100 - 4.8=98, 1.8/2275=23...(18) HG2 MET 21 - HB3 LYS 44 OK 43 90 - 48 - 3.4/4444=17, 2284/2.9=9...(8) HB2 ASP 88 - HB3 LYS 44 lone 7 81 - 8 - 2284/2.9=2, 2304/3.7=2...(4) Peak 2275 from cnoeabs.peaks (2.71, 1.54, 32.30 ppm; 4.63 A): 1 out of 4 assignments used, quality = 0.98: * HE3 LYS 44 + HB3 LYS 44 OK 98 100 - 98 - 4.8=87, 1.8/2274=25...(17) HB3 ASN 90 - HB3 LYS 44 OK 39 100 - 39 - 3.0/6081=8, 2285/2.9=7...(8) HE3 LYS 64 - HB3 LYS 44 OK 35 60 - 58 - 2285/2.9=6, 2305/3.7=6...(25) HB2 ASP 82 - HB3 LYS 44 lone 5 65 - 7 - Peak 2276 from cnoeabs.peaks (7.57, 1.37, 23.90 ppm; 5.02 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 4.7=100 H SER 36 - HG2 LYS 44 OK 39 97 - 40 - 2266/2.9=8, 2296/3.0=8...(7) HD21 ASN 63 - HG2 LYS 44 OK 33 96 - 35 - 2266/2.9=6, 5398/2.9=6...(10) H VAL 20 - HG2 LYS 44 OK 14 78 - 17 - 2296/3.0=2, 2266/2.9=2...(8) H LYS 17 - HG2 LYS 44 OK 11 68 - 16 - 2296/3.0=2, 3.6/4304=1...(7) Peak 2277 from cnoeabs.peaks (4.34, 1.37, 23.90 ppm; 4.96 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 3.8=100 HA ARG 45 + HG2 LYS 44 OK 57 89 - 64 - 3.7/2281=12, ~6015=10...(17) HA THR 13 - HG2 LYS 44 OK 38 100 - 38 - 4283=5, 2267/2.9=5...(11) HA ILE 35 - HG2 LYS 44 OK 33 81 - 41 - 3922/4.7=7, 3.6/2276=6...(11) HA MET 11 - HG2 LYS 44 OK 24 85 - 28 - 2267/2.9=4, 2297/3.0=3...(11) Peak 2278 from cnoeabs.peaks (1.81, 1.37, 23.90 ppm; 4.46 A): 3 out of 14 assignments used, quality = 1.00: * HB2 LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 2.9=100 HG3 GLU 51 + HG2 LYS 44 OK 46 99 - 47 - 5075/2.9=4, 5081/3.0=3...(21) HG2 GLU 51 + HG2 LYS 44 OK 46 99 - 47 - 5075/2.9=4, 5081/3.0=3...(21) HB3 GLU 33 - HG2 LYS 44 OK 42 100 - 43 - 2261/1.8=4, 2268/2.9=4...(22) HB2 LYS 31 - HG2 LYS 44 OK 34 63 - 55 - 3.0/2282=6, 3.0/2283=5...(27) HB2 LYS 65 - HG2 LYS 44 OK 27 65 - 41 - ~6166=5, 3.8/292=3...(17) HB2 MET 48 - HG2 LYS 44 OK 26 81 - 32 - 1.8/4897=3, 3.0/4847=2...(15) HB2 GLU 37 - HG2 LYS 44 OK 20 100 - 20 - 2298/3.0=2, 2248/3.8=2...(9) HB VAL 66 - HG2 LYS 44 OK 16 63 - 26 - ~5466=3, 2.1/5465=3...(8) HB2 LYS 91 - HG2 LYS 44 OK 16 78 - 20 - 3712=2, 1.8/3721=2...(7) HG LEU 76 - HG2 LYS 44 OK 14 99 - 14 - 2268/2.9=1 HG3 GLU 37 - HG2 LYS 44 OK 11 65 - 16 - ~4779=2, 4851=1 HB2 GLU 22 - HG2 LYS 44 lone 4 63 - 6 - HB2 ARG 28 - HG2 LYS 44 lone 2 63 - 3 - Peak 2279 from cnoeabs.peaks (1.54, 1.37, 23.90 ppm; 3.97 A): 3 out of 10 assignments used, quality = 1.00: * HB3 LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 2.9=100 HD2 LYS 56 + HG2 LYS 44 OK 77 98 - 79 - 3.0/2283=7, 2299/3.0=6...(45) HD3 LYS 64 + HG2 LYS 44 OK 56 89 - 64 - 2879=8, 1.8/2869=7...(32) HB3 LYS 26 - HG2 LYS 44 OK 38 76 - 50 - 2.9/2281=5, 1.8/2283=5...(28) HG LEU 34 - HG2 LYS 44 OK 23 68 - 34 - 3.0/2282=4, 2092/3.0=3...(15) HG3 ARG 27 - HG2 LYS 44 OK 23 76 - 30 - 1.8/2282=4, 1794/3.0=3...(17) QB ALA 71 - HG2 LYS 44 OK 10 81 - 12 - 2.9/5642=2 HG LEU 30 - HG2 LYS 44 lone 9 100 - 9 - HB3 LEU 87 - HG2 LYS 44 lone 7 98 - 7 - HB2 LEU 85 - HG2 LYS 44 lone 2 63 - 3 - Peak 2280 from cnoeabs.peaks (1.37, 1.37, 23.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 44 + HG2 LYS 44 OK 100 100 - 100 Peak 2281 from cnoeabs.peaks (1.18, 1.37, 23.90 ppm; 3.12 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 1.8=100 HG2 ARG 45 + HG2 LYS 44 OK 54 100 - 54 - 2271/2.9=7, 2301/3.0=7...(21) HG3 LYS 26 - HG2 LYS 44 OK 24 63 - 38 - 2301/3.0=3, 2290=3...(16) HG2 LYS 14 - HG2 LYS 44 poor 10 73 - 13 - 2301/3.0=1, 2271/2.9=1, 2290=1 Peak 2282 from cnoeabs.peaks (1.42, 1.37, 23.90 ppm; 3.05 A): 1 out of 7 assignments used, quality = 1.00: * HD2 LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 3.0=100 HB3 LYS 64 - HG2 LYS 44 OK 34 83 - 41 - 2839=5, 3.8/2879=3...(23) HG2 LYS 31 - HG2 LYS 44 OK 34 95 - 36 - 1953/3.0=4, 1.8/2283=4...(16) HD3 LYS 56 - HG2 LYS 44 OK 33 63 - 53 - 1.8/2279=5, 3.0/2283=4...(27) HB3 LEU 34 - HG2 LYS 44 OK 25 100 - 25 - 2292/1.8=2, 2312/3.0=2...(10) HG2 ARG 27 - HG2 LYS 44 OK 20 100 - 20 - 2292/1.8=2, 2272/2.9=2...(9) HG2 LYS 65 - HG2 LYS 44 OK 12 71 - 17 - 1.8/2283=1, 2292/1.8=1...(4) Peak 2283 from cnoeabs.peaks (1.29, 1.37, 23.90 ppm; 3.10 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 3.0=100 HG3 LYS 56 + HG2 LYS 44 OK 56 97 - 58 - 1.8/2642=5, 2652=5...(35) HG3 LYS 31 - HG2 LYS 44 OK 35 98 - 36 - 1.8/2282=5, 1962/3.0=4...(17) HG3 ARG 45 - HG2 LYS 44 OK 32 65 - 49 - 1.8/2281=10, 2346/1.8=4...(22) HB3 LYS 68 - HG2 LYS 44 OK 30 100 - 30 - 3047=4, 1.8/3037=2...(14) HB2 LYS 26 - HG2 LYS 44 OK 30 87 - 34 - 2.9/2281=3, 1.8/2279=2...(15) HG3 LYS 65 - HG2 LYS 44 OK 12 65 - 19 - 1.8/2282=2, 2652=1 QB ALA 60 - HG2 LYS 44 poor 9 85 - 10 - 2.1/6046=2, 5364/3.8=1 HG3 LYS 17 - HG2 LYS 44 lone 6 83 - 7 - Peak 2284 from cnoeabs.peaks (2.64, 1.37, 23.90 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * HE2 LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 3.5=100 HG2 MET 21 - HG2 LYS 44 OK 40 90 - 44 - 2274/2.9=9, 2304/3.0=9...(8) HB2 ASP 88 - HG2 LYS 44 lone 8 81 - 10 - 2304/3.0=2, 2274/2.9=2...(4) Peak 2285 from cnoeabs.peaks (2.71, 1.37, 23.90 ppm; 4.92 A): 1 out of 4 assignments used, quality = 1.00: * HE3 LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 3.5=100 HB3 ASN 90 - HG2 LYS 44 OK 45 100 - 45 - 2275/2.9=8, 2305/3.0=7...(10) HE3 LYS 64 - HG2 LYS 44 OK 41 60 - 69 - 3.0/2879=8, 2305/3.0=8...(30) HB2 ASP 82 - HG2 LYS 44 lone 6 65 - 8 - 2275/2.9=1 Peak 2286 from cnoeabs.peaks (7.57, 1.18, 23.90 ppm; 4.42 A): 1 out of 15 assignments used, quality = 0.95: * H LYS 44 + HG3 LYS 44 OK 95 100 - 95 - 4.7=82, 2266/2.9=23...(12) H SER 36 - HG3 LYS 44 OK 35 97 - 37 - 2266/2.9=7, 2276/1.8=6...(9) HD21 ASN 63 - HG3 LYS 44 OK 26 96 - 27 - 2276/1.8=5, 2266/2.9=5...(7) H LYS 44 - HG3 LYS 26 OK 20 61 - 33 - 704=5, 4.0/2271=4...(13) H LYS 44 - HG2 LYS 14 OK 11 72 - 15 - 704=3, 3.0/2251=2...(6) H VAL 20 - HG3 LYS 44 poor 8 78 - 11 - 2276/1.8=2, 2266/2.9=2...(6) H LYS 17 - HG3 LYS 44 lone 6 68 - 9 - 2276/1.8=2, 2296/3.0=1 H SER 36 - HG3 LYS 26 poor 6 56 - 11 - 4.0/4757=2, 5971/4840=1 H SER 36 - HG2 LYS 14 lone 6 67 - 8 - 4.0/4757=3, 4.0/4763=2 H VAL 20 - HG3 LYS 26 poor 5 41 - 13 - ~4388=3, 569/1.8=2...(6) HD21 ASN 63 - HG2 LYS 14 lone 4 65 - 7 - ~5402=2, 460/3.9=1, 460/3.9=1 HD21 ASN 63 - HG3 LYS 26 lone 2 54 - 3 - H LYS 17 - HG2 LYS 14 lone 1 42 - 3 - 4316/1.8=2 H LYS 17 - HG3 LYS 26 lone 1 34 - 3 - H VAL 20 - HG2 LYS 14 lone 1 49 - 2 - Peak 2287 from cnoeabs.peaks (4.34, 1.18, 23.90 ppm; 4.21 A): 2 out of 15 assignments used, quality = 1.00: * HA LYS 44 + HG3 LYS 44 OK 100 100 - 100 - 3.8=100 HA ARG 45 + HG3 LYS 44 OK 50 89 - 56 - 3.0/6015=11, 3.0/6017=9...(16) HA THR 13 - HG3 LYS 44 OK 28 100 - 28 - 2277/1.8=4, 2267/2.9=4...(9) HA ILE 35 - HG3 LYS 44 OK 26 81 - 32 - 3922/4.7=5, 2297/3.0=4...(10) HA LYS 44 - HG3 LYS 26 OK 23 61 - 38 - 2251=5, 3.0/2271=5...(18) HA MET 11 - HG3 LYS 44 OK 17 85 - 20 - 2251=3, 2267/2.9=3...(9) HA THR 13 - HG2 LYS 14 OK 16 72 - 21 - 4284/3.0=5, 4284/3.0=5...(5) HA LYS 44 - HG2 LYS 14 OK 12 72 - 16 - 2251=3, 3.0/2271=2...(7) HA THR 13 - HG3 LYS 26 OK 11 61 - 18 - 6151/3.0=3, 6152/1.8=3...(7) HA ILE 35 - HG3 LYS 26 lone 4 42 - 9 - HA ARG 45 - HG3 LYS 26 lone 3 48 - 6 - HA ILE 35 - HG2 LYS 14 lone 2 51 - 4 - HA ARG 45 - HG2 LYS 14 lone 2 58 - 3 - HA MET 11 - HG2 LYS 14 lone 2 55 - 3 - 21/4.9=1 HA MET 11 - HG3 LYS 26 lone 1 45 - 3 - Peak 2288 from cnoeabs.peaks (1.81, 1.18, 23.90 ppm; 3.78 A): 1 out of 42 assignments used, quality = 1.00: * HB2 LYS 44 + HG3 LYS 44 OK 100 100 - 100 - 2.9=100 HB3 GLU 33 - HG3 LYS 44 OK 33 100 - 33 - 2261=4, 2268/2.9=3...(15) HG3 GLU 51 - HG3 LYS 44 OK 32 99 - 32 - 2278/1.8=3, 5075/2.9=3...(18) HG2 GLU 51 - HG3 LYS 44 OK 32 99 - 32 - 2278/1.8=3, 5075/2.9=3...(18) HB2 LYS 44 - HG3 LYS 26 OK 27 61 - 45 - 1.8/2271=5, 2.9/2281=4...(22) HB2 LYS 31 - HG3 LYS 44 OK 27 63 - 43 - 3.0/2292=3, 1933/3.0=3...(23) HG LEU 76 - HG3 LYS 26 OK 19 59 - 33 - 2.1/6114=6, 3241/3.0=4...(15) HB2 LYS 65 - HG3 LYS 44 OK 19 65 - 29 - ~6166=3, 2278/1.8=2...(11) HB2 LYS 65 - HG2 LYS 14 OK 18 40 - 45 - 2923/3.0=3, 2923/3.0=3...(29) HB2 MET 48 - HG3 LYS 44 OK 15 81 - 18 - 2278/1.8=2, ~4897=2...(4) HB2 GLU 37 - HG3 LYS 44 OK 15 100 - 15 - 2278/1.8=1, 2298/3.0=1...(5) HB2 LYS 91 - HG2 LYS 14 OK 14 49 - 29 - 3708/4.0=3, ~1218=3...(10) HB2 LYS 44 - HG2 LYS 14 OK 13 72 - 17 - 1.8/2271=2, 2261=2...(7) HB2 MET 48 - HG3 LYS 26 OK 12 42 - 29 - 3.0/4861=2, ~1707=2...(18) HB2 LYS 91 - HG3 LYS 44 OK 12 78 - 15 - 3712/1.8=1, ~3722=1...(4) HG LEU 76 - HG2 LYS 14 OK 11 70 - 15 - ~6206=5, ~6207=5, 2.1/6114=3 HB VAL 66 - HG3 LYS 44 OK 10 63 - 17 - ~5466=2, ~5465=2...(5) HG LEU 76 - HG3 LYS 44 lone 9 99 - 9 - 2278/1.8=1 HG3 GLU 37 - HG3 LYS 44 poor 7 65 - 10 - HB2 GLU 22 - HG2 LYS 14 poor 6 38 - 17 - ~4460=4, ~4463=4...(5) HB2 GLU 22 - HG3 LYS 26 poor 6 31 - 20 - 4451/3.0=3, 4452/1.8=2...(12) HB VAL 66 - HG2 LYS 14 poor 6 38 - 14 - 6170/4.9=2, ~3011=2...(6) HB2 LYS 31 - HG3 LYS 26 poor 4 31 - 14 - 1933/2.9=2, 4603/3.0=1, ~1700=1 HB2 LYS 91 - HG3 LYS 26 poor 4 41 - 10 - 3.0/1217=1, ~1699=1...(7) HB2 GLU 37 - HG3 LYS 26 lone 4 61 - 6 - HB3 GLU 33 - HG3 LYS 26 lone 4 61 - 6 - HB3 GLU 33 - HG2 LYS 14 lone 4 72 - 5 - ~4652=3 HB2 MET 48 - HG2 LYS 14 lone 3 51 - 6 - HB2 GLU 37 - HG2 LYS 14 lone 2 72 - 3 - HB2 GLU 22 - HG3 LYS 44 lone 2 63 - 3 - HG3 GLU 37 - HG3 LYS 26 lone 2 33 - 6 - 1.8/4779=1 HG3 GLU 51 - HG3 LYS 26 lone 2 59 - 3 - HG2 GLU 51 - HG3 LYS 26 lone 2 59 - 3 - HB VAL 66 - HG3 LYS 26 lone 2 31 - 6 - HB2 LYS 65 - HG3 LYS 26 lone 2 33 - 5 - HB2 ARG 28 - HG3 LYS 44 lone 1 63 - 2 - HG3 GLU 51 - HG2 LYS 14 lone 1 71 - 1 - HG2 GLU 51 - HG2 LYS 14 lone 1 70 - 1 - HB2 LYS 31 - HG2 LYS 14 lone 1 38 - 3 - HB2 ARG 28 - HG2 LYS 14 lone 1 38 - 3 - HG3 GLU 37 - HG2 LYS 14 lone 1 40 - 2 - HB2 ARG 28 - HG3 LYS 26 lone 0 31 - 2 - Peak 2289 from cnoeabs.peaks (1.54, 1.18, 23.90 ppm; 3.28 A): 2 out of 30 assignments used, quality = 1.00: * HB3 LYS 44 + HG3 LYS 44 OK 100 100 - 100 - 2.9=100 HD2 LYS 56 + HG3 LYS 44 OK 60 98 - 61 - 2279/1.8=6, 2299/3.0=4...(37) HB3 LYS 26 - HG3 LYS 26 OK 39 39 - 100 - 2.9=100 HD3 LYS 64 - HG3 LYS 44 OK 39 89 - 44 - 2879/1.8=5, ~2869=3...(21) HB3 LYS 26 - HG3 LYS 44 OK 28 76 - 36 - 2279/1.8=3, 1690/3.0=3...(19) HG LEU 30 - HG3 LYS 26 OK 27 61 - 45 - 1902/1.8=5, 1900/3.0=3...(29) HB3 LYS 44 - HG3 LYS 26 OK 21 61 - 34 - 2271=5, 2.9/2281=3...(12) HG3 ARG 27 - HG3 LYS 44 OK 16 76 - 21 - 1.8/2292=2, 1794/3.0=2...(9) HG LEU 34 - HG3 LYS 44 OK 15 68 - 23 - 2092/3.0=2, 3.0/2292=2...(12) HB3 LEU 87 - HG3 LYS 26 OK 14 57 - 25 - 3639/3.0=1, 3638/3.0=1...(5) HB3 LYS 26 - HG2 LYS 14 OK 12 48 - 26 - ~1257=2, 1689/4.0=2...(12) HB3 LYS 44 - HG2 LYS 14 poor 10 72 - 13 - 2271=2, 2.9/2281=1...(5) HG3 ARG 27 - HG3 LYS 26 poor 10 39 - 25 - 4.9/101=3, ~4543=2...(15) HD2 LYS 56 - HG3 LYS 26 poor 7 57 - 13 - QB ALA 71 - HG3 LYS 26 poor 7 42 - 17 - 5660/3.0=2, ~3869=2...(9) HB2 LEU 85 - HG3 LYS 26 poor 7 31 - 23 - 3639/3.0=1, ~1705=1...(5) HG LEU 34 - HG3 LYS 26 poor 7 34 - 20 - ~4676=2, ~1703=2...(7) HG LEU 30 - HG3 LYS 44 lone 5 100 - 5 - QB ALA 71 - HG3 LYS 44 lone 4 81 - 5 - HB3 LEU 87 - HG3 LYS 44 lone 4 98 - 4 - HD3 LYS 64 - HG3 LYS 26 lone 3 48 - 6 - HB2 LEU 85 - HG3 LYS 44 lone 1 63 - 2 - HD2 LYS 56 - HG2 LYS 14 lone 1 68 - 2 - HG LEU 34 - HG2 LYS 14 lone 1 42 - 3 - HD3 LYS 64 - HG2 LYS 14 lone 1 58 - 2 - HB3 LEU 87 - HG2 LYS 14 lone 1 68 - 2 - HG3 ARG 27 - HG2 LYS 14 lone 1 48 - 2 - HG LEU 30 - HG2 LYS 14 lone 1 72 - 1 - HB2 LEU 85 - HG2 LYS 14 lone 1 38 - 2 - QB ALA 71 - HG2 LYS 14 lone 1 51 - 1 - Peak 2290 from cnoeabs.peaks (1.37, 1.18, 23.90 ppm; 2.75 A): 1 out of 36 assignments used, quality = 1.00: * HG2 LYS 44 + HG3 LYS 44 OK 100 100 - 100 - 1.8=100 HB3 LYS 56 - HG3 LYS 44 OK 45 99 - 46 - 2300/3.0=4, 2270/2.9=3...(19) HD3 LYS 56 - HG3 LYS 44 OK 32 76 - 42 - 1.8/2289=3, 2300/3.0=3...(18) HB2 LYS 64 - HG3 LYS 44 OK 28 99 - 29 - 2300/3.0=3, 1.8/2292=2...(15) HG2 LYS 44 - HG3 LYS 26 OK 19 61 - 31 - 2281=4, 3.0/2301=2...(13) HG2 LYS 68 - HG3 LYS 44 OK 17 100 - 17 - 3056/3.0=2, 2300/3.0=2...(5) HG2 LYS 68 - HG3 LYS 26 OK 13 61 - 22 - 3056/2.9=3, 5548/3.9=2...(8) HG2 LYS 44 - HG2 LYS 14 poor 8 72 - 10 - 2281=2 HB3 LEU 12 - HG3 LYS 44 lone 8 99 - 8 - QB ALA 67 - HG3 LYS 44 lone 8 100 - 8 - HG2 LYS 91 - HG3 LYS 44 lone 7 85 - 9 - HG3 LYS 91 - HG3 LYS 44 lone 7 85 - 9 - HB3 LEU 12 - HG2 LYS 14 lone 5 71 - 7 - 4275/1.8=2 HB3 LYS 56 - HG3 LYS 26 lone 5 58 - 8 - QB ALA 69 - HG3 LYS 44 lone 5 92 - 5 - HG2 LYS 91 - HG2 LYS 14 lone 5 55 - 8 - HG3 LYS 91 - HG2 LYS 14 lone 5 55 - 8 - HG2 LYS 68 - HG2 LYS 14 lone 4 72 - 5 - HB3 LEU 12 - HG3 LYS 26 lone 3 59 - 6 - 1178/1.8=1 QB ALA 67 - HG3 LYS 26 lone 3 61 - 5 - HD3 LYS 56 - HG3 LYS 26 lone 3 39 - 7 - HB2 LYS 64 - HG3 LYS 26 lone 2 58 - 4 - QB ALA 69 - HG3 LYS 26 lone 2 51 - 4 - QB ALA 67 - HG2 LYS 14 lone 2 72 - 3 - QB ALA 89 - HG3 LYS 44 lone 2 93 - 2 - HB2 LYS 64 - HG2 LYS 14 lone 1 69 - 1 - QB ALA 69 - HG2 LYS 14 lone 1 61 - 1 - HB3 LYS 56 - HG2 LYS 14 lone 1 69 - 1 - HG2 LYS 91 - HG3 LYS 26 lone 1 45 - 1 - HG3 LYS 91 - HG3 LYS 26 lone 1 45 - 1 - QB ALA 86 - HG3 LYS 26 lone 1 30 - 2 - QB ALA 86 - HG3 LYS 44 lone 0 60 - 1 - HD3 LYS 56 - HG2 LYS 14 lone 0 48 - 1 - QB ALA 89 - HG2 LYS 14 lone 0 63 - 0 - QB ALA 89 - HG3 LYS 26 lone 0 52 - 0 - QB ALA 86 - HG2 LYS 14 lone 0 36 - 1 - Peak 2291 from cnoeabs.peaks (1.18, 1.18, 23.90 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 44 + HG3 LYS 44 OK 100 100 - 100 HG2 LYS 14 + HG2 LYS 14 OK 46 46 - 100 HG3 LYS 26 - HG3 LYS 26 OK 31 31 - 100 Peak 2292 from cnoeabs.peaks (1.42, 1.18, 23.90 ppm; 3.18 A): 1 out of 21 assignments used, quality = 1.00: * HD2 LYS 44 + HG3 LYS 44 OK 100 100 - 100 - 3.0=100 HG2 LYS 31 - HG3 LYS 44 OK 36 95 - 38 - 2282/1.8=5, 1953/3.0=5...(16) HD3 LYS 56 - HG3 LYS 44 OK 35 63 - 57 - 2282/1.8=5, 1.8/2289=4...(34) HB3 LYS 64 - HG3 LYS 44 OK 31 83 - 37 - 2282/1.8=5, 1.8/2290=3...(21) HB3 LEU 34 - HG3 LYS 44 OK 26 100 - 26 - 2282/1.8=3, 2312/3.0=2...(11) HD2 LYS 44 - HG3 LYS 26 OK 24 61 - 40 - 2301=5, 3.0/2281=3...(15) HG2 ARG 27 - HG3 LYS 44 OK 22 100 - 22 - 2282/1.8=3, 2272/2.9=2...(10) HG2 LYS 65 - HG2 LYS 14 OK 14 44 - 33 - 2943/3.0=2, 2943/3.0=2...(17) HG2 ARG 27 - HG3 LYS 26 OK 13 61 - 22 - 4.9/101=3, ~4543=2...(12) HG2 LYS 65 - HG3 LYS 44 OK 13 71 - 18 - 2282/1.8=2, 2272/2.9=1 HD2 LYS 44 - HG2 LYS 14 poor 10 72 - 13 - 2301=2, 3.0/2281=1...(5) HB3 LEU 34 - HG3 LYS 26 poor 9 61 - 15 - ~4676=1, 2086/2.9=1 HG2 LYS 31 - HG3 LYS 26 poor 5 53 - 10 - 1953/2.9=1, ~1700=1 HD3 LYS 56 - HG3 LYS 26 poor 3 31 - 10 - HB3 LYS 64 - HG3 LYS 26 lone 2 44 - 5 - HB3 LEU 34 - HG2 LYS 14 lone 2 72 - 2 - HG2 ARG 27 - HG2 LYS 14 lone 1 72 - 2 - HG2 LYS 31 - HG2 LYS 14 lone 1 64 - 2 - HB3 LYS 64 - HG2 LYS 14 lone 1 53 - 2 - HG2 LYS 65 - HG3 LYS 26 lone 1 36 - 2 - HD3 LYS 56 - HG2 LYS 14 lone 1 38 - 1 - Peak 2293 from cnoeabs.peaks (1.29, 1.18, 23.90 ppm; 3.11 A): 3 out of 27 assignments used, quality = 1.00: * HD3 LYS 44 + HG3 LYS 44 OK 100 100 - 100 - 3.0=100 HG3 LYS 56 + HG3 LYS 44 OK 53 97 - 55 - 2283/1.8=6, 2303/3.0=4...(32) HB2 LYS 26 + HG3 LYS 26 OK 47 47 - 100 - 2.9=100 HG3 LYS 31 - HG3 LYS 44 OK 36 98 - 37 - 1962/3.0=5, 2283/1.8=4...(17) HG3 ARG 45 - HG3 LYS 44 OK 34 65 - 52 - 2.9/6015=7, 2346=6...(21) HB2 LYS 26 - HG3 LYS 44 OK 30 87 - 35 - 2283/1.8=3, 2303/3.0=2...(16) HB3 LYS 68 - HG3 LYS 44 OK 24 100 - 23 - 2283/1.8=3, 2303/3.0=2...(11) HD3 LYS 44 - HG3 LYS 26 OK 22 61 - 37 - 2311=4, 1.8/2301=4...(15) HB3 LYS 68 - HG3 LYS 26 OK 20 61 - 34 - 1700/1.8=3, 1690/2.9=3...(16) HB2 LYS 26 - HG2 LYS 14 OK 14 56 - 24 - 1679/4.0=2, 1683=2...(11) HG3 LYS 65 - HG2 LYS 14 OK 12 40 - 31 - ~1260=2, ~1259=2...(15) HG3 LYS 65 - HG3 LYS 44 OK 11 65 - 17 - 2283/1.8=1, 1.8/2292=1 HD3 LYS 44 - HG2 LYS 14 poor 9 72 - 12 - 1.8/2301=2, 2311=2...(4) QB ALA 60 - HG3 LYS 44 lone 8 85 - 9 - 5364/3.8=1 HG3 LYS 31 - HG3 LYS 26 poor 7 57 - 12 - 1690/2.9=1, 1700/1.8=1 HG3 LYS 56 - HG3 LYS 26 poor 6 55 - 10 - HB3 LYS 68 - HG2 LYS 14 lone 6 72 - 8 - QB ALA 60 - HG3 LYS 26 poor 5 45 - 10 - 5369/3.0=1, 1690/2.9=1 HG3 LYS 17 - HG3 LYS 44 lone 5 83 - 5 - HG3 ARG 45 - HG3 LYS 26 poor 4 33 - 12 - 1690/2.9=1, ~2337=1, 1700/1.8=1 HG3 LYS 31 - HG2 LYS 14 lone 1 68 - 2 - HG3 LYS 56 - HG2 LYS 14 lone 1 66 - 2 - HG3 LYS 17 - HG3 LYS 26 lone 1 44 - 2 - QB ALA 60 - HG2 LYS 14 lone 1 55 - 2 - HG3 ARG 45 - HG2 LYS 14 lone 1 40 - 2 - HG3 LYS 17 - HG2 LYS 14 lone 1 53 - 1 - HG3 LYS 65 - HG3 LYS 26 lone 1 33 - 2 - Peak 2294 from cnoeabs.peaks (2.64, 1.18, 23.90 ppm; 4.15 A): 1 out of 9 assignments used, quality = 1.00: * HE2 LYS 44 + HG3 LYS 44 OK 100 100 - 100 - 3.5=100 HG2 MET 21 - HG3 LYS 44 OK 33 90 - 37 - 2284/1.8=8, 2304/3.0=7...(7) HE2 LYS 44 - HG3 LYS 26 OK 27 61 - 45 - 2321=7, 3.0/2301=5...(21) HE2 LYS 44 - HG2 LYS 14 OK 11 72 - 15 - 2321=3, 3.0/2301=2...(7) HB2 ASP 88 - HG3 LYS 44 lone 6 81 - 7 - 2284/1.8=2, 2304/3.0=1...(4) HG2 MET 21 - HG3 LYS 26 poor 5 49 - 11 - 4438/1.8=2, ~4437=2...(4) HG2 MET 21 - HG2 LYS 14 lone 1 60 - 2 - HB2 ASP 88 - HG2 LYS 14 lone 1 51 - 1 - HB2 ASP 88 - HG3 LYS 26 lone 1 42 - 1 - Peak 2295 from cnoeabs.peaks (2.71, 1.18, 23.90 ppm; 4.41 A): 1 out of 12 assignments used, quality = 1.00: * HE3 LYS 44 + HG3 LYS 44 OK 100 100 - 100 - 3.5=100 HB3 ASN 90 - HG3 LYS 44 OK 37 100 - 37 - 2285/1.8=8, 2275/2.9=7...(8) HE3 LYS 64 - HG3 LYS 44 OK 36 60 - 60 - 2285/1.8=7, 2305/3.0=7...(28) HE3 LYS 44 - HG3 LYS 26 OK 29 61 - 48 - 1.8/2294=6, 3.0/2301=5...(22) HE3 LYS 44 - HG2 LYS 14 OK 12 72 - 16 - 1.8/2294=3, 3.0/2301=2...(7) HB2 ASP 82 - HG3 LYS 44 lone 5 65 - 7 - 2285/1.8=1 HE3 LYS 64 - HG3 LYS 26 lone 3 30 - 10 - HB3 ASN 90 - HG3 LYS 26 lone 2 61 - 3 - HB3 ASN 90 - HG2 LYS 14 lone 1 72 - 2 - HE3 LYS 64 - HG2 LYS 14 lone 1 36 - 3 - HB2 ASP 82 - HG3 LYS 26 lone 1 33 - 2 - HB2 ASP 82 - HG2 LYS 14 lone 1 40 - 2 - Peak 2296 from cnoeabs.peaks (7.57, 1.42, 27.58 ppm; 5.27 A): 2 out of 5 assignments used, quality = 0.99: * H LYS 44 + HD2 LYS 44 OK 97 100 - 97 - 5.8=76, 2266/3.7=26...(17) H SER 36 + HD2 LYS 44 OK 50 97 - 52 - 4.0/6166=11, 2266/3.7=8...(12) HD21 ASN 63 - HD2 LYS 44 OK 28 96 - 30 - 2276/3.0=6, 5398/3.7=6...(6) H VAL 20 - HD2 LYS 44 OK 11 78 - 14 - 2276/3.0=3, 2306/1.8=2...(6) H LYS 17 - HD2 LYS 44 poor 9 68 - 14 - 2276/3.0=2, 2306/1.8=2...(4) Peak 2297 from cnoeabs.peaks (4.34, 1.42, 27.58 ppm; 3.90 A): 2 out of 5 assignments used, quality = 0.93: * HA LYS 44 + HD2 LYS 44 OK 88 100 - 88 - 4.8=54, 3.0/2272=13...(20) HA ARG 45 + HD2 LYS 44 OK 40 89 - 45 - 3.7/2301=8, 2307/1.8=5...(14) HA ILE 35 - HD2 LYS 44 OK 24 81 - 29 - 3.0/157=5, 3.6/2296=4...(11) HA THR 13 - HD2 LYS 44 OK 21 100 - 21 - 2277/3.0=3, 2307/1.8=3...(9) HA MET 11 - HD2 LYS 44 OK 14 85 - 16 - 2267/3.7=2, 2307/1.8=2...(9) Peak 2298 from cnoeabs.peaks (1.81, 1.42, 27.58 ppm; 4.85 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LYS 44 + HD2 LYS 44 OK 100 100 - 100 - 3.7=100 HB3 GLU 33 + HD2 LYS 44 OK 47 100 - 47 - 3.0/4665=6, 3.0/4660=6...(15) HB2 LYS 31 - HD2 LYS 44 OK 45 63 - 71 - 3.9/4802=14, 3.0/1962=7...(34) HG3 GLU 51 - HD2 LYS 44 OK 44 99 - 44 - 5075/3.7=4, 2308/1.8=4...(18) HG2 GLU 51 - HD2 LYS 44 OK 43 99 - 44 - 5075/3.7=4, 5081/1.8=4...(18) HB2 LYS 65 - HD2 LYS 44 OK 29 65 - 45 - 3.0/6166=9, ~4178=3...(20) HB2 GLU 37 - HD2 LYS 44 OK 27 100 - 27 - 4.4/4802=8, 2308/1.8=2...(11) HB2 MET 48 - HD2 LYS 44 OK 19 81 - 23 - 2278/3.0=2, ~4897=2...(11) HB2 LYS 91 - HD2 LYS 44 OK 17 78 - 21 - 3712/3.0=2, 2308/1.8=1...(10) HG LEU 76 - HD2 LYS 44 OK 12 99 - 12 - 2278/3.0=1, 2268/3.7=1 HG3 GLU 37 - HD2 LYS 44 OK 11 65 - 17 - ~4779=2, ~2308=1, 3935/4802=1 HB VAL 66 - HD2 LYS 44 OK 11 63 - 18 - ~5465=2, 2278/3.0=1...(5) HB2 ARG 28 - HD2 LYS 44 lone 4 63 - 6 - 4.0/110=3 HB2 GLU 22 - HD2 LYS 44 lone 3 63 - 5 - Peak 2299 from cnoeabs.peaks (1.54, 1.42, 27.58 ppm; 3.86 A): 3 out of 10 assignments used, quality = 1.00: * HB3 LYS 44 + HD2 LYS 44 OK 100 100 - 100 - 3.7=100 HD2 LYS 56 + HD2 LYS 44 OK 72 98 - 74 - 1.8/2300=6, 3.0/2303=6...(41) HD3 LYS 64 + HD2 LYS 44 OK 50 89 - 56 - 2879/3.0=5, 3.0/2305=5...(31) HB3 LYS 26 - HD2 LYS 44 OK 36 76 - 48 - 2.9/2301=5, 1.8/2303=4...(25) HG LEU 34 - HD2 LYS 44 OK 32 68 - 46 - 2.1/2099=6, 2092=5...(23) HG3 ARG 27 - HD2 LYS 44 OK 28 76 - 36 - 1794=4, 2.9/1770=3...(20) HG LEU 30 - HD2 LYS 44 lone 9 100 - 9 - 3894/4802=2 QB ALA 71 - HD2 LYS 44 lone 6 81 - 8 - HB3 LEU 87 - HD2 LYS 44 lone 5 98 - 5 - HB2 LEU 85 - HD2 LYS 44 lone 2 63 - 3 - Peak 2300 from cnoeabs.peaks (1.37, 1.42, 27.58 ppm; 2.72 A): 4 out of 12 assignments used, quality = 0.95: * HG2 LYS 44 + HD2 LYS 44 OK 84 100 - 84 - 3.0=78, 2.9/2272=6...(11) HB3 LYS 56 + HD2 LYS 44 OK 42 99 - 42 - 2310/1.8=4, 2.9/2303=3...(16) HD3 LYS 56 + HD2 LYS 44 OK 31 76 - 41 - 1.8/2299=4, 3.0/2303=3...(18) HB2 LYS 64 + HD2 LYS 44 OK 30 99 - 31 - 2830=3, 2310/1.8=3...(13) HG2 LYS 68 - HD2 LYS 44 OK 17 100 - 17 - 3056/1.8=3, 2.9/2303=2...(5) HB3 LEU 12 - HD2 LYS 44 lone 7 99 - 7 - QB ALA 67 - HD2 LYS 44 lone 6 100 - 6 - HG2 LYS 91 - HD2 LYS 44 lone 6 85 - 7 - HG3 LYS 91 - HD2 LYS 44 lone 6 85 - 7 - QB ALA 69 - HD2 LYS 44 lone 4 92 - 4 - QB ALA 89 - HD2 LYS 44 lone 2 93 - 2 - QB ALA 86 - HD2 LYS 44 lone 0 60 - 1 - Peak 2301 from cnoeabs.peaks (1.18, 1.42, 27.58 ppm; 3.45 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 44 + HD2 LYS 44 OK 100 100 - 100 - 3.0=100 HG2 ARG 45 + HD2 LYS 44 OK 59 100 - 60 - 2281/3.0=9, 2311/1.8=8...(29) HG3 LYS 26 - HD2 LYS 44 OK 27 63 - 44 - 2281/3.0=4, 2311/1.8=4...(20) HG2 LYS 14 - HD2 LYS 44 OK 11 73 - 14 - 2281/3.0=2, 2311/1.8=1...(6) Peak 2302 from cnoeabs.peaks (1.42, 1.42, 27.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 44 + HD2 LYS 44 OK 100 100 - 100 Peak 2303 from cnoeabs.peaks (1.29, 1.42, 27.58 ppm; 2.76 A): 1 out of 9 assignments used, quality = 1.00: * HD3 LYS 44 + HD2 LYS 44 OK 100 100 - 100 - 1.8=100 HG3 LYS 56 - HD2 LYS 44 OK 44 97 - 46 - 2.9/2300=4, 2283/3.0=3...(22) HG3 LYS 31 - HD2 LYS 44 OK 39 98 - 40 - 1962=7, 4.6/4802=3...(17) HG3 ARG 45 - HD2 LYS 44 OK 26 65 - 40 - 1.8/2301=7, 2312=3...(16) HB2 LYS 26 - HD2 LYS 44 OK 25 87 - 28 - 2.9/2301=2, ~1690=2...(11) HB3 LYS 68 - HD2 LYS 44 OK 19 100 - 19 - 2283/3.0=2, 2.9/2300=2...(5) HG3 LYS 65 - HD2 LYS 44 poor 10 65 - 15 - 3.7/6166=2 HG3 LYS 17 - HD2 LYS 44 lone 5 83 - 6 - QB ALA 60 - HD2 LYS 44 lone 5 85 - 6 - Peak 2304 from cnoeabs.peaks (2.64, 1.42, 27.58 ppm; 4.21 A): 1 out of 3 assignments used, quality = 1.00: * HE2 LYS 44 + HD2 LYS 44 OK 100 100 - 100 - 3.0=100 HG2 MET 21 - HD2 LYS 44 OK 35 90 - 39 - 2314/1.8=8, 2284/3.0=7...(10) HB2 ASP 88 - HD2 LYS 44 lone 6 81 - 7 - 2284/3.0=2, 2314/1.8=2...(4) Peak 2305 from cnoeabs.peaks (2.71, 1.42, 27.58 ppm; 3.89 A): 1 out of 4 assignments used, quality = 1.00: * HE3 LYS 44 + HD2 LYS 44 OK 100 100 - 100 - 3.0=100 HE3 LYS 64 - HD2 LYS 44 OK 31 60 - 51 - 2315/1.8=5, 2285/3.0=4...(25) HB3 ASN 90 - HD2 LYS 44 OK 28 100 - 28 - 2315/1.8=5, 2285/3.0=5...(9) HB2 ASP 82 - HD2 LYS 44 lone 4 65 - 5 - Peak 2306 from cnoeabs.peaks (7.57, 1.29, 27.58 ppm; 5.76 A): 1 out of 10 assignments used, quality = 1.00: * H LYS 44 + HD3 LYS 44 OK 100 100 - 100 - 5.8=99, 2266/3.7=28...(14) H SER 36 - HD3 LYS 44 OK 43 97 - 45 - 2296/1.8=12, 2266/3.7=8...(7) HD21 ASN 63 - HD3 LYS 44 OK 32 96 - 33 - 2276/3.0=7, 2296/1.8=7...(6) H LYS 44 - HG3 ARG 45 OK 31 47 - 66 - 704/1.8=15, ~2251=11...(17) H VAL 20 - HD3 LYS 44 OK 14 78 - 18 - 2276/3.0=3, 2296/1.8=3...(7) H LYS 17 - HD3 LYS 44 OK 11 68 - 16 - 2276/3.0=2, 2296/1.8=2...(7) H SER 36 - HG3 ARG 45 lone 4 44 - 10 - 162/3.7=2, 4752/2.9=1 HD21 ASN 63 - HG3 ARG 45 lone 2 42 - 4 - H VAL 20 - HG3 ARG 45 lone 1 31 - 5 - H LYS 17 - HG3 ARG 45 lone 1 26 - 4 - Peak 2307 from cnoeabs.peaks (4.34, 1.29, 27.58 ppm; 4.19 A): 2 out of 10 assignments used, quality = 0.96: * HA LYS 44 + HD3 LYS 44 OK 93 100 - 93 - 4.8=66, 2297/1.8=20...(19) HA ARG 45 + HD3 LYS 44 OK 43 89 - 48 - 2297/1.8=9, 3.7/2311=7...(14) HA ARG 45 - HG3 ARG 45 OK 37 37 - 100 - 3.7=100 HA LYS 44 - HG3 ARG 45 OK 26 47 - 54 - 2251/1.8=12, ~2271=7...(17) HA THR 13 - HD3 LYS 44 OK 25 100 - 25 - 2297/1.8=5, 2277/3.0=4...(9) HA ILE 35 - HD3 LYS 44 OK 24 81 - 29 - 2297/1.8=5, 3922/5.8=4...(10) HA MET 11 - HD3 LYS 44 OK 16 85 - 19 - 2297/1.8=3, 2267/3.7=3...(9) HA THR 13 - HG3 ARG 45 lone 4 47 - 8 - 6021/2.9=1, 2336/1.8=1 HA ILE 35 - HG3 ARG 45 poor 4 32 - 12 - 6021/2.9=2, 2336/1.8=2 HA MET 11 - HG3 ARG 45 lone 1 35 - 2 - Peak 2308 from cnoeabs.peaks (1.81, 1.29, 27.58 ppm; 4.50 A): 1 out of 28 assignments used, quality = 1.00: * HB2 LYS 44 + HD3 LYS 44 OK 100 100 - 100 - 3.7=100 HG3 GLU 51 - HD3 LYS 44 OK 44 99 - 45 - 5081=5, 3.0/5066=4...(20) HG2 GLU 51 - HD3 LYS 44 OK 44 99 - 45 - 5081=5, 3.0/5066=4...(20) HB2 LYS 31 - HD3 LYS 44 OK 41 63 - 65 - 3.9/4801=9, 3.0/1953=7...(30) HB3 GLU 33 - HD3 LYS 44 OK 40 100 - 40 - 3.0/4664=5, 2298/1.8=4...(15) HB2 LYS 44 - HG3 ARG 45 OK 33 47 - 71 - 2261/1.8=11, ~2271=11...(25) HB2 LYS 65 - HD3 LYS 44 OK 26 65 - 39 - ~6166=6, 3.0/4178=4...(17) HB2 GLU 37 - HD3 LYS 44 OK 21 100 - 21 - 4.4/4801=4, 2298/1.8=2...(9) HB2 MET 48 - HD3 LYS 44 OK 17 81 - 21 - 2278/3.0=2, ~4897=2...(6) HB2 LYS 91 - HD3 LYS 44 OK 15 78 - 19 - 3712/3.0=2, 2298/1.8=1...(8) HG LEU 76 - HD3 LYS 44 OK 11 99 - 11 - 2278/3.0=1, 2298/1.8=1 HB VAL 66 - HD3 LYS 44 poor 10 63 - 15 - ~5465=2, 2278/3.0=1...(4) HG3 GLU 37 - HD3 LYS 44 poor 9 65 - 14 - ~4779=2, ~2298=1 HB2 LYS 31 - HG3 ARG 45 poor 7 24 - 30 - 3.0/1953=2, 3.9/4801=2...(16) HB2 GLU 37 - HG3 ARG 45 poor 5 47 - 10 - 4.4/4782=3, 2174/2.9=1...(4) HG LEU 76 - HG3 ARG 45 lone 3 46 - 7 - HB2 GLU 22 - HD3 LYS 44 lone 3 63 - 5 - HB3 GLU 33 - HG3 ARG 45 lone 2 47 - 5 - HB2 ARG 28 - HD3 LYS 44 lone 2 63 - 3 - HG3 GLU 51 - HG3 ARG 45 lone 2 46 - 4 - HG2 GLU 51 - HG3 ARG 45 lone 2 46 - 4 - HB2 LYS 65 - HG3 ARG 45 lone 2 25 - 6 - HG3 GLU 37 - HG3 ARG 45 lone 1 25 - 6 - HB2 MET 48 - HG3 ARG 45 lone 1 32 - 4 - HB2 LYS 91 - HG3 ARG 45 lone 1 31 - 3 - HB2 GLU 22 - HG3 ARG 45 lone 1 24 - 3 - HB VAL 66 - HG3 ARG 45 lone 1 24 - 3 - HB2 ARG 28 - HG3 ARG 45 lone 0 24 - 1 - Peak 2309 from cnoeabs.peaks (1.54, 1.29, 27.58 ppm; 4.09 A): 3 out of 20 assignments used, quality = 1.00: * HB3 LYS 44 + HD3 LYS 44 OK 100 100 - 100 - 3.7=100 HD2 LYS 56 + HD3 LYS 44 OK 74 98 - 76 - 2299/1.8=9, 1.8/2674=8...(40) HD3 LYS 64 + HD3 LYS 44 OK 52 89 - 59 - 2299/1.8=6, 2879/3.0=6...(30) HB3 LYS 26 - HD3 LYS 44 OK 43 76 - 57 - 2299/1.8=4, 1690=4...(32) HB3 LYS 44 - HG3 ARG 45 OK 31 47 - 65 - 2271/1.8=14, ~2261=7...(25) HG LEU 34 - HD3 LYS 44 OK 29 68 - 43 - ~4669=5, 2092/1.8=4...(21) HG3 ARG 27 - HD3 LYS 44 OK 25 76 - 32 - 1794/1.8=4, 1.8/2312=3...(17) HD3 LYS 64 - HG3 ARG 45 OK 16 37 - 44 - ~2338=7, ~6016=5...(21) HG LEU 30 - HD3 LYS 44 lone 10 100 - 10 - 3894/4801=2, 2299/1.8=1 QB ALA 71 - HD3 LYS 44 poor 9 81 - 11 - 4196/3026=1 HB3 LYS 26 - HG3 ARG 45 poor 7 30 - 23 - ~2340=3, 1690=2...(10) HB3 LEU 87 - HD3 LYS 44 lone 6 98 - 6 - HD2 LYS 56 - HG3 ARG 45 lone 3 44 - 7 - HB2 LEU 85 - HD3 LYS 44 lone 2 63 - 3 - HG3 ARG 27 - HG3 ARG 45 lone 1 30 - 5 - HG LEU 30 - HG3 ARG 45 lone 1 47 - 3 - QB ALA 71 - HG3 ARG 45 lone 1 32 - 4 - HB3 LEU 87 - HG3 ARG 45 lone 1 44 - 2 - HG LEU 34 - HG3 ARG 45 lone 1 26 - 4 - HB2 LEU 85 - HG3 ARG 45 lone 1 24 - 3 - Peak 2310 from cnoeabs.peaks (1.37, 1.29, 27.58 ppm; 2.97 A): 2 out of 24 assignments used, quality = 1.00: * HG2 LYS 44 + HD3 LYS 44 OK 100 100 - 100 - 3.0=100 HB3 LYS 56 + HD3 LYS 44 OK 53 99 - 54 - 2300/1.8=7, 2634=5...(24) HD3 LYS 56 - HD3 LYS 44 OK 38 76 - 51 - 2300/1.8=5, 2674=4...(26) HB2 LYS 64 - HD3 LYS 44 OK 33 99 - 34 - 2300/1.8=5, 1.8/2312=3...(14) HG2 LYS 68 - HD3 LYS 44 OK 29 100 - 29 - 3056=4, 1.8/3066=3...(10) HG2 LYS 44 - HG3 ARG 45 OK 22 47 - 46 - 2281/1.8=9, 2283=5...(21) HB2 LYS 64 - HG3 ARG 45 OK 10 45 - 23 - ~2338=3, 2833/2.9=2...(8) QB ALA 67 - HD3 LYS 44 lone 9 100 - 9 - 3.7/832=2 HB3 LEU 12 - HD3 LYS 44 lone 9 99 - 9 - 2300/1.8=1, 4261/4.8=1 HG3 LYS 91 - HD3 LYS 44 lone 8 85 - 9 - HG2 LYS 91 - HD3 LYS 44 lone 8 85 - 9 - QB ALA 69 - HD3 LYS 44 lone 7 92 - 7 - 2.9/321=2, 4.4/3026=1 QB ALA 89 - HD3 LYS 44 lone 2 93 - 2 - HB3 LYS 56 - HG3 ARG 45 lone 2 45 - 4 - HG2 LYS 68 - HG3 ARG 45 lone 1 47 - 3 - QB ALA 67 - HG3 ARG 45 lone 1 47 - 3 - HB3 LEU 12 - HG3 ARG 45 lone 1 46 - 2 - HD3 LYS 56 - HG3 ARG 45 lone 1 30 - 3 - QB ALA 86 - HD3 LYS 44 lone 0 60 - 1 - QB ALA 69 - HG3 ARG 45 lone 1 39 - 1 - HG2 LYS 91 - HG3 ARG 45 lone 0 35 - 1 - HG3 LYS 91 - HG3 ARG 45 lone 0 35 - 1 - QB ALA 89 - HG3 ARG 45 lone 0 40 - 0 - QB ALA 86 - HG3 ARG 45 lone 0 22 - 0 - Peak 2311 from cnoeabs.peaks (1.18, 1.29, 27.58 ppm; 3.28 A): 3 out of 8 assignments used, quality = 1.00: * HG3 LYS 44 + HD3 LYS 44 OK 100 100 - 100 - 3.0=100 HG2 ARG 45 + HD3 LYS 44 OK 56 100 - 56 - 2301/1.8=10, 2281/3.0=8...(24) HG2 ARG 45 + HG3 ARG 45 OK 46 46 - 100 - 1.8=100 HG3 LYS 26 - HD3 LYS 44 OK 26 63 - 41 - 2301/1.8=5, 2281/3.0=3...(16) HG3 LYS 44 - HG3 ARG 45 OK 25 47 - 52 - 6015/2.9=7, ~2281=6...(20) HG2 LYS 14 - HD3 LYS 44 poor 10 73 - 13 - 2301/1.8=2, 2281/3.0=1...(5) HG3 LYS 26 - HG3 ARG 45 poor 4 24 - 15 - 2.9/1690=2, 1.8/1700=1...(5) HG2 LYS 14 - HG3 ARG 45 lone 1 29 - 2 - Peak 2312 from cnoeabs.peaks (1.42, 1.29, 27.58 ppm; 2.75 A): 1 out of 14 assignments used, quality = 1.00: * HD2 LYS 44 + HD3 LYS 44 OK 100 100 - 100 - 1.8=100 HG2 LYS 31 - HD3 LYS 44 OK 37 95 - 40 - 1953=7, 3.0/1933=3...(18) HD3 LYS 56 - HD3 LYS 44 OK 27 63 - 43 - 3.0/2644=3, 2674=3...(21) HB3 LEU 34 - HD3 LYS 44 OK 23 100 - 23 - 2282/3.0=2, ~2078=2...(11) HB3 LYS 64 - HD3 LYS 44 OK 23 83 - 27 - 1.8/2310=3, 2282/3.0=3...(11) HD2 LYS 44 - HG3 ARG 45 OK 18 47 - 39 - 2301/1.8=7, 2303=5...(16) HG2 ARG 27 - HD3 LYS 44 OK 18 100 - 18 - 2282/3.0=2, ~1794=1...(6) HG2 LYS 65 - HD3 LYS 44 OK 10 71 - 14 - 3.7/4178=1 HG2 LYS 31 - HG3 ARG 45 poor 6 41 - 14 - 1953=2, 3.0/1933=1 HB3 LYS 64 - HG3 ARG 45 poor 5 33 - 14 - 2844/2.9=1, ~2841=1, 6017/1.8=1 HG2 ARG 27 - HG3 ARG 45 lone 1 47 - 3 - HB3 LEU 34 - HG3 ARG 45 lone 1 47 - 2 - HD3 LYS 56 - HG3 ARG 45 lone 1 24 - 2 - HG2 LYS 65 - HG3 ARG 45 lone 0 27 - 1 - Peak 2313 from cnoeabs.peaks (1.29, 1.29, 27.58 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 44 + HD3 LYS 44 OK 100 100 - 100 HG3 ARG 45 - HG3 ARG 45 OK 25 25 - 100 Peak 2314 from cnoeabs.peaks (2.64, 1.29, 27.58 ppm; 3.93 A): 1 out of 6 assignments used, quality = 1.00: * HE2 LYS 44 + HD3 LYS 44 OK 100 100 - 100 - 3.0=100 HG2 MET 21 - HD3 LYS 44 OK 32 90 - 35 - 2304/1.8=8, 2284/3.0=6...(10) HE2 LYS 44 - HG3 ARG 45 OK 25 47 - 52 - 2321/1.8=10, ~2301=6...(16) HB2 ASP 88 - HD3 LYS 44 lone 6 81 - 7 - 2304/1.8=2, 2284/3.0=1 HG2 MET 21 - HG3 ARG 45 lone 1 38 - 2 - HB2 ASP 88 - HG3 ARG 45 lone 0 32 - 1 - Peak 2315 from cnoeabs.peaks (2.71, 1.29, 27.58 ppm; 4.15 A): 1 out of 8 assignments used, quality = 1.00: * HE3 LYS 44 + HD3 LYS 44 OK 100 100 - 100 - 3.0=100 HB3 ASN 90 - HD3 LYS 44 OK 33 100 - 33 - 2305/1.8=7, 2285/3.0=6...(9) HE3 LYS 64 - HD3 LYS 44 OK 32 60 - 54 - 2305/1.8=8, 2285/3.0=5...(27) HE3 LYS 44 - HG3 ARG 45 OK 26 47 - 55 - 2331/1.8=9, ~2321=8...(20) HE3 LYS 64 - HG3 ARG 45 poor 9 22 - 39 - ~2338=5, ~2337=5...(22) HB2 ASP 82 - HD3 LYS 44 lone 4 65 - 6 - HB3 ASN 90 - HG3 ARG 45 lone 1 47 - 3 - HB2 ASP 82 - HG3 ARG 45 lone 0 25 - 1 - Peak 2317 from cnoeabs.peaks (4.34, 2.64, 41.78 ppm; 5.43 A): 2 out of 5 assignments used, quality = 0.98: * HA LYS 44 + HE2 LYS 44 OK 96 100 - 96 - 6.3=65, 3.0/2274=26...(18) HA ARG 45 + HE2 LYS 44 OK 51 89 - 58 - 3.7/2321=12, 2297/3.0=10...(14) HA THR 13 - HE2 LYS 44 OK 30 100 - 30 - 2277/3.5=5, 2297/3.0=5...(8) HA ILE 35 - HE2 LYS 44 OK 28 81 - 35 - 2297/3.0=6, 3922/7.2=5...(10) HA MET 11 - HE2 LYS 44 OK 20 85 - 23 - 2255/1.8=4, 2297/3.0=3...(8) Peak 2318 from cnoeabs.peaks (1.81, 2.64, 41.78 ppm; 4.35 A): 1 out of 14 assignments used, quality = 0.94: * HB2 LYS 44 + HE2 LYS 44 OK 94 100 - 94 - 4.8=73, 1.8/2274=22...(19) HB3 GLU 33 - HE2 LYS 44 OK 29 100 - 29 - 2328/1.8=3, 2261/3.5=3...(12) HB2 LYS 31 - HE2 LYS 44 OK 28 63 - 45 - 3.0/2322=5, 3.0/2323=5...(18) HG3 GLU 51 - HE2 LYS 44 OK 27 99 - 27 - 2278/3.5=3, 5081/3.0=3...(12) HG2 GLU 51 - HE2 LYS 44 OK 27 99 - 27 - 2278/3.5=3, 5081/3.0=3...(12) HB2 LYS 65 - HE2 LYS 44 OK 19 65 - 29 - ~6166=5, 2328/1.8=2...(12) HB2 GLU 37 - HE2 LYS 44 OK 11 100 - 11 - 2298/3.0=2, 2308/3.0=1...(4) HB2 LYS 91 - HE2 LYS 44 poor 9 78 - 11 - 3712/3.5=1, 2328/1.8=1...(4) HB2 MET 48 - HE2 LYS 44 lone 8 81 - 10 - 2278/3.5=2, 2298/3.0=1...(5) HG LEU 76 - HE2 LYS 44 lone 7 99 - 7 - HG3 GLU 37 - HE2 LYS 44 lone 5 65 - 8 - HB VAL 66 - HE2 LYS 44 lone 5 63 - 8 - 2278/3.5=1 HB2 GLU 22 - HE2 LYS 44 lone 3 63 - 5 - 4.0/68=2 HB2 ARG 28 - HE2 LYS 44 lone 1 63 - 2 - Peak 2319 from cnoeabs.peaks (1.54, 2.64, 41.78 ppm; 4.44 A): 3 out of 10 assignments used, quality = 0.99: * HB3 LYS 44 + HE2 LYS 44 OK 95 100 - 95 - 4.8=77, 2275/1.8=20...(18) HD2 LYS 56 + HE2 LYS 44 OK 68 98 - 70 - 2299/3.0=8, 2279/3.5=7...(30) HD3 LYS 64 + HE2 LYS 44 OK 46 89 - 53 - 2879/3.5=6, 2299/3.0=5...(24) HB3 LYS 26 - HE2 LYS 44 OK 33 76 - 44 - 2.9/2294=5, 1.8/2323=5...(20) HG LEU 34 - HE2 LYS 44 OK 29 68 - 43 - ~4669=8, ~4671=5...(18) HG3 ARG 27 - HE2 LYS 44 OK 21 76 - 27 - 1.8/2322=4, 1794/3.0=3...(13) HG LEU 30 - HE2 LYS 44 lone 7 100 - 7 - HB3 LEU 87 - HE2 LYS 44 lone 6 98 - 6 - QB ALA 71 - HE2 LYS 44 lone 5 81 - 6 - HB2 LEU 85 - HE2 LYS 44 lone 2 63 - 3 - Peak 2320 from cnoeabs.peaks (1.37, 2.64, 41.78 ppm; 3.81 A): 2 out of 12 assignments used, quality = 1.00: * HG2 LYS 44 + HE2 LYS 44 OK 100 100 - 100 - 3.5=100 HB3 LYS 56 + HE2 LYS 44 OK 56 99 - 57 - 2300/3.0=7, 2634/3.0=6...(29) HD3 LYS 56 - HE2 LYS 44 OK 41 76 - 54 - 1.8/2319=6, 3.0/2323=5...(24) HB2 LYS 64 - HE2 LYS 44 OK 40 99 - 40 - 2300/3.0=5, 1.8/2322=4...(20) HG2 LYS 68 - HE2 LYS 44 OK 23 100 - 23 - 3056/3.0=4, 2300/3.0=3...(9) HB3 LEU 12 - HE2 LYS 44 lone 9 99 - 9 - 4261/6.3=2, 2300/3.0=1 HG2 LYS 91 - HE2 LYS 44 lone 8 85 - 9 - 2300/3.0=1 HG3 LYS 91 - HE2 LYS 44 lone 8 85 - 9 - 2300/3.0=1 QB ALA 67 - HE2 LYS 44 lone 7 100 - 7 - 2300/3.0=1, 2310/3.0=1 QB ALA 69 - HE2 LYS 44 lone 5 92 - 6 - QB ALA 89 - HE2 LYS 44 lone 3 93 - 3 - QB ALA 86 - HE2 LYS 44 lone 1 60 - 1 - Peak 2321 from cnoeabs.peaks (1.18, 2.64, 41.78 ppm; 4.17 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 44 + HE2 LYS 44 OK 100 100 - 100 - 3.5=100 HG2 ARG 45 + HE2 LYS 44 OK 60 100 - 60 - 2301/3.0=11, 2281/3.5=10...(18) HG3 LYS 26 - HE2 LYS 44 OK 28 63 - 45 - 2294=7, 2301/3.0=5...(21) HG2 LYS 14 - HE2 LYS 44 OK 11 73 - 15 - 2294=3, 2301/3.0=2...(7) Peak 2322 from cnoeabs.peaks (1.42, 2.64, 41.78 ppm; 3.88 A): 1 out of 7 assignments used, quality = 1.00: * HD2 LYS 44 + HE2 LYS 44 OK 100 100 - 100 - 3.0=100 HG2 LYS 31 - HE2 LYS 44 OK 42 95 - 45 - 1953/3.0=6, 1.8/2323=5...(23) HB3 LEU 34 - HE2 LYS 44 OK 37 100 - 37 - ~4669=4, 2332/1.8=4...(20) HD3 LYS 56 - HE2 LYS 44 OK 36 63 - 57 - 1.8/2319=7, 3.0/2323=5...(25) HB3 LYS 64 - HE2 LYS 44 OK 36 83 - 43 - 1.8/2320=5, 2282/3.5=4...(22) HG2 ARG 27 - HE2 LYS 44 OK 26 100 - 26 - 2332/1.8=3, 2312/3.0=3...(15) HG2 LYS 65 - HE2 LYS 44 OK 14 71 - 19 - 3.0/2318=2, 2282/3.5=2...(6) Peak 2323 from cnoeabs.peaks (1.29, 2.64, 41.78 ppm; 3.82 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 44 + HE2 LYS 44 OK 100 100 - 100 - 3.0=100 HG3 LYS 56 + HE2 LYS 44 OK 55 97 - 58 - 2303/3.0=6, 2283/3.5=6...(27) HG3 LYS 31 - HE2 LYS 44 OK 42 98 - 43 - 1962/3.0=6, 1.8/2322=5...(19) HG3 ARG 45 - HE2 LYS 44 OK 34 65 - 52 - 1.8/2321=10, 2314=7...(16) HB2 LYS 26 - HE2 LYS 44 OK 33 87 - 38 - 2.9/2294=4, 2303/3.0=3...(19) HB3 LYS 68 - HE2 LYS 44 OK 26 100 - 25 - 2283/3.5=3, 2303/3.0=3...(12) HG3 LYS 65 - HE2 LYS 44 OK 12 65 - 19 - 1.8/2322=2, 3.0/2318=2...(5) QB ALA 60 - HE2 LYS 44 lone 6 85 - 7 - HG3 LYS 17 - HE2 LYS 44 lone 6 83 - 7 - Peak 2324 from cnoeabs.peaks (2.64, 2.64, 41.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 44 + HE2 LYS 44 OK 100 100 - 100 Peak 2325 from cnoeabs.peaks (2.71, 2.64, 41.78 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HE3 LYS 44 + HE2 LYS 44 OK 100 100 - 100 - 1.8=100 HE3 LYS 64 - HE2 LYS 44 poor 10 60 - 16 - 2334=4, 2305/3.0=2...(6) HB3 ASN 90 - HE2 LYS 44 lone 9 100 - 9 - 2305/3.0=2, 2315/3.0=1...(5) HB2 ASP 82 - HE2 LYS 44 lone 1 65 - 1 - Peak 2327 from cnoeabs.peaks (4.34, 2.71, 41.78 ppm; 5.14 A): 2 out of 10 assignments used, quality = 0.97: * HA LYS 44 + HE3 LYS 44 OK 94 100 - 94 - 6.3=55, 3.0/2275=21...(17) HA ARG 45 + HE3 LYS 44 OK 46 89 - 52 - 2297/3.0=9, 3.7/2331=9...(13) HA LYS 44 - HE3 LYS 64 OK 30 60 - 50 - 3.0/2275=8, 3.8/2285=7...(16) HA THR 13 - HE3 LYS 44 OK 29 100 - 28 - 2317/1.8=5, 2277/3.5=5...(8) HA ILE 35 - HE3 LYS 44 OK 27 81 - 34 - 2297/3.0=6, 2317/1.8=5...(10) HA MET 11 - HE3 LYS 44 OK 21 85 - 24 - 2255=4, 2297/3.0=3...(9) HA ARG 45 - HE3 LYS 64 OK 17 47 - 37 - ~6016=5, 3.7/2331=4...(17) HA THR 13 - HE3 LYS 64 lone 6 60 - 9 - 4286/7.5=2, 4283/4.9=2, ~17=1 HA ILE 35 - HE3 LYS 64 lone 3 42 - 6 - ~158=1 HA MET 11 - HE3 LYS 64 lone 2 45 - 5 - Peak 2328 from cnoeabs.peaks (1.81, 2.71, 41.78 ppm; 4.19 A): 3 out of 28 assignments used, quality = 0.95: * HB2 LYS 44 + HE3 LYS 44 OK 91 100 - 91 - 4.8=65, 1.8/2275=18...(16) HB3 GLU 33 + HE3 LYS 44 OK 30 100 - 30 - 2318/1.8=4, 2265=3...(13) HG LEU 76 + HE3 LYS 64 OK 30 58 - 51 - 3242/3.8=7, ~2872=6...(20) HB2 LYS 44 - HE3 LYS 64 OK 29 60 - 49 - 1.8/2275=6, 3.7/2305=5...(21) HB2 LYS 31 - HE3 LYS 44 OK 27 63 - 43 - 1933/3.0=4, 1932/3.0=4...(18) HG3 GLU 51 - HE3 LYS 44 OK 26 99 - 27 - 2318/1.8=4, 2278/3.5=3...(11) HG2 GLU 51 - HE3 LYS 44 OK 26 99 - 27 - 2318/1.8=4, 2278/3.5=3...(11) HB2 LYS 65 - HE3 LYS 44 OK 17 65 - 26 - ~6166=4, 2318/1.8=3...(13) HB2 GLU 37 - HE3 LYS 44 OK 11 100 - 11 - 2298/3.0=2, 2318/1.8=1...(4) HB2 LYS 91 - HE3 LYS 44 OK 10 78 - 13 - 4.0/431=3, 3711/3.5=1...(4) HB2 MET 48 - HE3 LYS 44 poor 9 81 - 11 - 4.0/4883=2, 2278/3.5=2...(6) HB2 MET 48 - HE3 LYS 64 poor 9 42 - 22 - 4.0/4883=11, 4851/4.9=2...(5) HG LEU 76 - HE3 LYS 44 lone 7 99 - 7 - HG3 GLU 37 - HE3 LYS 44 lone 6 65 - 9 - HB VAL 66 - HE3 LYS 44 lone 5 63 - 7 - 2278/3.5=1 HB3 GLU 33 - HE3 LYS 64 lone 4 60 - 7 - HB2 LYS 65 - HE3 LYS 64 poor 4 32 - 11 - 2921/4.9=1, 2921/3.0=1...(4) HG3 GLU 51 - HE3 LYS 64 lone 3 58 - 5 - HG2 GLU 51 - HE3 LYS 64 lone 3 58 - 5 - HB2 GLU 37 - HE3 LYS 64 lone 3 60 - 4 - HB2 GLU 22 - HE3 LYS 64 lone 3 31 - 8 - ~5438=2, ~5439=2...(4) HB VAL 66 - HE3 LYS 64 lone 2 31 - 7 - ~5466=2, ~6091=1 HB2 GLU 22 - HE3 LYS 44 lone 2 63 - 3 - HB2 LYS 91 - HE3 LYS 64 lone 2 40 - 4 - HG3 GLU 37 - HE3 LYS 64 lone 1 32 - 4 - HB2 ARG 28 - HE3 LYS 44 lone 1 63 - 2 - HB2 LYS 31 - HE3 LYS 64 lone 1 31 - 3 - HB2 ARG 28 - HE3 LYS 64 lone 0 31 - 1 - Peak 2329 from cnoeabs.peaks (1.54, 2.71, 41.78 ppm; 3.64 A): 4 out of 20 assignments used, quality = 0.96: * HB3 LYS 44 + HE3 LYS 44 OK 78 100 - 78 - 4.8=42, 2274/1.8=14...(15) HD2 LYS 56 + HE3 LYS 44 OK 52 98 - 53 - 2319/1.8=6, 2299/3.0=5...(22) HD3 LYS 64 + HE3 LYS 64 OK 47 47 - 100 - 3.0=100 HD3 LYS 64 + HE3 LYS 44 OK 34 89 - 39 - 2879/3.5=4, 2319/1.8=4...(19) HB3 LYS 44 - HE3 LYS 64 OK 24 60 - 41 - 2275=5, 3.7/2305=4...(20) HB3 LYS 26 - HE3 LYS 44 OK 24 76 - 32 - 1690/3.0=3, 1.8/2333=3...(16) HG LEU 34 - HE3 LYS 44 OK 22 68 - 32 - 2.1/4669=7, 2.1/4671=5...(12) HG LEU 34 - HE3 LYS 64 OK 17 34 - 49 - 2.1/4669=10, 2.1/4671=9...(13) HG3 ARG 27 - HE3 LYS 44 OK 15 76 - 19 - 1.8/2332=2, 1794/3.0=2...(11) HD2 LYS 56 - HE3 LYS 64 OK 13 56 - 22 - 2874/3.0=2, ~6091=2...(4) HG LEU 30 - HE3 LYS 44 lone 4 100 - 4 - QB ALA 71 - HE3 LYS 64 lone 4 42 - 9 - 5662/3.8=3, 2874/3.0=1 QB ALA 71 - HE3 LYS 44 lone 3 81 - 4 - HB3 LEU 87 - HE3 LYS 44 lone 3 98 - 3 - HG3 ARG 27 - HE3 LYS 64 lone 3 38 - 7 - HB3 LYS 26 - HE3 LYS 64 lone 3 38 - 7 - HG LEU 30 - HE3 LYS 64 lone 2 60 - 3 - HB3 LEU 87 - HE3 LYS 64 lone 1 56 - 2 - HB2 LEU 85 - HE3 LYS 44 lone 1 63 - 2 - HB2 LEU 85 - HE3 LYS 64 lone 1 31 - 3 - Peak 2330 from cnoeabs.peaks (1.37, 2.71, 41.78 ppm; 3.61 A): 2 out of 24 assignments used, quality = 1.00: * HG2 LYS 44 + HE3 LYS 44 OK 100 100 - 100 - 3.5=100 HB3 LYS 56 + HE3 LYS 44 OK 53 99 - 54 - 2300/3.0=6, 2320/1.8=6...(25) HB2 LYS 64 - HE3 LYS 64 OK 45 57 - 79 - 4.9=39, 2879/3.0=10...(23) HD3 LYS 56 - HE3 LYS 44 OK 38 76 - 50 - 1.8/2329=5, 2300/3.0=5...(21) HB2 LYS 64 - HE3 LYS 44 OK 34 99 - 35 - 2300/3.0=5, 2320/1.8=4...(17) HG2 LYS 44 - HE3 LYS 64 OK 28 60 - 47 - 2879/3.0=5, 3.0/2305=5...(17) HG2 LYS 68 - HE3 LYS 44 OK 22 100 - 22 - 3056/3.0=4, 2320/1.8=3...(9) QB ALA 67 - HE3 LYS 64 OK 15 60 - 25 - 4172/6.7=8, 2879/3.0=3...(8) HB3 LYS 56 - HE3 LYS 64 OK 14 57 - 25 - 2879/3.0=3, 2869/3.0=2...(7) HB3 LEU 12 - HE3 LYS 64 OK 11 58 - 18 - 1177/3.0=3, 2879/3.0=2...(6) HG3 LYS 91 - HE3 LYS 44 poor 9 85 - 10 - 4.6/431=2 HG2 LYS 91 - HE3 LYS 44 poor 9 85 - 10 - 4.6/431=2 QB ALA 67 - HE3 LYS 44 lone 9 100 - 9 - HG2 LYS 68 - HE3 LYS 64 poor 8 60 - 14 - 2879/3.0=2, 2859/3.8=2...(5) HB3 LEU 12 - HE3 LYS 44 lone 8 99 - 8 - 4261/6.3=1, 2300/3.0=1 HD3 LYS 56 - HE3 LYS 64 poor 7 38 - 17 - ~6091=1, 1.8/2329=1...(4) QB ALA 89 - HE3 LYS 44 lone 5 93 - 6 - 3.6/938=3 QB ALA 69 - HE3 LYS 44 lone 5 92 - 5 - QB ALA 69 - HE3 LYS 64 lone 2 50 - 5 - HG2 LYS 91 - HE3 LYS 64 lone 2 45 - 5 - HG3 LYS 91 - HE3 LYS 64 lone 2 45 - 5 - QB ALA 89 - HE3 LYS 64 lone 1 51 - 2 - QB ALA 86 - HE3 LYS 44 lone 1 60 - 1 - QB ALA 86 - HE3 LYS 64 lone 1 29 - 2 - Peak 2331 from cnoeabs.peaks (1.18, 2.71, 41.78 ppm; 3.90 A): 2 out of 8 assignments used, quality = 1.00: * HG3 LYS 44 + HE3 LYS 44 OK 100 100 - 100 - 3.5=100 HG2 ARG 45 + HE3 LYS 44 OK 55 100 - 56 - 2321/1.8=10, 2301/3.0=10...(15) HG3 LYS 44 - HE3 LYS 64 OK 31 60 - 51 - 3.0/2305=5, 2295=5...(25) HG3 LYS 26 - HE3 LYS 44 OK 25 63 - 40 - 2294/1.8=5, 2301/3.0=5...(19) HG2 ARG 45 - HE3 LYS 64 OK 24 59 - 41 - 2338/3.0=7, 2337/3.0=6...(18) HG2 LYS 14 - HE3 LYS 44 poor 10 73 - 13 - 2294/1.8=2, 2301/3.0=2...(6) HG3 LYS 26 - HE3 LYS 64 lone 2 31 - 7 - HG2 LYS 14 - HE3 LYS 64 lone 1 37 - 2 - Peak 2332 from cnoeabs.peaks (1.42, 2.71, 41.78 ppm; 3.31 A): 1 out of 14 assignments used, quality = 1.00: * HD2 LYS 44 + HE3 LYS 44 OK 100 100 - 100 - 3.0=100 HG2 LYS 31 - HE3 LYS 44 OK 32 95 - 35 - 1953/3.0=5, 2322/1.8=4...(14) HB3 LEU 34 - HE3 LYS 44 OK 29 100 - 29 - 3.1/4669=5, 2322/1.8=4...(13) HB3 LYS 64 - HE3 LYS 64 OK 29 43 - 67 - 4.9=30, ~2891=7, ~2901=6...(21) HD3 LYS 56 - HE3 LYS 44 OK 27 63 - 44 - 1.8/2329=5, 2322/1.8=3...(21) HB3 LYS 64 - HE3 LYS 44 OK 25 83 - 30 - 2322/1.8=3, 2282/3.5=3...(15) HD2 LYS 44 - HE3 LYS 64 OK 23 60 - 39 - 2305=6, 1.8/2315=4...(20) HB3 LEU 34 - HE3 LYS 64 OK 21 60 - 35 - 3.1/4669=7, 3.1/4671=6...(11) HG2 ARG 27 - HE3 LYS 44 OK 20 100 - 20 - 2322/1.8=2, 2312/3.0=2...(9) HG2 LYS 65 - HE3 LYS 44 poor 10 71 - 14 - 2322/1.8=1, 2312/3.0=1 HD3 LYS 56 - HE3 LYS 64 poor 5 31 - 15 - ~6091=1, 1.8/2329=1 HG2 ARG 27 - HE3 LYS 64 lone 3 60 - 5 - HG2 LYS 65 - HE3 LYS 64 lone 2 35 - 6 - HG2 LYS 31 - HE3 LYS 64 lone 1 52 - 2 - Peak 2333 from cnoeabs.peaks (1.29, 2.71, 41.78 ppm; 3.74 A): 2 out of 18 assignments used, quality = 1.00: * HD3 LYS 44 + HE3 LYS 44 OK 100 100 - 100 - 3.0=100 HG3 LYS 56 + HE3 LYS 44 OK 53 97 - 55 - 2323/1.8=6, 2303/3.0=6...(27) HG3 LYS 31 - HE3 LYS 44 OK 41 98 - 42 - 1962/3.0=6, 2323/1.8=5...(18) HG3 ARG 45 - HE3 LYS 44 OK 32 65 - 49 - 1.8/2331=8, ~2321=7...(16) HB2 LYS 26 - HE3 LYS 44 OK 32 87 - 37 - 2323/1.8=4, 2303/3.0=3...(19) HD3 LYS 44 - HE3 LYS 64 OK 29 60 - 48 - 1.8/2305=7, 2315=6...(26) HB3 LYS 68 - HE3 LYS 44 OK 25 100 - 25 - 2323/1.8=3, 2283/3.5=3...(13) HG3 LYS 56 - HE3 LYS 64 OK 12 54 - 22 - ~6091=2, ~2879=1...(8) HG3 LYS 65 - HE3 LYS 44 OK 12 65 - 18 - 2323/1.8=1, 2303/3.0=1...(7) HG3 ARG 45 - HE3 LYS 64 OK 11 32 - 35 - ~2338=4, ~2337=4...(15) HB3 LYS 68 - HE3 LYS 64 poor 7 60 - 11 - 6047/3.8=3, 3047/4.9=1 QB ALA 60 - HE3 LYS 44 lone 6 85 - 7 - HG3 LYS 17 - HE3 LYS 44 lone 6 83 - 7 - HG3 LYS 17 - HE3 LYS 64 lone 3 43 - 8 - 1.8/4671=2, ~4671=1 HB2 LYS 26 - HE3 LYS 64 lone 3 46 - 6 - HG3 LYS 65 - HE3 LYS 64 lone 2 32 - 8 - QB ALA 60 - HE3 LYS 64 lone 1 45 - 3 - HG3 LYS 31 - HE3 LYS 64 lone 1 56 - 3 - Peak 2334 from cnoeabs.peaks (2.64, 2.71, 41.78 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * HE2 LYS 44 + HE3 LYS 44 OK 100 100 - 100 - 1.8=100 HG2 MET 21 - HE3 LYS 44 OK 11 90 - 12 - 2304/3.0=2, 2314/3.0=2...(8) HE2 LYS 44 - HE3 LYS 64 poor 10 60 - 16 - 2325=4, 3.0/2305=2...(6) HB2 ASP 88 - HE3 LYS 44 lone 2 81 - 2 - HG2 MET 21 - HE3 LYS 64 lone 0 49 - 1 - HB2 ASP 88 - HE3 LYS 64 lone 0 42 - 0 - Peak 2335 from cnoeabs.peaks (2.71, 2.71, 41.78 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 44 + HE3 LYS 44 OK 100 100 - 100 HE3 LYS 64 - HE3 LYS 64 OK 29 29 - 100 Peak 2336 from cnoeabs.peaks (4.36, 1.17, 27.31 ppm; 4.70 A): 2 out of 5 assignments used, quality = 1.00: * HA ARG 45 + HG2 ARG 45 OK 100 100 - 100 - 3.7=100 HA LYS 44 + HG2 ARG 45 OK 63 85 - 74 - 3.0/2271=13, 2251=12...(21) HA ILE 35 - HG2 ARG 45 OK 19 100 - 19 - 6021/2.9=3, 2343/1.8=3...(7) HA THR 13 - HG2 ARG 45 OK 10 78 - 13 - 6021/2.9=2, 2343/1.8=1...(4) HA PRO 84 - HG2 ARG 45 lone 6 97 - 6 - 6021/2.9=2, 6020/2.9=1 Peak 2337 from cnoeabs.peaks (1.51, 1.17, 27.31 ppm; 3.89 A): 2 out of 14 assignments used, quality = 1.00: * HB2 ARG 45 + HG2 ARG 45 OK 100 100 - 100 - 2.9=100 HD3 LYS 64 + HG2 ARG 45 OK 46 92 - 51 - 1.8/2338=9, 3.8/2338=5...(23) HB3 LYS 26 - HG2 ARG 45 OK 21 98 - 21 - 1.8/2340=3, 1690/1.8=3...(7) HB2 LYS 56 - HG2 ARG 45 lone 8 99 - 8 - HG LEU 34 - HG2 ARG 45 lone 5 99 - 5 - HD2 LYS 56 - HG2 ARG 45 lone 5 76 - 6 - HG2 GLU 37 - HG2 ARG 45 lone 4 99 - 4 - HG3 ARG 27 - HG2 ARG 45 lone 4 98 - 4 - QB ALA 71 - HG2 ARG 45 lone 4 97 - 4 - HB2 LEU 85 - HG2 ARG 45 lone 3 100 - 3 - HD2 LYS 17 - HG2 ARG 45 lone 3 100 - 3 - HD3 LYS 17 - HG2 ARG 45 lone 3 100 - 3 - HB3 LEU 87 - HG2 ARG 45 lone 2 76 - 3 - QB ALA 72 - HG2 ARG 45 lone 2 90 - 2 - Peak 2338 from cnoeabs.peaks (1.45, 1.17, 27.31 ppm; 3.60 A): 1 out of 8 assignments used, quality = 1.00: * HB3 ARG 45 + HG2 ARG 45 OK 100 100 - 100 - 2.9=100 HD2 LYS 64 - HG2 ARG 45 OK 45 100 - 45 - 1.8/2337=7, 6016/2.9=7...(20) HB3 LYS 64 - HG2 ARG 45 OK 37 95 - 40 - 6016/2.9=6, 6017=5...(20) HB3 LEU 76 - HG2 ARG 45 lone 6 98 - 6 - HG3 LYS 78 - HG2 ARG 45 lone 4 100 - 4 - HG2 LYS 65 - HG2 ARG 45 lone 4 99 - 3 - HG LEU 12 - HG2 ARG 45 lone 3 97 - 3 - HG LEU 79 - HG2 ARG 45 lone 2 78 - 2 - Peak 2339 from cnoeabs.peaks (1.17, 1.17, 27.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 45 + HG2 ARG 45 OK 100 100 - 100 Peak 2340 from cnoeabs.peaks (1.32, 1.17, 27.31 ppm; 3.03 A): 1 out of 8 assignments used, quality = 1.00: * HG3 ARG 45 + HG2 ARG 45 OK 100 100 - 100 - 1.8=100 HD3 LYS 44 - HG2 ARG 45 OK 35 65 - 53 - 1.8/2301=8, 3.0/2281=7...(24) QB ALA 60 - HG2 ARG 45 OK 17 99 - 17 - 5367/3.0=4, 5367/3.0=4...(6) HB2 LYS 26 - HG2 ARG 45 OK 14 98 - 14 - 1.8/2337=2, ~1690=1...(4) HG3 LYS 31 - HG2 ARG 45 OK 11 87 - 13 - ~1953=1, 1966/3.0=1, 1966/3.0=1 HB VAL 50 - HG2 ARG 45 lone 4 99 - 4 - HB3 LYS 68 - HG2 ARG 45 lone 2 71 - 2 - QB ALA 86 - HG2 ARG 45 lone 1 76 - 1 - Peak 2341 from cnoeabs.peaks (2.96, 1.17, 27.31 ppm; 3.80 A): 2 out of 8 assignments used, quality = 1.00: * HD2 ARG 45 + HG2 ARG 45 OK 100 100 - 100 - 3.0=100 HD3 ARG 45 + HG2 ARG 45 OK 100 100 - 100 - 3.0=100 HE2 LYS 31 - HG2 ARG 45 OK 14 95 - 14 - 2349/1.8=2, 3.6/2340=2...(5) HE3 LYS 31 - HG2 ARG 45 OK 14 93 - 14 - 3.6/2340=2, 2349/1.8=2...(5) HE2 LYS 91 - HG2 ARG 45 lone 5 97 - 5 - HE3 LYS 91 - HG2 ARG 45 lone 5 97 - 5 - HB3 HIS 15 - HG2 ARG 45 lone 4 98 - 4 - HB2 TYR 70 - HG2 ARG 45 lone 2 60 - 3 - Peak 2342 from cnoeabs.peaks (2.96, 1.17, 27.31 ppm; 3.80 A): 2 out of 8 assignments used, quality = 1.00: HD2 ARG 45 + HG2 ARG 45 OK 100 100 - 100 - 3.0=100 * HD3 ARG 45 + HG2 ARG 45 OK 100 100 - 100 - 3.0=100 HE2 LYS 31 - HG2 ARG 45 OK 14 95 - 14 - 2349/1.8=2, 3.6/2340=2...(5) HE3 LYS 31 - HG2 ARG 45 OK 14 93 - 14 - 3.6/2340=2, 2349/1.8=2...(5) HE2 LYS 91 - HG2 ARG 45 lone 5 97 - 5 - HE3 LYS 91 - HG2 ARG 45 lone 5 97 - 5 - HB3 HIS 15 - HG2 ARG 45 lone 4 98 - 4 - HB2 TYR 70 - HG2 ARG 45 lone 2 60 - 3 - Peak 2343 from cnoeabs.peaks (4.36, 1.32, 27.31 ppm; 4.71 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 45 + HG3 ARG 45 OK 100 100 - 100 - 3.7=100 HA LYS 44 + HG3 ARG 45 OK 51 85 - 60 - 2336/1.8=13, 6021/2.9=10...(18) HA LYS 44 - HD3 LYS 44 OK 34 35 - 99 - 4.8=94, 2297/1.8=16...(19) HA ARG 45 - HD3 LYS 44 OK 25 47 - 53 - 3.7/2340=8, 2297/1.8=7...(17) HA ILE 35 - HG3 ARG 45 OK 18 100 - 18 - 2336/1.8=4, 6021/2.9=3...(6) HA ILE 35 - HD3 LYS 44 OK 14 47 - 30 - 3922/5.8=6, ~157=5...(10) HA THR 13 - HG3 ARG 45 poor 9 78 - 12 - 2336/1.8=2, 6021/2.9=2...(4) HA THR 13 - HD3 LYS 44 poor 7 31 - 23 - 2297/1.8=4, 2277/3.0=3...(9) HA PRO 84 - HG3 ARG 45 lone 7 97 - 7 - 6021/2.9=2, 2336/1.8=1 HA PRO 84 - HD3 LYS 44 lone 1 43 - 2 - Peak 2344 from cnoeabs.peaks (1.51, 1.32, 27.31 ppm; 3.62 A): 1 out of 28 assignments used, quality = 1.00: * HB2 ARG 45 + HG3 ARG 45 OK 100 100 - 100 - 2.9=100 HD3 LYS 64 - HG3 ARG 45 OK 41 92 - 45 - 2337/1.8=7, 1.8/2345=6...(21) HB2 ARG 45 - HD3 LYS 44 OK 26 47 - 55 - 6015/3.0=9, 2.9/2340=6...(27) HB2 LYS 56 - HD3 LYS 44 OK 25 45 - 56 - ~2300=5, 2622/3.0=5...(33) HB3 LYS 26 - HG3 ARG 45 OK 25 98 - 25 - 1690=4, 2337/1.8=3...(12) HB3 LYS 26 - HD3 LYS 44 OK 20 44 - 45 - 1690=6, 3.0/1670=3...(22) HD3 LYS 64 - HD3 LYS 44 OK 16 39 - 42 - 2879/3.0=5, 2880/1.8=3...(21) HD2 LYS 56 - HD3 LYS 44 OK 14 30 - 49 - ~2300=4, ~2303=3...(32) HG LEU 34 - HD3 LYS 44 OK 14 46 - 30 - 2092/1.8=5, ~4669=4...(11) HG3 ARG 27 - HD3 LYS 44 poor 9 44 - 21 - 1794/1.8=4, ~1770=2...(10) HB2 LYS 56 - HG3 ARG 45 lone 6 99 - 6 - 2337/1.8=1 QB ALA 71 - HG3 ARG 45 lone 6 97 - 6 - HG3 ARG 27 - HG3 ARG 45 lone 4 98 - 4 - HG LEU 34 - HG3 ARG 45 lone 4 99 - 4 - HG2 GLU 37 - HG3 ARG 45 lone 4 99 - 4 - HD2 LYS 56 - HG3 ARG 45 lone 4 76 - 5 - HB2 LEU 85 - HG3 ARG 45 lone 4 100 - 3 - HD2 LYS 17 - HG3 ARG 45 lone 3 100 - 3 - HD3 LYS 17 - HG3 ARG 45 lone 3 100 - 3 - HG2 GLU 37 - HD3 LYS 44 lone 3 46 - 7 - 4779/3.0=1 QB ALA 72 - HG3 ARG 45 lone 3 90 - 3 - HD2 LYS 17 - HD3 LYS 44 lone 2 47 - 5 - HD3 LYS 17 - HD3 LYS 44 lone 2 47 - 5 - QB ALA 71 - HD3 LYS 44 lone 2 43 - 6 - HB3 LEU 87 - HG3 ARG 45 lone 2 76 - 3 - QB ALA 72 - HD3 LYS 44 lone 1 38 - 3 - HB2 LEU 85 - HD3 LYS 44 lone 1 47 - 2 - HB3 LEU 87 - HD3 LYS 44 lone 1 30 - 2 - Peak 2345 from cnoeabs.peaks (1.45, 1.32, 27.31 ppm; 3.36 A): 1 out of 16 assignments used, quality = 1.00: * HB3 ARG 45 + HG3 ARG 45 OK 100 100 - 100 - 2.9=100 HD2 LYS 64 - HG3 ARG 45 OK 38 100 - 38 - 2338/1.8=7, 6016/2.9=6...(13) HB3 LYS 64 - HG3 ARG 45 OK 29 95 - 31 - 2338/1.8=6, 6016/2.9=5...(11) HB3 ARG 45 - HD3 LYS 44 OK 22 47 - 47 - 6017/3.0=6, 2.9/2340=6...(23) HD2 LYS 64 - HD3 LYS 44 OK 19 47 - 41 - 2869/3.0=4, ~2299=3...(23) HB3 LYS 64 - HD3 LYS 44 OK 13 41 - 33 - 2839/3.0=3, ~2300=3...(16) HG2 LYS 65 - HD3 LYS 44 poor 6 45 - 14 - 3.7/4178=2 HB3 LEU 76 - HG3 ARG 45 lone 5 98 - 5 - HG3 LYS 78 - HG3 ARG 45 lone 4 100 - 3 - HG2 LYS 65 - HG3 ARG 45 lone 3 99 - 3 - HG LEU 12 - HD3 LYS 44 lone 3 44 - 6 - 4264/4.8=1 HG LEU 12 - HG3 ARG 45 lone 3 97 - 3 - HB3 LEU 76 - HD3 LYS 44 lone 2 44 - 4 - HG LEU 79 - HG3 ARG 45 lone 2 78 - 2 - HG3 LYS 78 - HD3 LYS 44 lone 1 47 - 1 - HG LEU 79 - HD3 LYS 44 lone 0 31 - 2 - Peak 2346 from cnoeabs.peaks (1.17, 1.32, 27.31 ppm; 3.08 A): 2 out of 6 assignments used, quality = 1.00: * HG2 ARG 45 + HG3 ARG 45 OK 100 100 - 100 - 1.8=100 HG3 LYS 44 + HD3 LYS 44 OK 46 46 - 100 - 3.0=100 HG3 LYS 44 - HG3 ARG 45 OK 44 100 - 44 - 6015/2.9=7, ~2281=6...(16) HG2 ARG 45 - HD3 LYS 44 OK 26 47 - 55 - 2340=9, 2301/1.8=9...(22) HG2 LYS 14 - HD3 LYS 44 poor 2 22 - 11 - 2301/1.8=2, 2281/3.0=1 HG2 LYS 14 - HG3 ARG 45 lone 1 60 - 2 - Peak 2347 from cnoeabs.peaks (1.32, 1.32, 27.31 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG3 ARG 45 + HG3 ARG 45 OK 100 100 - 100 HD3 LYS 44 - HD3 LYS 44 OK 25 25 - 100 Peak 2348 from cnoeabs.peaks (2.96, 1.32, 27.31 ppm; 3.74 A): 2 out of 16 assignments used, quality = 1.00: * HD2 ARG 45 + HG3 ARG 45 OK 100 100 - 100 - 3.0=100 HD3 ARG 45 + HG3 ARG 45 OK 100 100 - 100 - 3.0=100 HD2 ARG 45 - HD3 LYS 44 OK 22 47 - 47 - 3.0/2340=7, ~2301=5...(23) HD3 ARG 45 - HD3 LYS 44 OK 22 47 - 47 - 3.0/2340=7, ~2301=5...(23) HE2 LYS 31 - HG3 ARG 45 OK 16 95 - 17 - 2342/1.8=2, 3.6/1953=1...(7) HE3 LYS 31 - HG3 ARG 45 OK 16 93 - 17 - 2342/1.8=2, 3.6/1953=1...(7) HE2 LYS 31 - HD3 LYS 44 OK 10 41 - 25 - 3.6/1953=5, 3.0/1973=2...(14) HE3 LYS 31 - HD3 LYS 44 poor 10 40 - 25 - 3.6/1953=5, 3.0/1973=2...(14) HE2 LYS 91 - HG3 ARG 45 lone 6 97 - 6 - HE3 LYS 91 - HG3 ARG 45 lone 6 97 - 6 - HB3 HIS 15 - HG3 ARG 45 lone 4 98 - 4 - HB2 TYR 70 - HD3 LYS 44 poor 3 22 - 15 - ~4799=3, ~4797=2...(7) HE3 LYS 91 - HD3 LYS 44 lone 2 44 - 5 - HE2 LYS 91 - HD3 LYS 44 lone 2 44 - 5 - HB2 TYR 70 - HG3 ARG 45 lone 2 60 - 3 - HB3 HIS 15 - HD3 LYS 44 lone 1 44 - 1 - Peak 2349 from cnoeabs.peaks (2.96, 1.32, 27.31 ppm; 3.74 A): 2 out of 16 assignments used, quality = 1.00: HD2 ARG 45 + HG3 ARG 45 OK 100 100 - 100 - 3.0=100 * HD3 ARG 45 + HG3 ARG 45 OK 100 100 - 100 - 3.0=100 HD2 ARG 45 - HD3 LYS 44 OK 22 47 - 47 - 3.0/2340=7, ~2301=5...(23) HD3 ARG 45 - HD3 LYS 44 OK 22 47 - 47 - 3.0/2340=7, ~2301=5...(23) HE2 LYS 31 - HG3 ARG 45 OK 16 95 - 17 - 2342/1.8=2, 3.6/1953=1...(7) HE3 LYS 31 - HG3 ARG 45 OK 16 93 - 17 - 2342/1.8=2, 3.6/1953=1...(7) HE2 LYS 31 - HD3 LYS 44 OK 10 41 - 25 - 3.6/1953=5, 3.0/1973=2...(14) HE3 LYS 31 - HD3 LYS 44 poor 10 40 - 25 - 3.6/1953=5, 3.0/1973=2...(14) HE2 LYS 91 - HG3 ARG 45 lone 6 97 - 6 - HE3 LYS 91 - HG3 ARG 45 lone 6 97 - 6 - HB3 HIS 15 - HG3 ARG 45 lone 4 98 - 4 - HB2 TYR 70 - HD3 LYS 44 poor 3 22 - 15 - ~4799=3, ~4797=2...(7) HE3 LYS 91 - HD3 LYS 44 lone 2 44 - 5 - HE2 LYS 91 - HD3 LYS 44 lone 2 44 - 5 - HB2 TYR 70 - HG3 ARG 45 lone 2 60 - 3 - HB3 HIS 15 - HD3 LYS 44 lone 1 44 - 1 - Peak 2350 from cnoeabs.peaks (4.36, 2.96, 43.10 ppm; 5.02 A): 4 out of 10 assignments used, quality = 1.00: * HA ARG 45 + HD2 ARG 45 OK 100 100 - 100 - 4.7=100 HA ARG 45 + HD3 ARG 45 OK 100 100 - 100 - 4.7=100 HA LYS 44 + HD2 ARG 45 OK 46 85 - 55 - 2336/3.0=11, 6021/3.6=9...(15) HA LYS 44 + HD3 ARG 45 OK 46 85 - 55 - 2336/3.0=11, 6021/3.6=9...(15) HA ILE 35 - HD2 ARG 45 OK 18 100 - 18 - 2336/3.0=4, 6021/3.6=3...(7) HA ILE 35 - HD3 ARG 45 OK 18 100 - 18 - 2336/3.0=4, 6021/3.6=3...(7) HA THR 13 - HD2 ARG 45 poor 10 78 - 12 - 3.2/4788=2, 2336/3.0=2...(6) HA THR 13 - HD3 ARG 45 poor 10 78 - 12 - 3.2/4788=2, 2336/3.0=2...(6) HA PRO 84 - HD3 ARG 45 lone 7 97 - 7 - 6021/3.6=1, 2336/3.0=1 HA PRO 84 - HD2 ARG 45 lone 7 97 - 7 - 6021/3.6=1, 2336/3.0=1 Peak 2351 from cnoeabs.peaks (1.51, 2.96, 43.10 ppm; 3.32 A): 2 out of 28 assignments used, quality = 0.97: * HB2 ARG 45 + HD2 ARG 45 OK 82 100 - 82 - 3.6=76, 1.8/2359=11...(4) HB2 ARG 45 + HD3 ARG 45 OK 82 100 - 82 - 3.6=76, 1.8/2359=11...(4) HD3 LYS 64 - HD2 ARG 45 OK 21 92 - 23 - 2337/3.0=5, 1.8/2352=3...(9) HD3 LYS 64 - HD3 ARG 45 OK 21 92 - 23 - 2337/3.0=5, 1.8/2352=3...(9) HB3 LYS 26 - HD3 ARG 45 OK 16 98 - 16 - 2337/3.0=2, 1690/3.0=2...(8) HB3 LYS 26 - HD2 ARG 45 OK 16 98 - 16 - 2337/3.0=2, 1690/3.0=2...(8) HB2 LYS 56 - HD2 ARG 45 lone 3 99 - 3 - HB2 LYS 56 - HD3 ARG 45 lone 3 99 - 3 - HG3 ARG 27 - HD3 ARG 45 lone 2 98 - 2 - HG3 ARG 27 - HD2 ARG 45 lone 2 98 - 2 - HB2 LEU 85 - HD2 ARG 45 lone 2 100 - 2 - HB2 LEU 85 - HD3 ARG 45 lone 2 100 - 2 - QB ALA 71 - HD3 ARG 45 lone 2 97 - 2 - QB ALA 71 - HD2 ARG 45 lone 2 97 - 2 - HD3 LYS 17 - HD2 ARG 45 lone 2 100 - 2 - HD3 LYS 17 - HD3 ARG 45 lone 2 100 - 2 - HD2 LYS 17 - HD3 ARG 45 lone 2 100 - 2 - HD2 LYS 17 - HD2 ARG 45 lone 2 100 - 2 - HG LEU 34 - HD2 ARG 45 lone 2 99 - 2 - HG LEU 34 - HD3 ARG 45 lone 2 99 - 2 - HD2 LYS 56 - HD2 ARG 45 lone 2 76 - 2 - HD2 LYS 56 - HD3 ARG 45 lone 2 76 - 2 - HG2 GLU 37 - HD3 ARG 45 lone 1 99 - 1 - HG2 GLU 37 - HD2 ARG 45 lone 1 99 - 1 - HB3 LEU 87 - HD3 ARG 45 lone 1 76 - 2 - HB3 LEU 87 - HD2 ARG 45 lone 1 76 - 2 - QB ALA 72 - HD2 ARG 45 lone 1 90 - 1 - QB ALA 72 - HD3 ARG 45 lone 1 90 - 1 - Peak 2352 from cnoeabs.peaks (1.45, 2.96, 43.10 ppm; 3.30 A): 2 out of 16 assignments used, quality = 0.96: * HB3 ARG 45 + HD2 ARG 45 OK 80 100 - 80 - 3.6=74, 1.8/2351=10...(4) HB3 ARG 45 + HD3 ARG 45 OK 80 100 - 80 - 3.6=74, 1.8/2351=10...(4) HD2 LYS 64 - HD3 ARG 45 OK 24 100 - 24 - 2338/3.0=5, 6016/3.6=5...(8) HD2 LYS 64 - HD2 ARG 45 OK 24 100 - 24 - 2338/3.0=5, 6016/3.6=5...(8) HB3 LYS 64 - HD3 ARG 45 OK 16 94 - 17 - 2338/3.0=4, 6016/3.6=4...(7) HB3 LYS 64 - HD2 ARG 45 OK 16 94 - 17 - 2338/3.0=4, 6016/3.6=4...(7) HB3 LEU 76 - HD2 ARG 45 lone 3 98 - 3 - HB3 LEU 76 - HD3 ARG 45 lone 3 98 - 3 - HG LEU 79 - HD2 ARG 45 lone 2 78 - 2 - HG LEU 79 - HD3 ARG 45 lone 2 78 - 2 - HG3 LYS 78 - HD3 ARG 45 lone 2 100 - 2 - HG3 LYS 78 - HD2 ARG 45 lone 2 100 - 2 - HG2 LYS 65 - HD2 ARG 45 lone 2 99 - 2 - HG2 LYS 65 - HD3 ARG 45 lone 2 99 - 2 - HG LEU 12 - HD3 ARG 45 lone 1 97 - 1 - HG LEU 12 - HD2 ARG 45 lone 1 97 - 1 - Peak 2353 from cnoeabs.peaks (1.17, 2.96, 43.10 ppm; 3.32 A): 2 out of 6 assignments used, quality = 1.00: * HG2 ARG 45 + HD2 ARG 45 OK 100 100 - 100 - 3.0=100 HG2 ARG 45 + HD3 ARG 45 OK 100 100 - 100 - 3.0=100 HG3 LYS 44 - HD3 ARG 45 OK 40 100 - 40 - 6015/3.6=6, 2346/3.0=6...(14) HG3 LYS 44 - HD2 ARG 45 OK 40 100 - 40 - 6015/3.6=6, 2346/3.0=6...(14) HG2 LYS 14 - HD2 ARG 45 lone 1 60 - 1 - HG2 LYS 14 - HD3 ARG 45 lone 1 60 - 1 - Peak 2354 from cnoeabs.peaks (1.32, 2.96, 43.10 ppm; 3.10 A): 2 out of 16 assignments used, quality = 1.00: * HG3 ARG 45 + HD2 ARG 45 OK 100 100 - 100 - 3.0=100 HG3 ARG 45 + HD3 ARG 45 OK 100 100 - 100 - 3.0=100 HD3 LYS 44 - HD2 ARG 45 OK 22 65 - 33 - 2340/3.0=5, ~2301=4...(17) HD3 LYS 44 - HD3 ARG 45 OK 22 65 - 33 - 2340/3.0=5, ~2301=4...(17) QB ALA 60 - HD2 ARG 45 OK 19 99 - 19 - 5367=5, 5367/1.8=5...(5) QB ALA 60 - HD3 ARG 45 OK 19 99 - 19 - 5367=5, 5367/1.8=5...(5) HG3 LYS 31 - HD3 ARG 45 OK 15 87 - 17 - 2340/3.0=2, 1.8/1956=1...(7) HG3 LYS 31 - HD2 ARG 45 OK 15 87 - 17 - 2340/3.0=2, 1.8/1956=1...(7) HB2 LYS 26 - HD3 ARG 45 OK 14 98 - 15 - 2340/3.0=2, 1.8/2351=2...(7) HB2 LYS 26 - HD2 ARG 45 OK 14 98 - 15 - 2340/3.0=2, 1.8/2351=2...(7) HB VAL 50 - HD2 ARG 45 lone 3 99 - 3 - HB VAL 50 - HD3 ARG 45 lone 3 99 - 3 - HB3 LYS 68 - HD3 ARG 45 lone 1 71 - 1 - HB3 LYS 68 - HD2 ARG 45 lone 1 71 - 1 - QB ALA 86 - HD3 ARG 45 lone 1 76 - 1 - QB ALA 86 - HD2 ARG 45 lone 1 76 - 1 - Peak 2355 from cnoeabs.peaks (2.96, 2.96, 43.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 45 + HD3 ARG 45 OK 100 100 - 100 * HD2 ARG 45 + HD2 ARG 45 OK 100 100 - 100 Peak 2356 from cnoeabs.peaks (2.96, 2.96, 43.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 45 + HD3 ARG 45 OK 100 100 - 100 HD2 ARG 45 + HD2 ARG 45 OK 100 100 - 100 Reference assignment not found: HD3 ARG 45 - HD2 ARG 45 Peak 2357 from cnoeabs.peaks (4.36, 2.96, 43.10 ppm; 5.02 A): 4 out of 10 assignments used, quality = 1.00: HA ARG 45 + HD2 ARG 45 OK 100 100 - 100 - 4.7=100 * HA ARG 45 + HD3 ARG 45 OK 100 100 - 100 - 4.7=100 HA LYS 44 + HD2 ARG 45 OK 46 85 - 55 - 2336/3.0=11, 6021/3.6=9...(15) HA LYS 44 + HD3 ARG 45 OK 46 85 - 55 - 2336/3.0=11, 6021/3.6=9...(15) HA ILE 35 - HD2 ARG 45 OK 18 100 - 18 - 2336/3.0=4, 6021/3.6=3...(7) HA ILE 35 - HD3 ARG 45 OK 18 100 - 18 - 2336/3.0=4, 6021/3.6=3...(7) HA THR 13 - HD2 ARG 45 poor 10 78 - 12 - 3.2/4788=2, 2336/3.0=2...(6) HA THR 13 - HD3 ARG 45 poor 10 78 - 12 - 3.2/4788=2, 2336/3.0=2...(6) HA PRO 84 - HD3 ARG 45 lone 7 97 - 7 - 6021/3.6=1, 2336/3.0=1 HA PRO 84 - HD2 ARG 45 lone 7 97 - 7 - 6021/3.6=1, 2336/3.0=1 Peak 2358 from cnoeabs.peaks (1.51, 2.96, 43.10 ppm; 3.32 A): 2 out of 28 assignments used, quality = 0.97: HB2 ARG 45 + HD2 ARG 45 OK 82 100 - 82 - 3.6=76, 1.8/2359=11...(4) * HB2 ARG 45 + HD3 ARG 45 OK 82 100 - 82 - 3.6=76, 1.8/2359=11...(4) HD3 LYS 64 - HD2 ARG 45 OK 21 92 - 23 - 2337/3.0=5, 1.8/2352=3...(9) HD3 LYS 64 - HD3 ARG 45 OK 21 92 - 23 - 2337/3.0=5, 1.8/2352=3...(9) HB3 LYS 26 - HD3 ARG 45 OK 16 98 - 16 - 2337/3.0=2, 1690/3.0=2...(8) HB3 LYS 26 - HD2 ARG 45 OK 16 98 - 16 - 2337/3.0=2, 1690/3.0=2...(8) HB2 LYS 56 - HD2 ARG 45 lone 3 99 - 3 - HB2 LYS 56 - HD3 ARG 45 lone 3 99 - 3 - HG3 ARG 27 - HD3 ARG 45 lone 2 98 - 2 - HG3 ARG 27 - HD2 ARG 45 lone 2 98 - 2 - HB2 LEU 85 - HD2 ARG 45 lone 2 100 - 2 - HB2 LEU 85 - HD3 ARG 45 lone 2 100 - 2 - QB ALA 71 - HD3 ARG 45 lone 2 97 - 2 - QB ALA 71 - HD2 ARG 45 lone 2 97 - 2 - HD3 LYS 17 - HD2 ARG 45 lone 2 100 - 2 - HD3 LYS 17 - HD3 ARG 45 lone 2 100 - 2 - HD2 LYS 17 - HD3 ARG 45 lone 2 100 - 2 - HD2 LYS 17 - HD2 ARG 45 lone 2 100 - 2 - HG LEU 34 - HD2 ARG 45 lone 2 99 - 2 - HG LEU 34 - HD3 ARG 45 lone 2 99 - 2 - HD2 LYS 56 - HD2 ARG 45 lone 2 76 - 2 - HD2 LYS 56 - HD3 ARG 45 lone 2 76 - 2 - HG2 GLU 37 - HD3 ARG 45 lone 1 99 - 1 - HG2 GLU 37 - HD2 ARG 45 lone 1 99 - 1 - HB3 LEU 87 - HD3 ARG 45 lone 1 76 - 2 - HB3 LEU 87 - HD2 ARG 45 lone 1 76 - 2 - QB ALA 72 - HD2 ARG 45 lone 1 90 - 1 - QB ALA 72 - HD3 ARG 45 lone 1 90 - 1 - Peak 2359 from cnoeabs.peaks (1.45, 2.96, 43.10 ppm; 3.30 A): 2 out of 16 assignments used, quality = 0.96: HB3 ARG 45 + HD2 ARG 45 OK 80 100 - 80 - 3.6=74, 1.8/2351=10...(4) * HB3 ARG 45 + HD3 ARG 45 OK 80 100 - 80 - 3.6=74, 1.8/2351=10...(4) HD2 LYS 64 - HD3 ARG 45 OK 24 100 - 24 - 2338/3.0=5, 6016/3.6=5...(8) HD2 LYS 64 - HD2 ARG 45 OK 24 100 - 24 - 2338/3.0=5, 6016/3.6=5...(8) HB3 LYS 64 - HD3 ARG 45 OK 16 94 - 17 - 2338/3.0=4, 6016/3.6=4...(7) HB3 LYS 64 - HD2 ARG 45 OK 16 94 - 17 - 2338/3.0=4, 6016/3.6=4...(7) HB3 LEU 76 - HD2 ARG 45 lone 3 98 - 3 - HB3 LEU 76 - HD3 ARG 45 lone 3 98 - 3 - HG LEU 79 - HD2 ARG 45 lone 2 78 - 2 - HG LEU 79 - HD3 ARG 45 lone 2 78 - 2 - HG3 LYS 78 - HD3 ARG 45 lone 2 100 - 2 - HG3 LYS 78 - HD2 ARG 45 lone 2 100 - 2 - HG2 LYS 65 - HD2 ARG 45 lone 2 99 - 2 - HG2 LYS 65 - HD3 ARG 45 lone 2 99 - 2 - HG LEU 12 - HD3 ARG 45 lone 1 97 - 1 - HG LEU 12 - HD2 ARG 45 lone 1 97 - 1 - Peak 2360 from cnoeabs.peaks (1.17, 2.96, 43.10 ppm; 3.32 A): 2 out of 6 assignments used, quality = 1.00: HG2 ARG 45 + HD2 ARG 45 OK 100 100 - 100 - 3.0=100 * HG2 ARG 45 + HD3 ARG 45 OK 100 100 - 100 - 3.0=100 HG3 LYS 44 - HD3 ARG 45 OK 40 100 - 40 - 6015/3.6=6, 2346/3.0=6...(14) HG3 LYS 44 - HD2 ARG 45 OK 40 100 - 40 - 6015/3.6=6, 2346/3.0=6...(14) HG2 LYS 14 - HD2 ARG 45 lone 1 60 - 1 - HG2 LYS 14 - HD3 ARG 45 lone 1 60 - 1 - Peak 2361 from cnoeabs.peaks (1.32, 2.96, 43.10 ppm; 3.10 A): 2 out of 16 assignments used, quality = 1.00: HG3 ARG 45 + HD2 ARG 45 OK 100 100 - 100 - 3.0=100 * HG3 ARG 45 + HD3 ARG 45 OK 100 100 - 100 - 3.0=100 HD3 LYS 44 - HD2 ARG 45 OK 22 65 - 33 - 2340/3.0=5, ~2301=4...(17) HD3 LYS 44 - HD3 ARG 45 OK 22 65 - 33 - 2340/3.0=5, ~2301=4...(17) QB ALA 60 - HD2 ARG 45 OK 19 99 - 19 - 5367=5, 5367/1.8=5...(5) QB ALA 60 - HD3 ARG 45 OK 19 99 - 19 - 5367=5, 5367/1.8=5...(5) HG3 LYS 31 - HD3 ARG 45 OK 15 87 - 17 - 2340/3.0=2, 1.8/1956=1...(7) HG3 LYS 31 - HD2 ARG 45 OK 15 87 - 17 - 2340/3.0=2, 1.8/1956=1...(7) HB2 LYS 26 - HD3 ARG 45 OK 14 98 - 15 - 2340/3.0=2, 1.8/2351=2...(7) HB2 LYS 26 - HD2 ARG 45 OK 14 98 - 15 - 2340/3.0=2, 1.8/2351=2...(7) HB VAL 50 - HD2 ARG 45 lone 3 99 - 3 - HB VAL 50 - HD3 ARG 45 lone 3 99 - 3 - HB3 LYS 68 - HD3 ARG 45 lone 1 71 - 1 - HB3 LYS 68 - HD2 ARG 45 lone 1 71 - 1 - QB ALA 86 - HD3 ARG 45 lone 1 76 - 1 - QB ALA 86 - HD2 ARG 45 lone 1 76 - 1 - Peak 2362 from cnoeabs.peaks (2.96, 2.96, 43.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 45 + HD3 ARG 45 OK 100 100 - 100 HD2 ARG 45 + HD2 ARG 45 OK 100 100 - 100 Reference assignment not found: HD2 ARG 45 - HD3 ARG 45 Peak 2363 from cnoeabs.peaks (2.96, 2.96, 43.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 45 + HD3 ARG 45 OK 100 100 - 100 HD2 ARG 45 + HD2 ARG 45 OK 100 100 - 100 Peak 2364 from cnoeabs.peaks (5.16, 5.16, 56.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 46 + HA PHE 46 OK 100 100 - 100 Peak 2365 from cnoeabs.peaks (2.59, 5.16, 56.57 ppm; 3.59 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PHE 46 + HA PHE 46 OK 100 100 - 100 - 3.0=100 HB2 ASP 43 - HA PHE 46 OK 13 99 - 13 - 2385/3.7=3, 2375/3.0=3...(5) HB3 ASP 82 - HA PHE 46 lone 8 99 - 8 - 2375/3.0=2, 2385/3.7=2 HB3 ASP 88 - HA PHE 46 lone 4 100 - 4 - Peak 2366 from cnoeabs.peaks (2.55, 5.16, 56.57 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 46 + HA PHE 46 OK 100 100 - 100 - 3.0=100 HG2 MET 48 - HA PHE 46 OK 20 81 - 25 - 195/3.6=6, 2386/3.7=5...(8) HB2 ASP 43 - HA PHE 46 poor 7 60 - 11 - 2371/3.0=2, ~2244=2...(6) Peak 2368 from cnoeabs.peaks (7.02, 5.16, 56.57 ppm; 4.07 A): 2 out of 3 assignments used, quality = 1.00: * QD PHE 46 + HA PHE 46 OK 100 100 - 100 - 3.7=100 QE PHE 80 + HA PHE 46 OK 49 98 - 50 - 4716=28, 2378/3.0=10...(7) HD2 HIS 10 - HA PHE 46 lone 5 92 - 5 - 2378/3.0=1 Peak 2369 from cnoeabs.peaks (5.16, 2.59, 41.46 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 46 + HB2 PHE 46 OK 100 100 - 100 - 3.0=100 Peak 2370 from cnoeabs.peaks (2.59, 2.59, 41.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 46 + HB2 PHE 46 OK 100 100 - 100 Peak 2371 from cnoeabs.peaks (2.55, 2.59, 41.46 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 46 + HB2 PHE 46 OK 100 100 - 100 - 1.8=100 HG2 MET 48 - HB2 PHE 46 poor 10 81 - 12 - 4555/2.4=3, 2366/3.0=2...(5) HB2 ASP 43 - HB2 PHE 46 lone 6 60 - 10 - 1.8/2244=3, 3.0/2236=2 Peak 2373 from cnoeabs.peaks (7.02, 2.59, 41.46 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 46 + HB2 PHE 46 OK 100 100 - 100 - 2.4=100 QE PHE 80 - HB2 PHE 46 OK 39 98 - 40 - 4716/3.0=20, 197/4.2=6...(8) HD2 HIS 10 - HB2 PHE 46 lone 4 92 - 4 - Peak 2374 from cnoeabs.peaks (5.16, 2.55, 41.46 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 46 + HB3 PHE 46 OK 100 100 - 100 - 3.0=100 Peak 2375 from cnoeabs.peaks (2.59, 2.55, 41.46 ppm; 2.54 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PHE 46 + HB3 PHE 46 OK 100 100 - 100 - 1.8=100 HB2 ASP 43 - HB3 PHE 46 lone 9 99 - 9 - 4554/2.4=2, ~2244=1, 2365/3.0=1 HB3 ASP 82 - HB3 PHE 46 lone 6 99 - 6 - 4554/2.4=1, 4.0/6194=1 HB3 ASP 88 - HB3 PHE 46 lone 2 100 - 2 - Peak 2376 from cnoeabs.peaks (2.55, 2.55, 41.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 46 + HB3 PHE 46 OK 100 100 - 100 Peak 2378 from cnoeabs.peaks (7.02, 2.55, 41.46 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: * QD PHE 46 + HB3 PHE 46 OK 100 100 - 100 - 2.4=100 QE PHE 80 + HB3 PHE 46 OK 47 98 - 48 - 4716/3.0=22, 197/4.2=6...(14) HD2 HIS 10 - HB3 PHE 46 lone 5 92 - 5 - Peak 2382 from cnoeabs.peaks (7.34, 7.34, 131.08 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * QE PHE 46 + QE PHE 46 OK 97 97 - 100 Peak 2383 from cnoeabs.peaks (7.02, 7.34, 131.08 ppm; 5.08 A): 2 out of 3 assignments used, quality = 0.99: * QD PHE 46 + QE PHE 46 OK 97 97 - 100 - 2.2=100 QE PHE 80 + QE PHE 46 OK 57 94 - 60 - 4716/5.6=21, 2378/4.4=10...(14) HD2 HIS 10 - QE PHE 46 lone 7 87 - 8 - 4562/2.2=2, 2378/4.4=1 Peak 2384 from cnoeabs.peaks (5.16, 7.02, 131.23 ppm; 5.17 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 46 + QD PHE 46 OK 100 100 - 100 - 3.7=100 Peak 2385 from cnoeabs.peaks (2.59, 7.02, 131.23 ppm; 4.22 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PHE 46 + QD PHE 46 OK 100 100 - 100 - 2.4=100 HB2 ASP 43 - QD PHE 46 OK 23 98 - 23 - 2375/2.4=4, 3.0/4630=3...(8) HB3 ASP 82 - QD PHE 46 OK 15 99 - 15 - 3.0/4630=3, 2375/2.4=3...(7) HB3 ASP 88 - QD PHE 46 lone 6 100 - 5 - Peak 2386 from cnoeabs.peaks (2.55, 7.02, 131.23 ppm; 4.30 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 46 + QD PHE 46 OK 100 100 - 100 - 2.4=100 HG2 MET 48 - QD PHE 46 OK 37 80 - 46 - 3.3/4923=9, 195/4.8=6...(18) HB2 ASP 43 - QD PHE 46 OK 14 59 - 23 - 3.0/4630=3, ~2244=3...(9) Peak 2387 from cnoeabs.peaks (7.34, 7.02, 131.23 ppm; 4.04 A): 2 out of 5 assignments used, quality = 1.00: * QE PHE 46 + QD PHE 46 OK 99 99 - 100 - 2.2=100 HZ PHE 46 + QD PHE 46 OK 84 84 - 100 - 3.8=100 QD TYR 70 - QD PHE 46 OK 21 97 - 22 - ~3130=4, ~3136=4...(6) H ALA 75 - QD PHE 46 poor 9 80 - 11 - 5748/5787=1, ~3212=1...(4) H GLU 25 - QD PHE 46 lone 6 70 - 9 - 3.6/4630=2, 5407/5406=1 Peak 2388 from cnoeabs.peaks (7.02, 7.02, 131.23 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD PHE 46 + QD PHE 46 OK 99 99 - 100 Peak 2389 from cnoeabs.peaks (8.63, 5.04, 61.28 ppm; 4.51 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 47 + HA VAL 47 OK 100 100 - 100 - 3.0=100 H GLN 58 + HA VAL 47 OK 60 89 - 68 - 4.7/5335=19, 198/3.5=12...(12) Peak 2390 from cnoeabs.peaks (5.04, 5.04, 61.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 47 + HA VAL 47 OK 100 100 - 100 Peak 2391 from cnoeabs.peaks (1.93, 5.04, 61.28 ppm; 4.47 A): 3 out of 12 assignments used, quality = 1.00: * HB VAL 47 + HA VAL 47 OK 100 100 - 100 - 3.0=100 QE MET 48 + HA VAL 47 OK 66 100 - 66 - 2445/4.8=24, 2444/3.5=24...(12) HG3 PRO 81 + HA VAL 47 OK 56 97 - 58 - 2.3/5908=14, 2.3/5909=14...(17) HG3 GLU 49 - HA VAL 47 OK 39 100 - 39 - 4981/3.2=6, 4981/3.2=4...(14) HB2 GLU 33 - HA VAL 47 OK 29 96 - 30 - 4654/3.2=7, 4654/3.2=5...(11) HB2 LEU 76 - HA VAL 47 OK 28 92 - 30 - 2.9/5789=8, 4.0/6051=4...(10) HG3 PRO 84 - HA VAL 47 OK 17 87 - 20 - ~6192=3, 5913=2, ~6169=1...(5) HD2 LYS 78 - HA VAL 47 OK 11 97 - 11 - 3337/4584=1, 720/3.5=1 HB VAL 20 - HA VAL 47 lone 9 99 - 9 - 1492/5909=1 HB3 GLU 22 - HA VAL 47 lone 7 96 - 7 - HG2 PRO 19 - HA VAL 47 poor 7 60 - 12 - ~4375=2 HB2 GLU 77 - HA VAL 47 lone 3 63 - 4 - Peak 2392 from cnoeabs.peaks (0.84, 5.04, 61.28 ppm; 3.18 A): 2 out of 9 assignments used, quality = 1.00: * QG2 VAL 47 + HA VAL 47 OK 99 100 - 99 - 3.2=98, 4.3/3953=15...(15) QG1 VAL 47 + HA VAL 47 OK 84 85 - 99 - 3.2=98, 2.1/2400=18...(15) QG2 ILE 35 - HA VAL 47 OK 42 89 - 47 - 4708/4.8=9, ~4838=5...(20) HD2 LYS 26 - HA VAL 47 OK 13 98 - 13 - 3.6/4829=2, ~4840=2, 201/3.5=1 QD2 LEU 73 - HA VAL 47 lone 6 100 - 6 - QB ALA 75 - HA VAL 47 lone 5 63 - 8 - 5.0/5789=3, 3.6/6051=2 QD2 LEU 85 - HA VAL 47 lone 5 100 - 5 - QD2 LEU 87 - HA VAL 47 lone 3 100 - 3 - QD2 LEU 30 - HA VAL 47 lone 1 63 - 2 - Peak 2393 from cnoeabs.peaks (0.82, 5.04, 61.28 ppm; 3.18 A): 3 out of 8 assignments used, quality = 1.00: * QG1 VAL 47 + HA VAL 47 OK 99 100 - 99 - 3.2=98, 2.1/2400=18...(15) QG2 VAL 47 + HA VAL 47 OK 84 85 - 99 - 3.2=98, 4.3/3953=15...(15) QG2 ILE 35 + HA VAL 47 OK 49 100 - 49 - 4708/4.8=10, ~4838=5...(20) HG3 LYS 68 - HA VAL 47 OK 17 85 - 20 - 202/3.5=3, 2398/3.0=2...(8) HD2 LYS 26 - HA VAL 47 poor 7 63 - 12 - 3.6/4829=2, ~4840=2, 201/3.5=1 QD2 LEU 73 - HA VAL 47 lone 5 87 - 5 - QD2 LEU 85 - HA VAL 47 lone 4 92 - 5 - QD2 LEU 87 - HA VAL 47 lone 2 78 - 3 - Peak 2394 from cnoeabs.peaks (8.63, 1.93, 33.48 ppm; 4.05 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 47 + HB VAL 47 OK 100 100 - 100 - 4.0=100 H GLN 58 + HB VAL 47 OK 46 89 - 52 - ~5975=10, 2389/3.0=10...(12) Peak 2395 from cnoeabs.peaks (5.04, 1.93, 33.48 ppm; 4.57 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 47 + HB VAL 47 OK 100 100 - 100 - 3.0=100 HA PHE 80 + HB VAL 47 OK 47 100 - 47 - 2405/2.1=7, ~3432=6...(14) Peak 2396 from cnoeabs.peaks (1.93, 1.93, 33.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 47 + HB VAL 47 OK 100 100 - 100 Peak 2397 from cnoeabs.peaks (0.84, 1.93, 33.48 ppm; 2.92 A): 3 out of 9 assignments used, quality = 1.00: * QG2 VAL 47 + HB VAL 47 OK 100 100 - 100 - 2.1=100 QG1 VAL 47 + HB VAL 47 OK 85 85 - 100 - 2.1=100 QG2 ILE 35 + HB VAL 47 OK 46 89 - 52 - 3.2/4838=9, 4.0/5977=8...(19) HD2 LYS 26 - HB VAL 47 lone 9 98 - 9 - ~4840=2, 2392/3.0=1 QD2 LEU 73 - HB VAL 47 lone 4 100 - 4 - QD2 LEU 85 - HB VAL 47 lone 3 100 - 3 - QD2 LEU 87 - HB VAL 47 lone 2 100 - 2 - QB ALA 75 - HB VAL 47 lone 2 63 - 3 - QD2 LEU 30 - HB VAL 47 lone 1 63 - 1 - Peak 2398 from cnoeabs.peaks (0.82, 1.93, 33.48 ppm; 2.92 A): 3 out of 8 assignments used, quality = 1.00: * QG1 VAL 47 + HB VAL 47 OK 100 100 - 100 - 2.1=100 QG2 VAL 47 + HB VAL 47 OK 85 85 - 100 - 2.1=100 QG2 ILE 35 + HB VAL 47 OK 53 100 - 53 - 3.2/4838=9, 4.0/5977=8...(20) HG3 LYS 68 - HB VAL 47 OK 20 85 - 23 - 1.8/5551=2, 3.0/4839=2...(10) HD2 LYS 26 - HB VAL 47 lone 5 63 - 9 - ~4840=2 QD2 LEU 73 - HB VAL 47 lone 4 87 - 4 - QD2 LEU 85 - HB VAL 47 lone 3 92 - 3 - QD2 LEU 87 - HB VAL 47 lone 2 78 - 2 - Peak 2399 from cnoeabs.peaks (8.63, 0.84, 20.61 ppm; 3.41 A): 3 out of 4 assignments used, quality = 0.95: * H VAL 47 + QG2 VAL 47 OK 85 100 - 85 - 3.9=64, 3.0/2400=16...(15) H VAL 47 + QG1 VAL 47 OK 47 56 - 84 - 3.9=64, 712/2.1=11...(15) H GLN 58 + QG2 VAL 47 OK 40 89 - 45 - 2394/2.1=8, ~5975=7...(16) H GLN 58 - QG1 VAL 47 OK 19 44 - 44 - 2394/2.1=8, 2389/3.2=6...(13) Peak 2400 from cnoeabs.peaks (5.04, 0.84, 20.61 ppm; 3.04 A): 2 out of 4 assignments used, quality = 0.96: * HA VAL 47 + QG2 VAL 47 OK 93 100 - 93 - 3.2=86, 3953/4.3=14...(16) HA VAL 47 + QG1 VAL 47 OK 52 56 - 92 - 3.2=86, 3953/4.3=14...(16) HA PHE 80 - QG2 VAL 47 OK 20 100 - 20 - 2395/2.1=5, 710/3.9=3...(8) HA PHE 80 - QG1 VAL 47 OK 12 55 - 21 - 2395/2.1=5, 710/3.9=3...(9) Peak 2401 from cnoeabs.peaks (1.93, 0.84, 20.61 ppm; 2.76 A): 2 out of 24 assignments used, quality = 1.00: * HB VAL 47 + QG2 VAL 47 OK 100 100 - 100 - 2.1=100 HB VAL 47 + QG1 VAL 47 OK 56 56 - 100 - 2.1=100 QE MET 48 - QG2 VAL 47 OK 23 100 - 23 - 2444/4.3=7, 4868/2.1=3...(9) HG3 GLU 49 - QG2 VAL 47 OK 22 100 - 22 - 3.0/6169=2, 4981/2.1=2...(8) HG3 PRO 81 - QG2 VAL 47 OK 17 97 - 17 - 5913/3.2=2, 1.8/6169=2...(6) HB2 GLU 33 - QG2 VAL 47 OK 17 96 - 17 - 4654/2.1=4, 4654=3...(7) HG3 GLU 49 - QG1 VAL 47 OK 12 55 - 22 - 4981=2, 3.0/4964=2...(11) QE MET 48 - QG1 VAL 47 OK 12 56 - 21 - 2444/4.3=7, ~4830=2...(8) HB2 LEU 76 - QG2 VAL 47 poor 10 92 - 10 - 1.8/6174=2, ~5789=1...(5) HB2 GLU 33 - QG1 VAL 47 poor 9 50 - 19 - 4654=4, 4654/2.1=3...(6) HG3 PRO 81 - QG1 VAL 47 poor 8 51 - 16 - 5913/3.2=2, ~5914=2...(6) HG3 PRO 84 - QG2 VAL 47 lone 6 87 - 7 - ~6192=1, 2.3/6169=1 HB2 LEU 76 - QG1 VAL 47 poor 5 46 - 10 - 1.8/6174=1, ~5789=1...(5) HD2 LYS 78 - QG2 VAL 47 lone 3 97 - 3 - HB3 GLU 22 - QG2 VAL 47 lone 3 96 - 3 - HG3 PRO 84 - QG1 VAL 47 lone 3 43 - 6 - HG2 PRO 19 - QG2 VAL 47 lone 3 60 - 4 - HB VAL 20 - QG2 VAL 47 lone 2 99 - 2 - HD2 LYS 78 - QG1 VAL 47 lone 2 52 - 3 - HB3 GLU 22 - QG1 VAL 47 lone 1 50 - 3 - HG2 PRO 19 - QG1 VAL 47 lone 1 27 - 4 - HB VAL 20 - QG1 VAL 47 lone 1 54 - 2 - HB2 GLU 77 - QG2 VAL 47 lone 1 63 - 1 - HB2 GLU 77 - QG1 VAL 47 lone 0 28 - 1 - Peak 2402 from cnoeabs.peaks (0.84, 0.84, 20.61 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 47 + QG2 VAL 47 OK 100 100 - 100 QG1 VAL 47 - QG1 VAL 47 OK 41 41 - 100 Peak 2403 from cnoeabs.peaks (0.82, 0.84, 20.61 ppm; diagonal): 2 out of 2 assignments used, quality = 0.93: QG2 VAL 47 + QG2 VAL 47 OK 85 85 - 100 QG1 VAL 47 + QG1 VAL 47 OK 56 56 - 100 Reference assignment not found: QG1 VAL 47 - QG2 VAL 47 Peak 2404 from cnoeabs.peaks (8.63, 0.82, 20.93 ppm; 4.38 A): 3 out of 4 assignments used, quality = 1.00: * H VAL 47 + QG1 VAL 47 OK 100 100 - 100 - 3.9=100 H GLN 58 + QG1 VAL 47 OK 68 89 - 76 - 3.0/5975=19, 4.7/5978=15...(22) H VAL 47 + QG2 VAL 47 OK 56 56 - 100 - 3.9=100 H GLN 58 - QG2 VAL 47 OK 30 44 - 67 - 2394/2.1=13, ~5975=12...(18) Peak 2405 from cnoeabs.peaks (5.04, 0.82, 20.93 ppm; 3.46 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 47 + QG1 VAL 47 OK 100 100 - 100 - 3.2=100 HA VAL 47 + QG2 VAL 47 OK 56 56 - 100 - 3.2=100 HA PHE 80 - QG1 VAL 47 OK 29 100 - 29 - 2395/2.1=7, 710/3.9=4...(12) HA PHE 80 - QG2 VAL 47 OK 14 55 - 25 - 2395/2.1=7, 710/3.9=4...(7) Peak 2406 from cnoeabs.peaks (1.93, 0.82, 20.93 ppm; 3.04 A): 2 out of 24 assignments used, quality = 1.00: * HB VAL 47 + QG1 VAL 47 OK 100 100 - 100 - 2.1=100 HB VAL 47 + QG2 VAL 47 OK 56 56 - 100 - 2.1=100 HG3 GLU 49 - QG1 VAL 47 OK 37 100 - 37 - 1.8/4977=3, 3.0/4964=3...(19) QE MET 48 - QG1 VAL 47 OK 35 100 - 35 - 2444/4.3=8, 4868=3...(13) HB2 GLU 33 - QG1 VAL 47 OK 25 96 - 27 - 4654=6, 4654/2.1=3...(11) HG3 PRO 81 - QG1 VAL 47 OK 22 97 - 22 - 5913/3.2=3, ~5914=3...(10) HG3 GLU 49 - QG2 VAL 47 OK 17 55 - 30 - 4981/2.1=3, ~4977=2...(20) QE MET 48 - QG2 VAL 47 OK 16 56 - 29 - 2444/4.3=8, 4868/2.1=4...(11) HB2 LEU 76 - QG1 VAL 47 OK 12 92 - 13 - ~5789=2, 1.8/6174=2...(5) HB2 GLU 33 - QG2 VAL 47 OK 11 50 - 23 - 4654/2.1=5, 4654=4...(9) HG3 PRO 81 - QG2 VAL 47 OK 10 51 - 20 - 5913/3.2=3, ~5914=3...(10) HG3 PRO 84 - QG1 VAL 47 OK 10 87 - 12 - 2.3/6192=2, 2.3/6168=1 HB2 LEU 76 - QG2 VAL 47 poor 6 46 - 12 - 1.8/6174=2, ~5789=2...(5) HD2 LYS 78 - QG1 VAL 47 lone 5 97 - 5 - HB3 GLU 22 - QG1 VAL 47 lone 4 96 - 4 - HB VAL 20 - QG1 VAL 47 lone 4 99 - 4 - HG3 PRO 84 - QG2 VAL 47 lone 4 43 - 9 - ~6192=2 HG2 PRO 19 - QG1 VAL 47 lone 4 60 - 6 - 1.8/4375=1 HD2 LYS 78 - QG2 VAL 47 lone 2 52 - 3 - HB3 GLU 22 - QG2 VAL 47 lone 2 50 - 3 - HB VAL 20 - QG2 VAL 47 lone 1 54 - 3 - HB2 GLU 77 - QG1 VAL 47 lone 1 63 - 2 - HG2 PRO 19 - QG2 VAL 47 lone 1 27 - 5 - 1.8/4375=1 HB2 GLU 77 - QG2 VAL 47 lone 0 28 - 1 - Peak 2407 from cnoeabs.peaks (0.84, 0.82, 20.93 ppm; diagonal): 2 out of 2 assignments used, quality = 0.93: QG1 VAL 47 + QG1 VAL 47 OK 85 85 - 100 QG2 VAL 47 + QG2 VAL 47 OK 56 56 - 100 Reference assignment not found: QG2 VAL 47 - QG1 VAL 47 Peak 2408 from cnoeabs.peaks (0.82, 0.82, 20.93 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 47 + QG1 VAL 47 OK 100 100 - 100 QG2 VAL 47 - QG2 VAL 47 OK 41 41 - 100 Peak 2409 from cnoeabs.peaks (9.23, 5.61, 52.17 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H MET 48 + HA MET 48 OK 100 100 - 100 - 3.0=100 Peak 2410 from cnoeabs.peaks (5.61, 5.61, 52.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 48 + HA MET 48 OK 100 100 - 100 Peak 2411 from cnoeabs.peaks (1.79, 5.61, 52.17 ppm; 3.44 A): 1 out of 17 assignments used, quality = 1.00: * HB2 MET 48 + HA MET 48 OK 100 100 - 100 - 3.0=100 HG3 GLU 37 - HA MET 48 OK 41 99 - 41 - 2417=11, 2416/3.0=6...(13) HB3 GLU 33 - HA MET 48 OK 36 81 - 45 - 4.1/4644=13, 4.2/4698=9...(17) HB2 GLU 37 - HA MET 48 OK 24 78 - 31 - 3.0/2417=7, ~2416=3...(15) HB2 LYS 65 - HA MET 48 OK 21 99 - 21 - 2425/3.0=3, 2439/4.0=2...(12) HG LEU 76 - HA MET 48 OK 16 93 - 17 - 2425/3.0=2, 2439/4.0=2...(8) HB2 LYS 44 - HA MET 48 OK 13 81 - 17 - 4.0/4905=3, 2.9/4847=1 HD3 LYS 78 - HA MET 48 OK 11 97 - 12 - 205/3.6=1, 1.8/2415=1 HB2 ARG 27 - HA MET 48 lone 8 87 - 9 - HB2 LYS 31 - HA MET 48 lone 7 99 - 7 - 205/3.6=1 HB2 LYS 91 - HA MET 48 lone 6 100 - 6 - QB ALA 74 - HA MET 48 lone 5 87 - 6 - 716/3.0=1 HG2 GLU 51 - HA MET 48 lone 5 93 - 5 - HG3 GLU 51 - HA MET 48 lone 5 92 - 5 - HB2 ARG 28 - HA MET 48 lone 5 99 - 5 - QE MET 11 - HA MET 48 lone 2 71 - 3 - HB3 ARG 28 - HA MET 48 lone 2 65 - 3 - Peak 2412 from cnoeabs.peaks (1.75, 5.61, 52.17 ppm; 3.50 A): 1 out of 9 assignments used, quality = 1.00: * HB3 MET 48 + HA MET 48 OK 100 100 - 100 - 3.0=100 HB3 LYS 65 - HA MET 48 OK 23 90 - 25 - 2419/3.0=4, 2440/4.0=3...(12) HB2 LEU 73 - HA MET 48 OK 16 100 - 16 - 717/3.0=2, 2440/4.0=2...(6) HB3 GLN 55 - HA MET 48 OK 12 100 - 12 - 4.5/4905=2, 2419/3.0=2...(6) HB2 LYS 17 - HA MET 48 poor 10 57 - 17 - 2.9/4692=5, 717/3.0=1...(5) HB2 ARG 27 - HA MET 48 poor 8 73 - 11 - 717/3.0=1, 2419/3.0=1 QE MET 11 - HA MET 48 lone 6 89 - 7 - 717/3.0=1 QB ALA 74 - HA MET 48 lone 6 73 - 8 - 717/3.0=1 HB3 ARG 28 - HA MET 48 lone 6 92 - 6 - Peak 2413 from cnoeabs.peaks (2.53, 5.61, 52.17 ppm; 4.31 A): 2 out of 5 assignments used, quality = 1.00: * HG2 MET 48 + HA MET 48 OK 100 100 - 100 - 4.0=100 HB2 TYR 32 + HA MET 48 OK 58 90 - 65 - 4.7/4644=19, 2427/3.0=9...(12) HE3 LYS 26 - HA MET 48 OK 29 97 - 30 - 718/3.0=4, 2427/3.0=4...(12) HE2 LYS 26 - HA MET 48 OK 27 93 - 29 - 2427/3.0=4, 718/3.0=4...(12) HB3 PHE 46 - HA MET 48 OK 17 81 - 21 - 718/3.0=4, 5504/5502=3...(8) Peak 2414 from cnoeabs.peaks (2.35, 5.61, 52.17 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 48 + HA MET 48 OK 100 100 - 100 - 4.0=98, 719/3.0=31...(23) Peak 2415 from cnoeabs.peaks (1.93, 5.61, 52.17 ppm; 4.00 A): 4 out of 12 assignments used, quality = 1.00: * QE MET 48 + HA MET 48 OK 94 100 - 94 - 2445=50, 3.3/2414=27...(21) HB VAL 47 + HA MET 48 OK 78 100 - 78 - ~3953=14, ~199=13...(22) HB2 GLU 33 + HA MET 48 OK 60 96 - 62 - 4.1/4644=18, 4.2/4698=14...(20) HG3 GLU 49 + HA MET 48 OK 48 100 - 48 - 5.0/204=22, 4982/4730=6...(13) HB2 LEU 76 - HA MET 48 OK 23 92 - 25 - 2429/3.0=3, 3226/3.0=3...(12) HD2 LYS 78 - HA MET 48 OK 15 97 - 16 - 2429/3.0=2, 1.8/2411=2...(7) HG3 PRO 81 - HA MET 48 OK 12 97 - 13 - 5913/4.8=5, 726/3.6=2, 720/3.0=2 HG3 PRO 84 - HA MET 48 OK 12 87 - 14 - 209/3.6=2, ~4872=2...(4) HB VAL 20 - HA MET 48 lone 9 99 - 9 - 2436/4.0=1, 2429/3.0=1 HB3 GLU 22 - HA MET 48 lone 8 96 - 9 - 209/3.6=1 HG2 PRO 19 - HA MET 48 lone 6 60 - 10 - ~4872=2 HB2 GLU 77 - HA MET 48 lone 2 63 - 4 - Peak 2416 from cnoeabs.peaks (9.23, 1.79, 35.42 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * H MET 48 + HB2 MET 48 OK 100 100 - 100 - 4.0=100 H MET 48 - HG3 GLU 37 OK 43 99 - 43 - 3.0/2417=10, 716=7...(13) Peak 2417 from cnoeabs.peaks (5.61, 1.79, 35.42 ppm; 3.95 A): 2 out of 2 assignments used, quality = 1.00: * HA MET 48 + HB2 MET 48 OK 100 100 - 100 - 3.0=100 HA MET 48 + HG3 GLU 37 OK 48 99 - 48 - 3.0/2416=9, 4.0/2421=7...(16) Peak 2418 from cnoeabs.peaks (1.79, 1.79, 35.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 MET 48 + HB2 MET 48 OK 100 100 - 100 HG3 GLU 37 + HG3 GLU 37 OK 98 98 - 100 Peak 2419 from cnoeabs.peaks (1.75, 1.79, 35.42 ppm; 2.63 A): 1 out of 18 assignments used, quality = 1.00: * HB3 MET 48 + HB2 MET 48 OK 100 100 - 100 - 1.8=100 HB3 MET 48 - HG3 GLU 37 OK 24 99 - 24 - 3.0/2421=4, 3.0/2417=4...(9) HB3 LYS 65 - HB2 MET 48 OK 23 90 - 26 - 2929=4, 2433/3.0=2...(9) HB2 LEU 73 - HB2 MET 48 OK 11 100 - 11 - 2433/3.0=1, 2440/3.0=1...(4) HB3 GLN 55 - HB2 MET 48 lone 10 100 - 10 - 2929=1, 2433/3.0=1 HB2 ARG 27 - HB2 MET 48 lone 7 73 - 9 - HB3 LYS 65 - HG3 GLU 37 lone 6 88 - 7 - HB2 LYS 17 - HB2 MET 48 lone 5 57 - 9 - QE MET 11 - HB2 MET 48 lone 5 89 - 5 - QB ALA 74 - HB2 MET 48 lone 5 73 - 6 - HB3 ARG 28 - HB2 MET 48 lone 5 92 - 5 - HB2 ARG 27 - HG3 GLU 37 lone 4 71 - 5 - HB2 LEU 73 - HG3 GLU 37 lone 2 99 - 2 - QB ALA 74 - HG3 GLU 37 lone 2 71 - 3 - QE MET 11 - HG3 GLU 37 lone 2 86 - 2 - HB3 GLN 55 - HG3 GLU 37 lone 2 99 - 2 - HB3 ARG 28 - HG3 GLU 37 lone 2 90 - 2 - HB2 LYS 17 - HG3 GLU 37 lone 1 55 - 3 - Peak 2420 from cnoeabs.peaks (2.53, 1.79, 35.42 ppm; 3.62 A): 2 out of 10 assignments used, quality = 1.00: * HG2 MET 48 + HB2 MET 48 OK 100 100 - 100 - 3.0=100 HB2 TYR 32 + HB2 MET 48 OK 53 90 - 59 - ~4908=8, 2441/3.0=8...(17) HG2 MET 48 - HG3 GLU 37 OK 44 99 - 44 - 1.8/2421=10, 4.0/2417=6...(15) HE3 LYS 26 - HB2 MET 48 OK 21 97 - 22 - 2413/3.0=3, 2441/3.0=3...(11) HE2 LYS 26 - HB2 MET 48 OK 20 93 - 21 - 2413/3.0=3, 2441/3.0=3...(11) HB3 PHE 46 - HB2 MET 48 OK 18 81 - 22 - 2441/3.0=3, ~2386=3...(9) HB3 PHE 46 - HG3 GLU 37 OK 15 78 - 20 - ~4818=4, ~4633=3...(8) HB2 TYR 32 - HG3 GLU 37 poor 10 88 - 11 - 2.5/4907=2, 4.7/3958=1 HE3 LYS 26 - HG3 GLU 37 lone 4 95 - 4 - HE2 LYS 26 - HG3 GLU 37 lone 4 91 - 4 - Peak 2421 from cnoeabs.peaks (2.35, 1.79, 35.42 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * HG3 MET 48 + HB2 MET 48 OK 100 100 - 100 - 3.0=100 HG3 MET 48 + HG3 GLU 37 OK 46 99 - 46 - 4.0/2417=7, 1.8/2420=6...(17) Peak 2422 from cnoeabs.peaks (1.93, 1.79, 35.42 ppm; 3.77 A): 1 out of 24 assignments used, quality = 0.96: * QE MET 48 + HB2 MET 48 OK 96 100 - 96 - 4.0=84, 2445/3.0=27...(11) HB VAL 47 - HB2 MET 48 OK 43 100 - 43 - 4.4/716=8, ~4830=6...(12) HB2 GLU 33 - HB2 MET 48 OK 40 96 - 42 - 2044/4.7=7, 4.1/3958=6...(15) QE MET 48 - HG3 GLU 37 OK 35 99 - 35 - 3.3/2421=8, 5.3/2417=5...(11) HB2 LEU 76 - HB2 MET 48 OK 33 92 - 36 - 3226=4, 2443/3.0=3...(16) HG3 GLU 49 - HB2 MET 48 OK 27 100 - 27 - 2475/4.7=8, 2415/3.0=3...(8) HD2 LYS 78 - HB2 MET 48 OK 18 97 - 18 - 3344=2, 2436/3.0=2...(7) HD2 LYS 78 - HG3 GLU 37 OK 15 96 - 15 - 3340/3.0=1, 3344=1...(6) HG3 GLU 49 - HG3 GLU 37 OK 13 99 - 13 - 5.0/3958=2, ~2185=1, 3.0/2191=1 HB3 GLU 22 - HG3 GLU 37 OK 13 94 - 14 - ~2185=1, 6120/1.8=1...(4) HB VAL 47 - HG3 GLU 37 OK 11 99 - 11 - 4.4/2416=5, 2.1/4852=1 HB2 LEU 76 - HG3 GLU 37 OK 10 90 - 11 - 3226=1 HG3 PRO 84 - HB2 MET 48 poor 9 87 - 10 - 209/4.7=2 HB VAL 20 - HB2 MET 48 lone 9 99 - 9 - 2436/3.0=1, 2443/3.0=1 HB2 GLU 33 - HG3 GLU 37 lone 9 94 - 9 - 4.1/3958=1 HG3 PRO 81 - HB2 MET 48 lone 7 97 - 8 - 726/4.7=1, 200/4.0=1 HB3 GLU 22 - HB2 MET 48 lone 7 96 - 7 - HG3 PRO 84 - HG3 GLU 37 lone 6 85 - 7 - ~2185=1 HG2 PRO 19 - HG3 GLU 37 lone 5 58 - 9 - ~2185=2, ~4378=1, 1.8/2191=1 HG3 PRO 81 - HG3 GLU 37 lone 5 95 - 5 - HG2 PRO 19 - HB2 MET 48 lone 4 60 - 7 - ~4888=2 HB VAL 20 - HG3 GLU 37 lone 3 98 - 3 - HB2 GLU 77 - HB2 MET 48 lone 3 63 - 5 - 4.0/360=1 HB2 GLU 77 - HG3 GLU 37 lone 2 61 - 3 - Peak 2423 from cnoeabs.peaks (9.23, 1.75, 35.42 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * H MET 48 + HB3 MET 48 OK 100 100 - 100 - 4.0=100 Peak 2424 from cnoeabs.peaks (5.61, 1.75, 35.42 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 48 + HB3 MET 48 OK 100 100 - 100 - 3.0=100 Peak 2425 from cnoeabs.peaks (1.79, 1.75, 35.42 ppm; 2.69 A): 1 out of 17 assignments used, quality = 1.00: * HB2 MET 48 + HB3 MET 48 OK 100 100 - 100 - 1.8=100 HG3 GLU 37 - HB3 MET 48 OK 25 99 - 26 - 2421/3.0=4, 2417/3.0=4...(10) HB2 LYS 65 - HB3 MET 48 OK 24 99 - 25 - 2920=4, 3.0/2910=2...(12) HB2 GLU 37 - HB3 MET 48 OK 17 78 - 22 - 2920=2, 3.0/4898=2...(11) HB3 GLU 33 - HB3 MET 48 OK 17 81 - 21 - 4.1/3959=3, 1.8/2429=2...(11) HG LEU 76 - HB3 MET 48 OK 16 93 - 17 - ~5771=2, 2439/3.0=1...(9) HD3 LYS 78 - HB3 MET 48 lone 8 97 - 9 - HB2 ARG 27 - HB3 MET 48 lone 7 87 - 8 - HB2 LYS 44 - HB3 MET 48 lone 7 81 - 9 - HB2 LYS 31 - HB3 MET 48 lone 5 99 - 5 - 4597/4908=1 HB2 LYS 91 - HB3 MET 48 lone 4 100 - 4 - QB ALA 74 - HB3 MET 48 lone 4 87 - 5 - HB2 ARG 28 - HB3 MET 48 lone 4 99 - 4 - HG2 GLU 51 - HB3 MET 48 lone 3 93 - 3 - HG3 GLU 51 - HB3 MET 48 lone 3 92 - 3 - QE MET 11 - HB3 MET 48 lone 2 71 - 3 - HB3 ARG 28 - HB3 MET 48 lone 2 65 - 3 - Peak 2426 from cnoeabs.peaks (1.75, 1.75, 35.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 48 + HB3 MET 48 OK 100 100 - 100 Peak 2427 from cnoeabs.peaks (2.53, 1.75, 35.42 ppm; 3.64 A): 2 out of 5 assignments used, quality = 1.00: * HG2 MET 48 + HB3 MET 48 OK 100 100 - 100 - 3.0=100 HB2 TYR 32 + HB3 MET 48 OK 55 90 - 61 - 2.5/4908=11, 2441/3.0=8...(17) HE3 LYS 26 - HB3 MET 48 OK 23 97 - 23 - 2413/3.0=3, 2441/3.0=3...(13) HE2 LYS 26 - HB3 MET 48 OK 21 93 - 23 - 2413/3.0=3, 2441/3.0=3...(13) HB3 PHE 46 - HB3 MET 48 OK 16 81 - 21 - 2441/3.0=3, ~2386=3...(9) Peak 2428 from cnoeabs.peaks (2.35, 1.75, 35.42 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 48 + HB3 MET 48 OK 100 100 - 100 - 3.0=100 Peak 2429 from cnoeabs.peaks (1.93, 1.75, 35.42 ppm; 3.80 A): 2 out of 12 assignments used, quality = 0.98: * QE MET 48 + HB3 MET 48 OK 96 100 - 96 - 4.0=87, 2445/3.0=27...(14) HB VAL 47 + HB3 MET 48 OK 46 100 - 46 - 4.4/717=13, ~4830=6...(11) HB2 GLU 33 - HB3 MET 48 OK 40 96 - 42 - 4.1/3959=8, 2044/4.7=7...(14) HB2 LEU 76 - HB3 MET 48 OK 30 92 - 33 - 3226/1.8=3, 2443/3.0=3...(15) HG3 GLU 49 - HB3 MET 48 OK 28 100 - 28 - 5.0/206=11, 2415/3.0=3...(8) HD2 LYS 78 - HB3 MET 48 OK 16 97 - 16 - 3344/1.8=2, 2436/3.0=2...(5) HB VAL 20 - HB3 MET 48 lone 10 99 - 10 - 2436/3.0=1, 5539/4877=1 HG3 PRO 84 - HB3 MET 48 lone 9 87 - 10 - 209/4.7=2 HG3 PRO 81 - HB3 MET 48 lone 7 97 - 7 - 726/4.7=1, 720/4.0=1 HB3 GLU 22 - HB3 MET 48 lone 6 96 - 6 - HG2 PRO 19 - HB3 MET 48 lone 4 60 - 7 - ~4888=2 HB2 GLU 77 - HB3 MET 48 lone 2 63 - 3 - Peak 2430 from cnoeabs.peaks (9.23, 2.53, 33.06 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.97: * H MET 48 + HG2 MET 48 OK 97 100 - 97 - 5.1=70, 719/1.8=45...(17) Peak 2431 from cnoeabs.peaks (5.61, 2.53, 33.06 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 48 + HG2 MET 48 OK 100 100 - 100 - 4.0=100 Peak 2432 from cnoeabs.peaks (1.79, 2.53, 33.06 ppm; 3.31 A): 1 out of 17 assignments used, quality = 1.00: * HB2 MET 48 + HG2 MET 48 OK 100 100 - 100 - 3.0=100 HG3 GLU 37 - HG2 MET 48 OK 37 99 - 38 - 2421/1.8=9, 2420=6...(14) HB2 LYS 65 - HG2 MET 48 OK 32 99 - 32 - ~4887=3, ~2440=3...(14) HG LEU 76 - HG2 MET 48 OK 27 93 - 29 - 2.1/5771=4, 2439/1.8=3...(10) HB3 GLU 33 - HG2 MET 48 OK 25 81 - 31 - 4.1/3960=5, 1.8/2436=4...(12) HB2 GLU 37 - HG2 MET 48 OK 23 78 - 29 - ~2421=4, 3.0/2420=4...(12) HD3 LYS 78 - HG2 MET 48 OK 14 97 - 14 - 1.8/2436=2, 2439/1.8=1...(5) HB2 LYS 31 - HG2 MET 48 OK 12 99 - 12 - 4.1/651=4, 4597/4912=2 HB2 LYS 44 - HG2 MET 48 OK 11 81 - 13 - 2.9/4855=1, 2439/1.8=1 HB2 ARG 27 - HG2 MET 48 lone 8 87 - 10 - HB2 LYS 91 - HG2 MET 48 lone 7 100 - 7 - QB ALA 74 - HG2 MET 48 lone 6 87 - 7 - HB2 ARG 28 - HG2 MET 48 lone 5 99 - 5 - HG2 GLU 51 - HG2 MET 48 lone 4 93 - 5 - HG3 GLU 51 - HG2 MET 48 lone 4 92 - 5 - QE MET 11 - HG2 MET 48 lone 2 71 - 3 - HB3 ARG 28 - HG2 MET 48 lone 2 65 - 3 - Peak 2433 from cnoeabs.peaks (1.75, 2.53, 33.06 ppm; 3.29 A): 1 out of 9 assignments used, quality = 1.00: * HB3 MET 48 + HG2 MET 48 OK 100 100 - 100 - 3.0=100 HB3 LYS 65 - HG2 MET 48 OK 31 90 - 35 - 2440/1.8=5, 2447/3.3=4...(14) HB2 LEU 73 - HG2 MET 48 OK 18 100 - 18 - 2440/1.8=3, 2447/3.3=2...(6) HB3 GLN 55 - HG2 MET 48 OK 13 100 - 13 - 4.5/4914=2, 2440/1.8=2...(5) HB2 LYS 17 - HG2 MET 48 poor 8 57 - 14 - ~4673=3, 2440/1.8=2...(4) HB2 ARG 27 - HG2 MET 48 poor 8 73 - 11 - 2440/1.8=1 QE MET 11 - HG2 MET 48 lone 6 89 - 7 - 2440/1.8=1, 2447/3.3=1 QB ALA 74 - HG2 MET 48 lone 6 73 - 8 - 2440/1.8=1 HB3 ARG 28 - HG2 MET 48 lone 6 92 - 6 - 2440/1.8=1 Peak 2434 from cnoeabs.peaks (2.53, 2.53, 33.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 48 + HG2 MET 48 OK 100 100 - 100 Peak 2435 from cnoeabs.peaks (2.35, 2.53, 33.06 ppm; 2.70 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 48 + HG2 MET 48 OK 100 100 - 100 - 1.8=100 Peak 2436 from cnoeabs.peaks (1.93, 2.53, 33.06 ppm; 3.68 A): 2 out of 12 assignments used, quality = 1.00: * QE MET 48 + HG2 MET 48 OK 100 100 - 100 - 3.3=100 HB VAL 47 + HG2 MET 48 OK 52 100 - 52 - 4.4/2430=15, ~4830=7...(16) HB2 GLU 33 - HG2 MET 48 OK 39 96 - 41 - 4.1/3960=7, 2443/1.8=4...(15) HB2 LEU 76 - HG2 MET 48 OK 34 92 - 37 - 3.1/5771=4, 2443/1.8=4...(14) HG3 GLU 49 - HG2 MET 48 OK 28 100 - 28 - 5.0/3960=6, 2443/1.8=4...(9) HD2 LYS 78 - HG2 MET 48 OK 17 97 - 18 - 2443/1.8=2, 1.8/2432=2...(5) HB VAL 20 - HG2 MET 48 OK 15 99 - 15 - 2443/1.8=2, ~4869=1...(4) HG3 PRO 84 - HG2 MET 48 lone 9 87 - 10 - 2.3/4888=1 HB3 GLU 22 - HG2 MET 48 lone 7 96 - 8 - HG3 PRO 81 - HG2 MET 48 lone 7 97 - 7 - HG2 PRO 19 - HG2 MET 48 lone 5 60 - 8 - 2.3/4888=2 HB2 GLU 77 - HG2 MET 48 lone 2 63 - 3 - Peak 2437 from cnoeabs.peaks (9.23, 2.35, 33.06 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.97: * H MET 48 + HG3 MET 48 OK 97 100 - 97 - 5.1=59, 2430/1.8=35...(18) Peak 2438 from cnoeabs.peaks (5.61, 2.35, 33.06 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 48 + HG3 MET 48 OK 100 100 - 100 - 4.0=100 Peak 2439 from cnoeabs.peaks (1.79, 2.35, 33.06 ppm; 3.42 A): 1 out of 17 assignments used, quality = 1.00: * HB2 MET 48 + HG3 MET 48 OK 100 100 - 100 - 3.0=100 HG3 GLU 37 - HG3 MET 48 OK 40 99 - 40 - 2421=11, 2417/4.0=5...(15) HB2 LYS 65 - HG3 MET 48 OK 34 99 - 34 - ~4887=4, ~2433=4...(16) HG LEU 76 - HG3 MET 48 OK 30 93 - 33 - ~5771=4, 2.1/4863=3...(14) HB3 GLU 33 - HG3 MET 48 OK 26 81 - 32 - 4.1/3961=5, 1.8/2443=4...(14) HB2 GLU 37 - HG3 MET 48 OK 25 78 - 32 - 3.0/2421=7, 2432/1.8=3...(14) HD3 LYS 78 - HG3 MET 48 OK 14 97 - 14 - 1.8/2443=2, 2432/1.8=2...(5) HB2 LYS 44 - HG3 MET 48 OK 11 81 - 14 - 2.9/4860=1, 2432/1.8=1 HB2 ARG 27 - HG3 MET 48 lone 8 87 - 9 - HB2 LYS 31 - HG3 MET 48 lone 7 99 - 7 - 2446/3.3=1, 2432/1.8=1 HB2 LYS 91 - HG3 MET 48 lone 7 100 - 7 - QB ALA 74 - HG3 MET 48 lone 6 87 - 6 - HB2 ARG 28 - HG3 MET 48 lone 5 99 - 5 - HG2 GLU 51 - HG3 MET 48 lone 4 93 - 5 - HG3 GLU 51 - HG3 MET 48 lone 4 92 - 4 - QE MET 11 - HG3 MET 48 lone 2 71 - 3 - HB3 ARG 28 - HG3 MET 48 lone 2 65 - 3 - Peak 2440 from cnoeabs.peaks (1.75, 2.35, 33.06 ppm; 3.39 A): 1 out of 9 assignments used, quality = 1.00: * HB3 MET 48 + HG3 MET 48 OK 100 100 - 100 - 3.0=100 HB3 LYS 65 - HG3 MET 48 OK 32 90 - 36 - 2433/1.8=6, 2447/3.3=4...(18) HB2 LEU 73 - HG3 MET 48 OK 18 100 - 18 - 2433/1.8=3, 2447/3.3=2...(6) HB3 GLN 55 - HG3 MET 48 OK 12 100 - 12 - 2433/1.8=2, 2447/3.3=2...(4) HB2 LYS 17 - HG3 MET 48 poor 9 57 - 16 - 2.9/4673=5, 2433/1.8=2...(5) HB2 ARG 27 - HG3 MET 48 poor 8 73 - 11 - 2433/1.8=1, 2419/3.0=1 QE MET 11 - HG3 MET 48 lone 7 89 - 7 - 2433/1.8=1, 2447/3.3=1 HB3 ARG 28 - HG3 MET 48 lone 6 92 - 6 - 2433/1.8=1 QB ALA 74 - HG3 MET 48 lone 6 73 - 8 - 2433/1.8=1 Peak 2441 from cnoeabs.peaks (2.53, 2.35, 33.06 ppm; 2.69 A): 1 out of 5 assignments used, quality = 1.00: * HG2 MET 48 + HG3 MET 48 OK 100 100 - 100 - 1.8=100 HB2 TYR 32 - HG3 MET 48 OK 40 90 - 44 - 2448/3.3=5, ~4912=4...(21) HB3 PHE 46 - HG3 MET 48 OK 15 81 - 19 - ~2386=2, ~4555=2...(9) HE3 LYS 26 - HG3 MET 48 OK 14 97 - 14 - 2427/3.0=2, 2448/3.3=1...(5) HE2 LYS 26 - HG3 MET 48 OK 13 93 - 14 - 2427/3.0=1, 3.9/4861=1...(5) Peak 2442 from cnoeabs.peaks (2.35, 2.35, 33.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 48 + HG3 MET 48 OK 100 100 - 100 Peak 2443 from cnoeabs.peaks (1.93, 2.35, 33.06 ppm; 3.75 A): 2 out of 12 assignments used, quality = 1.00: * QE MET 48 + HG3 MET 48 OK 100 100 - 100 - 3.3=100 HB VAL 47 + HG3 MET 48 OK 56 100 - 56 - 4.4/719=19, 3.0/4830=10...(17) HB2 GLU 33 - HG3 MET 48 OK 40 96 - 42 - 4.1/3961=7, 2436/1.8=5...(14) HB2 LEU 76 - HG3 MET 48 OK 37 92 - 40 - 3.1/4863=4, 2436/1.8=4...(16) HG3 GLU 49 - HG3 MET 48 OK 34 100 - 34 - 5.0/208=13, 2436/1.8=3...(9) HD2 LYS 78 - HG3 MET 48 OK 18 97 - 18 - 2436/1.8=2, 1.8/2439=2...(5) HB VAL 20 - HG3 MET 48 OK 14 99 - 14 - 2436/1.8=2, ~4869=2...(4) HG3 PRO 84 - HG3 MET 48 poor 9 87 - 10 - ~4888=1, 2436/1.8=1 HG3 PRO 81 - HG3 MET 48 lone 8 97 - 8 - HB3 GLU 22 - HG3 MET 48 lone 7 96 - 8 - HG2 PRO 19 - HG3 MET 48 lone 5 60 - 8 - ~4888=2 HB2 GLU 77 - HG3 MET 48 lone 2 63 - 3 - Peak 2444 from cnoeabs.peaks (9.23, 1.93, 17.04 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.98: * H MET 48 + QE MET 48 OK 98 100 - 98 - 6.2=56, 3.0/2445=43...(19) Peak 2445 from cnoeabs.peaks (5.61, 1.93, 17.04 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.92: * HA MET 48 + QE MET 48 OK 92 100 - 92 - 5.3=41, 2414/3.3=26...(21) Peak 2446 from cnoeabs.peaks (1.79, 1.93, 17.04 ppm; 3.33 A): 4 out of 17 assignments used, quality = 0.94: * HB2 MET 48 + QE MET 48 OK 83 100 - 83 - 4.0=58, 3.0/2445=21...(11) HG LEU 76 + QE MET 48 OK 31 93 - 33 - 2.1/4869=8, 3.0/4864=4...(12) HB3 GLU 33 + QE MET 48 OK 31 81 - 38 - 4.2/4920=8, 3.0/4891=8...(13) HB2 LYS 65 + QE MET 48 OK 26 99 - 27 - 3.0/4887=8, 3.0/4864=3...(9) HG3 GLU 37 - QE MET 48 OK 26 99 - 26 - 2421/3.3=6, 2417/5.3=3...(8) HB2 LYS 31 - QE MET 48 OK 17 99 - 17 - 4.1/4921=9, 4597/4925=2 HD3 LYS 78 - QE MET 48 OK 17 97 - 17 - 2.9/4864=2, 3353=2...(4) HB2 GLU 37 - QE MET 48 OK 12 78 - 16 - ~2421=2, 3.0/2422=2...(6) HB2 LYS 44 - QE MET 48 poor 9 81 - 12 - 2.9/4865=1 HB2 ARG 27 - QE MET 48 lone 8 87 - 9 - 3.0/4891=1 QB ALA 74 - QE MET 48 lone 7 87 - 8 - HG2 GLU 51 - QE MET 48 lone 6 93 - 6 - HG3 GLU 51 - QE MET 48 lone 6 92 - 6 - HB2 ARG 28 - QE MET 48 lone 4 99 - 4 - HB2 LYS 91 - QE MET 48 lone 4 100 - 4 - QE MET 11 - QE MET 48 lone 3 71 - 5 - HB3 ARG 28 - QE MET 48 lone 2 65 - 2 - Peak 2447 from cnoeabs.peaks (1.75, 1.93, 17.04 ppm; 3.09 A): 3 out of 9 assignments used, quality = 0.83: * HB3 MET 48 + QE MET 48 OK 75 100 - 75 - 4.0=47, 3.0/2445=18...(11) HB3 LYS 65 + QE MET 48 OK 22 90 - 25 - 3.0/4887=6, 2433/3.3=3...(9) HB2 LEU 73 + QE MET 48 OK 13 100 - 13 - 3.1/4868=2, 2433/3.3=2 HB3 GLN 55 - QE MET 48 lone 9 100 - 9 - 4.5/4925=2, 2433/3.3=1 HB2 LYS 17 - QE MET 48 poor 8 57 - 13 - 2.9/4866=2, 4.6/4920=2...(4) QE MET 11 - QE MET 48 lone 6 89 - 7 - HB2 ARG 27 - QE MET 48 lone 5 73 - 7 - 3.0/4891=1 QB ALA 74 - QE MET 48 lone 5 73 - 7 - HB3 ARG 28 - QE MET 48 lone 4 92 - 4 - Peak 2448 from cnoeabs.peaks (2.53, 1.93, 17.04 ppm; 2.97 A): 2 out of 5 assignments used, quality = 0.93: * HG2 MET 48 + QE MET 48 OK 85 100 - 85 - 3.3=70, 4.0/2445=12...(13) HB2 TYR 32 + QE MET 48 OK 54 90 - 60 - 1.8/4884=13, 2.5/4925=13...(17) HB3 PHE 46 - QE MET 48 OK 19 81 - 24 - 2.4/4923=3, 6082/4885=3...(9) HE3 LYS 26 - QE MET 48 OK 15 97 - 15 - 2441/3.3=2, 3.9/4866=2...(4) HE2 LYS 26 - QE MET 48 OK 14 93 - 15 - 2441/3.3=2, 3.9/4866=2 Peak 2449 from cnoeabs.peaks (2.35, 1.93, 17.04 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 48 + QE MET 48 OK 100 100 - 100 - 3.3=100 Peak 2450 from cnoeabs.peaks (1.93, 1.93, 17.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 48 + QE MET 48 OK 100 100 - 100 Peak 2451 from cnoeabs.peaks (9.43, 5.67, 54.09 ppm; 4.16 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 49 + HA GLU 49 OK 100 100 - 100 - 3.0=100 H GLU 33 + HA GLU 49 OK 60 97 - 63 - 210/3.6=11, 2463/3.0=11...(17) Peak 2452 from cnoeabs.peaks (5.67, 5.67, 54.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 49 + HA GLU 49 OK 100 100 - 100 Peak 2453 from cnoeabs.peaks (1.84, 5.67, 54.09 ppm; 3.59 A): 3 out of 9 assignments used, quality = 1.00: * HB2 GLU 49 + HA GLU 49 OK 100 100 - 100 - 3.0=100 HB3 PRO 84 + HA GLU 49 OK 51 98 - 52 - 1.8/4958=9, 2465/3.0=6...(25) HB ILE 35 + HA GLU 49 OK 50 63 - 80 - 3.2/4729=16, ~4986=8...(33) HG2 PRO 81 - HA GLU 49 OK 28 92 - 31 - 2.3/5296=4, 2.3/4958=4...(14) HB2 GLU 22 - HA GLU 49 OK 18 100 - 18 - 2465/3.0=2, 2477/3.7=2...(9) HB3 LYS 78 - HA GLU 49 OK 14 71 - 19 - 2465/3.0=2, 2477/3.7=2...(8) HB3 GLU 37 - HA GLU 49 OK 11 90 - 12 - ~3958=2, 723/3.0=1...(4) HB VAL 66 - HA GLU 49 lone 5 100 - 5 - HG3 PRO 19 - HA GLU 49 lone 5 78 - 7 - Peak 2454 from cnoeabs.peaks (2.02, 5.67, 54.09 ppm; 3.40 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLU 49 + HA GLU 49 OK 100 100 - 100 - 3.0=100 HG2 GLU 49 + HA GLU 49 OK 93 100 - 93 - 3.7=80, 3966/3.6=13...(21) HG2 PRO 84 - HA GLU 49 OK 33 78 - 42 - 2.3/4958=7, 2.3/2453=5...(21) HB2 LEU 34 - HA GLU 49 OK 29 76 - 38 - ~4931=9, 724/3.0=4...(19) HB2 LEU 23 - HA GLU 49 OK 15 100 - 15 - ~1594=2, 2460/3.0=2...(6) HB2 LYS 78 - HA GLU 49 OK 11 73 - 15 - 3303/3.7=2, 2461/3.0=2...(5) HB2 GLN 55 - HA GLU 49 lone 6 85 - 7 - HG3 GLN 55 - HA GLU 49 lone 5 83 - 6 - HB2 GLU 25 - HA GLU 49 lone 1 71 - 2 - Peak 2455 from cnoeabs.peaks (2.02, 5.67, 54.09 ppm; 3.40 A): 2 out of 10 assignments used, quality = 1.00: HB3 GLU 49 + HA GLU 49 OK 100 100 - 100 - 3.0=100 * HG2 GLU 49 + HA GLU 49 OK 93 100 - 93 - 3.7=80, 3966/3.6=13...(21) HG2 PRO 84 - HA GLU 49 OK 35 83 - 42 - 2.3/4958=7, 2.3/2453=5...(21) HB2 LEU 34 - HA GLU 49 OK 31 81 - 38 - ~4931=9, 724/3.0=4...(19) HB2 LEU 23 - HA GLU 49 OK 15 100 - 15 - ~1594=2, 2460/3.0=2...(6) HB2 LYS 78 - HA GLU 49 OK 12 78 - 15 - 3303/3.7=2, 2461/3.0=2...(5) HE3 LYS 68 - HA GLU 49 poor 7 60 - 12 - 3.7/4961=2, ~6181=2...(6) HB2 GLN 55 - HA GLU 49 lone 5 81 - 6 - HG3 GLN 55 - HA GLU 49 lone 5 78 - 6 - HB2 GLU 25 - HA GLU 49 lone 2 76 - 2 - Peak 2456 from cnoeabs.peaks (1.93, 5.67, 54.09 ppm; 3.77 A): 2 out of 10 assignments used, quality = 1.00: * HG3 GLU 49 + HA GLU 49 OK 100 100 - 100 - 3.7=100 QE MET 48 + HA GLU 49 OK 45 100 - 45 - 3962/3.0=14, ~208=9...(13) HB2 GLU 33 - HA GLU 49 OK 44 90 - 49 - 2044/3.0=11, 4.1/2451=7...(15) HG3 PRO 84 - HA GLU 49 OK 40 78 - 52 - 2.3/4958=9, 2.3/2453=6...(22) HB VAL 47 - HA GLU 49 OK 37 100 - 37 - 2.1/4961=5, 4.0/4930=4...(14) HG3 PRO 81 - HA GLU 49 OK 32 99 - 32 - 2.3/5296=4, 2.3/4958=4...(14) HD2 LYS 78 - HA GLU 49 OK 21 99 - 21 - 2468/3.0=3, 3340/3.0=2...(10) HB3 GLU 22 - HA GLU 49 OK 16 90 - 18 - 1.8/2453=3, 2462/3.0=2...(8) HB VAL 20 - HA GLU 49 lone 8 97 - 9 - HB2 LEU 76 - HA GLU 49 lone 7 85 - 8 - 215/3.6=1, 209/3.0=1 Peak 2457 from cnoeabs.peaks (9.43, 1.84, 35.84 ppm; 4.26 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 49 + HB2 GLU 49 OK 100 100 - 100 - 3.7=100 H GLU 33 + HB2 GLU 49 OK 56 97 - 58 - 2463/1.8=14, 2451/3.0=12...(13) Peak 2458 from cnoeabs.peaks (5.67, 1.84, 35.84 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 49 + HB2 GLU 49 OK 100 100 - 100 - 3.0=100 Peak 2459 from cnoeabs.peaks (1.84, 1.84, 35.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 49 + HB2 GLU 49 OK 100 100 - 100 Peak 2460 from cnoeabs.peaks (2.02, 1.84, 35.84 ppm; 2.87 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLU 49 + HB2 GLU 49 OK 100 100 - 100 - 1.8=100 HG2 GLU 49 + HB2 GLU 49 OK 95 100 - 95 - 3.0=92, 3966/4.3=7...(10) HG2 PRO 84 - HB2 GLU 49 OK 32 78 - 41 - 3559=4, 1.8/2462=4...(23) HB2 LEU 34 - HB2 GLU 49 OK 19 76 - 25 - 3.1/4680=3, 724/3.7=2...(11) HB2 LEU 23 - HB2 GLU 49 OK 15 100 - 15 - ~1594=2, 3.9/73=2...(6) HB2 LYS 78 - HB2 GLU 49 OK 15 73 - 20 - 3303/3.0=2, 3300=1...(6) HB2 GLN 55 - HB2 GLU 49 lone 5 85 - 6 - 4.6/4934=2 HG3 GLN 55 - HB2 GLU 49 lone 4 83 - 5 - 4.7/4934=2 HB2 GLU 25 - HB2 GLU 49 lone 1 71 - 2 - Peak 2461 from cnoeabs.peaks (2.02, 1.84, 35.84 ppm; 2.87 A): 2 out of 10 assignments used, quality = 1.00: HB3 GLU 49 + HB2 GLU 49 OK 100 100 - 100 - 1.8=100 * HG2 GLU 49 + HB2 GLU 49 OK 95 100 - 95 - 3.0=92, 3966/4.3=7...(10) HG2 PRO 84 - HB2 GLU 49 OK 34 83 - 42 - 3559=4, 1.8/2462=4...(23) HB2 LEU 34 - HB2 GLU 49 OK 20 81 - 25 - 3.1/4680=3, 724/3.7=2...(11) HB2 LYS 78 - HB2 GLU 49 OK 16 78 - 20 - 3303/3.0=2, 3300=2...(6) HB2 LEU 23 - HB2 GLU 49 OK 15 100 - 15 - ~1594=2, 3.9/73=2...(6) HE3 LYS 68 - HB2 GLU 49 poor 7 60 - 12 - 3.7/4964=2, 3.0/4987=2...(4) HB2 GLN 55 - HB2 GLU 49 lone 4 81 - 6 - 4.6/4934=2 HG3 GLN 55 - HB2 GLU 49 lone 4 78 - 5 - 4.7/4934=2 HB2 GLU 25 - HB2 GLU 49 lone 1 76 - 2 - Peak 2462 from cnoeabs.peaks (1.93, 1.84, 35.84 ppm; 3.13 A): 1 out of 10 assignments used, quality = 1.00: * HG3 GLU 49 + HB2 GLU 49 OK 100 100 - 100 - 3.0=100 HG3 PRO 84 - HB2 GLU 49 OK 38 78 - 49 - 2468/1.8=5, 1.8/2461=4...(25) HB VAL 47 - HB2 GLU 49 OK 31 100 - 31 - 2.1/4964=4, 2468/1.8=4...(12) HG3 PRO 81 - HB2 GLU 49 OK 27 99 - 28 - 2468/1.8=3, ~5296=2...(15) QE MET 48 - HB2 GLU 49 OK 24 100 - 24 - 3962/3.7=8, 2468/1.8=3...(7) HB2 GLU 33 - HB2 GLU 49 OK 22 90 - 25 - 2044/3.7=6, 4.1/2457=5...(8) HD2 LYS 78 - HB2 GLU 49 OK 21 99 - 21 - 2468/1.8=3, 3340=2...(9) HB3 GLU 22 - HB2 GLU 49 OK 19 90 - 21 - 1562=3, 2468/1.8=2...(9) HB VAL 20 - HB2 GLU 49 lone 6 97 - 7 - HB2 LEU 76 - HB2 GLU 49 lone 5 85 - 6 - Peak 2463 from cnoeabs.peaks (9.43, 2.02, 35.84 ppm; 4.11 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 49 + HB3 GLU 49 OK 100 100 - 100 - 3.7=100 H GLU 33 + HB3 GLU 49 OK 56 97 - 58 - 2457/1.8=13, 2451/3.0=11...(13) Peak 2464 from cnoeabs.peaks (5.67, 2.02, 35.84 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 49 + HB3 GLU 49 OK 100 100 - 100 - 3.0=100 Peak 2465 from cnoeabs.peaks (1.84, 2.02, 35.84 ppm; 2.99 A): 2 out of 9 assignments used, quality = 1.00: * HB2 GLU 49 + HB3 GLU 49 OK 100 100 - 100 - 1.8=100 HB3 PRO 84 + HB3 GLU 49 OK 49 98 - 50 - 2471/3.0=4, ~4972=4...(22) HB ILE 35 - HB3 GLU 49 OK 44 63 - 71 - 3.2/4970=12, 3.0/4968=10...(32) HG2 PRO 81 - HB3 GLU 49 OK 21 92 - 23 - 1.8/2468=3, 2453/3.0=2...(11) HB2 GLU 22 - HB3 GLU 49 OK 18 100 - 18 - 1.8/2468=2, 2477/3.0=2...(8) HB3 LYS 78 - HB3 GLU 49 OK 17 71 - 24 - 2477/3.0=2, 2471/3.0=2...(8) HB3 GLU 37 - HB3 GLU 49 lone 7 90 - 8 - HB VAL 66 - HB3 GLU 49 lone 5 100 - 5 - HG3 PRO 19 - HB3 GLU 49 lone 4 78 - 6 - Peak 2466 from cnoeabs.peaks (2.02, 2.02, 35.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 49 + HB3 GLU 49 OK 100 100 - 100 Peak 2467 from cnoeabs.peaks (2.02, 2.02, 35.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB3 GLU 49 + HB3 GLU 49 OK 100 100 - 100 Reference assignment not found: HG2 GLU 49 - HB3 GLU 49 Peak 2468 from cnoeabs.peaks (1.93, 2.02, 35.84 ppm; 3.07 A): 1 out of 10 assignments used, quality = 1.00: * HG3 GLU 49 + HB3 GLU 49 OK 100 100 - 100 - 3.0=100 HG3 PRO 84 - HB3 GLU 49 OK 38 78 - 49 - 2.3/2465=6, 2462/1.8=4...(26) HB VAL 47 - HB3 GLU 49 OK 31 100 - 31 - 2.1/4969=4, 2462/1.8=3...(14) HB2 GLU 33 - HB3 GLU 49 OK 23 90 - 26 - 2044/3.7=6, 4.1/2463=4...(9) HG3 PRO 81 - HB3 GLU 49 OK 23 99 - 23 - 2462/1.8=3, 1.8/2465=3...(11) QE MET 48 - HB3 GLU 49 OK 23 100 - 23 - 3962/3.7=7, 2462/1.8=3...(7) HD2 LYS 78 - HB3 GLU 49 OK 21 99 - 21 - 3340/1.8=3, 2474/3.0=2...(6) HB3 GLU 22 - HB3 GLU 49 OK 17 90 - 18 - 1.8/2465=2, 2462/1.8=2...(6) HB VAL 20 - HB3 GLU 49 lone 6 97 - 7 - 3.0/4150=1 HB2 LEU 76 - HB3 GLU 49 lone 5 85 - 5 - Peak 2469 from cnoeabs.peaks (9.43, 2.02, 38.62 ppm; 4.49 A): 2 out of 2 assignments used, quality = 0.98: * H GLU 49 + HG2 GLU 49 OK 93 100 - 93 - 5.0=73, 2475/1.8=20...(19) H GLU 33 + HG2 GLU 49 OK 64 97 - 66 - 2475/1.8=15, 2463/3.0=13...(16) Peak 2470 from cnoeabs.peaks (5.67, 2.02, 38.62 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 49 + HG2 GLU 49 OK 100 100 - 100 - 3.7=100 Peak 2471 from cnoeabs.peaks (1.84, 2.02, 38.62 ppm; 3.11 A): 2 out of 9 assignments used, quality = 1.00: * HB2 GLU 49 + HG2 GLU 49 OK 100 100 - 100 - 3.0=100 HB3 PRO 84 + HG2 GLU 49 OK 49 98 - 51 - 1.8/4972=9, 2477/1.8=6...(25) HB ILE 35 - HG2 GLU 49 OK 43 63 - 68 - 3.2/4978=11, 3.0/4976=10...(29) HB3 LYS 78 - HG2 GLU 49 OK 19 71 - 27 - 2477/1.8=3, ~3303=2...(13) HG2 PRO 81 - HG2 GLU 49 OK 18 92 - 19 - 2477/1.8=3, 1.8/2474=2...(6) HB2 GLU 22 - HG2 GLU 49 OK 17 100 - 17 - 2477/1.8=2, 1.8/2474=2...(5) HB3 GLU 37 - HG2 GLU 49 lone 7 90 - 7 - HB VAL 66 - HG2 GLU 49 lone 5 100 - 5 - 2.1/4976=1 HG3 PRO 19 - HG2 GLU 49 lone 5 78 - 6 - Peak 2472 from cnoeabs.peaks (2.02, 2.02, 38.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG2 GLU 49 + HG2 GLU 49 OK 100 100 - 100 Reference assignment not found: HB3 GLU 49 - HG2 GLU 49 Peak 2473 from cnoeabs.peaks (2.02, 2.02, 38.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 49 + HG2 GLU 49 OK 100 100 - 100 Peak 2474 from cnoeabs.peaks (1.93, 2.02, 38.62 ppm; 2.79 A): 1 out of 10 assignments used, quality = 1.00: * HG3 GLU 49 + HG2 GLU 49 OK 100 100 - 100 - 1.8=100 HG3 PRO 84 - HG2 GLU 49 OK 31 78 - 39 - 2.3/4972=6, 2.3/2471=5...(19) HB VAL 47 - HG2 GLU 49 OK 22 100 - 23 - 2.1/4977=3, 4838/4976=2...(13) HB2 GLU 33 - HG2 GLU 49 OK 19 90 - 21 - 4.1/2469=4, 2044/5.0=3...(8) HD2 LYS 78 - HG2 GLU 49 OK 17 99 - 17 - 3340/3.0=2, 2468/3.0=1...(4) QE MET 48 - HG2 GLU 49 OK 16 100 - 16 - 3962/5.0=4, 2468/3.0=2...(4) HG3 PRO 81 - HG2 GLU 49 OK 16 99 - 16 - 1.8/2471=2, 2462/3.0=2...(5) HB3 GLU 22 - HG2 GLU 49 OK 12 90 - 13 - 1.8/2471=2, 2462/3.0=1...(4) HB VAL 20 - HG2 GLU 49 lone 5 97 - 5 - HB2 LEU 76 - HG2 GLU 49 lone 3 85 - 4 - Peak 2475 from cnoeabs.peaks (9.43, 1.93, 38.62 ppm; 4.82 A): 2 out of 2 assignments used, quality = 0.99: * H GLU 49 + HG3 GLU 49 OK 98 100 - 98 - 5.0=90, 2469/1.8=26...(23) H GLU 33 + HG3 GLU 49 OK 71 97 - 74 - 2469/1.8=18, 2463/3.0=14...(23) Peak 2476 from cnoeabs.peaks (5.67, 1.93, 38.62 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 49 + HG3 GLU 49 OK 100 100 - 100 - 3.7=100 Peak 2477 from cnoeabs.peaks (1.84, 1.93, 38.62 ppm; 3.21 A): 2 out of 9 assignments used, quality = 1.00: * HB2 GLU 49 + HG3 GLU 49 OK 100 100 - 100 - 3.0=100 HB3 PRO 84 + HG3 GLU 49 OK 48 98 - 49 - ~4972=7, 2471/1.8=7...(23) HB ILE 35 - HG3 GLU 49 OK 44 63 - 70 - 3.2/4982=10, ~4976=8...(29) HG2 PRO 81 - HG3 GLU 49 OK 22 92 - 24 - 2471/1.8=2, 3488=2...(11) HB3 LYS 78 - HG3 GLU 49 OK 21 71 - 30 - 1.8/3303=4, 3313=4...(10) HB2 GLU 22 - HG3 GLU 49 OK 18 100 - 18 - 2471/1.8=2, 1557=2...(5) HB3 GLU 37 - HG3 GLU 49 lone 7 90 - 8 - HB VAL 66 - HG3 GLU 49 lone 6 100 - 6 - ~4976=1 HG3 PRO 19 - HG3 GLU 49 lone 5 78 - 7 - Peak 2478 from cnoeabs.peaks (2.02, 1.93, 38.62 ppm; 2.77 A): 2 out of 9 assignments used, quality = 1.00: HG2 GLU 49 + HG3 GLU 49 OK 100 100 - 100 - 1.8=100 * HB3 GLU 49 + HG3 GLU 49 OK 88 100 - 88 - 3.0=82, 4.3/3967=6...(9) HG2 PRO 84 - HG3 GLU 49 OK 27 78 - 34 - 2.3/4983=4, ~4972=4...(16) HB2 LEU 34 - HG3 GLU 49 OK 17 76 - 22 - 1.8/6035=4, 4.0/4940=2...(10) HB2 LYS 78 - HG3 GLU 49 OK 16 73 - 22 - 3303=3, 1.8/3313=3...(10) HB2 LEU 23 - HG3 GLU 49 OK 12 100 - 12 - ~1594=1, ~4975=1, 2460/3.0=1 HB2 GLN 55 - HG3 GLU 49 lone 4 85 - 5 - 4.6/4941=2 HG3 GLN 55 - HG3 GLU 49 lone 4 83 - 5 - 4.7/4941=2 HB2 GLU 25 - HG3 GLU 49 lone 1 71 - 1 - Peak 2479 from cnoeabs.peaks (2.02, 1.93, 38.62 ppm; 2.77 A): 2 out of 10 assignments used, quality = 1.00: * HG2 GLU 49 + HG3 GLU 49 OK 100 100 - 100 - 1.8=100 HB3 GLU 49 + HG3 GLU 49 OK 88 100 - 88 - 3.0=82, 4.3/3967=6...(9) HG2 PRO 84 - HG3 GLU 49 OK 28 83 - 34 - 2.3/4983=4, ~4972=4...(16) HB2 LEU 34 - HG3 GLU 49 OK 18 81 - 22 - 1.8/6035=4, 4.0/4940=2...(10) HB2 LYS 78 - HG3 GLU 49 OK 17 78 - 22 - 3303=3, 1.8/3313=3...(10) HB2 LEU 23 - HG3 GLU 49 OK 12 100 - 12 - ~1594=1, ~4975=1, 2460/3.0=1 HE3 LYS 68 - HG3 GLU 49 poor 7 60 - 12 - 3.7/4980=2, 3.7/4981=2 HB2 GLN 55 - HG3 GLU 49 lone 4 81 - 5 - 4.6/4941=2 HG3 GLN 55 - HG3 GLU 49 lone 4 78 - 5 - 4.7/4941=2 HB2 GLU 25 - HG3 GLU 49 lone 1 76 - 1 - Peak 2480 from cnoeabs.peaks (1.93, 1.93, 38.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 49 + HG3 GLU 49 OK 100 100 - 100 Peak 2481 from cnoeabs.peaks (9.16, 4.75, 58.55 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 50 + HA VAL 50 OK 100 100 - 100 - 3.0=100 H ASP 53 + HA VAL 50 OK 72 99 - 74 - 2496/3.2=18, 216/3.6=17...(15) HE ARG 27 - HA VAL 50 OK 25 65 - 38 - ~5016=6, 2496/3.2=6...(9) Peak 2482 from cnoeabs.peaks (4.75, 4.75, 58.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 50 + HA VAL 50 OK 100 100 - 100 Peak 2483 from cnoeabs.peaks (1.32, 4.75, 58.55 ppm; 5.88 A): 3 out of 8 assignments used, quality = 1.00: * HB VAL 50 + HA VAL 50 OK 100 100 - 100 - 3.0=100 HG3 LYS 31 + HA VAL 50 OK 49 71 - 69 - 4.6/6125=27, ~4604=22...(17) HB2 LYS 26 + HA VAL 50 OK 46 90 - 51 - 2498/3.2=8, 2493/3.2=7...(18) HG3 ARG 45 - HA VAL 50 OK 18 99 - 18 - 729/3.0=2, 2493/3.2=2...(6) QB ALA 60 - HA VAL 50 OK 13 92 - 14 - 729/3.0=2, 2493/3.2=1...(8) HG3 LYS 91 - HA VAL 50 OK 11 68 - 16 - 218/3.6=2, 2498/3.2=1...(4) HG2 LYS 91 - HA VAL 50 OK 11 68 - 16 - 218/3.6=2, 2498/3.2=1...(4) QB ALA 86 - HA VAL 50 lone 8 90 - 8 - Peak 2484 from cnoeabs.peaks (0.70, 4.75, 58.55 ppm; 6.20 A): 3 out of 3 assignments used, quality = 1.00: * QG1 VAL 50 + HA VAL 50 OK 100 100 - 100 - 3.2=100 HG3 LYS 64 + HA VAL 50 OK 51 98 - 52 - 2489/3.0=8, 730/3.0=7...(16) QD2 LEU 76 + HA VAL 50 OK 46 85 - 54 - 2499/3.2=8, 219/3.6=8...(17) Peak 2485 from cnoeabs.peaks (0.26, 4.75, 58.55 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 50 + HA VAL 50 OK 100 100 - 100 - 3.2=100 Peak 2486 from cnoeabs.peaks (9.16, 1.32, 35.93 ppm; 4.36 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 50 + HB VAL 50 OK 100 100 - 100 - 4.0=100 H ASP 53 + HB VAL 50 OK 50 99 - 51 - 2496/2.1=14, 2491/2.1=13...(11) HE ARG 27 - HB VAL 50 OK 17 65 - 26 - 4601/5031=5, 2496/2.1=4...(8) Peak 2487 from cnoeabs.peaks (4.75, 1.32, 35.93 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 50 + HB VAL 50 OK 100 100 - 100 - 3.0=100 Peak 2488 from cnoeabs.peaks (1.32, 1.32, 35.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 50 + HB VAL 50 OK 100 100 - 100 Peak 2489 from cnoeabs.peaks (0.70, 1.32, 35.93 ppm; 3.09 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 50 + HB VAL 50 OK 100 100 - 100 - 2.1=100 QD2 LEU 76 - HB VAL 50 OK 22 85 - 26 - 2499/2.1=6, 730/4.0=2...(13) HG3 LYS 64 - HB VAL 50 OK 22 98 - 22 - 2499/2.1=5, 730/4.0=3...(10) Peak 2490 from cnoeabs.peaks (0.26, 1.32, 35.93 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 50 + HB VAL 50 OK 100 100 - 100 - 2.1=100 Peak 2491 from cnoeabs.peaks (9.16, 0.70, 18.31 ppm; 3.15 A): 3 out of 3 assignments used, quality = 0.85: * H VAL 50 + QG1 VAL 50 OK 74 100 - 74 - 4.0=48, 729/2.1=15...(13) H ASP 53 + QG1 VAL 50 OK 33 99 - 34 - 2496/2.1=7, 2486/2.1=5...(12) HE ARG 27 + QG1 VAL 50 OK 10 65 - 16 - 2.9/5016=3, 4601/5036=3...(6) Peak 2492 from cnoeabs.peaks (4.75, 0.70, 18.31 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 50 + QG1 VAL 50 OK 100 100 - 100 - 3.2=100 Peak 2493 from cnoeabs.peaks (1.32, 0.70, 18.31 ppm; 2.97 A): 1 out of 8 assignments used, quality = 1.00: * HB VAL 50 + QG1 VAL 50 OK 100 100 - 100 - 2.1=100 HB2 LYS 26 - QG1 VAL 50 OK 22 90 - 24 - 2498/2.1=5, 1.8/5025=3...(12) HG3 LYS 31 - QG1 VAL 50 OK 16 71 - 22 - ~4604=5, 2498/2.1=4...(8) HG3 ARG 45 - QG1 VAL 50 lone 6 99 - 6 - 2498/2.1=1 QB ALA 60 - QG1 VAL 50 lone 5 92 - 5 - HG3 LYS 91 - QG1 VAL 50 lone 3 68 - 5 - HG2 LYS 91 - QG1 VAL 50 lone 3 68 - 5 - QB ALA 86 - QG1 VAL 50 lone 2 90 - 2 - Peak 2494 from cnoeabs.peaks (0.70, 0.70, 18.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 50 + QG1 VAL 50 OK 100 100 - 100 Peak 2495 from cnoeabs.peaks (0.26, 0.70, 18.31 ppm; 2.78 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 50 + QG1 VAL 50 OK 100 100 - 100 - 2.1=100 Peak 2496 from cnoeabs.peaks (9.16, 0.26, 21.31 ppm; 4.38 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 50 + QG2 VAL 50 OK 100 100 - 100 - 4.0=100 H ASP 53 + QG2 VAL 50 OK 79 99 - 80 - 3.6/5116=19, 4.6/5114=16...(18) HE ARG 27 - QG2 VAL 50 OK 24 65 - 37 - 4601/5048=5, 2491/2.1=4...(15) Peak 2497 from cnoeabs.peaks (4.75, 0.26, 21.31 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 50 + QG2 VAL 50 OK 100 100 - 100 - 3.2=100 Peak 2498 from cnoeabs.peaks (1.32, 0.26, 21.31 ppm; 3.08 A): 1 out of 8 assignments used, quality = 1.00: * HB VAL 50 + QG2 VAL 50 OK 100 100 - 100 - 2.1=100 HB2 LYS 26 - QG2 VAL 50 OK 29 90 - 32 - 2493/2.1=5, 2.9/6039=3...(16) HG3 LYS 31 - QG2 VAL 50 OK 27 71 - 38 - 4.6/4602=11, 3.0/4604=7...(13) HG3 ARG 45 - QG2 VAL 50 lone 7 99 - 7 - 2493/2.1=1 QB ALA 60 - QG2 VAL 50 lone 5 92 - 5 - HG3 LYS 91 - QG2 VAL 50 lone 4 68 - 6 - HG2 LYS 91 - QG2 VAL 50 lone 4 68 - 6 - QB ALA 86 - QG2 VAL 50 lone 3 90 - 3 - Peak 2499 from cnoeabs.peaks (0.70, 0.26, 21.31 ppm; 2.90 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 50 + QG2 VAL 50 OK 100 100 - 100 - 2.1=100 QD2 LEU 76 - QG2 VAL 50 OK 24 85 - 28 - 2489/2.1=4, 730/4.0=2...(12) HG3 LYS 64 - QG2 VAL 50 OK 20 98 - 21 - 2489/2.1=4, 730/4.0=2...(9) Peak 2500 from cnoeabs.peaks (0.26, 0.26, 21.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 50 + QG2 VAL 50 OK 100 100 - 100 Peak 2501 from cnoeabs.peaks (8.06, 5.29, 53.99 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 51 + HA GLU 51 OK 100 100 - 100 - 3.0=100 H THR 83 - HA GLU 51 OK 23 97 - 23 - 2507/3.0=6, 2513/3.0=5...(8) Peak 2502 from cnoeabs.peaks (5.29, 5.29, 53.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 51 + HA GLU 51 OK 100 100 - 100 Peak 2503 from cnoeabs.peaks (1.97, 5.29, 53.99 ppm; 3.80 A): 1 out of 16 assignments used, quality = 1.00: * HB2 GLU 51 + HA GLU 51 OK 100 100 - 100 - 3.0=100 HB2 GLU 33 - HA GLU 51 OK 21 71 - 30 - 4.2/5084=4, 734/3.0=4...(17) HB2 LEU 34 - HA GLU 51 OK 20 65 - 31 - 3.1/5060=7, 4.0/5084=4...(11) HB2 LYS 78 - HA GLU 51 OK 20 68 - 30 - 3.0/5072=4, 2515/3.0=3...(12) HB2 LEU 76 - HA GLU 51 OK 18 78 - 23 - 3.1/5062=3, 734/3.0=3...(8) HG2 PRO 19 - HA GLU 51 OK 13 99 - 13 - 4373/5229=2, 2515/3.0=1...(4) HB2 PRO 19 - HA GLU 51 poor 10 96 - 10 - 4370/5229=1, 2515/3.0=1 HB2 GLN 58 - HA GLU 51 lone 9 99 - 9 - 4.6/5086=2 HB3 PRO 19 - HA GLU 51 lone 9 90 - 10 - 4370/5229=1 HE3 LYS 68 - HA GLU 51 lone 7 85 - 9 - 3.7/5058=1 HB3 PRO 81 - HA GLU 51 lone 6 100 - 6 - HG3 PRO 84 - HA GLU 51 lone 5 85 - 6 - HB2 GLU 77 - HA GLU 51 lone 5 98 - 5 - 223/3.6=1 HB3 GLU 22 - HA GLU 51 lone 4 71 - 6 - HG2 PRO 84 - HA GLU 51 lone 4 63 - 6 - HB2 GLU 25 - HA GLU 51 lone 2 71 - 2 - Peak 2504 from cnoeabs.peaks (1.68, 5.29, 53.99 ppm; 3.50 A): 1 out of 11 assignments used, quality = 1.00: * HB3 GLU 51 + HA GLU 51 OK 100 100 - 100 - 3.0=100 HB2 LEU 30 - HA GLU 51 OK 29 99 - 29 - 4581/5049=6, 735/3.0=5...(9) HB3 LYS 31 - HA GLU 51 OK 26 89 - 29 - 735/3.0=3, 3.0/5059=3...(11) HG2 LYS 78 - HA GLU 51 OK 23 87 - 26 - 3.7/5072=3, 224/3.6=3...(11) HD3 LYS 31 - HA GLU 51 OK 20 97 - 21 - 3.0/5059=3, 735/3.0=3...(8) HD2 LYS 31 - HA GLU 51 OK 20 96 - 21 - 3.0/5059=3, 735/3.0=3...(8) HB3 LYS 91 - HA GLU 51 OK 17 100 - 17 - 2510/3.0=2, 1.8/2505=2...(7) HB3 ARG 27 - HA GLU 51 OK 13 92 - 14 - 224/3.6=2, 6074/5108=1...(4) HB3 LEU 73 - HA GLU 51 lone 7 96 - 7 - 2510/3.0=1 HG3 ARG 28 - HA GLU 51 lone 5 81 - 6 - HG2 ARG 28 - HA GLU 51 lone 4 76 - 6 - Peak 2505 from cnoeabs.peaks (1.81, 5.29, 53.99 ppm; 3.43 A): 2 out of 13 assignments used, quality = 0.99: * HG2 GLU 51 + HA GLU 51 OK 92 100 - 92 - 3.9=69, 1.8/2526=17...(22) HG3 GLU 51 + HA GLU 51 OK 92 100 - 92 - 3.9=69, 1.8/2520=17...(22) HB2 LYS 31 - HA GLU 51 OK 23 81 - 28 - 1.8/2504=3, 4604/5049=3...(13) HB3 GLU 33 - HA GLU 51 OK 21 99 - 22 - 4.2/5084=3, 1.8/2503=3...(11) HG LEU 76 - HA GLU 51 OK 17 100 - 17 - 2.1/5062=3, ~219=2...(7) HB2 LYS 44 - HA GLU 51 OK 15 99 - 16 - 2.9/5058=2, 3.7/5059=2...(6) HD3 LYS 78 - HA GLU 51 OK 14 73 - 19 - 4.7/5072=2, 2.9/2504=2...(7) HB2 LYS 91 - HA GLU 51 OK 13 92 - 14 - 1.8/2504=2, 3710/3.0=1...(5) HB2 LYS 65 - HA GLU 51 lone 6 83 - 7 - 3.0/6053=2 HB2 MET 48 - HA GLU 51 lone 5 93 - 6 - HB2 ARG 28 - HA GLU 51 lone 5 81 - 6 - HB2 GLU 37 - HA GLU 51 lone 4 99 - 4 - HG3 GLU 37 - HA GLU 51 lone 4 83 - 5 - Peak 2506 from cnoeabs.peaks (1.81, 5.29, 53.99 ppm; 3.43 A): 2 out of 13 assignments used, quality = 0.99: * HG3 GLU 51 + HA GLU 51 OK 92 100 - 92 - 3.9=69, 1.8/2520=17...(22) HG2 GLU 51 + HA GLU 51 OK 92 100 - 92 - 3.9=69, 1.8/2526=17...(22) HB2 LYS 31 - HA GLU 51 OK 22 78 - 28 - 1.8/2504=3, 4604/5049=3...(13) HB3 GLU 33 - HA GLU 51 OK 21 99 - 22 - 4.2/5084=3, 1.8/2503=3...(11) HG LEU 76 - HA GLU 51 OK 17 100 - 17 - 2.1/5062=3, ~219=2...(7) HB2 LYS 44 - HA GLU 51 OK 15 99 - 16 - 2.9/5058=2, 3.7/5059=2...(6) HD3 LYS 78 - HA GLU 51 OK 13 71 - 19 - 4.7/5072=2, 2.9/2504=2...(7) HB2 LYS 91 - HA GLU 51 OK 12 90 - 14 - 1.8/2504=2, 3710/3.0=1...(5) HB2 LYS 65 - HA GLU 51 lone 6 81 - 7 - 3.0/6053=2 HB2 MET 48 - HA GLU 51 lone 5 92 - 6 - HB2 ARG 28 - HA GLU 51 lone 4 78 - 6 - HB2 GLU 37 - HA GLU 51 lone 4 99 - 4 - HG3 GLU 37 - HA GLU 51 lone 4 81 - 5 - Peak 2507 from cnoeabs.peaks (8.06, 1.97, 31.04 ppm; 3.64 A): 2 out of 2 assignments used, quality = 0.95: * H GLU 51 + HB2 GLU 51 OK 93 100 - 93 - 3.9=80, 2513/1.8=28...(10) H THR 83 + HB2 GLU 51 OK 23 97 - 23 - 2513/1.8=6, 2501/3.0=5...(8) Peak 2508 from cnoeabs.peaks (5.29, 1.97, 31.04 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 51 + HB2 GLU 51 OK 100 100 - 100 - 3.0=100 Peak 2509 from cnoeabs.peaks (1.97, 1.97, 31.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 51 + HB2 GLU 51 OK 100 100 - 100 Peak 2510 from cnoeabs.peaks (1.68, 1.97, 31.04 ppm; 2.83 A): 1 out of 11 assignments used, quality = 1.00: * HB3 GLU 51 + HB2 GLU 51 OK 100 100 - 100 - 1.8=100 HB3 LYS 31 - HB2 GLU 51 OK 17 89 - 19 - 1.8/2511=2, 2504/3.0=2 HG2 LYS 78 - HB2 GLU 51 OK 16 87 - 18 - 2504/3.0=2, ~3331=1...(4) HB2 LEU 30 - HB2 GLU 51 OK 15 99 - 15 - 4581/5065=3, 735/3.9=2...(5) HD3 LYS 31 - HB2 GLU 51 OK 13 97 - 13 - 2504/3.0=1, 735/3.9=1 HD2 LYS 31 - HB2 GLU 51 OK 12 96 - 13 - 2504/3.0=1, 735/3.9=1 HB3 LYS 91 - HB2 GLU 51 OK 12 100 - 12 - 2504/3.0=1, 1.8/2511=1...(4) HB3 LEU 73 - HB2 GLU 51 lone 7 96 - 7 - HB3 ARG 27 - HB2 GLU 51 lone 6 92 - 6 - HG3 ARG 28 - HB2 GLU 51 lone 4 81 - 4 - HG2 ARG 28 - HB2 GLU 51 lone 3 76 - 4 - Peak 2511 from cnoeabs.peaks (1.81, 1.97, 31.04 ppm; 2.94 A): 2 out of 13 assignments used, quality = 1.00: * HG2 GLU 51 + HB2 GLU 51 OK 99 100 - 99 - 3.0=97, 1.8/2527=9...(11) HG3 GLU 51 + HB2 GLU 51 OK 99 100 - 99 - 3.0=97, 1.8/2527=9...(11) HB2 LYS 31 - HB2 GLU 51 OK 17 81 - 21 - 1.8/2510=3, 4604/5065=2...(9) HB3 GLU 33 - HB2 GLU 51 OK 16 99 - 16 - 2518/1.8=2, 2506/3.0=1...(6) HG LEU 76 - HB2 GLU 51 OK 13 100 - 13 - 2518/1.8=1, ~5062=1, 2506/3.0=1 HB2 LYS 44 - HB2 GLU 51 OK 12 99 - 12 - 2518/1.8=1, ~5075=1 HB2 LYS 91 - HB2 GLU 51 OK 10 92 - 11 - 1.8/2510=2, 3710/1.8=2 HD3 LYS 78 - HB2 GLU 51 OK 10 73 - 14 - 2.9/2510=2, 3351/1.8=2, ~3341=1 HB2 LYS 65 - HB2 GLU 51 lone 4 83 - 5 - HB2 ARG 28 - HB2 GLU 51 lone 4 81 - 5 - HB2 MET 48 - HB2 GLU 51 lone 3 93 - 3 - HB2 GLU 37 - HB2 GLU 51 lone 3 99 - 3 - HG3 GLU 37 - HB2 GLU 51 lone 3 83 - 3 - Peak 2512 from cnoeabs.peaks (1.81, 1.97, 31.04 ppm; 2.94 A): 2 out of 13 assignments used, quality = 1.00: * HG3 GLU 51 + HB2 GLU 51 OK 99 100 - 99 - 3.0=97, 1.8/2527=9...(11) HG2 GLU 51 + HB2 GLU 51 OK 99 100 - 99 - 3.0=97, 1.8/2527=9...(11) HB2 LYS 31 - HB2 GLU 51 OK 16 78 - 21 - 1.8/2510=3, 4604/5065=2...(9) HB3 GLU 33 - HB2 GLU 51 OK 16 99 - 16 - 2518/1.8=2, 2506/3.0=1...(6) HG LEU 76 - HB2 GLU 51 OK 13 100 - 13 - 2518/1.8=1, ~5062=1, 2506/3.0=1 HB2 LYS 44 - HB2 GLU 51 OK 12 99 - 12 - 2518/1.8=1, ~5075=1 HB2 LYS 91 - HB2 GLU 51 OK 10 90 - 11 - 1.8/2510=2, 3710/1.8=2 HD3 LYS 78 - HB2 GLU 51 poor 10 71 - 14 - 2.9/2510=2, 3351/1.8=2, ~3341=1 HB2 LYS 65 - HB2 GLU 51 lone 4 81 - 5 - HB2 ARG 28 - HB2 GLU 51 lone 4 78 - 5 - HB2 MET 48 - HB2 GLU 51 lone 3 92 - 3 - HB2 GLU 37 - HB2 GLU 51 lone 3 99 - 3 - HG3 GLU 37 - HB2 GLU 51 lone 2 81 - 3 - Peak 2513 from cnoeabs.peaks (8.06, 1.68, 31.04 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.98: * H GLU 51 + HB3 GLU 51 OK 98 100 - 98 - 3.9=92, 2507/1.8=32...(11) H THR 83 - HB3 GLU 51 OK 22 97 - 22 - 2507/1.8=8, 2501/3.0=5...(7) Peak 2514 from cnoeabs.peaks (5.29, 1.68, 31.04 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 51 + HB3 GLU 51 OK 100 100 - 100 - 3.0=100 Peak 2515 from cnoeabs.peaks (1.97, 1.68, 31.04 ppm; 2.89 A): 1 out of 16 assignments used, quality = 1.00: * HB2 GLU 51 + HB3 GLU 51 OK 100 100 - 100 - 1.8=100 HB2 LYS 78 - HB3 GLU 51 OK 15 68 - 22 - 1.8/3311=2, 2.8/3331=2...(9) HB2 GLU 33 - HB3 GLU 51 OK 12 71 - 18 - 3.0/4666=2, 1.8/2518=2...(7) HB2 LEU 34 - HB3 GLU 51 OK 11 65 - 16 - 3.1/5067=3, ~5064=2...(5) HB2 LEU 76 - HB3 GLU 51 poor 10 78 - 13 - 2503/3.0=1, 734/3.9=1 HG2 PRO 19 - HB3 GLU 51 lone 5 99 - 6 - HB2 PRO 19 - HB3 GLU 51 lone 5 96 - 6 - HB3 PRO 19 - HB3 GLU 51 lone 5 90 - 5 - HE3 LYS 68 - HB3 GLU 51 lone 4 85 - 5 - HB2 GLN 58 - HB3 GLU 51 lone 4 99 - 4 - HB2 GLU 77 - HB3 GLU 51 lone 4 98 - 4 - HB3 PRO 81 - HB3 GLU 51 lone 3 100 - 3 - HG3 PRO 84 - HB3 GLU 51 lone 3 85 - 4 - HG2 PRO 84 - HB3 GLU 51 lone 2 63 - 3 - HB3 GLU 22 - HB3 GLU 51 lone 1 71 - 2 - HB2 GLU 25 - HB3 GLU 51 lone 1 71 - 1 - Peak 2516 from cnoeabs.peaks (1.68, 1.68, 31.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 51 + HB3 GLU 51 OK 100 100 - 100 Peak 2517 from cnoeabs.peaks (1.81, 1.68, 31.04 ppm; 3.01 A): 2 out of 13 assignments used, quality = 1.00: * HG2 GLU 51 + HB3 GLU 51 OK 100 100 - 100 - 3.0=100 HG3 GLU 51 + HB3 GLU 51 OK 100 100 - 100 - 3.0=100 HB3 GLU 33 - HB3 GLU 51 OK 17 99 - 18 - 1.8/2515=2, 3.0/4666=2...(6) HB2 LYS 31 - HB3 GLU 51 OK 17 81 - 21 - 2511/1.8=2, 4604/5068=2...(9) HD3 LYS 78 - HB3 GLU 51 OK 14 73 - 20 - 1.8/3341=2, 3351=2...(7) HB2 LYS 44 - HB3 GLU 51 OK 14 99 - 14 - 3.7/5066=1, 2512/1.8=1...(6) HG LEU 76 - HB3 GLU 51 OK 13 100 - 13 - 2512/1.8=2, 3.0/2515=1...(4) HB2 LYS 91 - HB3 GLU 51 OK 13 92 - 14 - 3710=2, 2511/1.8=1, ~2510=1 HB2 ARG 28 - HB3 GLU 51 lone 8 81 - 10 - 4.6/5089=3, 4.0/5088=3 HB2 LYS 65 - HB3 GLU 51 lone 5 83 - 6 - HB2 MET 48 - HB3 GLU 51 lone 4 93 - 4 - HB2 GLU 37 - HB3 GLU 51 lone 3 99 - 3 - HG3 GLU 37 - HB3 GLU 51 lone 3 83 - 3 - Peak 2518 from cnoeabs.peaks (1.81, 1.68, 31.04 ppm; 3.01 A): 2 out of 13 assignments used, quality = 1.00: * HG3 GLU 51 + HB3 GLU 51 OK 100 100 - 100 - 3.0=100 HG2 GLU 51 + HB3 GLU 51 OK 100 100 - 100 - 3.0=100 HB3 GLU 33 - HB3 GLU 51 OK 17 99 - 18 - 1.8/2515=2, 3.0/4666=2...(6) HB2 LYS 31 - HB3 GLU 51 OK 16 78 - 21 - 2511/1.8=2, 4604/5068=2...(9) HD3 LYS 78 - HB3 GLU 51 OK 14 71 - 20 - 1.8/3341=2, 3351=2...(7) HB2 LYS 44 - HB3 GLU 51 OK 14 99 - 14 - 3.7/5066=1, 2512/1.8=1...(6) HG LEU 76 - HB3 GLU 51 OK 13 100 - 13 - 2512/1.8=2, 3.0/2515=1...(4) HB2 LYS 91 - HB3 GLU 51 OK 12 90 - 14 - 3710=2, 2511/1.8=1, ~2510=1 HB2 ARG 28 - HB3 GLU 51 lone 8 78 - 10 - 4.6/5089=3, 4.0/5088=3 HB2 LYS 65 - HB3 GLU 51 lone 4 81 - 6 - HB2 MET 48 - HB3 GLU 51 lone 4 92 - 4 - HB2 GLU 37 - HB3 GLU 51 lone 3 99 - 3 - HG3 GLU 37 - HB3 GLU 51 lone 3 81 - 3 - Peak 2519 from cnoeabs.peaks (8.06, 1.81, 36.41 ppm; 3.89 A): 2 out of 4 assignments used, quality = 0.98: * H GLU 51 + HG2 GLU 51 OK 88 100 - 88 - 4.9=50, 2507/3.0=25...(12) H GLU 51 + HG3 GLU 51 OK 88 100 - 88 - 4.9=50, 2507/3.0=25...(12) H THR 83 - HG2 GLU 51 OK 19 97 - 19 - 2507/3.0=6, 2513/3.0=6 H THR 83 - HG3 GLU 51 OK 19 97 - 19 - 2507/3.0=6, 2513/3.0=6 Peak 2520 from cnoeabs.peaks (5.29, 1.81, 36.41 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 51 + HG2 GLU 51 OK 95 100 - 95 - 3.9=80, 2506/1.8=11...(23) HA GLU 51 + HG3 GLU 51 OK 95 100 - 95 - 3.9=80, 2506/1.8=11...(23) Peak 2521 from cnoeabs.peaks (1.97, 1.81, 36.41 ppm; 2.96 A): 2 out of 32 assignments used, quality = 1.00: * HB2 GLU 51 + HG2 GLU 51 OK 99 100 - 99 - 3.0=99 HB2 GLU 51 + HG3 GLU 51 OK 99 100 - 99 - 3.0=99 HB2 GLU 33 - HG2 GLU 51 OK 14 71 - 21 - 2047=2, 2047/1.8=2...(10) HB2 GLU 33 - HG3 GLU 51 OK 14 71 - 21 - 2047=2, 2047/1.8=2...(10) HB2 LEU 76 - HG2 GLU 51 OK 13 78 - 17 - 3.1/3254=1, 3226=1...(8) HB2 LEU 76 - HG3 GLU 51 OK 13 78 - 17 - 3.1/3254=1, 3226=1...(8) HB2 LYS 78 - HG2 GLU 51 OK 13 68 - 19 - 2515/3.0=2, 1.8/3314=1...(5) HB2 LYS 78 - HG3 GLU 51 OK 13 68 - 19 - 2515/3.0=2, 2.8/2522=1...(5) HB2 LEU 34 - HG2 GLU 51 poor 8 65 - 13 - 3.1/5083=2, ~5067=1...(7) HB2 LEU 34 - HG3 GLU 51 poor 8 65 - 13 - 3.1/5083=2, ~5067=1...(7) HG2 PRO 19 - HG2 GLU 51 lone 4 99 - 4 - HG2 PRO 19 - HG3 GLU 51 lone 4 99 - 4 - HB2 GLN 58 - HG2 GLU 51 lone 4 99 - 4 - HB2 GLN 58 - HG3 GLU 51 lone 4 99 - 4 - HB2 PRO 19 - HG2 GLU 51 lone 4 96 - 4 - HB2 PRO 19 - HG3 GLU 51 lone 4 96 - 4 - HB3 PRO 19 - HG2 GLU 51 lone 3 90 - 4 - HB3 PRO 19 - HG3 GLU 51 lone 3 90 - 4 - HB2 GLU 77 - HG2 GLU 51 lone 3 98 - 3 - HB2 GLU 77 - HG3 GLU 51 lone 3 98 - 3 - HG3 PRO 84 - HG2 GLU 51 lone 3 85 - 3 - HG3 PRO 84 - HG3 GLU 51 lone 3 85 - 3 - HE3 LYS 68 - HG3 GLU 51 lone 3 85 - 3 - HE3 LYS 68 - HG2 GLU 51 lone 3 85 - 3 - HB3 PRO 81 - HG2 GLU 51 lone 3 100 - 3 - HB3 PRO 81 - HG3 GLU 51 lone 3 100 - 3 - HG2 PRO 84 - HG2 GLU 51 lone 2 63 - 3 - HG2 PRO 84 - HG3 GLU 51 lone 2 63 - 3 - HB3 GLU 22 - HG2 GLU 51 lone 1 71 - 2 - HB3 GLU 22 - HG3 GLU 51 lone 1 71 - 2 - HB2 GLU 25 - HG2 GLU 51 lone 1 71 - 1 - HB2 GLU 25 - HG3 GLU 51 lone 1 71 - 1 - Peak 2522 from cnoeabs.peaks (1.68, 1.81, 36.41 ppm; 3.11 A): 2 out of 22 assignments used, quality = 1.00: * HB3 GLU 51 + HG2 GLU 51 OK 100 100 - 100 - 3.0=100 HB3 GLU 51 + HG3 GLU 51 OK 100 100 - 100 - 3.0=100 HG2 LYS 78 - HG2 GLU 51 OK 19 87 - 22 - 2510/3.0=2, 3324/1.8=1...(5) HG2 LYS 78 - HG3 GLU 51 OK 19 87 - 22 - 2510/3.0=2, 3324/1.8=1...(5) HB3 LYS 31 - HG2 GLU 51 OK 18 89 - 21 - 2510/3.0=2, 2504/3.9=2...(5) HB3 LYS 31 - HG3 GLU 51 OK 18 89 - 21 - 2510/3.0=2, 2504/3.9=2...(5) HB3 LYS 91 - HG2 GLU 51 OK 15 100 - 15 - 3719=2, 3719/1.8=2...(4) HB3 LYS 91 - HG3 GLU 51 OK 15 100 - 15 - 3719=2, 3719/1.8=2...(4) HD3 LYS 31 - HG2 GLU 51 OK 14 97 - 14 - 2510/3.0=2, 2504/3.9=1 HD3 LYS 31 - HG3 GLU 51 OK 14 97 - 14 - 2510/3.0=2, 2504/3.9=1 HD2 LYS 31 - HG2 GLU 51 OK 14 96 - 14 - 2510/3.0=2, 2504/3.9=1 HD2 LYS 31 - HG3 GLU 51 OK 14 96 - 14 - 2510/3.0=2, 2504/3.9=1 HB2 LEU 30 - HG2 GLU 51 OK 13 99 - 13 - 2510/3.0=2, 735/4.9=2 HB2 LEU 30 - HG3 GLU 51 OK 13 99 - 13 - 2510/3.0=2, 735/4.9=2 HB3 ARG 27 - HG2 GLU 51 lone 5 92 - 6 - HB3 ARG 27 - HG3 GLU 51 lone 5 92 - 6 - HB3 LEU 73 - HG2 GLU 51 lone 5 96 - 5 - HB3 LEU 73 - HG3 GLU 51 lone 5 96 - 5 - HG3 ARG 28 - HG2 GLU 51 lone 5 81 - 6 - HG3 ARG 28 - HG3 GLU 51 lone 4 81 - 5 - HG2 ARG 28 - HG2 GLU 51 lone 4 76 - 5 - HG2 ARG 28 - HG3 GLU 51 lone 4 76 - 5 - Peak 2523 from cnoeabs.peaks (1.81, 1.81, 36.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 51 + HG2 GLU 51 OK 100 100 - 100 HG3 GLU 51 + HG3 GLU 51 OK 100 100 - 100 Peak 2524 from cnoeabs.peaks (1.81, 1.81, 36.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 51 + HG3 GLU 51 OK 100 100 - 100 HG2 GLU 51 + HG2 GLU 51 OK 100 100 - 100 Reference assignment not found: HG3 GLU 51 - HG2 GLU 51 Peak 2525 from cnoeabs.peaks (8.06, 1.81, 36.41 ppm; 3.89 A): 2 out of 4 assignments used, quality = 0.98: H GLU 51 + HG2 GLU 51 OK 88 100 - 88 - 4.9=50, 2507/3.0=25...(12) * H GLU 51 + HG3 GLU 51 OK 88 100 - 88 - 4.9=50, 2507/3.0=25...(12) H THR 83 - HG2 GLU 51 OK 19 97 - 19 - 2507/3.0=6, 2513/3.0=6 H THR 83 - HG3 GLU 51 OK 19 97 - 19 - 2507/3.0=6, 2513/3.0=6 Peak 2526 from cnoeabs.peaks (5.29, 1.81, 36.41 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 51 + HG3 GLU 51 OK 95 100 - 95 - 3.9=80, 2506/1.8=11...(23) HA GLU 51 + HG2 GLU 51 OK 95 100 - 95 - 3.9=80, 2506/1.8=11...(23) Peak 2527 from cnoeabs.peaks (1.97, 1.81, 36.41 ppm; 2.96 A): 2 out of 32 assignments used, quality = 1.00: * HB2 GLU 51 + HG3 GLU 51 OK 99 100 - 99 - 3.0=99 HB2 GLU 51 + HG2 GLU 51 OK 99 100 - 99 - 3.0=99 HB2 GLU 33 - HG3 GLU 51 OK 14 71 - 21 - 2047=2, 2047/1.8=2...(10) HB2 GLU 33 - HG2 GLU 51 OK 14 71 - 21 - 2047=2, 2047/1.8=2...(10) HB2 LEU 76 - HG2 GLU 51 OK 13 78 - 17 - 3.1/3254=1, 3226=1...(8) HB2 LEU 76 - HG3 GLU 51 OK 13 78 - 17 - 3.1/3254=1, 3226=1...(8) HB2 LYS 78 - HG2 GLU 51 OK 12 68 - 18 - 2515/3.0=2, 2.8/2522=1...(5) HB2 LYS 78 - HG3 GLU 51 OK 12 68 - 18 - 2515/3.0=2, 2.8/2522=1...(5) HB2 LEU 34 - HG3 GLU 51 poor 8 65 - 13 - 3.1/5083=2, ~5067=1...(7) HB2 LEU 34 - HG2 GLU 51 poor 8 65 - 13 - 3.1/5083=2, ~5067=1...(7) HG2 PRO 19 - HG2 GLU 51 lone 4 99 - 4 - HG2 PRO 19 - HG3 GLU 51 lone 4 99 - 4 - HB2 GLN 58 - HG2 GLU 51 lone 4 99 - 4 - HB2 GLN 58 - HG3 GLU 51 lone 4 99 - 4 - HB2 PRO 19 - HG2 GLU 51 lone 4 96 - 4 - HB2 PRO 19 - HG3 GLU 51 lone 4 96 - 4 - HB3 PRO 19 - HG2 GLU 51 lone 3 90 - 4 - HB3 PRO 19 - HG3 GLU 51 lone 3 90 - 4 - HB2 GLU 77 - HG2 GLU 51 lone 3 98 - 3 - HB2 GLU 77 - HG3 GLU 51 lone 3 98 - 3 - HG3 PRO 84 - HG2 GLU 51 lone 3 85 - 3 - HG3 PRO 84 - HG3 GLU 51 lone 3 85 - 3 - HE3 LYS 68 - HG2 GLU 51 lone 3 85 - 3 - HE3 LYS 68 - HG3 GLU 51 lone 3 85 - 3 - HB3 PRO 81 - HG2 GLU 51 lone 3 100 - 3 - HB3 PRO 81 - HG3 GLU 51 lone 3 100 - 2 - HG2 PRO 84 - HG3 GLU 51 lone 2 63 - 3 - HG2 PRO 84 - HG2 GLU 51 lone 2 63 - 3 - HB3 GLU 22 - HG2 GLU 51 lone 1 71 - 2 - HB3 GLU 22 - HG3 GLU 51 lone 1 71 - 2 - HB2 GLU 25 - HG2 GLU 51 lone 1 71 - 1 - HB2 GLU 25 - HG3 GLU 51 lone 1 71 - 1 - Peak 2528 from cnoeabs.peaks (1.68, 1.81, 36.41 ppm; 3.11 A): 2 out of 22 assignments used, quality = 1.00: * HB3 GLU 51 + HG3 GLU 51 OK 100 100 - 100 - 3.0=100 HB3 GLU 51 + HG2 GLU 51 OK 100 100 - 100 - 3.0=100 HG2 LYS 78 - HG2 GLU 51 OK 19 87 - 22 - 2510/3.0=2, 3324/1.8=1...(5) HG2 LYS 78 - HG3 GLU 51 OK 19 87 - 22 - 2510/3.0=2, 3324/1.8=1...(4) HB3 LYS 31 - HG2 GLU 51 OK 18 89 - 21 - 2510/3.0=2, 2504/3.9=2...(5) HB3 LYS 31 - HG3 GLU 51 OK 18 89 - 21 - 2510/3.0=2, 2504/3.9=2...(4) HB3 LYS 91 - HG2 GLU 51 OK 15 100 - 15 - 3719=2, 3719/1.8=2...(4) HB3 LYS 91 - HG3 GLU 51 OK 15 100 - 15 - 3719=2, 3719/1.8=2...(4) HD3 LYS 31 - HG2 GLU 51 OK 14 97 - 14 - 2510/3.0=2, 2504/3.9=1 HD3 LYS 31 - HG3 GLU 51 OK 14 97 - 14 - 2510/3.0=2, 2504/3.9=1 HD2 LYS 31 - HG2 GLU 51 OK 14 96 - 14 - 2510/3.0=2, 2504/3.9=1 HD2 LYS 31 - HG3 GLU 51 OK 14 96 - 14 - 2510/3.0=2, 2504/3.9=1 HB2 LEU 30 - HG2 GLU 51 OK 13 99 - 13 - 2510/3.0=2, 735/4.9=2 HB2 LEU 30 - HG3 GLU 51 OK 13 99 - 13 - 2510/3.0=2, 735/4.9=2 HB3 ARG 27 - HG2 GLU 51 lone 5 92 - 6 - HB3 ARG 27 - HG3 GLU 51 lone 5 92 - 6 - HB3 LEU 73 - HG2 GLU 51 lone 5 96 - 5 - HB3 LEU 73 - HG3 GLU 51 lone 5 96 - 5 - HG3 ARG 28 - HG2 GLU 51 lone 4 81 - 5 - HG3 ARG 28 - HG3 GLU 51 lone 4 81 - 5 - HG2 ARG 28 - HG2 GLU 51 lone 4 76 - 5 - HG2 ARG 28 - HG3 GLU 51 lone 4 76 - 5 - Peak 2529 from cnoeabs.peaks (1.81, 1.81, 36.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 51 + HG3 GLU 51 OK 100 100 - 100 HG2 GLU 51 + HG2 GLU 51 OK 100 100 - 100 Reference assignment not found: HG2 GLU 51 - HG3 GLU 51 Peak 2530 from cnoeabs.peaks (1.81, 1.81, 36.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 51 + HG3 GLU 51 OK 100 100 - 100 HG2 GLU 51 + HG2 GLU 51 OK 100 100 - 100 Peak 2531 from cnoeabs.peaks (9.38, 4.27, 60.84 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 52 + HA VAL 52 OK 100 100 - 100 - 3.0=100 Peak 2532 from cnoeabs.peaks (4.27, 4.27, 60.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 52 + HA VAL 52 OK 100 100 - 100 Peak 2533 from cnoeabs.peaks (2.16, 4.27, 60.84 ppm; 4.00 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 52 + HA VAL 52 OK 100 100 - 100 - 3.0=100 HG2 GLN 55 + HA VAL 52 OK 62 100 - 62 - 4.9/5096=13, 740/3.0=12...(19) HB3 MET 21 - HA VAL 52 OK 17 96 - 18 - 740/3.0=3, 229/3.6=2...(9) Peak 2534 from cnoeabs.peaks (0.94, 4.27, 60.84 ppm; 2.88 A): 2 out of 2 assignments used, quality = 0.98: * QG1 VAL 52 + HA VAL 52 OK 86 100 - 86 - 3.2=73, 2.1/2547=12...(14) QG2 VAL 52 + HA VAL 52 OK 86 100 - 86 - 3.2=73, 2.1/2542=12...(14) Peak 2535 from cnoeabs.peaks (0.94, 4.27, 60.84 ppm; 2.88 A): 2 out of 3 assignments used, quality = 0.98: * QG2 VAL 52 + HA VAL 52 OK 86 100 - 86 - 3.2=73, 2.1/2542=12...(14) QG1 VAL 52 + HA VAL 52 OK 86 100 - 86 - 3.2=73, 2.1/2547=12...(14) QD2 LEU 23 - HA VAL 52 lone 5 68 - 7 - 4480/5116=2 Peak 2536 from cnoeabs.peaks (9.38, 2.16, 33.84 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 52 + HB VAL 52 OK 100 100 - 100 - 4.0=100 H VAL 52 + HG2 GLN 55 OK 66 98 - 67 - 6133/4.9=21, 740=17...(13) Peak 2537 from cnoeabs.peaks (4.27, 2.16, 33.84 ppm; 4.04 A): 2 out of 14 assignments used, quality = 1.00: * HA VAL 52 + HB VAL 52 OK 100 100 - 100 - 3.0=100 HA VAL 52 + HG2 GLN 55 OK 63 98 - 65 - 2533=17, 5096/4.9=13...(19) HA LYS 78 - HG2 GLN 55 OK 30 87 - 34 - ~5193=5, 2.9/5100=4...(12) HA LYS 78 - HB VAL 52 OK 27 92 - 30 - 739/4.0=5, ~5097=3...(13) HA LEU 85 - HB VAL 52 OK 10 96 - 10 - 228/4.4=2, 739/4.0=1 HA LEU 87 - HB VAL 52 poor 9 63 - 15 - 228/4.4=2, ~412=1...(5) HA LEU 87 - HG2 GLN 55 poor 7 58 - 11 - ~3990=2, 2.9/3989=1, 5179/4.9=1 HA ALA 86 - HB VAL 52 lone 5 83 - 6 - 3.6/3989=1 HA LEU 85 - HG2 GLN 55 lone 4 91 - 5 - HA3 GLY 39 - HB VAL 52 lone 3 100 - 3 - HA ALA 86 - HG2 GLN 55 lone 3 78 - 4 - 3.6/3989=1 HA ALA 89 - HB VAL 52 lone 3 85 - 3 - HA3 GLY 39 - HG2 GLN 55 lone 1 98 - 1 - HA ALA 89 - HG2 GLN 55 lone 1 80 - 2 - Peak 2538 from cnoeabs.peaks (2.16, 2.16, 33.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 52 + HB VAL 52 OK 100 100 - 100 HG2 GLN 55 + HG2 GLN 55 OK 97 97 - 100 Peak 2539 from cnoeabs.peaks (0.94, 2.16, 33.84 ppm; 2.88 A): 2 out of 4 assignments used, quality = 1.00: * QG1 VAL 52 + HB VAL 52 OK 100 100 - 100 - 2.1=100 QG2 VAL 52 + HB VAL 52 OK 100 100 - 100 - 2.1=100 QG1 VAL 52 - HG2 GLN 55 OK 41 98 - 42 - 2543=7, 3.2/2533=5...(17) QG2 VAL 52 - HG2 GLN 55 OK 41 97 - 42 - 2548=7, 3.2/2533=5...(17) Peak 2540 from cnoeabs.peaks (0.94, 2.16, 33.84 ppm; 2.88 A): 2 out of 6 assignments used, quality = 1.00: * QG2 VAL 52 + HB VAL 52 OK 100 100 - 100 - 2.1=100 QG1 VAL 52 + HB VAL 52 OK 100 100 - 100 - 2.1=100 QG2 VAL 52 - HG2 GLN 55 OK 42 98 - 43 - 2548=7, 3.2/2533=5...(17) QG1 VAL 52 - HG2 GLN 55 OK 41 97 - 43 - 2543=7, 3.2/2533=5...(17) QD2 LEU 23 - HG2 GLN 55 lone 5 63 - 8 - QD2 LEU 23 - HB VAL 52 lone 5 68 - 7 - 4480/5118=1 Peak 2541 from cnoeabs.peaks (9.38, 0.94, 22.15 ppm; 3.59 A): 2 out of 2 assignments used, quality = 0.99: * H VAL 52 + QG1 VAL 52 OK 93 100 - 93 - 4.0=72, 740/2.1=20...(17) H VAL 52 + QG2 VAL 52 OK 91 98 - 93 - 4.0=72, 740/2.1=20...(17) Peak 2542 from cnoeabs.peaks (4.27, 0.94, 22.15 ppm; 2.88 A): 2 out of 14 assignments used, quality = 0.98: * HA VAL 52 + QG1 VAL 52 OK 87 100 - 87 - 3.2=73, 2534/2.1=15...(14) HA VAL 52 + QG2 VAL 52 OK 85 98 - 87 - 3.2=73, 2534/2.1=15...(14) HA LYS 78 - QG1 VAL 52 OK 13 92 - 14 - 739/4.0=2, 2537/2.1=2...(6) HA LYS 78 - QG2 VAL 52 OK 12 87 - 14 - 739/4.0=2, 2537/2.1=2...(6) HA LEU 85 - QG1 VAL 52 lone 4 96 - 4 - HA LEU 85 - QG2 VAL 52 lone 4 91 - 4 - HA LEU 87 - QG1 VAL 52 lone 4 63 - 6 - HA LEU 87 - QG2 VAL 52 lone 4 58 - 6 - HA ALA 86 - QG1 VAL 52 lone 2 83 - 2 - HA ALA 86 - QG2 VAL 52 lone 2 78 - 2 - HA3 GLY 39 - QG1 VAL 52 lone 1 100 - 1 - HA3 GLY 39 - QG2 VAL 52 lone 1 98 - 1 - HA ALA 89 - QG1 VAL 52 lone 1 85 - 1 - HA ALA 89 - QG2 VAL 52 lone 1 80 - 1 - Peak 2543 from cnoeabs.peaks (2.16, 0.94, 22.15 ppm; 2.74 A): 2 out of 6 assignments used, quality = 1.00: * HB VAL 52 + QG1 VAL 52 OK 100 100 - 100 - 2.1=100 HB VAL 52 + QG2 VAL 52 OK 98 98 - 100 - 2.1=100 HG2 GLN 55 - QG1 VAL 52 OK 39 100 - 39 - 2539=6, 2533/3.2=4...(17) HG2 GLN 55 - QG2 VAL 52 OK 38 97 - 39 - 2539=6, 2533/3.2=4...(17) HB3 MET 21 - QG1 VAL 52 lone 8 96 - 9 - 2533/3.2=1 HB3 MET 21 - QG2 VAL 52 lone 8 91 - 9 - 2533/3.2=1 Peak 2544 from cnoeabs.peaks (0.94, 0.94, 22.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 52 + QG1 VAL 52 OK 100 100 - 100 QG2 VAL 52 + QG2 VAL 52 OK 97 97 - 100 Peak 2545 from cnoeabs.peaks (0.94, 0.94, 22.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: QG1 VAL 52 + QG1 VAL 52 OK 100 100 - 100 QG2 VAL 52 + QG2 VAL 52 OK 98 98 - 100 Reference assignment not found: QG2 VAL 52 - QG1 VAL 52 Peak 2546 from cnoeabs.peaks (9.38, 0.94, 22.04 ppm; 3.59 A): 2 out of 2 assignments used, quality = 0.99: * H VAL 52 + QG2 VAL 52 OK 93 100 - 93 - 4.0=72, 740/2.1=20...(16) H VAL 52 + QG1 VAL 52 OK 91 98 - 93 - 4.0=72, 740/2.1=20...(17) Peak 2547 from cnoeabs.peaks (4.27, 0.94, 22.04 ppm; 2.88 A): 2 out of 14 assignments used, quality = 0.98: * HA VAL 52 + QG2 VAL 52 OK 87 100 - 87 - 3.2=73, 2534/2.1=15...(14) HA VAL 52 + QG1 VAL 52 OK 85 98 - 87 - 3.2=73, 2534/2.1=15...(14) HA LYS 78 - QG2 VAL 52 OK 13 92 - 14 - 739/4.0=2, 2537/2.1=2...(6) HA LYS 78 - QG1 VAL 52 OK 12 87 - 14 - 739/4.0=2, 2537/2.1=2...(6) HA LEU 85 - QG2 VAL 52 lone 4 96 - 4 - HA LEU 85 - QG1 VAL 52 lone 4 91 - 4 - HA LEU 87 - QG2 VAL 52 lone 4 63 - 6 - HA LEU 87 - QG1 VAL 52 lone 4 58 - 6 - HA ALA 86 - QG2 VAL 52 lone 2 83 - 2 - HA ALA 86 - QG1 VAL 52 lone 2 78 - 2 - HA3 GLY 39 - QG2 VAL 52 lone 1 100 - 1 - HA3 GLY 39 - QG1 VAL 52 lone 1 98 - 1 - HA ALA 89 - QG2 VAL 52 lone 1 85 - 1 - HA ALA 89 - QG1 VAL 52 lone 1 80 - 1 - Peak 2548 from cnoeabs.peaks (2.16, 0.94, 22.04 ppm; 2.74 A): 2 out of 6 assignments used, quality = 1.00: * HB VAL 52 + QG2 VAL 52 OK 100 100 - 100 - 2.1=100 HB VAL 52 + QG1 VAL 52 OK 98 98 - 100 - 2.1=100 HG2 GLN 55 - QG2 VAL 52 OK 39 100 - 39 - 2539=6, 2533/3.2=4...(17) HG2 GLN 55 - QG1 VAL 52 OK 38 97 - 39 - 2539=6, 2533/3.2=4...(17) HB3 MET 21 - QG2 VAL 52 lone 9 96 - 9 - 2533/3.2=1 HB3 MET 21 - QG1 VAL 52 lone 8 91 - 9 - 2533/3.2=1 Peak 2549 from cnoeabs.peaks (0.94, 0.94, 22.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 52 + QG2 VAL 52 OK 100 100 - 100 QG1 VAL 52 + QG1 VAL 52 OK 98 98 - 100 Reference assignment not found: QG1 VAL 52 - QG2 VAL 52 Peak 2550 from cnoeabs.peaks (0.94, 0.94, 22.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 52 + QG2 VAL 52 OK 100 100 - 100 QG1 VAL 52 + QG1 VAL 52 OK 97 97 - 100 Peak 2551 from cnoeabs.peaks (9.15, 4.24, 54.76 ppm; 2.90 A): 1 out of 12 assignments used, quality = 0.98: * H ASP 53 + HA ASP 53 OK 98 100 - 98 - 2.9=97, 232/3.6=12...(7) H ASP 53 - HA LEU 30 OK 26 86 - 30 - 744=9, 5133/4.0=5...(9) H VAL 50 - HA ASP 53 OK 17 99 - 17 - 4.0/5003=3, 232/3.6=3...(8) H ASP 53 - HA LEU 87 OK 14 86 - 16 - 744=5, 3.6/6130=2...(5) H VAL 50 - HA LEU 30 OK 11 83 - 14 - 4.0/5003=5, 4990/3.0=2...(6) HE ARG 27 - HA ASP 53 lone 8 85 - 9 - 3977/4.8=2, ~4537=1...(5) H ASP 53 - HA LEU 85 lone 6 77 - 7 - 744=2 HE ARG 27 - HA LEU 30 lone 5 67 - 7 - 4592/4.0=2 H VAL 50 - HA LEU 87 lone 5 83 - 5 - 4.0/5003=2 HE ARG 27 - HA LEU 87 lone 1 67 - 2 - H VAL 50 - HA LEU 85 lone 1 74 - 2 - HE ARG 27 - HA LEU 85 lone 1 59 - 1 - Peak 2552 from cnoeabs.peaks (4.24, 4.24, 54.76 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA ASP 53 + HA ASP 53 OK 100 100 - 100 HA LEU 87 + HA LEU 87 OK 85 85 - 100 HA LEU 30 + HA LEU 30 OK 78 78 - 100 HA LEU 85 + HA LEU 85 OK 53 53 - 100 Peak 2553 from cnoeabs.peaks (2.90, 4.24, 54.76 ppm; 3.18 A): 1 out of 32 assignments used, quality = 1.00: * HB2 ASP 53 + HA ASP 53 OK 100 100 - 100 - 3.0=100 HB2 ASP 53 - HA LEU 30 OK 22 86 - 26 - 2556=6, 1.8/2560=5...(9) HB2 ASP 53 - HA LEU 87 OK 11 86 - 13 - 2556=3, 1.8/2560=3...(4) HB3 PHE 80 - HA ASP 53 lone 7 95 - 8 - 745/2.9=2, 2561/3.0=2, 234/3.6=1 HB2 ASP 53 - HA LEU 85 lone 5 77 - 6 - 2556=1, 1.8/2560=1 HB2 ASN 24 - HA ASP 53 lone 4 71 - 5 - HE3 LYS 65 - HA ASP 53 lone 3 96 - 3 - HB3 PHE 80 - HA LEU 30 lone 3 77 - 4 - 5888/4.0=1 HE2 LYS 65 - HA ASP 53 lone 3 90 - 3 - HB2 ASN 63 - HA ASP 53 lone 3 89 - 3 - HB3 PHE 80 - HA LEU 87 lone 2 77 - 3 - HE3 LYS 14 - HA ASP 53 lone 2 95 - 2 - HE2 LYS 14 - HA ASP 53 lone 2 90 - 2 - HB2 ASN 24 - HA LEU 30 lone 2 54 - 3 - HE3 LYS 65 - HA LEU 87 lone 2 79 - 2 - HE2 LYS 65 - HA LEU 87 lone 2 73 - 2 - HE3 LYS 65 - HA LEU 85 lone 1 70 - 2 - HE2 LYS 65 - HA LEU 85 lone 1 64 - 2 - HB2 ASN 63 - HA LEU 85 lone 1 62 - 1 - HB3 PHE 80 - HA LEU 85 lone 1 68 - 1 - HE3 LYS 14 - HA LEU 87 lone 1 77 - 1 - HE2 LYS 14 - HA LEU 87 lone 1 73 - 1 - HE3 LYS 14 - HA LEU 85 lone 1 68 - 1 - HE2 LYS 14 - HA LEU 85 lone 1 64 - 1 - HB2 ASN 63 - HA LEU 87 lone 1 71 - 1 - HE3 LYS 65 - HA LEU 30 lone 1 78 - 1 - HE2 LYS 65 - HA LEU 30 lone 0 72 - 1 - HB2 ASN 24 - HA LEU 87 lone 0 55 - 1 - HE3 LYS 14 - HA LEU 30 lone 0 77 - 1 - HB2 ASN 63 - HA LEU 30 lone 0 71 - 1 - HE2 LYS 14 - HA LEU 30 lone 0 72 - 1 - HB2 ASN 24 - HA LEU 85 lone 0 47 - 1 - Peak 2554 from cnoeabs.peaks (2.78, 4.24, 54.76 ppm; 3.52 A): 1 out of 12 assignments used, quality = 1.00: * HB3 ASP 53 + HA ASP 53 OK 100 100 - 100 - 3.0=100 HB3 ASP 53 - HA LEU 30 OK 28 86 - 33 - 2560=8, 1.8/2556=6...(10) HB3 PHE 57 - HA ASP 53 OK 16 81 - 20 - 746/2.9=4, 235/3.6=3...(6) HB3 ASP 53 - HA LEU 87 OK 14 86 - 17 - 2560=4, 1.8/2556=3...(4) HB3 ASP 53 - HA LEU 85 lone 6 77 - 8 - 2560=2, 1.8/2556=1 HE3 LYS 56 - HA ASP 53 lone 5 60 - 8 - 235/3.6=2, 746/2.9=2 HB3 PHE 57 - HA LEU 30 lone 5 63 - 7 - ~5261=1, ~4671=1 HE3 LYS 56 - HA LEU 87 lone 3 46 - 7 - HB3 PHE 57 - HA LEU 87 lone 3 63 - 4 - 4.4/4656=1 HE3 LYS 56 - HA LEU 30 lone 2 45 - 4 - HB3 PHE 57 - HA LEU 85 lone 2 55 - 3 - HE3 LYS 56 - HA LEU 85 lone 1 39 - 2 - Peak 2555 from cnoeabs.peaks (9.15, 2.90, 38.14 ppm; 4.59 A): 1 out of 6 assignments used, quality = 1.00: * H ASP 53 + HB2 ASP 53 OK 100 100 - 100 - 4.1=100 H VAL 50 - HB2 ASP 53 OK 30 99 - 30 - 2559/1.8=9, 4.7/5147=6...(5) HE ARG 27 - HB2 ASP 53 OK 12 85 - 14 - 2559/1.8=4, 232/4.6=2...(5) H ASP 53 - HB2 ASN 24 lone 6 60 - 9 - 745=2, 4.1/2561=1, 2.9/2556=1 H VAL 50 - HB2 ASN 24 lone 2 57 - 4 - HE ARG 27 - HB2 ASN 24 lone 2 45 - 5 - Peak 2556 from cnoeabs.peaks (4.24, 2.90, 38.14 ppm; 3.52 A): 1 out of 12 assignments used, quality = 1.00: * HA ASP 53 + HB2 ASP 53 OK 100 100 - 100 - 3.0=100 HA LEU 30 - HB2 ASP 53 OK 29 96 - 31 - 2560/1.8=7, 2553=6...(10) HA LEU 87 - HB2 ASP 53 OK 15 99 - 15 - 2560/1.8=3, 2553=3...(4) HA LYS 78 - HB2 ASP 53 lone 6 85 - 7 - 2560/1.8=2, 233/4.6=1 HA LEU 85 - HB2 ASP 53 lone 5 78 - 7 - 2560/1.8=1, 2553=1 HA ASP 53 - HB2 ASN 24 lone 4 60 - 6 - 3.0/2561=1, 2553=1 HA ALA 89 - HB2 ASP 53 lone 2 92 - 2 - HA LEU 30 - HB2 ASN 24 lone 2 54 - 4 - HA LYS 78 - HB2 ASN 24 lone 1 45 - 3 - ~5823=1 HA LEU 87 - HB2 ASN 24 lone 1 59 - 1 - HA ALA 89 - HB2 ASN 24 lone 0 50 - 1 - HA LEU 85 - HB2 ASN 24 lone 0 40 - 1 - Peak 2557 from cnoeabs.peaks (2.90, 2.90, 38.14 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 53 + HB2 ASP 53 OK 100 100 - 100 HB2 ASN 24 - HB2 ASN 24 OK 36 36 - 100 Peak 2558 from cnoeabs.peaks (2.78, 2.90, 38.14 ppm; 2.69 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASP 53 + HB2 ASP 53 OK 100 100 - 100 - 1.8=100 HB3 PHE 57 - HB2 ASP 53 lone 7 81 - 9 - 746/4.1=2, 2554/3.0=1, 235/4.6=1 HB3 ASP 53 - HB2 ASN 24 lone 3 60 - 5 - 2561=2 HE3 LYS 56 - HB2 ASP 53 lone 2 60 - 3 - HB3 PHE 57 - HB2 ASN 24 lone 0 42 - 1 - HE3 LYS 56 - HB2 ASN 24 lone 0 29 - 1 - Peak 2559 from cnoeabs.peaks (9.15, 2.78, 38.14 ppm; 4.54 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 53 + HB3 ASP 53 OK 100 100 - 100 - 4.1=100 H VAL 50 - HB3 ASP 53 OK 35 99 - 36 - 4994=8, 2555/1.8=8...(10) HE ARG 27 - HB3 ASP 53 OK 14 85 - 17 - 2555/1.8=3, 6004/5141=2...(6) Peak 2560 from cnoeabs.peaks (4.24, 2.78, 38.14 ppm; 3.69 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 53 + HB3 ASP 53 OK 100 100 - 100 - 3.0=100 HA LEU 30 - HB3 ASP 53 OK 32 96 - 34 - 2554=7, 2556/1.8=7...(10) HA LEU 87 - HB3 ASP 53 OK 17 99 - 17 - 2554=4, 2556/1.8=3...(4) HA LYS 78 - HB3 ASP 53 lone 8 85 - 10 - 5843/5851=2, 2556/1.8=1 HA LEU 85 - HB3 ASP 53 lone 6 78 - 8 - 2554=2, 2556/1.8=1 HA ALA 89 - HB3 ASP 53 lone 3 92 - 3 - Peak 2561 from cnoeabs.peaks (2.90, 2.78, 38.14 ppm; 2.71 A): 1 out of 8 assignments used, quality = 1.00: * HB2 ASP 53 + HB3 ASP 53 OK 100 100 - 100 - 1.8=100 HB3 PHE 80 - HB3 ASP 53 lone 7 95 - 7 - 5845/5846=1 HB2 ASN 24 - HB3 ASP 53 lone 4 71 - 5 - 2558=1 HB2 ASN 63 - HB3 ASP 53 lone 3 89 - 3 - HE3 LYS 65 - HB3 ASP 53 lone 2 96 - 2 - HE2 LYS 65 - HB3 ASP 53 lone 2 90 - 2 - HE3 LYS 14 - HB3 ASP 53 lone 1 95 - 1 - HE2 LYS 14 - HB3 ASP 53 lone 1 90 - 1 - Peak 2562 from cnoeabs.peaks (2.78, 2.78, 38.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 53 + HB3 ASP 53 OK 100 100 - 100 Peak 2563 from cnoeabs.peaks (8.78, 3.64, 45.16 ppm; 3.23 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 54 + HA2 GLY 54 OK 100 100 - 100 - 3.0=100 H PHE 57 - HA2 GLY 54 lone 9 90 - 10 - 236/3.6=5, 2566/1.8=2 H LEU 34 - HA2 GLY 54 lone 7 97 - 7 - 236/3.6=2, 2566/1.8=2 H ASN 18 - HA2 GLY 54 lone 4 100 - 4 - 236/3.6=2, 2566/1.8=1 Peak 2564 from cnoeabs.peaks (3.64, 3.64, 45.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 54 + HA2 GLY 54 OK 100 100 - 100 Peak 2565 from cnoeabs.peaks (4.07, 3.64, 45.16 ppm; 2.69 A): 1 out of 3 assignments used, quality = 1.00: * HA3 GLY 54 + HA2 GLY 54 OK 100 100 - 100 - 1.8=100 HA3 GLY 61 - HA2 GLY 54 OK 16 97 - 16 - 2567=6, 749/3.0=2...(7) HA2 GLY 59 - HA2 GLY 54 lone 3 99 - 3 - Peak 2566 from cnoeabs.peaks (8.78, 4.07, 45.16 ppm; 3.21 A): 1 out of 8 assignments used, quality = 1.00: * H GLY 54 + HA3 GLY 54 OK 100 100 - 100 - 3.0=100 H GLY 54 - HA3 GLY 61 OK 18 97 - 18 - 749=7, 3.0/2565=4...(7) H PHE 57 - HA3 GLY 54 lone 9 90 - 10 - 236/3.6=5, 2563/1.8=3 H LEU 34 - HA3 GLY 54 lone 6 97 - 6 - 2563/1.8=2, 236/3.6=2 H ASN 18 - HA3 GLY 54 lone 4 100 - 4 - 236/3.6=2, 2563/1.8=1 H PHE 57 - HA3 GLY 61 lone 1 85 - 2 - H LEU 34 - HA3 GLY 61 lone 1 93 - 1 - H ASN 18 - HA3 GLY 61 lone 1 97 - 1 - Peak 2567 from cnoeabs.peaks (3.64, 4.07, 45.16 ppm; 2.63 A): 1 out of 4 assignments used, quality = 1.00: * HA2 GLY 54 + HA3 GLY 54 OK 100 100 - 100 - 1.8=100 HA2 GLY 54 - HA3 GLY 61 OK 16 97 - 16 - 2565=6, 3.0/749=2...(7) HA VAL 66 - HA3 GLY 61 OK 14 58 - 24 - 3.2/5379=5, 3.6/5516=3...(9) HA VAL 66 - HA3 GLY 54 lone 5 63 - 9 - 3.2/5166=2, 3.2/5462=1 Peak 2568 from cnoeabs.peaks (4.07, 4.07, 45.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 54 + HA3 GLY 54 OK 100 100 - 100 HA3 GLY 61 + HA3 GLY 61 OK 93 93 - 100 Peak 2569 from cnoeabs.peaks (8.02, 4.42, 54.02 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 55 + HA GLN 55 OK 100 100 - 100 - 2.9=100 Peak 2570 from cnoeabs.peaks (4.42, 4.42, 54.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 55 + HA GLN 55 OK 100 100 - 100 Peak 2571 from cnoeabs.peaks (2.04, 4.42, 54.02 ppm; 3.11 A): 2 out of 9 assignments used, quality = 1.00: * HB2 GLN 55 + HA GLN 55 OK 100 100 - 100 - 3.0=100 HG3 GLN 55 + HA GLN 55 OK 82 100 - 82 - 3.8=55, 2601/2.9=18...(14) HB2 MET 21 - HA GLN 55 OK 24 81 - 30 - 1.8/2573=5, 2578=3...(12) QE MET 21 - HA GLN 55 OK 13 85 - 15 - 1544/3.8=4, 4.2/2573=3...(6) HA ALA 75 - HA GLN 55 OK 11 92 - 12 - 5746/3.6=3, 752/2.9=1 HG2 GLU 49 - HA GLN 55 lone 6 81 - 8 - 4936/3.6=3 HB3 GLU 49 - HA GLN 55 lone 6 85 - 7 - 4938/3.6=2 HB2 LEU 23 - HA GLN 55 lone 6 81 - 8 - HG3 GLU 33 - HA GLN 55 lone 2 76 - 2 - Peak 2572 from cnoeabs.peaks (1.75, 4.42, 54.02 ppm; 3.31 A): 1 out of 10 assignments used, quality = 1.00: * HB3 GLN 55 + HA GLN 55 OK 100 100 - 100 - 3.0=100 HB3 LYS 65 - HA GLN 55 OK 27 93 - 29 - 2586=6, 2585/2.9=4...(11) HB2 LEU 73 - HA GLN 55 OK 26 100 - 26 - 4206=4, 1.8/4208=3...(11) HB3 ARG 28 - HA GLN 55 OK 18 89 - 20 - 1831=2, 753/2.9=2...(8) HB3 MET 48 - HA GLN 55 OK 12 100 - 12 - 2580/3.0=1, 4908/5.7=1...(5) QE MET 11 - HA GLN 55 lone 8 85 - 10 - 4247/5.7=2, 753/2.9=1, 242/3.6=1 QB ALA 74 - HA GLN 55 poor 8 68 - 12 - 242/3.6=2, 2.9/1081=1 HB2 ARG 27 - HA GLN 55 poor 7 68 - 10 - 4.2/622=1, 4.0/4556=1 HB2 LYS 17 - HA GLN 55 lone 5 63 - 7 - 242/3.6=1 HB3 LYS 17 - HA GLN 55 lone 4 60 - 7 - 242/3.6=1 Peak 2573 from cnoeabs.peaks (2.17, 4.42, 54.02 ppm; 3.80 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 55 + HA GLN 55 OK 100 100 - 100 - 3.8=100 HB VAL 52 + HA GLN 55 OK 62 100 - 62 - 2593/2.9=13, 2594=12...(16) HB3 MET 21 - HA GLN 55 OK 41 90 - 46 - 2589/3.0=6, 2605/3.8=6...(25) Peak 2574 from cnoeabs.peaks (2.04, 4.42, 54.02 ppm; 3.11 A): 2 out of 11 assignments used, quality = 1.00: HB2 GLN 55 + HA GLN 55 OK 100 100 - 100 - 3.0=100 * HG3 GLN 55 + HA GLN 55 OK 82 100 - 82 - 3.8=55, 2601/2.9=18...(14) HB2 MET 21 - HA GLN 55 OK 25 83 - 30 - 1.8/2573=5, 2578=3...(12) QE MET 21 - HA GLN 55 OK 13 87 - 15 - 1544/3.8=4, 4.2/2573=3...(6) HA ALA 75 - HA GLN 55 OK 11 93 - 12 - 5746/3.6=3, 752/2.9=1 HB3 GLU 49 - HA GLN 55 lone 6 83 - 7 - 4938/3.6=2 HG2 GLU 49 - HA GLN 55 lone 6 78 - 8 - 4936/3.6=2 HB2 LEU 23 - HA GLN 55 lone 6 78 - 8 - HB3 GLU 77 - HA GLN 55 lone 5 60 - 8 - 3.0/6049=4, 4.1/5199=3 HG2 GLU 22 - HA GLN 55 lone 2 60 - 3 - 5.0/4446=1 HG3 GLU 33 - HA GLN 55 lone 2 78 - 2 - Peak 2577 from cnoeabs.peaks (8.02, 2.04, 31.63 ppm; 3.85 A): 1 out of 2 assignments used, quality = 0.99: * H GLN 55 + HB2 GLN 55 OK 99 100 - 99 - 3.9=93, 2601/2.9=28...(14) H GLN 55 - HB2 MET 21 OK 11 42 - 25 - 754/1.8=6, ~2573=4...(9) Peak 2578 from cnoeabs.peaks (4.42, 2.04, 31.63 ppm; 3.84 A): 1 out of 10 assignments used, quality = 1.00: * HA GLN 55 + HB2 GLN 55 OK 100 100 - 100 - 3.0=100 HA ARG 28 - HB2 GLN 55 OK 22 97 - 22 - 2586/1.8=5, 2602/2.9=4...(7) HA TYR 70 - HB2 GLN 55 OK 19 83 - 23 - 2586/1.8=4, 2602/2.9=3...(9) HA GLN 55 - HB2 MET 21 OK 19 42 - 44 - 2573/1.8=8, 2571=5...(24) HA PRO 81 - HB2 GLN 55 OK 13 100 - 13 - 2586/1.8=2, 2602/2.9=2...(7) HA3 GLY 59 - HB2 GLN 55 lone 3 60 - 5 - HA PRO 81 - HB2 MET 21 lone 2 41 - 4 - 4446/4.6=2 HA TYR 70 - HB2 MET 21 lone 1 29 - 2 - HA ARG 28 - HB2 MET 21 lone 1 38 - 2 - HA3 GLY 59 - HB2 MET 21 lone 0 19 - 1 - Peak 2579 from cnoeabs.peaks (2.04, 2.04, 31.63 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 55 + HB2 GLN 55 OK 100 100 - 100 HB2 MET 21 - HB2 MET 21 OK 28 28 - 100 Peak 2580 from cnoeabs.peaks (1.75, 2.04, 31.63 ppm; 2.89 A): 1 out of 20 assignments used, quality = 1.00: * HB3 GLN 55 + HB2 GLN 55 OK 100 100 - 100 - 1.8=100 HB3 LYS 65 - HB2 GLN 55 OK 23 93 - 25 - 2587=3, 2586/3.0=3...(13) HB2 LEU 73 - HB2 GLN 55 OK 19 100 - 19 - 4206/3.0=2, 2604/2.9=2...(9) HB3 GLN 55 - HB2 MET 21 OK 16 42 - 37 - 2589/1.8=5, 2590=4...(19) HB3 ARG 28 - HB2 GLN 55 OK 12 89 - 13 - 3.0/2578=2, 2572/3.0=2...(4) HB3 MET 48 - HB2 GLN 55 OK 11 100 - 11 - 4908/4.5=1, 2604/2.9=1 QB ALA 74 - HB2 GLN 55 poor 7 68 - 10 - 3.4/865=1 QE MET 11 - HB2 GLN 55 lone 6 85 - 7 - 4247/4.5=2 HB2 ARG 27 - HB2 GLN 55 lone 5 68 - 7 - QB ALA 74 - HB2 MET 21 poor 4 23 - 19 - ~1521=3, 3207/3.0=2...(10) HB2 LYS 17 - HB2 GLN 55 lone 3 63 - 4 - HB3 LYS 17 - HB2 GLN 55 lone 3 60 - 4 - HB3 LYS 65 - HB2 MET 21 lone 1 35 - 2 - HB2 LYS 17 - HB2 MET 21 lone 1 21 - 4 - HB3 LYS 17 - HB2 MET 21 lone 1 19 - 4 - HB2 LEU 73 - HB2 MET 21 lone 1 41 - 1 - HB3 MET 48 - HB2 MET 21 lone 0 42 - 1 - HB3 ARG 28 - HB2 MET 21 lone 0 32 - 1 - QE MET 11 - HB2 MET 21 lone 0 30 - 1 - HB2 ARG 27 - HB2 MET 21 lone 0 23 - 1 - Peak 2581 from cnoeabs.peaks (2.17, 2.04, 31.63 ppm; 3.12 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 55 + HB2 GLN 55 OK 100 100 - 100 - 2.9=100 HB VAL 52 + HB2 GLN 55 OK 48 100 - 48 - 2593/3.9=7, 2589/1.8=6...(20) HB3 MET 21 - HB2 GLN 55 OK 41 90 - 45 - 2589/1.8=5, 2605/2.9=5...(23) HB3 MET 21 - HB2 MET 21 OK 33 33 - 100 - 1.8=100 HG2 GLN 55 - HB2 MET 21 OK 19 42 - 45 - 1537/2.9=5, 1530/2.9=5...(22) HB VAL 52 - HB2 MET 21 poor 5 41 - 13 - 1509/3.0=1, 1537/2.9=1...(7) Peak 2582 from cnoeabs.peaks (2.04, 2.04, 31.63 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: HB2 GLN 55 + HB2 GLN 55 OK 100 100 - 100 HB2 MET 21 - HB2 MET 21 OK 29 29 - 100 Reference assignment not found: HG3 GLN 55 - HB2 GLN 55 Peak 2583 from cnoeabs.peaks (6.80, 2.04, 31.63 ppm; 6.07 A): 1 out of 6 assignments used, quality = 1.00: * HE21 GLN 55 + HB2 GLN 55 OK 100 100 - 100 - 4.5=100 QE TYR 70 - HB2 GLN 55 OK 44 100 - 44 - 2607/2.9=9, 2591/1.8=8...(9) QD TYR 32 - HB2 GLN 55 OK 17 78 - 22 - 2607/2.9=4, 2591/1.8=3...(7) HE21 GLN 55 - HB2 MET 21 OK 15 42 - 36 - 486/1.8=7, ~494=7...(9) QD TYR 32 - HB2 MET 21 poor 3 27 - 11 - 4.6/660=2 QE TYR 70 - HB2 MET 21 lone 2 41 - 5 - Peak 2584 from cnoeabs.peaks (7.54, 2.04, 31.63 ppm; 5.20 A): 1 out of 8 assignments used, quality = 1.00: * HE22 GLN 55 + HB2 GLN 55 OK 100 100 - 100 - 4.5=100 H ALA 69 - HB2 GLN 55 OK 23 90 - 26 - 757/3.9=5, 2608/2.9=5...(6) H ASN 63 - HB2 GLN 55 OK 14 92 - 15 - 757/3.9=4, 2608/2.9=3...(5) HE22 GLN 55 - HB2 MET 21 OK 13 42 - 32 - 494/1.8=7, ~486=7...(9) H SER 36 - HB2 GLN 55 lone 7 71 - 9 - 2608/2.9=2, 757/3.9=1...(4) H ASN 63 - HB2 MET 21 lone 2 34 - 6 - 282/3.0=2 H ALA 69 - HB2 MET 21 lone 1 33 - 4 - H SER 36 - HB2 MET 21 lone 1 24 - 2 - Peak 2585 from cnoeabs.peaks (8.02, 1.75, 31.63 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 55 + HB3 GLN 55 OK 100 100 - 100 - 3.9=100 H GLN 55 - HB3 LYS 65 OK 24 91 - 27 - 2.9/2586=5, 753=5...(9) Peak 2586 from cnoeabs.peaks (4.42, 1.75, 31.63 ppm; 3.44 A): 1 out of 10 assignments used, quality = 1.00: * HA GLN 55 + HB3 GLN 55 OK 100 100 - 100 - 3.0=100 HA GLN 55 - HB3 LYS 65 OK 28 91 - 30 - 2572=6, 2.9/2585=4...(13) HA ARG 28 - HB3 GLN 55 OK 21 97 - 22 - 2578/1.8=4, 2602/2.9=3...(6) HA TYR 70 - HB3 GLN 55 OK 19 83 - 23 - 4205=4, 2578/1.8=3...(9) HA PRO 81 - HB3 GLN 55 OK 11 100 - 11 - 2578/1.8=2, 2602/2.9=2...(5) HA ARG 28 - HB3 LYS 65 lone 3 85 - 4 - HA3 GLY 59 - HB3 GLN 55 lone 3 60 - 5 - HA TYR 70 - HB3 LYS 65 lone 3 70 - 4 - HA PRO 81 - HB3 LYS 65 lone 2 90 - 2 - HA3 GLY 59 - HB3 LYS 65 lone 1 49 - 1 - Peak 2587 from cnoeabs.peaks (2.04, 1.75, 31.63 ppm; 2.74 A): 2 out of 18 assignments used, quality = 1.00: * HB2 GLN 55 + HB3 GLN 55 OK 100 100 - 100 - 1.8=100 HG3 GLN 55 + HB3 GLN 55 OK 88 100 - 88 - 2.9=81, 2601/3.9=10...(8) HB2 MET 21 - HB3 GLN 55 OK 27 81 - 33 - 1.8/2589=4, 2580=3...(16) HB2 GLN 55 - HB3 LYS 65 OK 21 91 - 23 - 2580=5, 3.0/2586=2...(9) HG3 GLN 55 - HB3 LYS 65 OK 17 91 - 19 - 2604=4, 1.8/2589=2...(7) QE MET 21 - HB3 GLN 55 OK 15 85 - 17 - 1544/2.9=4, 4.2/2589=2, ~1537=1 HA ALA 75 - HB3 GLN 55 OK 12 92 - 14 - ~6110=2, 5746/4.6=2...(4) HB2 LEU 23 - HB3 LYS 65 poor 8 68 - 11 - ~4477=1, ~2922=1, 1588/3.0=1 HB2 LEU 23 - HB3 GLN 55 lone 6 81 - 7 - HB3 GLU 49 - HB3 GLN 55 lone 5 85 - 6 - 4938/4.6=1 HG2 GLU 49 - HB3 GLN 55 lone 4 81 - 5 - 4936/4.6=1 HA ALA 75 - HB3 LYS 65 lone 4 79 - 5 - HG3 GLU 33 - HB3 LYS 65 lone 3 63 - 4 - QE MET 21 - HB3 LYS 65 lone 2 72 - 3 - HG3 GLU 33 - HB3 GLN 55 lone 2 76 - 2 - HB2 MET 21 - HB3 LYS 65 lone 1 68 - 2 - HB3 GLU 49 - HB3 LYS 65 lone 1 72 - 2 - HG2 GLU 49 - HB3 LYS 65 lone 1 68 - 2 - Peak 2588 from cnoeabs.peaks (1.75, 1.75, 31.63 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 55 + HB3 GLN 55 OK 100 100 - 100 HB3 LYS 65 + HB3 LYS 65 OK 81 81 - 100 Peak 2589 from cnoeabs.peaks (2.17, 1.75, 31.63 ppm; 3.65 A): 3 out of 6 assignments used, quality = 1.00: * HG2 GLN 55 + HB3 GLN 55 OK 100 100 - 100 - 2.9=100 HB VAL 52 + HB3 GLN 55 OK 59 100 - 59 - 2593/3.9=9, 2581/1.8=8...(19) HB3 MET 21 + HB3 GLN 55 OK 51 90 - 56 - 2581/1.8=7, 2605/2.9=7...(29) HG2 GLN 55 - HB3 LYS 65 OK 30 91 - 33 - 1.8/2604=5, 2596=4...(13) HB VAL 52 - HB3 LYS 65 lone 7 90 - 8 - HB3 MET 21 - HB3 LYS 65 lone 4 78 - 5 - Peak 2590 from cnoeabs.peaks (2.04, 1.75, 31.63 ppm; 2.74 A): 2 out of 22 assignments used, quality = 1.00: HB2 GLN 55 + HB3 GLN 55 OK 100 100 - 100 - 1.8=100 * HG3 GLN 55 + HB3 GLN 55 OK 88 100 - 88 - 2.9=81, 2601/3.9=10...(8) HB2 MET 21 - HB3 GLN 55 OK 28 83 - 34 - 1.8/2589=4, 2580=3...(16) HB2 GLN 55 - HB3 LYS 65 OK 21 91 - 23 - 2580=5, 3.0/2586=2...(9) HG3 GLN 55 - HB3 LYS 65 OK 17 91 - 19 - 2604=4, 1.8/2589=2...(7) QE MET 21 - HB3 GLN 55 OK 15 87 - 17 - 1544/2.9=5, 4.2/2589=2, ~1537=1 HA ALA 75 - HB3 GLN 55 OK 13 93 - 14 - ~6110=2, 5746/4.6=2...(4) HB2 LEU 23 - HB3 LYS 65 poor 7 66 - 11 - ~4477=1, ~2922=1 HB2 LEU 23 - HB3 GLN 55 lone 6 78 - 7 - HB3 GLU 49 - HB3 GLN 55 lone 5 83 - 6 - 4938/4.6=1 HG2 GLU 49 - HB3 GLN 55 lone 4 78 - 5 - 4936/4.6=1 HA ALA 75 - HB3 LYS 65 lone 4 81 - 5 - HB3 GLU 77 - HB3 GLN 55 lone 3 60 - 5 - 4.1/5189=2, ~6049=1 HG3 GLU 33 - HB3 LYS 65 lone 3 66 - 4 - QE MET 21 - HB3 LYS 65 lone 2 74 - 3 - HB3 GLU 77 - HB3 LYS 65 lone 2 49 - 4 - 4.1/5189=1 HG3 GLU 33 - HB3 GLN 55 lone 2 78 - 2 - HB2 MET 21 - HB3 LYS 65 lone 2 70 - 2 - HB3 GLU 49 - HB3 LYS 65 lone 1 70 - 2 - HG2 GLU 22 - HB3 GLN 55 lone 1 60 - 2 - HG2 GLU 49 - HB3 LYS 65 lone 1 66 - 2 - HG2 GLU 22 - HB3 LYS 65 lone 1 49 - 1 - Peak 2591 from cnoeabs.peaks (6.80, 1.75, 31.63 ppm; 6.20 A): 3 out of 6 assignments used, quality = 1.00: * HE21 GLN 55 + HB3 GLN 55 OK 100 100 - 100 - 4.5=100 QE TYR 70 + HB3 GLN 55 OK 52 100 - 52 - 2583/1.8=11, 2607/2.9=9...(14) HE21 GLN 55 + HB3 LYS 65 OK 47 91 - 52 - ~4180=8, 1.7/2592=7...(12) QE TYR 70 - HB3 LYS 65 OK 22 90 - 24 - 5476/4.4=8, 4688/5464=5...(4) QD TYR 32 - HB3 GLN 55 OK 20 78 - 25 - 2583/1.8=4, 2607/2.9=4...(6) QD TYR 32 - HB3 LYS 65 OK 15 66 - 22 - 4604/5540=3, 2.5/4618=2...(5) Peak 2592 from cnoeabs.peaks (7.54, 1.75, 31.63 ppm; 5.16 A): 1 out of 8 assignments used, quality = 1.00: * HE22 GLN 55 + HB3 GLN 55 OK 100 100 - 100 - 4.5=100 HE22 GLN 55 - HB3 LYS 65 OK 42 91 - 46 - 4180/3.0=6, 493=6...(11) H ALA 69 - HB3 LYS 65 OK 41 78 - 53 - 1056/3.0=22, 5477/4.4=8...(11) H ALA 69 - HB3 GLN 55 OK 31 90 - 34 - 2584/1.8=6, 757/3.9=5...(9) H ASN 63 - HB3 LYS 65 OK 28 79 - 35 - 5450/3.8=9, 4180/3.0=8...(8) H ASN 63 - HB3 GLN 55 OK 19 92 - 20 - 2584/1.8=4, 757/3.9=4...(6) H SER 36 - HB3 LYS 65 OK 12 59 - 20 - 677/3.0=4, 5450/3.8=4...(5) H SER 36 - HB3 GLN 55 lone 7 71 - 10 - 2584/1.8=2, 2608/2.9=2 Peak 2593 from cnoeabs.peaks (8.02, 2.17, 33.96 ppm; 3.92 A): 2 out of 2 assignments used, quality = 0.99: * H GLN 55 + HG2 GLN 55 OK 95 100 - 95 - 4.9=51, 2601/1.8=37...(17) H GLN 55 + HB VAL 52 OK 80 98 - 82 - 5198/4.0=26, 754=19...(17) Peak 2594 from cnoeabs.peaks (4.42, 2.17, 33.96 ppm; 3.97 A): 2 out of 10 assignments used, quality = 1.00: * HA GLN 55 + HG2 GLN 55 OK 100 100 - 100 - 3.8=100 HA GLN 55 + HB VAL 52 OK 65 98 - 66 - 2573=15, 2.9/2593=14...(16) HA ARG 28 - HG2 GLN 55 OK 20 97 - 20 - 2602/1.8=5, 2586/2.9=4...(7) HA TYR 70 - HG2 GLN 55 OK 18 83 - 21 - 2602/1.8=4, 3123/3.5=4...(7) HA PRO 81 - HG2 GLN 55 OK 11 100 - 11 - 2602/1.8=3, 2578/2.9=2...(5) HA TYR 70 - HB VAL 52 lone 4 78 - 5 - HA ARG 28 - HB VAL 52 lone 4 92 - 4 - HA3 GLY 59 - HG2 GLN 55 lone 3 60 - 5 - HA PRO 81 - HB VAL 52 lone 2 97 - 2 - HA3 GLY 59 - HB VAL 52 lone 1 56 - 2 - Peak 2595 from cnoeabs.peaks (2.04, 2.17, 33.96 ppm; 2.54 A): 2 out of 18 assignments used, quality = 1.00: HG3 GLN 55 + HG2 GLN 55 OK 100 100 - 100 - 1.8=100 * HB2 GLN 55 + HG2 GLN 55 OK 78 100 - 78 - 2.9=64, 3.0/2573=6...(12) HG3 GLN 55 - HB VAL 52 OK 36 98 - 37 - 2605=9, 2.9/2581=3...(16) HB2 GLN 55 - HB VAL 52 OK 33 98 - 34 - 2581=5, 2.9/2605=4...(13) HB2 MET 21 - HG2 GLN 55 OK 27 81 - 34 - 1516=5, 2.9/1537=4...(13) QE MET 21 - HG2 GLN 55 OK 18 85 - 22 - 1544=7, 3.4/1537=3...(5) HA ALA 75 - HG2 GLN 55 OK 11 92 - 12 - 2.1/6110=4, 5746/4.7=2 HB2 MET 21 - HB VAL 52 lone 7 76 - 9 - 1516=2, 2.9/1537=1...(4) QE MET 21 - HB VAL 52 lone 6 80 - 7 - 1544=3 HA ALA 75 - HB VAL 52 lone 6 87 - 6 - 2.1/6110=2 HB2 LEU 23 - HG2 GLN 55 lone 5 81 - 6 - HB3 GLU 49 - HG2 GLN 55 lone 4 85 - 5 - 4938/4.7=1 HG2 GLU 49 - HG2 GLN 55 lone 4 81 - 4 - 4936/4.7=1 HB3 GLU 49 - HB VAL 52 lone 3 80 - 3 - 3965/4.4=2 HG2 GLU 49 - HB VAL 52 lone 2 76 - 3 - 3966/4.4=2 HB2 LEU 23 - HB VAL 52 lone 2 76 - 3 - HG3 GLU 33 - HG2 GLN 55 lone 1 76 - 2 - HG3 GLU 33 - HB VAL 52 lone 1 71 - 1 - Peak 2596 from cnoeabs.peaks (1.75, 2.17, 33.96 ppm; 3.41 A): 2 out of 20 assignments used, quality = 1.00: * HB3 GLN 55 + HG2 GLN 55 OK 100 100 - 100 - 2.9=100 HB3 GLN 55 + HB VAL 52 OK 53 98 - 55 - 2589=10, 3.9/2593=8...(18) HB2 ARG 27 - HB VAL 52 OK 28 63 - 44 - ~6074=6, 6075/2.1=6...(15) HB3 LYS 65 - HG2 GLN 55 OK 28 93 - 30 - 2589=5, 2604/1.8=5...(12) HB2 LEU 73 - HG2 GLN 55 OK 23 100 - 23 - 2604/1.8=4, 4206/3.8=3...(9) HB3 ARG 28 - HG2 GLN 55 OK 14 89 - 16 - 2604/1.8=2, 3.0/2594=2...(7) HB3 MET 48 - HG2 GLN 55 OK 14 100 - 14 - 4908/3.5=2, 2604/1.8=2...(5) QB ALA 74 - HG2 GLN 55 OK 12 68 - 17 - 4.5/6110=5, 2604/1.8=2...(5) QE MET 11 - HG2 GLN 55 poor 9 85 - 11 - 4247/3.5=4, 2604/1.8=2 HB2 ARG 27 - HG2 GLN 55 lone 6 68 - 9 - HB3 LYS 65 - HB VAL 52 lone 6 89 - 7 - 2589=1 QB ALA 74 - HB VAL 52 lone 6 63 - 9 - 4.5/6110=3, 5730/4667=1 HB2 LEU 73 - HB VAL 52 lone 5 97 - 5 - HB2 LYS 17 - HG2 GLN 55 lone 5 63 - 7 - 4.6/4320=1 HB3 LYS 17 - HG2 GLN 55 lone 4 60 - 7 - 4.6/4320=1 HB3 ARG 28 - HB VAL 52 lone 3 84 - 4 - HB3 MET 48 - HB VAL 52 lone 3 98 - 3 - QE MET 11 - HB VAL 52 lone 2 80 - 3 - HB2 LYS 17 - HB VAL 52 lone 2 58 - 3 - 4.6/4320=1 HB3 LYS 17 - HB VAL 52 lone 2 56 - 3 - 4.6/4320=1 Peak 2597 from cnoeabs.peaks (2.17, 2.17, 33.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 55 + HG2 GLN 55 OK 100 100 - 100 HB VAL 52 + HB VAL 52 OK 97 97 - 100 Peak 2598 from cnoeabs.peaks (2.04, 2.17, 33.96 ppm; 2.54 A): 2 out of 22 assignments used, quality = 1.00: * HG3 GLN 55 + HG2 GLN 55 OK 100 100 - 100 - 1.8=100 HB2 GLN 55 + HG2 GLN 55 OK 78 100 - 78 - 2.9=64, 3.0/2573=6...(12) HG3 GLN 55 - HB VAL 52 OK 36 98 - 37 - 2605=9, 2.9/2581=3...(16) HB2 GLN 55 - HB VAL 52 OK 33 98 - 34 - 2581=5, 2.9/2605=4...(13) HB2 MET 21 - HG2 GLN 55 OK 28 83 - 34 - 1516=5, 2.9/1537=4...(13) QE MET 21 - HG2 GLN 55 OK 19 87 - 22 - 1544=8, 3.4/1537=3...(5) HA ALA 75 - HG2 GLN 55 OK 11 93 - 12 - 2.1/6110=4, 5746/4.7=2 HB2 MET 21 - HB VAL 52 lone 7 78 - 9 - 1516=2, 2.9/1537=1...(4) QE MET 21 - HB VAL 52 lone 6 82 - 7 - 1544=3 HA ALA 75 - HB VAL 52 lone 6 89 - 6 - 2.1/6110=2 HB2 LEU 23 - HG2 GLN 55 lone 5 78 - 6 - HB3 GLU 49 - HG2 GLN 55 lone 4 83 - 5 - 4938/4.7=1 HG2 GLU 49 - HG2 GLN 55 lone 3 78 - 4 - 4936/4.7=1 HB3 GLU 49 - HB VAL 52 lone 3 78 - 3 - 3965/4.4=2 HG2 GLU 49 - HB VAL 52 lone 2 73 - 3 - 3966/4.4=2 HB2 LEU 23 - HB VAL 52 lone 2 73 - 3 - HB3 GLU 77 - HG2 GLN 55 lone 2 60 - 3 - 4.1/5100=1 HG3 GLU 33 - HG2 GLN 55 lone 1 78 - 2 - HG2 GLU 22 - HG2 GLN 55 lone 1 60 - 2 - HB3 GLU 77 - HB VAL 52 lone 1 56 - 2 - HG3 GLU 33 - HB VAL 52 lone 1 73 - 1 - HG2 GLU 22 - HB VAL 52 lone 1 56 - 1 - Peak 2599 from cnoeabs.peaks (6.80, 2.17, 33.96 ppm; 4.27 A): 2 out of 6 assignments used, quality = 1.00: * HE21 GLN 55 + HG2 GLN 55 OK 100 100 - 100 - 3.5=100 HE21 GLN 55 + HB VAL 52 OK 50 98 - 52 - 486=12, 1.7/494=11...(10) QE TYR 70 - HG2 GLN 55 OK 25 100 - 25 - 2607/1.8=7, 2583/2.9=4...(7) QD TYR 32 - HG2 GLN 55 OK 12 78 - 15 - 2607/1.8=3, 4613/5118=2...(6) QD TYR 32 - HB VAL 52 OK 10 73 - 14 - 4613/5118=4, 5107/2.1=3...(4) QE TYR 70 - HB VAL 52 lone 8 97 - 9 - 5107/2.1=1, 5107/2.1=1 Peak 2600 from cnoeabs.peaks (7.54, 2.17, 33.96 ppm; 3.72 A): 1 out of 8 assignments used, quality = 1.00: * HE22 GLN 55 + HG2 GLN 55 OK 100 100 - 100 - 3.5=100 HE22 GLN 55 - HB VAL 52 OK 40 98 - 41 - 494=11, 1.7/486=10...(9) H ALA 69 - HG2 GLN 55 OK 14 90 - 15 - 2608/1.8=4, 489/3.5=3...(5) H ASN 63 - HG2 GLN 55 lone 8 92 - 9 - 2608/1.8=2, 489/3.5=2...(5) H ALA 69 - HB VAL 52 lone 4 86 - 5 - H SER 36 - HG2 GLN 55 lone 3 71 - 5 - 2608/1.8=1 H ASN 63 - HB VAL 52 lone 2 87 - 2 - H SER 36 - HB VAL 52 lone 1 66 - 2 - Peak 2601 from cnoeabs.peaks (8.02, 2.04, 33.96 ppm; 4.00 A): 1 out of 1 assignment used, quality = 0.93: * H GLN 55 + HG3 GLN 55 OK 93 100 - 93 - 4.9=54, 2577/2.9=28...(13) Peak 2602 from cnoeabs.peaks (4.42, 2.04, 33.96 ppm; 3.74 A): 1 out of 5 assignments used, quality = 0.99: * HA GLN 55 + HG3 GLN 55 OK 99 100 - 99 - 3.8=95, 2.9/2601=27...(15) HA ARG 28 - HG3 GLN 55 OK 17 97 - 18 - 2586/2.9=3, 2578/2.9=3...(6) HA TYR 70 - HG3 GLN 55 OK 15 83 - 19 - 3123/3.5=3, 2586/2.9=3...(7) HA PRO 81 - HG3 GLN 55 lone 10 100 - 10 - 2578/2.9=2, 2586/2.9=2...(5) HA3 GLY 59 - HG3 GLN 55 lone 2 60 - 4 - Peak 2603 from cnoeabs.peaks (2.04, 2.04, 33.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG3 GLN 55 + HG3 GLN 55 OK 100 100 - 100 Reference assignment not found: HB2 GLN 55 - HG3 GLN 55 Peak 2604 from cnoeabs.peaks (1.75, 2.04, 33.96 ppm; 3.18 A): 1 out of 10 assignments used, quality = 1.00: * HB3 GLN 55 + HG3 GLN 55 OK 100 100 - 100 - 2.9=100 HB3 LYS 65 - HG3 GLN 55 OK 23 93 - 24 - 2589/1.8=3, 2580/2.9=3...(10) HB2 LEU 73 - HG3 GLN 55 OK 20 100 - 20 - 2580/2.9=2, 4206/3.8=2...(7) HB3 ARG 28 - HG3 GLN 55 OK 12 89 - 13 - 3.0/2602=2, 2572/3.8=2...(4) HB3 MET 48 - HG3 GLN 55 OK 12 100 - 12 - 4908/3.5=2, 2580/2.9=1...(5) QB ALA 74 - HG3 GLN 55 poor 8 68 - 12 - 3.4/865=1, 2596/1.8=1...(4) QE MET 11 - HG3 GLN 55 lone 8 85 - 9 - 4247/3.5=3 HB2 ARG 27 - HG3 GLN 55 lone 5 68 - 7 - HB2 LYS 17 - HG3 GLN 55 lone 3 63 - 5 - HB3 LYS 17 - HG3 GLN 55 lone 3 60 - 5 - Peak 2605 from cnoeabs.peaks (2.17, 2.04, 33.96 ppm; 2.66 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 55 + HG3 GLN 55 OK 100 100 - 100 - 1.8=100 HB VAL 52 - HG3 GLN 55 OK 37 100 - 37 - 2595=5, 2581/2.9=3...(16) HB3 MET 21 - HG3 GLN 55 OK 32 90 - 35 - 1526=4, 2581/2.9=3...(18) Peak 2606 from cnoeabs.peaks (2.04, 2.04, 33.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 55 + HG3 GLN 55 OK 100 100 - 100 Peak 2607 from cnoeabs.peaks (6.80, 2.04, 33.96 ppm; 4.59 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 55 + HG3 GLN 55 OK 100 100 - 100 - 3.5=100 QE TYR 70 - HG3 GLN 55 OK 27 100 - 27 - 2599/1.8=5, 2583/2.9=5...(7) QD TYR 32 - HG3 GLN 55 OK 11 78 - 14 - 2599/1.8=2, 496/3.5=2...(5) Peak 2608 from cnoeabs.peaks (7.54, 2.04, 33.96 ppm; 4.26 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 55 + HG3 GLN 55 OK 100 100 - 100 - 3.5=100 H ALA 69 - HG3 GLN 55 OK 16 90 - 18 - 489/3.5=4, 2600/1.8=4...(5) H ASN 63 - HG3 GLN 55 OK 10 92 - 11 - 2600/1.8=2, 2584/2.9=2...(5) H SER 36 - HG3 GLN 55 lone 5 71 - 6 - Peak 2609 from cnoeabs.peaks (8.20, 4.66, 55.29 ppm; 4.00 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 56 + HA LYS 56 OK 100 100 - 100 - 3.0=100 HE21 GLN 58 + HA LYS 56 OK 54 97 - 56 - 3.5/5286=8, 2619/3.0=8...(23) H LEU 79 - HA LYS 56 OK 31 98 - 32 - 2619/3.0=5, 2629/3.0=5...(10) H LEU 87 - HA LYS 56 OK 19 97 - 20 - 2619/3.0=3, 2629/3.0=3...(8) H GLU 22 - HA LYS 56 poor 9 60 - 15 - 4445=2, 2619/3.0=2...(5) Peak 2610 from cnoeabs.peaks (4.66, 4.66, 55.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 56 + HA LYS 56 OK 100 100 - 100 Peak 2611 from cnoeabs.peaks (1.50, 4.66, 55.29 ppm; 3.82 A): 4 out of 13 assignments used, quality = 1.00: * HB2 LYS 56 + HA LYS 56 OK 100 100 - 100 - 3.0=100 HG LEU 34 + HA LYS 56 OK 57 93 - 61 - 2.1/2613=12, 2094/4.0=7...(24) HD3 LYS 17 + HA LYS 56 OK 47 99 - 48 - 2631/3.0=5, 3.0/2614=4...(25) HD2 LYS 17 + HA LYS 56 OK 47 99 - 48 - 2631/3.0=5, 3.0/2614=4...(25) QB ALA 71 - HA LYS 56 OK 20 85 - 23 - 5624/4998=2, 5662/5000=2...(10) HG LEU 79 - HA LYS 56 OK 20 68 - 29 - ~3405=4, ~3412=4...(10) HG3 ARG 27 - HA LYS 56 OK 17 89 - 19 - 2631/3.0=2, 2641/4.0=1...(8) QB ALA 72 - HA LYS 56 OK 16 99 - 16 - 5672/4.0=2, 5675/5001=2...(6) HD3 LYS 64 - HA LYS 56 OK 15 76 - 19 - 2879/3.0=2, ~2869=2...(7) HB3 LYS 26 - HA LYS 56 OK 12 89 - 14 - 2631/3.0=1 HG2 GLU 37 - HA LYS 56 OK 11 100 - 11 - 4776/4.0=2, 2631/3.0=1 HB2 LEU 85 - HA LYS 56 lone 8 96 - 8 - 760/3.0=1 HB2 ARG 45 - HA LYS 56 lone 4 99 - 4 - Peak 2612 from cnoeabs.peaks (1.38, 4.66, 55.29 ppm; 3.75 A): 3 out of 11 assignments used, quality = 1.00: * HB3 LYS 56 + HA LYS 56 OK 100 100 - 100 - 3.0=100 HD3 LYS 56 + HA LYS 56 OK 80 92 - 87 - 5.3=35, 3.0/2613=15...(38) HG2 LYS 44 + HA LYS 56 OK 46 99 - 47 - 2622/3.0=6, 2283/4.0=5...(22) HG2 LYS 68 - HA LYS 56 OK 23 97 - 23 - 3056/4.0=3, 2622/3.0=3...(11) HB2 LYS 64 - HA LYS 56 OK 18 90 - 19 - 2622/3.0=2, 4.6/5452=1...(9) QB ALA 69 - HA LYS 56 OK 12 99 - 12 - ~4200=2, 2622/3.0=2, ~3115=1 HB3 LEU 12 - HA LYS 56 OK 11 100 - 11 - 2622/3.0=1 QB ALA 67 - HA LYS 56 lone 10 99 - 10 - 5507/4.0=2, 2622/3.0=1 QB ALA 89 - HA LYS 56 lone 5 78 - 6 - 3.6/936=4 HG3 LYS 91 - HA LYS 56 lone 4 65 - 6 - 4.6/429=2 HG2 LYS 91 - HA LYS 56 lone 4 65 - 6 - 4.6/429=2 Peak 2613 from cnoeabs.peaks (1.07, 4.66, 55.29 ppm; 3.72 A): 2 out of 4 assignments used, quality = 0.98: * HG2 LYS 56 + HA LYS 56 OK 95 100 - 95 - 4.0=80, 762/3.0=15...(28) QD2 LEU 34 + HA LYS 56 OK 63 99 - 64 - 2623/3.0=10, 2633/3.0=10...(27) QG2 THR 38 - HA LYS 56 OK 13 96 - 13 - 4789/3.0=3, 2633/3.0=2...(5) QG2 VAL 66 - HA LYS 56 OK 11 68 - 16 - 2633/3.0=3, 2623/3.0=2...(5) Peak 2614 from cnoeabs.peaks (1.28, 4.66, 55.29 ppm; 4.40 A): 3 out of 9 assignments used, quality = 1.00: * HG3 LYS 56 + HA LYS 56 OK 100 100 - 100 - 4.0=100 HG3 LYS 17 + HA LYS 56 OK 56 98 - 57 - 2624/3.0=7, 2634/3.0=6...(30) HD3 LYS 44 + HA LYS 56 OK 54 97 - 56 - 2634/3.0=7, 2624/3.0=7...(20) HB3 LYS 68 - HA LYS 56 OK 31 95 - 32 - 2634/3.0=5, 2624/3.0=4...(13) HB2 LEU 79 - HA LYS 56 OK 25 63 - 39 - 3384/3.0=5, ~3391=5...(16) HG3 LYS 65 - HA LYS 56 OK 22 90 - 25 - 2650=3, 2653/4.0=3...(11) HG3 LYS 31 - HA LYS 56 OK 17 83 - 20 - 2624/3.0=2, 2644/4.0=2...(9) HB3 LEU 23 - HA LYS 56 OK 15 83 - 18 - 763/3.0=2, 2624/3.0=2...(8) HB2 LYS 26 - HA LYS 56 OK 10 60 - 17 - 1.8/2615=2, 2624/3.0=2...(4) Peak 2615 from cnoeabs.peaks (1.53, 4.66, 55.29 ppm; 4.31 A): 3 out of 13 assignments used, quality = 0.99: * HD2 LYS 56 + HA LYS 56 OK 95 100 - 95 - 5.3=54, 3.0/2613=19...(37) HG LEU 34 + HA LYS 56 OK 63 89 - 71 - 2.1/2613=15, 2094/4.0=9...(25) HB3 LYS 44 + HA LYS 56 OK 51 98 - 53 - 2270/3.0=7, 6081=5...(19) HD3 LYS 17 - HA LYS 56 OK 43 76 - 57 - 3.0/2614=5, 2625/3.0=5...(29) HD2 LYS 17 - HA LYS 56 OK 43 76 - 57 - 3.0/2614=5, 2625/3.0=5...(29) QB ALA 71 - HA LYS 56 OK 32 96 - 33 - 5624/4998=4, 5662/5000=3...(13) HD3 LYS 64 - HA LYS 56 OK 29 99 - 29 - 2879/3.0=4, 2625/3.0=3...(13) HG3 ARG 27 - HA LYS 56 OK 25 93 - 27 - 2625/3.0=3, 2635/3.0=2...(15) HB3 LEU 87 - HA LYS 56 OK 19 100 - 18 - 3.9/2609=3, 3633/3.0=2...(5) HB3 LYS 26 - HA LYS 56 OK 18 93 - 19 - 2625/3.0=2, 2635/3.0=1...(7) HG LEU 30 - HA LYS 56 OK 16 99 - 16 - 4583/5001=3, 5112/6054=1...(7) HB2 LEU 85 - HA LYS 56 poor 9 85 - 11 - 3633/3.0=1 HB2 ARG 45 - HA LYS 56 lone 4 76 - 5 - Peak 2616 from cnoeabs.peaks (1.39, 4.66, 55.29 ppm; 3.76 A): 2 out of 11 assignments used, quality = 0.99: HB3 LYS 56 + HA LYS 56 OK 92 92 - 100 - 3.0=100 * HD3 LYS 56 + HA LYS 56 OK 88 100 - 88 - 5.3=36, 3.0/2613=15...(38) HG2 LYS 44 - HA LYS 56 OK 33 76 - 44 - 2622/3.0=5, 3.0/2614=4...(21) HB3 LEU 34 - HA LYS 56 OK 33 60 - 54 - 3.1/2613=10, 4.0/3991=5...(23) HD2 LYS 44 - HA LYS 56 OK 27 63 - 43 - 1.8/2614=5, 2300/3.0=4...(20) HG2 LYS 68 - HA LYS 56 OK 15 71 - 21 - 2622/3.0=2, 2.9/2614=2...(10) HG2 LYS 31 - HA LYS 56 OK 12 92 - 13 - 1953/4.0=2, 2646/4.0=2...(6) HG2 ARG 27 - HA LYS 56 OK 12 71 - 17 - 2626/3.0=2, 1.8/2615=2...(5) QB ALA 69 - HA LYS 56 OK 11 99 - 11 - ~4200=2, 2626/3.0=1, ~3115=1 HB3 LEU 12 - HA LYS 56 lone 9 89 - 10 - QB ALA 67 - HA LYS 56 lone 6 78 - 8 - 5507/4.0=2 Peak 2619 from cnoeabs.peaks (8.20, 1.50, 34.15 ppm; 3.53 A): 2 out of 5 assignments used, quality = 0.95: * H LYS 56 + HB2 LYS 56 OK 90 100 - 90 - 4.0=69, 761/1.8=15...(19) HE21 GLN 58 + HB2 LYS 56 OK 49 97 - 52 - 2629/1.8=8, 2609/3.0=6...(19) H LEU 79 - HB2 LYS 56 OK 31 98 - 32 - 2629/1.8=5, 2639/2.9=4...(9) H LEU 87 - HB2 LYS 56 OK 19 97 - 19 - 2629/1.8=3, 2639/2.9=2...(6) H GLU 22 - HB2 LYS 56 OK 11 60 - 19 - 3.0/6122=2, 4.0/6121=2...(9) Peak 2620 from cnoeabs.peaks (4.66, 1.50, 34.15 ppm; 4.10 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 56 + HB2 LYS 56 OK 100 100 - 100 - 3.0=100 HA PHE 57 + HB2 LYS 56 OK 85 98 - 87 - 2630/1.8=13, 248/4.6=12...(52) HA ASN 90 - HB2 LYS 56 OK 44 99 - 44 - 2630/1.8=7, 2640/2.9=5...(17) HA GLU 33 - HB2 LYS 56 OK 18 60 - 30 - 3.6/3992=6, 3911/4.6=3...(10) HA HIS 42 - HB2 LYS 56 lone 1 60 - 2 - Peak 2621 from cnoeabs.peaks (1.50, 1.50, 34.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 56 + HB2 LYS 56 OK 100 100 - 100 Peak 2622 from cnoeabs.peaks (1.38, 1.50, 34.15 ppm; 2.87 A): 3 out of 11 assignments used, quality = 1.00: * HB3 LYS 56 + HB2 LYS 56 OK 100 100 - 100 - 1.8=100 HD3 LYS 56 + HB2 LYS 56 OK 73 92 - 80 - 3.4=59, 1.8/2625=7...(23) HG2 LYS 44 + HB2 LYS 56 OK 46 99 - 47 - 2283/2.9=4, 2642/2.9=3...(19) HG2 LYS 68 - HB2 LYS 56 OK 22 97 - 23 - 3056/2.9=2, 2.9/2624=2...(8) HB2 LYS 64 - HB2 LYS 56 OK 17 90 - 19 - 2642/2.9=1, ~5423=1, ~2839=1 QB ALA 69 - HB2 LYS 56 OK 13 99 - 13 - 2.1/4200=2 QB ALA 67 - HB2 LYS 56 lone 9 99 - 9 - 5507/2.9=1 HB3 LEU 12 - HB2 LYS 56 lone 9 100 - 9 - HG2 LYS 91 - HB2 LYS 56 lone 2 65 - 3 - HG3 LYS 91 - HB2 LYS 56 lone 2 65 - 3 - QB ALA 89 - HB2 LYS 56 lone 1 78 - 2 - Peak 2623 from cnoeabs.peaks (1.07, 1.50, 34.15 ppm; 3.82 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 56 + HB2 LYS 56 OK 100 100 - 100 - 2.9=100 QD2 LEU 34 + HB2 LYS 56 OK 84 99 - 85 - 2633/1.8=14, 2613/3.0=10...(46) QG2 THR 38 - HB2 LYS 56 OK 22 96 - 22 - 4789=5, 2633/1.8=3...(10) QG2 VAL 66 - HB2 LYS 56 OK 16 68 - 23 - 2633/1.8=3, 5466/3.4=2...(10) Peak 2624 from cnoeabs.peaks (1.28, 1.50, 34.15 ppm; 3.52 A): 3 out of 9 assignments used, quality = 1.00: * HG3 LYS 56 + HB2 LYS 56 OK 100 100 - 100 - 2.9=100 HG3 LYS 17 + HB2 LYS 56 OK 62 98 - 63 - 2634/1.8=6, 2644/2.9=5...(32) HD3 LYS 44 + HB2 LYS 56 OK 59 97 - 61 - 2634/1.8=7, 2644/2.9=5...(36) HB3 LYS 68 - HB2 LYS 56 OK 35 95 - 37 - 2634/1.8=4, 2644/2.9=3...(16) HG3 LYS 65 - HB2 LYS 56 OK 22 90 - 24 - 2653/2.9=2, 2634/1.8=2...(7) HG3 LYS 31 - HB2 LYS 56 OK 21 83 - 25 - 2644/2.9=2, 2634/1.8=2...(8) HB3 LEU 23 - HB2 LYS 56 OK 15 83 - 18 - 3.1/4478=2, 1.8/4472=1...(5) HB2 LEU 79 - HB2 LYS 56 OK 15 63 - 24 - 4.0/2619=3, 3384/4.0=2...(8) HB2 LYS 26 - HB2 LYS 56 OK 13 60 - 22 - 1.8/2625=2, 2634/1.8=1, 1681=1 Peak 2625 from cnoeabs.peaks (1.53, 1.50, 34.15 ppm; 3.04 A): 3 out of 13 assignments used, quality = 0.96: * HD2 LYS 56 + HB2 LYS 56 OK 86 100 - 86 - 3.4=70, 1.8/2671=12...(24) HG LEU 34 + HB2 LYS 56 OK 51 89 - 58 - 2.1/2623=8, 2094/2.9=6...(27) HB3 LYS 44 + HB2 LYS 56 OK 44 98 - 45 - 2270/1.8=6, 2.9/2622=4...(19) HD2 LYS 17 - HB2 LYS 56 OK 39 76 - 52 - 3.0/2624=4, 2635/1.8=3...(25) HD3 LYS 17 - HB2 LYS 56 OK 39 76 - 52 - 3.0/2624=4, 2635/1.8=3...(25) HD3 LYS 64 - HB2 LYS 56 OK 22 99 - 23 - 2879/1.8=3, 1.8/2874=2...(6) HG3 ARG 27 - HB2 LYS 56 OK 22 93 - 23 - 1.8/1787=2, 2635/1.8=2...(7) QB ALA 71 - HB2 LYS 56 OK 18 96 - 19 - 2635/1.8=1, 5652/4.8=1...(6) HB3 LYS 26 - HB2 LYS 56 OK 13 93 - 14 - 1.8/1681=1, 2635/1.8=1 HB3 LEU 87 - HB2 LYS 56 lone 9 100 - 9 - 3.9/2619=1 HG LEU 30 - HB2 LYS 56 lone 6 99 - 6 - HB2 LEU 85 - HB2 LYS 56 lone 5 85 - 6 - HB2 ARG 45 - HB2 LYS 56 lone 3 76 - 4 - Peak 2626 from cnoeabs.peaks (1.39, 1.50, 34.15 ppm; 3.02 A): 2 out of 11 assignments used, quality = 0.99: HB3 LYS 56 + HB2 LYS 56 OK 92 92 - 100 - 1.8=100 * HD3 LYS 56 + HB2 LYS 56 OK 86 100 - 86 - 3.4=68, 1.8/2625=8...(28) HG2 LYS 44 - HB2 LYS 56 OK 37 76 - 49 - 3.0/2624=3, 2283/2.9=3...(23) HB3 LEU 34 - HB2 LYS 56 OK 35 60 - 58 - 3.1/2623=6, 2087/2.9=4...(33) HD2 LYS 44 - HB2 LYS 56 OK 29 63 - 47 - 1.8/2624=5, 2300/1.8=4...(22) HG2 ARG 27 - HB2 LYS 56 OK 18 71 - 26 - 1.8/2625=2, 1787=2...(6) HG2 LYS 68 - HB2 LYS 56 OK 16 71 - 23 - 2.9/2624=2, 3056/2.9=2...(9) HG2 LYS 31 - HB2 LYS 56 OK 16 92 - 18 - 1953/2.9=2, 1.8/2624=2...(4) QB ALA 69 - HB2 LYS 56 OK 14 99 - 14 - 2.1/4200=3, ~3115=1, 2.9/5580=1 HB3 LEU 12 - HB2 LYS 56 lone 8 89 - 9 - QB ALA 67 - HB2 LYS 56 lone 7 78 - 9 - 5507/2.9=1 Peak 2627 from cnoeabs.peaks (2.82, 1.50, 34.15 ppm; 5.34 A): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 56 + HB2 LYS 56 OK 100 100 - 100 - 4.8=100 HE3 LYS 56 + HB2 LYS 56 OK 100 100 - 100 - 4.8=100 HB3 PHE 57 + HB2 LYS 56 OK 82 96 - 86 - 3.0/2620=15, 256/4.6=13...(24) HB2 ASN 90 + HB2 LYS 56 OK 45 90 - 50 - 3.0/2620=8, ~3692=7...(15) Peak 2628 from cnoeabs.peaks (2.81, 1.50, 34.15 ppm; 5.33 A): 3 out of 5 assignments used, quality = 1.00: * HE3 LYS 56 + HB2 LYS 56 OK 100 100 - 100 - 4.8=100 HE2 LYS 56 + HB2 LYS 56 OK 100 100 - 100 - 4.8=100 HB3 PHE 57 + HB2 LYS 56 OK 84 99 - 86 - 3.0/2620=15, 771/4.6=13...(24) HB2 ASN 90 - HB2 LYS 56 OK 41 83 - 49 - 3.0/2620=8, ~3692=7...(15) HB3 ASP 53 - HB2 LYS 56 OK 13 60 - 22 - 4.6/3992=4, 3983/4.6=4...(6) Peak 2629 from cnoeabs.peaks (8.20, 1.38, 34.15 ppm; 3.80 A): 2 out of 5 assignments used, quality = 0.98: * H LYS 56 + HB3 LYS 56 OK 96 100 - 96 - 4.0=85, 2619/1.8=18...(19) HE21 GLN 58 + HB3 LYS 56 OK 56 97 - 58 - 2619/1.8=10, 5304=8...(20) H LEU 79 - HB3 LYS 56 OK 33 98 - 33 - 2619/1.8=6, 2639/2.9=4...(9) H LEU 87 - HB3 LYS 56 OK 20 97 - 20 - 2619/1.8=4, 2639/2.9=3...(7) H GLU 22 - HB3 LYS 56 poor 9 60 - 15 - 2619/1.8=2, ~6122=2...(6) Peak 2630 from cnoeabs.peaks (4.66, 1.38, 34.15 ppm; 3.99 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 56 + HB3 LYS 56 OK 100 100 - 100 - 3.0=100 HA PHE 57 + HB3 LYS 56 OK 82 98 - 83 - 2620/1.8=12, 248/4.6=11...(48) HA ASN 90 - HB3 LYS 56 OK 42 99 - 42 - 2620/1.8=6, 2640/2.9=5...(17) HA GLU 33 - HB3 LYS 56 OK 17 60 - 29 - 3.6/3993=6, 3911/4.6=3...(11) HA HIS 42 - HB3 LYS 56 lone 1 60 - 2 - Peak 2631 from cnoeabs.peaks (1.50, 1.38, 34.15 ppm; 2.93 A): 4 out of 13 assignments used, quality = 1.00: * HB2 LYS 56 + HB3 LYS 56 OK 100 100 - 100 - 1.8=100 HG LEU 34 + HB3 LYS 56 OK 51 93 - 55 - 2.1/2633=7, 2094/2.9=5...(30) HD3 LYS 17 + HB3 LYS 56 OK 45 99 - 46 - 2671/3.4=3, 3.0/2634=3...(18) HD2 LYS 17 + HB3 LYS 56 OK 45 99 - 46 - 2671/3.4=3, 3.0/2634=3...(18) HG3 ARG 27 - HB3 LYS 56 OK 15 89 - 17 - 2671/3.4=1, 2641/2.9=1, ~1787=1 HD3 LYS 64 - HB3 LYS 56 OK 14 76 - 19 - 2879=2, 1.8/2869=2...(5) QB ALA 72 - HB3 LYS 56 OK 11 99 - 12 - 5672/2.9=2 QB ALA 71 - HB3 LYS 56 OK 11 85 - 13 - 2.9/5642=1, 5652/4.8=1 HG LEU 79 - HB3 LYS 56 OK 10 68 - 15 - 2.1/6177=2, 5.0/2629=1 HB3 LYS 26 - HB3 LYS 56 OK 10 89 - 11 - HG2 GLU 37 - HB3 LYS 56 lone 9 100 - 9 - 4776/2.9=1 HB2 LEU 85 - HB3 LYS 56 lone 4 96 - 4 - HB2 ARG 45 - HB3 LYS 56 lone 4 99 - 4 - Peak 2632 from cnoeabs.peaks (1.38, 1.38, 34.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 56 + HB3 LYS 56 OK 100 100 - 100 Peak 2633 from cnoeabs.peaks (1.07, 1.38, 34.15 ppm; 3.85 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 56 + HB3 LYS 56 OK 100 100 - 100 - 2.9=100 QD2 LEU 34 + HB3 LYS 56 OK 82 99 - 83 - 2623/1.8=14, 2613/3.0=10...(45) QG2 VAL 66 - HB3 LYS 56 OK 20 68 - 30 - 5465=3, 2623/1.8=3...(12) QG2 THR 38 - HB3 LYS 56 OK 18 96 - 18 - 4789/1.8=4, 2613/3.0=2...(8) Peak 2634 from cnoeabs.peaks (1.28, 1.38, 34.15 ppm; 3.58 A): 3 out of 9 assignments used, quality = 1.00: * HG3 LYS 56 + HB3 LYS 56 OK 100 100 - 100 - 2.9=100 HD3 LYS 44 + HB3 LYS 56 OK 67 97 - 70 - 1.8/2300=8, 2310=7...(42) HG3 LYS 17 + HB3 LYS 56 OK 59 98 - 60 - 2624/1.8=7, 2644/2.9=6...(32) HB3 LYS 68 - HB3 LYS 56 OK 43 95 - 45 - 3047=5, 2624/1.8=4...(22) HG3 LYS 65 - HB3 LYS 56 OK 22 90 - 25 - 2653/2.9=3, 2624/1.8=2...(8) HG3 LYS 31 - HB3 LYS 56 OK 22 83 - 26 - 2644/2.9=2, 2624/1.8=2...(8) HB2 LEU 79 - HB3 LYS 56 OK 15 63 - 24 - 4.0/2629=3, 3384/4.0=3...(9) HB3 LEU 23 - HB3 LYS 56 OK 14 83 - 16 - 2624/1.8=2, 1.8/5214=1...(6) HB2 LYS 26 - HB3 LYS 56 OK 12 60 - 19 - 1.8/2635=1, 2624/1.8=1, ~2625=1 Peak 2635 from cnoeabs.peaks (1.53, 1.38, 34.15 ppm; 3.17 A): 3 out of 13 assignments used, quality = 0.98: * HD2 LYS 56 + HB3 LYS 56 OK 91 100 - 91 - 3.4=79, 2625/1.8=9...(24) HB3 LYS 44 + HB3 LYS 56 OK 56 98 - 58 - 2270=8, 2625/1.8=4...(26) HG LEU 34 + HB3 LYS 56 OK 55 89 - 62 - 2.1/2633=9, 2094/2.9=6...(31) HD3 LYS 17 - HB3 LYS 56 OK 39 76 - 52 - 2625/1.8=4, 3.0/2634=4...(28) HD2 LYS 17 - HB3 LYS 56 OK 39 76 - 52 - 2625/1.8=4, 3.0/2634=4...(28) HD3 LYS 64 - HB3 LYS 56 OK 26 99 - 26 - 2879=3, 1.8/2869=2...(9) HG3 ARG 27 - HB3 LYS 56 OK 20 93 - 22 - 2625/1.8=2, 1794/3.4=2...(5) QB ALA 71 - HB3 LYS 56 OK 17 96 - 17 - 2625/1.8=2, 2.9/5642=1...(7) HB3 LYS 26 - HB3 LYS 56 OK 13 93 - 14 - 2625/1.8=1 HB3 LEU 87 - HB3 LYS 56 lone 9 100 - 9 - 3.9/2629=1, 3633/4.0=1 HG LEU 30 - HB3 LYS 56 lone 6 99 - 6 - HB2 LEU 85 - HB3 LYS 56 lone 5 85 - 5 - HB2 ARG 45 - HB3 LYS 56 lone 3 76 - 4 - Peak 2636 from cnoeabs.peaks (1.39, 1.38, 34.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: HB3 LYS 56 + HB3 LYS 56 OK 92 92 - 100 Reference assignment not found: HD3 LYS 56 - HB3 LYS 56 Peak 2637 from cnoeabs.peaks (2.82, 1.38, 34.15 ppm; 5.38 A): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 56 + HB3 LYS 56 OK 100 100 - 100 - 4.8=100 HE3 LYS 56 + HB3 LYS 56 OK 100 100 - 100 - 4.8=100 HB3 PHE 57 + HB3 LYS 56 OK 80 96 - 84 - 3.0/2630=15, 256/4.6=13...(22) HB2 ASN 90 + HB3 LYS 56 OK 47 90 - 52 - 3.0/2630=8, ~3692=7...(16) Peak 2638 from cnoeabs.peaks (2.81, 1.38, 34.15 ppm; 5.54 A): 3 out of 5 assignments used, quality = 1.00: * HE3 LYS 56 + HB3 LYS 56 OK 100 100 - 100 - 4.8=100 HE2 LYS 56 + HB3 LYS 56 OK 100 100 - 100 - 4.8=100 HB3 PHE 57 + HB3 LYS 56 OK 84 99 - 85 - 3.0/2630=16, 771/4.6=14...(22) HB2 ASN 90 - HB3 LYS 56 OK 44 83 - 53 - 3.0/2630=8, ~3692=8...(16) HB3 ASP 53 - HB3 LYS 56 OK 11 60 - 18 - 4.6/3993=4, 3983/4.6=4...(4) Peak 2639 from cnoeabs.peaks (8.20, 1.07, 25.28 ppm; 4.00 A): 2 out of 5 assignments used, quality = 0.95: * H LYS 56 + HG2 LYS 56 OK 91 100 - 91 - 4.7=61, 3.0/2613=17...(17) HE21 GLN 58 + HG2 LYS 56 OK 46 97 - 48 - 2619/2.9=8, 2629/2.9=8...(16) H LEU 79 - HG2 LYS 56 OK 32 98 - 33 - 2619/2.9=5, 2629/2.9=5...(10) H LEU 87 - HG2 LYS 56 OK 20 97 - 21 - 2619/2.9=3, 2629/2.9=3...(6) H GLU 22 - HG2 LYS 56 OK 12 60 - 19 - 4.0/4453=3, 4.0/4450=3...(9) Peak 2640 from cnoeabs.peaks (4.66, 1.07, 25.28 ppm; 3.94 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 56 + HG2 LYS 56 OK 99 100 - 99 - 4.0=96, 3.0/762=16...(29) HA PHE 57 + HG2 LYS 56 OK 76 98 - 78 - 2630/2.9=10, 2620/2.9=10...(38) HA ASN 90 - HG2 LYS 56 OK 38 99 - 38 - 2630/2.9=5, 2620/2.9=5...(16) HA GLU 33 - HG2 LYS 56 OK 17 60 - 28 - 3.6/666=9, 3.0/5216=2...(8) HA HIS 42 - HG2 LYS 56 lone 1 60 - 2 - Peak 2641 from cnoeabs.peaks (1.50, 1.07, 25.28 ppm; 3.32 A): 4 out of 13 assignments used, quality = 1.00: * HB2 LYS 56 + HG2 LYS 56 OK 100 100 - 100 - 2.9=100 HG LEU 34 + HG2 LYS 56 OK 65 93 - 70 - 2094=11, 2.1/2108=8...(34) HD2 LYS 17 + HG2 LYS 56 OK 56 99 - 57 - 3.0/2644=5, 2671/3.0=5...(35) HD3 LYS 17 + HG2 LYS 56 OK 56 99 - 57 - 3.0/2644=5, 2671/3.0=5...(35) HG3 ARG 27 - HG2 LYS 56 OK 22 89 - 24 - 2.9/5215=3, 2671/3.0=2...(6) HD3 LYS 64 - HG2 LYS 56 OK 17 76 - 22 - 2879/2.9=2, 5.0/5423=2...(7) HG2 GLU 37 - HG2 LYS 56 OK 14 100 - 14 - 4776=2, 1.8/4777=1, 4.9/4780=1 QB ALA 72 - HG2 LYS 56 OK 12 99 - 13 - 5672/1.8=3, 2631/2.9=1 HB3 LYS 26 - HG2 LYS 56 OK 12 89 - 13 - 1690/1.8=1 HG LEU 79 - HG2 LYS 56 OK 11 68 - 16 - 5.0/2639=2, 3398/4.7=1, ~6177=1 QB ALA 71 - HG2 LYS 56 OK 11 85 - 13 - 5652/3.6=2, 5652/3.6=2 HB2 LEU 85 - HG2 LYS 56 lone 5 96 - 5 - HB2 ARG 45 - HG2 LYS 56 lone 4 99 - 4 - Peak 2642 from cnoeabs.peaks (1.38, 1.07, 25.28 ppm; 3.28 A): 3 out of 11 assignments used, quality = 1.00: * HB3 LYS 56 + HG2 LYS 56 OK 100 100 - 100 - 2.9=100 HD3 LYS 56 + HG2 LYS 56 OK 92 92 - 100 - 3.0=100 HG2 LYS 44 + HG2 LYS 56 OK 58 99 - 59 - 2283/1.8=7, 3.0/2644=5...(34) HG2 LYS 68 - HG2 LYS 56 OK 28 97 - 29 - 3056/1.8=4, 2.9/2644=2...(9) HB2 LYS 64 - HG2 LYS 56 OK 21 90 - 23 - 4.6/5453=3, 3.0/5423=2...(8) QB ALA 69 - HG2 LYS 56 OK 13 99 - 13 - ~321=2, ~4200=1, 2622/2.9=1 QB ALA 67 - HG2 LYS 56 OK 12 99 - 13 - 5507=2, 2.9/313=1, 4172/5423=1 HB3 LEU 12 - HG2 LYS 56 OK 10 100 - 10 - HG2 LYS 91 - HG2 LYS 56 lone 3 65 - 5 - HG3 LYS 91 - HG2 LYS 56 lone 3 65 - 5 - QB ALA 89 - HG2 LYS 56 lone 2 78 - 2 - Peak 2643 from cnoeabs.peaks (1.07, 1.07, 25.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 56 + HG2 LYS 56 OK 100 100 - 100 Peak 2644 from cnoeabs.peaks (1.28, 1.07, 25.28 ppm; 2.78 A): 1 out of 9 assignments used, quality = 1.00: * HG3 LYS 56 + HG2 LYS 56 OK 100 100 - 100 - 1.8=100 HG3 LYS 17 - HG2 LYS 56 OK 42 98 - 43 - 2653=5, 1.8/2108=4...(13) HD3 LYS 44 - HG2 LYS 56 OK 41 97 - 43 - 2674/3.0=3, 2310/2.9=3...(24) HB3 LYS 68 - HG2 LYS 56 OK 21 95 - 22 - 2634/2.9=2, ~3036=2...(7) HG3 LYS 65 - HG2 LYS 56 OK 18 90 - 20 - 2653=4, 5.0/5453=2...(6) HG3 LYS 31 - HG2 LYS 56 OK 17 83 - 20 - 1.8/2646=2, 1962/3.0=1...(8) HB2 LEU 79 - HG2 LYS 56 poor 7 63 - 12 - 4.0/2639=2, 3384/4.7=1 HB3 LEU 23 - HG2 LYS 56 lone 7 83 - 9 - HB2 LYS 26 - HG2 LYS 56 lone 6 60 - 9 - Peak 2645 from cnoeabs.peaks (1.53, 1.07, 25.28 ppm; 3.42 A): 3 out of 13 assignments used, quality = 1.00: * HD2 LYS 56 + HG2 LYS 56 OK 100 100 - 100 - 3.0=100 HG LEU 34 + HG2 LYS 56 OK 64 89 - 72 - 2094=11, 3.0/2080=9...(33) HB3 LYS 44 + HG2 LYS 56 OK 56 98 - 58 - 2273/1.8=6, 2270/2.9=5...(35) HD2 LYS 17 - HG2 LYS 56 OK 45 76 - 59 - 2663=6, 3.0/2644=5...(34) HD3 LYS 17 - HG2 LYS 56 OK 45 76 - 59 - 2663=6, 3.0/2644=5...(34) HD3 LYS 64 - HG2 LYS 56 OK 26 99 - 27 - 2879/2.9=3, 5.0/5423=2...(10) HG3 ARG 27 - HG2 LYS 56 OK 26 93 - 27 - 2.9/5215=3, 1794/3.0=2...(7) QB ALA 71 - HG2 LYS 56 OK 15 96 - 16 - 5652/3.6=2, 5652/3.6=2...(5) HB3 LYS 26 - HG2 LYS 56 OK 14 93 - 15 - 1690/1.8=1, 2625/2.9=1 HB3 LEU 87 - HG2 LYS 56 OK 10 100 - 10 - 3.9/2639=2 HG LEU 30 - HG2 LYS 56 lone 9 99 - 9 - HB2 LEU 85 - HG2 LYS 56 lone 5 85 - 6 - HB2 ARG 45 - HG2 LYS 56 lone 3 76 - 4 - Peak 2646 from cnoeabs.peaks (1.39, 1.07, 25.28 ppm; 3.38 A): 2 out of 11 assignments used, quality = 1.00: * HD3 LYS 56 + HG2 LYS 56 OK 100 100 - 100 - 3.0=100 HB3 LYS 56 + HG2 LYS 56 OK 92 92 - 100 - 2.9=100 HG2 LYS 44 - HG2 LYS 56 OK 45 76 - 59 - 2283/1.8=5, 3.0/2644=5...(36) HB3 LEU 34 - HG2 LYS 56 OK 41 60 - 69 - 1.8/2080=12, 2087=9...(35) HD2 LYS 44 - HG2 LYS 56 OK 37 63 - 59 - 1.8/2644=7, 2303/1.8=4...(35) HG2 LYS 31 - HG2 LYS 56 OK 27 92 - 30 - 1.8/2644=3, 1953/1.8=3...(10) HG2 LYS 68 - HG2 LYS 56 OK 20 71 - 28 - 3056/1.8=3, 2.9/2644=3...(10) HG2 ARG 27 - HG2 LYS 56 OK 19 71 - 27 - 2.9/5215=3, 1.8/2645=2...(7) QB ALA 69 - HG2 LYS 56 OK 13 99 - 13 - ~321=2, ~4200=1, 2626/2.9=1 QB ALA 67 - HG2 LYS 56 poor 9 78 - 11 - 5507=2, 2.9/313=1 HB3 LEU 12 - HG2 LYS 56 lone 9 89 - 10 - Peak 2647 from cnoeabs.peaks (2.82, 1.07, 25.28 ppm; 3.77 A): 3 out of 4 assignments used, quality = 1.00: * HE2 LYS 56 + HG2 LYS 56 OK 100 100 - 100 - 3.6=100 HE3 LYS 56 + HG2 LYS 56 OK 100 100 - 100 - 3.6=100 HB3 PHE 57 + HG2 LYS 56 OK 53 96 - 55 - 3.0/2640=9, 4.0/251=6...(19) HB2 ASN 90 - HG2 LYS 56 OK 24 90 - 27 - 3.0/2640=4, 3686/4.0=3...(12) Peak 2648 from cnoeabs.peaks (2.81, 1.07, 25.28 ppm; 3.73 A): 3 out of 5 assignments used, quality = 1.00: * HE3 LYS 56 + HG2 LYS 56 OK 100 100 - 100 - 3.6=100 HE2 LYS 56 + HG2 LYS 56 OK 100 100 - 100 - 3.6=100 HB3 PHE 57 + HG2 LYS 56 OK 54 99 - 55 - 3.0/2640=9, 4.0/251=6...(19) HB2 ASN 90 - HG2 LYS 56 OK 21 83 - 26 - 3.0/2640=4, 3686/4.0=3...(12) HB3 ASP 53 - HG2 LYS 56 lone 5 60 - 8 - 4.6/3994=2 Peak 2649 from cnoeabs.peaks (8.20, 1.28, 25.28 ppm; 3.87 A): 3 out of 15 assignments used, quality = 0.96: * H LYS 56 + HG3 LYS 56 OK 89 100 - 89 - 4.7=56, 762/1.8=20...(18) HE21 GLN 58 + HG3 LYS 56 OK 45 97 - 47 - 2639/1.8=8, 2619/2.9=8...(14) H LEU 79 + HG3 LYS 56 OK 34 98 - 35 - 2639/1.8=6, 2619/2.9=5...(10) H LYS 56 - HG3 LYS 17 OK 24 59 - 41 - 763=7, 4.0/2624=4...(16) H LEU 79 - HG3 LYS 65 OK 23 85 - 27 - 374/1.8=4, 3988/3.0=3...(10) H LEU 87 - HG3 LYS 56 OK 21 97 - 21 - 2639/1.8=4, 2619/2.9=3...(6) H LYS 56 - HG3 LYS 65 OK 19 90 - 21 - 242/3.0=3, 763=3...(8) H LEU 79 - HG3 LYS 17 poor 10 55 - 18 - 892/1.8=2, 373/2.9=1...(5) H GLU 22 - HG3 LYS 56 poor 9 60 - 15 - 2639/1.8=2, 2619/2.9=2...(7) HE21 GLN 58 - HG3 LYS 17 poor 6 54 - 12 - 5303/3.0=2, 5303/3.0=2, ~5313=1 H LEU 87 - HG3 LYS 65 lone 6 83 - 7 - 4.6/4035=1 H GLU 22 - HG3 LYS 17 poor 4 29 - 13 - ~6202=3, 4.6/587=1...(6) HE21 GLN 58 - HG3 LYS 65 lone 3 83 - 4 - H LEU 87 - HG3 LYS 17 lone 2 54 - 4 - H GLU 22 - HG3 LYS 65 lone 2 48 - 4 - 4.6/587=1 Peak 2650 from cnoeabs.peaks (4.66, 1.28, 25.28 ppm; 4.20 A): 2 out of 15 assignments used, quality = 1.00: * HA LYS 56 + HG3 LYS 56 OK 100 100 - 100 - 4.0=100 HA PHE 57 + HG3 LYS 56 OK 80 98 - 81 - 2640/1.8=14, 2630/2.9=11...(39) HA ASN 90 - HG3 LYS 56 OK 42 99 - 42 - 2640/1.8=7, 2630/2.9=6...(18) HA LYS 56 - HG3 LYS 17 OK 32 59 - 55 - 2614=7, 3.0/2624=7...(24) HA LYS 56 - HG3 LYS 65 OK 21 90 - 23 - 2614=3, 3.0/763=2...(11) HA GLU 33 - HG3 LYS 56 OK 17 60 - 28 - 3.6/3995=3, 2640/1.8=3...(14) HA PHE 57 - HG3 LYS 17 OK 14 55 - 25 - 2.9/252=3, 2699/4.9=2...(11) HA PHE 57 - HG3 LYS 65 lone 6 85 - 7 - 2.9/252=1 HA GLU 33 - HG3 LYS 65 lone 5 48 - 9 - 5452/5.0=1, 4.2/4659=1...(4) HA GLU 33 - HG3 LYS 17 poor 4 29 - 14 - ~4700=2, 4.2/4664=2...(5) HA ASN 90 - HG3 LYS 17 lone 3 56 - 6 - HA ASN 90 - HG3 LYS 65 lone 2 86 - 3 - HA HIS 42 - HG3 LYS 56 lone 1 60 - 2 - HA HIS 42 - HG3 LYS 65 lone 1 48 - 1 - HA HIS 42 - HG3 LYS 17 lone 0 29 - 1 - Peak 2651 from cnoeabs.peaks (1.50, 1.28, 25.28 ppm; 3.23 A): 6 out of 39 assignments used, quality = 1.00: * HB2 LYS 56 + HG3 LYS 56 OK 100 100 - 100 - 2.9=100 HG LEU 34 + HG3 LYS 56 OK 57 93 - 61 - 2094/1.8=9, 2.1/2653=8...(31) HD3 LYS 17 + HG3 LYS 17 OK 56 56 - 100 - 3.0=100 HD2 LYS 17 + HG3 LYS 17 OK 56 56 - 100 - 3.0=100 HD2 LYS 17 + HG3 LYS 56 OK 55 99 - 56 - 2641/1.8=5, 2671/3.0=5...(32) HD3 LYS 17 + HG3 LYS 56 OK 55 99 - 56 - 2641/1.8=5, 2671/3.0=5...(32) HB2 LYS 56 - HG3 LYS 17 OK 32 59 - 54 - 2624=7, 1.8/2634=5...(24) HD2 LYS 17 - HG3 LYS 65 OK 30 86 - 35 - 3.0/1364=3, 1384=2...(13) HD3 LYS 17 - HG3 LYS 65 OK 30 86 - 35 - 3.0/1364=3, 1394=2...(13) HG3 ARG 27 - HG3 LYS 56 OK 19 89 - 22 - 2641/1.8=2, 2671/3.0=2...(5) HB2 LYS 56 - HG3 LYS 65 OK 19 90 - 21 - 2624=2, 2.9/2653=2...(7) HG LEU 34 - HG3 LYS 17 OK 14 50 - 29 - 2095/1.8=3, 2.1/1364=2...(10) HD3 LYS 64 - HG3 LYS 56 OK 13 76 - 18 - 2879/2.9=2, 2641/1.8=1...(5) QB ALA 72 - HG3 LYS 56 OK 13 99 - 13 - 5672=3, 2641/1.8=1 QB ALA 71 - HG3 LYS 56 OK 12 85 - 14 - 5652/3.6=2, 5652/3.6=2 HB3 LYS 26 - HG3 LYS 56 OK 12 89 - 13 - 2641/1.8=1 HG LEU 79 - HG3 LYS 56 OK 11 68 - 16 - 3398/4.7=1, 5.0/2649=1, ~6177=1 HG2 GLU 37 - HG3 LYS 56 OK 11 100 - 10 - 4776/1.8=2 QB ALA 72 - HG3 LYS 17 poor 9 56 - 15 - 5672=3, 5693/4.8=2, 5672/1.8=2 HG LEU 79 - HG3 LYS 65 poor 6 55 - 12 - 2.1/3407=1, 2.1/3414=1 HD3 LYS 64 - HG3 LYS 65 poor 6 62 - 10 - HG3 ARG 27 - HG3 LYS 65 lone 5 74 - 7 - QB ALA 72 - HG3 LYS 65 lone 5 86 - 6 - 5672=2 HB2 LEU 85 - HG3 LYS 56 lone 5 96 - 5 - HG3 ARG 27 - HG3 LYS 17 poor 5 47 - 10 - HG LEU 34 - HG3 LYS 65 lone 5 79 - 6 - HG2 GLU 37 - HG3 LYS 65 lone 5 90 - 5 - HB2 ARG 45 - HG3 LYS 56 lone 4 99 - 4 - HB2 LEU 85 - HG3 LYS 65 lone 4 82 - 4 - QB ALA 71 - HG3 LYS 17 lone 3 44 - 7 - 4.2/5672=2 HG LEU 79 - HG3 LYS 17 lone 3 33 - 9 - QB ALA 71 - HG3 LYS 65 lone 3 71 - 4 - HB2 ARG 45 - HG3 LYS 65 lone 3 86 - 3 - HD3 LYS 64 - HG3 LYS 17 lone 3 38 - 7 - ~4677=1 HG2 GLU 37 - HG3 LYS 17 lone 2 59 - 4 - HB3 LYS 26 - HG3 LYS 65 lone 2 74 - 2 - HB3 LYS 26 - HG3 LYS 17 lone 1 47 - 3 - HB2 LEU 85 - HG3 LYS 17 lone 1 53 - 3 - HB2 ARG 45 - HG3 LYS 17 lone 1 56 - 2 - Peak 2652 from cnoeabs.peaks (1.38, 1.28, 25.28 ppm; 2.99 A): 3 out of 33 assignments used, quality = 1.00: * HB3 LYS 56 + HG3 LYS 56 OK 100 100 - 100 - 2.9=100 HD3 LYS 56 + HG3 LYS 56 OK 92 92 - 100 - 3.0=100 HG2 LYS 44 + HG3 LYS 56 OK 55 99 - 56 - 2283=8, 2642/1.8=5...(32) HG2 LYS 68 - HG3 LYS 56 OK 29 97 - 30 - 3056=4, 1.8/3066=3...(11) HB3 LYS 56 - HG3 LYS 17 OK 27 59 - 47 - 2634=5, 1.8/2624=5...(16) HB3 LEU 12 - HG3 LYS 65 OK 25 89 - 28 - 1177/1.8=3, 1175/2.8=3...(12) HD3 LYS 56 - HG3 LYS 17 OK 22 49 - 45 - 2674=5, 3.0/2644=4...(14) HG2 LYS 68 - HG3 LYS 65 OK 22 84 - 26 - 5556/3.7=4, 3056=2...(8) HB3 LYS 56 - HG3 LYS 65 OK 16 90 - 18 - 2634=2, 2.9/2653=2...(4) HB2 LYS 64 - HG3 LYS 56 OK 16 90 - 17 - 2642/1.8=2, ~5423=2...(6) HG2 LYS 44 - HG3 LYS 65 OK 15 86 - 18 - 2283=2, 2282/1.8=2 HD3 LYS 56 - HG3 LYS 65 OK 13 78 - 16 - 3.0/2653=2, 2674=2...(4) HG2 LYS 68 - HG3 LYS 17 OK 12 55 - 21 - 3056=2, 1.8/3066=2...(8) QB ALA 69 - HG3 LYS 56 OK 12 99 - 12 - 2.9/321=2, 4.4/3026=1...(5) HB2 LYS 64 - HG3 LYS 65 OK 11 76 - 15 - 4.6/816=3, 2833/1.8=2...(5) QB ALA 67 - HG3 LYS 56 lone 9 99 - 9 - 5507/1.8=2, 3.7/832=1 HB3 LEU 12 - HG3 LYS 56 lone 9 100 - 9 - QB ALA 67 - HG3 LYS 65 lone 6 87 - 7 - 292/5.0=2, 5506/3.0=2...(4) QB ALA 69 - HG3 LYS 65 lone 5 87 - 6 - 2.9/321=2 HB2 LYS 64 - HG3 LYS 17 lone 5 48 - 10 - ~4675=2, 4.6/816=1 HG2 LYS 44 - HG3 LYS 17 lone 4 56 - 7 - QB ALA 69 - HG3 LYS 17 lone 2 57 - 4 - HG2 LYS 91 - HG3 LYS 56 lone 2 65 - 4 - HG3 LYS 91 - HG3 LYS 56 lone 2 65 - 4 - QB ALA 67 - HG3 LYS 17 lone 2 57 - 3 - HB3 LEU 12 - HG3 LYS 17 lone 2 59 - 3 - QB ALA 89 - HG3 LYS 56 lone 1 78 - 2 - HG2 LYS 91 - HG3 LYS 65 lone 1 53 - 2 - HG3 LYS 91 - HG3 LYS 65 lone 1 53 - 2 - QB ALA 89 - HG3 LYS 65 lone 1 64 - 1 - QB ALA 89 - HG3 LYS 17 lone 0 39 - 1 - HG2 LYS 91 - HG3 LYS 17 lone 0 32 - 1 - HG3 LYS 91 - HG3 LYS 17 lone 0 32 - 1 - Peak 2653 from cnoeabs.peaks (1.07, 1.28, 25.28 ppm; 2.81 A): 2 out of 12 assignments used, quality = 1.00: * HG2 LYS 56 + HG3 LYS 56 OK 100 100 - 100 - 1.8=100 QD2 LEU 34 + HG3 LYS 56 OK 55 99 - 56 - 2623/2.9=6, 2673/3.0=6...(26) HG2 LYS 56 - HG3 LYS 17 OK 26 59 - 45 - 2644=8, 2108/1.8=4...(15) HG2 LYS 56 - HG3 LYS 65 OK 18 90 - 20 - 2644=3, 5453/5.0=2...(6) QD2 LEU 34 - HG3 LYS 17 OK 12 57 - 22 - 2102/1.8=3, 2.1/1364=2...(6) QG2 VAL 66 - HG3 LYS 56 poor 9 68 - 13 - 2633/2.9=1, 5466/3.0=1...(4) QG2 THR 38 - HG3 LYS 56 lone 9 96 - 9 - 4789/2.9=2, 2633/2.9=1 QG2 VAL 66 - HG3 LYS 65 poor 7 55 - 13 - 5453/5.0=4, 5464/3.0=2 QD2 LEU 34 - HG3 LYS 65 lone 5 87 - 6 - 5453/5.0=1 QG2 VAL 66 - HG3 LYS 17 lone 2 33 - 6 - QG2 THR 38 - HG3 LYS 17 lone 2 53 - 3 - QG2 THR 38 - HG3 LYS 65 lone 1 82 - 2 - Peak 2654 from cnoeabs.peaks (1.28, 1.28, 25.28 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 56 + HG3 LYS 56 OK 100 100 - 100 HG3 LYS 65 + HG3 LYS 65 OK 76 76 - 100 HG3 LYS 17 + HG3 LYS 17 OK 55 55 - 100 Peak 2655 from cnoeabs.peaks (1.53, 1.28, 25.28 ppm; 3.11 A): 3 out of 39 assignments used, quality = 1.00: * HD2 LYS 56 + HG3 LYS 56 OK 100 100 - 100 - 3.0=100 HB3 LYS 44 + HG3 LYS 56 OK 51 98 - 52 - 2273=5, 2.9/2283=4...(25) HG LEU 34 + HG3 LYS 56 OK 51 89 - 58 - 2.1/2653=8, 2094/1.8=8...(28) HD2 LYS 17 - HG3 LYS 56 OK 38 76 - 51 - 2663/1.8=4, 3.0/1364=3...(30) HD3 LYS 17 - HG3 LYS 56 OK 38 76 - 51 - 2663/1.8=4, 3.0/1364=3...(30) HD2 LYS 17 - HG3 LYS 17 OK 38 38 - 100 - 3.0=100 HD3 LYS 17 - HG3 LYS 17 OK 38 38 - 100 - 3.0=100 HD2 LYS 56 - HG3 LYS 17 OK 27 59 - 46 - 1.8/2674=5, 3.0/2644=4...(18) HG3 ARG 27 - HG3 LYS 56 OK 20 93 - 21 - 2645/1.8=2, 1794/3.0=2...(5) HD3 LYS 17 - HG3 LYS 65 OK 19 62 - 31 - 3.0/1364=3, 3.0/1404=2...(10) HD2 LYS 17 - HG3 LYS 65 OK 19 62 - 31 - 3.0/1364=3, 3.0/1404=2...(10) HD3 LYS 64 - HG3 LYS 56 OK 19 99 - 19 - 2879/2.9=2, 2645/1.8=2...(7) HD2 LYS 56 - HG3 LYS 65 OK 16 90 - 17 - 3.0/2653=2, 1.8/2674=2...(5) QB ALA 71 - HG3 LYS 56 OK 14 96 - 15 - 5652/3.6=2, 5652/3.6=2...(6) HB3 LYS 44 - HG3 LYS 65 OK 13 85 - 15 - 2272/1.8=2, 2273=1, 2268/3.0=1 HB3 LYS 26 - HG3 LYS 56 OK 12 93 - 13 - 2645/1.8=1 HG LEU 34 - HG3 LYS 17 OK 11 47 - 25 - 2095/1.8=3, 2.1/1364=2...(8) HD3 LYS 64 - HG3 LYS 65 lone 8 86 - 10 - HB3 LEU 87 - HG3 LYS 56 lone 8 100 - 8 - 3.9/2649=1 HG LEU 30 - HG3 LYS 56 lone 6 99 - 6 - HG3 ARG 27 - HG3 LYS 65 lone 5 79 - 7 - HG3 ARG 27 - HG3 LYS 17 lone 5 50 - 9 - HG LEU 34 - HG3 LYS 65 lone 4 74 - 5 - HB2 LEU 85 - HG3 LYS 56 lone 4 85 - 5 - HB3 LEU 87 - HG3 LYS 65 lone 4 90 - 4 - HD3 LYS 64 - HG3 LYS 17 lone 4 56 - 6 - ~4677=1 HB3 LYS 44 - HG3 LYS 17 lone 3 55 - 6 - QB ALA 71 - HG3 LYS 65 lone 3 82 - 4 - QB ALA 71 - HG3 LYS 17 lone 3 53 - 6 - 4.2/5672=1 HB2 LEU 85 - HG3 LYS 65 lone 3 71 - 4 - HB2 ARG 45 - HG3 LYS 56 lone 2 76 - 3 - HG LEU 30 - HG3 LYS 17 lone 2 56 - 3 - HB3 LYS 26 - HG3 LYS 65 lone 2 79 - 2 - HB2 ARG 45 - HG3 LYS 65 lone 2 62 - 2 - HG LEU 30 - HG3 LYS 65 lone 2 86 - 2 - HB3 LEU 87 - HG3 LYS 17 lone 1 59 - 2 - HB3 LYS 26 - HG3 LYS 17 lone 1 50 - 3 - HB2 LEU 85 - HG3 LYS 17 lone 1 44 - 2 - HB2 ARG 45 - HG3 LYS 17 lone 0 38 - 1 - Peak 2656 from cnoeabs.peaks (1.39, 1.28, 25.28 ppm; 2.71 A): 2 out of 33 assignments used, quality = 0.97: * HD3 LYS 56 + HG3 LYS 56 OK 85 100 - 85 - 3.0=77, 2671/2.9=6...(14) HB3 LYS 56 + HG3 LYS 56 OK 79 92 - 86 - 2.9=78, ~2613=4...(16) HG2 LYS 44 - HG3 LYS 56 OK 34 76 - 45 - 2283=4, 2642/1.8=3...(19) HD2 LYS 44 - HG3 LYS 56 OK 28 63 - 45 - 2303=5, 3.0/2283=3...(21) HB3 LEU 34 - HG3 LYS 56 OK 26 60 - 44 - ~2080=5, 3.1/2653=4...(23) HD3 LYS 56 - HG3 LYS 17 OK 23 59 - 39 - 2674=4, 3.0/2644=3...(12) HB3 LYS 56 - HG3 LYS 17 OK 18 49 - 38 - 1.8/2624=4, 2.9/2644=3...(13) HG2 LYS 31 - HG3 LYS 56 OK 17 92 - 18 - 1953=2, 2646/1.8=2...(4) HB3 LEU 12 - HG3 LYS 65 OK 16 74 - 22 - 1177/1.8=2, 1175/2.8=2...(10) HG2 LYS 68 - HG3 LYS 56 OK 16 71 - 22 - 1.8/3066=2, 3056=2...(8) HD3 LYS 56 - HG3 LYS 65 OK 11 90 - 13 - 3.0/2653=2, 2674=1 HG2 ARG 27 - HG3 LYS 56 OK 11 71 - 16 - 2646/1.8=1, ~5215=1 HG2 LYS 68 - HG3 LYS 65 OK 11 58 - 19 - 5556/3.7=2, 2.9/3036=1...(5) HB3 LYS 56 - HG3 LYS 65 OK 10 78 - 13 - 2.9/2653=2, 1.8/2624=1, 2634=1 QB ALA 69 - HG3 LYS 56 lone 9 99 - 9 - 2.9/321=2, 4.4/3026=1 HG2 LYS 44 - HG3 LYS 65 poor 8 62 - 13 - HG2 LYS 68 - HG3 LYS 17 poor 6 35 - 16 - 1.8/3066=2, 3056=1...(4) HD2 LYS 44 - HG3 LYS 65 poor 6 50 - 11 - 2303=1 HB3 LEU 12 - HG3 LYS 56 lone 6 89 - 6 - HB3 LEU 34 - HG3 LYS 17 poor 5 29 - 19 - ~2104=2, ~2081=1...(4) QB ALA 67 - HG3 LYS 56 lone 5 78 - 6 - 3.7/832=1, 5507/1.8=1 QB ALA 69 - HG3 LYS 65 lone 3 86 - 4 - 2.9/321=1 QB ALA 67 - HG3 LYS 65 lone 3 64 - 5 - 3.7/832=1, 5506/3.0=1 HG2 LYS 31 - HG3 LYS 17 lone 3 49 - 6 - HG2 ARG 27 - HG3 LYS 17 lone 2 35 - 7 - HG2 ARG 27 - HG3 LYS 65 lone 2 58 - 4 - HG2 LYS 44 - HG3 LYS 17 lone 2 38 - 5 - QB ALA 69 - HG3 LYS 17 lone 2 56 - 3 - HD2 LYS 44 - HG3 LYS 17 lone 1 30 - 5 - HB3 LEU 34 - HG3 LYS 65 lone 1 48 - 3 - HG2 LYS 31 - HG3 LYS 65 lone 1 78 - 1 - HB3 LEU 12 - HG3 LYS 17 lone 1 47 - 2 - QB ALA 67 - HG3 LYS 17 lone 1 39 - 2 - Peak 2657 from cnoeabs.peaks (2.82, 1.28, 25.28 ppm; 3.74 A): 3 out of 12 assignments used, quality = 1.00: * HE2 LYS 56 + HG3 LYS 56 OK 100 100 - 100 - 3.6=100 HE3 LYS 56 + HG3 LYS 56 OK 100 100 - 100 - 3.6=100 HB3 PHE 57 + HG3 LYS 56 OK 50 96 - 52 - 2648/1.8=7, 3.0/2650=6...(18) HE2 LYS 56 - HG3 LYS 17 OK 26 59 - 45 - 3.0/2674=5, 3.6/2644=5...(19) HE3 LYS 56 - HG3 LYS 17 OK 26 58 - 45 - 3.0/2674=5, 3.6/2644=5...(19) HB2 ASN 90 - HG3 LYS 56 OK 24 90 - 26 - 3686/4.0=3, 2647/1.8=3...(12) HE2 LYS 56 - HG3 LYS 65 OK 12 90 - 14 - 3.6/2653=2, 3.0/2674=2...(5) HE3 LYS 56 - HG3 LYS 65 OK 12 89 - 14 - 3.6/2653=2, 3.0/2674=2...(5) HB3 PHE 57 - HG3 LYS 65 lone 6 82 - 7 - ~5190=1 HB3 PHE 57 - HG3 LYS 17 poor 5 53 - 10 - 4.0/252=2, 3.0/2650=1 HB2 ASN 90 - HG3 LYS 17 lone 2 48 - 3 - HB2 ASN 90 - HG3 LYS 65 lone 1 76 - 2 - Peak 2658 from cnoeabs.peaks (2.81, 1.28, 25.28 ppm; 3.84 A): 3 out of 15 assignments used, quality = 1.00: * HE3 LYS 56 + HG3 LYS 56 OK 100 100 - 100 - 3.6=100 HE2 LYS 56 + HG3 LYS 56 OK 100 100 - 100 - 3.6=100 HB3 PHE 57 + HG3 LYS 56 OK 53 99 - 54 - 2648/1.8=7, 3.0/2650=6...(18) HE3 LYS 56 - HG3 LYS 17 OK 27 59 - 46 - 3.0/2674=5, 3.6/2644=5...(21) HE2 LYS 56 - HG3 LYS 17 OK 27 58 - 46 - 3.0/2674=5, 3.6/2644=5...(21) HB2 ASN 90 - HG3 LYS 56 OK 22 83 - 27 - 2647/1.8=3, 3.0/2650=3...(12) HE3 LYS 56 - HG3 LYS 65 OK 13 90 - 14 - 3.6/2653=2, 3.0/2674=2...(5) HE2 LYS 56 - HG3 LYS 65 OK 13 89 - 14 - 3.6/2653=2, 3.0/2674=2...(5) HB3 PHE 57 - HG3 LYS 65 lone 7 86 - 8 - ~5190=1 HB3 PHE 57 - HG3 LYS 17 poor 6 56 - 11 - 4.0/252=2, 3.0/2650=1 HB3 ASP 53 - HG3 LYS 56 lone 4 60 - 7 - 4.6/3995=1 HB3 ASP 53 - HG3 LYS 65 lone 2 48 - 4 - HB2 ASN 90 - HG3 LYS 17 lone 1 42 - 3 - HB2 ASN 90 - HG3 LYS 65 lone 1 69 - 2 - HB3 ASP 53 - HG3 LYS 17 lone 1 29 - 3 - Peak 2659 from cnoeabs.peaks (8.20, 1.53, 28.78 ppm; 4.86 A): 2 out of 15 assignments used, quality = 0.98: * H LYS 56 + HD2 LYS 56 OK 95 100 - 95 - 5.8=59, 762/3.0=22...(21) HE21 GLN 58 + HD2 LYS 56 OK 66 97 - 68 - 2669/1.8=11, 2629/3.4=10...(21) H LEU 79 - HD2 LYS 56 OK 39 98 - 40 - 2669/1.8=7, 2639/3.0=6...(10) H LYS 56 - HD3 LYS 17 OK 37 76 - 49 - 763/3.0=6, 760/1.8=4...(17) H LYS 56 - HD2 LYS 17 OK 37 76 - 49 - 763/3.0=6, 760/1.8=4...(17) H LEU 87 - HD2 LYS 56 OK 30 97 - 31 - 2669/1.8=5, 2639/3.0=4...(9) HE21 GLN 58 - HD3 LYS 17 OK 17 70 - 25 - 5303/1.8=3, 5303=3...(10) HE21 GLN 58 - HD2 LYS 17 OK 17 70 - 25 - 5303/1.8=3, 5303=3...(10) H GLU 22 - HD2 LYS 56 OK 13 60 - 21 - ~6122=2, 2639/3.0=2...(8) H LEU 79 - HD3 LYS 17 OK 11 72 - 15 - 892/3.0=2, 892/3.0=2...(5) H LEU 79 - HD2 LYS 17 OK 11 72 - 15 - 892/3.0=2, 892/3.0=2...(5) H GLU 22 - HD2 LYS 17 poor 7 38 - 18 - ~6122=3, 5.0/6119=2...(7) H GLU 22 - HD3 LYS 17 poor 7 38 - 18 - ~6122=3, 5.0/6119=2...(7) H LEU 87 - HD3 LYS 17 lone 4 70 - 6 - H LEU 87 - HD2 LYS 17 lone 4 70 - 6 - Peak 2660 from cnoeabs.peaks (4.66, 1.53, 28.78 ppm; 4.89 A): 5 out of 15 assignments used, quality = 1.00: * HA LYS 56 + HD2 LYS 56 OK 99 100 - 99 - 5.3=79, 2613/3.0=22...(37) HA PHE 57 + HD2 LYS 56 OK 91 98 - 93 - 2640/3.0=14, 2630/3.4=13...(54) HA ASN 90 + HD2 LYS 56 OK 51 99 - 52 - 2640/3.0=7, 2630/3.4=7...(22) HA LYS 56 + HD2 LYS 17 OK 50 76 - 67 - 2614/3.0=6, 2611/1.8=6...(38) HA LYS 56 + HD3 LYS 17 OK 50 76 - 67 - 2614/3.0=6, 2611/1.8=6...(38) HA PHE 57 - HD2 LYS 17 OK 24 72 - 33 - ~3825=2, ~252=2...(15) HA PHE 57 - HD3 LYS 17 OK 24 72 - 33 - ~3825=2, ~252=2...(15) HA GLU 33 - HD2 LYS 56 OK 20 60 - 33 - 3.6/6178=5, 2640/3.0=3...(13) HA ASN 90 - HD2 LYS 17 lone 5 72 - 7 - HA ASN 90 - HD3 LYS 17 lone 5 72 - 7 - HA GLU 33 - HD3 LYS 17 poor 5 38 - 14 - 3.6/665=3, ~4700=2, ~145=2 HA GLU 33 - HD2 LYS 17 poor 5 38 - 14 - 3.6/665=3, ~4700=2, ~145=2 HA HIS 42 - HD2 LYS 56 lone 2 60 - 3 - HA HIS 42 - HD2 LYS 17 lone 1 38 - 2 - HA HIS 42 - HD3 LYS 17 lone 1 38 - 2 - Peak 2661 from cnoeabs.peaks (1.50, 1.53, 28.78 ppm; 2.40 A): 3 out of 37 assignments used, quality = 0.97: HD3 LYS 17 + HD2 LYS 17 OK 72 72 - 100 - 1.8=100 HD2 LYS 17 + HD3 LYS 17 OK 72 72 - 100 - 1.8=100 * HB2 LYS 56 + HD2 LYS 56 OK 58 100 - 58 - 3.4=34, 2671/1.8=8...(14) HG LEU 34 - HD2 LYS 56 OK 33 93 - 36 - 2671/1.8=4, 2094/3.0=3...(17) HD2 LYS 17 - HD2 LYS 56 OK 29 99 - 30 - 2671/1.8=4, ~2671=2...(8) HD3 LYS 17 - HD2 LYS 56 OK 29 99 - 30 - 2671/1.8=4, ~2671=2...(8) HB2 LYS 56 - HD2 LYS 17 OK 24 76 - 32 - 2625=3, 2625/1.8=2...(11) HB2 LYS 56 - HD3 LYS 17 OK 24 76 - 32 - 2625=3, 2625/1.8=2...(11) HG3 ARG 27 - HD2 LYS 56 OK 12 89 - 14 - 2671/1.8=2, 1.8/1787=1 HG LEU 34 - HD3 LYS 17 OK 10 66 - 16 - 2095/3.0=1, 2.1/2100=1 HG LEU 34 - HD2 LYS 17 OK 10 66 - 16 - 2095/3.0=1, 2.1/2100=1 HD3 LYS 64 - HD2 LYS 56 poor 8 76 - 10 - 1.8/2874=2 QB ALA 71 - HD2 LYS 56 lone 7 85 - 8 - HB3 LYS 26 - HD2 LYS 56 lone 6 89 - 7 - QB ALA 72 - HD2 LYS 56 lone 5 99 - 6 - 5672/3.0=1 HG2 GLU 37 - HD2 LYS 56 lone 5 100 - 4 - HG3 ARG 27 - HD3 LYS 17 lone 4 61 - 7 - HG3 ARG 27 - HD2 LYS 17 lone 4 61 - 7 - QB ALA 72 - HD3 LYS 17 lone 4 72 - 6 - 5672/3.0=1 QB ALA 72 - HD2 LYS 17 lone 4 72 - 6 - 5672/3.0=1 HG LEU 79 - HD2 LYS 56 lone 4 68 - 5 - HB2 LEU 85 - HD2 LYS 56 lone 3 96 - 3 - QB ALA 71 - HD2 LYS 17 lone 3 58 - 5 - QB ALA 71 - HD3 LYS 17 lone 3 58 - 5 - HB2 ARG 45 - HD2 LYS 56 lone 2 99 - 2 - HD3 LYS 64 - HD3 LYS 17 lone 2 50 - 4 - HD3 LYS 64 - HD2 LYS 17 lone 2 50 - 4 - HG2 GLU 37 - HD3 LYS 17 lone 2 76 - 2 - HG2 GLU 37 - HD2 LYS 17 lone 2 76 - 2 - HB3 LYS 26 - HD3 LYS 17 lone 1 61 - 2 - HB3 LYS 26 - HD2 LYS 17 lone 1 61 - 2 - HB2 LEU 85 - HD2 LYS 17 lone 1 68 - 2 - HB2 LEU 85 - HD3 LYS 17 lone 1 68 - 2 - HG LEU 79 - HD2 LYS 17 lone 1 44 - 2 - HG LEU 79 - HD3 LYS 17 lone 1 44 - 2 - HB2 ARG 45 - HD2 LYS 17 lone 1 72 - 1 - HB2 ARG 45 - HD3 LYS 17 lone 1 72 - 1 - Peak 2662 from cnoeabs.peaks (1.38, 1.53, 28.78 ppm; 2.62 A): 2 out of 33 assignments used, quality = 0.97: HD3 LYS 56 + HD2 LYS 56 OK 92 92 - 100 - 1.8=100 * HB3 LYS 56 + HD2 LYS 56 OK 68 100 - 68 - 3.4=44, 1.8/2625=6...(16) HG2 LYS 44 - HD2 LYS 56 OK 44 99 - 45 - 2282/1.8=3, 2279=3...(22) HB3 LYS 56 - HD2 LYS 17 OK 28 76 - 37 - 2631/1.8=4, 2635=3...(10) HB3 LYS 56 - HD3 LYS 17 OK 28 76 - 37 - 2631/1.8=4, 2635=3...(10) HD3 LYS 56 - HD2 LYS 17 OK 23 64 - 37 - 2671/1.8=4, 2675=4...(12) HD3 LYS 56 - HD3 LYS 17 OK 23 64 - 37 - 2671/1.8=4, 2675=4...(12) HG2 LYS 68 - HD2 LYS 56 OK 15 97 - 15 - 3056/3.0=2, 2642/3.0=1 HB2 LYS 64 - HD2 LYS 56 OK 13 90 - 15 - 1.8/2844=1, 2834=1, 3.0/2864=1 HG2 LYS 68 - HD3 LYS 17 poor 8 71 - 11 - 3056/3.0=1 HG2 LYS 68 - HD2 LYS 17 poor 8 71 - 11 - 3056/3.0=1 QB ALA 69 - HD2 LYS 56 lone 7 99 - 8 - QB ALA 67 - HD2 LYS 56 lone 6 99 - 6 - 5507/3.0=1 HB2 LYS 64 - HD3 LYS 17 lone 6 63 - 9 - HB2 LYS 64 - HD2 LYS 17 lone 6 63 - 9 - HB3 LEU 12 - HD2 LYS 56 lone 5 100 - 5 - QB ALA 69 - HD3 LYS 17 lone 2 73 - 3 - QB ALA 69 - HD2 LYS 17 lone 2 73 - 3 - HG2 LYS 44 - HD3 LYS 17 lone 2 72 - 3 - HG2 LYS 44 - HD2 LYS 17 lone 2 72 - 3 - QB ALA 67 - HD2 LYS 17 lone 2 73 - 2 - QB ALA 67 - HD3 LYS 17 lone 2 73 - 2 - HG2 LYS 91 - HD2 LYS 56 lone 1 65 - 2 - HG3 LYS 91 - HD2 LYS 56 lone 1 65 - 2 - QB ALA 89 - HD2 LYS 56 lone 1 78 - 1 - HB3 LEU 12 - HD3 LYS 17 lone 1 76 - 1 - HB3 LEU 12 - HD2 LYS 17 lone 1 76 - 1 - QB ALA 89 - HD3 LYS 17 lone 0 52 - 0 - QB ALA 89 - HD2 LYS 17 lone 0 52 - 0 - HG3 LYS 91 - HD3 LYS 17 lone 0 42 - 0 - HG3 LYS 91 - HD2 LYS 17 lone 0 42 - 0 - HG2 LYS 91 - HD2 LYS 17 lone 0 42 - 0 - HG2 LYS 91 - HD3 LYS 17 lone 0 42 - 0 - Peak 2663 from cnoeabs.peaks (1.07, 1.53, 28.78 ppm; 3.58 A): 4 out of 12 assignments used, quality = 1.00: * HG2 LYS 56 + HD2 LYS 56 OK 100 100 - 100 - 3.0=100 QD2 LEU 34 + HD2 LYS 56 OK 77 99 - 78 - 2673/1.8=12, 2623/3.4=9...(39) HG2 LYS 56 + HD3 LYS 17 OK 48 76 - 63 - 2641/1.8=6, 2644/3.0=6...(37) HG2 LYS 56 + HD2 LYS 17 OK 48 76 - 63 - 2641/1.8=6, 2644/3.0=6...(37) QD2 LEU 34 - HD3 LYS 17 OK 27 73 - 37 - 2102/3.0=3, 2100=3...(17) QD2 LEU 34 - HD2 LYS 17 OK 27 73 - 37 - 2102/3.0=3, 2100=3...(17) QG2 VAL 66 - HD2 LYS 56 OK 14 68 - 21 - 5466=3, 2673/1.8=3...(7) QG2 THR 38 - HD2 LYS 56 OK 14 96 - 14 - 2673/1.8=3, 4789/3.4=2...(5) QG2 THR 38 - HD2 LYS 17 lone 4 68 - 6 - 4789/1.8=1 QG2 THR 38 - HD3 LYS 17 lone 4 68 - 6 - 4789/1.8=1 QG2 VAL 66 - HD3 LYS 17 lone 3 44 - 6 - QG2 VAL 66 - HD2 LYS 17 lone 3 44 - 6 - Peak 2664 from cnoeabs.peaks (1.28, 1.53, 28.78 ppm; 2.96 A): 4 out of 27 assignments used, quality = 1.00: * HG3 LYS 56 + HD2 LYS 56 OK 100 100 - 100 - 3.0=100 HG3 LYS 17 + HD3 LYS 17 OK 72 72 - 100 - 3.0=100 HG3 LYS 17 + HD2 LYS 17 OK 72 72 - 100 - 3.0=100 HD3 LYS 44 + HD2 LYS 56 OK 49 97 - 51 - 2674/1.8=5, 1.8/2299=4...(26) HG3 LYS 17 - HD2 LYS 56 OK 41 98 - 42 - 2674/1.8=5, 2644/3.0=4...(15) HG3 LYS 56 - HD2 LYS 17 OK 36 76 - 47 - 1.8/2663=3, 1364/3.0=3...(30) HG3 LYS 56 - HD3 LYS 17 OK 36 76 - 47 - 1.8/2663=3, 1364/3.0=3...(30) HB3 LYS 68 - HD2 LYS 56 OK 22 95 - 23 - 2674/1.8=3, 2644/3.0=2...(7) HG3 LYS 65 - HD3 LYS 17 OK 17 63 - 28 - 1364/3.0=2, 1404/3.0=2...(9) HG3 LYS 65 - HD2 LYS 17 OK 17 63 - 28 - 1364/3.0=2, 1404/3.0=2...(9) HG3 LYS 31 - HD2 LYS 56 OK 17 83 - 20 - 1962/1.8=2, 2644/3.0=2...(6) HG3 LYS 65 - HD2 LYS 56 OK 14 90 - 15 - 2653/3.0=2, 2674/1.8=2...(5) HB3 LYS 68 - HD2 LYS 17 OK 10 67 - 15 - 3050/3.0=1 HB3 LYS 68 - HD3 LYS 17 OK 10 67 - 15 - 3050/3.0=1 HB2 LYS 26 - HD2 LYS 56 poor 9 60 - 15 - 1681=1 HB3 LEU 23 - HD2 LYS 56 lone 7 83 - 9 - HB2 LEU 79 - HD2 LYS 56 poor 7 63 - 12 - HB3 LEU 23 - HD2 LYS 17 poor 6 56 - 11 - 1364/3.0=1 HB3 LEU 23 - HD3 LYS 17 poor 6 56 - 11 - 1364/3.0=1 HG3 LYS 31 - HD2 LYS 17 lone 3 56 - 6 - HG3 LYS 31 - HD3 LYS 17 lone 3 56 - 6 - HD3 LYS 44 - HD2 LYS 17 lone 3 70 - 5 - HD3 LYS 44 - HD3 LYS 17 lone 3 70 - 5 - HB2 LEU 79 - HD2 LYS 17 lone 2 40 - 4 - HB2 LEU 79 - HD3 LYS 17 lone 2 40 - 4 - HB2 LYS 26 - HD2 LYS 17 lone 2 38 - 4 - HB2 LYS 26 - HD3 LYS 17 lone 2 38 - 4 - Peak 2665 from cnoeabs.peaks (1.53, 1.53, 28.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 56 + HD2 LYS 56 OK 100 100 - 100 HD3 LYS 17 + HD3 LYS 17 OK 50 50 - 100 HD2 LYS 17 + HD2 LYS 17 OK 50 50 - 100 Peak 2666 from cnoeabs.peaks (1.39, 1.53, 28.78 ppm; 2.50 A): 2 out of 33 assignments used, quality = 1.00: * HD3 LYS 56 + HD2 LYS 56 OK 100 100 - 100 - 1.8=100 HB3 LYS 56 + HD2 LYS 56 OK 56 92 - 61 - 3.4=39, 1.8/2625=6...(16) HG2 LYS 44 - HD2 LYS 56 OK 29 76 - 38 - 1.8/2289=3, 2.9/2259=2...(17) HD3 LYS 56 - HD2 LYS 17 OK 26 76 - 34 - 2675=5, 2671/1.8=4...(10) HD3 LYS 56 - HD3 LYS 17 OK 26 76 - 34 - 2675=5, 2671/1.8=4...(10) HB3 LEU 34 - HD2 LYS 56 OK 23 60 - 39 - 2087/3.0=3, 3.1/2663=3...(20) HD2 LYS 44 - HD2 LYS 56 OK 23 63 - 36 - 3.0/2279=2, 2300/1.8=2...(18) HB3 LYS 56 - HD2 LYS 17 OK 20 64 - 31 - 2631/1.8=3, 1.8/2625=3...(10) HB3 LYS 56 - HD3 LYS 17 OK 20 64 - 31 - 2631/1.8=3, 1.8/2625=3...(10) HG2 ARG 27 - HD2 LYS 56 OK 13 71 - 18 - 1787=1 HG2 LYS 31 - HD2 LYS 56 OK 12 92 - 13 - 1953/3.0=1, ~1962=1 HG2 LYS 68 - HD2 LYS 56 poor 8 71 - 12 - 3056/3.0=1 HB3 LEU 34 - HD2 LYS 17 poor 6 38 - 16 - 1.8/2079=1 HB3 LEU 34 - HD3 LYS 17 poor 6 38 - 16 - 1.8/2079=1 QB ALA 69 - HD2 LYS 56 lone 6 99 - 6 - HG2 LYS 68 - HD3 LYS 17 lone 4 46 - 9 - HG2 LYS 68 - HD2 LYS 17 lone 4 46 - 9 - HG2 ARG 27 - HD3 LYS 17 lone 4 46 - 8 - HG2 ARG 27 - HD2 LYS 17 lone 4 46 - 8 - HB3 LEU 12 - HD2 LYS 56 lone 4 89 - 4 - QB ALA 67 - HD2 LYS 56 lone 3 78 - 4 - HG2 LYS 31 - HD2 LYS 17 lone 2 64 - 3 - HG2 LYS 31 - HD3 LYS 17 lone 2 64 - 3 - QB ALA 69 - HD3 LYS 17 lone 2 72 - 2 - QB ALA 69 - HD2 LYS 17 lone 2 72 - 2 - HG2 LYS 44 - HD2 LYS 17 lone 1 50 - 2 - HG2 LYS 44 - HD3 LYS 17 lone 1 50 - 2 - HD2 LYS 44 - HD3 LYS 17 lone 1 40 - 2 - HD2 LYS 44 - HD2 LYS 17 lone 1 40 - 2 - QB ALA 67 - HD3 LYS 17 lone 1 52 - 1 - QB ALA 67 - HD2 LYS 17 lone 1 52 - 1 - HB3 LEU 12 - HD2 LYS 17 lone 0 61 - 1 - HB3 LEU 12 - HD3 LYS 17 lone 0 61 - 1 - Peak 2667 from cnoeabs.peaks (2.82, 1.53, 28.78 ppm; 3.02 A): 2 out of 12 assignments used, quality = 1.00: * HE2 LYS 56 + HD2 LYS 56 OK 100 100 - 100 - 3.0=100 HE3 LYS 56 + HD2 LYS 56 OK 100 100 - 100 - 3.0=100 HB3 PHE 57 - HD2 LYS 56 OK 41 96 - 43 - 2677/1.8=5, 2648/3.0=4...(22) HE2 LYS 56 - HD2 LYS 17 OK 23 76 - 30 - 3.0/2675=3, 3.6/2663=2...(13) HE2 LYS 56 - HD3 LYS 17 OK 23 76 - 30 - 3.0/2675=3, 3.6/2663=2...(13) HE3 LYS 56 - HD2 LYS 17 OK 22 75 - 30 - 3.0/2675=3, 3.6/2663=2...(13) HE3 LYS 56 - HD3 LYS 17 OK 22 75 - 30 - 3.0/2675=3, 3.6/2663=2...(13) HB2 ASN 90 - HD2 LYS 56 OK 15 90 - 16 - 2677/1.8=2, 2647/3.0=2...(8) HB3 PHE 57 - HD2 LYS 17 lone 4 68 - 6 - HB3 PHE 57 - HD3 LYS 17 lone 4 68 - 6 - HB2 ASN 90 - HD3 LYS 17 lone 1 63 - 2 - HB2 ASN 90 - HD2 LYS 17 lone 1 63 - 2 - Peak 2668 from cnoeabs.peaks (2.81, 1.53, 28.78 ppm; 3.43 A): 3 out of 15 assignments used, quality = 1.00: * HE3 LYS 56 + HD2 LYS 56 OK 100 100 - 100 - 3.0=100 HE2 LYS 56 + HD2 LYS 56 OK 100 100 - 100 - 3.0=100 HB3 PHE 57 + HD2 LYS 56 OK 53 99 - 54 - 2678/1.8=7, 2648/3.0=5...(28) HE3 LYS 56 - HD2 LYS 17 OK 29 76 - 39 - 3.0/2675=3, 3.6/2663=3...(22) HE3 LYS 56 - HD3 LYS 17 OK 29 76 - 39 - 3.0/2675=3, 3.6/2663=3...(22) HE2 LYS 56 - HD2 LYS 17 OK 29 75 - 39 - 3.0/2675=3, 3.6/2663=3...(22) HE2 LYS 56 - HD3 LYS 17 OK 29 75 - 39 - 3.0/2675=3, 3.6/2663=3...(22) HB2 ASN 90 - HD2 LYS 56 OK 18 83 - 22 - 2677/1.8=3, 2647/3.0=2...(12) HB3 PHE 57 - HD3 LYS 17 lone 6 72 - 8 - HB3 PHE 57 - HD2 LYS 17 lone 6 72 - 8 - HB3 ASP 53 - HD2 LYS 56 lone 4 60 - 6 - HB2 ASN 90 - HD3 LYS 17 lone 1 56 - 2 - HB2 ASN 90 - HD2 LYS 17 lone 1 56 - 2 - HB3 ASP 53 - HD3 LYS 17 lone 1 38 - 2 - HB3 ASP 53 - HD2 LYS 17 lone 1 38 - 2 - Peak 2669 from cnoeabs.peaks (8.20, 1.39, 28.78 ppm; 4.67 A): 2 out of 5 assignments used, quality = 0.97: * H LYS 56 + HD3 LYS 56 OK 93 100 - 93 - 5.8=52, 762/3.0=21...(20) HE21 GLN 58 + HD3 LYS 56 OK 60 97 - 63 - 2629/3.4=10, 2619/3.4=9...(20) H LEU 79 - HD3 LYS 56 OK 40 98 - 40 - 2639/3.0=6, 2619/3.4=6...(14) H LEU 87 - HD3 LYS 56 OK 25 97 - 26 - 2639/3.0=4, 2619/3.4=4...(9) H GLU 22 - HD3 LYS 56 OK 10 60 - 17 - 2639/3.0=2, ~6122=2...(7) Peak 2671 from cnoeabs.peaks (1.50, 1.39, 28.78 ppm; 2.60 A): 5 out of 13 assignments used, quality = 0.93: * HB2 LYS 56 + HD3 LYS 56 OK 68 100 - 68 - 3.4=44, 2625/1.8=6...(18) HG LEU 34 + HD3 LYS 56 OK 39 93 - 42 - 2.1/2673=6, 2094/3.0=4...(19) HD3 LYS 17 + HD3 LYS 56 OK 35 99 - 36 - 3.0/2674=3, 2641/3.0=2...(9) HD2 LYS 17 + HD3 LYS 56 OK 35 99 - 36 - 3.0/2674=3, 2641/3.0=2...(9) HG3 ARG 27 + HD3 LYS 56 OK 14 89 - 16 - 1794=1 HD3 LYS 64 - HD3 LYS 56 lone 7 76 - 10 - QB ALA 72 - HD3 LYS 56 lone 7 99 - 7 - 5672/3.0=1 HB3 LYS 26 - HD3 LYS 56 lone 7 89 - 8 - QB ALA 71 - HD3 LYS 56 lone 6 85 - 8 - HG LEU 79 - HD3 LYS 56 lone 6 68 - 9 - 2.1/6177=1 HG2 GLU 37 - HD3 LYS 56 lone 6 100 - 6 - HB2 LEU 85 - HD3 LYS 56 lone 3 96 - 3 - HB2 ARG 45 - HD3 LYS 56 lone 2 99 - 2 - Peak 2672 from cnoeabs.peaks (1.38, 1.39, 28.78 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: HD3 LYS 56 + HD3 LYS 56 OK 92 92 - 100 Reference assignment not found: HB3 LYS 56 - HD3 LYS 56 Peak 2673 from cnoeabs.peaks (1.07, 1.39, 28.78 ppm; 3.79 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 56 + HD3 LYS 56 OK 100 100 - 100 - 3.0=100 QD2 LEU 34 + HD3 LYS 56 OK 78 99 - 79 - 2623/3.4=10, 2633/3.4=9...(43) QG2 VAL 66 - HD3 LYS 56 OK 17 68 - 24 - 5466/1.8=3, 2633/3.4=2...(8) QG2 THR 38 - HD3 LYS 56 OK 15 96 - 16 - 4789/3.4=3, 2633/3.4=2...(6) Peak 2674 from cnoeabs.peaks (1.28, 1.39, 28.78 ppm; 3.45 A): 3 out of 9 assignments used, quality = 1.00: * HG3 LYS 56 + HD3 LYS 56 OK 100 100 - 100 - 3.0=100 HD3 LYS 44 + HD3 LYS 56 OK 61 97 - 63 - 2644/3.0=5, 2309/1.8=5...(40) HG3 LYS 17 + HD3 LYS 56 OK 56 98 - 57 - 2644/3.0=5, 3.0/2671=5...(28) HB3 LYS 68 - HD3 LYS 56 OK 33 95 - 35 - 2634/3.4=3, 2644/3.0=3...(13) HG3 LYS 31 - HD3 LYS 56 OK 26 83 - 32 - 1962=3, 3.0/1932=3...(14) HG3 LYS 65 - HD3 LYS 56 OK 19 90 - 21 - 2653/3.0=2, 2624/3.4=1...(7) HB2 LEU 79 - HD3 LYS 56 OK 12 63 - 19 - 4.0/2669=2, 3.1/6177=2...(4) HB2 LYS 26 - HD3 LYS 56 OK 10 60 - 17 - 1.8/2671=1 HB3 LEU 23 - HD3 LYS 56 OK 10 83 - 12 - 2624/3.4=1 Peak 2675 from cnoeabs.peaks (1.53, 1.39, 28.78 ppm; 2.47 A): 1 out of 13 assignments used, quality = 1.00: * HD2 LYS 56 + HD3 LYS 56 OK 100 100 - 100 - 1.8=100 HG LEU 34 - HD3 LYS 56 OK 32 89 - 36 - 2.1/2673=5, 2094/3.0=3...(16) HB3 LYS 44 - HD3 LYS 56 OK 31 98 - 32 - 2273/3.0=2, 2270/3.4=2...(12) HD2 LYS 17 - HD3 LYS 56 OK 24 76 - 31 - 2666=3, 3.0/2674=2...(6) HD3 LYS 17 - HD3 LYS 56 OK 24 76 - 31 - 2666=3, 3.0/2674=2...(6) HG3 ARG 27 - HD3 LYS 56 OK 14 93 - 15 - 1794=1 HD3 LYS 64 - HD3 LYS 56 poor 10 99 - 10 - 2879/3.4=1 QB ALA 71 - HD3 LYS 56 lone 7 96 - 7 - HB3 LYS 26 - HD3 LYS 56 lone 7 93 - 7 - HB3 LEU 87 - HD3 LYS 56 lone 4 100 - 4 - HG LEU 30 - HD3 LYS 56 lone 4 99 - 4 - HB2 LEU 85 - HD3 LYS 56 lone 2 85 - 2 - HB2 ARG 45 - HD3 LYS 56 lone 1 76 - 1 - Peak 2676 from cnoeabs.peaks (1.39, 1.39, 28.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 56 + HD3 LYS 56 OK 100 100 - 100 Peak 2677 from cnoeabs.peaks (2.82, 1.39, 28.78 ppm; 3.47 A): 3 out of 4 assignments used, quality = 1.00: * HE2 LYS 56 + HD3 LYS 56 OK 100 100 - 100 - 3.0=100 HE3 LYS 56 + HD3 LYS 56 OK 100 100 - 100 - 3.0=100 HB3 PHE 57 + HD3 LYS 56 OK 50 96 - 53 - 2667/1.8=5, 2648/3.0=5...(27) HB2 ASN 90 - HD3 LYS 56 OK 20 90 - 22 - 2647/3.0=2, 3686/5.3=2...(13) Peak 2678 from cnoeabs.peaks (2.81, 1.39, 28.78 ppm; 3.60 A): 3 out of 5 assignments used, quality = 1.00: * HE3 LYS 56 + HD3 LYS 56 OK 100 100 - 100 - 3.0=100 HE2 LYS 56 + HD3 LYS 56 OK 100 100 - 100 - 3.0=100 HB3 PHE 57 + HD3 LYS 56 OK 55 99 - 55 - 2648/3.0=5, 2668/1.8=5...(27) HB2 ASN 90 - HD3 LYS 56 OK 19 83 - 23 - 2647/3.0=2, 2637/3.4=2...(14) HB3 ASP 53 - HD3 LYS 56 lone 4 60 - 7 - 4.6/3997=1 Peak 2679 from cnoeabs.peaks (8.20, 2.82, 41.78 ppm; 4.82 A): 5 out of 15 assignments used, quality = 1.00: * H LYS 56 + HE2 LYS 56 OK 86 100 - 86 - 7.4=27, 762/3.6=19...(20) H LYS 56 + HE3 LYS 56 OK 86 100 - 86 - 7.4=27, 762/3.6=19...(20) H LYS 56 + HB3 PHE 57 OK 59 84 - 70 - 988/4.0=12, 766=11...(18) HE21 GLN 58 + HE2 LYS 56 OK 50 97 - 52 - 2669/3.0=9, 2639/3.6=8...(13) HE21 GLN 58 + HE3 LYS 56 OK 50 96 - 52 - 2669/3.0=9, 2639/3.6=8...(13) H LEU 79 - HE3 LYS 56 OK 34 98 - 35 - 2669/3.0=6, 2639/3.6=6...(10) H LEU 79 - HE2 LYS 56 OK 33 98 - 34 - 2669/3.0=6, 2639/3.6=6...(9) H LEU 79 - HB3 PHE 57 OK 32 80 - 40 - 369/4.4=10, 5853/5.8=10...(8) H LEU 87 - HE2 LYS 56 OK 23 97 - 24 - 2669/3.0=4, 2639/3.6=4...(7) H LEU 87 - HE3 LYS 56 OK 23 96 - 24 - 2669/3.0=4, 2639/3.6=4...(7) HE21 GLN 58 - HB3 PHE 57 OK 20 78 - 25 - 6.6/260=7, 247/4.0=6...(4) H LEU 87 - HB3 PHE 57 poor 9 78 - 12 - 4651/4.4=4, 247/4.0=2 H GLU 22 - HE2 LYS 56 poor 8 60 - 14 - 2639/3.6=2, 2619/4.8=2...(7) H GLU 22 - HE3 LYS 56 poor 8 59 - 14 - 2639/3.6=2, 2619/4.8=2...(7) H GLU 22 - HB3 PHE 57 lone 3 44 - 6 - 5744/5759=1 Peak 2680 from cnoeabs.peaks (4.66, 2.82, 41.78 ppm; 3.82 A): 6 out of 15 assignments used, quality = 1.00: * HA LYS 56 + HE2 LYS 56 OK 80 100 - 80 - 6.0=25, 2613/3.6=13...(34) HA LYS 56 + HE3 LYS 56 OK 80 100 - 80 - 6.0=25, 2613/3.6=13...(35) HA PHE 57 + HB3 PHE 57 OK 80 80 - 100 - 3.0=100 HA PHE 57 + HE2 LYS 56 OK 75 98 - 77 - 2702=10, 2702/1.8=9...(34) HA PHE 57 + HE3 LYS 56 OK 75 98 - 77 - 2702=10, 2702/1.8=9...(34) HA LYS 56 + HB3 PHE 57 OK 54 84 - 64 - 3991/4.0=14, 4565/2.5=11...(23) HA ASN 90 - HE2 LYS 56 OK 34 99 - 35 - 3681=6, 3681/1.8=5...(12) HA ASN 90 - HE3 LYS 56 OK 34 98 - 34 - 3681=6, 3681/1.8=5...(11) HA ASN 90 - HB3 PHE 57 OK 17 81 - 21 - 3681=3, 2706/1.8=3...(6) HA GLU 33 - HE2 LYS 56 poor 9 60 - 14 - 3.6/3998=2, 2640/3.6=2...(5) HA GLU 33 - HE3 LYS 56 poor 8 59 - 14 - 3.6/3999=2, 2640/3.6=2...(5) HA GLU 33 - HB3 PHE 57 poor 7 44 - 17 - 3911/4.0=3, 2706/1.8=2...(8) HA HIS 42 - HB3 PHE 57 lone 1 44 - 2 - HA HIS 42 - HE2 LYS 56 lone 1 60 - 2 - HA HIS 42 - HE3 LYS 56 lone 1 59 - 2 - Peak 2681 from cnoeabs.peaks (1.50, 2.82, 41.78 ppm; 3.20 A): 4 out of 39 assignments used, quality = 0.96: * HB2 LYS 56 + HE2 LYS 56 OK 68 100 - 68 - 4.8=30, 2671/3.0=9...(27) HB2 LYS 56 + HE3 LYS 56 OK 67 100 - 68 - 4.8=30, 2671/3.0=9...(27) HB2 LYS 56 + HB3 PHE 57 OK 41 84 - 49 - 2620/3.0=6, 4.6/256=5...(21) HG LEU 34 + HE2 LYS 56 OK 38 93 - 40 - 2094/3.6=5, 2671/3.0=5...(17) HG LEU 34 - HE3 LYS 56 OK 37 93 - 40 - 2094/3.6=5, 2671/3.0=5...(17) HD3 LYS 17 - HE2 LYS 56 OK 35 99 - 36 - 2671/3.0=4, 2641/3.6=3...(14) HD2 LYS 17 - HE2 LYS 56 OK 35 99 - 36 - 2671/3.0=4, 2641/3.6=3...(14) HD3 LYS 17 - HE3 LYS 56 OK 35 98 - 36 - 2671/3.0=4, 2641/3.6=3...(14) HD2 LYS 17 - HE3 LYS 56 OK 35 98 - 36 - 2671/3.0=4, 2641/3.6=3...(14) QB ALA 71 - HB3 PHE 57 OK 18 65 - 28 - ~5629=6, 5652=4, ~5264=4...(10) QB ALA 72 - HB3 PHE 57 OK 15 81 - 19 - 5696/2.5=7, 4.2/5652=4...(4) HG3 ARG 27 - HE2 LYS 56 OK 15 89 - 17 - 2671/3.0=2, 2641/3.6=1 HG3 ARG 27 - HE3 LYS 56 OK 15 88 - 17 - 2671/3.0=2, 2641/3.6=1 HG3 ARG 27 - HB3 PHE 57 OK 14 69 - 21 - 1796/1.8=2, ~1788=2...(12) QB ALA 71 - HE3 LYS 56 OK 10 84 - 12 - 5652/1.8=2, 5652=2, 5662/5015=1 QB ALA 71 - HE2 LYS 56 poor 10 85 - 12 - 5652/1.8=2, 5652=1, 5662/5015=1 QB ALA 72 - HE3 LYS 56 poor 10 98 - 10 - 5672/3.6=2, 4.2/5652=2 QB ALA 72 - HE2 LYS 56 lone 10 99 - 10 - 5672/3.6=2, 4.2/5652=1 HG LEU 34 - HB3 PHE 57 poor 9 74 - 12 - 2089/4.0=3, ~4667=1...(4) HD3 LYS 64 - HE2 LYS 56 lone 7 76 - 10 - HD3 LYS 64 - HE3 LYS 56 lone 7 75 - 10 - HB3 LYS 26 - HE2 LYS 56 lone 7 89 - 8 - HB3 LYS 26 - HE3 LYS 56 lone 7 88 - 8 - HG LEU 79 - HB3 PHE 57 poor 7 51 - 13 - 4670/2.5=3, ~5262=2...(5) HD2 LYS 17 - HB3 PHE 57 lone 6 81 - 7 - HD3 LYS 17 - HB3 PHE 57 lone 6 81 - 7 - HG2 GLU 37 - HE3 LYS 56 lone 6 100 - 6 - 4776/3.6=1 HG2 GLU 37 - HE2 LYS 56 lone 6 100 - 6 - 4776/3.6=1 HG LEU 79 - HE2 LYS 56 lone 6 68 - 8 - ~5851=1, ~6177=1 HG LEU 79 - HE3 LYS 56 lone 5 67 - 8 - ~6177=1 HD3 LYS 64 - HB3 PHE 57 lone 5 57 - 8 - ~5256=2, ~4673=1 HB2 LEU 85 - HE2 LYS 56 lone 3 96 - 3 - HB2 LEU 85 - HE3 LYS 56 lone 3 95 - 3 - HG2 GLU 37 - HB3 PHE 57 lone 3 84 - 4 - HB3 LYS 26 - HB3 PHE 57 lone 3 69 - 4 - HB2 LEU 85 - HB3 PHE 57 lone 2 77 - 3 - HB2 ARG 45 - HE2 LYS 56 lone 2 99 - 2 - HB2 ARG 45 - HE3 LYS 56 lone 2 98 - 2 - HB2 ARG 45 - HB3 PHE 57 lone 1 81 - 1 - Peak 2682 from cnoeabs.peaks (1.38, 2.82, 41.78 ppm; 3.48 A): 5 out of 33 assignments used, quality = 1.00: HD3 LYS 56 + HE2 LYS 56 OK 92 92 - 100 - 3.0=100 HD3 LYS 56 + HE3 LYS 56 OK 91 91 - 100 - 3.0=100 * HB3 LYS 56 + HE2 LYS 56 OK 74 100 - 74 - 4.8=39, 2635/3.0=7...(28) HB3 LYS 56 + HE3 LYS 56 OK 74 100 - 74 - 4.8=39, 2635/3.0=7...(28) HB3 LYS 56 + HB3 PHE 57 OK 45 84 - 54 - 2630/3.0=8, 4.6/256=6...(20) HG2 LYS 44 - HE2 LYS 56 OK 44 99 - 45 - 2279/3.0=5, 2283/3.6=4...(23) HG2 LYS 44 - HE3 LYS 56 OK 44 98 - 45 - 2279/3.0=5, 2283/3.6=4...(23) HD3 LYS 56 - HB3 PHE 57 OK 40 72 - 55 - 2677=9, 1.8/2667=5...(27) HG2 LYS 68 - HE2 LYS 56 OK 16 97 - 16 - 3056/3.6=3, 2642/3.6=2...(5) HG2 LYS 68 - HE3 LYS 56 OK 15 97 - 16 - 3056/3.6=3, 2642/3.6=2...(5) HB2 LYS 64 - HE2 LYS 56 OK 11 90 - 12 - 2834/3.0=2, 2642/3.6=1 HB2 LYS 64 - HE3 LYS 56 OK 11 90 - 12 - 2834/3.0=2, 2642/3.6=1 QB ALA 69 - HE2 LYS 56 lone 6 99 - 6 - QB ALA 69 - HE3 LYS 56 lone 6 99 - 6 - HB2 LYS 64 - HB3 PHE 57 lone 6 71 - 9 - ~5256=2, ~4673=1...(4) QB ALA 67 - HE2 LYS 56 lone 6 99 - 6 - 5507/3.6=2 QB ALA 67 - HE3 LYS 56 lone 6 99 - 6 - 5507/3.6=2 HB3 LEU 12 - HE2 LYS 56 lone 6 100 - 6 - HB3 LEU 12 - HE3 LYS 56 lone 6 100 - 6 - HG2 LYS 44 - HB3 PHE 57 lone 4 81 - 5 - 250/4.0=1 HG2 LYS 68 - HB3 PHE 57 lone 3 79 - 3 - QB ALA 89 - HE2 LYS 56 lone 2 78 - 3 - 3.6/937=2 HG2 LYS 91 - HE2 LYS 56 lone 2 65 - 3 - HG3 LYS 91 - HE2 LYS 56 lone 2 65 - 3 - HG2 LYS 91 - HE3 LYS 56 lone 2 65 - 3 - HG3 LYS 91 - HE3 LYS 56 lone 2 65 - 3 - QB ALA 89 - HE3 LYS 56 lone 2 77 - 3 - 3.6/937=2 QB ALA 67 - HB3 PHE 57 lone 2 82 - 2 - HB3 LEU 12 - HB3 PHE 57 lone 1 84 - 2 - QB ALA 69 - HB3 PHE 57 lone 1 82 - 2 - HG3 LYS 91 - HB3 PHE 57 lone 1 49 - 2 - HG2 LYS 91 - HB3 PHE 57 lone 1 49 - 2 - QB ALA 89 - HB3 PHE 57 lone 1 59 - 2 - Peak 2683 from cnoeabs.peaks (1.07, 2.82, 41.78 ppm; 3.82 A): 5 out of 12 assignments used, quality = 1.00: * HG2 LYS 56 + HE2 LYS 56 OK 100 100 - 100 - 3.6=100 HG2 LYS 56 + HE3 LYS 56 OK 100 100 - 100 - 3.6=100 QD2 LEU 34 + HE2 LYS 56 OK 58 99 - 59 - 2673/3.0=11, 2653/3.6=7...(27) QD2 LEU 34 + HE3 LYS 56 OK 58 99 - 59 - 2673/3.0=11, 2653/3.6=7...(27) HG2 LYS 56 + HB3 PHE 57 OK 49 84 - 58 - 2648=10, 2640/3.0=9...(19) QD2 LEU 34 - HB3 PHE 57 OK 19 82 - 23 - 2096/4.0=6, 4682/4.7=5...(4) QG2 THR 38 - HE2 LYS 56 OK 11 96 - 11 - 2673/3.0=2, 4789/4.8=2...(5) QG2 THR 38 - HE3 LYS 56 OK 11 95 - 11 - 2673/3.0=2, 4789/4.8=2...(5) QG2 VAL 66 - HE2 LYS 56 poor 9 68 - 13 - 5466/3.0=3, 2673/3.0=2...(5) QG2 VAL 66 - HE3 LYS 56 poor 9 67 - 13 - 5466/3.0=3, 2673/3.0=2...(5) QG2 THR 38 - HB3 PHE 57 lone 3 77 - 4 - 251/4.0=1 QG2 VAL 66 - HB3 PHE 57 lone 2 51 - 3 - Peak 2684 from cnoeabs.peaks (1.28, 2.82, 41.78 ppm; 3.41 A): 2 out of 27 assignments used, quality = 0.99: * HG3 LYS 56 + HE2 LYS 56 OK 90 100 - 90 - 3.6=83, 2656/3.0=6...(22) HG3 LYS 56 + HE3 LYS 56 OK 90 100 - 90 - 3.6=83, 2656/3.0=6...(22) HD3 LYS 44 - HE2 LYS 56 OK 39 97 - 40 - 2674/3.0=5, 2644/3.6=4...(21) HG3 LYS 56 - HB3 PHE 57 OK 39 84 - 46 - 1.8/2648=6, 2657=5...(17) HD3 LYS 44 - HE3 LYS 56 OK 38 96 - 40 - 2674/3.0=5, 2644/3.6=4...(21) HG3 LYS 17 - HE2 LYS 56 OK 37 98 - 38 - 2674/3.0=4, 2644/3.6=4...(13) HG3 LYS 17 - HE3 LYS 56 OK 37 98 - 38 - 2674/3.0=4, 2644/3.6=4...(13) HB3 LYS 68 - HE2 LYS 56 OK 16 95 - 16 - 2674/3.0=3, 2644/3.6=2...(5) HB3 LYS 68 - HE3 LYS 56 OK 15 94 - 16 - 2674/3.0=3, 2644/3.6=2...(5) HG3 LYS 31 - HE2 LYS 56 OK 14 83 - 17 - 2674/3.0=2, 2644/3.6=2 HG3 LYS 31 - HE3 LYS 56 OK 14 82 - 17 - 2674/3.0=2, 2644/3.6=2 HG3 LYS 65 - HE2 LYS 56 OK 11 90 - 12 - 2653/3.6=2, 2674/3.0=2...(4) HG3 LYS 65 - HE3 LYS 56 OK 11 90 - 12 - 2653/3.6=2, 2674/3.0=2...(4) HB2 LEU 79 - HB3 PHE 57 poor 7 46 - 14 - 5856/4.4=3, 3.1/5851=2...(6) HG3 LYS 17 - HB3 PHE 57 lone 6 80 - 8 - 252/4.0=2 HB2 LEU 79 - HE2 LYS 56 lone 6 63 - 9 - ~5851=1 HB2 LEU 79 - HE3 LYS 56 lone 6 62 - 9 - HB2 LYS 26 - HE2 LYS 56 lone 5 60 - 9 - HB2 LYS 26 - HE3 LYS 56 lone 5 59 - 9 - HB3 LEU 23 - HB3 PHE 57 lone 5 63 - 8 - ~4671=2, ~4668=1 HB3 LEU 23 - HE3 LYS 56 lone 5 82 - 6 - HB3 LEU 23 - HE2 LYS 56 lone 5 83 - 6 - HG3 LYS 65 - HB3 PHE 57 lone 4 71 - 6 - HD3 LYS 44 - HB3 PHE 57 lone 4 78 - 5 - 252/4.0=1 HG3 LYS 31 - HB3 PHE 57 lone 3 63 - 5 - HB3 LYS 68 - HB3 PHE 57 lone 3 75 - 4 - HB2 LYS 26 - HB3 PHE 57 lone 2 44 - 5 - 4515/5.8=1 Peak 2685 from cnoeabs.peaks (1.53, 2.82, 41.78 ppm; 3.27 A): 2 out of 39 assignments used, quality = 1.00: * HD2 LYS 56 + HE2 LYS 56 OK 100 100 - 100 - 3.0=100 HD2 LYS 56 + HE3 LYS 56 OK 100 100 - 100 - 3.0=100 HD2 LYS 56 - HB3 PHE 57 OK 43 84 - 51 - 1.8/2677=6, 2667=6...(26) HG LEU 34 - HE2 LYS 56 OK 36 89 - 41 - 2094/3.6=5, ~2673=4...(19) HG LEU 34 - HE3 LYS 56 OK 36 88 - 41 - 2094/3.6=5, ~2673=4...(19) HB3 LYS 44 - HE2 LYS 56 OK 35 98 - 36 - 2675/3.0=4, 2273/3.6=3...(16) HB3 LYS 44 - HE3 LYS 56 OK 35 98 - 36 - 2675/3.0=4, 2273/3.6=3...(16) HD2 LYS 17 - HE2 LYS 56 OK 27 76 - 36 - 2667=3, 2675/3.0=3...(14) HD3 LYS 17 - HE2 LYS 56 OK 27 76 - 36 - 2667=3, 2675/3.0=3...(14) HD3 LYS 17 - HE3 LYS 56 OK 27 75 - 36 - 2667=3, 2675/3.0=3...(14) HD2 LYS 17 - HE3 LYS 56 OK 27 75 - 36 - 2667=3, 2675/3.0=3...(14) QB ALA 71 - HB3 PHE 57 OK 23 77 - 30 - ~5629=6, 5652=5, ~5264=4...(11) HG3 ARG 27 - HE2 LYS 56 OK 17 93 - 18 - 1794/3.0=2, 2645/3.6=1, ~1787=1 HG3 ARG 27 - HE3 LYS 56 OK 17 93 - 18 - 1794/3.0=2, 2645/3.6=1, ~1787=1 HG3 ARG 27 - HB3 PHE 57 OK 16 74 - 22 - 1796/1.8=2, ~1788=2...(11) QB ALA 71 - HE3 LYS 56 OK 13 95 - 14 - 5652/1.8=2, 5652=2, 5662/5015=1 QB ALA 71 - HE2 LYS 56 OK 13 96 - 14 - 5652/1.8=2, 5652=2, 5662/5015=1 HD3 LYS 64 - HE2 LYS 56 OK 12 99 - 12 - 2879/4.8=1, 2645/3.6=1 HD3 LYS 64 - HE3 LYS 56 OK 12 98 - 12 - 2879/4.8=1, 2645/3.6=1 HG LEU 30 - HB3 PHE 57 OK 10 81 - 13 - ~4672=2, ~5255=2...(5) HG LEU 34 - HB3 PHE 57 poor 8 69 - 12 - 2089/4.0=3, ~4667=1...(4) HB3 LYS 26 - HE2 LYS 56 lone 8 93 - 9 - HB3 LYS 26 - HE3 LYS 56 lone 8 93 - 9 - HD3 LYS 64 - HB3 PHE 57 lone 8 81 - 10 - ~5256=2, ~4673=1 HG LEU 30 - HE3 LYS 56 lone 7 98 - 7 - HG LEU 30 - HE2 LYS 56 lone 7 99 - 7 - HB3 LEU 87 - HE2 LYS 56 lone 6 100 - 6 - HB3 LEU 87 - HE3 LYS 56 lone 6 100 - 6 - HD2 LYS 17 - HB3 PHE 57 lone 4 57 - 8 - HD3 LYS 17 - HB3 PHE 57 lone 4 57 - 8 - HB3 LYS 44 - HB3 PHE 57 lone 4 80 - 5 - HB3 LEU 87 - HB3 PHE 57 lone 4 84 - 4 - HB3 LYS 26 - HB3 PHE 57 lone 4 74 - 5 - HB2 LEU 85 - HE2 LYS 56 lone 3 85 - 3 - HB2 LEU 85 - HE3 LYS 56 lone 3 84 - 3 - HB2 LEU 85 - HB3 PHE 57 lone 2 65 - 3 - HB2 ARG 45 - HE2 LYS 56 lone 1 76 - 2 - HB2 ARG 45 - HE3 LYS 56 lone 1 75 - 2 - HB2 ARG 45 - HB3 PHE 57 lone 1 57 - 1 - Peak 2686 from cnoeabs.peaks (1.39, 2.82, 41.78 ppm; 3.45 A): 5 out of 33 assignments used, quality = 1.00: * HD3 LYS 56 + HE2 LYS 56 OK 100 100 - 100 - 3.0=100 HD3 LYS 56 + HE3 LYS 56 OK 100 100 - 100 - 3.0=100 HB3 LYS 56 + HE2 LYS 56 OK 67 92 - 73 - 4.8=38, 2635/3.0=6...(28) HB3 LYS 56 + HE3 LYS 56 OK 67 91 - 73 - 4.8=38, 2635/3.0=6...(28) HD3 LYS 56 + HB3 PHE 57 OK 46 84 - 55 - 2677=9, 1.8/2667=5...(27) HB3 LYS 56 - HB3 PHE 57 OK 38 72 - 52 - 2630/3.0=7, 4.6/256=6...(20) HG2 LYS 44 - HE2 LYS 56 OK 31 76 - 41 - 2279/3.0=4, 2283/3.6=3...(23) HG2 LYS 44 - HE3 LYS 56 OK 31 75 - 41 - 2279/3.0=4, 2283/3.6=3...(23) HD2 LYS 44 - HE2 LYS 56 OK 26 63 - 41 - 2299/3.0=3, ~2674=3...(23) HD2 LYS 44 - HE3 LYS 56 OK 25 62 - 41 - 2299/3.0=3, ~2674=3...(24) HB3 LEU 34 - HE2 LYS 56 OK 25 60 - 42 - 2087/3.6=4, ~2673=3...(23) HB3 LEU 34 - HE3 LYS 56 OK 25 59 - 42 - 2087/3.6=4, ~2673=3...(23) HG2 LYS 31 - HE2 LYS 56 OK 17 92 - 18 - 1953/3.6=2, 2646/3.6=2...(6) HG2 LYS 31 - HE3 LYS 56 OK 17 91 - 18 - 1953/3.6=2, 2646/3.6=2...(5) HG2 ARG 27 - HE2 LYS 56 OK 15 71 - 21 - 1787/3.0=1, ~1794=1...(4) HG2 ARG 27 - HE3 LYS 56 OK 14 70 - 21 - 1787/3.0=1, ~1794=1...(4) HG2 ARG 27 - HB3 PHE 57 OK 14 53 - 26 - 4542/5.8=3, ~1796=2...(15) HG2 LYS 68 - HE2 LYS 56 poor 10 71 - 14 - 3056/3.6=2, 2642/3.6=2...(4) HG2 LYS 68 - HE3 LYS 56 poor 10 70 - 14 - 3056/3.6=2, 2642/3.6=2...(4) QB ALA 69 - HE2 LYS 56 lone 6 99 - 6 - QB ALA 69 - HE3 LYS 56 lone 6 98 - 6 - HB3 LEU 34 - HB3 PHE 57 poor 5 44 - 11 - 2082/4.0=3, ~4667=2...(4) HB3 LEU 12 - HE2 LYS 56 lone 4 89 - 5 - HB3 LEU 12 - HE3 LYS 56 lone 4 88 - 5 - QB ALA 67 - HE2 LYS 56 lone 4 78 - 5 - 5507/3.6=2 QB ALA 67 - HE3 LYS 56 lone 4 77 - 5 - 5507/3.6=2 HG2 LYS 31 - HB3 PHE 57 lone 3 72 - 4 - HG2 LYS 44 - HB3 PHE 57 lone 2 57 - 4 - 250/4.0=1 HD2 LYS 44 - HB3 PHE 57 lone 1 46 - 3 - HG2 LYS 68 - HB3 PHE 57 lone 1 53 - 3 - QB ALA 69 - HB3 PHE 57 lone 1 81 - 1 - QB ALA 67 - HB3 PHE 57 lone 1 59 - 2 - HB3 LEU 12 - HB3 PHE 57 lone 1 69 - 1 - Peak 2687 from cnoeabs.peaks (2.82, 2.82, 41.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE2 LYS 56 + HE2 LYS 56 OK 100 100 - 100 HE3 LYS 56 + HE3 LYS 56 OK 100 100 - 100 HB3 PHE 57 + HB3 PHE 57 OK 77 77 - 100 Peak 2688 from cnoeabs.peaks (2.81, 2.82, 41.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 56 + HE3 LYS 56 OK 100 100 - 100 HE2 LYS 56 + HE2 LYS 56 OK 100 100 - 100 HB3 PHE 57 + HB3 PHE 57 OK 81 81 - 100 Reference assignment not found: HE3 LYS 56 - HE2 LYS 56 Peak 2689 from cnoeabs.peaks (8.20, 2.81, 41.78 ppm; 4.77 A): 5 out of 15 assignments used, quality = 1.00: * H LYS 56 + HE3 LYS 56 OK 86 100 - 86 - 7.4=27, 762/3.6=19...(20) H LYS 56 + HE2 LYS 56 OK 86 100 - 86 - 7.4=27, 762/3.6=19...(20) H LYS 56 + HB3 PHE 57 OK 61 89 - 69 - 766=11, 988/4.0=11...(18) HE21 GLN 58 + HE3 LYS 56 OK 49 97 - 51 - 2669/3.0=9, 2639/3.6=8...(13) HE21 GLN 58 + HE2 LYS 56 OK 49 96 - 51 - 2669/3.0=9, 2639/3.6=8...(13) H LEU 79 - HB3 PHE 57 OK 34 84 - 40 - 369/4.4=10, 5853/5.8=9...(8) H LEU 79 - HE3 LYS 56 OK 34 98 - 34 - 2669/3.0=6, 2639/3.6=6...(10) H LEU 79 - HE2 LYS 56 OK 32 98 - 33 - 2669/3.0=6, 2639/3.6=6...(9) H LEU 87 - HE3 LYS 56 OK 23 97 - 24 - 2669/3.0=4, 2639/3.6=4...(7) H LEU 87 - HE2 LYS 56 OK 23 96 - 23 - 2669/3.0=4, 2639/3.6=4...(7) HE21 GLN 58 - HB3 PHE 57 OK 21 82 - 25 - 6.6/260=7, 247/4.0=5...(4) H LEU 87 - HB3 PHE 57 poor 10 82 - 12 - 4651/4.4=3, 247/4.0=2 H GLU 22 - HE3 LYS 56 poor 8 60 - 14 - 2639/3.6=2, 2619/4.8=2...(7) H GLU 22 - HE2 LYS 56 poor 8 59 - 14 - 2639/3.6=2, 2619/4.8=2...(7) H GLU 22 - HB3 PHE 57 lone 3 47 - 6 - 5744/5759=1 Peak 2690 from cnoeabs.peaks (4.66, 2.81, 41.78 ppm; 3.72 A): 6 out of 15 assignments used, quality = 1.00: HA PHE 57 + HB3 PHE 57 OK 84 84 - 100 - 3.0=100 * HA LYS 56 + HE3 LYS 56 OK 78 100 - 78 - 6.0=23, 2613/3.6=13...(35) HA LYS 56 + HE2 LYS 56 OK 78 100 - 78 - 6.0=23, 2613/3.6=13...(34) HA PHE 57 + HE3 LYS 56 OK 74 98 - 75 - 2702=10, 2702/1.8=8...(33) HA PHE 57 + HE2 LYS 56 OK 73 98 - 75 - 2702=10, 2702/1.8=9...(33) HA LYS 56 + HB3 PHE 57 OK 55 89 - 62 - 3991/4.0=13, 4565/2.5=11...(22) HA ASN 90 - HE3 LYS 56 OK 32 99 - 33 - 3681/1.8=5, 3681=5...(11) HA ASN 90 - HE2 LYS 56 OK 32 98 - 33 - 3681=6, 3681/1.8=5...(10) HA ASN 90 - HB3 PHE 57 OK 17 85 - 19 - 2706/1.8=2, 3681=2...(6) HA GLU 33 - HE3 LYS 56 poor 8 60 - 14 - 3.6/3999=2, 2640/3.6=2...(5) HA GLU 33 - HE2 LYS 56 poor 8 59 - 14 - 3.6/3999=2, 2640/3.6=2...(5) HA GLU 33 - HB3 PHE 57 poor 7 47 - 16 - 3911/4.0=3, 2706/1.8=2...(8) HA HIS 42 - HB3 PHE 57 lone 1 47 - 2 - HA HIS 42 - HE3 LYS 56 lone 1 60 - 1 - HA HIS 42 - HE2 LYS 56 lone 1 59 - 1 - Peak 2691 from cnoeabs.peaks (1.50, 2.81, 41.78 ppm; 3.41 A): 3 out of 39 assignments used, quality = 0.96: * HB2 LYS 56 + HE3 LYS 56 OK 74 100 - 74 - 4.8=37, 2671/3.0=10...(29) HB2 LYS 56 + HE2 LYS 56 OK 74 100 - 74 - 4.8=37, 2671/3.0=10...(29) HB2 LYS 56 + HB3 PHE 57 OK 48 89 - 55 - 2620/3.0=7, 4.6/771=5...(22) HG LEU 34 - HE3 LYS 56 OK 42 93 - 45 - 2094/3.6=6, 2671/3.0=5...(21) HG LEU 34 - HE2 LYS 56 OK 42 93 - 45 - 2094/3.6=6, 2671/3.0=5...(21) HD3 LYS 17 - HE3 LYS 56 OK 39 99 - 40 - 2671/3.0=5, 2641/3.6=3...(20) HD2 LYS 17 - HE3 LYS 56 OK 39 99 - 40 - 2671/3.0=5, 2641/3.6=3...(20) HD2 LYS 17 - HE2 LYS 56 OK 39 98 - 40 - 2671/3.0=5, 2641/3.6=3...(21) HD3 LYS 17 - HE2 LYS 56 OK 39 98 - 40 - 2671/3.0=5, 2641/3.6=3...(21) QB ALA 71 - HB3 PHE 57 OK 24 70 - 34 - ~5629=7, 5652=5, ~5264=4...(11) QB ALA 72 - HB3 PHE 57 OK 20 85 - 23 - 5696/2.5=8, 4.2/5652=5...(5) HG3 ARG 27 - HB3 PHE 57 OK 18 73 - 24 - 1796/1.8=3, ~1788=2...(13) HG3 ARG 27 - HE3 LYS 56 OK 17 89 - 20 - 2671/3.0=2, 2641/3.6=1, ~1787=1 HG3 ARG 27 - HE2 LYS 56 OK 17 88 - 20 - 2671/3.0=2, 2641/3.6=1, ~1787=1 QB ALA 71 - HE3 LYS 56 OK 12 85 - 14 - 5652=2, 5652/1.8=2, 5662/5015=1 QB ALA 72 - HE3 LYS 56 OK 12 99 - 12 - 4.2/5652=2, 5672/3.6=2 QB ALA 71 - HE2 LYS 56 OK 12 84 - 14 - 5652/1.8=2, 5652=2, 5662/5015=1 QB ALA 72 - HE2 LYS 56 OK 11 98 - 12 - 5672/3.6=2, 4.2/5652=2 HG LEU 34 - HB3 PHE 57 OK 11 78 - 14 - 2089/4.0=3, ~4667=2...(4) HD3 LYS 64 - HE3 LYS 56 poor 9 76 - 12 - 2879/4.8=1, 2671/3.0=1 HD3 LYS 64 - HE2 LYS 56 poor 9 75 - 12 - 2879/4.8=1, 2671/3.0=1 HG LEU 79 - HB3 PHE 57 poor 8 54 - 16 - 4670/2.5=3, 2.1/5851=3...(5) HB3 LYS 26 - HE3 LYS 56 lone 8 89 - 9 - 2671/3.0=1 HB3 LYS 26 - HE2 LYS 56 lone 8 88 - 9 - 2671/3.0=1 HD2 LYS 17 - HB3 PHE 57 lone 7 85 - 9 - 249/4.0=1 HD3 LYS 17 - HB3 PHE 57 lone 7 85 - 9 - 249/4.0=1 HG2 GLU 37 - HE3 LYS 56 lone 7 100 - 7 - 4776/3.6=2 HG2 GLU 37 - HE2 LYS 56 lone 7 100 - 7 - 4776/3.6=2 HG LEU 79 - HE2 LYS 56 lone 7 67 - 10 - ~5851=1, ~6177=1 HG LEU 79 - HE3 LYS 56 lone 7 68 - 10 - ~6177=1, 2.1/5851=1 HD3 LYS 64 - HB3 PHE 57 lone 6 61 - 9 - ~5256=2, ~4673=1...(4) HB2 LEU 85 - HE3 LYS 56 lone 4 96 - 4 - HB3 LYS 26 - HB3 PHE 57 lone 4 73 - 5 - HG2 GLU 37 - HB3 PHE 57 lone 4 89 - 4 - HB2 LEU 85 - HE2 LYS 56 lone 4 95 - 4 - HB2 LEU 85 - HB3 PHE 57 lone 3 81 - 4 - HB2 ARG 45 - HE3 LYS 56 lone 3 99 - 3 - HB2 ARG 45 - HE2 LYS 56 lone 3 98 - 3 - HB2 ARG 45 - HB3 PHE 57 lone 1 85 - 2 - Peak 2692 from cnoeabs.peaks (1.38, 2.81, 41.78 ppm; 3.38 A): 5 out of 33 assignments used, quality = 1.00: HD3 LYS 56 + HE3 LYS 56 OK 92 92 - 100 - 3.0=100 HD3 LYS 56 + HE2 LYS 56 OK 91 91 - 100 - 3.0=100 * HB3 LYS 56 + HE3 LYS 56 OK 71 100 - 71 - 4.8=36, 2635/3.0=7...(28) HB3 LYS 56 + HE2 LYS 56 OK 71 100 - 71 - 4.8=36, 2635/3.0=7...(28) HB3 LYS 56 + HB3 PHE 57 OK 45 89 - 51 - 2630/3.0=7, 4.6/771=5...(20) HG2 LYS 44 - HE3 LYS 56 OK 42 99 - 43 - 2279/3.0=5, 2283/3.6=4...(23) HG2 LYS 44 - HE2 LYS 56 OK 42 98 - 43 - 2279/3.0=5, 2283/3.6=4...(23) HD3 LYS 56 - HB3 PHE 57 OK 40 77 - 52 - 2677=8, 1.8/2667=5...(26) HG2 LYS 68 - HE3 LYS 56 OK 15 97 - 15 - 3056/3.6=3, 2642/3.6=2...(4) HG2 LYS 68 - HE2 LYS 56 OK 14 97 - 15 - 3056/3.6=3, 2642/3.6=2...(4) HB2 LYS 64 - HE3 LYS 56 OK 10 90 - 11 - 2834/3.0=2, 2642/3.6=1 HB2 LYS 64 - HE2 LYS 56 poor 10 90 - 11 - 2834/3.0=2, 2642/3.6=1 HB2 LYS 64 - HB3 PHE 57 lone 7 75 - 9 - ~5256=2, ~4673=1...(4) QB ALA 69 - HE3 LYS 56 lone 6 99 - 6 - QB ALA 69 - HE2 LYS 56 lone 6 99 - 6 - QB ALA 67 - HE3 LYS 56 lone 6 99 - 6 - 5507/3.6=2 QB ALA 67 - HE2 LYS 56 lone 6 99 - 6 - 5507/3.6=2 HB3 LEU 12 - HE3 LYS 56 lone 5 100 - 5 - HB3 LEU 12 - HE2 LYS 56 lone 5 100 - 5 - HG2 LYS 44 - HB3 PHE 57 lone 4 85 - 5 - 250/4.0=1 HG2 LYS 68 - HB3 PHE 57 lone 3 83 - 3 - QB ALA 67 - HB3 PHE 57 lone 2 86 - 2 - HG2 LYS 91 - HE2 LYS 56 lone 2 65 - 3 - HG3 LYS 91 - HE2 LYS 56 lone 2 65 - 3 - QB ALA 89 - HE2 LYS 56 lone 2 77 - 3 - 3.6/937=1 HG2 LYS 91 - HE3 LYS 56 lone 2 65 - 3 - HG3 LYS 91 - HE3 LYS 56 lone 2 65 - 3 - QB ALA 89 - HE3 LYS 56 lone 2 78 - 2 - 3.6/937=1 HB3 LEU 12 - HB3 PHE 57 lone 1 88 - 1 - QB ALA 69 - HB3 PHE 57 lone 1 86 - 2 - HG3 LYS 91 - HB3 PHE 57 lone 1 52 - 2 - HG2 LYS 91 - HB3 PHE 57 lone 1 52 - 2 - QB ALA 89 - HB3 PHE 57 lone 1 63 - 1 - Peak 2693 from cnoeabs.peaks (1.07, 2.81, 41.78 ppm; 3.70 A): 5 out of 12 assignments used, quality = 1.00: * HG2 LYS 56 + HE3 LYS 56 OK 100 100 - 100 - 3.6=100 HG2 LYS 56 + HE2 LYS 56 OK 100 100 - 100 - 3.6=100 QD2 LEU 34 + HE3 LYS 56 OK 56 99 - 57 - 2673/3.0=10, 2653/3.6=7...(27) QD2 LEU 34 + HE2 LYS 56 OK 56 99 - 57 - 2673/3.0=10, 2653/3.6=7...(27) HG2 LYS 56 + HB3 PHE 57 OK 49 89 - 56 - 2648=9, 2640/3.0=9...(19) QD2 LEU 34 - HB3 PHE 57 OK 19 86 - 22 - 2096/4.0=6, 4682/4.7=4...(4) QG2 THR 38 - HE3 LYS 56 OK 10 96 - 10 - 2673/3.0=2, 4789/4.8=2...(5) QG2 THR 38 - HE2 LYS 56 poor 10 95 - 10 - 2673/3.0=2, 4789/4.8=2...(5) QG2 VAL 66 - HE3 LYS 56 poor 9 68 - 13 - 5466/3.0=3, 2673/3.0=2...(5) QG2 VAL 66 - HE2 LYS 56 poor 9 67 - 13 - 5466/3.0=3, 2673/3.0=2...(5) QG2 THR 38 - HB3 PHE 57 lone 3 81 - 4 - 251/4.0=1 QG2 VAL 66 - HB3 PHE 57 lone 2 54 - 3 - Peak 2694 from cnoeabs.peaks (1.28, 2.81, 41.78 ppm; 3.56 A): 2 out of 27 assignments used, quality = 1.00: * HG3 LYS 56 + HE3 LYS 56 OK 96 100 - 96 - 3.6=93, 2656/3.0=7...(22) HG3 LYS 56 + HE2 LYS 56 OK 96 100 - 96 - 3.6=93, 2656/3.0=7...(22) HG3 LYS 56 - HB3 PHE 57 OK 43 89 - 49 - 1.8/2648=7, 2657=6...(18) HD3 LYS 44 - HE3 LYS 56 OK 42 97 - 44 - 2674/3.0=5, 2644/3.6=4...(24) HD3 LYS 44 - HE2 LYS 56 OK 41 96 - 44 - 2674/3.0=5, 2644/3.6=4...(24) HG3 LYS 17 - HE3 LYS 56 OK 40 98 - 41 - 2674/3.0=5, 2644/3.6=4...(15) HG3 LYS 17 - HE2 LYS 56 OK 40 98 - 41 - 2674/3.0=5, 2644/3.6=4...(15) HB3 LYS 68 - HE3 LYS 56 OK 17 95 - 18 - 2674/3.0=3, 2644/3.6=2...(5) HB3 LYS 68 - HE2 LYS 56 OK 17 94 - 18 - 2674/3.0=3, 2644/3.6=2...(5) HG3 LYS 31 - HE3 LYS 56 OK 15 83 - 19 - 2674/3.0=2, 2644/3.6=2...(4) HG3 LYS 31 - HE2 LYS 56 OK 15 82 - 19 - 2674/3.0=2, 2644/3.6=2...(4) HG3 LYS 65 - HE3 LYS 56 OK 12 90 - 13 - 2653/3.6=2, 2674/3.0=2...(6) HG3 LYS 65 - HE2 LYS 56 OK 12 90 - 13 - 2653/3.6=2, 2674/3.0=2...(6) HB2 LEU 79 - HB3 PHE 57 poor 8 50 - 16 - 5856/4.4=3, 3.1/5851=3...(6) HG3 LYS 17 - HB3 PHE 57 lone 8 84 - 9 - 252/4.0=2 HB2 LEU 79 - HE3 LYS 56 poor 6 63 - 10 - 3.1/5851=1, 2674/3.0=1, ~6177=1 HB2 LEU 79 - HE2 LYS 56 poor 6 62 - 10 - ~5851=1, 2674/3.0=1, ~6177=1 HB3 LEU 23 - HB3 PHE 57 lone 6 68 - 9 - ~4671=2, ~4668=1, ~5259=1 HB2 LYS 26 - HE3 LYS 56 lone 6 60 - 10 - HB2 LYS 26 - HE2 LYS 56 lone 6 59 - 10 - HB3 LEU 23 - HE3 LYS 56 lone 5 83 - 6 - HB3 LEU 23 - HE2 LYS 56 lone 5 82 - 6 - HG3 LYS 65 - HB3 PHE 57 lone 5 75 - 7 - HD3 LYS 44 - HB3 PHE 57 lone 4 82 - 5 - 252/4.0=1 HG3 LYS 31 - HB3 PHE 57 lone 4 68 - 5 - HB3 LYS 68 - HB3 PHE 57 lone 3 80 - 4 - HB2 LYS 26 - HB3 PHE 57 lone 2 47 - 5 - 4515/5.8=1 Peak 2695 from cnoeabs.peaks (1.53, 2.81, 41.78 ppm; 3.36 A): 3 out of 39 assignments used, quality = 1.00: * HD2 LYS 56 + HE3 LYS 56 OK 100 100 - 100 - 3.0=100 HD2 LYS 56 + HE2 LYS 56 OK 100 100 - 100 - 3.0=100 HD2 LYS 56 + HB3 PHE 57 OK 47 89 - 53 - 1.8/2678=6, 2668=6...(28) HG LEU 34 - HE3 LYS 56 OK 38 89 - 43 - 2094/3.6=6, ~2673=4...(20) HG LEU 34 - HE2 LYS 56 OK 38 88 - 43 - 2094/3.6=6, ~2673=4...(20) HB3 LYS 44 - HE3 LYS 56 OK 37 98 - 38 - 2675/3.0=4, 2273/3.6=4...(19) HB3 LYS 44 - HE2 LYS 56 OK 37 98 - 38 - 2675/3.0=4, 2273/3.6=4...(19) HD2 LYS 17 - HE3 LYS 56 OK 29 76 - 38 - 2668=3, 2675/3.0=3...(18) HD3 LYS 17 - HE3 LYS 56 OK 29 76 - 38 - 2668=3, 2675/3.0=3...(18) HD2 LYS 17 - HE2 LYS 56 OK 28 75 - 38 - 2668=3, 2675/3.0=3...(18) HD3 LYS 17 - HE2 LYS 56 OK 28 75 - 38 - 2668=3, 2675/3.0=3...(18) QB ALA 71 - HB3 PHE 57 OK 28 81 - 34 - ~5629=7, 5652=5, ~5264=4...(12) HG3 ARG 27 - HB3 PHE 57 OK 18 78 - 24 - 1796/1.8=3, ~1788=2...(11) HG3 ARG 27 - HE3 LYS 56 OK 18 93 - 20 - 1794/3.0=2, 2645/3.6=1, ~1787=1 HG3 ARG 27 - HE2 LYS 56 OK 18 93 - 19 - 1794/3.0=2, 2645/3.6=1, ~1787=1 QB ALA 71 - HE3 LYS 56 OK 15 96 - 15 - 5652=2, 5652/1.8=2, 5662/5015=1 QB ALA 71 - HE2 LYS 56 OK 14 95 - 15 - 5652/1.8=2, 5652=2, 5662/5015=1 HD3 LYS 64 - HE3 LYS 56 OK 13 99 - 13 - 2879/4.8=1, 2645/3.6=1 HD3 LYS 64 - HE2 LYS 56 OK 13 98 - 13 - 2879/4.8=1, 2645/3.6=1 HG LEU 30 - HB3 PHE 57 OK 12 85 - 14 - ~4672=2, ~5255=2...(5) HG LEU 34 - HB3 PHE 57 poor 10 73 - 13 - 2089/4.0=3, ~4667=2...(4) HD3 LYS 64 - HB3 PHE 57 poor 9 85 - 10 - ~5256=2, ~4673=1...(4) HB3 LYS 26 - HE3 LYS 56 lone 9 93 - 9 - HB3 LYS 26 - HE2 LYS 56 lone 9 93 - 9 - HG LEU 30 - HE3 LYS 56 lone 8 99 - 8 - HG LEU 30 - HE2 LYS 56 lone 8 98 - 8 - HB3 LEU 87 - HE3 LYS 56 lone 6 100 - 6 - HB3 LEU 87 - HE2 LYS 56 lone 6 100 - 6 - HD3 LYS 17 - HB3 PHE 57 lone 5 61 - 8 - HD2 LYS 17 - HB3 PHE 57 lone 5 61 - 8 - HB3 LYS 44 - HB3 PHE 57 lone 4 84 - 5 - HB3 LYS 26 - HB3 PHE 57 lone 4 78 - 5 - HB3 LEU 87 - HB3 PHE 57 lone 4 89 - 5 - HB2 LEU 85 - HE3 LYS 56 lone 3 85 - 4 - HB2 LEU 85 - HE2 LYS 56 lone 3 84 - 4 - HB2 LEU 85 - HB3 PHE 57 lone 2 70 - 3 - HB2 ARG 45 - HE3 LYS 56 lone 2 76 - 2 - HB2 ARG 45 - HE2 LYS 56 lone 2 75 - 2 - HB2 ARG 45 - HB3 PHE 57 lone 1 61 - 1 - Peak 2696 from cnoeabs.peaks (1.39, 2.81, 41.78 ppm; 3.37 A): 5 out of 33 assignments used, quality = 1.00: * HD3 LYS 56 + HE3 LYS 56 OK 100 100 - 100 - 3.0=100 HD3 LYS 56 + HE2 LYS 56 OK 100 100 - 100 - 3.0=100 HB3 LYS 56 + HE3 LYS 56 OK 65 92 - 71 - 4.8=35, 2635/3.0=6...(28) HB3 LYS 56 + HE2 LYS 56 OK 65 91 - 71 - 4.8=35, 2635/3.0=6...(28) HD3 LYS 56 + HB3 PHE 57 OK 47 89 - 53 - 2677=8, 1.8/2667=5...(27) HB3 LYS 56 - HB3 PHE 57 OK 39 77 - 50 - 2630/3.0=7, 4.6/771=5...(20) HG2 LYS 44 - HE3 LYS 56 OK 30 76 - 40 - 2279/3.0=4, 2283/3.6=3...(23) HG2 LYS 44 - HE2 LYS 56 OK 30 75 - 40 - 2279/3.0=4, 2283/3.6=3...(23) HD2 LYS 44 - HE3 LYS 56 OK 25 63 - 39 - 2299/3.0=3, ~2674=3...(23) HD2 LYS 44 - HE2 LYS 56 OK 24 62 - 39 - 2299/3.0=3, ~2674=3...(23) HB3 LEU 34 - HE3 LYS 56 OK 24 60 - 40 - 2087/3.6=4, ~2673=3...(22) HB3 LEU 34 - HE2 LYS 56 OK 24 59 - 40 - 2087/3.6=4, ~2673=3...(22) HG2 LYS 31 - HE3 LYS 56 OK 16 92 - 17 - 1953/3.6=2, 2646/3.6=1...(4) HG2 LYS 31 - HE2 LYS 56 OK 16 91 - 17 - 1953/3.6=2, 2646/3.6=1...(4) HG2 ARG 27 - HE3 LYS 56 OK 14 71 - 20 - 1787/3.0=1, ~1794=1...(4) HG2 ARG 27 - HB3 PHE 57 OK 14 57 - 25 - 4542/5.8=2, ~1796=2...(14) HG2 ARG 27 - HE2 LYS 56 OK 14 70 - 20 - 1787/3.0=1, ~1794=1...(4) HG2 LYS 68 - HE3 LYS 56 poor 9 71 - 13 - 3056/3.6=2, 2642/3.6=2 HG2 LYS 68 - HE2 LYS 56 poor 9 70 - 13 - 3056/3.6=2, 2642/3.6=2 QB ALA 69 - HE3 LYS 56 lone 5 99 - 5 - QB ALA 69 - HE2 LYS 56 lone 5 98 - 5 - HB3 LEU 34 - HB3 PHE 57 poor 5 47 - 11 - 2082/4.0=3, ~4667=2, 4668/3.0=1 HB3 LEU 12 - HE3 LYS 56 lone 4 89 - 5 - HB3 LEU 12 - HE2 LYS 56 lone 4 88 - 5 - QB ALA 67 - HE3 LYS 56 lone 4 78 - 5 - 5507/3.6=1 QB ALA 67 - HE2 LYS 56 lone 4 77 - 5 - 5507/3.6=1 HG2 LYS 31 - HB3 PHE 57 lone 3 77 - 4 - HG2 LYS 44 - HB3 PHE 57 lone 2 61 - 4 - 250/4.0=1 HD2 LYS 44 - HB3 PHE 57 lone 1 50 - 3 - HG2 LYS 68 - HB3 PHE 57 lone 1 57 - 2 - QB ALA 69 - HB3 PHE 57 lone 1 85 - 1 - QB ALA 67 - HB3 PHE 57 lone 1 63 - 2 - HB3 LEU 12 - HB3 PHE 57 lone 1 73 - 1 - Peak 2697 from cnoeabs.peaks (2.82, 2.81, 41.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 56 + HE3 LYS 56 OK 100 100 - 100 HE2 LYS 56 + HE2 LYS 56 OK 100 100 - 100 HB3 PHE 57 + HB3 PHE 57 OK 81 81 - 100 Reference assignment not found: HE2 LYS 56 - HE3 LYS 56 Peak 2698 from cnoeabs.peaks (2.81, 2.81, 41.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 56 + HE3 LYS 56 OK 100 100 - 100 HE2 LYS 56 + HE2 LYS 56 OK 100 100 - 100 HB3 PHE 57 + HB3 PHE 57 OK 85 85 - 100 Peak 2699 from cnoeabs.peaks (8.80, 4.65, 57.36 ppm; 3.81 A): 1 out of 4 assignments used, quality = 1.00: * H PHE 57 + HA PHE 57 OK 100 100 - 100 - 2.9=100 H LEU 34 - HA PHE 57 OK 34 99 - 35 - 149=5, 257/3.6=3...(12) H ASN 18 - HA PHE 57 OK 19 93 - 20 - 4649/3.7=3, 2705/3.0=2...(7) H GLY 54 - HA PHE 57 OK 18 90 - 20 - 235/3.0=4, 4649/3.7=3...(5) Peak 2700 from cnoeabs.peaks (4.65, 4.65, 57.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 57 + HA PHE 57 OK 100 100 - 100 Peak 2701 from cnoeabs.peaks (3.17, 4.65, 57.36 ppm; 3.46 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PHE 57 + HA PHE 57 OK 100 100 - 100 - 3.0=100 HD3 PRO 81 - HA PHE 57 OK 21 98 - 21 - 259/3.6=4, 4566/3.7=3...(9) HD2 ARG 27 - HA PHE 57 OK 19 85 - 23 - 4566/3.7=3, 770/2.9=2...(9) HB2 PHE 80 - HA PHE 57 OK 19 95 - 20 - 4566/3.7=4, 3430/5.6=3...(8) HD2 ARG 28 - HA PHE 57 lone 9 100 - 9 - 4566/3.7=1, 770/2.9=1 Peak 2702 from cnoeabs.peaks (2.80, 4.65, 57.36 ppm; 4.11 A): 3 out of 5 assignments used, quality = 1.00: * HB3 PHE 57 + HA PHE 57 OK 100 100 - 100 - 3.0=100 HE3 LYS 56 + HA PHE 57 OK 79 99 - 81 - 2708/3.0=9, 3.6/2640=9...(35) HE2 LYS 56 + HA PHE 57 OK 77 96 - 80 - 3.6/2640=9, 2708/3.0=9...(35) HB3 ASP 53 - HA PHE 57 OK 17 81 - 21 - 3983/2.9=4, ~3982=2...(10) HB2 ASN 90 - HA PHE 57 OK 15 63 - 24 - 1.8/3692=4, 3686=3...(9) Peak 2704 from cnoeabs.peaks (7.16, 4.65, 57.36 ppm; 3.44 A): 2 out of 2 assignments used, quality = 0.92: * QD PHE 57 + HA PHE 57 OK 91 100 - 91 - 3.7=79, 773/2.9=22...(15) HD2 HIS 15 + HA PHE 57 OK 14 98 - 14 - 2710/3.0=3, 773/2.9=3...(5) Peak 2705 from cnoeabs.peaks (8.80, 3.17, 41.58 ppm; 4.82 A): 1 out of 4 assignments used, quality = 1.00: * H PHE 57 + HB2 PHE 57 OK 100 100 - 100 - 4.0=100 H LEU 34 - HB2 PHE 57 OK 30 99 - 30 - 2699/3.0=8, 4649/2.5=6...(7) H GLY 54 - HB2 PHE 57 OK 27 90 - 30 - 235/1.8=7, 4649/2.5=6...(6) H ASN 18 - HB2 PHE 57 OK 20 93 - 21 - 4649/2.5=5, 2699/3.0=5...(5) Peak 2706 from cnoeabs.peaks (4.65, 3.17, 41.58 ppm; 4.10 A): 2 out of 6 assignments used, quality = 1.00: * HA PHE 57 + HB2 PHE 57 OK 100 100 - 100 - 3.0=100 HA LYS 56 + HB2 PHE 57 OK 69 98 - 70 - 3.6/770=16, 4565/2.5=13...(31) HA ASN 90 - HB2 PHE 57 OK 17 89 - 18 - 4565/2.5=3, 3681/1.8=2...(8) HA GLU 33 - HB2 PHE 57 OK 16 83 - 20 - 3911/4.0=5, 3.6/2705=4...(8) HA ASN 24 - HB2 PHE 57 lone 4 71 - 6 - 3.6/5241=3 HA HIS 42 - HB2 PHE 57 lone 2 83 - 2 - Peak 2707 from cnoeabs.peaks (3.17, 3.17, 41.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 57 + HB2 PHE 57 OK 100 100 - 100 Peak 2708 from cnoeabs.peaks (2.80, 3.17, 41.58 ppm; 3.27 A): 3 out of 5 assignments used, quality = 1.00: * HB3 PHE 57 + HB2 PHE 57 OK 100 100 - 100 - 1.8=100 HE3 LYS 56 + HB2 PHE 57 OK 55 99 - 56 - 2713=8, 4567/2.5=7...(24) HE2 LYS 56 + HB2 PHE 57 OK 53 96 - 55 - 2713=7, 4567/2.5=6...(24) HB3 ASP 53 - HB2 PHE 57 OK 12 81 - 15 - 4.1/5240=2, 3983/4.0=2...(7) HB2 ASN 90 - HB2 PHE 57 poor 7 63 - 11 - 3.0/2706=2, ~3692=1, 3686/3.0=1 Peak 2710 from cnoeabs.peaks (7.16, 3.17, 41.58 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 57 + HB2 PHE 57 OK 100 100 - 100 - 2.5=100 HD2 HIS 15 - HB2 PHE 57 OK 17 98 - 16 - 2704/3.0=4, 2716/1.8=3...(5) Peak 2711 from cnoeabs.peaks (8.80, 2.80, 41.58 ppm; 4.40 A): 3 out of 12 assignments used, quality = 1.00: * H PHE 57 + HB3 PHE 57 OK 100 100 - 100 - 4.0=100 H PHE 57 + HE3 LYS 56 OK 70 89 - 79 - 255=11, 255/1.8=11...(27) H PHE 57 + HE2 LYS 56 OK 66 84 - 79 - 255=11, 255/1.8=11...(27) H LEU 34 - HE3 LYS 56 OK 41 87 - 47 - 666/3.6=11, 664/3.0=6...(13) H LEU 34 - HE2 LYS 56 OK 38 83 - 47 - 666/3.6=11, 664/3.0=6...(13) H GLY 54 - HB3 PHE 57 OK 33 90 - 36 - 235=6, 4649/2.5=6...(11) H LEU 34 - HB3 PHE 57 OK 30 99 - 31 - 2699/3.0=7, 4649/2.5=6...(5) H ASN 18 - HE3 LYS 56 OK 25 78 - 32 - 3994/3.6=4, 3992/4.8=4...(11) H GLY 54 - HE3 LYS 56 OK 24 75 - 32 - 235=4, 3994/3.6=4...(12) H ASN 18 - HE2 LYS 56 OK 23 74 - 31 - 3994/3.6=4, 3992/4.8=4...(11) H GLY 54 - HE2 LYS 56 OK 21 71 - 30 - 235/1.8=4, 3994/3.6=4...(11) H ASN 18 - HB3 PHE 57 OK 21 93 - 22 - 4649/2.5=5, 2699/3.0=4...(5) Peak 2712 from cnoeabs.peaks (4.65, 2.80, 41.58 ppm; 4.08 A): 6 out of 18 assignments used, quality = 1.00: * HA PHE 57 + HB3 PHE 57 OK 100 100 - 100 - 3.0=100 HA PHE 57 + HE3 LYS 56 OK 73 89 - 82 - 2702=13, 2702/1.8=10...(34) HA LYS 56 + HE3 LYS 56 OK 71 84 - 84 - 6.0=31, 2613/3.6=15...(36) HA PHE 57 + HE2 LYS 56 OK 69 84 - 82 - 2702=13, 2702/1.8=10...(34) HA LYS 56 + HE2 LYS 56 OK 68 80 - 84 - 6.0=31, 2613/3.6=15...(36) HA LYS 56 + HB3 PHE 57 OK 68 98 - 69 - 3991/4.0=15, 4565/2.5=13...(23) HA ASN 90 - HE3 LYS 56 OK 26 73 - 35 - 3681/1.8=5, 2640/3.6=4...(14) HA ASN 90 - HE2 LYS 56 OK 24 69 - 35 - 3681/1.8=5, 2640/3.6=4...(14) HA ASN 90 - HB3 PHE 57 OK 19 89 - 22 - 2706/1.8=3, 4565/2.5=3...(8) HA GLU 33 - HB3 PHE 57 OK 17 83 - 20 - 3911/4.0=5, 2706/1.8=3...(8) HA GLU 33 - HE3 LYS 56 OK 11 68 - 17 - 3.6/2711=2, 2640/3.6=2...(7) HA GLU 33 - HE2 LYS 56 OK 10 63 - 16 - 3.6/2711=2, 2640/3.6=2...(7) HA ASN 24 - HB3 PHE 57 lone 3 71 - 4 - HA HIS 42 - HB3 PHE 57 lone 2 83 - 3 - HA ASN 24 - HE3 LYS 56 lone 1 57 - 3 - HA ASN 24 - HE2 LYS 56 lone 1 53 - 2 - HA HIS 42 - HE3 LYS 56 lone 1 68 - 2 - HA HIS 42 - HE2 LYS 56 lone 1 63 - 2 - Peak 2713 from cnoeabs.peaks (3.17, 2.80, 41.58 ppm; 3.30 A): 3 out of 15 assignments used, quality = 1.00: * HB2 PHE 57 + HB3 PHE 57 OK 100 100 - 100 - 1.8=100 HB2 PHE 57 + HE3 LYS 56 OK 53 89 - 60 - 2708=12, 2708/1.8=8...(24) HB2 PHE 57 + HE2 LYS 56 OK 50 84 - 59 - 2708=12, 2708/1.8=9...(24) HB2 PHE 80 - HB3 PHE 57 OK 29 95 - 31 - 4566/2.5=5, 3430/4.4=4...(10) HD2 ARG 27 - HB3 PHE 57 OK 24 85 - 28 - 4566/2.5=4, 2701/3.0=3...(12) HD3 PRO 81 - HB3 PHE 57 OK 24 98 - 25 - 4566/2.5=4, 2701/3.0=3...(10) HD2 ARG 28 - HB3 PHE 57 OK 13 100 - 13 - 4566/2.5=2, ~1868=1, 2701/3.0=1 HD2 ARG 27 - HE3 LYS 56 OK 12 70 - 17 - 1802/3.0=2, 1803/3.0=1, ~1810=1 HD2 ARG 27 - HE2 LYS 56 OK 11 65 - 17 - 1802/3.0=2, 1803/3.0=1, ~1810=1 HD3 PRO 81 - HE3 LYS 56 lone 4 84 - 5 - HD3 PRO 81 - HE2 LYS 56 lone 4 80 - 5 - HB2 PHE 80 - HE3 LYS 56 lone 3 80 - 4 - HB2 PHE 80 - HE2 LYS 56 lone 3 75 - 4 - HD2 ARG 28 - HE3 LYS 56 lone 2 88 - 3 - HD2 ARG 28 - HE2 LYS 56 lone 2 84 - 3 - Peak 2714 from cnoeabs.peaks (2.80, 2.80, 41.58 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 PHE 57 + HB3 PHE 57 OK 100 100 - 100 HE3 LYS 56 + HE3 LYS 56 OK 85 85 - 100 HE2 LYS 56 + HE2 LYS 56 OK 77 77 - 100 Peak 2716 from cnoeabs.peaks (7.16, 2.80, 41.58 ppm; 3.74 A): 3 out of 6 assignments used, quality = 1.00: * QD PHE 57 + HB3 PHE 57 OK 100 100 - 100 - 2.5=100 QD PHE 57 + HE3 LYS 56 OK 57 89 - 64 - 4567=12, 4567/1.8=9...(23) QD PHE 57 + HE2 LYS 56 OK 54 84 - 64 - 4567=12, 4567/1.8=10...(22) HD2 HIS 15 - HB3 PHE 57 OK 19 98 - 18 - 2710/1.8=5, 2704/3.0=4...(5) HD2 HIS 15 - HE3 LYS 56 lone 4 84 - 4 - HD2 HIS 15 - HE2 LYS 56 lone 4 80 - 4 - Peak 2718 from cnoeabs.peaks (4.65, 7.21, 131.31 ppm; 6.20 A): 2 out of 6 assignments used, quality = 1.00: * HA PHE 57 + QE PHE 57 OK 99 99 - 100 - 5.6=100 HA LYS 56 + QE PHE 57 OK 72 97 - 75 - 6054/4652=21...(12) HA ASN 90 - QE PHE 57 OK 18 87 - 21 - 2724/2.2=4, 2706/4.4=3...(8) HA GLU 33 - QE PHE 57 OK 15 81 - 19 - 3911/6.4=5, 2724/2.2=4...(4) HA HIS 42 - QE PHE 57 lone 5 81 - 6 - HA ASN 24 - QE PHE 57 lone 4 69 - 6 - Peak 2719 from cnoeabs.peaks (3.17, 7.21, 131.31 ppm; 6.20 A): 4 out of 5 assignments used, quality = 1.00: * HB2 PHE 57 + QE PHE 57 OK 99 99 - 100 - 4.4=100 HB2 PHE 80 + QE PHE 57 OK 80 93 - 87 - ~4589=17, 5.8/5983=14...(26) HD3 PRO 81 + QE PHE 57 OK 70 97 - 73 - 4.8/3430=12, 4.8/3436=12...(21) HD2 ARG 27 + QE PHE 57 OK 62 83 - 74 - ~4542=15, ~5996=14...(22) HD2 ARG 28 - QE PHE 57 OK 25 99 - 25 - 2725/2.2=4, ~4567=3...(8) Peak 2720 from cnoeabs.peaks (2.80, 7.21, 131.31 ppm; 6.20 A): 3 out of 5 assignments used, quality = 1.00: * HB3 PHE 57 + QE PHE 57 OK 99 99 - 100 - 4.4=100 HE3 LYS 56 + QE PHE 57 OK 66 97 - 68 - 2726/2.2=13, 2708/4.4=11...(14) HE2 LYS 56 + QE PHE 57 OK 63 94 - 67 - 2726/2.2=13, ~4567=12...(13) HB3 ASP 53 - QE PHE 57 OK 25 79 - 32 - 5144/5184=5, 3.0/4656=5...(10) HB2 ASN 90 - QE PHE 57 OK 12 61 - 19 - 3.0/2718=3, ~2724=3...(7) Peak 2721 from cnoeabs.peaks (7.21, 7.21, 131.31 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QE PHE 57 + QE PHE 57 OK 99 99 - 100 Peak 2722 from cnoeabs.peaks (7.16, 7.21, 131.31 ppm; 3.71 A): 1 out of 2 assignments used, quality = 0.99: * QD PHE 57 + QE PHE 57 OK 99 99 - 100 - 2.2=100 HD2 HIS 15 - QE PHE 57 OK 11 97 - 11 - 2710/4.4=3, 4574/2.2=2...(5) Peak 2723 from cnoeabs.peaks (8.80, 7.16, 132.69 ppm; 5.58 A): 3 out of 4 assignments used, quality = 0.96: * H PHE 57 + QD PHE 57 OK 90 90 - 100 - 4.4=100 H LEU 34 + QD PHE 57 OK 35 88 - 39 - 2699/3.7=9, 2705/2.5=7...(13) H GLY 54 + QD PHE 57 OK 31 76 - 41 - 235/2.5=8, 2705/2.5=7...(13) H ASN 18 - QD PHE 57 OK 27 80 - 33 - 2705/2.5=5, 2699/3.7=5...(10) Peak 2724 from cnoeabs.peaks (4.65, 7.16, 132.69 ppm; 5.12 A): 2 out of 6 assignments used, quality = 0.98: * HA PHE 57 + QD PHE 57 OK 90 90 - 100 - 3.7=100 HA LYS 56 + QD PHE 57 OK 76 86 - 89 - 3.6/773=34, 2706/2.5=15...(31) HA ASN 90 - QD PHE 57 OK 18 75 - 24 - 2706/2.5=4, 3681/2.5=3...(9) HA GLU 33 - QD PHE 57 OK 17 69 - 24 - 3911/4.4=6, 3.6/4649=5...(7) HA ASN 24 - QD PHE 57 lone 3 58 - 5 - HA HIS 42 - QD PHE 57 lone 3 69 - 4 - Peak 2725 from cnoeabs.peaks (3.17, 7.16, 132.69 ppm; 4.52 A): 3 out of 5 assignments used, quality = 0.97: * HB2 PHE 57 + QD PHE 57 OK 90 90 - 100 - 2.5=100 HB2 PHE 80 + QD PHE 57 OK 49 81 - 60 - 3430/2.2=12, 2.5/2727=11...(19) HD3 PRO 81 + QD PHE 57 OK 42 86 - 49 - 5907/2.2=8, ~5910=6...(18) HD2 ARG 27 - QD PHE 57 OK 39 71 - 55 - 4654/2.2=6, ~4662=4...(26) HD2 ARG 28 - QD PHE 57 OK 21 89 - 23 - 2701/3.7=2, ~1868=2...(13) Peak 2726 from cnoeabs.peaks (2.80, 7.16, 132.69 ppm; 4.75 A): 3 out of 5 assignments used, quality = 0.99: * HB3 PHE 57 + QD PHE 57 OK 90 90 - 100 - 2.5=100 HE3 LYS 56 + QD PHE 57 OK 68 87 - 78 - 2716=12, 2708/2.5=12...(31) HE2 LYS 56 + QD PHE 57 OK 64 82 - 78 - 1.8/2716=12, 2716=11...(31) HB3 ASP 53 - QD PHE 57 OK 20 67 - 29 - 3983/4.4=4, 4.6/4649=4...(13) HB2 ASN 90 - QD PHE 57 poor 10 51 - 19 - 3.0/2724=3, 3686/3.7=2...(9) Peak 2727 from cnoeabs.peaks (7.21, 7.16, 132.69 ppm; 2.98 A): 2 out of 3 assignments used, quality = 0.92: * QE PHE 57 + QD PHE 57 OK 89 89 - 100 - 2.2=100 QD PHE 80 + QD PHE 57 OK 30 80 - 37 - 4589/3.8=5, 3.8/4574=5...(13) H LYS 78 - QD PHE 57 poor 9 73 - 13 - ~3287=3, ~4656=3, 4575/3.8=2 Peak 2728 from cnoeabs.peaks (7.16, 7.16, 132.69 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: * QD PHE 57 + QD PHE 57 OK 90 90 - 100 Peak 2729 from cnoeabs.peaks (8.64, 5.81, 53.90 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 58 + HA GLN 58 OK 100 100 - 100 - 3.0=100 H VAL 47 + HA GLN 58 OK 58 89 - 65 - 4.7/4899=16, 3.9/5975=12...(14) Peak 2730 from cnoeabs.peaks (5.81, 5.81, 53.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 58 + HA GLN 58 OK 100 100 - 100 Peak 2731 from cnoeabs.peaks (1.96, 5.81, 53.90 ppm; 3.61 A): 2 out of 13 assignments used, quality = 1.00: * HB2 GLN 58 + HA GLN 58 OK 100 100 - 100 - 2.9=100 HB3 PRO 81 + HA GLN 58 OK 71 98 - 72 - 2738=15, 1.8/2734=10...(37) HG3 PRO 84 - HA GLN 58 OK 30 96 - 31 - 2.3/2734=5, 2747/2.9=3...(15) HG2 PRO 19 - HA GLN 58 OK 24 100 - 24 - 3.8/5272=3, 1.8/2732=3...(7) HB2 GLU 33 - HA GLN 58 OK 21 87 - 24 - 4.1/5290=4, 4653/4728=3...(8) HB2 PRO 19 - HA GLN 58 OK 20 85 - 24 - 2.3/5272=3, 2.3/2732=2...(7) HB3 PRO 19 - HA GLN 58 OK 17 76 - 22 - 2.3/5272=3, 2.3/2732=2...(6) HB VAL 20 - HA GLN 58 OK 16 76 - 20 - ~5288=4, 2738=3...(5) HB2 LEU 76 - HA GLN 58 OK 12 92 - 13 - ~5267=2, ~5288=1 HB3 GLU 22 - HA GLN 58 lone 9 87 - 10 - HB2 GLU 51 - HA GLN 58 lone 6 99 - 6 - HB2 GLU 77 - HA GLN 58 lone 4 100 - 4 - HE3 LYS 68 - HA GLN 58 lone 4 68 - 6 - 3.7/5270=2 Peak 2732 from cnoeabs.peaks (1.89, 5.81, 53.90 ppm; 3.46 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLN 58 + HA GLN 58 OK 100 100 - 100 - 2.9=100 HB ILE 35 + HA GLN 58 OK 46 87 - 53 - 3.2/4728=12, 2.1/5270=6...(20) HG3 PRO 81 - HA GLN 58 OK 34 60 - 57 - 2.3/2738=10, 2.3/2734=8...(32) HB3 MET 11 - HA GLN 58 OK 16 100 - 16 - 3.0/2734=2, 2764/4.0=2...(6) HB2 MET 11 - HA GLN 58 OK 16 100 - 16 - 3.0/2734=2, 2764/4.0=2...(6) HG3 PRO 19 - HA GLN 58 OK 16 73 - 21 - 1.8/2731=2, 3.8/5272=2...(8) HB3 LYS 78 - HA GLN 58 lone 7 81 - 9 - 4.4/2735=1, 4089/5.6=1 Peak 2733 from cnoeabs.peaks (2.39, 5.81, 53.90 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.99: * HG2 GLN 58 + HA GLN 58 OK 99 100 - 99 - 4.0=85, 1.8/2762=40...(29) Peak 2734 from cnoeabs.peaks (2.27, 5.81, 53.90 ppm; 3.68 A): 2 out of 4 assignments used, quality = 0.99: * HG3 GLN 58 + HA GLN 58 OK 97 100 - 97 - 4.0=75, 1.8/2754=36...(25) HB2 PRO 81 + HA GLN 58 OK 56 85 - 66 - 1.8/2738=13, 2750/2.9=9...(32) HB2 PRO 84 - HA GLN 58 OK 32 83 - 38 - 2750/2.9=5, 2758/4.0=4...(18) HG3 MET 11 - HA GLN 58 OK 14 71 - 19 - 3.0/2732=2, 3.0/2732=2...(6) Peak 2735 from cnoeabs.peaks (8.21, 5.81, 53.90 ppm; 6.03 A): 2 out of 5 assignments used, quality = 1.00: * HE21 GLN 58 + HA GLN 58 OK 100 100 - 100 - 5.6=100 H LYS 56 + HA GLN 58 OK 70 97 - 73 - 4.6/5245=28, 3.0/5275=14...(17) H LEU 79 - HA GLN 58 OK 29 83 - 34 - 2751/2.9=5, 2759/4.0=4...(14) H GLU 22 - HA GLN 58 OK 21 87 - 24 - 2751/2.9=3, 2767/4.0=3...(9) H LEU 87 - HA GLN 58 OK 12 78 - 15 - 2751/2.9=2, 2759/4.0=2...(4) Peak 2737 from cnoeabs.peaks (8.64, 1.96, 31.62 ppm; 3.87 A): 2 out of 6 assignments used, quality = 0.99: * H GLN 58 + HB2 GLN 58 OK 97 100 - 97 - 4.0=88, 2745/1.8=25...(12) H GLN 58 + HB3 PRO 81 OK 49 92 - 53 - 3.0/2738=11, 776=8...(15) H VAL 47 - HB2 GLN 58 OK 43 89 - 48 - 2745/1.8=12, 2729/2.9=11...(7) H VAL 47 - HB3 PRO 81 OK 24 77 - 30 - ~5914=5, ~5908=4...(13) H GLN 58 - HB VAL 20 poor 7 66 - 11 - 3.0/2738=2, 4.0/2747=2...(4) H VAL 47 - HB VAL 20 lone 3 53 - 5 - Peak 2738 from cnoeabs.peaks (5.81, 1.96, 31.62 ppm; 3.93 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 58 + HB2 GLN 58 OK 100 100 - 100 - 2.9=100 HA GLN 58 + HB3 PRO 81 OK 71 92 - 77 - 2734/1.8=11, 2731=11...(37) HA GLN 58 - HB VAL 20 OK 15 66 - 23 - ~5288=5, 2731=2...(10) Peak 2739 from cnoeabs.peaks (1.96, 1.96, 31.62 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 58 + HB2 GLN 58 OK 100 100 - 100 HB3 PRO 81 + HB3 PRO 81 OK 88 88 - 100 HB VAL 20 - HB VAL 20 OK 43 43 - 100 Peak 2740 from cnoeabs.peaks (1.89, 1.96, 31.62 ppm; 2.47 A): 2 out of 21 assignments used, quality = 1.00: * HB3 GLN 58 + HB2 GLN 58 OK 100 100 - 100 - 1.8=100 HG3 PRO 81 + HB3 PRO 81 OK 50 50 - 100 - 2.3=100 HB3 GLN 58 - HB3 PRO 81 OK 44 92 - 48 - 2747=9, 2750/1.8=5...(25) HB ILE 35 - HB2 GLN 58 OK 36 87 - 42 - 2756/2.9=4, 2764/2.9=3...(25) HG3 PRO 81 - HB2 GLN 58 OK 24 60 - 40 - 2.3/3478=3, 1.8/3486=3...(22) HB3 MET 11 - HB3 PRO 81 OK 21 92 - 23 - 1135/1.8=2, ~1128=2...(6) HB2 MET 11 - HB3 PRO 81 OK 21 92 - 23 - 1128/1.8=2, ~1128=2...(6) HB3 LYS 78 - HB3 PRO 81 OK 14 69 - 21 - 3313/2.3=3, ~3303=2...(4) HG3 PRO 19 - HB3 PRO 81 OK 12 63 - 20 - 1482=2, ~1476=1, ~5916=1 HB2 MET 11 - HB2 GLN 58 OK 11 100 - 10 - 2764/2.9=1, 2756/2.9=1 HB3 MET 11 - HB2 GLN 58 OK 11 100 - 10 - 2764/2.9=1, 2756/2.9=1 HB3 GLN 58 - HB VAL 20 OK 11 66 - 16 - 5288/2.1=4, 5288/2.1=4, 2747=2 HG3 PRO 19 - HB2 GLN 58 poor 8 73 - 10 - HG3 PRO 81 - HB VAL 20 poor 5 33 - 16 - ~1502=3, ~1497=3...(8) HG3 PRO 19 - HB VAL 20 lone 4 41 - 10 - 56/4.0=2 HB3 LYS 78 - HB2 GLN 58 lone 4 81 - 5 - HB ILE 35 - HB3 PRO 81 lone 3 75 - 4 - HB3 LYS 78 - HB VAL 20 lone 2 46 - 3 - HB ILE 35 - HB VAL 20 lone 1 51 - 1 - HB3 MET 11 - HB VAL 20 lone 0 66 - 0 - HB2 MET 11 - HB VAL 20 lone 0 66 - 0 - Peak 2741 from cnoeabs.peaks (2.39, 1.96, 31.62 ppm; 3.85 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 58 + HB2 GLN 58 OK 100 100 - 100 - 2.9=100 HG2 GLN 58 + HB3 PRO 81 OK 78 92 - 85 - 2758/1.8=12, 2755=11...(48) HG2 GLN 58 - HB VAL 20 OK 16 66 - 24 - ~5288=5, 2.9/2747=2...(10) Peak 2742 from cnoeabs.peaks (2.27, 1.96, 31.62 ppm; 2.73 A): 4 out of 12 assignments used, quality = 0.99: * HG3 GLN 58 + HB2 GLN 58 OK 91 100 - 91 - 2.9=81, 2762/2.9=16...(14) HB2 PRO 81 + HB3 PRO 81 OK 74 74 - 100 - 1.8=100 HG3 GLN 58 + HB3 PRO 81 OK 51 92 - 55 - 1.8/2741=7, 2763=5...(26) HB2 PRO 81 + HB2 GLN 58 OK 48 85 - 56 - 2750/1.8=6, 2758/2.9=5...(28) HB2 PRO 84 - HB3 PRO 81 OK 35 71 - 49 - 1.8/3554=4, 1149/1.8=4...(27) HB2 PRO 84 - HB2 GLN 58 OK 24 83 - 29 - 2750/1.8=3, 2758/2.9=3...(14) HG3 MET 11 - HB3 PRO 81 OK 18 60 - 30 - 1149/1.8=3, ~3464=2...(18) HB2 PRO 81 - HB VAL 20 OK 12 50 - 23 - 3475/3.0=3, ~3489=2...(11) HG3 MET 11 - HB2 GLN 58 poor 9 71 - 12 - 2750/1.8=1, 2758/2.9=1 HG3 GLN 58 - HB VAL 20 poor 8 66 - 12 - ~5288=2, 1.8/2741=1...(4) HB2 PRO 84 - HB VAL 20 lone 3 48 - 6 - HG3 MET 11 - HB VAL 20 lone 0 39 - 1 - Peak 2743 from cnoeabs.peaks (8.21, 1.96, 31.62 ppm; 5.17 A): 3 out of 15 assignments used, quality = 1.00: * HE21 GLN 58 + HB2 GLN 58 OK 100 100 - 100 - 4.6=100 HE21 GLN 58 + HB3 PRO 81 OK 78 92 - 85 - 3.5/2741=17, 503/1.8=13...(24) H LYS 56 + HB2 GLN 58 OK 49 97 - 51 - 2759/2.9=10, ~5286=9...(10) H LEU 79 - HB3 PRO 81 OK 45 71 - 63 - 5836/3.0=10, 5912/3.0=9...(16) H GLU 22 - HB VAL 20 OK 36 51 - 70 - 959/4.4=18, 1019/4.0=15...(16) H GLU 22 - HB3 PRO 81 OK 24 75 - 32 - 1022/3.0=6, 4446/2.3=6...(10) H LEU 79 - HB2 GLN 58 OK 22 83 - 26 - 2759/2.9=4, 2751/1.8=4...(7) HE21 GLN 58 - HB VAL 20 OK 21 66 - 32 - 4416/2.1=5, 1019/4.0=5...(10) H LYS 56 - HB3 PRO 81 OK 21 86 - 24 - 5912/3.0=4, 240/2.3=4...(6) H GLU 22 - HB2 GLN 58 OK 18 87 - 21 - 2767/2.9=3, 2759/2.9=3...(4) H LYS 56 - HB VAL 20 OK 14 60 - 23 - 4416/2.1=5, 959/4.4=4...(5) H LEU 79 - HB VAL 20 OK 11 48 - 23 - 895/2.1=5, ~3382=5...(5) H LEU 87 - HB2 GLN 58 lone 7 78 - 9 - 2759/2.9=2, 2767/2.9=1...(4) H LEU 87 - HB3 PRO 81 lone 6 67 - 8 - 5912/3.0=2, 5905/3.0=1 H LEU 87 - HB VAL 20 lone 2 45 - 4 - Peak 2745 from cnoeabs.peaks (8.64, 1.89, 31.62 ppm; 3.89 A): 2 out of 2 assignments used, quality = 0.99: * H GLN 58 + HB3 GLN 58 OK 97 100 - 97 - 4.0=88, 778/2.9=22...(12) H VAL 47 + HB3 GLN 58 OK 47 89 - 53 - 2729/2.9=11, 2753/2.9=10...(10) Peak 2746 from cnoeabs.peaks (5.81, 1.89, 31.62 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 58 + HB3 GLN 58 OK 100 100 - 100 - 2.9=100 Peak 2747 from cnoeabs.peaks (1.96, 1.89, 31.62 ppm; 2.58 A): 2 out of 13 assignments used, quality = 1.00: * HB2 GLN 58 + HB3 GLN 58 OK 100 100 - 100 - 1.8=100 HB3 PRO 81 + HB3 GLN 58 OK 51 98 - 52 - 2740=6, 1.8/2750=5...(29) HG3 PRO 84 - HB3 GLN 58 OK 19 96 - 20 - 2.3/2750=3, 3565/2.9=2...(6) HG2 PRO 19 - HB3 GLN 58 OK 14 100 - 14 - 1476=1, 2763/2.9=1, 2755/2.9=1 HB VAL 20 - HB3 GLN 58 OK 13 76 - 17 - 2.1/5288=4, 2.1/5288=4...(4) HB2 PRO 19 - HB3 GLN 58 OK 12 85 - 14 - HB3 PRO 19 - HB3 GLN 58 OK 11 76 - 14 - HB2 GLU 33 - HB3 GLN 58 lone 7 87 - 8 - HB2 LEU 76 - HB3 GLN 58 lone 6 92 - 6 - 3.1/5288=2 HB3 GLU 22 - HB3 GLN 58 lone 4 87 - 5 - HB2 GLU 51 - HB3 GLN 58 lone 3 99 - 3 - HB2 GLU 77 - HB3 GLN 58 lone 2 100 - 2 - HE3 LYS 68 - HB3 GLN 58 lone 2 68 - 3 - Peak 2748 from cnoeabs.peaks (1.89, 1.89, 31.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 58 + HB3 GLN 58 OK 100 100 - 100 Peak 2749 from cnoeabs.peaks (2.39, 1.89, 31.62 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 58 + HB3 GLN 58 OK 100 100 - 100 - 2.9=100 Peak 2750 from cnoeabs.peaks (2.27, 1.89, 31.62 ppm; 3.60 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 58 + HB3 GLN 58 OK 100 100 - 100 - 2.9=100 HB2 PRO 81 + HB3 GLN 58 OK 67 85 - 79 - 1.8/2747=10, 2758/2.9=9...(41) HB2 PRO 84 - HB3 GLN 58 OK 37 83 - 45 - 2758/2.9=5, 2734/2.9=4...(23) HG3 MET 11 - HB3 GLN 58 OK 14 71 - 20 - 2734/2.9=2, 2758/2.9=2...(9) Peak 2751 from cnoeabs.peaks (8.21, 1.89, 31.62 ppm; 6.20 A): 2 out of 5 assignments used, quality = 1.00: * HE21 GLN 58 + HB3 GLN 58 OK 100 100 - 100 - 4.6=100 H LYS 56 + HB3 GLN 58 OK 53 97 - 55 - ~5286=13, 2735/2.9=12...(9) H LEU 79 - HB3 GLN 58 OK 30 83 - 36 - 4.8/5288=6, 2735/2.9=5...(10) H GLU 22 - HB3 GLN 58 OK 19 87 - 21 - 2735/2.9=4, 2767/2.9=3...(7) H LEU 87 - HB3 GLN 58 poor 9 78 - 12 - 2735/2.9=2, 2759/2.9=2 Peak 2753 from cnoeabs.peaks (8.64, 2.39, 33.72 ppm; 4.06 A): 2 out of 2 assignments used, quality = 0.98: * H GLN 58 + HG2 GLN 58 OK 95 100 - 95 - 4.9=57, 3.0/2754=33...(15) H VAL 47 + HG2 GLN 58 OK 56 89 - 63 - 3.9/6193=15, 2761/1.8=12...(11) Peak 2754 from cnoeabs.peaks (5.81, 2.39, 33.72 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.98: * HA GLN 58 + HG2 GLN 58 OK 98 100 - 98 - 4.0=79, 2762/1.8=39...(29) Peak 2755 from cnoeabs.peaks (1.96, 2.39, 33.72 ppm; 3.41 A): 2 out of 13 assignments used, quality = 1.00: * HB2 GLN 58 + HG2 GLN 58 OK 100 100 - 100 - 2.9=100 HB3 PRO 81 + HG2 GLN 58 OK 76 98 - 78 - 2741=14, 1.8/2758=11...(45) HG3 PRO 84 - HG2 GLN 58 OK 38 96 - 39 - 2.3/2758=5, 3565/1.8=4...(15) HG2 PRO 19 - HG2 GLN 58 OK 24 100 - 24 - 2763/1.8=3, 1.8/2756=2...(8) HB2 PRO 19 - HG2 GLN 58 OK 20 85 - 24 - 2763/1.8=2, 2.3/2756=2...(9) HB2 GLU 33 - HG2 GLN 58 OK 19 87 - 22 - 4653/4742=4, 4.1/5292=3...(7) HB3 PRO 19 - HG2 GLN 58 OK 18 76 - 23 - 2763/1.8=2, 2.3/2756=2...(7) HB VAL 20 - HG2 GLN 58 OK 15 76 - 19 - ~5288=3, 2741=3...(6) HB3 GLU 22 - HG2 GLN 58 OK 12 87 - 13 - ~6044=2, 1560/3.5=2...(5) HB2 LEU 76 - HG2 GLN 58 lone 9 92 - 9 - ~5288=1 HB2 GLU 51 - HG2 GLN 58 lone 6 99 - 6 - HE3 LYS 68 - HG2 GLN 58 lone 6 68 - 9 - 3.7/5279=2, 3.7/5277=2 HB2 GLU 77 - HG2 GLN 58 lone 3 100 - 3 - Peak 2756 from cnoeabs.peaks (1.89, 2.39, 33.72 ppm; 3.39 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLN 58 + HG2 GLN 58 OK 100 100 - 100 - 2.9=100 HB ILE 35 + HG2 GLN 58 OK 76 87 - 88 - 3.2/4742=18, 3.0/5278=11...(39) HG3 PRO 81 - HG2 GLN 58 OK 41 60 - 69 - 2.3/2741=11, 2.3/2758=10...(39) HB3 MET 11 - HG2 GLN 58 OK 23 100 - 22 - 2764/1.8=3, ~2764=2...(9) HB2 MET 11 - HG2 GLN 58 OK 23 100 - 22 - 2764/1.8=3, ~2764=2...(9) HG3 PRO 19 - HG2 GLN 58 OK 17 73 - 23 - 1.8/2755=2, 2764/1.8=2...(9) HB3 LYS 78 - HG2 GLN 58 OK 12 81 - 15 - 4089/3.5=2, 4.4/2759=1...(5) Peak 2757 from cnoeabs.peaks (2.39, 2.39, 33.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 58 + HG2 GLN 58 OK 100 100 - 100 Peak 2758 from cnoeabs.peaks (2.27, 2.39, 33.72 ppm; 2.56 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 58 + HG2 GLN 58 OK 100 100 - 100 - 1.8=100 HB2 PRO 81 - HG2 GLN 58 OK 40 85 - 48 - 1.8/2741=6, 2750/2.9=4...(20) HB2 PRO 84 - HG2 GLN 58 OK 23 83 - 28 - 2750/2.9=2, ~3551=2...(15) HG3 MET 11 - HG2 GLN 58 poor 8 71 - 11 - 3.0/2756=1, 3.0/2756=1 Peak 2759 from cnoeabs.peaks (8.21, 2.39, 33.72 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: * HE21 GLN 58 + HG2 GLN 58 OK 100 100 - 100 - 3.5=100 H LYS 56 - HG2 GLN 58 OK 35 97 - 36 - 3.0/5286=7, 2767/1.8=7...(15) H LEU 79 - HG2 GLN 58 OK 15 83 - 18 - 2767/1.8=3, 512/3.5=1...(6) H GLU 22 - HG2 GLN 58 poor 9 87 - 11 - 2767/1.8=2 H LEU 87 - HG2 GLN 58 lone 5 78 - 7 - 2767/1.8=1 Peak 2760 from cnoeabs.peaks (6.56, 2.39, 33.72 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 58 + HG2 GLN 58 OK 100 100 - 100 - 3.5=100 Peak 2761 from cnoeabs.peaks (8.64, 2.27, 33.72 ppm; 4.29 A): 2 out of 2 assignments used, quality = 0.99: * H GLN 58 + HG3 GLN 58 OK 97 100 - 97 - 4.9=67, 3.0/2762=37...(12) H VAL 47 + HG3 GLN 58 OK 52 89 - 59 - 2753/1.8=15, 2745/2.9=11...(11) Peak 2762 from cnoeabs.peaks (5.81, 2.27, 33.72 ppm; 3.60 A): 1 out of 1 assignment used, quality = 0.96: * HA GLN 58 + HG3 GLN 58 OK 96 100 - 96 - 4.0=70, 2754/1.8=35...(25) Peak 2763 from cnoeabs.peaks (1.96, 2.27, 33.72 ppm; 3.43 A): 2 out of 13 assignments used, quality = 1.00: * HB2 GLN 58 + HG3 GLN 58 OK 100 100 - 100 - 2.9=100 HB3 PRO 81 + HG3 GLN 58 OK 76 98 - 78 - 2741/1.8=12, 2.3/3464=7...(44) HG3 PRO 84 - HG3 GLN 58 OK 43 96 - 45 - 3565=5, 1.8/3558=5...(17) HG2 PRO 19 - HG3 GLN 58 OK 25 100 - 25 - 2755/1.8=2, 1.8/2764=2...(8) HB2 PRO 19 - HG3 GLN 58 OK 22 85 - 25 - 2755/1.8=2, 2.3/2764=2...(9) HB3 PRO 19 - HG3 GLN 58 OK 19 76 - 24 - 2755/1.8=2, 2.3/2764=2...(7) HB2 GLU 33 - HG3 GLN 58 OK 16 87 - 18 - 1.8/6044=3, 4653/5285=3...(6) HB VAL 20 - HG3 GLN 58 OK 15 76 - 19 - ~5288=3, 2741/1.8=2...(6) HB3 GLU 22 - HG3 GLN 58 OK 13 87 - 14 - 1.8/6044=3, 1560/3.5=2...(5) HB2 LEU 76 - HG3 GLN 58 poor 9 92 - 10 - 3.0/6044=1, ~5288=1 HB2 GLU 51 - HG3 GLN 58 lone 7 99 - 7 - HE3 LYS 68 - HG3 GLN 58 lone 6 68 - 8 - 3.7/5284=2, 3.7/5283=2 HB2 GLU 77 - HG3 GLN 58 lone 4 100 - 4 - Peak 2764 from cnoeabs.peaks (1.89, 2.27, 33.72 ppm; 3.37 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLN 58 + HG3 GLN 58 OK 100 100 - 100 - 2.9=100 HB ILE 35 + HG3 GLN 58 OK 75 87 - 87 - 3.2/5285=14, ~4742=11...(37) HG3 PRO 81 - HG3 GLN 58 OK 43 60 - 71 - 1.8/3485=8, ~2741=7...(42) HB3 MET 11 - HG3 GLN 58 OK 24 100 - 24 - 2756/1.8=3, 1136=2...(8) HB2 MET 11 - HG3 GLN 58 OK 24 100 - 24 - 2756/1.8=3, 1129=2...(8) HG3 PRO 19 - HG3 GLN 58 OK 17 73 - 23 - 1.8/2763=2, 2756/1.8=2...(9) HB3 LYS 78 - HG3 GLN 58 OK 12 81 - 15 - 4089/3.5=2, 2756/1.8=1...(5) Peak 2765 from cnoeabs.peaks (2.39, 2.27, 33.72 ppm; 2.46 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 58 + HG3 GLN 58 OK 100 100 - 100 - 1.8=100 Peak 2766 from cnoeabs.peaks (2.27, 2.27, 33.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 58 + HG3 GLN 58 OK 100 100 - 100 Peak 2767 from cnoeabs.peaks (8.21, 2.27, 33.72 ppm; 3.54 A): 1 out of 5 assignments used, quality = 1.00: * HE21 GLN 58 + HG3 GLN 58 OK 100 100 - 100 - 3.5=100 H LYS 56 - HG3 GLN 58 OK 30 97 - 31 - 2759/1.8=7, ~5286=5...(10) H LEU 79 - HG3 GLN 58 OK 13 83 - 16 - 2759/1.8=3, 512/3.5=1...(4) H GLU 22 - HG3 GLN 58 poor 10 87 - 11 - 2759/1.8=2, 4.0/6044=2 H LEU 87 - HG3 GLN 58 lone 5 78 - 6 - 2759/1.8=1 Peak 2768 from cnoeabs.peaks (6.56, 2.27, 33.72 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 58 + HG3 GLN 58 OK 100 100 - 100 - 3.5=100 Peak 2769 from cnoeabs.peaks (8.84, 4.06, 44.69 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 59 + HA2 GLY 59 OK 100 100 - 100 - 3.0=100 Peak 2770 from cnoeabs.peaks (4.06, 4.06, 44.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 59 + HA2 GLY 59 OK 100 100 - 100 Peak 2771 from cnoeabs.peaks (4.45, 4.06, 44.69 ppm; 2.81 A): 1 out of 3 assignments used, quality = 1.00: * HA3 GLY 59 + HA2 GLY 59 OK 100 100 - 100 - 1.8=100 HA LYS 17 - HA2 GLY 59 OK 12 100 - 12 - 784/3.0=2, ~551=2, 273/3.5=2 HA GLN 55 - HA2 GLY 59 lone 2 60 - 3 - Peak 2772 from cnoeabs.peaks (8.84, 4.45, 44.69 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 59 + HA3 GLY 59 OK 100 100 - 100 - 3.0=100 Peak 2773 from cnoeabs.peaks (4.06, 4.45, 44.69 ppm; 2.83 A): 1 out of 3 assignments used, quality = 1.00: * HA2 GLY 59 + HA3 GLY 59 OK 100 100 - 100 - 1.8=100 HA3 GLY 61 - HA3 GLY 59 OK 20 90 - 22 - 4.9/5363=6, 272/3.5=5...(6) HA3 GLY 54 - HA3 GLY 59 lone 7 99 - 7 - 5153/4.8=1, 272/3.5=1, 783/3.0=1 Peak 2774 from cnoeabs.peaks (4.45, 4.45, 44.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 59 + HA3 GLY 59 OK 100 100 - 100 Peak 2775 from cnoeabs.peaks (8.31, 6.08, 49.56 ppm; 3.95 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 60 + HA ALA 60 OK 100 100 - 100 - 3.0=100 H TYR 70 - HA ALA 60 OK 21 71 - 29 - 5592/4.8=7, 2778/2.1=5...(9) H LEU 85 - HA ALA 60 lone 9 100 - 9 - 2778/2.1=3, 274/3.6=1...(5) H LYS 64 - HA ALA 60 lone 8 85 - 10 - 274/3.6=2, 803/5495=2...(4) H GLY 16 - HA ALA 60 lone 8 83 - 10 - 2778/2.1=3, 4011/4.8=2 H GLU 37 - HA ALA 60 lone 6 99 - 6 - 2778/2.1=1 Peak 2776 from cnoeabs.peaks (6.08, 6.08, 49.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 60 + HA ALA 60 OK 100 100 - 100 Peak 2777 from cnoeabs.peaks (1.31, 6.08, 49.56 ppm; 3.06 A): 1 out of 7 assignments used, quality = 1.00: * QB ALA 60 + HA ALA 60 OK 100 100 - 100 - 2.1=100 HG3 ARG 45 - HA ALA 60 OK 11 99 - 11 - ~5367=2, 787/3.0=2, ~2340=2 HB2 LYS 26 - HA ALA 60 OK 11 100 - 10 - 787/3.0=2, 276/3.6=1 HB3 LYS 68 - HA ALA 60 poor 10 89 - 11 - 2.9/6046=2, 787/3.0=1...(4) HB VAL 50 - HA ALA 60 lone 5 92 - 5 - HD3 LYS 44 - HA ALA 60 lone 4 85 - 5 - 3.0/6046=1 HG3 LYS 31 - HA ALA 60 lone 4 97 - 4 - Peak 2778 from cnoeabs.peaks (8.31, 1.31, 23.27 ppm; 3.09 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 60 + QB ALA 60 OK 100 100 - 100 - 2.9=100 H TYR 70 - QB ALA 60 OK 17 71 - 24 - 4.0/5370=4, 4.6/5347=4...(9) H GLY 16 - QB ALA 60 poor 9 83 - 11 - 4.5/5367=3, 4.5/5370=3...(4) H LEU 85 - QB ALA 60 lone 8 100 - 8 - 3.6/5364=2, 2775/2.1=1 H GLU 37 - QB ALA 60 lone 4 99 - 4 - H LYS 64 - QB ALA 60 lone 4 85 - 5 - 274/3.6=1, 2775/2.1=1 Peak 2779 from cnoeabs.peaks (6.08, 1.31, 23.27 ppm; 2.82 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 60 + QB ALA 60 OK 100 100 - 100 - 2.1=100 Peak 2780 from cnoeabs.peaks (1.31, 1.31, 23.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 60 + QB ALA 60 OK 100 100 - 100 Peak 2781 from cnoeabs.peaks (8.53, 4.49, 45.16 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 61 + HA2 GLY 61 OK 100 100 - 100 - 2.9=100 H LEU 76 - HA2 GLY 61 OK 17 97 - 17 - 4.6/5385=6, 2784/1.8=3...(4) H ASP 82 - HA2 GLY 61 OK 10 99 - 10 - 2784/1.8=2, 4013/4.9=2, ~3498=2 Peak 2782 from cnoeabs.peaks (4.49, 4.49, 45.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 61 + HA2 GLY 61 OK 100 100 - 100 Peak 2783 from cnoeabs.peaks (4.08, 4.49, 45.16 ppm; 2.91 A): 1 out of 6 assignments used, quality = 1.00: * HA3 GLY 61 + HA2 GLY 61 OK 100 100 - 100 - 1.8=100 HA3 GLY 54 - HA2 GLY 61 OK 19 97 - 20 - 2785=7, 2784/2.9=3...(7) HA2 GLY 59 - HA2 GLY 61 OK 13 90 - 14 - 4.9/5377=6, 790/2.9=4...(4) HA LYS 14 - HA2 GLY 61 poor 9 71 - 13 - 3.0/4014=4, ~4015=2...(6) HA LYS 26 - HA2 GLY 61 lone 2 63 - 4 - HA LYS 91 - HA2 GLY 61 lone 2 65 - 3 - Peak 2784 from cnoeabs.peaks (8.53, 4.08, 45.16 ppm; 4.19 A): 1 out of 6 assignments used, quality = 1.00: * H GLY 61 + HA3 GLY 61 OK 100 100 - 100 - 2.9=100 H GLY 61 - HA3 GLY 54 OK 33 97 - 33 - 790=7, 2.9/2783=6...(10) H LEU 76 - HA3 GLY 61 OK 14 97 - 14 - 2781/1.8=5, ~3215=3...(4) H ASP 82 - HA3 GLY 61 OK 10 99 - 10 - 2781/1.8=3, 4013/4.9=2, ~3498=2 H LEU 76 - HA3 GLY 54 lone 2 93 - 3 - H ASP 82 - HA3 GLY 54 lone 2 95 - 2 - Peak 2785 from cnoeabs.peaks (4.49, 4.08, 45.16 ppm; 2.89 A): 1 out of 4 assignments used, quality = 1.00: * HA2 GLY 61 + HA3 GLY 61 OK 100 100 - 100 - 1.8=100 HB THR 13 - HA3 GLY 61 OK 26 99 - 26 - 2.1/5379=6, 789/2.9=5...(8) HA2 GLY 61 - HA3 GLY 54 OK 19 97 - 20 - 2783=7, 2.9/2784=3...(7) HB THR 13 - HA3 GLY 54 lone 3 96 - 3 - Peak 2786 from cnoeabs.peaks (4.08, 4.08, 45.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 61 + HA3 GLY 61 OK 100 100 - 100 HA3 GLY 54 + HA3 GLY 54 OK 93 93 - 100 Peak 2787 from cnoeabs.peaks (8.89, 4.71, 59.42 ppm; 5.36 A): 2 out of 2 assignments used, quality = 1.00: * H SER 62 + HA SER 62 OK 100 100 - 100 - 3.0=100 H LYS 14 + HA SER 62 OK 49 96 - 52 - 280/3.6=13, 2795/3.0=11...(9) Peak 2788 from cnoeabs.peaks (4.71, 4.71, 59.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 62 + HA SER 62 OK 100 100 - 100 Peak 2789 from cnoeabs.peaks (4.12, 4.71, 59.42 ppm; 3.76 A): 1 out of 6 assignments used, quality = 1.00: * HB2 SER 62 + HA SER 62 OK 100 100 - 100 - 3.0=100 HA LYS 14 - HA SER 62 OK 25 87 - 29 - 3.0/2787=5, 3.6/543=5...(8) HA LYS 26 - HA SER 62 lone 9 92 - 10 - ~5390=2, 2797/3.0=2...(4) HB THR 83 - HA SER 62 lone 4 99 - 4 - HA LYS 91 - HA SER 62 lone 4 90 - 4 - HA MET 21 - HA SER 62 lone 3 68 - 4 - 282/3.6=1 Peak 2790 from cnoeabs.peaks (3.99, 4.71, 59.42 ppm; 4.15 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 62 + HA SER 62 OK 100 100 - 100 - 3.0=100 HA3 GLY 16 - HA SER 62 OK 12 89 - 13 - 3.0/35=5, 283/3.6=2...(5) HA PRO 19 - HA SER 62 lone 6 100 - 6 - 283/3.6=2, 794/3.0=1, 2794/3.0=1 HA ALA 71 - HA SER 62 lone 6 76 - 8 - ~5390=2, 283/3.6=2 HA GLU 25 - HA SER 62 lone 6 89 - 7 - 283/3.6=2, 2794/3.0=1 HA LEU 79 - HA SER 62 lone 4 89 - 5 - HA ALA 72 - HA SER 62 lone 2 63 - 4 - 283/3.6=1 Peak 2791 from cnoeabs.peaks (8.89, 4.12, 63.26 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * H SER 62 + HB2 SER 62 OK 100 100 - 100 - 3.9=100 H LYS 14 - HB2 SER 62 OK 40 96 - 42 - 2795/1.8=12, 280/4.3=9...(10) Peak 2792 from cnoeabs.peaks (4.71, 4.12, 63.26 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 62 + HB2 SER 62 OK 100 100 - 100 - 3.0=100 HA HIS 15 - HB2 SER 62 OK 17 97 - 17 - 2796/1.8=5, 792/3.9=3...(7) Peak 2793 from cnoeabs.peaks (4.12, 4.12, 63.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 62 + HB2 SER 62 OK 100 100 - 100 Peak 2794 from cnoeabs.peaks (3.99, 4.12, 63.26 ppm; 2.79 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 62 + HB2 SER 62 OK 100 100 - 100 - 1.8=100 HA3 GLY 16 - HB2 SER 62 lone 4 89 - 5 - 2790/3.0=1 HA GLU 25 - HB2 SER 62 lone 4 89 - 4 - HA PRO 19 - HB2 SER 62 lone 3 100 - 3 - HA ALA 71 - HB2 SER 62 lone 3 76 - 3 - 2.1/5390=1 HA LEU 79 - HB2 SER 62 lone 2 89 - 2 - HA ALA 72 - HB2 SER 62 lone 1 63 - 2 - Peak 2795 from cnoeabs.peaks (8.89, 3.99, 63.26 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: * H SER 62 + HB3 SER 62 OK 100 100 - 100 - 3.9=100 H LYS 14 - HB3 SER 62 OK 38 96 - 40 - 2791/1.8=10, 280/4.3=8...(8) Peak 2796 from cnoeabs.peaks (4.71, 3.99, 63.26 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 62 + HB3 SER 62 OK 100 100 - 100 - 3.0=100 HA HIS 15 - HB3 SER 62 OK 16 97 - 16 - 2792/1.8=5, 792/3.9=3...(8) Peak 2797 from cnoeabs.peaks (4.12, 3.99, 63.26 ppm; 2.70 A): 1 out of 6 assignments used, quality = 1.00: * HB2 SER 62 + HB3 SER 62 OK 100 100 - 100 - 1.8=100 HA LYS 14 - HB3 SER 62 OK 12 87 - 14 - 3.0/2795=3, 2789/3.0=2...(7) HA LYS 26 - HB3 SER 62 lone 5 92 - 6 - ~5390=1 HB THR 83 - HB3 SER 62 lone 2 99 - 2 - HA MET 21 - HB3 SER 62 lone 2 68 - 3 - HA LYS 91 - HB3 SER 62 lone 2 90 - 2 - Peak 2798 from cnoeabs.peaks (3.99, 3.99, 63.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 62 + HB3 SER 62 OK 100 100 - 100 Peak 2799 from cnoeabs.peaks (7.52, 4.62, 51.74 ppm; 4.65 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 63 + HA ASN 63 OK 100 100 - 100 - 2.9=100 H ALA 69 - HA ASN 63 OK 19 100 - 19 - ~3116=4, ~5393=4...(5) HE22 GLN 55 - HA ASN 63 OK 14 92 - 15 - 2805/3.0=5, 2811/3.0=4...(4) Peak 2800 from cnoeabs.peaks (4.62, 4.62, 51.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 63 + HA ASN 63 OK 100 100 - 100 Peak 2801 from cnoeabs.peaks (2.91, 4.62, 51.74 ppm; 3.85 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ASN 63 + HA ASN 63 OK 100 100 - 100 - 3.0=100 HB2 ASN 24 + HA ASN 63 OK 68 99 - 70 - 1627=12, 2813/3.0=10...(25) HB3 PHE 80 - HA ASN 63 OK 21 100 - 21 - 4.4/5406=5, 797/2.9=2...(8) HE2 LYS 14 - HA ASN 63 lone 9 100 - 9 - 797/2.9=2, ~797=1, 466/4.4=1 HE3 LYS 14 - HA ASN 63 lone 9 100 - 9 - 797/2.9=2, ~797=1, 466/4.4=1 HE3 LYS 65 - HA ASN 63 poor 7 60 - 11 - 7.4/5452=2, 1.8/2802=2...(5) HB2 ASP 53 - HA ASN 63 lone 6 89 - 7 - Peak 2802 from cnoeabs.peaks (2.86, 4.62, 51.74 ppm; 3.70 A): 2 out of 9 assignments used, quality = 1.00: * HB3 ASN 63 + HA ASN 63 OK 100 100 - 100 - 3.0=100 HB3 ASN 24 + HA ASN 63 OK 64 100 - 65 - 1.8/2801=11, 2808/3.0=9...(26) HB3 ASN 18 - HA ASN 63 OK 20 100 - 20 - 2808/3.0=2, 1633=2...(10) HB2 ASN 18 - HA ASN 63 OK 20 100 - 20 - 2808/3.0=2, 1633=2...(10) HB3 TYR 32 - HA ASN 63 OK 12 99 - 11 - 1.8/4634=2, 2.5/4603=1...(4) HE2 LYS 65 - HA ASN 63 OK 10 85 - 12 - 7.4/5452=2, 287/3.6=2...(5) HE3 LYS 65 - HA ASN 63 lone 7 76 - 9 - 7.4/5452=2, 287/3.6=1...(4) HE3 LYS 17 - HA ASN 63 lone 7 99 - 7 - HE2 LYS 17 - HA ASN 63 lone 5 90 - 6 - Peak 2804 from cnoeabs.peaks (6.76, 4.62, 51.74 ppm; 6.10 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 63 + HA ASN 63 OK 100 100 - 100 - 4.4=100 Peak 2805 from cnoeabs.peaks (7.52, 2.91, 40.65 ppm; 4.40 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 63 + HB2 ASN 63 OK 100 100 - 100 - 4.0=100 HE22 GLN 55 - HB2 ASN 63 OK 20 92 - 22 - 5206=6, 2811/1.8=5...(7) H ALA 69 - HB2 ASN 63 OK 13 100 - 13 - 2799/3.0=4, 2811/1.8=4 Peak 2806 from cnoeabs.peaks (4.62, 2.91, 40.65 ppm; 3.53 A): 2 out of 10 assignments used, quality = 1.00: * HA ASN 63 + HB2 ASN 63 OK 100 100 - 100 - 3.0=100 HA ASN 24 + HB2 ASN 63 OK 60 100 - 61 - 1622=14, 2812/1.8=10...(19) HA LEU 12 - HB2 ASN 63 OK 15 92 - 16 - 2812/1.8=3, 3.0/5411=3...(6) HA ASP 43 - HB2 ASN 63 lone 9 89 - 10 - 3945/3.5=2, 2812/1.8=2...(4) HA GLU 33 - HB2 ASN 63 lone 7 97 - 7 - 2812/1.8=1 HA ARG 27 - HB2 ASN 63 lone 6 100 - 6 - 2812/1.8=1 HA ASP 82 - HB2 ASN 63 lone 4 100 - 4 - HA THR 38 - HB2 ASN 63 lone 4 97 - 4 - HA HIS 42 - HB2 ASN 63 lone 3 97 - 3 - HA LYS 31 - HB2 ASN 63 lone 2 71 - 3 - Peak 2807 from cnoeabs.peaks (2.91, 2.91, 40.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 63 + HB2 ASN 63 OK 100 100 - 100 Peak 2808 from cnoeabs.peaks (2.86, 2.91, 40.65 ppm; 2.82 A): 2 out of 9 assignments used, quality = 1.00: * HB3 ASN 63 + HB2 ASN 63 OK 100 100 - 100 - 1.8=100 HB3 ASN 24 + HB2 ASN 63 OK 49 100 - 49 - 1634=9, ~2813=5...(22) HB3 ASN 18 - HB2 ASN 63 OK 12 100 - 12 - 1634=2, 1.8/1634=2...(5) HB2 ASN 18 - HB2 ASN 63 OK 12 100 - 12 - 1634=2, 1.8/1634=2...(5) HB3 TYR 32 - HB2 ASN 63 lone 6 99 - 6 - HE2 LYS 65 - HB2 ASN 63 lone 6 85 - 7 - HE3 LYS 65 - HB2 ASN 63 lone 4 76 - 5 - HE3 LYS 17 - HB2 ASN 63 lone 4 99 - 4 - HE2 LYS 17 - HB2 ASN 63 lone 3 90 - 3 - Peak 2809 from cnoeabs.peaks (7.58, 2.91, 40.65 ppm; 3.91 A): 1 out of 5 assignments used, quality = 1.00: * HD21 ASN 63 + HB2 ASN 63 OK 100 100 - 100 - 3.5=100 H LYS 17 - HB2 ASN 63 OK 10 93 - 11 - 2815/1.8=3, 4.6/4020=2...(4) H LYS 44 - HB2 ASN 63 lone 8 96 - 8 - 2815/1.8=2, 468/3.5=1...(4) H VAL 20 - HB2 ASN 63 lone 5 97 - 5 - 2815/1.8=2 H SER 36 - HB2 ASN 63 lone 3 78 - 4 - Peak 2810 from cnoeabs.peaks (6.76, 2.91, 40.65 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 63 + HB2 ASN 63 OK 100 100 - 100 - 3.5=100 Peak 2811 from cnoeabs.peaks (7.52, 2.86, 40.65 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 63 + HB3 ASN 63 OK 100 100 - 100 - 4.0=100 HE22 GLN 55 - HB3 ASN 63 OK 15 92 - 17 - 2805/1.8=6, 2799/3.0=3...(4) H ALA 69 - HB3 ASN 63 OK 13 100 - 13 - 2799/3.0=4, 2805/1.8=4 Peak 2812 from cnoeabs.peaks (4.62, 2.86, 40.65 ppm; 3.52 A): 2 out of 10 assignments used, quality = 1.00: * HA ASN 63 + HB3 ASN 63 OK 100 100 - 100 - 3.0=100 HA ASN 24 + HB3 ASN 63 OK 58 100 - 58 - 1622/1.8=10, 1623=9...(19) HA LEU 12 - HB3 ASN 63 OK 16 92 - 18 - 3.0/5410=3, 2806/1.8=3...(7) HA ASP 43 - HB3 ASN 63 lone 9 89 - 10 - 3945/3.5=2, 2806/1.8=2...(4) HA GLU 33 - HB3 ASN 63 lone 8 97 - 8 - 2806/1.8=1, 2.9/145=1 HA ARG 27 - HB3 ASN 63 lone 6 100 - 6 - HA THR 38 - HB3 ASN 63 lone 5 97 - 5 - HA ASP 82 - HB3 ASN 63 lone 4 100 - 4 - HA HIS 42 - HB3 ASN 63 lone 3 97 - 3 - HA LYS 31 - HB3 ASN 63 lone 3 71 - 4 - 3.6/652=1 Peak 2813 from cnoeabs.peaks (2.91, 2.86, 40.65 ppm; 2.74 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ASN 63 + HB3 ASN 63 OK 100 100 - 100 - 1.8=100 HB2 ASN 24 + HB3 ASN 63 OK 46 99 - 48 - 1629=10, 3.0/2812=4...(20) HB3 PHE 80 - HB3 ASN 63 lone 10 100 - 10 - 2801/3.0=1 HE2 LYS 14 - HB3 ASN 63 lone 4 100 - 4 - HE3 LYS 14 - HB3 ASN 63 lone 4 100 - 4 - HE3 LYS 65 - HB3 ASN 63 lone 4 60 - 6 - HB2 ASP 53 - HB3 ASN 63 lone 3 89 - 3 - Peak 2814 from cnoeabs.peaks (2.86, 2.86, 40.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 63 + HB3 ASN 63 OK 100 100 - 100 Peak 2815 from cnoeabs.peaks (7.58, 2.86, 40.65 ppm; 3.99 A): 1 out of 5 assignments used, quality = 1.00: * HD21 ASN 63 + HB3 ASN 63 OK 100 100 - 100 - 3.5=100 H LYS 17 - HB3 ASN 63 OK 12 93 - 13 - 2809/1.8=3, 4.6/4021=3...(5) H VAL 20 - HB3 ASN 63 lone 9 97 - 9 - 2809/1.8=2, 4.6/4429=1...(4) H LYS 44 - HB3 ASN 63 lone 8 96 - 8 - 2809/1.8=2, 468/3.5=1...(4) H SER 36 - HB3 ASN 63 lone 3 78 - 4 - Peak 2816 from cnoeabs.peaks (6.76, 2.86, 40.65 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 63 + HB3 ASN 63 OK 100 100 - 100 - 3.5=100 Peak 2817 from cnoeabs.peaks (8.29, 3.28, 60.43 ppm; 4.32 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 64 + HA LYS 64 OK 100 100 - 100 - 3.0=100 H VAL 66 - HA LYS 64 OK 37 60 - 62 - 4.7/4170=23, 1041=15...(13) H GLY 16 - HA LYS 64 OK 21 100 - 21 - 2827/3.0=3, 290/3.6=3...(10) H GLU 77 - HA LYS 64 OK 15 63 - 24 - 4.6/5425=5, 4.6/2823=4...(8) H ALA 60 - HA LYS 64 OK 12 85 - 14 - 2827/3.0=2, 2847/4.1=2...(8) H LEU 85 - HA LYS 64 OK 11 89 - 12 - 2827/3.0=2, 290/3.6=1...(6) H GLU 37 - HA LYS 64 poor 8 65 - 11 - 4.5/5428=4, 290/3.6=1 Peak 2818 from cnoeabs.peaks (3.28, 3.28, 60.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 64 + HA LYS 64 OK 100 100 - 100 Peak 2819 from cnoeabs.peaks (1.36, 3.28, 60.43 ppm; 3.04 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LYS 64 + HA LYS 64 OK 100 100 - 100 - 3.0=100 QB ALA 67 + HA LYS 64 OK 64 98 - 66 - 4172=33, 2.9/4170=17...(18) HG2 LYS 68 - HA LYS 64 OK 29 99 - 29 - 4.9/1051=9, 292/3.6=3...(11) HG2 LYS 44 - HA LYS 64 OK 28 99 - 29 - 2282/3.0=3, 2849/4.1=2...(13) HB3 LEU 12 - HA LYS 64 OK 25 93 - 27 - 1173/3.6=3, 4.0/4022=3...(11) HB3 LYS 56 - HA LYS 64 OK 17 90 - 19 - 2.9/5423=2, 2839/3.0=1...(8) QB ALA 69 - HA LYS 64 lone 6 76 - 8 - 828/4170=1, 292/3.6=1 HG2 LYS 91 - HA LYS 64 lone 4 97 - 4 - HG3 LYS 91 - HA LYS 64 lone 4 97 - 4 - QB ALA 86 - HA LYS 64 lone 3 81 - 4 - QB ALA 89 - HA LYS 64 lone 2 99 - 2 - Peak 2820 from cnoeabs.peaks (1.44, 3.28, 60.43 ppm; 3.34 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 64 + HA LYS 64 OK 100 100 - 100 - 3.0=100 HD2 LYS 64 + HA LYS 64 OK 73 92 - 80 - 5.0=31, 2.9/2821=23...(21) HB3 LEU 76 - HA LYS 64 OK 34 78 - 44 - 3.1/2822=7, 1.8/5425=5...(20) HB3 LEU 34 - HA LYS 64 OK 28 85 - 33 - 3.1/4675=10, 3.1/5423=4...(12) HB3 ARG 45 - HA LYS 64 OK 26 95 - 28 - 2838=5, 2841/4.1=3...(14) HG2 LYS 65 - HA LYS 64 OK 26 100 - 26 - 2937/3.6=10, 3.7/5428=5...(5) HD2 LYS 44 - HA LYS 64 OK 25 83 - 30 - 2300/3.0=3, 3.0/2819=3...(16) HG LEU 12 - HA LYS 64 OK 19 76 - 25 - 296/3.6=3, 3.0/4171=3...(13) HG3 LYS 78 - HA LYS 64 OK 12 90 - 13 - 2.9/5425=2, 815/3.6=1 HG2 ARG 27 - HA LYS 64 lone 7 76 - 9 - Peak 2821 from cnoeabs.peaks (0.58, 3.28, 60.43 ppm; 3.78 A): 1 out of 1 assignment used, quality = 0.95: * HG2 LYS 64 + HA LYS 64 OK 95 100 - 95 - 4.1=76, 1.8/2858=35...(23) Peak 2822 from cnoeabs.peaks (0.70, 3.28, 60.43 ppm; 3.49 A): 2 out of 4 assignments used, quality = 0.94: * HG3 LYS 64 + HA LYS 64 OK 88 100 - 88 - 4.1=60, 1.8/2821=32...(24) QD2 LEU 76 + HA LYS 64 OK 53 97 - 55 - 2832/3.0=7, 2852/4.1=6...(27) QG1 VAL 50 - HA LYS 64 OK 22 98 - 22 - 2832/3.0=3, 2842/3.0=3...(9) QG2 VAL 20 - HA LYS 64 OK 14 73 - 19 - 4411/1051=3, 2.1/5425=2...(9) Peak 2823 from cnoeabs.peaks (1.46, 3.28, 60.43 ppm; 3.36 A): 3 out of 8 assignments used, quality = 0.99: HB3 LYS 64 + HA LYS 64 OK 92 92 - 100 - 3.0=100 * HD2 LYS 64 + HA LYS 64 OK 81 100 - 81 - 5.0=31, 2.9/2821=23...(22) HB3 LEU 76 + HA LYS 64 OK 46 99 - 46 - 3.1/2822=7, 1.8/5425=5...(21) HB3 ARG 45 - HA LYS 64 OK 28 100 - 28 - 2838=5, 2841/4.1=3...(14) HG LEU 12 - HA LYS 64 OK 27 99 - 27 - 296/3.6=3, 2833/3.0=3...(13) HG2 LYS 65 - HA LYS 64 OK 26 97 - 27 - 2937/3.6=10, 3.7/5428=5...(6) HG3 LYS 78 - HA LYS 64 OK 14 100 - 14 - 2.9/5425=2, 296/3.6=1 HG LEU 79 - HA LYS 64 lone 6 83 - 7 - 296/3.6=2 Peak 2824 from cnoeabs.peaks (1.52, 3.28, 60.43 ppm; 4.32 A): 2 out of 15 assignments used, quality = 0.98: * HD3 LYS 64 + HA LYS 64 OK 96 100 - 96 - 5.0=66, 2.9/2821=36...(26) HG LEU 34 + HA LYS 64 OK 53 98 - 55 - 2.1/4675=22, 2.1/5423=9...(17) HB2 ARG 45 - HA LYS 64 OK 39 92 - 43 - 1.8/2838=8, 6016/3.0=6...(18) HB3 LYS 44 - HA LYS 64 OK 36 89 - 41 - 2270/3.0=4, 2272/3.0=4...(21) HD2 LYS 56 - HA LYS 64 OK 30 99 - 31 - 3.0/5423=5, 2834/3.0=3...(10) QB ALA 71 - HA LYS 64 OK 27 100 - 27 - 5632/1051=7, 5662/4.1=5...(10) HB2 LYS 56 - HA LYS 64 OK 24 76 - 32 - 2.9/5423=5, 1.8/4171=3...(15) HD3 LYS 17 - HA LYS 64 OK 18 92 - 20 - 3.0/4675=6, 2834/3.0=2...(6) HD2 LYS 17 - HA LYS 64 OK 18 92 - 20 - 3.0/4675=6, 2834/3.0=2...(6) HG3 ARG 27 - HA LYS 64 OK 15 99 - 14 - 1794/3.0=1, 4.1/5417=1 HB3 LYS 26 - HA LYS 64 OK 14 99 - 14 - 2.9/5422=2, 4516/5415=1...(4) HB2 LEU 85 - HA LYS 64 OK 11 97 - 11 - 4.3/4169=1, 4.0/2817=1 HB3 LEU 87 - HA LYS 64 lone 9 99 - 9 - 4.2/1041=3 HG2 GLU 37 - HA LYS 64 poor 8 78 - 10 - 4779/4675=2 HG LEU 30 - HA LYS 64 lone 4 90 - 4 - Peak 2825 from cnoeabs.peaks (2.74, 3.28, 60.43 ppm; 5.40 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 64 + HA LYS 64 OK 97 100 - 97 - 6.7=53, 3.8/2821=42...(29) HE3 LYS 64 + HA LYS 64 OK 97 100 - 97 - 6.7=53, 3.8/2821=42...(27) HB3 ASN 90 - HA LYS 64 lone 3 60 - 5 - Peak 2826 from cnoeabs.peaks (2.74, 3.28, 60.43 ppm; 5.40 A): 2 out of 4 assignments used, quality = 1.00: HE2 LYS 64 + HA LYS 64 OK 97 100 - 97 - 6.7=53, 3.8/2821=42...(29) * HE3 LYS 64 + HA LYS 64 OK 97 100 - 97 - 6.7=53, 3.8/2821=42...(27) HE3 LYS 44 - HA LYS 64 OK 30 60 - 51 - 2836/3.0=5, 3.5/2819=5...(20) HB3 ASN 90 - HA LYS 64 lone 4 65 - 6 - Peak 2827 from cnoeabs.peaks (8.29, 1.36, 32.26 ppm; 5.21 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 64 + HB2 LYS 64 OK 100 100 - 100 - 4.0=100 H VAL 66 - HB2 LYS 64 OK 32 60 - 54 - 1041/3.0=17, 300/4.6=13...(12) H GLY 16 - HB2 LYS 64 OK 32 100 - 32 - 3.0/4304=5, 3.0/4309=5...(8) H ALA 60 - HB2 LYS 64 OK 24 85 - 28 - 3.0/6046=3, 2847/3.0=3...(11) H GLU 77 - HB2 LYS 64 OK 21 63 - 33 - 4.6/5430=6, 4.6/2833=5...(9) H LEU 85 - HB2 LYS 64 OK 17 89 - 19 - 2847/3.0=3, 2857/3.0=2...(8) H GLU 37 - HB2 LYS 64 poor 8 65 - 11 - 2817/3.0=2, 290/4.6=2...(5) Peak 2828 from cnoeabs.peaks (3.28, 1.36, 32.26 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 64 + HB2 LYS 64 OK 100 100 - 100 - 3.0=100 Peak 2829 from cnoeabs.peaks (1.36, 1.36, 32.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 64 + HB2 LYS 64 OK 100 100 - 100 Peak 2830 from cnoeabs.peaks (1.44, 1.36, 32.26 ppm; 2.93 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 64 + HB2 LYS 64 OK 100 100 - 100 - 1.8=100 HD2 LYS 64 + HB2 LYS 64 OK 69 92 - 75 - 3.8=47, 1.8/2879=9...(24) HB3 LEU 76 - HB2 LYS 64 OK 31 78 - 40 - 3.1/2832=4, 3235/3.0=3...(24) HD2 LYS 44 - HB2 LYS 64 OK 31 83 - 37 - 2300=5, 1.8/2310=3...(17) HB3 ARG 45 - HB2 LYS 64 OK 26 95 - 28 - 2841/3.0=3, ~6016=3...(13) HB3 LEU 34 - HB2 LYS 64 OK 24 85 - 29 - ~4675=4, ~4677=2...(15) HG LEU 12 - HB2 LYS 64 OK 20 76 - 27 - 2.1/1197=3, 2.1/1190=3...(15) HG2 LYS 65 - HB2 LYS 64 OK 15 100 - 15 - 2937/4.6=5, 2820/3.0=1, ~2951=1 HG3 LYS 78 - HB2 LYS 64 OK 11 90 - 12 - 2.9/5430=1 HG2 ARG 27 - HB2 LYS 64 lone 5 76 - 7 - Peak 2831 from cnoeabs.peaks (0.58, 1.36, 32.26 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 64 + HB2 LYS 64 OK 100 100 - 100 - 3.0=100 Peak 2832 from cnoeabs.peaks (0.70, 1.36, 32.26 ppm; 4.16 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 64 + HB2 LYS 64 OK 100 100 - 100 - 3.0=100 QD2 LEU 76 + HB2 LYS 64 OK 74 97 - 76 - 2852/3.0=11, 2822/3.0=11...(28) QG1 VAL 50 - HB2 LYS 64 OK 38 98 - 38 - 2852/3.0=5, 2842/1.8=5...(12) QG2 VAL 20 - HB2 LYS 64 OK 22 73 - 29 - 2822/3.0=3, 2842/1.8=3...(13) Peak 2833 from cnoeabs.peaks (1.46, 1.36, 32.26 ppm; 2.91 A): 2 out of 8 assignments used, quality = 0.98: HB3 LYS 64 + HB2 LYS 64 OK 92 92 - 100 - 1.8=100 * HD2 LYS 64 + HB2 LYS 64 OK 75 100 - 75 - 3.8=47, 1.8/2879=9...(24) HB3 LEU 76 - HB2 LYS 64 OK 41 99 - 41 - 3.1/2832=4, 3235/3.0=4...(24) HG LEU 12 - HB2 LYS 64 OK 28 99 - 28 - 1183=3, 2.1/1197=3...(14) HB3 ARG 45 - HB2 LYS 64 OK 27 100 - 27 - ~6016=3, 2841/3.0=3...(13) HG2 LYS 65 - HB2 LYS 64 OK 15 97 - 16 - 2937/4.6=5, 2823/3.0=2...(4) HG3 LYS 78 - HB2 LYS 64 OK 13 100 - 13 - 2863/3.0=1, 2.9/5430=1 HG LEU 79 - HB2 LYS 64 lone 4 83 - 5 - Peak 2834 from cnoeabs.peaks (1.52, 1.36, 32.26 ppm; 3.74 A): 2 out of 15 assignments used, quality = 1.00: * HD3 LYS 64 + HB2 LYS 64 OK 100 100 - 100 - 3.8=98, 1.8/2833=12...(23) HG LEU 34 + HB2 LYS 64 OK 50 98 - 52 - ~4675=9, 2092/1.8=6...(17) HB3 LYS 44 - HB2 LYS 64 OK 44 89 - 50 - 2270=5, 2272/1.8=5...(26) HB2 ARG 45 - HB2 LYS 64 OK 41 92 - 45 - 6016/1.8=7, 6016/3.8=5...(20) HD2 LYS 56 - HB2 LYS 64 OK 29 99 - 30 - 2864/3.0=2, 2844/1.8=2...(9) HB2 LYS 56 - HB2 LYS 64 OK 24 76 - 32 - ~5423=2, 2622=2...(16) QB ALA 71 - HB2 LYS 64 OK 23 100 - 23 - 5662/3.0=6, 2.9/5642=2...(9) HD2 LYS 17 - HB2 LYS 64 OK 17 92 - 18 - ~4675=2, 2844/1.8=1...(8) HD3 LYS 17 - HB2 LYS 64 OK 17 92 - 18 - ~4675=2, 2844/1.8=1...(8) HG3 ARG 27 - HB2 LYS 64 OK 12 99 - 12 - 1794/1.8=1, 2864/3.0=1 HB3 LYS 26 - HB2 LYS 64 OK 10 99 - 11 - HB2 LEU 85 - HB2 LYS 64 lone 6 97 - 6 - 4.0/2827=1 HB3 LEU 87 - HB2 LYS 64 lone 5 99 - 5 - HG2 GLU 37 - HB2 LYS 64 lone 5 78 - 6 - HG LEU 30 - HB2 LYS 64 lone 3 90 - 4 - Peak 2835 from cnoeabs.peaks (2.74, 1.36, 32.26 ppm; 5.40 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 64 + HB2 LYS 64 OK 100 100 - 100 - 4.9=100 HE3 LYS 64 + HB2 LYS 64 OK 100 100 - 100 - 4.9=100 HB3 ASN 90 - HB2 LYS 64 lone 5 60 - 7 - Peak 2836 from cnoeabs.peaks (2.74, 1.36, 32.26 ppm; 5.40 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 64 + HB2 LYS 64 OK 100 100 - 100 - 4.9=100 HE2 LYS 64 + HB2 LYS 64 OK 100 100 - 100 - 4.9=100 HE3 LYS 44 - HB2 LYS 64 OK 35 60 - 59 - 1.8/2320=6, 3.0/2300=6...(22) HB3 ASN 90 - HB2 LYS 64 lone 5 65 - 8 - Peak 2837 from cnoeabs.peaks (8.29, 1.44, 32.26 ppm; 5.24 A): 1 out of 14 assignments used, quality = 1.00: * H LYS 64 + HB3 LYS 64 OK 100 100 - 100 - 4.0=100 H VAL 66 - HB3 LYS 64 OK 34 60 - 56 - 1041/3.0=18, 4.6/4024=15...(12) H GLY 16 - HB3 LYS 64 OK 30 100 - 30 - 2827/1.8=6, 2847/3.0=4...(8) H GLU 77 - HB3 LYS 64 OK 22 63 - 36 - 4.6/5431=6, 362/3.0=5...(12) H LYS 64 - HB3 ARG 45 OK 22 62 - 35 - 3.0/2838=8, 4.8/2841=7...(11) H ALA 60 - HB3 LYS 64 OK 18 85 - 21 - 2827/1.8=4, 2847/3.0=3...(8) H LEU 85 - HB3 LYS 64 OK 16 89 - 17 - 2827/1.8=3, 2847/3.0=3...(7) H GLU 37 - HB3 LYS 64 poor 8 65 - 12 - 2817/3.0=2, 290/4.6=2...(6) H ALA 60 - HB3 ARG 45 poor 8 46 - 17 - ~5364=6, 787/2.9=3...(5) H GLY 16 - HB3 ARG 45 lone 3 62 - 5 - 37/3.6=1, 37/3.6=1 H GLU 37 - HB3 ARG 45 lone 3 33 - 10 - 4.6/4783=3, ~2168=2, 683/1.8=2 H LEU 85 - HB3 ARG 45 lone 3 49 - 6 - 397/3.0=1 H VAL 66 - HB3 ARG 45 lone 3 30 - 9 - 4.6/4024=2, 1041/2838=1 H GLU 77 - HB3 ARG 45 lone 2 32 - 6 - Peak 2838 from cnoeabs.peaks (3.28, 1.44, 32.26 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 64 + HB3 LYS 64 OK 100 100 - 100 - 3.0=100 HA LYS 64 - HB3 ARG 45 OK 23 62 - 38 - 4.1/2841=5, 2823=4...(17) Peak 2839 from cnoeabs.peaks (1.36, 1.44, 32.26 ppm; 2.91 A): 1 out of 22 assignments used, quality = 1.00: * HB2 LYS 64 + HB3 LYS 64 OK 100 100 - 100 - 1.8=100 QB ALA 67 - HB3 LYS 64 OK 39 98 - 40 - 4172/3.0=18, ~4170=6...(11) HG2 LYS 44 - HB3 LYS 64 OK 36 99 - 37 - 2282=5, 2879/3.8=3...(21) HB3 LEU 12 - HB3 LYS 64 OK 27 93 - 29 - 4.0/4024=2, ~1169=2...(18) HG2 LYS 44 - HB3 ARG 45 OK 21 59 - 35 - 2281/2.9=6, ~6015=5...(16) HB3 LYS 56 - HB3 LYS 64 OK 18 90 - 20 - 2859/3.0=2, 2879/3.8=2...(8) HG2 LYS 68 - HB3 LYS 64 OK 18 99 - 18 - 2819/3.0=2, 292/4.6=2...(7) HB2 LYS 64 - HB3 ARG 45 OK 17 62 - 28 - 2833=4, 3.0/2841=3...(13) HG3 LYS 91 - HB3 LYS 64 lone 5 97 - 5 - HG2 LYS 91 - HB3 LYS 64 lone 5 97 - 5 - QB ALA 69 - HB3 LYS 64 lone 4 76 - 6 - QB ALA 86 - HB3 LYS 64 lone 2 81 - 3 - QB ALA 89 - HB3 LYS 64 lone 2 99 - 2 - HB3 LYS 56 - HB3 ARG 45 lone 2 50 - 3 - HB3 LEU 12 - HB3 ARG 45 lone 1 53 - 3 - QB ALA 67 - HB3 ARG 45 lone 1 58 - 2 - 4172/2838=1 HG2 LYS 68 - HB3 ARG 45 lone 1 60 - 2 - HG3 LYS 91 - HB3 ARG 45 lone 0 56 - 1 - HG2 LYS 91 - HB3 ARG 45 lone 0 56 - 1 - QB ALA 69 - HB3 ARG 45 lone 0 40 - 1 - QB ALA 86 - HB3 ARG 45 lone 0 43 - 1 - QB ALA 89 - HB3 ARG 45 lone 0 60 - 0 - Peak 2840 from cnoeabs.peaks (1.44, 1.44, 32.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 64 + HB3 LYS 64 OK 100 100 - 100 HB3 ARG 45 + HB3 ARG 45 OK 54 54 - 100 Peak 2841 from cnoeabs.peaks (0.58, 1.44, 32.26 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 64 + HB3 LYS 64 OK 100 100 - 100 - 3.0=100 HG2 LYS 64 - HB3 ARG 45 OK 31 62 - 50 - ~6016=5, 2853=5...(21) Peak 2842 from cnoeabs.peaks (0.70, 1.44, 32.26 ppm; 4.16 A): 2 out of 8 assignments used, quality = 1.00: * HG3 LYS 64 + HB3 LYS 64 OK 100 100 - 100 - 3.0=100 QD2 LEU 76 + HB3 LYS 64 OK 75 97 - 78 - 2832/1.8=12, 2852/3.0=11...(32) QG1 VAL 50 - HB3 LYS 64 OK 37 98 - 37 - 2832/1.8=6, 2852/3.0=5...(12) HG3 LYS 64 - HB3 ARG 45 OK 32 62 - 52 - 1.8/2841=9, ~6016=5...(21) QG2 VAL 20 - HB3 LYS 64 OK 20 73 - 27 - 2832/1.8=4, 2822/3.0=3...(12) QD2 LEU 76 - HB3 ARG 45 poor 6 57 - 11 - QG1 VAL 50 - HB3 ARG 45 lone 5 58 - 8 - 2493/2.9=2 QG2 VAL 20 - HB3 ARG 45 lone 1 38 - 3 - Peak 2843 from cnoeabs.peaks (1.46, 1.44, 32.26 ppm; diagonal): 2 out of 2 assignments used, quality = 0.97: HB3 LYS 64 + HB3 LYS 64 OK 92 92 - 100 HB3 ARG 45 + HB3 ARG 45 OK 61 61 - 100 Reference assignment not found: HD2 LYS 64 - HB3 LYS 64 Peak 2844 from cnoeabs.peaks (1.52, 1.44, 32.26 ppm; 3.08 A): 4 out of 30 assignments used, quality = 0.96: * HD3 LYS 64 + HB3 LYS 64 OK 79 100 - 79 - 3.8=55, 2879/1.8=10...(21) HB2 ARG 45 + HB3 ARG 45 OK 51 51 - 100 - 1.8=100 HG LEU 34 + HB3 LYS 64 OK 40 98 - 40 - ~4675=6, 2092=5, ~4677=4...(14) HB2 ARG 45 + HB3 LYS 64 OK 34 92 - 38 - 6016=7, 2.9/2338=4...(21) HB3 LYS 44 - HB3 LYS 64 OK 28 89 - 31 - 2272=4, 2270/1.8=3...(17) HD3 LYS 64 - HB3 ARG 45 OK 21 62 - 34 - ~6016=4, 2883=4...(17) HD2 LYS 56 - HB3 LYS 64 OK 18 99 - 19 - 2834/1.8=2, 2864/3.0=2...(7) HB3 LYS 44 - HB3 ARG 45 OK 18 49 - 37 - 2271/2.9=6, ~6015=4...(17) HB2 LYS 56 - HB3 LYS 64 OK 15 76 - 20 - 1.8/2839=2, 2622/1.8=2...(7) QB ALA 71 - HB3 LYS 64 OK 12 100 - 12 - 5662/3.0=4, 2834/1.8=2 HD3 LYS 17 - HB3 LYS 64 OK 11 92 - 11 - ~4675=1, 2834/1.8=1 HD2 LYS 17 - HB3 LYS 64 OK 11 92 - 11 - ~4675=1, 2834/1.8=1 HG3 ARG 27 - HB3 LYS 64 lone 9 99 - 9 - 1794=1 HB3 LYS 26 - HB3 LYS 64 lone 7 99 - 7 - HB3 LYS 26 - HB3 ARG 45 poor 6 60 - 10 - 1690/2.9=2, 2337/2.9=1 HB2 LEU 85 - HB3 LYS 64 lone 3 97 - 3 - HB3 LEU 87 - HB3 LYS 64 lone 3 99 - 3 - HG2 GLU 37 - HB3 LYS 64 lone 2 78 - 3 - HD2 LYS 56 - HB3 ARG 45 lone 2 59 - 4 - HG LEU 30 - HB3 LYS 64 lone 2 90 - 2 - HB2 LYS 56 - HB3 ARG 45 lone 2 40 - 4 - HG LEU 34 - HB3 ARG 45 lone 2 58 - 3 - HG3 ARG 27 - HB3 ARG 45 lone 1 60 - 2 - QB ALA 71 - HB3 ARG 45 lone 1 61 - 2 - HB2 LEU 85 - HB3 ARG 45 lone 1 56 - 2 - HG2 GLU 37 - HB3 ARG 45 lone 1 41 - 3 - HD3 LYS 17 - HB3 ARG 45 lone 1 51 - 2 - HD2 LYS 17 - HB3 ARG 45 lone 1 51 - 2 - HB3 LEU 87 - HB3 ARG 45 lone 1 59 - 1 - HG LEU 30 - HB3 ARG 45 lone 0 50 - 1 - Peak 2845 from cnoeabs.peaks (2.74, 1.44, 32.26 ppm; 5.03 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 64 + HB3 LYS 64 OK 100 100 - 100 - 4.9=100 HE3 LYS 64 + HB3 LYS 64 OK 100 100 - 100 - 4.9=100 HE2 LYS 64 - HB3 ARG 45 OK 32 62 - 53 - 3.8/2841=8, ~6016=7...(20) HE3 LYS 64 - HB3 ARG 45 OK 31 61 - 51 - 3.8/2841=8, ~6016=7...(19) HB3 ASN 90 - HB3 LYS 64 lone 3 60 - 5 - HB3 ASN 90 - HB3 ARG 45 lone 1 30 - 2 - Peak 2846 from cnoeabs.peaks (2.74, 1.44, 32.26 ppm; 5.03 A): 2 out of 8 assignments used, quality = 1.00: * HE3 LYS 64 + HB3 LYS 64 OK 100 100 - 100 - 4.9=100 HE2 LYS 64 + HB3 LYS 64 OK 100 100 - 100 - 4.9=100 HE3 LYS 44 - HB3 LYS 64 OK 34 60 - 57 - 3.5/2839=5, 2836/1.8=5...(22) HE2 LYS 64 - HB3 ARG 45 OK 32 61 - 53 - 3.8/2841=8, ~6016=7...(20) HE3 LYS 64 - HB3 ARG 45 OK 32 62 - 52 - 3.8/2841=8, ~6016=7...(19) HE3 LYS 44 - HB3 ARG 45 OK 18 30 - 61 - ~2321=9, ~2301=7...(24) HB3 ASN 90 - HB3 LYS 64 lone 4 65 - 5 - HB3 ASN 90 - HB3 ARG 45 lone 1 33 - 2 - Peak 2847 from cnoeabs.peaks (8.29, 0.58, 26.14 ppm; 4.90 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 64 + HG2 LYS 64 OK 100 100 - 100 - 4.8=100 H GLY 16 - HG2 LYS 64 OK 24 100 - 24 - 2857/1.8=4, 2827/3.0=4...(8) H VAL 66 - HG2 LYS 64 OK 24 60 - 40 - 1041/4.1=13, 300/4.9=11...(8) H GLU 77 - HG2 LYS 64 OK 19 63 - 30 - 362/1.8=6, 4.6/5433=6...(9) H ALA 60 - HG2 LYS 64 OK 16 85 - 19 - 2827/3.0=3, 2857/1.8=3...(8) H LEU 85 - HG2 LYS 64 OK 14 89 - 15 - 2857/1.8=3, 2827/3.0=2...(7) H GLU 37 - HG2 LYS 64 lone 6 65 - 9 - 290/4.9=1, 2817/4.1=1 Peak 2848 from cnoeabs.peaks (3.28, 0.58, 26.14 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 64 + HG2 LYS 64 OK 100 100 - 100 - 4.1=100 Peak 2849 from cnoeabs.peaks (1.36, 0.58, 26.14 ppm; 3.98 A): 3 out of 11 assignments used, quality = 1.00: * HB2 LYS 64 + HG2 LYS 64 OK 100 100 - 100 - 3.0=100 HG2 LYS 44 + HG2 LYS 64 OK 57 99 - 58 - 2879/2.9=6, 2859/1.8=6...(34) QB ALA 67 + HG2 LYS 64 OK 52 98 - 54 - 4172/4.1=25, 2859/1.8=6...(15) HB3 LEU 12 - HG2 LYS 64 OK 39 93 - 42 - 2859/1.8=4, 1173/4.9=4...(22) HG2 LYS 68 - HG2 LYS 64 OK 35 99 - 35 - 3.0/5434=4, 3.0/5434=4...(14) HB3 LYS 56 - HG2 LYS 64 OK 33 90 - 37 - 2859/1.8=4, 2879/2.9=4...(17) HG2 LYS 91 - HG2 LYS 64 lone 10 97 - 10 - 2859/1.8=1 HG3 LYS 91 - HG2 LYS 64 lone 10 97 - 10 - 2859/1.8=1 QB ALA 69 - HG2 LYS 64 poor 9 76 - 11 - 5582/1.8=1, 292/4.9=1 QB ALA 89 - HG2 LYS 64 lone 4 99 - 4 - QB ALA 86 - HG2 LYS 64 lone 4 81 - 5 - Peak 2850 from cnoeabs.peaks (1.44, 0.58, 26.14 ppm; 3.76 A): 3 out of 10 assignments used, quality = 1.00: * HB3 LYS 64 + HG2 LYS 64 OK 100 100 - 100 - 3.0=100 HD2 LYS 64 + HG2 LYS 64 OK 92 92 - 100 - 2.9=100 HB3 LEU 76 + HG2 LYS 64 OK 52 78 - 67 - 3.1/2852=9, 3235/1.8=7...(31) HD2 LYS 44 - HG2 LYS 64 OK 44 83 - 53 - 3.0/2849=4, 2300/3.0=4...(34) HB3 ARG 45 - HG2 LYS 64 OK 42 95 - 45 - 2841=8, ~6016=4...(21) HB3 LEU 34 - HG2 LYS 64 OK 36 85 - 43 - ~4677=7, 3.1/5434=6...(22) HG LEU 12 - HG2 LYS 64 OK 23 76 - 31 - 3.0/2849=3, 2833/3.0=3...(18) HG2 LYS 65 - HG2 LYS 64 OK 22 100 - 22 - 2937/4.9=8, 2860/1.8=2...(8) HG3 LYS 78 - HG2 LYS 64 OK 19 90 - 21 - 2.9/5433=2, 2863/1.8=2...(11) HG2 ARG 27 - HG2 LYS 64 poor 9 76 - 12 - 1.8/2854=1 Peak 2851 from cnoeabs.peaks (0.58, 0.58, 26.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 64 + HG2 LYS 64 OK 100 100 - 100 Peak 2852 from cnoeabs.peaks (0.70, 0.58, 26.14 ppm; 2.99 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 64 + HG2 LYS 64 OK 100 100 - 100 - 1.8=100 QD2 LEU 76 + HG2 LYS 64 OK 51 97 - 52 - 2872/2.9=6, 2882/2.9=6...(26) QG1 VAL 50 - HG2 LYS 64 OK 23 98 - 24 - 2882/2.9=3, 2872/2.9=3...(10) QG2 VAL 20 - HG2 LYS 64 OK 11 73 - 15 - 2832/3.0=1, 2872/2.9=1...(6) Peak 2853 from cnoeabs.peaks (1.46, 0.58, 26.14 ppm; 3.68 A): 3 out of 8 assignments used, quality = 1.00: * HD2 LYS 64 + HG2 LYS 64 OK 100 100 - 100 - 2.9=100 HB3 LYS 64 + HG2 LYS 64 OK 92 92 - 100 - 3.0=100 HB3 LEU 76 + HG2 LYS 64 OK 67 99 - 67 - 3.1/2852=9, 3235/1.8=9...(31) HB3 ARG 45 - HG2 LYS 64 OK 43 100 - 43 - 2841=7, 2863/1.8=4...(20) HG LEU 12 - HG2 LYS 64 OK 31 99 - 31 - 2833/3.0=3, 2863/1.8=3...(18) HG3 LYS 78 - HG2 LYS 64 OK 22 100 - 22 - 2863/1.8=2, 2.9/5433=2...(12) HG2 LYS 65 - HG2 LYS 64 OK 22 97 - 22 - 2937/4.9=8, 2863/1.8=2...(9) HG LEU 79 - HG2 LYS 64 lone 7 83 - 8 - 296/4.9=1 Peak 2854 from cnoeabs.peaks (1.52, 0.58, 26.14 ppm; 4.12 A): 4 out of 15 assignments used, quality = 1.00: * HD3 LYS 64 + HG2 LYS 64 OK 100 100 - 100 - 2.9=100 HG LEU 34 + HG2 LYS 64 OK 52 98 - 53 - ~4677=10, 2.1/5434=9...(21) HB2 ARG 45 + HG2 LYS 64 OK 49 92 - 53 - 1.8/2841=9, 6016/2.9=7...(24) HB3 LYS 44 + HG2 LYS 64 OK 46 89 - 52 - 2.9/2849=5, 2864/1.8=4...(27) HD2 LYS 56 - HG2 LYS 64 OK 35 99 - 35 - 2864/1.8=3, 3.4/2849=3...(14) HB2 LYS 56 - HG2 LYS 64 OK 29 76 - 38 - 1.8/2849=4, 2864/1.8=3...(15) QB ALA 71 - HG2 LYS 64 OK 24 100 - 24 - 5662/1.8=8, ~5645=3...(9) HD3 LYS 17 - HG2 LYS 64 OK 18 92 - 19 - 3.0/5434=2, ~4677=2...(7) HD2 LYS 17 - HG2 LYS 64 OK 18 92 - 19 - 3.0/5434=2, ~4677=2...(7) HB3 LYS 26 - HG2 LYS 64 OK 15 99 - 15 - 2.9/5434=2, 2864/1.8=1 HG3 ARG 27 - HG2 LYS 64 OK 15 99 - 14 - 2864/1.8=1, 1794/3.0=1 HB2 LEU 85 - HG2 LYS 64 lone 7 97 - 7 - 4.0/2847=1 HG2 GLU 37 - HG2 LYS 64 lone 6 78 - 8 - HB3 LEU 87 - HG2 LYS 64 lone 5 99 - 5 - HG LEU 30 - HG2 LYS 64 lone 4 90 - 5 - Peak 2855 from cnoeabs.peaks (2.74, 0.58, 26.14 ppm; 4.16 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 64 + HG2 LYS 64 OK 100 100 - 100 - 3.8=100 HE3 LYS 64 + HG2 LYS 64 OK 100 100 - 100 - 3.8=100 HB3 ASN 90 - HG2 LYS 64 lone 2 60 - 4 - Peak 2856 from cnoeabs.peaks (2.74, 0.58, 26.14 ppm; 4.16 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 64 + HG2 LYS 64 OK 100 100 - 100 - 3.8=100 HE2 LYS 64 + HG2 LYS 64 OK 100 100 - 100 - 3.8=100 HE3 LYS 44 - HG2 LYS 64 OK 29 60 - 48 - 2901=5, 3.5/2849=5...(22) HB3 ASN 90 - HG2 LYS 64 lone 3 65 - 4 - Peak 2857 from cnoeabs.peaks (8.29, 0.70, 26.14 ppm; 5.16 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 64 + HG3 LYS 64 OK 100 100 - 100 - 4.8=100 H GLU 77 - HG3 LYS 64 OK 31 63 - 49 - 3.6/3221=10, 4.6/3235=8...(11) H VAL 66 - HG3 LYS 64 OK 28 60 - 47 - 1041/4.1=14, 300/4.9=12...(9) H GLY 16 - HG3 LYS 64 OK 27 100 - 27 - 2847/1.8=5, 2827/3.0=5...(8) H ALA 60 - HG3 LYS 64 OK 18 85 - 21 - 2827/3.0=3, 2847/1.8=3...(8) H LEU 85 - HG3 LYS 64 OK 15 89 - 17 - 2847/1.8=3, 2827/3.0=3...(7) H GLU 37 - HG3 LYS 64 poor 7 65 - 10 - 290/4.9=1, 2847/1.8=1...(4) Peak 2858 from cnoeabs.peaks (3.28, 0.70, 26.14 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.97: * HA LYS 64 + HG3 LYS 64 OK 97 100 - 97 - 4.1=86, 2821/1.8=39...(24) Peak 2859 from cnoeabs.peaks (1.36, 0.70, 26.14 ppm; 3.94 A): 3 out of 11 assignments used, quality = 1.00: * HB2 LYS 64 + HG3 LYS 64 OK 100 100 - 100 - 3.0=100 HG2 LYS 44 + HG3 LYS 64 OK 56 99 - 57 - 2879/2.9=6, 2849/1.8=6...(34) QB ALA 67 + HG3 LYS 64 OK 55 98 - 56 - 4172/4.1=24, 2849/1.8=5...(18) HB3 LEU 12 - HG3 LYS 64 OK 37 93 - 40 - 2849/1.8=4, 1173/4.9=4...(21) HG2 LYS 68 - HG3 LYS 64 OK 35 99 - 36 - 2849/1.8=4, 2.9/6047=3...(14) HB3 LYS 56 - HG3 LYS 64 OK 35 90 - 39 - 2879/2.9=4, 2849/1.8=3...(17) QB ALA 69 - HG3 LYS 64 OK 11 76 - 14 - 5582=1, 292/4.9=1 HG2 LYS 91 - HG3 LYS 64 lone 10 97 - 10 - 2849/1.8=1 HG3 LYS 91 - HG3 LYS 64 lone 10 97 - 10 - 2849/1.8=1 QB ALA 89 - HG3 LYS 64 lone 4 99 - 4 - QB ALA 86 - HG3 LYS 64 lone 4 81 - 5 - Peak 2860 from cnoeabs.peaks (1.44, 0.70, 26.14 ppm; 3.68 A): 3 out of 10 assignments used, quality = 1.00: * HB3 LYS 64 + HG3 LYS 64 OK 100 100 - 100 - 3.0=100 HD2 LYS 64 + HG3 LYS 64 OK 92 92 - 100 - 2.9=100 HB3 LEU 76 + HG3 LYS 64 OK 55 78 - 70 - 3235=9, 1.8/3228=8...(31) HD2 LYS 44 - HG3 LYS 64 OK 42 83 - 51 - 3.0/2859=4, 2300/3.0=4...(32) HB3 ARG 45 - HG3 LYS 64 OK 40 95 - 43 - 2841/1.8=7, 2842=4...(21) HB3 LEU 34 - HG3 LYS 64 OK 35 85 - 41 - 3.1/4677=9, ~5434=4...(20) HG2 LYS 65 - HG3 LYS 64 OK 23 100 - 23 - 2937/4.9=8, 3.7/5455=2...(9) HG LEU 12 - HG3 LYS 64 OK 21 76 - 28 - 2833/3.0=3, 3.0/2859=3...(17) HG3 LYS 78 - HG3 LYS 64 OK 19 90 - 21 - 2853/1.8=2, 2.9/6191=2...(11) HG2 ARG 27 - HG3 LYS 64 poor 10 76 - 13 - 4541/4727=1, 1.8/2864=1 Peak 2861 from cnoeabs.peaks (0.58, 0.70, 26.14 ppm; 3.00 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 64 + HG3 LYS 64 OK 100 100 - 100 - 1.8=100 Peak 2862 from cnoeabs.peaks (0.70, 0.70, 26.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 64 + HG3 LYS 64 OK 100 100 - 100 Peak 2863 from cnoeabs.peaks (1.46, 0.70, 26.14 ppm; 3.56 A): 3 out of 8 assignments used, quality = 1.00: * HD2 LYS 64 + HG3 LYS 64 OK 100 100 - 100 - 2.9=100 HB3 LYS 64 + HG3 LYS 64 OK 92 92 - 100 - 3.0=100 HB3 LEU 76 + HG3 LYS 64 OK 69 99 - 70 - 3235=10, 1.8/3228=8...(31) HB3 ARG 45 - HG3 LYS 64 OK 40 100 - 40 - 2841/1.8=6, ~6016=4...(19) HG LEU 12 - HG3 LYS 64 OK 28 99 - 28 - 2833/3.0=3, 2853/1.8=3...(16) HG2 LYS 65 - HG3 LYS 64 OK 22 97 - 22 - 2937/4.9=7, 2853/1.8=2...(8) HG3 LYS 78 - HG3 LYS 64 OK 22 100 - 21 - 2853/1.8=2, 2833/3.0=1...(9) HG LEU 79 - HG3 LYS 64 lone 7 83 - 9 - 296/4.9=1 Peak 2864 from cnoeabs.peaks (1.52, 0.70, 26.14 ppm; 3.74 A): 2 out of 15 assignments used, quality = 1.00: * HD3 LYS 64 + HG3 LYS 64 OK 100 100 - 100 - 2.9=100 HG LEU 34 + HG3 LYS 64 OK 46 98 - 47 - 2.1/4677=11, ~5434=6...(17) HB2 ARG 45 - HG3 LYS 64 OK 42 92 - 46 - 6016/2.9=7, 6016/3.0=5...(23) HB3 LYS 44 - HG3 LYS 64 OK 39 89 - 44 - 2.9/2859=4, 2270/3.0=4...(26) HD2 LYS 56 - HG3 LYS 64 OK 31 99 - 32 - 2854/1.8=3, 3.4/2859=2...(10) QB ALA 71 - HG3 LYS 64 OK 30 100 - 30 - 5662=8, 2.9/5645=3...(9) HB2 LYS 56 - HG3 LYS 64 OK 27 76 - 36 - 1.8/2859=3, 2854/1.8=2...(14) HD3 LYS 17 - HG3 LYS 64 OK 15 92 - 16 - 3.0/4677=2, ~5434=1...(4) HD2 LYS 17 - HG3 LYS 64 OK 15 92 - 16 - 3.0/4677=2, ~5434=1...(4) HG3 ARG 27 - HG3 LYS 64 OK 13 99 - 13 - 2854/1.8=1, 1794/3.0=1 HB3 LYS 26 - HG3 LYS 64 OK 13 99 - 13 - 4516/4727=1, ~5434=1, 2854/1.8=1 HB2 LEU 85 - HG3 LYS 64 lone 6 97 - 6 - 4.0/2857=1 HG LEU 30 - HG3 LYS 64 lone 5 90 - 6 - 4583/2499=1 HG2 GLU 37 - HG3 LYS 64 lone 5 78 - 6 - HB3 LEU 87 - HG3 LYS 64 lone 5 99 - 4 - Peak 2865 from cnoeabs.peaks (2.74, 0.70, 26.14 ppm; 4.01 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 64 + HG3 LYS 64 OK 100 100 - 100 - 3.8=100 HE3 LYS 64 + HG3 LYS 64 OK 100 100 - 100 - 3.8=100 HB3 ASN 90 - HG3 LYS 64 lone 2 60 - 3 - Peak 2866 from cnoeabs.peaks (2.74, 0.70, 26.14 ppm; 4.01 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 64 + HG3 LYS 64 OK 100 100 - 100 - 3.8=100 HE2 LYS 64 + HG3 LYS 64 OK 100 100 - 100 - 3.8=100 HE3 LYS 44 - HG3 LYS 64 OK 26 60 - 44 - 2901/1.8=4, 3.5/2859=4...(23) HB3 ASN 90 - HG3 LYS 64 lone 2 65 - 4 - Peak 2867 from cnoeabs.peaks (8.29, 1.46, 29.20 ppm; 6.20 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 64 + HD2 LYS 64 OK 100 100 - 100 - 6.2=100 H VAL 66 - HD2 LYS 64 OK 29 60 - 49 - 1041/5.0=17, 2827/3.8=5...(11) H GLU 77 - HD2 LYS 64 OK 29 63 - 47 - 4.6/5438=10, 3.6/3218=7...(12) H GLY 16 - HD2 LYS 64 OK 26 100 - 26 - 2827/3.8=5, 2847/2.9=5...(5) H ALA 60 - HD2 LYS 64 OK 20 85 - 24 - 2827/3.8=4, 2847/2.9=4...(8) H LEU 85 - HD2 LYS 64 OK 18 89 - 19 - 2847/2.9=3, 2857/2.9=3...(6) H GLU 37 - HD2 LYS 64 poor 8 65 - 12 - 2817/5.0=1, 2847/2.9=1...(5) Peak 2868 from cnoeabs.peaks (3.28, 1.46, 29.20 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 64 + HD2 LYS 64 OK 100 100 - 100 - 5.0=100 Peak 2869 from cnoeabs.peaks (1.36, 1.46, 29.20 ppm; 3.79 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LYS 64 + HD2 LYS 64 OK 100 100 - 100 - 3.8=100 HG2 LYS 44 + HD2 LYS 64 OK 54 99 - 55 - 2879/1.8=8, 2849/2.9=4...(27) QB ALA 67 - HD2 LYS 64 OK 38 98 - 39 - 4172/5.0=17, 2879/1.8=5...(9) HB3 LEU 12 - HD2 LYS 64 OK 32 93 - 34 - 1177=5, 1.8/1170=3...(14) HB3 LYS 56 - HD2 LYS 64 OK 30 90 - 33 - 2879/1.8=4, 2859/2.9=3...(16) HG2 LYS 68 - HD2 LYS 64 OK 21 99 - 22 - 2879/1.8=3, 2859/2.9=3...(7) HG2 LYS 91 - HD2 LYS 64 lone 7 97 - 7 - HG3 LYS 91 - HD2 LYS 64 lone 7 97 - 7 - QB ALA 69 - HD2 LYS 64 lone 6 76 - 8 - 5582/2.9=1 QB ALA 89 - HD2 LYS 64 lone 3 99 - 3 - QB ALA 86 - HD2 LYS 64 lone 3 81 - 3 - Peak 2870 from cnoeabs.peaks (1.44, 1.46, 29.20 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: HD2 LYS 64 + HD2 LYS 64 OK 92 92 - 100 Reference assignment not found: HB3 LYS 64 - HD2 LYS 64 Peak 2871 from cnoeabs.peaks (0.58, 1.46, 29.20 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 64 + HD2 LYS 64 OK 100 100 - 100 - 2.9=100 Peak 2872 from cnoeabs.peaks (0.70, 1.46, 29.20 ppm; 3.83 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 64 + HD2 LYS 64 OK 100 100 - 100 - 2.9=100 QD2 LEU 76 + HD2 LYS 64 OK 72 97 - 74 - 2882/1.8=12, 2852/2.9=10...(29) QG1 VAL 50 - HD2 LYS 64 OK 34 98 - 34 - 2882/1.8=7, 2852/2.9=5...(13) QG2 VAL 20 - HD2 LYS 64 OK 17 73 - 22 - 2882/1.8=3, 2.1/5438=2...(9) Peak 2873 from cnoeabs.peaks (1.46, 1.46, 29.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 64 + HD2 LYS 64 OK 100 100 - 100 Peak 2874 from cnoeabs.peaks (1.52, 1.46, 29.20 ppm; 2.43 A): 1 out of 15 assignments used, quality = 1.00: * HD3 LYS 64 + HD2 LYS 64 OK 100 100 - 100 - 1.8=100 HB2 ARG 45 - HD2 LYS 64 OK 24 92 - 26 - 6016=5, 2.9/2338=3...(10) HG LEU 34 - HD2 LYS 64 OK 20 98 - 20 - ~4677=2, ~4669=2...(10) HB3 LYS 44 - HD2 LYS 64 OK 15 89 - 17 - 2.9/2869=2, 2275/3.0=1...(7) HD2 LYS 56 - HD2 LYS 64 OK 11 99 - 11 - HB2 LYS 56 - HD2 LYS 64 OK 10 76 - 14 - 1.8/2869=1, ~2879=1, 2625/1.8=1 QB ALA 71 - HD2 LYS 64 lone 7 100 - 7 - 5662/2.9=2 HD3 LYS 17 - HD2 LYS 64 lone 4 92 - 4 - HD2 LYS 17 - HD2 LYS 64 lone 4 92 - 4 - HG3 ARG 27 - HD2 LYS 64 lone 4 99 - 4 - HB3 LYS 26 - HD2 LYS 64 lone 4 99 - 4 - HB2 LEU 85 - HD2 LYS 64 lone 2 97 - 2 - HB3 LEU 87 - HD2 LYS 64 lone 1 99 - 1 - HG LEU 30 - HD2 LYS 64 lone 1 90 - 1 - HG2 GLU 37 - HD2 LYS 64 lone 1 78 - 1 - Peak 2875 from cnoeabs.peaks (2.74, 1.46, 29.20 ppm; 3.52 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 64 + HD2 LYS 64 OK 100 100 - 100 - 3.0=100 HE3 LYS 64 + HD2 LYS 64 OK 100 100 - 100 - 3.0=100 HB3 ASN 90 - HD2 LYS 64 lone 2 60 - 3 - Peak 2876 from cnoeabs.peaks (2.74, 1.46, 29.20 ppm; 3.52 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 64 + HD2 LYS 64 OK 100 100 - 100 - 3.0=100 HE2 LYS 64 + HD2 LYS 64 OK 100 100 - 100 - 3.0=100 HE3 LYS 44 - HD2 LYS 64 OK 22 60 - 36 - 3.5/2869=4, 2886/1.8=4...(18) HB3 ASN 90 - HD2 LYS 64 lone 2 65 - 3 - Peak 2878 from cnoeabs.peaks (3.28, 1.52, 29.20 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 64 + HD3 LYS 64 OK 100 100 - 100 - 5.0=100 Peak 2879 from cnoeabs.peaks (1.36, 1.52, 29.20 ppm; 3.47 A): 2 out of 11 assignments used, quality = 0.96: * HB2 LYS 64 + HD3 LYS 64 OK 93 100 - 93 - 3.8=79, 2833/1.8=11...(22) HG2 LYS 44 + HD3 LYS 64 OK 51 99 - 52 - 2869/1.8=6, 2279=5...(25) QB ALA 67 - HD3 LYS 64 OK 34 98 - 35 - 4172/5.0=14, 2869/1.8=4...(9) HB3 LYS 56 - HD3 LYS 64 OK 28 90 - 31 - 2869/1.8=3, 2635=3...(13) HB3 LEU 12 - HD3 LYS 64 OK 22 93 - 24 - 1177/1.8=3, 2849/2.9=3...(9) HG2 LYS 68 - HD3 LYS 64 OK 20 99 - 20 - 2859/2.9=2, 2849/2.9=2...(8) QB ALA 69 - HD3 LYS 64 lone 6 76 - 8 - HG3 LYS 91 - HD3 LYS 64 lone 6 97 - 6 - HG2 LYS 91 - HD3 LYS 64 lone 6 97 - 6 - QB ALA 86 - HD3 LYS 64 lone 3 81 - 3 - QB ALA 89 - HD3 LYS 64 lone 3 99 - 2 - Peak 2880 from cnoeabs.peaks (1.44, 1.52, 29.20 ppm; 2.44 A): 2 out of 10 assignments used, quality = 0.96: HD2 LYS 64 + HD3 LYS 64 OK 92 92 - 100 - 1.8=100 * HB3 LYS 64 + HD3 LYS 64 OK 52 100 - 52 - 3.8=27, 1.8/2879=6...(17) HB3 LEU 76 - HD3 LYS 64 OK 21 78 - 27 - 3.1/2882=3, 1.8/5439=2...(14) HB3 ARG 45 - HD3 LYS 64 OK 18 95 - 19 - ~6016=2, 2841/2.9=2...(8) HD2 LYS 44 - HD3 LYS 64 OK 17 83 - 21 - 3.0/2879=2, 2305/3.0=2...(11) HB3 LEU 34 - HD3 LYS 64 OK 15 85 - 18 - 2086=1, ~4677=1...(7) HG3 LYS 78 - HD3 LYS 64 lone 7 90 - 8 - 2.9/5439=1 HG LEU 12 - HD3 LYS 64 lone 7 76 - 9 - 3.0/2879=1 HG2 LYS 65 - HD3 LYS 64 lone 5 100 - 5 - HG2 ARG 27 - HD3 LYS 64 lone 3 76 - 4 - Peak 2881 from cnoeabs.peaks (0.58, 1.52, 29.20 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 64 + HD3 LYS 64 OK 100 100 - 100 - 2.9=100 Peak 2882 from cnoeabs.peaks (0.70, 1.52, 29.20 ppm; 3.73 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 64 + HD3 LYS 64 OK 100 100 - 100 - 2.9=100 QD2 LEU 76 + HD3 LYS 64 OK 68 97 - 70 - 2872/1.8=11, 2852/2.9=10...(27) QG1 VAL 50 - HD3 LYS 64 OK 38 98 - 38 - 2872/1.8=5, 2852/2.9=4...(15) QG2 VAL 20 - HD3 LYS 64 OK 16 73 - 21 - 2872/1.8=3, 2.1/5439=2...(9) Peak 2883 from cnoeabs.peaks (1.46, 1.52, 29.20 ppm; 2.40 A): 2 out of 8 assignments used, quality = 1.00: * HD2 LYS 64 + HD3 LYS 64 OK 100 100 - 100 - 1.8=100 HB3 LYS 64 + HD3 LYS 64 OK 46 92 - 50 - 3.8=26, 1.8/2879=5...(17) HB3 LEU 76 - HD3 LYS 64 OK 28 99 - 28 - 3.1/2882=3, 3235/2.9=3...(12) HB3 ARG 45 - HD3 LYS 64 OK 19 100 - 19 - ~6016=2, 2.9/2337=2...(8) HG LEU 12 - HD3 LYS 64 lone 9 99 - 9 - 2833/3.8=1 HG3 LYS 78 - HD3 LYS 64 lone 8 100 - 8 - HG2 LYS 65 - HD3 LYS 64 lone 5 97 - 5 - HG LEU 79 - HD3 LYS 64 lone 2 83 - 2 - Peak 2884 from cnoeabs.peaks (1.52, 1.52, 29.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 64 + HD3 LYS 64 OK 100 100 - 100 Peak 2885 from cnoeabs.peaks (2.74, 1.52, 29.20 ppm; 3.48 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 64 + HD3 LYS 64 OK 100 100 - 100 - 3.0=100 HE3 LYS 64 + HD3 LYS 64 OK 100 100 - 100 - 3.0=100 HB3 ASN 90 - HD3 LYS 64 lone 2 60 - 3 - Peak 2886 from cnoeabs.peaks (2.74, 1.52, 29.20 ppm; 3.48 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 64 + HD3 LYS 64 OK 100 100 - 100 - 3.0=100 HE2 LYS 64 + HD3 LYS 64 OK 100 100 - 100 - 3.0=100 HE3 LYS 44 - HD3 LYS 64 OK 23 60 - 38 - 3.5/2879=4, 2876/1.8=3...(18) HB3 ASN 90 - HD3 LYS 64 lone 2 65 - 3 - Peak 2889 from cnoeabs.peaks (1.36, 2.74, 41.78 ppm; 3.84 A): 3 out of 22 assignments used, quality = 0.99: * HB2 LYS 64 + HE2 LYS 64 OK 88 100 - 88 - 4.9=47, 3.0/2891=15...(25) HB2 LYS 64 + HE3 LYS 64 OK 88 100 - 88 - 4.9=47, 3.0/2891=15...(24) HG2 LYS 44 + HE2 LYS 64 OK 50 99 - 51 - 2879/3.0=6, 2869/3.0=5...(22) HG2 LYS 44 - HE3 LYS 64 OK 43 99 - 44 - 2879/3.0=6, 2869/3.0=5...(19) QB ALA 67 - HE3 LYS 64 OK 28 98 - 29 - 4172/6.7=9, 2879/3.0=4...(8) QB ALA 67 - HE2 LYS 64 OK 28 98 - 29 - 4172/6.7=9, 2879/3.0=4...(8) HB3 LYS 56 - HE2 LYS 64 OK 26 90 - 28 - 2879/3.0=3, 2869/3.0=3...(12) HB3 LYS 56 - HE3 LYS 64 OK 25 90 - 28 - 2879/3.0=3, 2869/3.0=3...(12) HB3 LEU 12 - HE3 LYS 64 OK 20 93 - 21 - 2869/3.0=3, 2879/3.0=3...(6) HB3 LEU 12 - HE2 LYS 64 OK 19 93 - 21 - 2869/3.0=3, 2879/3.0=3...(6) HG2 LYS 68 - HE3 LYS 64 OK 16 99 - 17 - 2879/3.0=2, 2859/3.8=2...(8) HG2 LYS 68 - HE2 LYS 64 OK 16 99 - 16 - 2879/3.0=2, 2859/3.8=2...(8) HG3 LYS 91 - HE3 LYS 64 lone 5 96 - 5 - HG2 LYS 91 - HE3 LYS 64 lone 5 96 - 5 - HG2 LYS 91 - HE2 LYS 64 lone 5 97 - 5 - HG3 LYS 91 - HE2 LYS 64 lone 5 97 - 5 - QB ALA 69 - HE3 LYS 64 lone 4 76 - 6 - QB ALA 69 - HE2 LYS 64 lone 4 76 - 5 - QB ALA 89 - HE3 LYS 64 lone 3 99 - 3 - QB ALA 89 - HE2 LYS 64 lone 3 99 - 3 - QB ALA 86 - HE3 LYS 64 lone 2 80 - 3 - QB ALA 86 - HE2 LYS 64 lone 2 81 - 3 - Peak 2890 from cnoeabs.peaks (1.44, 2.74, 41.78 ppm; 3.23 A): 4 out of 20 assignments used, quality = 1.00: HD2 LYS 64 + HE2 LYS 64 OK 92 92 - 100 - 3.0=100 HD2 LYS 64 + HE3 LYS 64 OK 92 92 - 100 - 3.0=100 * HB3 LYS 64 + HE2 LYS 64 OK 72 100 - 72 - 4.9=28, 3.0/2891=11...(22) HB3 LYS 64 + HE3 LYS 64 OK 71 100 - 71 - 4.9=28, 3.0/2891=11...(21) HB3 LEU 34 - HE2 LYS 64 OK 29 85 - 35 - 3.1/4671=6, 3.1/4669=6...(12) HB3 LEU 34 - HE3 LYS 64 OK 29 85 - 34 - 3.1/4671=6, 3.1/4669=6...(12) HD2 LYS 44 - HE2 LYS 64 OK 29 83 - 35 - 2305/1.8=4, ~2315=3...(21) HB3 LEU 76 - HE2 LYS 64 OK 25 78 - 32 - 2883/3.0=3, 3235/3.8=3...(17) HB3 LEU 76 - HE3 LYS 64 OK 25 78 - 32 - 2883/3.0=3, 3235/3.8=3...(17) HD2 LYS 44 - HE3 LYS 64 OK 25 83 - 30 - 2299/3.0=2, 2305=2...(17) HB3 ARG 45 - HE2 LYS 64 OK 25 95 - 26 - 2841/3.8=3, ~6016=3...(14) HB3 ARG 45 - HE3 LYS 64 OK 23 94 - 25 - 2841/3.8=3, ~6016=3...(13) HG LEU 12 - HE2 LYS 64 poor 9 76 - 12 - 2853/3.8=1, 2883/3.0=1...(4) HG LEU 12 - HE3 LYS 64 poor 9 76 - 11 - 2853/3.8=1, 2883/3.0=1...(4) HG3 LYS 78 - HE2 LYS 64 lone 8 90 - 9 - 2883/3.0=1 HG3 LYS 78 - HE3 LYS 64 lone 8 90 - 9 - 2883/3.0=1 HG2 LYS 65 - HE2 LYS 64 lone 7 100 - 7 - HG2 LYS 65 - HE3 LYS 64 lone 6 100 - 6 - HG2 ARG 27 - HE2 LYS 64 lone 4 76 - 5 - HG2 ARG 27 - HE3 LYS 64 lone 4 76 - 5 - Peak 2891 from cnoeabs.peaks (0.58, 2.74, 41.78 ppm; 3.70 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 64 + HE2 LYS 64 OK 98 100 - 98 - 3.8=93, 1.8/2892=10...(25) HG2 LYS 64 + HE3 LYS 64 OK 97 100 - 97 - 3.8=93, 1.8/2892=10...(23) Peak 2892 from cnoeabs.peaks (0.70, 2.74, 41.78 ppm; 3.74 A): 4 out of 8 assignments used, quality = 1.00: * HG3 LYS 64 + HE2 LYS 64 OK 99 100 - 99 - 3.8=97, 1.8/2891=19...(25) HG3 LYS 64 + HE3 LYS 64 OK 99 100 - 99 - 3.8=97, 1.8/2891=19...(23) QD2 LEU 76 + HE2 LYS 64 OK 48 97 - 49 - 2872/3.0=9, 2882/3.0=9...(19) QD2 LEU 76 + HE3 LYS 64 OK 47 97 - 49 - 2872/3.0=9, 2882/3.0=9...(18) QG1 VAL 50 - HE3 LYS 64 OK 22 98 - 22 - 2882/3.0=5, 2872/3.0=4...(7) QG1 VAL 50 - HE2 LYS 64 OK 22 98 - 22 - 2882/3.0=5, 2872/3.0=4...(7) QG2 VAL 20 - HE3 LYS 64 poor 10 73 - 13 - 2872/3.0=2, 2882/3.0=2...(7) QG2 VAL 20 - HE2 LYS 64 poor 10 73 - 13 - 2872/3.0=2, 2882/3.0=2...(7) Peak 2893 from cnoeabs.peaks (1.46, 2.74, 41.78 ppm; 3.23 A): 4 out of 16 assignments used, quality = 1.00: * HD2 LYS 64 + HE2 LYS 64 OK 100 100 - 100 - 3.0=100 HD2 LYS 64 + HE3 LYS 64 OK 100 100 - 100 - 3.0=100 HB3 LYS 64 + HE2 LYS 64 OK 66 92 - 72 - 4.9=28, 3.0/2891=11...(23) HB3 LYS 64 + HE3 LYS 64 OK 65 92 - 71 - 4.9=28, 3.0/2891=11...(22) HB3 LEU 76 - HE2 LYS 64 OK 34 99 - 34 - 3235/3.8=4, 2883/3.0=4...(17) HB3 LEU 76 - HE3 LYS 64 OK 34 99 - 34 - 3235/3.8=4, 2883/3.0=4...(17) HB3 ARG 45 - HE2 LYS 64 OK 26 100 - 26 - 2841/3.8=3, ~6016=3...(13) HB3 ARG 45 - HE3 LYS 64 OK 25 100 - 25 - 2841/3.8=3, ~6016=3...(12) HG LEU 12 - HE2 LYS 64 OK 13 99 - 13 - 2853/3.8=1, 2883/3.0=1...(4) HG LEU 12 - HE3 LYS 64 OK 12 99 - 12 - 2853/3.8=1, 2883/3.0=1...(4) HG3 LYS 78 - HE3 LYS 64 lone 10 100 - 10 - 2883/3.0=1, 2863/3.8=1 HG3 LYS 78 - HE2 LYS 64 lone 10 100 - 10 - 2883/3.0=1, 2863/3.8=1 HG2 LYS 65 - HE2 LYS 64 lone 7 97 - 7 - 2863/3.8=1 HG2 LYS 65 - HE3 LYS 64 lone 7 97 - 7 - 2863/3.8=1 HG LEU 79 - HE2 LYS 64 lone 3 83 - 3 - HG LEU 79 - HE3 LYS 64 lone 3 83 - 3 - Peak 2894 from cnoeabs.peaks (1.52, 2.74, 41.78 ppm; 3.36 A): 2 out of 30 assignments used, quality = 1.00: * HD3 LYS 64 + HE2 LYS 64 OK 100 100 - 100 - 3.0=100 HD3 LYS 64 + HE3 LYS 64 OK 100 100 - 100 - 3.0=100 HG LEU 34 - HE2 LYS 64 OK 44 98 - 45 - 2.1/4671=8, 2.1/4669=8...(13) HG LEU 34 - HE3 LYS 64 OK 44 98 - 45 - 2.1/4671=8, 2.1/4669=8...(13) HB3 LYS 44 - HE2 LYS 64 OK 30 89 - 34 - 2275/1.8=3, 2874/3.0=2...(20) HB2 ARG 45 - HE2 LYS 64 OK 28 92 - 31 - 6016/3.0=5, 6016/4.9=2...(16) HB2 ARG 45 - HE3 LYS 64 OK 27 92 - 29 - 6016/3.0=5, 6016/4.9=2...(16) HB3 LYS 44 - HE3 LYS 64 OK 25 88 - 29 - 2874/3.0=2, 2.9/2889=2...(16) HD2 LYS 56 - HE2 LYS 64 OK 20 99 - 21 - 3.0/6091=2, 2874/3.0=2...(6) HD2 LYS 56 - HE3 LYS 64 OK 20 99 - 20 - 3.0/6091=2, 2874/3.0=2...(6) HB2 LYS 56 - HE2 LYS 64 OK 18 76 - 23 - 2.9/6091=2, 2874/3.0=2...(11) HB2 LYS 56 - HE3 LYS 64 OK 17 76 - 22 - 2.9/6091=2, 2874/3.0=2...(11) QB ALA 71 - HE3 LYS 64 OK 10 100 - 10 - 5662/3.8=4, 2874/3.0=1 QB ALA 71 - HE2 LYS 64 OK 10 100 - 10 - 5662/3.8=4, 2874/3.0=1 HD3 LYS 17 - HE2 LYS 64 lone 8 92 - 8 - 3.0/4671=1 HD2 LYS 17 - HE2 LYS 64 lone 8 92 - 8 - 3.0/4671=1 HD3 LYS 17 - HE3 LYS 64 lone 8 92 - 8 - 3.0/4671=1 HD2 LYS 17 - HE3 LYS 64 lone 8 92 - 8 - 3.0/4671=1 HB3 LYS 26 - HE2 LYS 64 lone 7 99 - 7 - HB3 LYS 26 - HE3 LYS 64 lone 7 99 - 7 - HG3 ARG 27 - HE2 LYS 64 lone 6 99 - 6 - HG3 ARG 27 - HE3 LYS 64 lone 6 99 - 6 - HG2 GLU 37 - HE2 LYS 64 lone 3 78 - 4 - HG2 GLU 37 - HE3 LYS 64 lone 3 78 - 4 - HB2 LEU 85 - HE3 LYS 64 lone 3 96 - 3 - HB2 LEU 85 - HE2 LYS 64 lone 3 97 - 3 - HB3 LEU 87 - HE3 LYS 64 lone 2 99 - 2 - HB3 LEU 87 - HE2 LYS 64 lone 2 99 - 2 - HG LEU 30 - HE3 LYS 64 lone 2 90 - 2 - HG LEU 30 - HE2 LYS 64 lone 2 90 - 2 - Peak 2895 from cnoeabs.peaks (2.74, 2.74, 41.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 64 + HE2 LYS 64 OK 100 100 - 100 HE3 LYS 64 + HE3 LYS 64 OK 100 100 - 100 Peak 2896 from cnoeabs.peaks (2.74, 2.74, 41.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 64 + HE3 LYS 64 OK 100 100 - 100 HE2 LYS 64 + HE2 LYS 64 OK 100 100 - 100 Reference assignment not found: HE3 LYS 64 - HE2 LYS 64 Peak 2899 from cnoeabs.peaks (1.36, 2.74, 41.78 ppm; 3.84 A): 4 out of 33 assignments used, quality = 1.00: HB2 LYS 64 + HE2 LYS 64 OK 88 100 - 88 - 4.9=47, 3.0/2891=15...(25) * HB2 LYS 64 + HE3 LYS 64 OK 88 100 - 88 - 4.9=47, 3.0/2891=15...(24) HG2 LYS 44 + HE3 LYS 44 OK 57 57 - 100 - 3.5=100 HG2 LYS 44 + HE2 LYS 64 OK 50 99 - 51 - 2879/3.0=6, 2869/3.0=5...(22) HG2 LYS 44 - HE3 LYS 64 OK 44 99 - 45 - 2879/3.0=6, 2869/3.0=5...(19) QB ALA 67 - HE3 LYS 64 OK 29 98 - 29 - 4172/6.7=9, 2879/3.0=4...(8) QB ALA 67 - HE2 LYS 64 OK 28 98 - 29 - 4172/6.7=9, 2879/3.0=4...(8) HB3 LYS 56 - HE3 LYS 44 OK 27 49 - 56 - 2320/1.8=7, 2300/3.0=7...(28) HB3 LYS 56 - HE3 LYS 64 OK 26 90 - 29 - 2879/3.0=3, 2869/3.0=3...(12) HB3 LYS 56 - HE2 LYS 64 OK 26 90 - 29 - 2879/3.0=3, 2869/3.0=3...(12) HB2 LYS 64 - HE3 LYS 44 OK 24 60 - 41 - 2300/3.0=5, 2320/1.8=5...(18) HB3 LEU 12 - HE3 LYS 64 OK 20 93 - 21 - 2869/3.0=3, 2879/3.0=3...(6) HB3 LEU 12 - HE2 LYS 64 OK 19 93 - 21 - 2869/3.0=3, 2879/3.0=3...(6) HG2 LYS 68 - HE3 LYS 64 OK 17 99 - 17 - 2879/3.0=2, 2859/3.8=2...(8) HG2 LYS 68 - HE2 LYS 64 OK 16 99 - 17 - 2879/3.0=2, 2859/3.8=2...(8) HG2 LYS 68 - HE3 LYS 44 OK 14 58 - 24 - 3056/3.0=4, 2320/1.8=3...(8) QB ALA 67 - HE3 LYS 44 poor 6 56 - 10 - 4172/2826=1 HG2 LYS 91 - HE3 LYS 44 poor 6 54 - 10 - 4.6/431=1, 2300/3.0=1 HG3 LYS 91 - HE3 LYS 44 poor 6 54 - 10 - 4.6/431=1, 2300/3.0=1 HG2 LYS 91 - HE3 LYS 64 lone 6 97 - 6 - HG3 LYS 91 - HE3 LYS 64 lone 6 97 - 6 - HG2 LYS 91 - HE2 LYS 64 lone 5 96 - 5 - HG3 LYS 91 - HE2 LYS 64 lone 5 96 - 5 - HB3 LEU 12 - HE3 LYS 44 lone 5 51 - 9 - 4261/6.3=1, 2300/3.0=1 QB ALA 69 - HE3 LYS 64 lone 4 76 - 6 - QB ALA 69 - HE2 LYS 64 lone 4 76 - 5 - QB ALA 89 - HE3 LYS 44 lone 3 58 - 5 - 3.6/938=2 QB ALA 89 - HE3 LYS 64 lone 3 99 - 3 - QB ALA 89 - HE2 LYS 64 lone 3 99 - 3 - QB ALA 69 - HE3 LYS 44 lone 2 38 - 6 - ~321=1 QB ALA 86 - HE3 LYS 64 lone 2 81 - 3 - QB ALA 86 - HE2 LYS 64 lone 2 80 - 3 - QB ALA 86 - HE3 LYS 44 lone 1 42 - 1 - Peak 2900 from cnoeabs.peaks (1.44, 2.74, 41.78 ppm; 3.23 A): 4 out of 30 assignments used, quality = 1.00: HD2 LYS 64 + HE3 LYS 64 OK 92 92 - 100 - 3.0=100 HD2 LYS 64 + HE2 LYS 64 OK 92 92 - 100 - 3.0=100 HB3 LYS 64 + HE2 LYS 64 OK 72 100 - 72 - 4.9=28, 3.0/2891=11...(22) * HB3 LYS 64 + HE3 LYS 64 OK 71 100 - 71 - 4.9=28, 3.0/2891=11...(21) HD2 LYS 44 - HE3 LYS 44 OK 43 43 - 100 - 3.0=100 HB3 LEU 34 - HE2 LYS 64 OK 29 85 - 35 - 3.1/4671=6, 3.1/4669=6...(12) HB3 LEU 34 - HE3 LYS 64 OK 29 85 - 35 - 3.1/4671=6, 3.1/4669=6...(12) HD2 LYS 44 - HE2 LYS 64 OK 29 83 - 35 - 2305/1.8=4, ~2315=3...(21) HD2 LYS 44 - HE3 LYS 64 OK 26 83 - 31 - 2305=3, 2299/3.0=2...(17) HB3 LEU 76 - HE2 LYS 64 OK 25 78 - 32 - 2883/3.0=3, 3235/3.8=3...(17) HB3 LEU 76 - HE3 LYS 64 OK 25 78 - 32 - 2883/3.0=3, 3235/3.8=3...(17) HB3 ARG 45 - HE2 LYS 64 OK 25 94 - 26 - 2841/3.8=3, ~6016=3...(14) HB3 ARG 45 - HE3 LYS 64 OK 23 95 - 25 - 2841/3.8=3, ~6016=3...(13) HB3 LYS 64 - HE3 LYS 44 OK 17 60 - 29 - 2839/3.5=3, ~2320=2...(16) HB3 ARG 45 - HE3 LYS 44 OK 16 52 - 31 - 6017/3.5=4, ~2321=3...(15) HD2 LYS 64 - HE3 LYS 44 OK 15 50 - 31 - 2876=3, 1.8/2886=3...(17) HB3 LEU 34 - HE3 LYS 44 OK 11 45 - 24 - 3.1/4669=4, 3.1/4671=3...(11) HG LEU 12 - HE2 LYS 64 poor 9 76 - 12 - 2853/3.8=1, 2883/3.0=1...(4) HG LEU 12 - HE3 LYS 64 poor 9 76 - 11 - 2853/3.8=1, 2883/3.0=1...(4) HG3 LYS 78 - HE3 LYS 64 lone 8 90 - 9 - 2883/3.0=1 HG3 LYS 78 - HE2 LYS 64 lone 8 90 - 9 - 2883/3.0=1 HG2 LYS 65 - HE2 LYS 64 lone 7 100 - 7 - HG2 LYS 65 - HE3 LYS 44 poor 7 59 - 11 - 2942/3.0=1 HG2 LYS 65 - HE3 LYS 64 lone 7 100 - 7 - HG2 ARG 27 - HE3 LYS 44 poor 6 38 - 15 - 2322/1.8=2, ~1794=1...(4) HG2 ARG 27 - HE2 LYS 64 lone 4 76 - 5 - HG2 ARG 27 - HE3 LYS 64 lone 4 76 - 5 - HG LEU 12 - HE3 LYS 44 lone 1 38 - 3 - HB3 LEU 76 - HE3 LYS 44 lone 1 40 - 3 - HG3 LYS 78 - HE3 LYS 44 lone 0 49 - 1 - Peak 2901 from cnoeabs.peaks (0.58, 2.74, 41.78 ppm; 3.70 A): 2 out of 3 assignments used, quality = 1.00: HG2 LYS 64 + HE2 LYS 64 OK 97 100 - 98 - 3.8=93, 1.8/2892=10...(25) * HG2 LYS 64 + HE3 LYS 64 OK 97 100 - 97 - 3.8=93, 1.8/2892=10...(23) HG2 LYS 64 - HE3 LYS 44 OK 24 60 - 40 - 2856=4, 1.8/2866=4...(20) Peak 2902 from cnoeabs.peaks (0.70, 2.74, 41.78 ppm; 3.74 A): 4 out of 12 assignments used, quality = 1.00: HG3 LYS 64 + HE2 LYS 64 OK 99 100 - 99 - 3.8=97, 1.8/2891=19...(25) * HG3 LYS 64 + HE3 LYS 64 OK 99 100 - 99 - 3.8=97, 1.8/2891=19...(23) QD2 LEU 76 + HE2 LYS 64 OK 48 97 - 49 - 2872/3.0=9, 2882/3.0=9...(19) QD2 LEU 76 + HE3 LYS 64 OK 47 97 - 49 - 2872/3.0=9, 2882/3.0=9...(18) HG3 LYS 64 - HE3 LYS 44 OK 24 60 - 41 - 2866=5, 1.8/2901=4...(21) QG1 VAL 50 - HE3 LYS 64 OK 22 98 - 22 - 2882/3.0=5, 2872/3.0=4...(8) QG1 VAL 50 - HE2 LYS 64 OK 22 98 - 22 - 2882/3.0=5, 2872/3.0=4...(7) QG2 VAL 20 - HE3 LYS 64 poor 10 73 - 13 - 2872/3.0=2, 2882/3.0=2...(7) QG2 VAL 20 - HE2 LYS 64 poor 10 73 - 13 - 2872/3.0=2, 2882/3.0=2...(7) QD2 LEU 76 - HE3 LYS 44 lone 4 55 - 7 - QG1 VAL 50 - HE3 LYS 44 lone 2 56 - 3 - QG2 VAL 20 - HE3 LYS 44 lone 1 37 - 4 - Peak 2903 from cnoeabs.peaks (1.46, 2.74, 41.78 ppm; 3.23 A): 4 out of 24 assignments used, quality = 1.00: * HD2 LYS 64 + HE3 LYS 64 OK 100 100 - 100 - 3.0=100 HD2 LYS 64 + HE2 LYS 64 OK 100 100 - 100 - 3.0=100 HB3 LYS 64 + HE2 LYS 64 OK 66 92 - 72 - 4.9=28, 3.0/2891=11...(23) HB3 LYS 64 + HE3 LYS 64 OK 65 92 - 71 - 4.9=28, 3.0/2891=11...(22) HB3 LEU 76 - HE2 LYS 64 OK 34 99 - 34 - 3235/3.8=4, 2883/3.0=4...(17) HB3 LEU 76 - HE3 LYS 64 OK 34 99 - 34 - 3235/3.8=4, 2883/3.0=4...(17) HB3 ARG 45 - HE2 LYS 64 OK 26 100 - 26 - 2841/3.8=3, ~6016=3...(13) HB3 ARG 45 - HE3 LYS 64 OK 25 100 - 25 - 2841/3.8=3, ~6016=3...(12) HD2 LYS 64 - HE3 LYS 44 OK 19 60 - 32 - 2876=4, 2869/3.5=3...(18) HB3 ARG 45 - HE3 LYS 44 OK 19 60 - 31 - 6017/3.5=5, ~2321=3...(15) HB3 LYS 64 - HE3 LYS 44 OK 13 50 - 26 - 2839/3.5=3, ~2320=2...(14) HG LEU 12 - HE2 LYS 64 OK 13 99 - 13 - 2853/3.8=1, 2883/3.0=1...(4) HG LEU 12 - HE3 LYS 64 OK 12 99 - 12 - 2853/3.8=1, 2883/3.0=1...(4) HG3 LYS 78 - HE3 LYS 64 lone 10 100 - 10 - 2883/3.0=1, 2863/3.8=1 HG3 LYS 78 - HE2 LYS 64 lone 10 100 - 10 - 2883/3.0=1, 2863/3.8=1 HG2 LYS 65 - HE2 LYS 64 lone 7 97 - 7 - 2863/3.8=1 HG2 LYS 65 - HE3 LYS 64 lone 7 97 - 7 - 2863/3.8=1 HG2 LYS 65 - HE3 LYS 44 lone 5 55 - 9 - 2942/3.0=1 HG LEU 79 - HE3 LYS 64 lone 3 83 - 3 - HG LEU 79 - HE2 LYS 64 lone 3 83 - 3 - HG LEU 12 - HE3 LYS 44 lone 2 57 - 4 - HB3 LEU 76 - HE3 LYS 44 lone 2 58 - 3 - HG3 LYS 78 - HE3 LYS 44 lone 0 60 - 1 - HG LEU 79 - HE3 LYS 44 lone 0 43 - 1 - Peak 2904 from cnoeabs.peaks (1.52, 2.74, 41.78 ppm; 3.36 A): 2 out of 45 assignments used, quality = 1.00: * HD3 LYS 64 + HE3 LYS 64 OK 100 100 - 100 - 3.0=100 HD3 LYS 64 + HE2 LYS 64 OK 100 100 - 100 - 3.0=100 HG LEU 34 - HE2 LYS 64 OK 44 98 - 45 - 2.1/4671=8, 2.1/4669=8...(13) HG LEU 34 - HE3 LYS 64 OK 44 98 - 45 - 2.1/4671=9, 2.1/4669=8...(13) HB3 LYS 44 - HE3 LYS 44 OK 31 47 - 65 - 4.8=34, 2274/1.8=10...(14) HB3 LYS 44 - HE2 LYS 64 OK 30 88 - 34 - 2275/1.8=3, 2874/3.0=2...(20) HB2 ARG 45 - HE2 LYS 64 OK 28 92 - 31 - 6016/3.0=5, 6016/4.9=2...(16) HB2 ARG 45 - HE3 LYS 64 OK 27 92 - 30 - 6016/3.0=5, 6016/4.9=2...(16) HB3 LYS 44 - HE3 LYS 64 OK 26 89 - 30 - 2874/3.0=2, 3.7/2305=2...(18) HD2 LYS 56 - HE3 LYS 44 OK 23 57 - 41 - 2299/3.0=4, 2319/1.8=4...(21) HD3 LYS 64 - HE3 LYS 44 OK 21 60 - 36 - 2886=5, 2879/3.5=4...(18) HD2 LYS 56 - HE2 LYS 64 OK 20 99 - 21 - 3.0/6091=2, 2874/3.0=2...(6) HD2 LYS 56 - HE3 LYS 64 OK 20 99 - 21 - 3.0/6091=2, 2874/3.0=2...(6) HB2 LYS 56 - HE2 LYS 64 OK 18 76 - 23 - 2.9/6091=2, 2874/3.0=2...(11) HB2 LYS 56 - HE3 LYS 64 OK 17 76 - 23 - 2.9/6091=2, 2874/3.0=2...(11) HB2 ARG 45 - HE3 LYS 44 OK 16 50 - 33 - 6015/3.5=6, ~2321=4...(17) HB2 LYS 56 - HE3 LYS 44 OK 15 38 - 39 - ~2320=4, 2624/3.0=3...(20) HG LEU 34 - HE3 LYS 44 OK 15 56 - 26 - 2.1/4669=6, 2.1/4671=4...(9) HB3 LYS 26 - HE3 LYS 44 OK 15 58 - 25 - 1690/3.0=3, ~2323=2...(12) QB ALA 71 - HE3 LYS 64 OK 10 100 - 10 - 5662/3.8=4, 2874/3.0=1 QB ALA 71 - HE2 LYS 64 OK 10 100 - 10 - 5662/3.8=4, 2874/3.0=1 HG3 ARG 27 - HE3 LYS 44 poor 9 58 - 15 - 1794/3.0=3, ~2322=2...(4) HD3 LYS 17 - HE3 LYS 64 lone 8 92 - 9 - 3.0/4671=1 HD2 LYS 17 - HE3 LYS 64 lone 8 92 - 9 - 3.0/4671=1 HD3 LYS 17 - HE2 LYS 64 lone 8 92 - 9 - 3.0/4671=1 HD2 LYS 17 - HE2 LYS 64 lone 8 92 - 9 - 3.0/4671=1 HB3 LYS 26 - HE2 LYS 64 lone 7 99 - 7 - HB3 LYS 26 - HE3 LYS 64 lone 7 99 - 7 - HG3 ARG 27 - HE2 LYS 64 lone 6 99 - 6 - HG3 ARG 27 - HE3 LYS 64 lone 6 99 - 6 - HG2 GLU 37 - HE3 LYS 64 lone 3 78 - 4 - HG2 GLU 37 - HE2 LYS 64 lone 3 78 - 4 - HB2 LEU 85 - HE3 LYS 64 lone 3 97 - 3 - HB2 LEU 85 - HE2 LYS 64 lone 3 96 - 3 - HB3 LEU 87 - HE3 LYS 64 lone 2 99 - 2 - HB3 LEU 87 - HE2 LYS 64 lone 2 99 - 2 - HG LEU 30 - HE3 LYS 64 lone 2 90 - 2 - HG LEU 30 - HE2 LYS 64 lone 2 90 - 2 - QB ALA 71 - HE3 LYS 44 lone 2 59 - 3 - HG2 GLU 37 - HE3 LYS 44 lone 2 40 - 5 - HD3 LYS 17 - HE3 LYS 44 lone 2 50 - 4 - HD2 LYS 17 - HE3 LYS 44 lone 2 50 - 4 - HG LEU 30 - HE3 LYS 44 lone 1 49 - 3 - HB3 LEU 87 - HE3 LYS 44 lone 1 57 - 2 - HB2 LEU 85 - HE3 LYS 44 lone 1 54 - 1 - Peak 2905 from cnoeabs.peaks (2.74, 2.74, 41.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 64 + HE3 LYS 64 OK 100 100 - 100 HE2 LYS 64 + HE2 LYS 64 OK 100 100 - 100 Reference assignment not found: HE2 LYS 64 - HE3 LYS 64 Peak 2906 from cnoeabs.peaks (2.74, 2.74, 41.78 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 64 + HE3 LYS 64 OK 100 100 - 100 HE2 LYS 64 + HE2 LYS 64 OK 100 100 - 100 HE3 LYS 44 - HE3 LYS 44 OK 29 29 - 100 Peak 2907 from cnoeabs.peaks (7.85, 3.74, 59.94 ppm; 3.29 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 65 + HA LYS 65 OK 100 100 - 100 - 2.9=100 H LEU 12 - HA LYS 65 OK 32 97 - 33 - 2917/3.0=5, 2937/3.7=5...(12) H PHE 80 - HA LYS 65 OK 18 87 - 21 - 2917/3.0=3, 2927/3.0=3...(6) HD21 ASN 24 - HA LYS 65 poor 7 71 - 10 - 2917/3.0=1, 2927/3.0=1 Peak 2908 from cnoeabs.peaks (3.74, 3.74, 59.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 65 + HA LYS 65 OK 100 100 - 100 Peak 2909 from cnoeabs.peaks (1.79, 3.74, 59.94 ppm; 3.13 A): 1 out of 17 assignments used, quality = 1.00: * HB2 LYS 65 + HA LYS 65 OK 100 100 - 100 - 3.0=100 HB2 MET 48 - HA LYS 65 OK 27 99 - 28 - 4.0/4887=5, 1.8/2910=4...(11) HG LEU 76 - HA LYS 65 OK 24 83 - 30 - 2.1/5455=3, 813/2.9=3...(12) HD3 LYS 78 - HA LYS 65 OK 16 100 - 16 - 2939/3.7=2, 2.9/2911=2...(4) HB2 LYS 44 - HA LYS 65 OK 11 65 - 16 - 3.0/4795=3, 4.0/4793=2...(5) HG3 GLU 37 - HA LYS 65 lone 9 100 - 9 - 3.0/2918=1, 4.9/170=1, 302/3.6=1 QE MET 11 - HA LYS 65 lone 8 85 - 10 - 302/3.6=2, 4245/3.7=2, 813/2.9=1 HB2 ARG 27 - HA LYS 65 lone 8 96 - 8 - 302/3.6=1 HB2 GLU 37 - HA LYS 65 poor 6 63 - 10 - 2918=2, 4.1/170=2 QB ALA 74 - HA LYS 65 lone 6 96 - 6 - 5732/3.6=2 HG2 GLU 51 - HA LYS 65 lone 4 83 - 5 - HG3 GLU 51 - HA LYS 65 lone 4 81 - 5 - HB2 LYS 31 - HA LYS 65 lone 4 100 - 4 - HB3 GLU 33 - HA LYS 65 lone 4 65 - 6 - HB2 LYS 91 - HA LYS 65 lone 3 100 - 3 - HB2 ARG 28 - HA LYS 65 lone 3 100 - 3 - HB3 ARG 28 - HA LYS 65 lone 2 81 - 2 - Peak 2910 from cnoeabs.peaks (1.74, 3.74, 59.94 ppm; 3.10 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 65 + HA LYS 65 OK 100 100 - 100 - 3.0=100 HB2 LYS 17 - HA LYS 65 OK 26 93 - 28 - 2920/3.0=3, 2.9/2912=3...(10) HB3 LYS 17 - HA LYS 65 OK 25 92 - 28 - 2920/3.0=3, 2.9/2912=3...(10) HB3 MET 48 - HA LYS 65 OK 25 90 - 28 - 4.0/4887=5, 1.8/2909=4...(13) HB3 GLN 55 - HA LYS 65 OK 23 93 - 25 - 2928=6, 814/2.9=3...(8) HB2 LEU 73 - HA LYS 65 lone 7 87 - 8 - 3.1/5456=1, 303/3.6=1 Peak 2911 from cnoeabs.peaks (1.45, 3.74, 59.94 ppm; 3.59 A): 1 out of 10 assignments used, quality = 0.97: * HG2 LYS 65 + HA LYS 65 OK 97 100 - 97 - 3.7=90, 1.8/2912=14...(20) HG LEU 12 - HA LYS 65 OK 34 87 - 39 - 2.1/5456=5, 296/2.9=4...(18) HB3 LEU 76 - HA LYS 65 OK 34 89 - 38 - 3.1/5455=4, 1.8/5457=4...(16) HB3 LYS 64 - HA LYS 65 OK 32 100 - 32 - 4024/2.9=10, ~292=4...(10) HG3 LYS 78 - HA LYS 65 OK 20 97 - 21 - 2921/3.0=3, 2931/3.0=2...(8) HD2 LYS 64 - HA LYS 65 OK 18 97 - 18 - 5.0/5428=3, 296/2.9=3...(7) HD2 LYS 44 - HA LYS 65 OK 17 71 - 25 - 1.8/4178=4, 5.8/4793=2...(9) HB3 LEU 34 - HA LYS 65 lone 6 73 - 8 - ~5453=2, 293/2.9=1 HB3 ARG 45 - HA LYS 65 lone 6 99 - 5 - 4024/2.9=1 HG2 ARG 27 - HA LYS 65 lone 5 63 - 8 - 2.9/2909=1 Peak 2912 from cnoeabs.peaks (1.26, 3.74, 59.94 ppm; 3.25 A): 3 out of 8 assignments used, quality = 0.94: * HG3 LYS 65 + HA LYS 65 OK 87 100 - 87 - 3.7=67, 1.8/2911=11...(22) HB3 LYS 68 + HA LYS 65 OK 35 60 - 58 - 1.8/4177=13, 4.0/4175=11...(21) HG3 LYS 17 + HA LYS 65 OK 31 99 - 31 - 2.9/2910=3, 2922/3.0=3...(12) HB2 LEU 79 - HA LYS 65 OK 24 96 - 25 - 3.1/5456=3, 816/2.9=3...(12) HG2 LYS 17 - HA LYS 65 OK 20 71 - 29 - 2.9/2910=3, 2.9/2910=3...(12) HG3 LYS 56 - HA LYS 65 OK 20 90 - 22 - 2948=5, ~5453=3...(7) HB3 LEU 23 - HA LYS 65 OK 17 100 - 17 - 3.1/5456=2, 4477/3.0=2...(7) HD3 LYS 44 - HA LYS 65 OK 13 65 - 19 - 1.8/6166=3, 4.8/4795=2...(5) Peak 2913 from cnoeabs.peaks (1.58, 3.74, 59.94 ppm; 3.54 A): 3 out of 9 assignments used, quality = 0.99: * HD2 LYS 65 + HA LYS 65 OK 86 100 - 86 - 4.6=45, 2.8/2912=11...(37) HD3 LYS 65 + HA LYS 65 OK 86 100 - 86 - 4.6=45, 2.8/2912=11...(37) HB2 LYS 68 + HA LYS 65 OK 47 71 - 66 - 4.0/4175=13, 4177=13...(22) HD3 LYS 14 - HA LYS 65 OK 43 100 - 44 - 2923/3.0=4, 2933/3.0=3...(22) HD2 LYS 14 - HA LYS 65 OK 43 99 - 44 - 2923/3.0=4, 2933/3.0=3...(22) HB2 LEU 12 - HA LYS 65 OK 32 81 - 40 - 3.1/5456=4, 4.0/2907=4...(20) HB3 LEU 85 - HA LYS 65 lone 6 95 - 6 - 4.3/4031=1 HB2 LEU 87 - HA LYS 65 lone 5 81 - 6 - 4.2/4031=2 HG LEU 85 - HA LYS 65 lone 3 65 - 4 - Peak 2914 from cnoeabs.peaks (1.58, 3.74, 59.94 ppm; 3.54 A): 3 out of 10 assignments used, quality = 0.99: * HD3 LYS 65 + HA LYS 65 OK 86 100 - 86 - 4.6=45, 2.8/2912=11...(37) HD2 LYS 65 + HA LYS 65 OK 86 100 - 86 - 4.6=45, 2.8/2912=11...(37) HB2 LYS 68 + HA LYS 65 OK 52 78 - 67 - 4177=15, 4.0/4175=13...(22) HD3 LYS 14 - HA LYS 65 OK 43 100 - 44 - 2923/3.0=4, 2933/3.0=3...(22) HD2 LYS 14 - HA LYS 65 OK 43 100 - 44 - 2923/3.0=4, 2933/3.0=3...(22) HB2 LEU 12 - HA LYS 65 OK 35 87 - 41 - 1166/2.9=5, 3.1/5456=4...(20) HB3 LEU 85 - HA LYS 65 lone 6 97 - 6 - 4.3/4031=1 HB2 LEU 87 - HA LYS 65 lone 6 87 - 7 - 4.2/4031=2 HG LEU 87 - HA LYS 65 lone 3 60 - 6 - 4.9/4031=2 HG LEU 85 - HA LYS 65 lone 3 73 - 4 - Peak 2915 from cnoeabs.peaks (2.88, 3.74, 59.94 ppm; 4.90 A): 2 out of 11 assignments used, quality = 1.00: * HE2 LYS 65 + HA LYS 65 OK 94 100 - 94 - 5.8=60, 3.8/2912=14...(28) HE3 LYS 65 + HA LYS 65 OK 94 100 - 94 - 5.8=60, 3.8/2912=14...(28) HB3 ASN 63 - HA LYS 65 OK 38 85 - 45 - 5410/2.9=10, ~5411=8...(11) HE3 LYS 14 - HA LYS 65 OK 31 60 - 52 - 3.0/2913=5, 3.0/2913=5...(26) HE3 LYS 17 - HA LYS 65 OK 28 71 - 40 - 3.9/2912=5, 5.0/2910=4...(20) HB3 PHE 80 - HA LYS 65 OK 20 60 - 33 - ~4713=5, 4.0/2907=4...(13) HB3 ASN 24 - HA LYS 65 OK 14 73 - 18 - ~5452=2, 3.5/2907=2...(7) HB3 ASN 18 - HA LYS 65 poor 10 81 - 12 - HB3 TYR 32 - HA LYS 65 poor 10 71 - 14 - 4884/4887=2, 4618/3.0=1 HB2 ASN 18 - HA LYS 65 poor 10 78 - 12 - HB2 ASP 53 - HA LYS 65 lone 7 90 - 7 - Peak 2916 from cnoeabs.peaks (2.88, 3.74, 59.94 ppm; 4.90 A): 2 out of 13 assignments used, quality = 1.00: * HE3 LYS 65 + HA LYS 65 OK 94 100 - 94 - 5.8=60, 3.8/2912=14...(28) HE2 LYS 65 + HA LYS 65 OK 94 100 - 94 - 5.8=60, 3.8/2912=14...(28) HE3 LYS 14 - HA LYS 65 OK 37 71 - 52 - 3.0/2913=5, 3.0/2913=5...(26) HE2 LYS 14 - HA LYS 65 OK 36 63 - 57 - 3.0/2913=5, 3.0/2913=5...(34) HB3 ASN 63 - HA LYS 65 OK 33 76 - 44 - 5410/2.9=9, ~5411=8...(11) HB2 ASN 63 - HA LYS 65 OK 27 60 - 45 - ~5410=8, 4.0/4180=8...(14) HB3 PHE 80 - HA LYS 65 OK 24 71 - 33 - ~4713=5, 4.0/2907=4...(14) HE3 LYS 17 - HA LYS 65 OK 23 60 - 39 - 3.9/2912=5, 5.0/2910=4...(20) HB3 ASN 24 - HA LYS 65 OK 11 63 - 18 - ~5452=2, 3.5/2907=2...(7) HB3 ASN 18 - HA LYS 65 poor 8 71 - 12 - HB2 ASN 18 - HA LYS 65 poor 8 68 - 12 - HB2 ASP 53 - HA LYS 65 lone 7 96 - 8 - HB3 TYR 32 - HA LYS 65 poor 7 60 - 12 - 4884/4887=2, 4618/3.0=1 Peak 2917 from cnoeabs.peaks (7.85, 1.79, 31.71 ppm; 3.34 A): 3 out of 8 assignments used, quality = 0.93: * H LYS 65 + HB2 LYS 65 OK 87 100 - 87 - 3.8=66, 814/1.8=23...(19) H LEU 12 + HB2 LYS 65 OK 32 97 - 33 - 2927/1.8=6, 2937/3.0=6...(11) H PHE 80 + HB2 LYS 65 OK 21 87 - 24 - 2927/1.8=4, 2937/3.0=3...(9) HD21 ASN 24 - HB2 LYS 65 poor 7 71 - 10 - 2927/1.8=2, 2907/3.0=1 H LYS 65 - HB2 GLU 37 lone 5 60 - 8 - 2.9/2918=1, 813/3.0=1 H PHE 80 - HB2 GLU 37 lone 1 46 - 2 - H LEU 12 - HB2 GLU 37 lone 1 54 - 1 - HD21 ASN 24 - HB2 GLU 37 lone 0 35 - 1 - Peak 2918 from cnoeabs.peaks (3.74, 1.79, 31.71 ppm; 3.39 A): 1 out of 8 assignments used, quality = 1.00: * HA LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.0=100 HB2 SER 36 - HB2 LYS 65 OK 16 89 - 18 - 2928/1.8=4, 2938/3.0=3...(6) HA2 GLY 39 - HB2 LYS 65 poor 9 87 - 10 - 2928/1.8=2, 2938/3.0=2...(4) HB2 SER 36 - HB2 GLU 37 poor 8 47 - 16 - 170/4.1=12, ~4762=2, 4756/1.8=2 HA LYS 65 - HB2 GLU 37 poor 7 60 - 12 - 170/4.1=2, 2909=1...(4) HA2 GLY 40 - HB2 LYS 65 lone 2 57 - 3 - HA2 GLY 39 - HB2 GLU 37 lone 0 46 - 1 - HA2 GLY 40 - HB2 GLU 37 lone 0 27 - 1 - Peak 2919 from cnoeabs.peaks (1.79, 1.79, 31.71 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 65 + HB2 LYS 65 OK 100 100 - 100 HB2 GLU 37 - HB2 GLU 37 OK 31 31 - 100 Peak 2920 from cnoeabs.peaks (1.74, 1.79, 31.71 ppm; 2.40 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 1.8=100 HB2 LYS 17 - HB2 LYS 65 OK 22 93 - 24 - 2940/3.0=2, 2910/3.0=2...(9) HB3 LYS 17 - HB2 LYS 65 OK 22 92 - 24 - 2940/3.0=2, 2.9/2922=2...(9) HB3 MET 48 - HB2 LYS 65 OK 17 90 - 19 - 2425=3, 2910/3.0=2...(6) HB3 GLN 55 - HB2 LYS 65 OK 13 93 - 14 - 2928/3.0=2, ~2580=1...(4) HB3 MET 48 - HB2 GLU 37 poor 8 48 - 17 - 2425=2, 2425/3.0=1...(6) HB2 LEU 73 - HB2 LYS 65 lone 3 87 - 4 - HB3 LYS 65 - HB2 GLU 37 lone 3 60 - 4 - HB2 LYS 17 - HB2 GLU 37 lone 1 51 - 1 - HB3 LYS 17 - HB2 GLU 37 lone 1 50 - 1 - HB2 LEU 73 - HB2 GLU 37 lone 0 46 - 1 - HB3 GLN 55 - HB2 GLU 37 lone 0 51 - 1 - Peak 2921 from cnoeabs.peaks (1.45, 1.79, 31.71 ppm; 3.63 A): 1 out of 20 assignments used, quality = 1.00: * HG2 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.0=100 HB3 LEU 76 - HB2 LYS 65 OK 39 89 - 44 - 2931/1.8=4, 2911/3.0=4...(20) HG LEU 12 - HB2 LYS 65 OK 36 87 - 42 - 2931/1.8=4, 2911/3.0=4...(21) HG3 LYS 78 - HB2 LYS 65 OK 36 97 - 37 - 3334=4, 1.8/3324=3...(16) HB3 LYS 64 - HB2 LYS 65 OK 34 100 - 34 - 4.6/2917=10, ~5428=4...(8) HD2 LYS 44 - HB2 LYS 65 OK 18 71 - 26 - 6166/3.0=3, 2931/1.8=2...(6) HD2 LYS 64 - HB2 LYS 65 OK 18 97 - 18 - 296/3.8=2, 2911/3.0=2...(5) HB3 LEU 34 - HB2 GLU 37 OK 15 37 - 40 - ~6195=8, ~6196=7...(14) HG2 ARG 27 - HB2 LYS 65 poor 8 63 - 13 - HG3 LYS 78 - HB2 GLU 37 poor 7 54 - 13 - 3330/1.8=2, ~3320=1, 3334/3.0=1 HG2 LYS 65 - HB2 GLU 37 poor 7 60 - 11 - 3.7/2918=1, 2939=1 HB3 ARG 45 - HB2 LYS 65 lone 6 99 - 6 - 4024/3.8=1 HB3 LEU 34 - HB2 LYS 65 lone 5 73 - 7 - HB3 LEU 76 - HB2 GLU 37 lone 4 47 - 9 - HD2 LYS 44 - HB2 GLU 37 poor 4 35 - 12 - 4802/4.4=3 HG2 ARG 27 - HB2 GLU 37 poor 3 31 - 11 - 4783/4.4=2 HB3 ARG 45 - HB2 GLU 37 lone 3 57 - 6 - 4783/4.4=1, ~2168=1, ~2180=1 HB3 LYS 64 - HB2 GLU 37 lone 3 59 - 4 - HD2 LYS 64 - HB2 GLU 37 lone 2 55 - 4 - HG LEU 12 - HB2 GLU 37 lone 1 46 - 1 - Peak 2922 from cnoeabs.peaks (1.26, 1.79, 31.71 ppm; 3.53 A): 2 out of 16 assignments used, quality = 1.00: * HG3 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.0=100 HG3 LYS 17 + HB2 LYS 65 OK 48 99 - 49 - 2942/3.0=5, 2.9/2920=4...(21) HG2 LYS 17 - HB2 LYS 65 OK 33 71 - 47 - 2.9/2920=4, 2.9/2920=4...(19) HB3 LYS 68 - HB2 LYS 65 OK 30 60 - 49 - ~4177=8, 4179/3.0=6...(21) HB2 LEU 79 - HB2 LYS 65 OK 26 96 - 27 - 2912/3.0=3, 4097/3.8=3...(12) HB3 LEU 23 - HB2 LYS 65 OK 26 100 - 26 - 3.1/4479=2, 4477=2...(11) HG3 LYS 56 - HB2 LYS 65 OK 25 90 - 28 - 2948/3.0=4, 2942/3.0=3...(12) HD3 LYS 44 - HB2 LYS 65 OK 16 65 - 24 - ~6166=3, 1.8/2921=2...(8) HG3 LYS 65 - HB2 GLU 37 lone 6 60 - 10 - 3.7/2918=1 HG3 LYS 56 - HB2 GLU 37 poor 6 48 - 11 - ~4776=2, 1.8/5216=1 HG3 LYS 17 - HB2 GLU 37 lone 4 57 - 6 - ~6196=1 HB3 LEU 23 - HB2 GLU 37 lone 3 59 - 5 - HD3 LYS 44 - HB2 GLU 37 lone 3 32 - 9 - 4801/4.4=2 HB3 LYS 68 - HB2 GLU 37 lone 2 29 - 7 - ~4878=2 HB2 LEU 79 - HB2 GLU 37 lone 2 53 - 3 - HG2 LYS 17 - HB2 GLU 37 lone 1 35 - 4 - Peak 2923 from cnoeabs.peaks (1.58, 1.79, 31.71 ppm; 3.51 A): 4 out of 18 assignments used, quality = 1.00: * HD2 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.5=100 HD3 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.5=100 HD3 LYS 14 + HB2 LYS 65 OK 59 100 - 59 - 2933/1.8=5, 2943/3.0=4...(31) HD2 LYS 14 + HB2 LYS 65 OK 59 99 - 59 - 2933/1.8=5, 2943/3.0=4...(31) HB2 LYS 68 - HB2 LYS 65 OK 34 71 - 48 - 4177/3.0=9, ~4179=7...(19) HB2 LEU 12 - HB2 LYS 65 OK 29 81 - 36 - 4.0/2917=4, 1166/3.8=3...(16) HB3 LEU 85 - HB2 LYS 65 lone 7 95 - 7 - 4.3/4032=1 HB2 LEU 87 - HB2 LYS 65 lone 5 81 - 6 - 4.2/4032=2 HD2 LYS 65 - HB2 GLU 37 lone 5 60 - 9 - HD3 LYS 65 - HB2 GLU 37 lone 5 59 - 9 - HG LEU 85 - HB2 LYS 65 lone 3 65 - 4 - HB2 LYS 68 - HB2 GLU 37 lone 2 35 - 7 - ~4878=2 HB3 LEU 85 - HB2 GLU 37 lone 2 52 - 4 - HD3 LYS 14 - HB2 GLU 37 lone 1 59 - 2 - HD2 LYS 14 - HB2 GLU 37 lone 1 58 - 2 - HG LEU 85 - HB2 GLU 37 lone 1 32 - 3 - HB2 LEU 87 - HB2 GLU 37 lone 1 41 - 1 - HB2 LEU 12 - HB2 GLU 37 lone 0 41 - 1 - Peak 2924 from cnoeabs.peaks (1.58, 1.79, 31.71 ppm; 3.51 A): 4 out of 20 assignments used, quality = 1.00: * HD3 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.5=100 HD2 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.5=100 HD3 LYS 14 + HB2 LYS 65 OK 59 100 - 59 - 2933/1.8=5, 2943/3.0=4...(31) HD2 LYS 14 + HB2 LYS 65 OK 59 100 - 59 - 2933/1.8=5, 2943/3.0=4...(31) HB2 LYS 68 - HB2 LYS 65 OK 38 78 - 49 - 4177/3.0=10, ~4179=7...(19) HB2 LEU 12 - HB2 LYS 65 OK 31 87 - 36 - 4.0/2917=4, 1166/3.8=4...(16) HB3 LEU 85 - HB2 LYS 65 lone 7 97 - 7 - 4.3/4032=1 HB2 LEU 87 - HB2 LYS 65 lone 6 87 - 7 - 4.2/4032=2 HD3 LYS 65 - HB2 GLU 37 lone 5 60 - 9 - HD2 LYS 65 - HB2 GLU 37 lone 5 59 - 9 - HG LEU 85 - HB2 LYS 65 lone 3 73 - 5 - HG LEU 87 - HB2 LYS 65 lone 3 60 - 6 - 4.9/4032=1 HB2 LYS 68 - HB2 GLU 37 lone 3 40 - 7 - ~4878=2 HB3 LEU 85 - HB2 GLU 37 lone 2 55 - 4 - HD3 LYS 14 - HB2 GLU 37 lone 1 60 - 2 - HD2 LYS 14 - HB2 GLU 37 lone 1 59 - 2 - HG LEU 85 - HB2 GLU 37 lone 1 37 - 3 - HB2 LEU 87 - HB2 GLU 37 lone 1 46 - 1 - HB2 LEU 12 - HB2 GLU 37 lone 1 46 - 1 - HG LEU 87 - HB2 GLU 37 lone 0 29 - 1 - Peak 2925 from cnoeabs.peaks (2.88, 1.79, 31.71 ppm; 4.69 A): 2 out of 22 assignments used, quality = 1.00: * HE2 LYS 65 + HB2 LYS 65 OK 98 100 - 98 - 5.1=78, 2955/3.0=11...(49) HE3 LYS 65 + HB2 LYS 65 OK 98 100 - 98 - 5.1=78, 2955/3.0=11...(45) HE3 LYS 14 - HB2 LYS 65 OK 40 60 - 67 - 3.0/2923=6, 3.0/2923=6...(44) HE3 LYS 17 - HB2 LYS 65 OK 33 71 - 47 - 3.9/2922=5, 5.0/2920=4...(24) HB3 ASN 63 - HB2 LYS 65 OK 24 85 - 28 - 5410/3.8=8, 308/4.4=4...(8) HB3 PHE 80 - HB2 LYS 65 OK 18 60 - 29 - 4.0/2917=5, 2.5/4704=4...(11) HB3 ASN 24 - HB2 LYS 65 OK 11 73 - 14 - 3.5/2917=2, 819/3.8=1...(4) HB3 ASN 18 - HB2 LYS 65 poor 10 81 - 12 - HB2 ASN 18 - HB2 LYS 65 poor 9 78 - 12 - HB3 TYR 32 - HB2 LYS 65 poor 9 71 - 13 - 4618/1.8=2, 1.8/4613=1...(4) HB2 ASP 53 - HB2 LYS 65 lone 6 90 - 6 - HE2 LYS 65 - HB2 GLU 37 lone 5 60 - 9 - 5.8/2918=1 HE3 LYS 65 - HB2 GLU 37 lone 5 59 - 8 - 5.8/2918=1 HB3 TYR 32 - HB2 GLU 37 poor 4 35 - 12 - ~4907=2, ~4606=1 HE3 LYS 17 - HB2 GLU 37 lone 2 35 - 6 - HB3 ASN 63 - HB2 GLU 37 lone 2 44 - 4 - HB2 ASP 53 - HB2 GLU 37 lone 1 48 - 2 - HB3 PHE 80 - HB2 GLU 37 lone 1 29 - 4 - HB3 ASN 24 - HB2 GLU 37 lone 1 37 - 2 - HB3 ASN 18 - HB2 GLU 37 lone 1 41 - 2 - HE3 LYS 14 - HB2 GLU 37 lone 1 29 - 2 - HB2 ASN 18 - HB2 GLU 37 lone 1 40 - 2 - Peak 2926 from cnoeabs.peaks (2.88, 1.79, 31.71 ppm; 4.69 A): 4 out of 26 assignments used, quality = 1.00: HE2 LYS 65 + HB2 LYS 65 OK 98 100 - 98 - 5.1=78, 2955/3.0=11...(49) * HE3 LYS 65 + HB2 LYS 65 OK 98 100 - 98 - 5.1=78, 2955/3.0=11...(45) HE3 LYS 14 + HB2 LYS 65 OK 47 71 - 67 - 3.0/2923=6, 3.0/2923=6...(44) HE2 LYS 14 + HB2 LYS 65 OK 45 63 - 72 - 3.0/2923=6, 3.0/2923=6...(48) HE3 LYS 17 - HB2 LYS 65 OK 28 60 - 47 - 3.9/2922=5, 5.0/2920=4...(24) HB3 PHE 80 - HB2 LYS 65 OK 21 71 - 30 - 4.0/2917=5, 2.5/4704=4...(11) HB3 ASN 63 - HB2 LYS 65 OK 21 76 - 27 - 5410/3.8=7, 308/4.4=4...(8) HB2 ASN 63 - HB2 LYS 65 OK 16 60 - 27 - 5411/3.8=5, 4.4/4032=3...(11) HB3 ASN 24 - HB2 LYS 65 poor 9 63 - 14 - 3.5/2917=2, 819/3.8=1...(4) HB3 ASN 18 - HB2 LYS 65 poor 8 71 - 12 - HB2 ASN 18 - HB2 LYS 65 poor 8 68 - 12 - HB3 TYR 32 - HB2 LYS 65 poor 7 60 - 12 - 4618/1.8=1, 1.8/4613=1...(4) HB2 ASP 53 - HB2 LYS 65 lone 6 96 - 6 - HE3 LYS 65 - HB2 GLU 37 lone 5 60 - 8 - 5.8/2918=1 HE2 LYS 65 - HB2 GLU 37 lone 5 59 - 8 - 5.8/2918=1 HB3 TYR 32 - HB2 GLU 37 poor 3 29 - 11 - ~4907=2, ~4606=1 HE3 LYS 17 - HB2 GLU 37 lone 2 29 - 6 - HB3 ASN 63 - HB2 GLU 37 lone 1 38 - 4 - HB3 PHE 80 - HB2 GLU 37 lone 1 35 - 4 - HB2 ASP 53 - HB2 GLU 37 lone 1 53 - 2 - HB2 ASN 63 - HB2 GLU 37 lone 1 29 - 3 - HE3 LYS 14 - HB2 GLU 37 lone 1 35 - 2 - HE2 LYS 14 - HB2 GLU 37 lone 1 31 - 2 - HB3 ASN 24 - HB2 GLU 37 lone 1 31 - 2 - HB3 ASN 18 - HB2 GLU 37 lone 1 35 - 2 - HB2 ASN 18 - HB2 GLU 37 lone 1 34 - 2 - Peak 2927 from cnoeabs.peaks (7.85, 1.74, 31.71 ppm; 3.35 A): 4 out of 8 assignments used, quality = 0.94: * H LYS 65 + HB3 LYS 65 OK 87 100 - 87 - 3.8=66, 2917/1.8=20...(19) H LEU 12 + HB3 LYS 65 OK 33 97 - 34 - 2917/1.8=7, 2937/3.0=6...(12) H PHE 80 + HB3 LYS 65 OK 20 87 - 23 - 2917/1.8=5, 2937/3.0=3...(7) H LYS 65 + HB3 GLN 55 OK 17 91 - 19 - 814=5, 2.9/2928=4...(6) H PHE 80 - HB3 GLN 55 poor 8 74 - 11 - 379/4.6=2, 4.4/5189=2 HD21 ASN 24 - HB3 LYS 65 poor 7 71 - 10 - 2917/1.8=2, 2907/3.0=1 H LEU 12 - HB3 GLN 55 lone 3 85 - 4 - HD21 ASN 24 - HB3 GLN 55 lone 1 59 - 2 - Peak 2928 from cnoeabs.peaks (3.74, 1.74, 31.71 ppm; 3.41 A): 1 out of 8 assignments used, quality = 1.00: * HA LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.0=100 HA LYS 65 - HB3 GLN 55 OK 26 91 - 29 - 2910=6, 2.9/814=3...(14) HB2 SER 36 - HB3 LYS 65 OK 16 89 - 18 - 2918/1.8=4, 2938/3.0=3...(6) HA2 GLY 39 - HB3 LYS 65 poor 9 87 - 10 - 2918/1.8=2, 2938/3.0=2...(4) HB2 SER 36 - HB3 GLN 55 lone 2 76 - 2 - HA2 GLY 40 - HB3 LYS 65 lone 2 57 - 3 - HA2 GLY 39 - HB3 GLN 55 lone 1 74 - 1 - HA2 GLY 40 - HB3 GLN 55 lone 0 47 - 1 - Peak 2929 from cnoeabs.peaks (1.79, 1.74, 31.71 ppm; 2.40 A): 1 out of 34 assignments used, quality = 1.00: * HB2 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 1.8=100 HB2 MET 48 - HB3 LYS 65 OK 20 99 - 21 - 2419=4, 3.0/2433=2...(8) HB2 LYS 65 - HB3 GLN 55 OK 12 91 - 14 - 3.0/2928=2, ~2580=1...(4) HG LEU 76 - HB3 LYS 65 OK 12 83 - 15 - 2909/3.0=1, 3.0/2931=1...(6) HD3 LYS 78 - HB3 LYS 65 OK 10 100 - 10 - 2939/3.0=1 HB2 MET 48 - HB3 GLN 55 lone 7 89 - 8 - 2419=2 HB2 ARG 28 - HB3 GLN 55 lone 6 91 - 7 - 3.0/2586=1 HG3 GLU 37 - HB3 LYS 65 lone 5 100 - 5 - HB2 ARG 27 - HB3 LYS 65 lone 4 96 - 4 - HB2 LYS 44 - HB3 LYS 65 lone 4 65 - 6 - HB3 ARG 28 - HB3 GLN 55 lone 4 68 - 5 - 3.0/2586=1 QE MET 11 - HB3 LYS 65 lone 3 85 - 4 - QB ALA 74 - HB3 LYS 65 lone 3 96 - 3 - HG2 GLU 51 - HB3 LYS 65 lone 3 83 - 3 - HG3 GLU 51 - HB3 LYS 65 lone 3 81 - 3 - HD3 LYS 78 - HB3 GLN 55 lone 3 90 - 3 - QB ALA 74 - HB3 GLN 55 lone 3 84 - 3 - HB2 GLU 37 - HB3 LYS 65 lone 3 63 - 4 - HG2 GLU 51 - HB3 GLN 55 lone 2 70 - 3 - 6134/3.9=3 HG3 GLU 51 - HB3 GLN 55 lone 2 68 - 3 - 6134/3.9=3 HB3 GLU 33 - HB3 LYS 65 lone 2 65 - 3 - QE MET 11 - HB3 GLN 55 lone 2 72 - 2 - 4247/4.5=1 HB2 ARG 28 - HB3 LYS 65 lone 2 100 - 2 - HB2 LYS 31 - HB3 LYS 65 lone 2 100 - 2 - HB2 LYS 91 - HB3 LYS 65 lone 1 100 - 1 - HB2 ARG 27 - HB3 GLN 55 lone 1 84 - 2 - HG3 GLU 37 - HB3 GLN 55 lone 1 91 - 1 - HB3 ARG 28 - HB3 LYS 65 lone 1 81 - 1 - HG LEU 76 - HB3 GLN 55 lone 1 70 - 1 - HB3 GLU 33 - HB3 GLN 55 lone 1 54 - 1 - HB2 LYS 31 - HB3 GLN 55 lone 1 91 - 1 - HB2 LYS 44 - HB3 GLN 55 lone 0 54 - 1 - HB2 LYS 91 - HB3 GLN 55 lone 0 90 - 0 - HB2 GLU 37 - HB3 GLN 55 lone 0 52 - 1 - Peak 2930 from cnoeabs.peaks (1.74, 1.74, 31.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 HB3 GLN 55 + HB3 GLN 55 OK 81 81 - 100 Peak 2931 from cnoeabs.peaks (1.45, 1.74, 31.71 ppm; 3.63 A): 1 out of 20 assignments used, quality = 1.00: * HG2 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.0=100 HG LEU 12 - HB3 LYS 65 OK 36 87 - 41 - 2921/1.8=4, 2911/3.0=4...(21) HB3 LEU 76 - HB3 LYS 65 OK 35 89 - 40 - 2921/1.8=4, 2911/3.0=4...(18) HB3 LYS 64 - HB3 LYS 65 OK 34 100 - 34 - 4.6/814=11, ~5428=4...(8) HG3 LYS 78 - HB3 LYS 65 OK 29 97 - 30 - 2921/1.8=4, 2911/3.0=2...(15) HG2 LYS 65 - HB3 GLN 55 OK 27 91 - 29 - 2940=4, 3.7/2928=4...(15) HD2 LYS 44 - HB3 LYS 65 OK 18 71 - 25 - 6166/3.0=3, 2921/1.8=2...(9) HD2 LYS 64 - HB3 LYS 65 OK 17 97 - 17 - 296/3.8=2, 2921/1.8=2...(6) HG3 LYS 78 - HB3 GLN 55 OK 12 85 - 14 - 4091/4.6=3, ~4237=2...(5) HG2 ARG 27 - HB3 LYS 65 poor 7 63 - 11 - HB3 ARG 45 - HB3 LYS 65 lone 6 99 - 6 - 4024/3.8=1 HB3 LEU 34 - HB3 LYS 65 lone 5 73 - 7 - HG LEU 12 - HB3 GLN 55 lone 4 74 - 6 - HB3 LEU 76 - HB3 GLN 55 lone 4 76 - 6 - HB3 LYS 64 - HB3 GLN 55 lone 4 90 - 5 - 4.6/814=2 HG2 ARG 27 - HB3 GLN 55 lone 3 52 - 6 - HD2 LYS 64 - HB3 GLN 55 lone 2 86 - 3 - HB3 LEU 34 - HB3 GLN 55 lone 1 61 - 2 - HD2 LYS 44 - HB3 GLN 55 lone 1 59 - 2 - HB3 ARG 45 - HB3 GLN 55 lone 1 88 - 1 - Peak 2932 from cnoeabs.peaks (1.26, 1.74, 31.71 ppm; 3.56 A): 2 out of 16 assignments used, quality = 1.00: * HG3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.0=100 HG3 LYS 17 + HB3 LYS 65 OK 49 99 - 50 - 2922/1.8=5, 2942/3.0=5...(25) HG2 LYS 17 - HB3 LYS 65 OK 34 71 - 48 - 1.8/1371=4, 2922/1.8=4...(25) HB3 LYS 68 - HB3 LYS 65 OK 30 60 - 51 - ~4177=8, 4179/3.0=6...(21) HG3 LYS 65 - HB3 GLN 55 OK 27 91 - 29 - 3.7/2928=4, 1.8/2940=3...(16) HG3 LYS 56 - HB3 LYS 65 OK 27 90 - 29 - 2948/3.0=4, 2950=3...(12) HB2 LEU 79 - HB3 LYS 65 OK 26 96 - 27 - 2912/3.0=3, 2922/1.8=3...(12) HB3 LEU 23 - HB3 LYS 65 OK 24 100 - 24 - 4477/1.8=3, 2912/3.0=2...(10) HB2 LEU 79 - HB3 GLN 55 OK 23 84 - 28 - ~5847=3, ~5852=3...(11) HG3 LYS 56 - HB3 GLN 55 OK 20 78 - 25 - 4.7/242=6, ~5224=4...(7) HD3 LYS 44 - HB3 LYS 65 OK 16 65 - 24 - ~6166=3, 1.8/2931=2...(9) HB3 LEU 23 - HB3 GLN 55 OK 13 90 - 14 - 1594/1.8=2, 1594/2.9=1, ~5171=1 HG3 LYS 17 - HB3 GLN 55 lone 8 89 - 9 - 763/4.6=2 HB3 LYS 68 - HB3 GLN 55 poor 6 49 - 13 - 4048/4.5=3, 5523/4.5=2...(4) HG2 LYS 17 - HB3 GLN 55 lone 4 59 - 6 - HD3 LYS 44 - HB3 GLN 55 lone 2 54 - 4 - 763/4.6=2 Peak 2933 from cnoeabs.peaks (1.58, 1.74, 31.71 ppm; 3.54 A): 4 out of 18 assignments used, quality = 1.00: * HD2 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.5=100 HD3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.5=100 HD3 LYS 14 + HB3 LYS 65 OK 60 100 - 60 - 2923/1.8=5, 2970=5...(32) HD2 LYS 14 + HB3 LYS 65 OK 60 99 - 60 - 2923/1.8=5, 2970=5...(32) HB2 LYS 68 - HB3 LYS 65 OK 35 71 - 49 - 4177/3.0=9, ~4179=7...(19) HB2 LEU 12 - HB3 LYS 65 OK 29 81 - 37 - 4.0/2927=4, 1166/3.8=3...(17) HD2 LYS 65 - HB3 GLN 55 OK 21 91 - 23 - 4.6/2928=3, 2.8/2940=3...(10) HD3 LYS 65 - HB3 GLN 55 OK 21 91 - 23 - 4.6/2928=3, 2.8/2940=3...(10) HB2 LYS 68 - HB3 GLN 55 poor 8 59 - 13 - 4047/4.5=3, 5521/4.5=2...(4) HB3 LEU 85 - HB3 LYS 65 lone 7 95 - 7 - 4.3/4033=1 HB2 LEU 87 - HB3 LYS 65 lone 6 81 - 7 - 4.2/4033=2 HB2 LEU 12 - HB3 GLN 55 lone 3 68 - 5 - HG LEU 85 - HB3 LYS 65 lone 3 65 - 5 - HB2 LEU 87 - HB3 GLN 55 lone 3 68 - 4 - HB3 LEU 85 - HB3 GLN 55 lone 3 82 - 3 - HD3 LYS 14 - HB3 GLN 55 lone 2 90 - 2 - HD2 LYS 14 - HB3 GLN 55 lone 2 89 - 2 - HG LEU 85 - HB3 GLN 55 lone 1 54 - 2 - Peak 2934 from cnoeabs.peaks (1.58, 1.74, 31.71 ppm; 3.54 A): 4 out of 20 assignments used, quality = 1.00: * HD3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.5=100 HD2 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.5=100 HD3 LYS 14 + HB3 LYS 65 OK 60 100 - 60 - 2923/1.8=5, 2970=5...(32) HD2 LYS 14 + HB3 LYS 65 OK 60 100 - 60 - 2923/1.8=5, 2970=5...(32) HB2 LYS 68 - HB3 LYS 65 OK 39 78 - 50 - 4177/3.0=10, ~4179=7...(19) HB2 LEU 12 - HB3 LYS 65 OK 32 87 - 37 - 4.0/2927=4, 1166/3.8=4...(17) HD3 LYS 65 - HB3 GLN 55 OK 21 91 - 23 - 4.6/2928=3, 2.8/2940=3...(10) HD2 LYS 65 - HB3 GLN 55 OK 21 91 - 23 - 4.6/2928=3, 2.8/2940=3...(10) HB2 LYS 68 - HB3 GLN 55 poor 9 66 - 14 - 4047/4.5=4, 5521/4.5=3...(4) HB3 LEU 85 - HB3 LYS 65 lone 7 97 - 7 - 4.3/4033=1 HB2 LEU 87 - HB3 LYS 65 lone 6 87 - 7 - 4.2/4033=2 HG LEU 85 - HB3 LYS 65 lone 4 73 - 5 - HB2 LEU 12 - HB3 GLN 55 lone 4 74 - 5 - HG LEU 87 - HB3 LYS 65 lone 4 60 - 6 - 4.9/4033=1 HB2 LEU 87 - HB3 GLN 55 lone 3 74 - 4 - HB3 LEU 85 - HB3 GLN 55 lone 3 86 - 3 - HD3 LYS 14 - HB3 GLN 55 lone 2 91 - 2 - HD2 LYS 14 - HB3 GLN 55 lone 2 91 - 2 - HG LEU 87 - HB3 GLN 55 lone 2 49 - 3 - HG LEU 85 - HB3 GLN 55 lone 1 61 - 2 - Peak 2935 from cnoeabs.peaks (2.88, 1.74, 31.71 ppm; 4.77 A): 2 out of 22 assignments used, quality = 1.00: * HE2 LYS 65 + HB3 LYS 65 OK 98 100 - 98 - 5.1=82, 2955/3.0=12...(45) HE3 LYS 65 + HB3 LYS 65 OK 98 100 - 98 - 5.1=82, 2955/3.0=12...(41) HE3 LYS 14 - HB3 LYS 65 OK 40 60 - 68 - 3.0/2933=6, 3.0/2933=6...(44) HE3 LYS 17 - HB3 LYS 65 OK 29 71 - 41 - 3.9/2932=4, 3.9/1362=4...(21) HB2 ASP 53 - HB3 GLN 55 OK 27 78 - 35 - 5209/4.5=13, 5148/4.5=13 HB3 ASN 63 - HB3 LYS 65 OK 27 85 - 31 - 5410/3.8=8, 308/4.4=4...(11) HE3 LYS 65 - HB3 GLN 55 OK 21 90 - 23 - 5.8/2928=4, 3.8/2940=4...(10) HE2 LYS 65 - HB3 GLN 55 OK 21 91 - 23 - 5.8/2928=4, 3.8/2940=4...(10) HB3 PHE 80 - HB3 LYS 65 OK 18 60 - 30 - 2.5/5189=4, 4.0/2927=4...(12) HB3 PHE 80 - HB3 GLN 55 OK 15 49 - 30 - ~5186=6, 2.5/5189=5...(8) HB3 ASN 18 - HB3 GLN 55 OK 12 68 - 18 - 3.5/5190=2, 4335/2.9=2...(7) HB3 ASN 18 - HB3 LYS 65 OK 12 81 - 14 - 3.9/44=2, 2925/1.8=1 HB2 ASN 18 - HB3 GLN 55 OK 12 66 - 18 - 3.5/5190=2, 4335/2.9=2...(7) HB3 ASN 24 - HB3 LYS 65 OK 12 73 - 15 - 3.5/2927=2, 819/3.8=1...(5) HB2 ASN 18 - HB3 LYS 65 OK 11 78 - 14 - 3.9/44=2, 2925/1.8=1 HB3 TYR 32 - HB3 LYS 65 poor 9 71 - 13 - 4618=2, 2.5/2591=1, ~4613=1 HB3 TYR 32 - HB3 GLN 55 poor 8 59 - 13 - 2025/4.5=2, 4618=2...(6) HB3 ASN 63 - HB3 GLN 55 poor 8 72 - 10 - 2811/4.5=3, 5209/4.5=2 HB2 ASP 53 - HB3 LYS 65 lone 7 90 - 8 - HE3 LYS 17 - HB3 GLN 55 lone 4 59 - 7 - ~5173=1 HB3 ASN 24 - HB3 GLN 55 lone 3 61 - 5 - HE3 LYS 14 - HB3 GLN 55 lone 2 49 - 4 - Peak 2936 from cnoeabs.peaks (2.88, 1.74, 31.71 ppm; 4.77 A): 4 out of 26 assignments used, quality = 1.00: HE2 LYS 65 + HB3 LYS 65 OK 98 100 - 98 - 5.1=82, 2955/3.0=12...(45) * HE3 LYS 65 + HB3 LYS 65 OK 98 100 - 98 - 5.1=82, 2955/3.0=12...(41) HE3 LYS 14 + HB3 LYS 65 OK 48 71 - 68 - 3.0/2933=6, 3.0/2933=6...(44) HE2 LYS 14 + HB3 LYS 65 OK 46 63 - 73 - 3.0/2933=6, 3.0/2933=6...(48) HB2 ASP 53 - HB3 GLN 55 OK 30 84 - 36 - 5209/4.5=14, 5148/4.5=13 HE3 LYS 17 - HB3 LYS 65 OK 25 60 - 41 - 3.9/2932=4, 3.9/1362=4...(21) HB3 ASN 63 - HB3 LYS 65 OK 23 76 - 31 - 5410/3.8=7, 308/4.4=4...(11) HB3 PHE 80 - HB3 LYS 65 OK 22 71 - 31 - 2.5/5189=4, 4.0/2927=4...(12) HE3 LYS 65 - HB3 GLN 55 OK 21 91 - 24 - 5.8/2928=4, 3.8/2940=4...(11) HE2 LYS 65 - HB3 GLN 55 OK 21 90 - 23 - 5.8/2928=4, 3.8/2940=4...(10) HB3 PHE 80 - HB3 GLN 55 OK 19 59 - 32 - ~5186=6, 2.5/5189=5...(10) HB2 ASN 63 - HB3 LYS 65 OK 19 60 - 31 - 5411/3.8=6, 4020/4.4=3...(14) HB3 ASN 18 - HB3 LYS 65 OK 10 71 - 14 - 3.9/44=2, 2925/1.8=1 HB3 ASN 18 - HB3 GLN 55 OK 10 59 - 17 - 3.5/5190=2, 4335/2.9=1...(7) HB3 ASN 24 - HB3 LYS 65 poor 10 63 - 15 - 3.5/2927=2, 819/3.8=1...(5) HB2 ASN 18 - HB3 LYS 65 poor 10 68 - 14 - 3.9/44=2, 2925/1.8=1 HB2 ASN 18 - HB3 GLN 55 poor 10 56 - 17 - 3.5/5190=2, 4335/2.9=1...(7) HB2 ASP 53 - HB3 LYS 65 lone 7 96 - 8 - HB3 TYR 32 - HB3 LYS 65 poor 7 60 - 12 - 4618=2, 2.5/2591=1, ~4613=1 HB3 ASN 63 - HB3 GLN 55 lone 6 63 - 10 - 2811/4.5=2, 5209/4.5=2 HB3 TYR 32 - HB3 GLN 55 poor 6 49 - 12 - ~2583=2, 2025/4.5=2...(6) HB2 ASN 63 - HB3 GLN 55 poor 5 49 - 11 - 5206/4.5=3, 5209/4.5=2 HE3 LYS 17 - HB3 GLN 55 lone 4 49 - 7 - ~5173=1 HE3 LYS 14 - HB3 GLN 55 lone 3 59 - 5 - HB3 ASN 24 - HB3 GLN 55 lone 3 52 - 5 - HE2 LYS 14 - HB3 GLN 55 lone 2 52 - 4 - Peak 2937 from cnoeabs.peaks (7.85, 1.45, 25.33 ppm; 3.92 A): 2 out of 4 assignments used, quality = 0.94: * H LYS 65 + HG2 LYS 65 OK 88 100 - 88 - 5.0=47, 814/3.0=21...(22) H LEU 12 + HG2 LYS 65 OK 46 97 - 48 - 2917/3.0=7, 525=7...(16) H PHE 80 - HG2 LYS 65 OK 25 87 - 28 - 381/1.8=5, 2917/3.0=5...(11) HD21 ASN 24 - HG2 LYS 65 poor 9 71 - 13 - 2917/3.0=2, 2947/1.8=2...(4) Peak 2938 from cnoeabs.peaks (3.74, 1.45, 25.33 ppm; 3.97 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.7=100 HB2 SER 36 - HG2 LYS 65 OK 16 89 - 18 - 2918/3.0=4, 2948/1.8=4...(6) HA2 GLY 39 - HG2 LYS 65 OK 10 87 - 12 - 2948/1.8=2, 2918/3.0=2...(4) HA2 GLY 40 - HG2 LYS 65 lone 2 57 - 3 - Peak 2939 from cnoeabs.peaks (1.79, 1.45, 25.33 ppm; 3.77 A): 1 out of 17 assignments used, quality = 1.00: * HB2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.0=100 HB2 MET 48 - HG2 LYS 65 OK 36 99 - 37 - 1.8/2940=4, 2419/3.0=4...(18) HD3 LYS 78 - HG2 LYS 65 OK 33 100 - 33 - 3352=5, 1.8/3342=3...(17) HG LEU 76 - HG2 LYS 65 OK 30 83 - 37 - 6171/1.8=4, ~5773=4...(17) HB2 LYS 44 - HG2 LYS 65 OK 14 65 - 21 - 1.8/2272=1, 3.7/2942=1...(6) HB2 ARG 27 - HG2 LYS 65 OK 13 96 - 13 - HG3 GLU 37 - HG2 LYS 65 OK 10 100 - 10 - 2419/3.0=1, 2909/3.7=1 HG2 GLU 51 - HG2 LYS 65 lone 8 83 - 9 - QE MET 11 - HG2 LYS 65 lone 8 85 - 9 - 4245/1.8=3 HG3 GLU 51 - HG2 LYS 65 lone 8 81 - 9 - QB ALA 74 - HG2 LYS 65 lone 7 96 - 8 - HB3 GLU 33 - HG2 LYS 65 poor 7 65 - 11 - 3.0/4650=1, 3.0/4660=1 HB2 GLU 37 - HG2 LYS 65 poor 7 63 - 11 - 2918/3.7=1 HB2 LYS 31 - HG2 LYS 65 lone 5 100 - 5 - HB2 ARG 28 - HG2 LYS 65 lone 5 100 - 5 - HB2 LYS 91 - HG2 LYS 65 lone 4 100 - 4 - HB3 ARG 28 - HG2 LYS 65 lone 3 81 - 4 - Peak 2940 from cnoeabs.peaks (1.74, 1.45, 25.33 ppm; 3.98 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.0=100 HB2 LYS 17 + HG2 LYS 65 OK 52 93 - 56 - 2.9/2942=6, 2920/3.0=5...(33) HB3 LYS 17 + HG2 LYS 65 OK 51 92 - 56 - 2.9/2942=6, 2920/3.0=5...(33) HB3 MET 48 - HG2 LYS 65 OK 36 90 - 40 - 1.8/2939=5, 2920/3.0=4...(19) HB3 GLN 55 - HG2 LYS 65 OK 31 93 - 33 - 2928/3.7=5, 2931=4...(16) HB2 LEU 73 - HG2 LYS 65 lone 8 87 - 9 - 2910/3.7=1 Peak 2941 from cnoeabs.peaks (1.45, 1.45, 25.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 Peak 2942 from cnoeabs.peaks (1.26, 1.45, 25.33 ppm; 2.64 A): 1 out of 8 assignments used, quality = 1.00: * HG3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 1.8=100 HG3 LYS 17 - HG2 LYS 65 OK 27 99 - 27 - 1373/1.8=2, 2.9/2940=2...(9) HG2 LYS 17 - HG2 LYS 65 OK 18 71 - 25 - 2.9/2940=2, 1364/1.8=2...(8) HG3 LYS 56 - HG2 LYS 65 OK 15 90 - 16 - 2951=3, 2948/3.7=2...(5) HB2 LEU 79 - HG2 LYS 65 OK 12 96 - 12 - 2912/3.7=1, 2922/3.0=1 HB3 LYS 68 - HG2 LYS 65 OK 11 60 - 19 - 4179/3.7=3, 1.8/2944=1...(5) HB3 LEU 23 - HG2 LYS 65 OK 11 100 - 11 - 4477/3.0=1 HD3 LYS 44 - HG2 LYS 65 poor 8 65 - 12 - Peak 2943 from cnoeabs.peaks (1.58, 1.45, 25.33 ppm; 2.87 A): 2 out of 9 assignments used, quality = 1.00: * HD2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 2.8=100 HD3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 2.8=100 HD3 LYS 14 - HG2 LYS 65 OK 41 100 - 41 - 2961=4, 2953/1.8=4...(16) HD2 LYS 14 - HG2 LYS 65 OK 41 99 - 41 - 2961=4, 2953/1.8=3...(16) HB2 LEU 12 - HG2 LYS 65 OK 20 81 - 26 - 4.0/2937=3, 1.8/1177=2...(11) HB2 LYS 68 - HG2 LYS 65 OK 15 71 - 22 - 4177/3.7=5, 1.8/2942=2...(6) HB3 LEU 85 - HG2 LYS 65 lone 4 95 - 4 - HB2 LEU 87 - HG2 LYS 65 lone 3 81 - 3 - HG LEU 85 - HG2 LYS 65 lone 2 65 - 2 - Peak 2944 from cnoeabs.peaks (1.58, 1.45, 25.33 ppm; 2.87 A): 2 out of 10 assignments used, quality = 1.00: * HD3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 2.8=100 HD2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 2.8=100 HD3 LYS 14 - HG2 LYS 65 OK 41 100 - 41 - 2961=4, 2953/1.8=3...(16) HD2 LYS 14 - HG2 LYS 65 OK 41 100 - 41 - 2971=4, 2953/1.8=3...(16) HB2 LEU 12 - HG2 LYS 65 OK 22 87 - 26 - 4.0/2937=3, 1170=2...(11) HB2 LYS 68 - HG2 LYS 65 OK 18 78 - 23 - 4177/3.7=5, 1.8/2942=2...(6) HB3 LEU 85 - HG2 LYS 65 lone 4 97 - 4 - HB2 LEU 87 - HG2 LYS 65 lone 3 87 - 3 - HG LEU 85 - HG2 LYS 65 lone 2 73 - 2 - HG LEU 87 - HG2 LYS 65 lone 2 60 - 3 - Peak 2945 from cnoeabs.peaks (2.88, 1.45, 25.33 ppm; 3.82 A): 2 out of 11 assignments used, quality = 1.00: * HE2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.8=100 HE3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.8=100 HE3 LYS 14 - HG2 LYS 65 OK 29 60 - 49 - 3.0/2943=5, 3.0/2943=5...(30) HE3 LYS 17 - HG2 LYS 65 OK 25 71 - 36 - 3.9/2942=4, 5.0/2940=3...(16) HB3 ASN 63 - HG2 LYS 65 OK 13 85 - 16 - 5410/5.0=4, 2915/3.7=2...(6) HB3 PHE 80 - HG2 LYS 65 OK 12 60 - 19 - 4.0/2937=3, ~4706=3...(10) HB3 ASN 24 - HG2 LYS 65 lone 6 73 - 9 - 3.5/2937=1 HB3 ASN 18 - HG2 LYS 65 lone 6 81 - 7 - HB2 ASN 18 - HG2 LYS 65 lone 5 78 - 7 - HB3 TYR 32 - HG2 LYS 65 lone 4 71 - 6 - HB2 ASP 53 - HG2 LYS 65 lone 3 90 - 3 - Peak 2946 from cnoeabs.peaks (2.88, 1.45, 25.33 ppm; 3.82 A): 2 out of 13 assignments used, quality = 1.00: * HE3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.8=100 HE2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 3.8=100 HE3 LYS 14 - HG2 LYS 65 OK 34 71 - 49 - 3.0/2943=5, 3.0/2943=5...(30) HE2 LYS 14 - HG2 LYS 65 OK 33 63 - 53 - 3.0/2943=5, 3.0/2943=5...(33) HE3 LYS 17 - HG2 LYS 65 OK 22 60 - 36 - 3.9/2942=4, 5.0/2940=3...(16) HB3 PHE 80 - HG2 LYS 65 OK 14 71 - 20 - 4.0/2937=3, ~4706=3...(10) HB3 ASN 63 - HG2 LYS 65 OK 12 76 - 15 - 5410/5.0=3, 2915/3.7=2...(6) HB2 ASN 63 - HG2 LYS 65 poor 9 60 - 15 - 5411/5.0=3, 4.4/807=2 HB3 ASN 24 - HG2 LYS 65 lone 5 63 - 8 - 3.5/2937=1 HB3 ASN 18 - HG2 LYS 65 lone 5 71 - 7 - HB2 ASN 18 - HG2 LYS 65 lone 5 68 - 7 - HB3 TYR 32 - HG2 LYS 65 lone 3 60 - 6 - HB2 ASP 53 - HG2 LYS 65 lone 3 96 - 3 - Peak 2947 from cnoeabs.peaks (7.85, 1.26, 25.33 ppm; 4.33 A): 2 out of 8 assignments used, quality = 0.97: * H LYS 65 + HG3 LYS 65 OK 94 100 - 94 - 5.0=63, 814/3.0=24...(18) H LEU 12 + HG3 LYS 65 OK 47 97 - 49 - 2937/1.8=12, 2917/3.0=8...(13) H PHE 80 - HG3 LYS 65 OK 36 87 - 41 - 2937/1.8=6, 381=6...(15) H LYS 65 - HG3 LYS 56 OK 33 90 - 37 - 5453/1.8=10, 2.9/2948=5...(10) H PHE 80 - HG3 LYS 56 OK 13 72 - 18 - 379/4.7=4, 4.6/2649=2...(7) HD21 ASN 24 - HG3 LYS 65 OK 12 71 - 17 - 2937/1.8=2, 2917/3.0=2...(5) H LEU 12 - HG3 LYS 56 lone 8 83 - 10 - 524/2.9=2, 524/3.0=1, ~1162=1 HD21 ASN 24 - HG3 LYS 56 lone 3 58 - 4 - 5.4/80=1 Peak 2948 from cnoeabs.peaks (3.74, 1.26, 25.33 ppm; 3.74 A): 1 out of 8 assignments used, quality = 1.00: * HA LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.7=100 HA LYS 65 - HG3 LYS 56 OK 25 90 - 27 - 2912=4, ~5453=4...(8) HB2 SER 36 - HG3 LYS 65 OK 15 89 - 17 - 2938/1.8=4, 2918/3.0=3...(6) HB2 SER 36 - HG3 LYS 56 OK 11 74 - 15 - 4758/1.8=6, ~4764=4, ~4768=3 HA2 GLY 39 - HG3 LYS 65 poor 10 87 - 11 - 2938/1.8=3, 2918/3.0=2 HA2 GLY 39 - HG3 LYS 56 lone 3 72 - 4 - ~181=1 HA2 GLY 40 - HG3 LYS 65 lone 2 57 - 3 - HA2 GLY 40 - HG3 LYS 56 lone 0 46 - 1 - Peak 2949 from cnoeabs.peaks (1.79, 1.26, 25.33 ppm; 3.51 A): 1 out of 34 assignments used, quality = 1.00: * HB2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.0=100 HG2 GLU 51 - HG3 LYS 56 OK 42 69 - 62 - 3.9/6053=9, ~5067=8...(26) HG3 GLU 51 - HG3 LYS 56 OK 41 66 - 62 - 3.9/6053=9, ~5067=8...(26) HB2 MET 48 - HG3 LYS 65 OK 32 99 - 32 - 2939/1.8=4, 2419/3.0=4...(16) HB2 LYS 44 - HG3 LYS 56 OK 27 53 - 52 - 1.8/2273=4, 2.9/2283=4...(32) HG LEU 76 - HG3 LYS 65 OK 27 83 - 32 - 2.1/5773=5, 2939/1.8=3...(16) HB2 LYS 65 - HG3 LYS 56 OK 26 90 - 28 - 2922=4, 3.0/2948=4...(11) HD3 LYS 78 - HG3 LYS 65 OK 24 100 - 24 - 2939/1.8=4, ~3342=2...(9) HB2 ARG 27 - HG3 LYS 56 OK 22 82 - 26 - ~5215=3, 1770/3.0=2...(7) HB2 LYS 31 - HG3 LYS 56 OK 21 90 - 23 - 1932/3.0=3, ~5215=2...(6) QB ALA 74 - HG3 LYS 56 OK 19 82 - 23 - 5728/4.0=5, 5720/3.6=4...(6) HB2 MET 48 - HG3 LYS 56 OK 15 88 - 17 - 4777/1.8=2, 4851/2.9=2...(7) HB2 LYS 44 - HG3 LYS 65 OK 11 65 - 17 - 2939/1.8=2, ~2272=1, 2909/3.7=1 HG3 GLU 37 - HG3 LYS 56 OK 11 90 - 12 - ~4776=2, 4777/1.8=1 HG LEU 76 - HG3 LYS 56 OK 11 69 - 16 - ~6206=4, ~6207=3...(4) HB2 ARG 27 - HG3 LYS 65 OK 11 96 - 11 - 2939/1.8=1 HB3 GLU 33 - HG3 LYS 56 OK 10 53 - 19 - 3.0/4664=2, 4.2/3995=2...(7) HG3 GLU 37 - HG3 LYS 65 lone 10 100 - 9 - 2939/1.8=1, 2419/3.0=1 QE MET 11 - HG3 LYS 56 poor 9 71 - 13 - 4244/1.8=6, 4245=5 HD3 LYS 78 - HG3 LYS 56 poor 9 89 - 10 - 4093/4.7=2 HG2 GLU 51 - HG3 LYS 65 poor 9 83 - 10 - 3.9/6053=1 HG3 GLU 51 - HG3 LYS 65 poor 8 81 - 10 - 3.9/6053=1 QE MET 11 - HG3 LYS 65 lone 7 85 - 9 - 4245=3 QB ALA 74 - HG3 LYS 65 lone 7 96 - 8 - HB2 GLU 37 - HG3 LYS 65 lone 6 63 - 10 - 2918/3.7=1 HB3 GLU 33 - HG3 LYS 65 lone 6 65 - 9 - HB2 GLU 37 - HG3 LYS 56 poor 6 50 - 11 - ~4776=2 HB2 ARG 28 - HG3 LYS 65 lone 4 100 - 4 - HB2 LYS 31 - HG3 LYS 65 lone 4 100 - 4 - HB2 LYS 91 - HG3 LYS 65 lone 4 100 - 4 - HB2 ARG 28 - HG3 LYS 56 lone 4 90 - 4 - HB2 LYS 91 - HG3 LYS 56 lone 4 88 - 4 - HB3 ARG 28 - HG3 LYS 65 lone 3 81 - 4 - HB3 ARG 28 - HG3 LYS 56 lone 3 66 - 4 - Peak 2950 from cnoeabs.peaks (1.74, 1.26, 25.33 ppm; 3.37 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.0=100 HB2 LYS 17 - HG3 LYS 65 OK 41 93 - 45 - 2940/1.8=5, 2920/3.0=4...(20) HB3 LYS 17 - HG3 LYS 65 OK 41 92 - 44 - 2940/1.8=5, 2920/3.0=4...(20) HB2 LYS 17 - HG3 LYS 56 OK 38 79 - 49 - 3.0/1334=5, 2.9/1364=4...(22) HB3 LYS 17 - HG3 LYS 56 OK 38 78 - 49 - 3.0/1334=5, 2.9/1364=4...(22) HB3 MET 48 - HG3 LYS 65 OK 26 90 - 29 - 2940/1.8=3, 2920/3.0=3...(15) HB3 GLN 55 - HG3 LYS 65 OK 24 93 - 26 - 2928/3.7=4, 2940/1.8=3...(15) HB3 LYS 65 - HG3 LYS 56 OK 23 90 - 26 - 3.0/2948=3, 2932=3...(10) HB3 GLN 55 - HG3 LYS 56 OK 18 79 - 22 - 242/4.7=5, ~5224=4...(7) HB3 MET 48 - HG3 LYS 56 OK 13 76 - 17 - 4897/2.9=2, 4898/2.9=2...(5) HB2 LEU 73 - HG3 LYS 65 lone 6 87 - 7 - HB2 LEU 73 - HG3 LYS 56 lone 3 72 - 4 - Peak 2951 from cnoeabs.peaks (1.45, 1.26, 25.33 ppm; 2.57 A): 1 out of 20 assignments used, quality = 1.00: * HG2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 1.8=100 HB3 LEU 34 - HG3 LYS 56 OK 22 60 - 37 - 2087/1.8=4, ~2080=4...(21) HD2 LYS 44 - HG3 LYS 56 OK 19 58 - 34 - 2303=3, 2300/2.9=2...(16) HG LEU 12 - HG3 LYS 65 OK 16 87 - 19 - 2911/3.7=1, 2921/3.0=1...(7) HB3 LEU 76 - HG3 LYS 65 OK 15 89 - 17 - 3.1/5773=2, 3.0/6171=1...(5) HG2 LYS 65 - HG3 LYS 56 OK 14 90 - 16 - 2942=3, 3.7/2948=2...(5) HG3 LYS 78 - HG3 LYS 65 OK 14 97 - 14 - 2921/3.0=1, 2931/3.0=1, ~3322=1 HB3 LYS 64 - HG3 LYS 65 OK 13 100 - 13 - 4024/5.0=3, 2921/3.0=1...(4) HD2 LYS 64 - HG3 LYS 56 poor 10 84 - 12 - 2869/2.9=1, 2874/3.0=1 HB3 LYS 64 - HG3 LYS 56 poor 9 88 - 10 - 2839/2.9=1, ~5423=1 HD2 LYS 44 - HG3 LYS 65 poor 8 71 - 11 - HD2 LYS 64 - HG3 LYS 65 lone 7 97 - 8 - HG2 ARG 27 - HG3 LYS 56 poor 6 50 - 11 - HB3 LEU 76 - HG3 LYS 56 lone 5 74 - 6 - ~6206=1, ~6207=1 HG3 LYS 78 - HG3 LYS 56 lone 5 83 - 6 - 4091/4.7=1 HG LEU 12 - HG3 LYS 56 lone 3 72 - 5 - HG2 ARG 27 - HG3 LYS 65 lone 3 63 - 4 - HB3 ARG 45 - HG3 LYS 65 lone 2 99 - 2 - HB3 LEU 34 - HG3 LYS 65 lone 2 73 - 3 - HB3 ARG 45 - HG3 LYS 56 lone 2 86 - 2 - Peak 2952 from cnoeabs.peaks (1.26, 1.26, 25.33 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 HG3 LYS 56 + HG3 LYS 56 OK 76 76 - 100 Peak 2953 from cnoeabs.peaks (1.58, 1.26, 25.33 ppm; 2.97 A): 2 out of 18 assignments used, quality = 1.00: * HD2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 2.8=100 HD3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 2.8=100 HD3 LYS 14 - HG3 LYS 65 OK 44 100 - 44 - 2943/1.8=4, 2962=3...(20) HD2 LYS 14 - HG3 LYS 65 OK 44 99 - 44 - 2943/1.8=4, 2962=3...(20) HB2 LEU 12 - HG3 LYS 65 OK 19 81 - 24 - 1170/1.8=2, 4.0/2947=2...(12) HB2 LYS 68 - HG3 LYS 65 OK 18 71 - 25 - 4177/3.7=5, 2944/1.8=2...(9) HD2 LYS 65 - HG3 LYS 56 OK 14 90 - 16 - 2.8/2942=2, 4.6/2948=2...(5) HD3 LYS 65 - HG3 LYS 56 OK 14 89 - 16 - 2.8/2942=2, 4.6/2948=2...(5) HB2 LYS 68 - HG3 LYS 56 OK 13 58 - 23 - 3036=2, ~2644=2...(10) HB2 LEU 12 - HG3 LYS 56 lone 5 66 - 8 - HB3 LEU 85 - HG3 LYS 65 lone 4 95 - 4 - HB2 LEU 87 - HG3 LYS 56 lone 3 66 - 5 - HB2 LEU 87 - HG3 LYS 65 lone 3 81 - 4 - HB3 LEU 85 - HG3 LYS 56 lone 3 81 - 4 - HG LEU 85 - HG3 LYS 65 lone 2 65 - 3 - HG LEU 85 - HG3 LYS 56 lone 1 53 - 2 - HD3 LYS 14 - HG3 LYS 56 lone 1 88 - 1 - HD2 LYS 14 - HG3 LYS 56 lone 1 88 - 1 - Peak 2954 from cnoeabs.peaks (1.58, 1.26, 25.33 ppm; 2.97 A): 2 out of 20 assignments used, quality = 1.00: * HD3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 2.8=100 HD2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 2.8=100 HD3 LYS 14 - HG3 LYS 65 OK 44 100 - 44 - 2943/1.8=4, 2962=3...(20) HD2 LYS 14 - HG3 LYS 65 OK 44 100 - 44 - 2943/1.8=4, 2972=3...(20) HB2 LEU 12 - HG3 LYS 65 OK 21 87 - 24 - 1170/1.8=3, 4.0/2947=2...(12) HB2 LYS 68 - HG3 LYS 65 OK 20 78 - 26 - 4177/3.7=6, 2944/1.8=2...(9) HB2 LYS 68 - HG3 LYS 56 OK 15 64 - 24 - 3036=2, ~2644=2...(10) HD3 LYS 65 - HG3 LYS 56 OK 14 90 - 16 - 2.8/2942=2, 4.6/2948=2...(5) HD2 LYS 65 - HG3 LYS 56 OK 14 89 - 16 - 2.8/2942=2, 4.6/2948=2...(5) HB2 LEU 12 - HG3 LYS 56 lone 6 72 - 8 - 1169/2.9=1 HB3 LEU 85 - HG3 LYS 65 lone 4 97 - 4 - HB2 LEU 87 - HG3 LYS 56 lone 4 72 - 5 - HB2 LEU 87 - HG3 LYS 65 lone 4 87 - 4 - HB3 LEU 85 - HG3 LYS 56 lone 3 84 - 4 - HG LEU 85 - HG3 LYS 65 lone 2 73 - 3 - HG LEU 87 - HG3 LYS 65 lone 2 60 - 3 - HG LEU 87 - HG3 LYS 56 lone 2 48 - 4 - HG LEU 85 - HG3 LYS 56 lone 2 60 - 3 - HD3 LYS 14 - HG3 LYS 56 lone 1 89 - 1 - HD2 LYS 14 - HG3 LYS 56 lone 1 89 - 1 - Peak 2955 from cnoeabs.peaks (2.88, 1.26, 25.33 ppm; 3.65 A): 2 out of 22 assignments used, quality = 1.00: * HE2 LYS 65 + HG3 LYS 65 OK 98 100 - 98 - 3.8=93, 2981/1.8=10...(39) HE3 LYS 65 + HG3 LYS 65 OK 97 100 - 98 - 3.8=93, 2981/1.8=9...(35) HE3 LYS 14 - HG3 LYS 65 OK 27 60 - 45 - 3.0/2953=4, 3.0/2953=4...(22) HE3 LYS 17 - HG3 LYS 56 OK 22 58 - 38 - 1.8/1404=4, 3.9/1364=3...(20) HE3 LYS 17 - HG3 LYS 65 OK 20 71 - 29 - 1.8/1404=3, 2945/1.8=3...(15) HB3 ASN 63 - HG3 LYS 65 OK 12 85 - 14 - 5410/5.0=4, 2915/3.7=2...(6) HB3 PHE 80 - HG3 LYS 65 OK 12 60 - 20 - 2.5/4706=4, 4.0/381=3...(9) HE2 LYS 65 - HG3 LYS 56 OK 11 90 - 13 - 3.8/2942=2, 5.8/2948=2...(5) HE3 LYS 65 - HG3 LYS 56 OK 11 89 - 13 - 3.8/2942=2, 5.8/2948=2...(5) HB3 ASN 24 - HG3 LYS 65 lone 7 73 - 9 - 3.7/80=2, 3.5/2947=1 HB3 ASN 18 - HG3 LYS 65 lone 6 81 - 8 - 3.9/47=1 HB2 ASN 18 - HG3 LYS 65 lone 6 78 - 8 - 3.9/47=1 HB3 TYR 32 - HG3 LYS 65 lone 4 71 - 5 - HB3 ASN 18 - HG3 LYS 56 lone 4 66 - 5 - 3.9/47=2, ~4328=1 HB2 ASN 18 - HG3 LYS 56 lone 3 64 - 5 - 3.9/47=2, ~4328=1 HB2 ASP 53 - HG3 LYS 56 lone 3 76 - 4 - HB2 ASP 53 - HG3 LYS 65 lone 3 90 - 3 - HB3 PHE 80 - HG3 LYS 56 lone 2 48 - 5 - 2.5/4706=1 HB3 ASN 63 - HG3 LYS 56 lone 2 71 - 3 - HB3 ASN 24 - HG3 LYS 56 lone 2 60 - 3 - 3.7/80=1 HB3 TYR 32 - HG3 LYS 56 lone 1 58 - 2 - HE3 LYS 14 - HG3 LYS 56 lone 1 48 - 2 - Peak 2956 from cnoeabs.peaks (2.88, 1.26, 25.33 ppm; 3.65 A): 2 out of 26 assignments used, quality = 1.00: HE2 LYS 65 + HG3 LYS 65 OK 98 100 - 98 - 3.8=93, 2981/1.8=10...(39) * HE3 LYS 65 + HG3 LYS 65 OK 98 100 - 98 - 3.8=93, 2981/1.8=9...(35) HE3 LYS 14 - HG3 LYS 65 OK 32 71 - 45 - 3.0/2953=4, 3.0/2953=4...(22) HE2 LYS 14 - HG3 LYS 65 OK 31 63 - 50 - 3.0/2953=4, 3.0/2953=4...(28) HE3 LYS 17 - HG3 LYS 56 OK 18 48 - 37 - 1.8/1404=4, 3.9/1364=3...(19) HE3 LYS 17 - HG3 LYS 65 OK 17 60 - 29 - 1.8/1404=3, 2945/1.8=3...(15) HB3 PHE 80 - HG3 LYS 65 OK 15 71 - 21 - 2.5/4706=4, 4.0/381=3...(9) HE3 LYS 65 - HG3 LYS 56 OK 11 90 - 13 - 3.8/2942=2, 5.8/2948=2...(5) HE2 LYS 65 - HG3 LYS 56 OK 11 89 - 13 - 3.8/2942=2, 5.8/2948=2...(5) HB3 ASN 63 - HG3 LYS 65 OK 11 76 - 14 - 5410/5.0=3, 2915/3.7=2...(6) HB2 ASN 63 - HG3 LYS 65 poor 8 60 - 14 - 5411/5.0=2, 2916/3.7=1...(4) HB3 ASN 24 - HG3 LYS 65 lone 6 63 - 9 - 3.7/80=2, 3.5/2947=1 HB3 ASN 18 - HG3 LYS 65 lone 5 71 - 8 - 3.9/47=1 HB2 ASN 18 - HG3 LYS 65 lone 5 68 - 8 - 3.9/47=1 HB2 ASP 53 - HG3 LYS 56 lone 4 82 - 5 - HB2 ASP 53 - HG3 LYS 65 lone 3 96 - 3 - HB3 TYR 32 - HG3 LYS 65 lone 3 60 - 5 - HB3 ASN 18 - HG3 LYS 56 lone 3 58 - 5 - 3.9/47=2, ~4328=1 HB2 ASN 18 - HG3 LYS 56 lone 3 55 - 5 - 3.9/47=2, ~4328=1 HB3 PHE 80 - HG3 LYS 56 lone 3 58 - 5 - 2.5/4706=1 HB3 ASN 63 - HG3 LYS 56 lone 2 62 - 3 - HB3 ASN 24 - HG3 LYS 56 lone 2 50 - 3 - 3.7/80=1 HB2 ASN 63 - HG3 LYS 56 lone 1 48 - 2 - HB3 TYR 32 - HG3 LYS 56 lone 1 48 - 2 - HE3 LYS 14 - HG3 LYS 56 lone 1 58 - 2 - HE2 LYS 14 - HG3 LYS 56 lone 1 50 - 2 - Peak 2957 from cnoeabs.peaks (7.85, 1.58, 28.78 ppm; 4.72 A): 6 out of 16 assignments used, quality = 1.00: * H LYS 65 + HD2 LYS 65 OK 94 100 - 94 - 6.2=45, 814/3.5=24...(21) H LYS 65 + HD3 LYS 65 OK 94 100 - 94 - 6.2=45, 814/3.5=24...(21) H LEU 12 + HD3 LYS 65 OK 56 96 - 59 - 2937/2.8=11, 2917/3.5=8...(17) H LEU 12 + HD2 LYS 65 OK 56 97 - 58 - 2937/2.8=11, 2917/3.5=8...(17) H LYS 65 + HD3 LYS 14 OK 48 100 - 48 - 2.9/2913=5, 817=5...(18) H LYS 65 + HD2 LYS 14 OK 48 99 - 48 - 2.9/2913=5, 817=5...(18) H PHE 80 - HD2 LYS 65 OK 27 87 - 31 - 2937/2.8=6, 2917/3.5=6...(7) H PHE 80 - HD3 LYS 65 OK 27 86 - 31 - 2937/2.8=6, 2917/3.5=6...(7) H LEU 12 - HD2 LYS 14 OK 15 95 - 15 - 523/1.8=2, 3.0/1161=2...(8) H LEU 12 - HD3 LYS 14 OK 15 96 - 15 - 523/1.8=2, 3.0/1161=2...(8) HD21 ASN 24 - HD2 LYS 65 OK 12 71 - 17 - 2937/2.8=2, 2917/3.5=2...(5) HD21 ASN 24 - HD3 LYS 65 OK 12 70 - 17 - 2937/2.8=2, 2917/3.5=2...(5) H PHE 80 - HD3 LYS 14 lone 7 86 - 8 - 900/3.0=1, 900/3.0=1 H PHE 80 - HD2 LYS 14 lone 7 85 - 8 - 900/3.0=1, 900/3.0=1 HD21 ASN 24 - HD3 LYS 14 lone 5 70 - 7 - HD21 ASN 24 - HD2 LYS 14 lone 5 69 - 7 - Peak 2958 from cnoeabs.peaks (3.74, 1.58, 28.78 ppm; 4.53 A): 4 out of 16 assignments used, quality = 1.00: * HA LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 4.6=94, 2912/2.8=16...(39) HA LYS 65 + HD3 LYS 65 OK 99 100 - 100 - 4.6=94, 2912/2.8=16...(39) HA LYS 65 + HD3 LYS 14 OK 62 100 - 62 - 2913=6, 2913/1.8=6...(31) HA LYS 65 + HD2 LYS 14 OK 61 99 - 62 - 2913=6, 2913/1.8=6...(31) HB2 SER 36 - HD3 LYS 65 OK 20 88 - 22 - 2938/2.8=5, 2918/3.5=4...(7) HB2 SER 36 - HD2 LYS 65 OK 20 89 - 22 - 2938/2.8=5, 2918/3.5=4...(7) HB2 SER 36 - HD3 LYS 14 OK 17 87 - 19 - ~4764=6, 4758/3.0=5...(4) HB2 SER 36 - HD2 LYS 14 OK 17 87 - 19 - ~4764=6, 4758/3.0=5...(4) HA2 GLY 39 - HD3 LYS 65 OK 13 86 - 14 - 2938/2.8=3, 2918/3.5=3...(4) HA2 GLY 39 - HD2 LYS 65 OK 13 87 - 14 - 2938/2.8=3, 2918/3.5=3...(4) HA2 GLY 39 - HD3 LYS 14 lone 3 86 - 3 - HA2 GLY 39 - HD2 LYS 14 lone 3 85 - 3 - HA2 GLY 40 - HD2 LYS 65 lone 2 57 - 4 - HA2 GLY 40 - HD3 LYS 65 lone 2 57 - 4 - HA2 GLY 40 - HD3 LYS 14 lone 1 56 - 1 - HA2 GLY 40 - HD2 LYS 14 lone 1 56 - 1 - Peak 2959 from cnoeabs.peaks (1.79, 1.58, 28.78 ppm; 3.64 A): 4 out of 68 assignments used, quality = 1.00: * HB2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 3.5=100 HB2 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 3.5=100 HB2 LYS 65 + HD3 LYS 14 OK 64 100 - 64 - 2923=7, 2923/1.8=5...(35) HB2 LYS 65 + HD2 LYS 14 OK 64 99 - 64 - 2923=7, 2923/1.8=5...(35) HB2 MET 48 - HD3 LYS 65 OK 35 99 - 36 - 2419/3.5=3, 2939/2.8=3...(18) HB2 MET 48 - HD2 LYS 65 OK 35 99 - 36 - 2419/3.5=3, 2939/2.8=3...(18) HG LEU 76 - HD2 LYS 65 OK 23 83 - 28 - 6171/2.8=3, 2939/2.8=3...(13) HG LEU 76 - HD3 LYS 65 OK 23 82 - 28 - 6171/2.8=3, 2939/2.8=3...(13) HB2 LYS 91 - HD3 LYS 14 OK 22 99 - 23 - 3708/4.9=3, 3713/3.6=3...(9) HB2 LYS 91 - HD2 LYS 14 OK 22 99 - 23 - 3708/4.9=3, 3713/3.6=3...(9) HD3 LYS 78 - HD2 LYS 65 OK 22 100 - 22 - 4.7/5813=3, 2939/2.8=3...(7) HD3 LYS 78 - HD3 LYS 65 OK 22 100 - 22 - 4.7/5813=3, 2939/2.8=3...(7) HG LEU 76 - HD3 LYS 14 OK 12 81 - 14 - ~6207=4, ~6206=3...(5) HG LEU 76 - HD2 LYS 14 OK 12 81 - 14 - ~6207=4, ~6206=3...(5) HB2 LYS 44 - HD2 LYS 65 OK 10 65 - 16 - 2939/2.8=1 HB2 LYS 44 - HD3 LYS 65 OK 10 65 - 16 - 2939/2.8=1 HG3 GLU 37 - HD3 LYS 65 lone 9 100 - 9 - HG3 GLU 37 - HD2 LYS 65 lone 9 100 - 9 - HB2 ARG 27 - HD2 LYS 65 lone 9 96 - 9 - 2939/2.8=1 HB2 ARG 27 - HD3 LYS 65 lone 9 95 - 9 - 2939/2.8=1 HB2 MET 48 - HD3 LYS 14 lone 9 99 - 9 - HB2 MET 48 - HD2 LYS 14 lone 9 98 - 9 - HG2 GLU 51 - HD3 LYS 65 lone 7 82 - 8 - HG2 GLU 51 - HD2 LYS 65 lone 7 83 - 8 - HG3 GLU 51 - HD3 LYS 65 lone 6 80 - 8 - HG3 GLU 51 - HD2 LYS 65 lone 6 81 - 8 - QE MET 11 - HD2 LYS 65 lone 6 85 - 7 - 4245/2.8=3 QE MET 11 - HD3 LYS 65 lone 6 84 - 7 - 4245/2.8=3 HB2 LYS 44 - HD3 LYS 14 lone 6 64 - 9 - HB2 LYS 44 - HD2 LYS 14 lone 6 64 - 9 - HB2 GLU 37 - HD2 LYS 65 lone 6 63 - 9 - HB2 GLU 37 - HD3 LYS 65 lone 6 62 - 9 - HB3 GLU 33 - HD2 LYS 65 lone 5 65 - 7 - HB3 GLU 33 - HD3 LYS 65 lone 5 65 - 8 - HB2 LYS 91 - HD2 LYS 65 lone 5 100 - 5 - HB2 LYS 91 - HD3 LYS 65 lone 5 99 - 5 - QB ALA 74 - HD3 LYS 65 lone 5 95 - 5 - QB ALA 74 - HD2 LYS 65 lone 5 96 - 5 - HB2 ARG 28 - HD3 LYS 65 lone 4 100 - 4 - HB2 ARG 28 - HD2 LYS 65 lone 4 100 - 4 - HB2 LYS 31 - HD3 LYS 65 lone 4 100 - 4 - HB2 LYS 31 - HD2 LYS 65 lone 4 100 - 4 - HB3 ARG 28 - HD2 LYS 65 lone 3 81 - 4 - HB3 ARG 28 - HD3 LYS 65 lone 3 80 - 4 - HB2 ARG 28 - HD3 LYS 14 lone 2 100 - 2 - HB2 ARG 28 - HD2 LYS 14 lone 2 99 - 2 - HG3 GLU 37 - HD3 LYS 14 lone 2 100 - 2 - HG3 GLU 37 - HD2 LYS 14 lone 2 99 - 2 - HD3 LYS 78 - HD3 LYS 14 lone 2 99 - 2 - HD3 LYS 78 - HD2 LYS 14 lone 2 99 - 2 - HB3 GLU 33 - HD3 LYS 14 lone 2 64 - 3 - ~4652=2 HB3 GLU 33 - HD2 LYS 14 lone 2 64 - 3 - ~4652=2 HB3 ARG 28 - HD3 LYS 14 lone 2 79 - 2 - HB3 ARG 28 - HD2 LYS 14 lone 2 79 - 2 - HB2 LYS 31 - HD3 LYS 14 lone 2 100 - 2 - HB2 LYS 31 - HD2 LYS 14 lone 2 99 - 2 - HB2 ARG 27 - HD3 LYS 14 lone 1 95 - 2 - HB2 ARG 27 - HD2 LYS 14 lone 1 94 - 2 - HB2 GLU 37 - HD3 LYS 14 lone 1 62 - 2 - HB2 GLU 37 - HD2 LYS 14 lone 1 61 - 2 - QB ALA 74 - HD3 LYS 14 lone 1 95 - 1 - QB ALA 74 - HD2 LYS 14 lone 1 94 - 1 - QE MET 11 - HD3 LYS 14 lone 1 84 - 1 - QE MET 11 - HD2 LYS 14 lone 1 83 - 1 - HG2 GLU 51 - HD3 LYS 14 lone 1 81 - 1 - HG2 GLU 51 - HD2 LYS 14 lone 1 81 - 1 - HG3 GLU 51 - HD3 LYS 14 lone 1 79 - 1 - HG3 GLU 51 - HD2 LYS 14 lone 1 79 - 1 - Peak 2960 from cnoeabs.peaks (1.74, 1.58, 28.78 ppm; 3.44 A): 4 out of 24 assignments used, quality = 1.00: * HB3 LYS 65 + HD2 LYS 65 OK 99 100 - 99 - 3.5=97, 3.0/2913=6...(31) HB3 LYS 65 + HD3 LYS 65 OK 99 100 - 99 - 3.5=97, 3.0/2913=6...(31) HB3 LYS 65 + HD3 LYS 14 OK 59 100 - 59 - 2933=6, 1.8/2923=5...(30) HB3 LYS 65 + HD2 LYS 14 OK 58 99 - 59 - 2933=6, 1.8/2923=5...(30) HB2 LYS 17 - HD2 LYS 65 OK 39 93 - 42 - 2940/2.8=4, 2920/3.5=4...(18) HB2 LYS 17 - HD3 LYS 65 OK 39 93 - 42 - 2940/2.8=4, 2920/3.5=4...(18) HB3 LYS 17 - HD2 LYS 65 OK 38 92 - 42 - 2940/2.8=4, 2920/3.5=3...(18) HB3 LYS 17 - HD3 LYS 65 OK 38 91 - 42 - 2940/2.8=4, 2920/3.5=3...(18) HB3 MET 48 - HD2 LYS 65 OK 29 90 - 32 - 2940/2.8=3, 3.0/4896=3...(14) HB3 MET 48 - HD3 LYS 65 OK 29 90 - 32 - 2940/2.8=3, 3.0/4896=3...(14) HB3 GLN 55 - HD2 LYS 65 OK 21 93 - 22 - 2928/4.6=3, 2940/2.8=3...(8) HB3 GLN 55 - HD3 LYS 65 OK 21 93 - 22 - 2928/4.6=3, 2940/2.8=3...(8) HB3 MET 48 - HD3 LYS 14 lone 7 89 - 8 - HB3 MET 48 - HD2 LYS 14 lone 7 89 - 8 - HB2 LEU 73 - HD2 LYS 65 lone 6 87 - 6 - HB2 LEU 73 - HD3 LYS 65 lone 6 86 - 6 - HB2 LEU 73 - HD3 LYS 14 lone 3 86 - 4 - HB2 LEU 73 - HD2 LYS 14 lone 3 85 - 4 - HB2 LYS 17 - HD3 LYS 14 lone 3 92 - 3 - HB2 LYS 17 - HD2 LYS 14 lone 3 92 - 3 - HB3 LYS 17 - HD3 LYS 14 lone 3 91 - 3 - HB3 LYS 17 - HD2 LYS 14 lone 3 90 - 3 - HB3 GLN 55 - HD3 LYS 14 lone 2 92 - 2 - HB3 GLN 55 - HD2 LYS 14 lone 2 92 - 2 - Peak 2961 from cnoeabs.peaks (1.45, 1.58, 28.78 ppm; 2.89 A): 2 out of 40 assignments used, quality = 1.00: * HG2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 2.8=100 HG2 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 2.8=100 HG2 LYS 65 - HD3 LYS 14 OK 43 100 - 44 - 2943=6, 2943/1.8=4...(17) HG2 LYS 65 - HD2 LYS 14 OK 43 99 - 44 - 2943=6, 2943/1.8=4...(17) HG LEU 12 - HD3 LYS 65 OK 25 86 - 30 - 2.1/1189=3, 2.1/1196=2...(15) HG LEU 12 - HD2 LYS 65 OK 25 87 - 29 - 2.1/1189=2, 2.1/1196=2...(14) HB3 LEU 76 - HD2 LYS 65 OK 16 89 - 18 - 2921/3.5=2, 2931/3.5=2...(5) HB3 LEU 76 - HD3 LYS 65 OK 16 88 - 18 - 2921/3.5=2, 2931/3.5=2...(5) HG3 LYS 78 - HD2 LYS 65 OK 15 97 - 16 - 3.7/5813=2, 2921/3.5=2...(4) HG3 LYS 78 - HD3 LYS 65 OK 15 96 - 16 - 3.7/5813=2, 2921/3.5=2...(4) HB3 LYS 64 - HD3 LYS 65 OK 13 99 - 13 - 4.6/817=2, 2921/3.5=1...(5) HB3 LYS 64 - HD2 LYS 65 OK 13 100 - 13 - 4.6/817=2, 2921/3.5=1...(5) HD2 LYS 44 - HD2 LYS 65 poor 9 71 - 13 - 6166/4.6=1 HD2 LYS 44 - HD3 LYS 65 poor 9 70 - 13 - 6166/4.6=1 HG LEU 12 - HD3 LYS 14 lone 8 86 - 9 - HG LEU 12 - HD2 LYS 14 lone 8 85 - 10 - HD2 LYS 64 - HD2 LYS 65 lone 7 97 - 7 - HD2 LYS 64 - HD3 LYS 65 lone 7 97 - 7 - HB3 LEU 76 - HD3 LYS 14 lone 6 87 - 7 - ~6207=1, ~6206=1 HB3 LEU 76 - HD2 LYS 14 lone 6 87 - 7 - ~6207=1, ~6206=1 HD2 LYS 44 - HD3 LYS 14 lone 4 70 - 6 - HD2 LYS 44 - HD2 LYS 14 lone 4 69 - 6 - HG2 ARG 27 - HD2 LYS 65 lone 3 63 - 5 - HG2 ARG 27 - HD3 LYS 65 lone 3 62 - 5 - HB3 ARG 45 - HD2 LYS 65 lone 3 99 - 3 - HB3 ARG 45 - HD3 LYS 65 lone 3 98 - 3 - HB3 LYS 64 - HD3 LYS 14 lone 2 99 - 2 - 4.6/817=1 HB3 LYS 64 - HD2 LYS 14 lone 2 99 - 2 - 4.6/817=1 HB3 LEU 34 - HD2 LYS 65 lone 2 73 - 3 - HB3 LEU 34 - HD3 LYS 65 lone 2 73 - 3 - HG3 LYS 78 - HD3 LYS 14 lone 1 96 - 1 - HG3 LYS 78 - HD2 LYS 14 lone 1 95 - 1 - HB3 LEU 34 - HD3 LYS 14 lone 1 72 - 1 - HB3 LEU 34 - HD2 LYS 14 lone 1 71 - 1 - HD2 LYS 64 - HD3 LYS 14 lone 1 96 - 1 - HD2 LYS 64 - HD2 LYS 14 lone 1 96 - 1 - HB3 ARG 45 - HD3 LYS 14 lone 1 98 - 1 - HB3 ARG 45 - HD2 LYS 14 lone 1 97 - 1 - HG2 ARG 27 - HD3 LYS 14 lone 0 62 - 1 - HG2 ARG 27 - HD2 LYS 14 lone 0 61 - 1 - Peak 2962 from cnoeabs.peaks (1.26, 1.58, 28.78 ppm; 3.16 A): 4 out of 32 assignments used, quality = 1.00: * HG3 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 2.8=100 HG3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 2.8=100 HG3 LYS 65 + HD3 LYS 14 OK 50 100 - 51 - 2953=6, 1.8/2943=5...(25) HG3 LYS 65 + HD2 LYS 14 OK 50 99 - 51 - 2953=6, 1.8/2943=5...(25) HG3 LYS 17 - HD2 LYS 65 OK 34 99 - 35 - 2942/2.8=4, 2922/3.5=3...(14) HG3 LYS 17 - HD3 LYS 65 OK 34 99 - 35 - 2942/2.8=4, 2922/3.5=3...(14) HG2 LYS 17 - HD2 LYS 65 OK 23 71 - 33 - 2942/2.8=3, 1364/2.8=2...(14) HG2 LYS 17 - HD3 LYS 65 OK 23 70 - 33 - 2942/2.8=3, 1364/2.8=2...(14) HB3 LYS 68 - HD2 LYS 65 OK 20 60 - 33 - 4179/4.6=3, 3045/1.8=2...(13) HB3 LYS 68 - HD3 LYS 65 OK 20 60 - 33 - 4179/4.6=3, 3045=2...(12) HG3 LYS 56 - HD2 LYS 65 OK 17 90 - 19 - 2942/2.8=2, 2948/4.6=2...(8) HG3 LYS 56 - HD3 LYS 65 OK 17 90 - 19 - 2942/2.8=2, 2948/4.6=2...(8) HB2 LEU 79 - HD2 LYS 65 OK 14 96 - 14 - 2942/2.8=2, 2922/3.5=1...(5) HB2 LEU 79 - HD3 LYS 65 OK 14 95 - 14 - 2942/2.8=2, 2922/3.5=1...(5) HB3 LEU 23 - HD2 LYS 65 OK 13 100 - 13 - 4477/3.5=2, 2942/2.8=2 HB3 LEU 23 - HD3 LYS 65 OK 13 100 - 13 - 4477/3.5=2, 2942/2.8=2 HD3 LYS 44 - HD2 LYS 65 poor 10 65 - 15 - 2942/2.8=1 HD3 LYS 44 - HD3 LYS 65 poor 10 65 - 15 - 2942/2.8=1 HB3 LYS 68 - HD3 LYS 14 poor 7 59 - 12 - HB3 LYS 68 - HD2 LYS 14 poor 7 58 - 12 - HD3 LYS 44 - HD3 LYS 14 lone 5 64 - 8 - HD3 LYS 44 - HD2 LYS 14 lone 5 64 - 8 - HB3 LEU 23 - HD3 LYS 14 lone 2 99 - 2 - HB3 LEU 23 - HD2 LYS 14 lone 2 99 - 2 - HG3 LYS 17 - HD3 LYS 14 lone 2 98 - 2 - HG3 LYS 17 - HD2 LYS 14 lone 2 98 - 2 - HB2 LEU 79 - HD3 LYS 14 lone 2 95 - 2 - HB2 LEU 79 - HD2 LYS 14 lone 2 94 - 2 - HG3 LYS 56 - HD3 LYS 14 lone 2 89 - 2 - HG3 LYS 56 - HD2 LYS 14 lone 2 89 - 2 - HG2 LYS 17 - HD3 LYS 14 lone 1 70 - 2 - HG2 LYS 17 - HD2 LYS 14 lone 1 69 - 2 - Peak 2963 from cnoeabs.peaks (1.58, 1.58, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 HD3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 HD3 LYS 14 + HD3 LYS 14 OK 99 99 - 100 HD2 LYS 14 + HD2 LYS 14 OK 98 98 - 100 Peak 2964 from cnoeabs.peaks (1.58, 1.58, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 HD3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 HD3 LYS 14 + HD3 LYS 14 OK 100 100 - 100 HD2 LYS 14 + HD2 LYS 14 OK 99 99 - 100 Reference assignment not found: HD3 LYS 65 - HD2 LYS 65 Peak 2965 from cnoeabs.peaks (2.88, 1.58, 28.78 ppm; 2.74 A): 6 out of 44 assignments used, quality = 1.00: * HE2 LYS 65 + HD2 LYS 65 OK 90 100 - 90 - 3.0=80, 2983/1.8=5...(27) HE2 LYS 65 + HD3 LYS 65 OK 90 100 - 90 - 3.0=80, 2983/1.8=5...(27) HE3 LYS 65 + HD2 LYS 65 OK 90 100 - 90 - 3.0=80, 1.8/2983=5...(26) HE3 LYS 65 + HD3 LYS 65 OK 89 100 - 90 - 3.0=80, 1.8/2983=5...(26) HE3 LYS 14 + HD3 LYS 14 OK 50 59 - 85 - 3.0=78, 1.8/1289=4...(17) HE3 LYS 14 + HD2 LYS 14 OK 50 58 - 85 - 3.0=78, 1.8/1289=4...(17) HE2 LYS 65 - HD3 LYS 14 OK 24 100 - 24 - 3.8/2943=2, 2983=2...(6) HE2 LYS 65 - HD2 LYS 14 OK 24 99 - 24 - 3.8/2943=2, 2983=2...(6) HE3 LYS 65 - HD3 LYS 14 OK 21 99 - 22 - 3.8/2943=2, 3.8/2953=2...(6) HE3 LYS 65 - HD2 LYS 14 OK 21 99 - 22 - 3.8/2943=2, 3.8/2953=2...(6) HE3 LYS 14 - HD2 LYS 65 OK 15 60 - 26 - 3.9/1260=2, 2946/2.8=1...(6) HE3 LYS 14 - HD3 LYS 65 OK 15 60 - 26 - 3.9/1260=2, 2946/2.8=1...(6) HE3 LYS 17 - HD2 LYS 65 poor 9 71 - 13 - 2945/2.8=1 HE3 LYS 17 - HD3 LYS 65 poor 9 70 - 13 - 2945/2.8=1 HB3 ASN 63 - HD2 LYS 65 lone 6 85 - 6 - 5410/6.2=1 HB3 ASN 63 - HD3 LYS 65 lone 5 84 - 7 - 5410/6.2=1 HB3 PHE 80 - HD2 LYS 65 lone 5 60 - 8 - HB3 PHE 80 - HD3 LYS 65 lone 5 60 - 8 - HB3 ASN 18 - HD2 LYS 65 lone 3 81 - 3 - HB3 ASN 18 - HD3 LYS 65 lone 3 80 - 3 - HB2 ASN 18 - HD2 LYS 65 lone 2 78 - 3 - HB2 ASN 18 - HD3 LYS 65 lone 2 78 - 3 - HB3 ASN 24 - HD2 LYS 65 lone 2 73 - 3 - HB3 ASN 24 - HD3 LYS 65 lone 2 73 - 3 - HB3 ASN 63 - HD3 LYS 14 lone 2 84 - 2 - HB3 ASN 63 - HD2 LYS 14 lone 2 83 - 2 - HB3 TYR 32 - HD3 LYS 65 lone 2 70 - 3 - HB3 TYR 32 - HD2 LYS 65 lone 2 71 - 3 - HB3 ASN 24 - HD3 LYS 14 lone 1 72 - 2 - HB3 ASN 24 - HD2 LYS 14 lone 1 71 - 2 - HB2 ASP 53 - HD2 LYS 65 lone 1 90 - 1 - HB2 ASP 53 - HD3 LYS 65 lone 1 90 - 1 - HB3 PHE 80 - HD3 LYS 14 lone 1 59 - 2 - HB3 PHE 80 - HD2 LYS 14 lone 1 58 - 2 - HB3 ASN 18 - HD3 LYS 14 lone 1 79 - 1 - HB3 ASN 18 - HD2 LYS 14 lone 1 79 - 1 - HB2 ASN 18 - HD3 LYS 14 lone 1 77 - 1 - HB2 ASN 18 - HD2 LYS 14 lone 1 76 - 1 - HB3 TYR 32 - HD3 LYS 14 lone 1 70 - 1 - HB3 TYR 32 - HD2 LYS 14 lone 1 69 - 1 - HB2 ASP 53 - HD3 LYS 14 lone 1 89 - 1 - HB2 ASP 53 - HD2 LYS 14 lone 1 89 - 1 - HE3 LYS 17 - HD3 LYS 14 lone 1 70 - 1 - HE3 LYS 17 - HD2 LYS 14 lone 1 69 - 1 - Peak 2966 from cnoeabs.peaks (2.88, 1.58, 28.78 ppm; 2.74 A): 8 out of 52 assignments used, quality = 1.00: HE2 LYS 65 + HD2 LYS 65 OK 90 100 - 90 - 3.0=80, 2983/1.8=5...(27) * HE3 LYS 65 + HD2 LYS 65 OK 90 100 - 90 - 3.0=80, 1.8/2983=5...(26) HE3 LYS 65 + HD3 LYS 65 OK 90 100 - 90 - 3.0=80, 1.8/2983=5...(26) HE2 LYS 65 + HD3 LYS 65 OK 90 100 - 90 - 3.0=80, 2983/1.8=5...(27) HE3 LYS 14 + HD3 LYS 14 OK 59 70 - 85 - 3.0=78, 1.8/1289=4...(17) HE3 LYS 14 + HD2 LYS 14 OK 59 69 - 85 - 3.0=78, 1.8/1289=4...(17) HE2 LYS 14 + HD3 LYS 14 OK 53 62 - 86 - 3.0=78, 1.8/1289=4...(19) HE2 LYS 14 + HD2 LYS 14 OK 52 61 - 86 - 3.0=78, 1.8/1289=4...(19) HE2 LYS 65 - HD3 LYS 14 OK 24 99 - 25 - 3.8/2943=2, 2983=2...(6) HE2 LYS 65 - HD2 LYS 14 OK 24 99 - 25 - 3.8/2943=2, 2983=2...(6) HE3 LYS 65 - HD3 LYS 14 OK 22 100 - 22 - 3.8/2943=2, 3.8/2953=2...(6) HE3 LYS 65 - HD2 LYS 14 OK 22 99 - 22 - 3.8/2943=2, 3.8/2953=2...(6) HE3 LYS 14 - HD2 LYS 65 OK 18 71 - 26 - 3.9/1260=2, 2946/2.8=1...(6) HE2 LYS 14 - HD2 LYS 65 OK 18 63 - 29 - 3.9/1260=2, 2946/2.8=1...(6) HE3 LYS 14 - HD3 LYS 65 OK 18 70 - 26 - 3.9/1260=2, 2946/2.8=1...(6) HE2 LYS 14 - HD3 LYS 65 OK 18 62 - 29 - 3.9/1260=2, 2946/2.8=1...(6) HE3 LYS 17 - HD2 LYS 65 poor 8 60 - 13 - 2945/2.8=1 HE3 LYS 17 - HD3 LYS 65 poor 8 60 - 13 - 2945/2.8=1 HB3 PHE 80 - HD2 LYS 65 lone 5 71 - 8 - HB3 PHE 80 - HD3 LYS 65 lone 5 70 - 8 - HB3 ASN 63 - HD2 LYS 65 lone 5 76 - 6 - 5410/6.2=1 HB3 ASN 63 - HD3 LYS 65 lone 5 75 - 6 - 5410/6.2=1 HB2 ASN 63 - HD2 LYS 65 lone 4 60 - 6 - HB2 ASN 63 - HD3 LYS 65 lone 4 60 - 6 - HB3 ASN 18 - HD2 LYS 65 lone 2 71 - 3 - HB3 ASN 18 - HD3 LYS 65 lone 2 70 - 3 - HB2 ASN 18 - HD2 LYS 65 lone 2 68 - 3 - HB2 ASN 18 - HD3 LYS 65 lone 2 68 - 3 - HB3 ASN 24 - HD2 LYS 65 lone 2 63 - 3 - HB3 ASN 24 - HD3 LYS 65 lone 2 62 - 3 - HB3 ASN 63 - HD3 LYS 14 lone 2 75 - 2 - HB3 ASN 63 - HD2 LYS 14 lone 2 74 - 2 - HB2 ASP 53 - HD2 LYS 65 lone 1 96 - 2 - HB2 ASP 53 - HD3 LYS 65 lone 1 95 - 1 - HB3 TYR 32 - HD2 LYS 65 lone 1 60 - 2 - HB3 TYR 32 - HD3 LYS 65 lone 1 60 - 2 - HB3 PHE 80 - HD3 LYS 14 lone 1 70 - 2 - HB3 PHE 80 - HD2 LYS 14 lone 1 69 - 2 - HB3 ASN 24 - HD3 LYS 14 lone 1 62 - 2 - HB3 ASN 24 - HD2 LYS 14 lone 1 61 - 2 - HB2 ASN 63 - HD3 LYS 14 lone 1 59 - 1 - HB2 ASN 63 - HD2 LYS 14 lone 1 58 - 1 - HB2 ASP 53 - HD3 LYS 14 lone 1 95 - 1 - HB2 ASP 53 - HD2 LYS 14 lone 1 94 - 1 - HB3 ASN 18 - HD3 LYS 14 lone 1 70 - 1 - HB3 ASN 18 - HD2 LYS 14 lone 1 69 - 1 - HB2 ASN 18 - HD3 LYS 14 lone 1 67 - 1 - HB2 ASN 18 - HD2 LYS 14 lone 1 66 - 1 - HB3 TYR 32 - HD3 LYS 14 lone 0 59 - 1 - HB3 TYR 32 - HD2 LYS 14 lone 0 58 - 1 - HE3 LYS 17 - HD3 LYS 14 lone 0 59 - 1 - HE3 LYS 17 - HD2 LYS 14 lone 0 58 - 1 - Peak 2967 from cnoeabs.peaks (7.85, 1.58, 28.78 ppm; 4.72 A): 6 out of 16 assignments used, quality = 1.00: * H LYS 65 + HD3 LYS 65 OK 94 100 - 94 - 6.2=45, 814/3.5=24...(21) H LYS 65 + HD2 LYS 65 OK 94 100 - 94 - 6.2=45, 814/3.5=24...(21) H LEU 12 + HD3 LYS 65 OK 57 97 - 60 - 2937/2.8=11, 2917/3.5=8...(17) H LEU 12 + HD2 LYS 65 OK 56 96 - 59 - 2937/2.8=11, 2917/3.5=8...(17) H LYS 65 + HD3 LYS 14 OK 48 100 - 48 - 2.9/2913=5, 817=5...(18) H LYS 65 + HD2 LYS 14 OK 48 100 - 48 - 2.9/2913=5, 817=5...(18) H PHE 80 - HD3 LYS 65 OK 27 87 - 31 - 2937/2.8=6, 2917/3.5=6...(7) H PHE 80 - HD2 LYS 65 OK 27 86 - 31 - 2937/2.8=6, 2917/3.5=6...(7) H LEU 12 - HD2 LYS 14 OK 15 96 - 16 - 523/1.8=2, 3.0/1161=2...(8) H LEU 12 - HD3 LYS 14 OK 15 96 - 16 - 523/1.8=2, 3.0/1161=2...(8) HD21 ASN 24 - HD3 LYS 65 OK 12 71 - 17 - 2937/2.8=2, 2917/3.5=2...(5) HD21 ASN 24 - HD2 LYS 65 OK 12 70 - 17 - 2937/2.8=2, 2917/3.5=2...(5) H PHE 80 - HD3 LYS 14 lone 7 87 - 8 - 900/3.0=1, 900/3.0=1 H PHE 80 - HD2 LYS 14 lone 7 86 - 8 - 900/3.0=1, 900/3.0=1 HD21 ASN 24 - HD3 LYS 14 lone 5 71 - 7 - HD21 ASN 24 - HD2 LYS 14 lone 5 70 - 7 - Peak 2968 from cnoeabs.peaks (3.74, 1.58, 28.78 ppm; 4.53 A): 4 out of 16 assignments used, quality = 1.00: * HA LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 4.6=94, 2912/2.8=16...(39) HA LYS 65 + HD2 LYS 65 OK 99 100 - 100 - 4.6=94, 2912/2.8=16...(39) HA LYS 65 + HD3 LYS 14 OK 62 100 - 62 - 2913=6, 2913/1.8=6...(31) HA LYS 65 + HD2 LYS 14 OK 62 100 - 62 - 2913=6, 2913/1.8=6...(31) HB2 SER 36 - HD3 LYS 65 OK 20 89 - 22 - 2938/2.8=5, 2918/3.5=4...(7) HB2 SER 36 - HD2 LYS 65 OK 20 88 - 22 - 2938/2.8=5, 2918/3.5=4...(7) HB2 SER 36 - HD3 LYS 14 OK 17 88 - 19 - ~4764=6, 4758/3.0=5...(4) HB2 SER 36 - HD2 LYS 14 OK 17 88 - 19 - ~4764=6, 4758/3.0=5...(4) HA2 GLY 39 - HD3 LYS 65 OK 13 87 - 15 - 2938/2.8=3, 2918/3.5=3...(4) HA2 GLY 39 - HD2 LYS 65 OK 13 86 - 14 - 2938/2.8=3, 2918/3.5=3...(4) HA2 GLY 39 - HD2 LYS 14 lone 3 86 - 3 - HA2 GLY 39 - HD3 LYS 14 lone 3 87 - 3 - HA2 GLY 40 - HD3 LYS 65 lone 2 57 - 4 - HA2 GLY 40 - HD2 LYS 65 lone 2 57 - 4 - HA2 GLY 40 - HD3 LYS 14 lone 1 57 - 1 - HA2 GLY 40 - HD2 LYS 14 lone 1 57 - 1 - Peak 2969 from cnoeabs.peaks (1.79, 1.58, 28.78 ppm; 3.64 A): 4 out of 68 assignments used, quality = 1.00: * HB2 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 3.5=100 HB2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 3.5=100 HB2 LYS 65 + HD3 LYS 14 OK 64 100 - 64 - 2923=7, 2923/1.8=5...(35) HB2 LYS 65 + HD2 LYS 14 OK 64 100 - 64 - 2923=7, 2923/1.8=5...(35) HB2 MET 48 - HD3 LYS 65 OK 35 99 - 36 - 2419/3.5=3, 2939/2.8=3...(18) HB2 MET 48 - HD2 LYS 65 OK 35 99 - 36 - 2419/3.5=3, 2939/2.8=3...(18) HG LEU 76 - HD3 LYS 65 OK 23 83 - 28 - 6171/2.8=3, 2939/2.8=3...(13) HG LEU 76 - HD2 LYS 65 OK 23 82 - 28 - 6171/2.8=3, 2939/2.8=3...(13) HB2 LYS 91 - HD3 LYS 14 OK 22 100 - 23 - 3708/4.9=3, 3713/3.6=3...(9) HB2 LYS 91 - HD2 LYS 14 OK 22 99 - 23 - 3708/4.9=3, 3713/3.6=3...(9) HD3 LYS 78 - HD2 LYS 65 OK 22 100 - 22 - 4.7/5813=3, 2939/2.8=3...(7) HD3 LYS 78 - HD3 LYS 65 OK 22 100 - 22 - 2939/2.8=3, 4.7/5813=3...(7) HG LEU 76 - HD3 LYS 14 OK 12 83 - 14 - ~6207=4, ~6206=3...(5) HG LEU 76 - HD2 LYS 14 OK 12 82 - 14 - ~6207=4, ~6206=3...(5) HB2 LYS 44 - HD3 LYS 65 OK 10 65 - 16 - 2939/2.8=1 HB2 LYS 44 - HD2 LYS 65 OK 10 65 - 16 - 2939/2.8=1 HG3 GLU 37 - HD3 LYS 65 lone 9 100 - 9 - HG3 GLU 37 - HD2 LYS 65 lone 9 100 - 9 - HB2 ARG 27 - HD3 LYS 65 lone 9 96 - 9 - 2939/2.8=1 HB2 ARG 27 - HD2 LYS 65 lone 9 95 - 9 - 2939/2.8=1 HB2 MET 48 - HD2 LYS 14 lone 9 99 - 9 - HB2 MET 48 - HD3 LYS 14 lone 9 99 - 9 - HG2 GLU 51 - HD3 LYS 65 lone 7 83 - 8 - HG3 GLU 51 - HD3 LYS 65 lone 7 81 - 8 - HG2 GLU 51 - HD2 LYS 65 lone 6 82 - 8 - HG3 GLU 51 - HD2 LYS 65 lone 6 80 - 8 - HB2 LYS 44 - HD3 LYS 14 lone 6 65 - 9 - QE MET 11 - HD3 LYS 65 lone 6 85 - 7 - 4245/2.8=3 HB2 LYS 44 - HD2 LYS 14 lone 6 65 - 9 - QE MET 11 - HD2 LYS 65 lone 6 84 - 7 - 4245/2.8=3 HB2 GLU 37 - HD3 LYS 65 lone 6 63 - 9 - HB2 GLU 37 - HD2 LYS 65 lone 6 62 - 9 - HB3 GLU 33 - HD3 LYS 65 lone 5 65 - 8 - HB3 GLU 33 - HD2 LYS 65 lone 5 65 - 8 - HB2 LYS 91 - HD3 LYS 65 lone 5 100 - 5 - HB2 LYS 91 - HD2 LYS 65 lone 5 99 - 5 - QB ALA 74 - HD3 LYS 65 lone 5 96 - 5 - QB ALA 74 - HD2 LYS 65 lone 5 95 - 5 - HB2 ARG 28 - HD3 LYS 65 lone 4 100 - 4 - HB2 ARG 28 - HD2 LYS 65 lone 4 100 - 4 - HB2 LYS 31 - HD3 LYS 65 lone 4 100 - 4 - HB2 LYS 31 - HD2 LYS 65 lone 4 100 - 4 - HB3 ARG 28 - HD3 LYS 65 lone 3 81 - 4 - HB3 ARG 28 - HD2 LYS 65 lone 3 80 - 4 - HB2 ARG 28 - HD3 LYS 14 lone 3 100 - 2 - HB2 ARG 28 - HD2 LYS 14 lone 3 100 - 2 - HG3 GLU 37 - HD2 LYS 14 lone 2 100 - 2 - HG3 GLU 37 - HD3 LYS 14 lone 2 100 - 2 - HB3 GLU 33 - HD3 LYS 14 lone 2 65 - 3 - ~4652=2 HB3 GLU 33 - HD2 LYS 14 lone 2 65 - 3 - ~4652=2 HD3 LYS 78 - HD3 LYS 14 lone 2 100 - 2 - HD3 LYS 78 - HD2 LYS 14 lone 2 100 - 2 - HB3 ARG 28 - HD3 LYS 14 lone 2 80 - 2 - HB3 ARG 28 - HD2 LYS 14 lone 2 80 - 2 - HB2 LYS 31 - HD2 LYS 14 lone 2 100 - 2 - HB2 LYS 31 - HD3 LYS 14 lone 2 100 - 2 - HB2 ARG 27 - HD3 LYS 14 lone 1 95 - 2 - HB2 ARG 27 - HD2 LYS 14 lone 1 95 - 2 - HB2 GLU 37 - HD3 LYS 14 lone 1 63 - 2 - HB2 GLU 37 - HD2 LYS 14 lone 1 62 - 2 - QB ALA 74 - HD3 LYS 14 lone 1 95 - 1 - QB ALA 74 - HD2 LYS 14 lone 1 95 - 1 - QE MET 11 - HD3 LYS 14 lone 1 85 - 1 - QE MET 11 - HD2 LYS 14 lone 1 84 - 1 - HG2 GLU 51 - HD3 LYS 14 lone 1 83 - 1 - HG2 GLU 51 - HD2 LYS 14 lone 1 82 - 1 - HG3 GLU 51 - HD3 LYS 14 lone 1 80 - 1 - HG3 GLU 51 - HD2 LYS 14 lone 1 80 - 1 - Peak 2970 from cnoeabs.peaks (1.74, 1.58, 28.78 ppm; 3.44 A): 4 out of 24 assignments used, quality = 1.00: * HB3 LYS 65 + HD3 LYS 65 OK 99 100 - 99 - 3.5=97, 3.0/2913=6...(31) HB3 LYS 65 + HD2 LYS 65 OK 99 100 - 99 - 3.5=97, 3.0/2913=6...(31) HB3 LYS 65 + HD3 LYS 14 OK 59 100 - 59 - 2933=6, 1.8/2923=5...(30) HB3 LYS 65 + HD2 LYS 14 OK 59 100 - 59 - 2933=6, 1.8/2923=5...(30) HB2 LYS 17 - HD3 LYS 65 OK 39 93 - 42 - 2940/2.8=4, 2920/3.5=4...(18) HB2 LYS 17 - HD2 LYS 65 OK 39 93 - 42 - 2940/2.8=4, 2920/3.5=4...(18) HB3 LYS 17 - HD3 LYS 65 OK 38 92 - 42 - 2940/2.8=4, 2920/3.5=3...(18) HB3 LYS 17 - HD2 LYS 65 OK 38 91 - 42 - 2940/2.8=4, 2920/3.5=3...(18) HB3 MET 48 - HD3 LYS 65 OK 29 90 - 32 - 2940/2.8=3, 3.0/4896=3...(14) HB3 MET 48 - HD2 LYS 65 OK 29 90 - 32 - 2940/2.8=3, 3.0/4896=3...(14) HB3 GLN 55 - HD3 LYS 65 OK 21 93 - 22 - 2928/4.6=3, 2940/2.8=3...(8) HB3 GLN 55 - HD2 LYS 65 OK 21 93 - 22 - 2928/4.6=3, 2940/2.8=3...(8) HB3 MET 48 - HD3 LYS 14 lone 7 90 - 8 - HB3 MET 48 - HD2 LYS 14 lone 7 90 - 8 - HB2 LEU 73 - HD3 LYS 65 lone 6 87 - 6 - HB2 LEU 73 - HD2 LYS 65 lone 6 86 - 6 - HB2 LEU 73 - HD3 LYS 14 lone 3 87 - 4 - HB2 LEU 73 - HD2 LYS 14 lone 3 86 - 4 - HB2 LYS 17 - HD3 LYS 14 lone 3 93 - 3 - HB2 LYS 17 - HD2 LYS 14 lone 3 93 - 3 - HB3 LYS 17 - HD3 LYS 14 lone 3 92 - 3 - HB3 LYS 17 - HD2 LYS 14 lone 3 91 - 3 - HB3 GLN 55 - HD3 LYS 14 lone 2 93 - 2 - HB3 GLN 55 - HD2 LYS 14 lone 2 93 - 2 - Peak 2971 from cnoeabs.peaks (1.45, 1.58, 28.78 ppm; 2.89 A): 2 out of 40 assignments used, quality = 1.00: * HG2 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 2.8=100 HG2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 2.8=100 HG2 LYS 65 - HD3 LYS 14 OK 44 100 - 44 - 2943=6, 2943/1.8=4...(17) HG2 LYS 65 - HD2 LYS 14 OK 44 100 - 44 - 2943=6, 2943/1.8=4...(17) HG LEU 12 - HD3 LYS 65 OK 26 87 - 30 - 2.1/1189=3, 2.1/1196=2...(15) HG LEU 12 - HD2 LYS 65 OK 26 86 - 30 - 2.1/1189=2, 2.1/1196=2...(14) HB3 LEU 76 - HD3 LYS 65 OK 16 89 - 18 - 2921/3.5=2, 2931/3.5=2...(5) HB3 LEU 76 - HD2 LYS 65 OK 16 88 - 18 - 2921/3.5=2, 2931/3.5=2...(5) HG3 LYS 78 - HD3 LYS 65 OK 15 97 - 16 - 3.7/5813=2, 2921/3.5=2...(4) HG3 LYS 78 - HD2 LYS 65 OK 15 96 - 16 - 3.7/5813=2, 2921/3.5=2...(4) HB3 LYS 64 - HD3 LYS 65 OK 13 100 - 13 - 4.6/817=2, 2921/3.5=1...(5) HB3 LYS 64 - HD2 LYS 65 OK 13 99 - 13 - 4.6/817=2, 2921/3.5=1...(5) HD2 LYS 44 - HD3 LYS 65 poor 9 71 - 13 - 6166/4.6=1 HD2 LYS 44 - HD2 LYS 65 poor 9 70 - 13 - 6166/4.6=1 HG LEU 12 - HD2 LYS 14 lone 9 86 - 10 - HG LEU 12 - HD3 LYS 14 lone 9 87 - 10 - HD2 LYS 64 - HD3 LYS 65 lone 7 97 - 7 - HD2 LYS 64 - HD2 LYS 65 lone 7 97 - 7 - HB3 LEU 76 - HD3 LYS 14 lone 6 88 - 7 - ~6207=1, ~6206=1 HB3 LEU 76 - HD2 LYS 14 lone 6 88 - 7 - ~6207=1, ~6206=1 HD2 LYS 44 - HD3 LYS 14 lone 5 71 - 6 - HD2 LYS 44 - HD2 LYS 14 lone 4 70 - 6 - HG2 ARG 27 - HD3 LYS 65 lone 3 63 - 5 - HG2 ARG 27 - HD2 LYS 65 lone 3 62 - 5 - HB3 ARG 45 - HD3 LYS 65 lone 3 99 - 3 - HB3 ARG 45 - HD2 LYS 65 lone 3 98 - 3 - HB3 LYS 64 - HD3 LYS 14 lone 2 100 - 2 - 4.6/817=1 HB3 LYS 64 - HD2 LYS 14 lone 2 99 - 2 - 4.6/817=1 HB3 LEU 34 - HD3 LYS 65 lone 2 73 - 3 - HB3 LEU 34 - HD2 LYS 65 lone 2 73 - 3 - HG3 LYS 78 - HD3 LYS 14 lone 1 96 - 1 - HG3 LYS 78 - HD2 LYS 14 lone 1 96 - 1 - HB3 LEU 34 - HD3 LYS 14 lone 1 73 - 1 - HB3 LEU 34 - HD2 LYS 14 lone 1 73 - 1 - HD2 LYS 64 - HD3 LYS 14 lone 1 97 - 1 - HD2 LYS 64 - HD2 LYS 14 lone 1 97 - 1 - HB3 ARG 45 - HD3 LYS 14 lone 1 99 - 1 - HB3 ARG 45 - HD2 LYS 14 lone 1 98 - 1 - HG2 ARG 27 - HD3 LYS 14 lone 0 63 - 1 - HG2 ARG 27 - HD2 LYS 14 lone 0 62 - 1 - Peak 2972 from cnoeabs.peaks (1.26, 1.58, 28.78 ppm; 3.16 A): 4 out of 32 assignments used, quality = 1.00: * HG3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 - 2.8=100 HG3 LYS 65 + HD2 LYS 65 OK 100 100 - 100 - 2.8=100 HG3 LYS 65 + HD3 LYS 14 OK 50 100 - 51 - 2953=6, 1.8/2943=5...(25) HG3 LYS 65 + HD2 LYS 14 OK 50 100 - 51 - 2953=6, 1.8/2943=5...(25) HG3 LYS 17 - HD3 LYS 65 OK 34 99 - 35 - 2942/2.8=4, 2922/3.5=3...(14) HG3 LYS 17 - HD2 LYS 65 OK 34 99 - 35 - 2942/2.8=4, 2922/3.5=3...(14) HG2 LYS 17 - HD3 LYS 65 OK 23 71 - 33 - 2942/2.8=3, 1364/2.8=2...(14) HG2 LYS 17 - HD2 LYS 65 OK 23 70 - 33 - 2942/2.8=3, 1364/2.8=2...(14) HB3 LYS 68 - HD3 LYS 65 OK 20 60 - 34 - 4179/4.6=3, 3045=2...(12) HB3 LYS 68 - HD2 LYS 65 OK 20 60 - 34 - 4179/4.6=3, 3045/1.8=2...(14) HG3 LYS 56 - HD3 LYS 65 OK 17 90 - 19 - 2942/2.8=2, 2948/4.6=2...(8) HG3 LYS 56 - HD2 LYS 65 OK 17 90 - 19 - 2942/2.8=2, 2948/4.6=2...(8) HB2 LEU 79 - HD3 LYS 65 OK 14 96 - 14 - 2942/2.8=2, 2922/3.5=1...(5) HB2 LEU 79 - HD2 LYS 65 OK 14 95 - 14 - 2942/2.8=2, 2922/3.5=1...(5) HB3 LEU 23 - HD3 LYS 65 OK 13 100 - 13 - 4477/3.5=2, 2942/2.8=2 HB3 LEU 23 - HD2 LYS 65 OK 13 100 - 13 - 4477/3.5=2, 2942/2.8=2 HD3 LYS 44 - HD3 LYS 65 poor 10 65 - 15 - 2942/2.8=1 HD3 LYS 44 - HD2 LYS 65 poor 10 65 - 15 - 2942/2.8=1 HB3 LYS 68 - HD3 LYS 14 poor 8 60 - 12 - HB3 LYS 68 - HD2 LYS 14 poor 8 60 - 12 - HD3 LYS 44 - HD3 LYS 14 lone 5 65 - 8 - HD3 LYS 44 - HD2 LYS 14 lone 5 65 - 8 - HB3 LEU 23 - HD2 LYS 14 lone 3 100 - 2 - HB3 LEU 23 - HD3 LYS 14 lone 3 100 - 2 - HG3 LYS 17 - HD3 LYS 14 lone 2 99 - 2 - HG3 LYS 17 - HD2 LYS 14 lone 2 99 - 2 - HB2 LEU 79 - HD2 LYS 14 lone 2 95 - 2 - HB2 LEU 79 - HD3 LYS 14 lone 2 95 - 2 - HG3 LYS 56 - HD3 LYS 14 lone 2 90 - 2 - HG3 LYS 56 - HD2 LYS 14 lone 2 90 - 2 - HG2 LYS 17 - HD3 LYS 14 lone 1 71 - 2 - HG2 LYS 17 - HD2 LYS 14 lone 1 70 - 2 - Peak 2973 from cnoeabs.peaks (1.58, 1.58, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 HD3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 HD3 LYS 14 + HD3 LYS 14 OK 100 100 - 100 HD2 LYS 14 + HD2 LYS 14 OK 99 99 - 100 Reference assignment not found: HD2 LYS 65 - HD3 LYS 65 Peak 2974 from cnoeabs.peaks (1.58, 1.58, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 HD3 LYS 14 + HD3 LYS 14 OK 100 100 - 100 HD2 LYS 14 + HD2 LYS 14 OK 100 100 - 100 HD2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 Peak 2975 from cnoeabs.peaks (2.88, 1.58, 28.78 ppm; 2.74 A): 6 out of 44 assignments used, quality = 1.00: * HE2 LYS 65 + HD3 LYS 65 OK 90 100 - 90 - 3.0=80, 2983/1.8=5...(27) HE2 LYS 65 + HD2 LYS 65 OK 90 100 - 90 - 3.0=80, 2983/1.8=5...(27) HE3 LYS 65 + HD3 LYS 65 OK 90 100 - 90 - 3.0=80, 1.8/2983=5...(26) HE3 LYS 65 + HD2 LYS 65 OK 89 100 - 90 - 3.0=80, 1.8/2983=5...(26) HE3 LYS 14 + HD3 LYS 14 OK 51 60 - 85 - 3.0=78, 1.8/1289=4...(17) HE3 LYS 14 + HD2 LYS 14 OK 51 60 - 85 - 3.0=78, 1.8/1289=4...(17) HE2 LYS 65 - HD3 LYS 14 OK 24 100 - 24 - 3.8/2943=2, 2983=2...(6) HE2 LYS 65 - HD2 LYS 14 OK 24 100 - 24 - 3.8/2943=2, 2983=2...(6) HE3 LYS 65 - HD3 LYS 14 OK 21 100 - 22 - 3.8/2943=2, 3.8/2953=2...(6) HE3 LYS 65 - HD2 LYS 14 OK 21 100 - 22 - 3.8/2943=2, 3.8/2953=2...(6) HE3 LYS 14 - HD3 LYS 65 OK 15 60 - 26 - 3.9/1260=2, 2946/2.8=1...(6) HE3 LYS 14 - HD2 LYS 65 OK 15 60 - 26 - 3.9/1260=2, 2946/2.8=1...(6) HE3 LYS 17 - HD3 LYS 65 poor 9 71 - 13 - 2945/2.8=1 HE3 LYS 17 - HD2 LYS 65 poor 9 70 - 13 - 2945/2.8=1 HB3 ASN 63 - HD3 LYS 65 lone 6 85 - 7 - 5410/6.2=1 HB3 ASN 63 - HD2 LYS 65 lone 5 84 - 7 - 5410/6.2=1 HB3 PHE 80 - HD3 LYS 65 lone 5 60 - 8 - HB3 PHE 80 - HD2 LYS 65 lone 5 60 - 8 - HB3 ASN 18 - HD3 LYS 65 lone 3 81 - 3 - HB3 ASN 18 - HD2 LYS 65 lone 3 80 - 3 - HB2 ASN 18 - HD3 LYS 65 lone 2 78 - 3 - HB2 ASN 18 - HD2 LYS 65 lone 2 78 - 3 - HB3 ASN 24 - HD3 LYS 65 lone 2 73 - 3 - HB3 ASN 24 - HD2 LYS 65 lone 2 73 - 3 - HB3 ASN 63 - HD3 LYS 14 lone 2 85 - 2 - HB3 ASN 63 - HD2 LYS 14 lone 2 84 - 2 - HB3 TYR 32 - HD3 LYS 65 lone 2 71 - 3 - HB3 TYR 32 - HD2 LYS 65 lone 2 70 - 3 - HB3 ASN 24 - HD3 LYS 14 lone 1 73 - 2 - HB3 ASN 24 - HD2 LYS 14 lone 1 73 - 2 - HB2 ASP 53 - HD2 LYS 65 lone 1 90 - 1 - HB2 ASP 53 - HD3 LYS 65 lone 1 90 - 1 - HB3 PHE 80 - HD3 LYS 14 lone 1 60 - 2 - HB3 PHE 80 - HD2 LYS 14 lone 1 60 - 2 - HB3 ASN 18 - HD3 LYS 14 lone 1 80 - 1 - HB3 ASN 18 - HD2 LYS 14 lone 1 80 - 1 - HB2 ASN 18 - HD3 LYS 14 lone 1 78 - 1 - HB2 ASN 18 - HD2 LYS 14 lone 1 78 - 1 - HB3 TYR 32 - HD3 LYS 14 lone 1 71 - 1 - HB3 TYR 32 - HD2 LYS 14 lone 1 70 - 1 - HB2 ASP 53 - HD3 LYS 14 lone 1 90 - 1 - HB2 ASP 53 - HD2 LYS 14 lone 1 90 - 1 - HE3 LYS 17 - HD3 LYS 14 lone 1 71 - 1 - HE3 LYS 17 - HD2 LYS 14 lone 1 70 - 1 - Peak 2976 from cnoeabs.peaks (2.88, 1.58, 28.78 ppm; 2.74 A): 8 out of 52 assignments used, quality = 1.00: HE2 LYS 65 + HD3 LYS 65 OK 90 100 - 90 - 3.0=80, 2983/1.8=5...(27) * HE3 LYS 65 + HD3 LYS 65 OK 90 100 - 90 - 3.0=80, 1.8/2983=5...(26) HE3 LYS 65 + HD2 LYS 65 OK 90 100 - 90 - 3.0=80, 1.8/2983=5...(26) HE2 LYS 65 + HD2 LYS 65 OK 90 100 - 90 - 3.0=80, 2983/1.8=5...(27) HE3 LYS 14 + HD3 LYS 14 OK 60 71 - 85 - 3.0=78, 1.8/1289=4...(17) HE3 LYS 14 + HD2 LYS 14 OK 60 70 - 85 - 3.0=78, 1.8/1289=4...(17) HE2 LYS 14 + HD3 LYS 14 OK 54 63 - 86 - 3.0=78, 1.8/1289=4...(19) HE2 LYS 14 + HD2 LYS 14 OK 53 62 - 86 - 3.0=78, 1.8/1289=4...(19) HE2 LYS 65 - HD3 LYS 14 OK 24 100 - 25 - 3.8/2943=2, 2983=2...(6) HE2 LYS 65 - HD2 LYS 14 OK 24 100 - 25 - 3.8/2943=2, 2983=2...(6) HE3 LYS 65 - HD3 LYS 14 OK 22 100 - 22 - 3.8/2943=2, 3.8/2953=2...(6) HE3 LYS 65 - HD2 LYS 14 OK 22 100 - 22 - 3.8/2943=2, 3.8/2953=2...(6) HE3 LYS 14 - HD3 LYS 65 OK 18 71 - 26 - 3.9/1260=2, 2946/2.8=1...(6) HE2 LYS 14 - HD3 LYS 65 OK 18 63 - 29 - 3.9/1260=2, 2946/2.8=1...(6) HE3 LYS 14 - HD2 LYS 65 OK 18 70 - 26 - 3.9/1260=2, 2946/2.8=1...(6) HE2 LYS 14 - HD2 LYS 65 OK 18 62 - 29 - 3.9/1260=2, 2946/2.8=1...(6) HE3 LYS 17 - HD3 LYS 65 poor 8 60 - 13 - 2945/2.8=1 HE3 LYS 17 - HD2 LYS 65 poor 8 60 - 13 - 2945/2.8=1 HB3 PHE 80 - HD3 LYS 65 lone 5 71 - 8 - HB3 PHE 80 - HD2 LYS 65 lone 5 70 - 8 - HB3 ASN 63 - HD3 LYS 65 lone 5 76 - 6 - 5410/6.2=1 HB3 ASN 63 - HD2 LYS 65 lone 5 75 - 6 - 5410/6.2=1 HB2 ASN 63 - HD3 LYS 65 lone 4 60 - 6 - HB2 ASN 63 - HD2 LYS 65 lone 4 60 - 6 - HB3 ASN 18 - HD3 LYS 65 lone 2 71 - 3 - HB3 ASN 18 - HD2 LYS 65 lone 2 70 - 3 - HB2 ASN 18 - HD3 LYS 65 lone 2 68 - 3 - HB2 ASN 18 - HD2 LYS 65 lone 2 68 - 3 - HB3 ASN 24 - HD3 LYS 65 lone 2 63 - 3 - HB3 ASN 24 - HD2 LYS 65 lone 2 62 - 3 - HB3 ASN 63 - HD3 LYS 14 lone 2 76 - 2 - HB3 ASN 63 - HD2 LYS 14 lone 2 75 - 2 - HB3 TYR 32 - HD3 LYS 65 lone 2 60 - 3 - HB2 ASP 53 - HD2 LYS 65 lone 1 95 - 2 - HB2 ASP 53 - HD3 LYS 65 lone 1 96 - 1 - HB3 TYR 32 - HD2 LYS 65 lone 1 60 - 2 - HB3 PHE 80 - HD3 LYS 14 lone 1 71 - 2 - HB3 PHE 80 - HD2 LYS 14 lone 1 70 - 2 - HB3 ASN 24 - HD3 LYS 14 lone 1 63 - 2 - HB3 ASN 24 - HD2 LYS 14 lone 1 62 - 2 - HB2 ASN 63 - HD3 LYS 14 lone 1 60 - 1 - HB2 ASN 63 - HD2 LYS 14 lone 1 60 - 1 - HB2 ASP 53 - HD3 LYS 14 lone 1 95 - 1 - HB2 ASP 53 - HD2 LYS 14 lone 1 95 - 1 - HB3 ASN 18 - HD2 LYS 14 lone 1 70 - 1 - HB3 ASN 18 - HD3 LYS 14 lone 1 71 - 1 - HB2 ASN 18 - HD3 LYS 14 lone 1 68 - 1 - HB2 ASN 18 - HD2 LYS 14 lone 1 68 - 1 - HB3 TYR 32 - HD3 LYS 14 lone 1 60 - 1 - HB3 TYR 32 - HD2 LYS 14 lone 1 60 - 1 - HE3 LYS 17 - HD3 LYS 14 lone 0 60 - 1 - HE3 LYS 17 - HD2 LYS 14 lone 0 60 - 1 - Peak 2977 from cnoeabs.peaks (7.85, 2.88, 41.78 ppm; 4.53 A): 2 out of 16 assignments used, quality = 0.97: * H LYS 65 + HE2 LYS 65 OK 83 100 - 83 - 7.4=23, 2937/3.8=17...(18) H LYS 65 + HE3 LYS 65 OK 82 100 - 83 - 7.4=23, 2937/3.8=17...(18) H LEU 12 - HE2 LYS 65 OK 38 97 - 39 - 2937/3.8=9, 523/3.0=6...(9) H LEU 12 - HE3 LYS 65 OK 37 96 - 38 - 2937/3.8=9, 523/3.0=6...(8) H PHE 80 - HE2 LYS 65 OK 26 87 - 30 - 2937/3.8=5, 381/3.8=4...(11) H PHE 80 - HE3 LYS 65 OK 26 86 - 30 - 2937/3.8=5, 381/3.8=4...(12) H LYS 65 - HE3 LYS 14 OK 21 60 - 36 - 817/3.0=4, 817/3.0=4...(16) H LYS 65 - HE3 LYS 17 OK 18 71 - 26 - 816/3.9=4, 814/5.0=3...(11) HD21 ASN 24 - HE2 LYS 65 poor 10 71 - 13 - 2937/3.8=2, 2947/3.8=1...(4) HD21 ASN 24 - HE3 LYS 65 poor 9 70 - 13 - 2937/3.8=2, 2947/3.8=1...(4) H PHE 80 - HE3 LYS 14 lone 5 46 - 10 - 900/1.8=2, ~3422=1 H LEU 12 - HE3 LYS 14 lone 4 54 - 7 - 523/3.0=2, 523/3.0=1 HD21 ASN 24 - HE3 LYS 17 lone 3 43 - 7 - H PHE 80 - HE3 LYS 17 lone 3 55 - 5 - 381/3.9=1, 381/3.9=1 H LEU 12 - HE3 LYS 17 lone 2 65 - 4 - HD21 ASN 24 - HE3 LYS 14 lone 2 35 - 6 - ~454=1 Peak 2978 from cnoeabs.peaks (3.74, 2.88, 41.78 ppm; 6.03 A): 2 out of 16 assignments used, quality = 1.00: * HA LYS 65 + HE2 LYS 65 OK 100 100 - 100 - 5.8=100 HA LYS 65 + HE3 LYS 65 OK 100 100 - 100 - 5.8=100 HA LYS 65 - HE3 LYS 14 OK 40 60 - 66 - 2958/3.0=7, 2968/3.0=7...(29) HA LYS 65 - HE3 LYS 17 OK 35 71 - 50 - 2912/3.9=6, 2910/5.0=5...(20) HB2 SER 36 - HE2 LYS 65 OK 24 89 - 27 - 2938/3.8=6, 2918/5.1=4...(7) HB2 SER 36 - HE3 LYS 65 OK 23 88 - 27 - 2938/3.8=6, 2918/5.1=4...(7) HA2 GLY 39 - HE2 LYS 65 OK 16 87 - 18 - 2938/3.8=4, 2948/3.8=3...(7) HA2 GLY 39 - HE3 LYS 65 OK 16 86 - 18 - 2938/3.8=4, 2948/3.8=3...(7) HB2 SER 36 - HE3 LYS 14 poor 9 47 - 18 - 4757/3.9=6, 4758/3.9=6...(4) HA2 GLY 40 - HE2 LYS 65 lone 3 57 - 6 - HA2 GLY 40 - HE3 LYS 65 lone 3 57 - 6 - HB2 SER 36 - HE3 LYS 17 lone 3 57 - 5 - HA2 GLY 39 - HE3 LYS 17 lone 2 55 - 4 - HA2 GLY 39 - HE3 LYS 14 lone 2 46 - 4 - HA2 GLY 40 - HE3 LYS 17 lone 1 34 - 3 - HA2 GLY 40 - HE3 LYS 14 lone 1 28 - 3 - Peak 2979 from cnoeabs.peaks (1.79, 2.88, 41.78 ppm; 4.17 A): 2 out of 68 assignments used, quality = 1.00: * HB2 LYS 65 + HE2 LYS 65 OK 94 100 - 94 - 5.1=55, 3.0/2955=10...(49) HB2 LYS 65 + HE3 LYS 65 OK 93 100 - 93 - 5.1=55, 3.0/2955=10...(45) HB2 LYS 65 - HE3 LYS 14 OK 35 60 - 59 - 2923/3.0=5, 2923/3.0=5...(35) HB2 LYS 65 - HE3 LYS 17 OK 29 71 - 41 - 2922/3.9=4, 2925=3...(24) HB2 MET 48 - HE2 LYS 65 OK 24 99 - 24 - 2939/3.8=3, 2419/5.1=3...(12) HB2 MET 48 - HE3 LYS 65 OK 24 99 - 24 - 2939/3.8=3, 2419/5.1=3...(12) HG LEU 76 - HE2 LYS 65 OK 18 83 - 22 - 6171/3.8=3, 2.1/5770=3...(9) HG LEU 76 - HE3 LYS 65 OK 18 82 - 22 - 6171/3.8=3, 2.1/5770=3...(9) HD3 LYS 78 - HE3 LYS 65 OK 13 100 - 14 - 2939/3.8=3, 2949/3.8=1...(4) HD3 LYS 78 - HE2 LYS 65 OK 13 100 - 14 - 2939/3.8=3, 2949/3.8=1...(4) HB2 MET 48 - HE3 LYS 17 OK 11 69 - 15 - 4.0/4884=2, 2192/3.0=2...(7) HB2 LYS 91 - HE3 LYS 14 poor 10 59 - 17 - 3708/6.6=3, 3713/4.9=3...(7) HB2 ARG 27 - HE3 LYS 17 poor 9 63 - 13 - 1771/3.0=1, 1771/3.0=1 HB2 LYS 31 - HE3 LYS 17 poor 8 71 - 11 - 4.1/652=2 HG3 GLU 37 - HE2 LYS 65 lone 7 100 - 7 - 2939/3.8=1 HG3 GLU 37 - HE3 LYS 65 lone 7 100 - 7 - 2939/3.8=1 HB2 ARG 27 - HE2 LYS 65 lone 6 96 - 7 - 2939/3.8=1 HB2 ARG 27 - HE3 LYS 65 lone 6 95 - 7 - 2939/3.8=1 QE MET 11 - HE2 LYS 65 lone 6 85 - 8 - 4245/3.8=3 QE MET 11 - HE3 LYS 65 lone 6 84 - 7 - 4245/3.8=3 HB2 LYS 44 - HE2 LYS 65 lone 5 65 - 8 - 2939/3.8=1 HB2 LYS 44 - HE3 LYS 65 lone 5 65 - 8 - 2939/3.8=1 HG2 GLU 51 - HE2 LYS 65 lone 5 83 - 5 - HG2 GLU 51 - HE3 LYS 65 lone 5 82 - 5 - QB ALA 74 - HE2 LYS 65 lone 4 96 - 5 - QB ALA 74 - HE3 LYS 65 lone 5 95 - 5 - HG3 GLU 51 - HE2 LYS 65 lone 4 81 - 5 - HG3 GLU 51 - HE3 LYS 65 lone 4 80 - 5 - HB2 LYS 91 - HE2 LYS 65 lone 4 100 - 4 - HB2 GLU 37 - HE2 LYS 65 lone 4 63 - 6 - HG LEU 76 - HE3 LYS 14 lone 4 43 - 9 - 2.1/5770=3, ~5770=2 HB2 GLU 37 - HE3 LYS 65 lone 4 62 - 6 - HB2 LYS 91 - HE3 LYS 65 lone 4 99 - 4 - HB2 LYS 31 - HE2 LYS 65 lone 4 100 - 4 - HG3 GLU 37 - HE3 LYS 17 lone 4 71 - 5 - HB2 LYS 31 - HE3 LYS 65 lone 4 100 - 4 - HB2 ARG 28 - HE2 LYS 65 lone 3 100 - 3 - HD3 LYS 78 - HE3 LYS 17 lone 3 70 - 5 - HB2 ARG 28 - HE3 LYS 65 lone 3 100 - 3 - HB2 MET 48 - HE3 LYS 14 lone 3 58 - 5 - HG LEU 76 - HE3 LYS 17 lone 3 52 - 5 - 6171/3.9=1 HB3 GLU 33 - HE2 LYS 65 lone 3 65 - 4 - QB ALA 74 - HE3 LYS 17 lone 2 63 - 4 - HB3 GLU 33 - HE3 LYS 65 lone 2 65 - 4 - HB3 ARG 28 - HE2 LYS 65 lone 2 81 - 3 - HB3 ARG 28 - HE3 LYS 65 lone 2 80 - 3 - HB3 GLU 33 - HE3 LYS 17 lone 2 39 - 5 - 4.1/145=1 HB2 GLU 37 - HE3 LYS 17 lone 2 37 - 5 - QE MET 11 - HE3 LYS 17 lone 2 53 - 4 - 4245/3.9=1 HB2 LYS 44 - HE3 LYS 14 lone 2 32 - 5 - HB2 ARG 28 - HE3 LYS 14 lone 2 60 - 2 - HG2 GLU 51 - HE3 LYS 17 lone 1 52 - 3 - HG3 GLU 51 - HE3 LYS 17 lone 1 50 - 3 - HD3 LYS 78 - HE3 LYS 14 lone 1 59 - 2 - HG3 GLU 37 - HE3 LYS 14 lone 1 60 - 2 - QB ALA 74 - HE3 LYS 14 lone 1 53 - 2 - HB2 LYS 31 - HE3 LYS 14 lone 1 60 - 2 - HB3 ARG 28 - HE3 LYS 14 lone 1 42 - 2 - HB2 ARG 27 - HE3 LYS 14 lone 1 53 - 2 - HB2 LYS 44 - HE3 LYS 17 lone 1 39 - 2 - HB2 LYS 91 - HE3 LYS 17 lone 1 70 - 1 - HB2 ARG 28 - HE3 LYS 17 lone 1 71 - 1 - QE MET 11 - HE3 LYS 14 lone 1 45 - 2 - HG2 GLU 51 - HE3 LYS 14 lone 1 43 - 1 - HG3 GLU 51 - HE3 LYS 14 lone 1 42 - 1 - HB3 ARG 28 - HE3 LYS 17 lone 1 50 - 1 - HB2 GLU 37 - HE3 LYS 14 lone 1 31 - 2 - HB3 GLU 33 - HE3 LYS 14 lone 1 32 - 2 - Peak 2980 from cnoeabs.peaks (1.74, 2.88, 41.78 ppm; 4.47 A): 4 out of 24 assignments used, quality = 1.00: * HB3 LYS 65 + HE2 LYS 65 OK 96 100 - 96 - 5.1=67, 3.0/2955=11...(45) HB3 LYS 65 + HE3 LYS 65 OK 96 100 - 96 - 5.1=67, 3.0/2955=11...(41) HB2 LYS 17 + HE3 LYS 17 OK 59 61 - 97 - 5.0=71, ~1377=9, ~1367=9...(43) HB3 LYS 17 + HE3 LYS 17 OK 58 60 - 97 - 5.0=71, ~1377=9, ~1367=9...(43) HB3 LYS 65 - HE3 LYS 14 OK 38 60 - 63 - 2933/3.0=5, 2933/3.0=5...(38) HB2 LYS 17 - HE3 LYS 65 OK 37 93 - 40 - 2940/3.8=6, 2950/3.8=4...(22) HB2 LYS 17 - HE2 LYS 65 OK 37 93 - 39 - 2940/3.8=6, 2950/3.8=4...(22) HB3 LYS 17 - HE3 LYS 65 OK 36 91 - 40 - 2940/3.8=6, 2950/3.8=4...(22) HB3 LYS 17 - HE2 LYS 65 OK 36 92 - 39 - 2940/3.8=6, 2950/3.8=4...(22) HB3 LYS 65 - HE3 LYS 17 OK 25 71 - 36 - 2932/3.9=4, 1.8/2925=3...(16) HB3 MET 48 - HE2 LYS 65 OK 25 90 - 28 - 2940/3.8=4, ~4896=3...(15) HB3 MET 48 - HE3 LYS 65 OK 25 90 - 28 - 2940/3.8=4, ~4896=3...(15) HB3 GLN 55 - HE3 LYS 65 OK 20 93 - 22 - 2940/3.8=3, 2928/5.8=3...(10) HB3 GLN 55 - HE2 LYS 65 OK 20 93 - 21 - 2940/3.8=3, 2928/5.8=3...(10) HB3 MET 48 - HE3 LYS 17 poor 10 58 - 17 - 4898/3.0=2, 4898/3.0=2...(8) HB2 LEU 73 - HE2 LYS 65 lone 6 87 - 6 - HB2 LEU 73 - HE3 LYS 65 lone 6 86 - 6 - HB3 GLN 55 - HE3 LYS 17 lone 4 61 - 6 - ~5173=1 HB3 MET 48 - HE3 LYS 14 lone 3 49 - 6 - HB2 LYS 17 - HE3 LYS 14 lone 2 51 - 4 - HB3 LYS 17 - HE3 LYS 14 lone 2 50 - 4 - HB3 GLN 55 - HE3 LYS 14 lone 2 51 - 4 - HB2 LEU 73 - HE3 LYS 14 lone 2 46 - 4 - HB2 LEU 73 - HE3 LYS 17 lone 1 55 - 2 - Peak 2981 from cnoeabs.peaks (1.45, 2.88, 41.78 ppm; 3.35 A): 2 out of 40 assignments used, quality = 0.99: * HG2 LYS 65 + HE2 LYS 65 OK 90 100 - 90 - 3.8=71, 1.8/2955=9...(40) HG2 LYS 65 + HE3 LYS 65 OK 89 100 - 90 - 3.8=71, 1.8/2955=9...(36) HG2 LYS 65 - HE3 LYS 14 OK 24 60 - 40 - 2943/3.0=4, 2943/3.0=4...(19) HG2 LYS 65 - HE3 LYS 17 OK 20 71 - 29 - 2942/3.9=3, 2945=3...(11) HG LEU 12 - HE2 LYS 65 OK 15 87 - 17 - 1182/3.0=2, 1182/3.0=2...(11) HG LEU 12 - HE3 LYS 65 OK 14 86 - 17 - 1182/3.0=2, 1182/3.0=2...(10) HB3 LYS 64 - HE2 LYS 65 OK 12 100 - 12 - 4.6/819=4, 2951/3.8=1...(6) HB3 LEU 76 - HE2 LYS 65 OK 12 89 - 13 - 3.1/5770=2, 2951/3.8=1...(6) HB3 LEU 76 - HE3 LYS 65 OK 12 88 - 13 - 3.1/5770=2, 2951/3.8=1...(6) HB3 LYS 64 - HE3 LYS 65 OK 12 99 - 12 - 4.6/819=4, 2951/3.8=1...(5) HG3 LYS 78 - HE2 LYS 65 lone 9 97 - 9 - 2951/3.8=1, 2921/5.1=1 HG3 LYS 78 - HE3 LYS 65 lone 9 96 - 9 - 2951/3.8=1, 2921/5.1=1 HB3 LEU 34 - HE3 LYS 17 poor 6 45 - 13 - 2086/3.0=1, 2086/3.0=1...(4) HD2 LYS 44 - HE2 LYS 65 lone 6 71 - 8 - 6166/5.8=2 HD2 LYS 44 - HE3 LYS 65 lone 6 70 - 8 - 6166/5.8=2 HD2 LYS 64 - HE2 LYS 65 lone 6 97 - 6 - HD2 LYS 64 - HE3 LYS 65 lone 5 97 - 6 - HB3 LYS 64 - HE3 LYS 17 lone 4 70 - 6 - HB3 LEU 76 - HE3 LYS 14 lone 3 47 - 6 - 3.1/5770=1, ~5770=1 HG2 ARG 27 - HE3 LYS 17 lone 3 37 - 7 - HD2 LYS 64 - HE3 LYS 17 lone 3 66 - 4 - HB3 ARG 45 - HE2 LYS 65 lone 2 99 - 2 - HB3 ARG 45 - HE3 LYS 65 lone 2 98 - 2 - HG2 ARG 27 - HE2 LYS 65 lone 2 63 - 3 - HG2 ARG 27 - HE3 LYS 65 lone 2 62 - 3 - HG LEU 12 - HE3 LYS 14 lone 2 46 - 4 - HB3 LEU 34 - HE2 LYS 65 lone 2 73 - 3 - HB3 LEU 34 - HE3 LYS 65 lone 2 73 - 3 - HG3 LYS 78 - HE3 LYS 17 lone 2 65 - 3 - HB3 LYS 64 - HE3 LYS 14 lone 1 59 - 2 - HD2 LYS 44 - HE3 LYS 14 lone 1 35 - 4 - HG LEU 12 - HE3 LYS 17 lone 1 55 - 2 - HD2 LYS 44 - HE3 LYS 17 lone 1 43 - 2 - HB3 LEU 76 - HE3 LYS 17 lone 1 57 - 2 - HB3 ARG 45 - HE3 LYS 17 lone 1 68 - 1 - HG3 LYS 78 - HE3 LYS 14 lone 1 54 - 1 - HD2 LYS 64 - HE3 LYS 14 lone 1 55 - 1 - HB3 ARG 45 - HE3 LYS 14 lone 1 57 - 1 - HB3 LEU 34 - HE3 LYS 14 lone 0 37 - 1 - HG2 ARG 27 - HE3 LYS 14 lone 0 31 - 1 - Peak 2982 from cnoeabs.peaks (1.26, 2.88, 41.78 ppm; 3.28 A): 3 out of 32 assignments used, quality = 0.99: * HG3 LYS 65 + HE2 LYS 65 OK 88 100 - 88 - 3.8=67, 2955/1.8=8...(37) HG3 LYS 65 + HE3 LYS 65 OK 87 100 - 87 - 3.8=67, 2955/1.8=8...(33) HG3 LYS 17 + HE3 LYS 17 OK 58 68 - 85 - 3.9=57, 1377/1.8=11...(39) HG2 LYS 17 - HE3 LYS 17 OK 36 43 - 84 - 3.9=57, 1367/1.8=8...(38) HG3 LYS 17 - HE2 LYS 65 OK 24 99 - 24 - 2942/3.8=3, 1378=2...(10) HG3 LYS 17 - HE3 LYS 65 OK 24 99 - 25 - 2942/3.8=3, 1378/1.8=2...(11) HG3 LYS 65 - HE3 LYS 14 OK 23 60 - 38 - 2953/3.0=3, 2953/3.0=3...(19) HG3 LYS 56 - HE3 LYS 17 OK 17 58 - 30 - 1364/3.9=3, 1377/1.8=2...(13) HG3 LYS 65 - HE3 LYS 17 OK 15 71 - 22 - 1.8/2945=2, 2955=2...(8) HG2 LYS 17 - HE2 LYS 65 OK 15 71 - 21 - 2942/3.8=2, 1364/3.8=2...(9) HG2 LYS 17 - HE3 LYS 65 OK 15 70 - 21 - 2942/3.8=2, 1364/3.8=2...(8) HB2 LEU 79 - HE3 LYS 65 OK 11 95 - 12 - 2942/3.8=1, 3.1/5845=1 HB2 LEU 79 - HE2 LYS 65 OK 11 96 - 11 - 2942/3.8=1, 3.1/5845=1 HB3 LYS 68 - HE2 LYS 65 OK 11 60 - 18 - 4179/5.8=3, 3045/3.0=1...(5) HB3 LYS 68 - HE3 LYS 65 OK 10 59 - 18 - 4179/5.8=3, 3045/3.0=1...(5) HG3 LYS 56 - HE2 LYS 65 poor 10 90 - 11 - 2942/3.8=2, 2948/5.8=1...(5) HG3 LYS 56 - HE3 LYS 65 poor 10 90 - 11 - 2942/3.8=2, 2948/5.8=1...(5) HB3 LEU 23 - HE2 LYS 65 lone 8 100 - 7 - 4477/5.1=1, 2942/3.8=1 HB3 LEU 23 - HE3 LYS 65 lone 7 100 - 7 - 4477/5.1=1, 2942/3.8=1 HB3 LEU 23 - HE3 LYS 17 lone 5 70 - 7 - HD3 LYS 44 - HE2 LYS 65 lone 5 65 - 7 - HD3 LYS 44 - HE3 LYS 65 lone 4 65 - 7 - HB3 LYS 68 - HE3 LYS 17 poor 4 35 - 10 - ~5557=1, 2.9/5557=1 HB2 LEU 79 - HE3 LYS 17 lone 2 63 - 3 - HB3 LYS 68 - HE3 LYS 14 lone 2 29 - 5 - HB2 LEU 79 - HE3 LYS 14 lone 2 53 - 3 - HB3 LEU 23 - HE3 LYS 14 lone 1 59 - 2 - HD3 LYS 44 - HE3 LYS 14 lone 1 32 - 3 - HG3 LYS 17 - HE3 LYS 14 lone 1 58 - 2 - HD3 LYS 44 - HE3 LYS 17 lone 1 39 - 2 - HG3 LYS 56 - HE3 LYS 14 lone 1 49 - 1 - HG2 LYS 17 - HE3 LYS 14 lone 1 35 - 1 - Peak 2983 from cnoeabs.peaks (1.58, 2.88, 41.78 ppm; 2.56 A): 4 out of 36 assignments used, quality = 1.00: * HD2 LYS 65 + HE2 LYS 65 OK 80 100 - 80 - 3.0=65, 1.8/2965=4...(25) HD3 LYS 65 + HE2 LYS 65 OK 80 100 - 80 - 3.0=65, 1.8/2965=4...(25) HD2 LYS 65 + HE3 LYS 65 OK 79 100 - 80 - 3.0=65, 2965/1.8=4...(23) HD3 LYS 65 + HE3 LYS 65 OK 79 100 - 80 - 3.0=65, 2965/1.8=4...(21) HD3 LYS 14 - HE3 LYS 14 OK 43 59 - 73 - 3.0=63, 1281/1.8=4...(15) HD2 LYS 14 - HE3 LYS 14 OK 43 58 - 73 - 3.0=63, 1281/1.8=4...(15) HD3 LYS 14 - HE2 LYS 65 OK 20 100 - 21 - 2943/3.8=2, 2965=1...(4) HD2 LYS 14 - HE2 LYS 65 OK 20 99 - 21 - 2943/3.8=2, 2965=1...(4) HD3 LYS 14 - HE3 LYS 65 OK 18 99 - 18 - 2943/3.8=2, 2953/3.8=1...(4) HD2 LYS 14 - HE3 LYS 65 OK 18 99 - 18 - 2943/3.8=2, 2953/3.8=1...(4) HD2 LYS 65 - HE3 LYS 14 OK 13 60 - 22 - 1260/3.9=2, 1281/1.8=1...(5) HD3 LYS 65 - HE3 LYS 14 OK 13 60 - 22 - 1260/3.9=2, 1281/1.8=1...(5) HD2 LYS 65 - HE3 LYS 17 poor 8 71 - 11 - 2.8/2945=1 HD3 LYS 65 - HE3 LYS 17 poor 8 70 - 11 - 2.8/2945=1 HB2 LEU 12 - HE2 LYS 65 lone 7 81 - 9 - 1170/3.8=1 HB2 LYS 68 - HE2 LYS 65 lone 7 71 - 10 - 4177/5.8=2 HB2 LEU 12 - HE3 LYS 65 lone 7 80 - 9 - 1170/3.8=1 HB2 LYS 68 - HE3 LYS 65 lone 7 70 - 10 - 4177/5.8=2 HB2 LYS 68 - HE3 LYS 17 lone 3 43 - 6 - HB3 LEU 85 - HE2 LYS 65 lone 2 95 - 2 - HB3 LEU 85 - HE3 LYS 65 lone 1 94 - 2 - HB2 LEU 87 - HE2 LYS 65 lone 1 81 - 2 - HB2 LEU 87 - HE3 LYS 65 lone 1 80 - 2 - HB2 LEU 12 - HE3 LYS 14 lone 1 42 - 2 - HB2 LYS 68 - HE3 LYS 14 lone 1 35 - 3 - HG LEU 85 - HE2 LYS 65 lone 1 65 - 1 - HG LEU 85 - HE3 LYS 65 lone 1 65 - 1 - HB2 LEU 12 - HE3 LYS 17 lone 1 50 - 1 - HD3 LYS 14 - HE3 LYS 17 lone 0 70 - 1 - HB3 LEU 85 - HE3 LYS 17 lone 0 62 - 1 - HD2 LYS 14 - HE3 LYS 17 lone 0 69 - 1 - HB3 LEU 85 - HE3 LYS 14 lone 0 52 - 1 - HB2 LEU 87 - HE3 LYS 17 lone 0 50 - 1 - HB2 LEU 87 - HE3 LYS 14 lone 0 42 - 1 - HG LEU 85 - HE3 LYS 17 lone 0 39 - 1 - HG LEU 85 - HE3 LYS 14 lone 0 32 - 0 - Peak 2984 from cnoeabs.peaks (1.58, 2.88, 41.78 ppm; 2.56 A): 4 out of 40 assignments used, quality = 1.00: * HD3 LYS 65 + HE2 LYS 65 OK 80 100 - 80 - 3.0=65, 1.8/2965=4...(25) HD2 LYS 65 + HE2 LYS 65 OK 80 100 - 80 - 3.0=65, 1.8/2965=4...(25) HD3 LYS 65 + HE3 LYS 65 OK 79 100 - 80 - 3.0=65, 2965/1.8=4...(21) HD2 LYS 65 + HE3 LYS 65 OK 79 100 - 80 - 3.0=65, 2965/1.8=4...(23) HD3 LYS 14 - HE3 LYS 14 OK 44 60 - 73 - 3.0=63, 1271/1.8=4...(15) HD2 LYS 14 - HE3 LYS 14 OK 43 60 - 73 - 3.0=63, 1271/1.8=4...(15) HD3 LYS 14 - HE2 LYS 65 OK 20 100 - 21 - 2943/3.8=2, 2965=1...(4) HD2 LYS 14 - HE2 LYS 65 OK 20 100 - 21 - 2943/3.8=2, 2975=1...(4) HD3 LYS 14 - HE3 LYS 65 OK 18 100 - 18 - 2943/3.8=2, 2953/3.8=1...(4) HD2 LYS 14 - HE3 LYS 65 OK 18 100 - 18 - 2943/3.8=2, 2953/3.8=1...(4) HD3 LYS 65 - HE3 LYS 14 OK 13 60 - 22 - 1260/3.9=2, 1271/1.8=1...(5) HD2 LYS 65 - HE3 LYS 14 OK 13 60 - 22 - 1260/3.9=2, 1281/1.8=1...(5) HB2 LYS 68 - HE2 LYS 65 poor 8 78 - 10 - 4177/5.8=2 HD3 LYS 65 - HE3 LYS 17 poor 8 71 - 11 - 2.8/2945=1 HB2 LYS 68 - HE3 LYS 65 lone 8 77 - 10 - 4177/5.8=2 HD2 LYS 65 - HE3 LYS 17 poor 8 70 - 11 - 2.8/2945=1 HB2 LEU 12 - HE2 LYS 65 lone 7 87 - 9 - 1170/3.8=1 HB2 LEU 12 - HE3 LYS 65 lone 7 86 - 9 - 1170/3.8=1 HB2 LYS 68 - HE3 LYS 17 lone 3 48 - 6 - HB3 LEU 85 - HE2 LYS 65 lone 2 97 - 2 - HB3 LEU 85 - HE3 LYS 65 lone 2 97 - 2 - HB2 LEU 87 - HE2 LYS 65 lone 1 87 - 2 - HB2 LEU 87 - HE3 LYS 65 lone 1 86 - 2 - HB2 LYS 68 - HE3 LYS 14 lone 1 40 - 3 - HB2 LEU 12 - HE3 LYS 14 lone 1 46 - 2 - HG LEU 87 - HE2 LYS 65 lone 1 60 - 1 - HG LEU 85 - HE2 LYS 65 lone 1 73 - 1 - HG LEU 87 - HE3 LYS 65 lone 1 59 - 1 - HG LEU 85 - HE3 LYS 65 lone 1 73 - 1 - HB2 LEU 12 - HE3 LYS 17 lone 1 55 - 1 - HB3 LEU 85 - HE3 LYS 17 lone 1 66 - 1 - HD3 LYS 14 - HE3 LYS 17 lone 0 71 - 1 - HD2 LYS 14 - HE3 LYS 17 lone 0 70 - 1 - HB3 LEU 85 - HE3 LYS 14 lone 0 55 - 1 - HB2 LEU 87 - HE3 LYS 17 lone 0 55 - 1 - HG LEU 85 - HE3 LYS 17 lone 0 45 - 1 - HB2 LEU 87 - HE3 LYS 14 lone 0 46 - 1 - HG LEU 87 - HE3 LYS 17 lone 0 35 - 1 - HG LEU 85 - HE3 LYS 14 lone 0 37 - 1 - HG LEU 87 - HE3 LYS 14 lone 0 29 - 1 - Peak 2985 from cnoeabs.peaks (2.88, 2.88, 41.78 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 65 + HE2 LYS 65 OK 100 100 - 100 HE3 LYS 65 + HE3 LYS 65 OK 100 100 - 100 HE3 LYS 17 - HE3 LYS 17 OK 43 43 - 100 HE3 LYS 14 - HE3 LYS 14 OK 29 29 - 100 Peak 2986 from cnoeabs.peaks (2.88, 2.88, 41.78 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: HE2 LYS 65 + HE2 LYS 65 OK 100 100 - 100 HE3 LYS 65 + HE3 LYS 65 OK 100 100 - 100 HE3 LYS 17 - HE3 LYS 17 OK 35 35 - 100 HE3 LYS 14 - HE3 LYS 14 OK 35 35 - 100 Reference assignment not found: HE3 LYS 65 - HE2 LYS 65 Peak 2989 from cnoeabs.peaks (1.79, 2.88, 41.78 ppm; 4.17 A): 2 out of 85 assignments used, quality = 1.00: HB2 LYS 65 + HE2 LYS 65 OK 93 100 - 94 - 5.1=55, 3.0/2955=10...(49) * HB2 LYS 65 + HE3 LYS 65 OK 93 100 - 93 - 5.1=55, 3.0/2955=10...(45) HB2 LYS 65 - HE3 LYS 14 OK 42 71 - 59 - 2923/3.0=5, 2923/3.0=5...(35) HB2 LYS 65 - HE2 LYS 14 OK 40 63 - 64 - 2923/3.0=5, 2923/3.0=5...(43) HB2 LYS 65 - HE3 LYS 17 OK 25 60 - 41 - 2922/3.9=4, 2925=3...(24) HB2 MET 48 - HE2 LYS 65 OK 24 99 - 24 - 2939/3.8=3, 2419/5.1=3...(12) HB2 MET 48 - HE3 LYS 65 OK 23 99 - 24 - 2939/3.8=3, 2419/5.1=3...(12) HG LEU 76 - HE3 LYS 65 OK 18 83 - 22 - 2.1/5770=4, 6171/3.8=3...(9) HG LEU 76 - HE2 LYS 65 OK 18 82 - 22 - 6171/3.8=3, 2.1/5770=3...(9) HD3 LYS 78 - HE3 LYS 65 OK 13 100 - 14 - 2939/3.8=3, 2949/3.8=1...(4) HD3 LYS 78 - HE2 LYS 65 OK 13 100 - 14 - 2939/3.8=3, 2949/3.8=1...(4) HB2 LYS 91 - HE3 LYS 14 OK 12 70 - 17 - 3708/6.6=3, 3713/4.9=3...(7) HB2 LYS 91 - HE2 LYS 14 OK 11 62 - 17 - 3708/6.6=3, 3713/4.9=3...(7) HB2 MET 48 - HE3 LYS 17 poor 9 58 - 15 - 2192/3.0=2, 2192/3.0=2...(7) HB2 ARG 27 - HE3 LYS 17 poor 7 53 - 13 - 1771/3.0=1, 1771/3.0=1 HG3 GLU 37 - HE2 LYS 65 lone 7 100 - 7 - 2939/3.8=1 HG3 GLU 37 - HE3 LYS 65 lone 7 100 - 7 - 2939/3.8=1 HB2 ARG 27 - HE3 LYS 65 lone 6 96 - 7 - 2939/3.8=1 HB2 ARG 27 - HE2 LYS 65 lone 6 95 - 7 - 2939/3.8=1 QE MET 11 - HE3 LYS 65 lone 6 85 - 7 - 4245/3.8=3 QE MET 11 - HE2 LYS 65 lone 6 84 - 7 - 4245/3.8=3 HB2 LYS 31 - HE3 LYS 17 poor 6 60 - 10 - 4.1/652=1 HB2 LYS 44 - HE2 LYS 65 lone 5 65 - 8 - 2939/3.8=1 HB2 LYS 44 - HE3 LYS 65 lone 5 65 - 8 - 2939/3.8=1 HG LEU 76 - HE3 LYS 14 lone 5 52 - 9 - 2.1/5770=3, ~5770=2 HG2 GLU 51 - HE3 LYS 65 lone 5 83 - 6 - QB ALA 74 - HE3 LYS 65 lone 5 96 - 5 - HG2 GLU 51 - HE2 LYS 65 lone 5 82 - 5 - QB ALA 74 - HE2 LYS 65 lone 4 95 - 5 - HG3 GLU 51 - HE3 LYS 65 lone 4 81 - 5 - HG3 GLU 51 - HE2 LYS 65 lone 4 80 - 5 - HG LEU 76 - HE2 LYS 14 lone 4 45 - 10 - 2.1/5770=3, ~5770=2 HB2 LYS 91 - HE2 LYS 65 lone 4 99 - 4 - HB2 LYS 91 - HE3 LYS 65 lone 4 100 - 4 - HB2 GLU 37 - HE3 LYS 65 lone 4 63 - 6 - HB2 GLU 37 - HE2 LYS 65 lone 4 62 - 6 - HB2 MET 48 - HE3 LYS 14 lone 4 69 - 5 - HB2 LYS 31 - HE2 LYS 65 lone 4 100 - 4 - HB2 LYS 31 - HE3 LYS 65 lone 4 100 - 4 - HB2 ARG 28 - HE2 LYS 65 lone 3 100 - 3 - HB2 MET 48 - HE2 LYS 14 lone 3 61 - 5 - HB2 ARG 28 - HE3 LYS 65 lone 3 100 - 3 - HG3 GLU 37 - HE3 LYS 17 lone 3 60 - 5 - HD3 LYS 78 - HE3 LYS 17 lone 3 59 - 5 - HB3 GLU 33 - HE2 LYS 65 lone 2 65 - 4 - HB3 GLU 33 - HE3 LYS 65 lone 2 65 - 4 - HB3 ARG 28 - HE2 LYS 65 lone 2 80 - 3 - HG LEU 76 - HE3 LYS 17 lone 2 43 - 5 - 6171/3.9=1 HB3 ARG 28 - HE3 LYS 65 lone 2 81 - 3 - HB2 LYS 44 - HE3 LYS 14 lone 2 39 - 6 - QB ALA 74 - HE3 LYS 17 lone 2 53 - 4 - HB2 LYS 44 - HE2 LYS 14 lone 2 34 - 5 - HB2 ARG 28 - HE3 LYS 14 lone 2 71 - 2 - HB2 ARG 28 - HE2 LYS 14 lone 2 63 - 2 - HD3 LYS 78 - HE3 LYS 14 lone 2 70 - 2 - HB2 GLU 37 - HE3 LYS 17 lone 2 31 - 5 - QE MET 11 - HE3 LYS 17 lone 2 45 - 3 - 4245/3.9=1 HB3 GLU 33 - HE3 LYS 17 lone 1 32 - 5 - 4.1/145=1 HG3 GLU 37 - HE3 LYS 14 lone 1 71 - 2 - HD3 LYS 78 - HE2 LYS 14 lone 1 62 - 2 - QB ALA 74 - HE3 LYS 14 lone 1 63 - 2 - HG3 GLU 37 - HE2 LYS 14 lone 1 63 - 2 - HB2 LYS 31 - HE3 LYS 14 lone 1 71 - 2 - HB3 ARG 28 - HE3 LYS 14 lone 1 50 - 2 - HB2 ARG 27 - HE3 LYS 14 lone 1 63 - 2 - HG2 GLU 51 - HE3 LYS 17 lone 1 43 - 3 - QB ALA 74 - HE2 LYS 14 lone 1 56 - 2 - HB2 LYS 31 - HE2 LYS 14 lone 1 63 - 2 - HG3 GLU 51 - HE3 LYS 17 lone 1 42 - 3 - HB3 ARG 28 - HE2 LYS 14 lone 1 44 - 2 - HB2 ARG 27 - HE2 LYS 14 lone 1 56 - 2 - QE MET 11 - HE3 LYS 14 lone 1 53 - 2 - HG2 GLU 51 - HE3 LYS 14 lone 1 52 - 2 - HG3 GLU 51 - HE3 LYS 14 lone 1 50 - 2 - HB2 ARG 28 - HE3 LYS 17 lone 1 60 - 1 - HB2 LYS 91 - HE3 LYS 17 lone 1 59 - 1 - HB2 LYS 44 - HE3 LYS 17 lone 1 32 - 2 - QE MET 11 - HE2 LYS 14 lone 1 47 - 1 - HG2 GLU 51 - HE2 LYS 14 lone 1 45 - 2 - HG3 GLU 51 - HE2 LYS 14 lone 1 44 - 2 - HB2 GLU 37 - HE3 LYS 14 lone 1 37 - 2 - HB3 GLU 33 - HE3 LYS 14 lone 1 39 - 2 - HB2 GLU 37 - HE2 LYS 14 lone 1 32 - 2 - HB3 GLU 33 - HE2 LYS 14 lone 1 34 - 2 - HB3 ARG 28 - HE3 LYS 17 lone 0 42 - 1 - Peak 2990 from cnoeabs.peaks (1.74, 2.88, 41.78 ppm; 4.47 A): 4 out of 30 assignments used, quality = 1.00: HB3 LYS 65 + HE2 LYS 65 OK 96 100 - 96 - 5.1=67, 3.0/2955=11...(45) * HB3 LYS 65 + HE3 LYS 65 OK 96 100 - 96 - 5.1=67, 3.0/2955=11...(41) HB2 LYS 17 + HE3 LYS 17 OK 50 51 - 97 - 5.0=71, ~1377=9, ~1367=9...(43) HB3 LYS 17 + HE3 LYS 17 OK 48 50 - 97 - 5.0=71, ~1377=9, ~1367=9...(43) HB3 LYS 65 - HE3 LYS 14 OK 45 71 - 63 - 2933/3.0=5, 2933/3.0=5...(40) HB3 LYS 65 - HE2 LYS 14 OK 43 63 - 69 - 2933/3.0=5, 2933/3.0=5...(45) HB2 LYS 17 - HE3 LYS 65 OK 37 93 - 39 - 2940/3.8=6, 2950/3.8=4...(22) HB3 LYS 17 - HE3 LYS 65 OK 36 92 - 39 - 2940/3.8=6, 2950/3.8=4...(22) HB2 LYS 17 - HE2 LYS 65 OK 36 93 - 39 - 2940/3.8=6, 2950/3.8=4...(19) HB3 LYS 17 - HE2 LYS 65 OK 35 91 - 39 - 2940/3.8=6, 2950/3.8=4...(19) HB3 MET 48 - HE3 LYS 65 OK 25 90 - 28 - 2940/3.8=4, ~4896=3...(15) HB3 MET 48 - HE2 LYS 65 OK 25 90 - 28 - 2940/3.8=4, ~4896=3...(15) HB3 LYS 65 - HE3 LYS 17 OK 22 60 - 36 - 2932/3.9=4, 1.8/2925=3...(16) HB3 GLN 55 - HE3 LYS 65 OK 20 93 - 22 - 2940/3.8=3, 2928/5.8=3...(10) HB3 GLN 55 - HE2 LYS 65 OK 19 93 - 21 - 2940/3.8=3, 2928/5.8=3...(10) HB3 MET 48 - HE3 LYS 17 poor 8 49 - 16 - 4898/3.0=2, 4898/3.0=2...(8) HB2 LEU 73 - HE2 LYS 65 lone 6 86 - 6 - HB2 LEU 73 - HE3 LYS 65 lone 6 87 - 6 - HB3 MET 48 - HE3 LYS 14 lone 4 58 - 7 - HB3 MET 48 - HE2 LYS 14 lone 3 51 - 7 - HB3 GLN 55 - HE3 LYS 17 lone 3 51 - 6 - ~5173=1 HB3 GLN 55 - HE3 LYS 14 lone 2 61 - 4 - HB2 LYS 17 - HE3 LYS 14 lone 2 61 - 4 - HB3 LYS 17 - HE3 LYS 14 lone 2 60 - 4 - HB2 LYS 17 - HE2 LYS 14 lone 2 54 - 4 - HB3 GLN 55 - HE2 LYS 14 lone 2 54 - 4 - HB3 LYS 17 - HE2 LYS 14 lone 2 52 - 4 - HB2 LEU 73 - HE3 LYS 14 lone 2 55 - 4 - HB2 LEU 73 - HE2 LYS 14 lone 2 48 - 4 - HB2 LEU 73 - HE3 LYS 17 lone 1 46 - 2 - Peak 2991 from cnoeabs.peaks (1.45, 2.88, 41.78 ppm; 3.35 A): 2 out of 50 assignments used, quality = 0.99: HG2 LYS 65 + HE2 LYS 65 OK 90 100 - 90 - 3.8=71, 1.8/2955=9...(40) * HG2 LYS 65 + HE3 LYS 65 OK 90 100 - 90 - 3.8=71, 1.8/2955=9...(36) HG2 LYS 65 - HE3 LYS 14 OK 28 71 - 40 - 2943/3.0=4, 2943/3.0=4...(19) HG2 LYS 65 - HE2 LYS 14 OK 27 63 - 44 - 2943/3.0=4, 2943/3.0=4...(22) HG2 LYS 65 - HE3 LYS 17 OK 17 60 - 29 - 2942/3.9=3, 2945=3...(11) HG LEU 12 - HE3 LYS 65 OK 14 87 - 17 - 1182/3.0=2, 1182/3.0=2...(10) HG LEU 12 - HE2 LYS 65 OK 14 86 - 17 - 1182/3.0=2, 1182/3.0=2...(9) HB3 LEU 76 - HE3 LYS 65 OK 12 89 - 14 - 3.1/5770=2, 2951/3.8=1...(6) HB3 LEU 76 - HE2 LYS 65 OK 12 88 - 14 - 3.1/5770=2, 2951/3.8=1...(6) HB3 LYS 64 - HE2 LYS 65 OK 12 99 - 12 - 4.6/819=4, 2951/3.8=1...(5) HB3 LYS 64 - HE3 LYS 65 OK 11 100 - 12 - 4.6/819=4, 2951/3.8=1...(5) HG3 LYS 78 - HE3 LYS 65 lone 9 97 - 9 - 2951/3.8=1, 2921/5.1=1 HG3 LYS 78 - HE2 LYS 65 lone 9 96 - 9 - 2951/3.8=1, 2921/5.1=1 HD2 LYS 44 - HE2 LYS 65 lone 6 70 - 8 - 6166/5.8=2 HD2 LYS 44 - HE3 LYS 65 lone 6 71 - 8 - 6166/5.8=2 HD2 LYS 64 - HE2 LYS 65 lone 5 97 - 6 - HD2 LYS 64 - HE3 LYS 65 lone 5 97 - 6 - HB3 LEU 34 - HE3 LYS 17 poor 5 37 - 13 - 2086/3.0=1, 2086/3.0=1...(4) HB3 LEU 76 - HE3 LYS 14 lone 3 57 - 6 - 3.1/5770=2, ~5770=1 HB3 LYS 64 - HE3 LYS 17 lone 3 59 - 6 - HB3 LEU 76 - HE2 LYS 14 lone 3 50 - 6 - 3.1/5770=1, ~5770=1 HG LEU 12 - HE3 LYS 14 lone 2 55 - 4 - HB3 ARG 45 - HE2 LYS 65 lone 2 98 - 2 - HB3 ARG 45 - HE3 LYS 65 lone 2 99 - 2 - HG2 ARG 27 - HE3 LYS 17 lone 2 31 - 7 - HD2 LYS 64 - HE3 LYS 17 lone 2 55 - 4 - HG2 ARG 27 - HE3 LYS 65 lone 2 63 - 3 - HG LEU 12 - HE2 LYS 14 lone 2 48 - 4 - HG2 ARG 27 - HE2 LYS 65 lone 2 62 - 3 - HB3 LEU 34 - HE2 LYS 65 lone 2 73 - 3 - HB3 LEU 34 - HE3 LYS 65 lone 2 73 - 2 - HB3 LYS 64 - HE3 LYS 14 lone 2 70 - 3 - HD2 LYS 44 - HE3 LYS 14 lone 2 43 - 4 - HB3 LYS 64 - HE2 LYS 14 lone 2 62 - 2 - HD2 LYS 44 - HE2 LYS 14 lone 1 37 - 4 - HG3 LYS 78 - HE3 LYS 17 lone 1 54 - 3 - HG LEU 12 - HE3 LYS 17 lone 1 46 - 2 - HD2 LYS 64 - HE3 LYS 14 lone 1 66 - 1 - HG3 LYS 78 - HE3 LYS 14 lone 1 65 - 1 - HG3 LYS 78 - HE2 LYS 14 lone 1 57 - 1 - HB3 LEU 76 - HE3 LYS 17 lone 1 47 - 2 - HD2 LYS 44 - HE3 LYS 17 lone 1 35 - 2 - HD2 LYS 64 - HE2 LYS 14 lone 1 58 - 1 - HB3 ARG 45 - HE3 LYS 17 lone 1 57 - 1 - HB3 ARG 45 - HE3 LYS 14 lone 1 68 - 1 - HB3 LEU 34 - HE3 LYS 14 lone 1 45 - 1 - HB3 ARG 45 - HE2 LYS 14 lone 1 60 - 1 - HB3 LEU 34 - HE2 LYS 14 lone 1 39 - 1 - HG2 ARG 27 - HE3 LYS 14 lone 0 37 - 1 - HG2 ARG 27 - HE2 LYS 14 lone 0 32 - 1 - Peak 2992 from cnoeabs.peaks (1.26, 2.88, 41.78 ppm; 3.28 A): 3 out of 40 assignments used, quality = 0.99: HG3 LYS 65 + HE2 LYS 65 OK 88 100 - 88 - 3.8=67, 2955/1.8=8...(37) * HG3 LYS 65 + HE3 LYS 65 OK 87 100 - 87 - 3.8=67, 2955/1.8=8...(33) HG3 LYS 17 + HE3 LYS 17 OK 49 58 - 85 - 3.9=57, 1377/1.8=11...(39) HG2 LYS 17 - HE3 LYS 17 OK 29 35 - 83 - 3.9=57, 1367/1.8=8...(38) HG3 LYS 65 - HE3 LYS 14 OK 27 71 - 38 - 2953/3.0=3, 2953/3.0=3...(19) HG3 LYS 65 - HE2 LYS 14 OK 27 63 - 43 - 2953/3.0=3, 2953/3.0=3...(22) HG3 LYS 17 - HE3 LYS 65 OK 24 99 - 24 - 2942/3.8=3, 1378/1.8=2...(10) HG3 LYS 17 - HE2 LYS 65 OK 23 99 - 24 - 2942/3.8=3, 2922/5.1=2...(10) HG2 LYS 17 - HE3 LYS 65 OK 15 71 - 21 - 2942/3.8=2, 1364/3.8=2...(7) HG3 LYS 56 - HE3 LYS 17 OK 14 49 - 30 - 1364/3.9=3, 1377/1.8=2...(13) HG2 LYS 17 - HE2 LYS 65 OK 14 70 - 20 - 2942/3.8=2, 1364/3.8=2...(8) HG3 LYS 65 - HE3 LYS 17 OK 13 60 - 22 - 1.8/2945=2, 2955=2...(8) HB2 LEU 79 - HE3 LYS 65 OK 11 96 - 12 - 2942/3.8=1, 3.1/5845=1 HB2 LEU 79 - HE2 LYS 65 OK 11 95 - 12 - 2942/3.8=1, 3.1/5845=1 HB3 LYS 68 - HE2 LYS 65 OK 11 59 - 18 - 4179/5.8=3, 3045/3.0=1...(5) HB3 LYS 68 - HE3 LYS 65 OK 10 60 - 17 - 4179/5.8=3, 3045/3.0=1...(5) HG3 LYS 56 - HE3 LYS 65 poor 10 90 - 11 - 2942/3.8=2, 2948/5.8=1...(5) HG3 LYS 56 - HE2 LYS 65 poor 10 90 - 11 - 2942/3.8=2, 2948/5.8=1...(5) HB3 LEU 23 - HE3 LYS 65 lone 8 100 - 8 - 4477/5.1=1, 2942/3.8=1 HB3 LEU 23 - HE2 LYS 65 lone 7 100 - 8 - 4477/5.1=1, 2942/3.8=1 HD3 LYS 44 - HE2 LYS 65 lone 4 65 - 7 - HD3 LYS 44 - HE3 LYS 65 lone 4 65 - 7 - HB3 LEU 23 - HE3 LYS 17 lone 4 59 - 7 - HB3 LYS 68 - HE3 LYS 17 lone 3 29 - 10 - ~5557=1 HB2 LEU 79 - HE3 LYS 14 lone 2 63 - 3 - HB3 LYS 68 - HE3 LYS 14 lone 2 35 - 5 - HB3 LYS 68 - HE2 LYS 14 lone 2 31 - 5 - HB2 LEU 79 - HE2 LYS 14 lone 2 56 - 3 - HB2 LEU 79 - HE3 LYS 17 lone 2 53 - 3 - HB3 LEU 23 - HE3 LYS 14 lone 2 70 - 2 - HD3 LYS 44 - HE3 LYS 14 lone 1 39 - 3 - HB3 LEU 23 - HE2 LYS 14 lone 1 62 - 2 - HD3 LYS 44 - HE2 LYS 14 lone 1 34 - 4 - HG3 LYS 17 - HE3 LYS 14 lone 1 68 - 2 - HG3 LYS 17 - HE2 LYS 14 lone 1 60 - 2 - HG3 LYS 56 - HE3 LYS 14 lone 1 58 - 1 - HD3 LYS 44 - HE3 LYS 17 lone 1 32 - 2 - HG3 LYS 56 - HE2 LYS 14 lone 1 51 - 1 - HG2 LYS 17 - HE3 LYS 14 lone 1 43 - 1 - HG2 LYS 17 - HE2 LYS 14 lone 1 37 - 1 - Peak 2993 from cnoeabs.peaks (1.58, 2.88, 41.78 ppm; 2.56 A): 8 out of 45 assignments used, quality = 1.00: HD2 LYS 65 + HE2 LYS 65 OK 80 100 - 80 - 3.0=65, 2965/1.8=4...(25) HD3 LYS 65 + HE2 LYS 65 OK 80 100 - 80 - 3.0=65, 1.8/2965=4...(25) * HD2 LYS 65 + HE3 LYS 65 OK 80 100 - 80 - 3.0=65, 2965/1.8=4...(23) HD3 LYS 65 + HE3 LYS 65 OK 80 100 - 80 - 3.0=65, 2965/1.8=4...(21) HD3 LYS 14 + HE3 LYS 14 OK 51 70 - 73 - 3.0=63, 1281/1.8=4...(15) HD2 LYS 14 + HE3 LYS 14 OK 51 69 - 73 - 3.0=63, 1281/1.8=4...(15) HD3 LYS 14 + HE2 LYS 14 OK 45 62 - 74 - 3.0=63, 1281/1.8=4...(19) HD2 LYS 14 + HE2 LYS 14 OK 45 61 - 74 - 3.0=63, 1281/1.8=4...(19) HD3 LYS 14 - HE2 LYS 65 OK 20 99 - 21 - 2943/3.8=2, 2965=1...(4) HD2 LYS 14 - HE2 LYS 65 OK 20 99 - 21 - 2943/3.8=2, 2965=1...(4) HD3 LYS 14 - HE3 LYS 65 OK 18 100 - 18 - 2943/3.8=2, 2953/3.8=1...(4) HD2 LYS 14 - HE3 LYS 65 OK 18 99 - 18 - 2943/3.8=2, 2953/3.8=1...(4) HD2 LYS 65 - HE3 LYS 14 OK 16 71 - 22 - 1260/3.9=2, 1281/1.8=1...(6) HD2 LYS 65 - HE2 LYS 14 OK 15 63 - 25 - 1260/3.9=2, 2.8/2946=1...(6) HD3 LYS 65 - HE3 LYS 14 OK 15 70 - 22 - 1260/3.9=2, 1281/1.8=1...(6) HD3 LYS 65 - HE2 LYS 14 OK 15 62 - 25 - 1260/3.9=2, 2.8/2946=1...(6) HB2 LEU 12 - HE3 LYS 65 lone 7 81 - 9 - 1170/3.8=1 HB2 LEU 12 - HE2 LYS 65 lone 7 80 - 9 - 1170/3.8=1 HB2 LYS 68 - HE2 LYS 65 lone 7 70 - 10 - 4177/5.8=2 HB2 LYS 68 - HE3 LYS 65 lone 7 71 - 9 - 4177/5.8=2 HD2 LYS 65 - HE3 LYS 17 poor 6 60 - 11 - 2.8/2945=1 HD3 LYS 65 - HE3 LYS 17 poor 6 60 - 11 - 2.8/2945=1 HB2 LYS 68 - HE3 LYS 17 lone 2 35 - 6 - HB3 LEU 85 - HE3 LYS 65 lone 2 95 - 2 - HB3 LEU 85 - HE2 LYS 65 lone 1 94 - 2 - HB2 LEU 87 - HE3 LYS 65 lone 1 81 - 2 - HB2 LEU 87 - HE2 LYS 65 lone 1 80 - 2 - HB2 LYS 68 - HE3 LYS 14 lone 1 43 - 3 - HB2 LEU 12 - HE3 LYS 14 lone 1 50 - 2 - HB2 LYS 68 - HE2 LYS 14 lone 1 37 - 3 - HB2 LEU 12 - HE2 LYS 14 lone 1 44 - 2 - HG LEU 85 - HE3 LYS 65 lone 1 65 - 1 - HG LEU 85 - HE2 LYS 65 lone 1 65 - 1 - HB3 LEU 85 - HE3 LYS 14 lone 0 62 - 1 - HB2 LEU 12 - HE3 LYS 17 lone 0 42 - 1 - HD3 LYS 14 - HE3 LYS 17 lone 0 59 - 1 - HD2 LYS 14 - HE3 LYS 17 lone 0 58 - 1 - HB3 LEU 85 - HE3 LYS 17 lone 0 52 - 1 - HB3 LEU 85 - HE2 LYS 14 lone 0 55 - 1 - HB2 LEU 87 - HE3 LYS 14 lone 0 50 - 1 - HB2 LEU 87 - HE2 LYS 14 lone 0 44 - 1 - HB2 LEU 87 - HE3 LYS 17 lone 0 42 - 1 - HG LEU 85 - HE3 LYS 17 lone 0 32 - 1 - HG LEU 85 - HE3 LYS 14 lone 0 39 - 1 - HG LEU 85 - HE2 LYS 14 lone 0 34 - 1 - Peak 2994 from cnoeabs.peaks (1.58, 2.88, 41.78 ppm; 2.56 A): 8 out of 50 assignments used, quality = 1.00: HD3 LYS 65 + HE2 LYS 65 OK 80 100 - 80 - 3.0=65, 1.8/2965=4...(25) HD2 LYS 65 + HE2 LYS 65 OK 80 100 - 80 - 3.0=65, 2965/1.8=4...(25) * HD3 LYS 65 + HE3 LYS 65 OK 80 100 - 80 - 3.0=65, 2965/1.8=4...(21) HD2 LYS 65 + HE3 LYS 65 OK 80 100 - 80 - 3.0=65, 2965/1.8=4...(23) HD3 LYS 14 + HE3 LYS 14 OK 52 71 - 73 - 3.0=63, 1271/1.8=4...(15) HD2 LYS 14 + HE3 LYS 14 OK 52 70 - 73 - 3.0=63, 1271/1.8=4...(15) HD3 LYS 14 + HE2 LYS 14 OK 46 63 - 74 - 3.0=63, 1271/1.8=4...(19) HD2 LYS 14 + HE2 LYS 14 OK 46 62 - 74 - 3.0=63, 1271/1.8=4...(19) HD3 LYS 14 - HE2 LYS 65 OK 21 100 - 21 - 2943/3.8=2, 2965=1...(4) HD2 LYS 14 - HE2 LYS 65 OK 21 100 - 21 - 2943/3.8=2, 2975=1...(4) HD3 LYS 14 - HE3 LYS 65 OK 18 100 - 18 - 2943/3.8=2, 2953/3.8=1...(4) HD2 LYS 14 - HE3 LYS 65 OK 18 100 - 18 - 2943/3.8=2, 2953/3.8=1...(4) HD3 LYS 65 - HE3 LYS 14 OK 16 71 - 22 - 1260/3.9=2, 1271/1.8=1...(6) HD3 LYS 65 - HE2 LYS 14 OK 16 63 - 25 - 1260/3.9=2, 2.8/2946=1...(6) HD2 LYS 65 - HE3 LYS 14 OK 15 70 - 22 - 1260/3.9=2, 1281/1.8=1...(6) HD2 LYS 65 - HE2 LYS 14 OK 15 62 - 25 - 1260/3.9=2, 2.8/2946=1...(6) HB2 LYS 68 - HE2 LYS 65 lone 8 77 - 10 - 4177/5.8=2 HB2 LEU 12 - HE3 LYS 65 lone 7 87 - 9 - 1170/3.8=1 HB2 LYS 68 - HE3 LYS 65 lone 7 78 - 10 - 4177/5.8=2 HB2 LEU 12 - HE2 LYS 65 lone 7 86 - 9 - 1170/3.8=1 HD3 LYS 65 - HE3 LYS 17 poor 6 60 - 11 - 2.8/2945=1 HD2 LYS 65 - HE3 LYS 17 poor 6 60 - 11 - 2.8/2945=1 HB2 LYS 68 - HE3 LYS 17 lone 2 40 - 6 - HB3 LEU 85 - HE3 LYS 65 lone 2 97 - 2 - HB3 LEU 85 - HE2 LYS 65 lone 2 97 - 2 - HB2 LYS 68 - HE3 LYS 14 lone 1 48 - 3 - HB2 LEU 87 - HE3 LYS 65 lone 1 87 - 2 - HB2 LEU 87 - HE2 LYS 65 lone 1 86 - 2 - HB2 LEU 12 - HE3 LYS 14 lone 1 55 - 2 - HB2 LYS 68 - HE2 LYS 14 lone 1 42 - 3 - HB2 LEU 12 - HE2 LYS 14 lone 1 48 - 2 - HG LEU 87 - HE3 LYS 65 lone 1 60 - 1 - HG LEU 85 - HE3 LYS 65 lone 1 73 - 1 - HG LEU 87 - HE2 LYS 65 lone 1 59 - 1 - HG LEU 85 - HE2 LYS 65 lone 1 73 - 1 - HB2 LEU 12 - HE3 LYS 17 lone 0 46 - 1 - HB3 LEU 85 - HE3 LYS 14 lone 0 66 - 1 - HB3 LEU 85 - HE3 LYS 17 lone 0 55 - 1 - HD3 LYS 14 - HE3 LYS 17 lone 0 60 - 1 - HD2 LYS 14 - HE3 LYS 17 lone 0 60 - 1 - HB3 LEU 85 - HE2 LYS 14 lone 0 58 - 1 - HB2 LEU 87 - HE3 LYS 14 lone 0 55 - 1 - HB2 LEU 87 - HE2 LYS 14 lone 0 48 - 1 - HB2 LEU 87 - HE3 LYS 17 lone 0 46 - 1 - HG LEU 85 - HE3 LYS 17 lone 0 37 - 1 - HG LEU 85 - HE3 LYS 14 lone 0 45 - 1 - HG LEU 85 - HE2 LYS 14 lone 0 39 - 1 - HG LEU 87 - HE3 LYS 14 lone 0 35 - 1 - HG LEU 87 - HE3 LYS 17 lone 0 29 - 1 - HG LEU 87 - HE2 LYS 14 lone 0 31 - 0 - Peak 2995 from cnoeabs.peaks (2.88, 2.88, 41.78 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: HE2 LYS 65 + HE2 LYS 65 OK 100 100 - 100 HE3 LYS 65 + HE3 LYS 65 OK 100 100 - 100 HE3 LYS 17 - HE3 LYS 17 OK 35 35 - 100 HE3 LYS 14 - HE3 LYS 14 OK 35 35 - 100 Reference assignment not found: HE2 LYS 65 - HE3 LYS 65 Peak 2996 from cnoeabs.peaks (2.88, 2.88, 41.78 ppm; diagonal): 2 out of 5 assignments used, quality = 1.00: * HE3 LYS 65 + HE3 LYS 65 OK 100 100 - 100 HE2 LYS 65 + HE2 LYS 65 OK 100 100 - 100 HE3 LYS 14 - HE3 LYS 14 OK 43 43 - 100 HE2 LYS 14 - HE2 LYS 14 OK 32 32 - 100 HE3 LYS 17 - HE3 LYS 17 OK 29 29 - 100 Peak 2997 from cnoeabs.peaks (8.26, 3.61, 65.20 ppm; 3.38 A): 1 out of 7 assignments used, quality = 1.00: * H VAL 66 + HA VAL 66 OK 100 100 - 100 - 3.0=100 H LYS 64 - HA VAL 66 OK 19 60 - 33 - ~1041=6, 4.6/4182=5...(12) H ASP 88 - HA VAL 66 OK 17 96 - 18 - 822=4, 998/3.6=4...(5) H GLU 77 - HA VAL 66 lone 8 100 - 8 - 310/3.6=2, 3007/3.2=1...(5) H ALA 86 - HA VAL 66 lone 5 96 - 5 - H GLU 22 - HA VAL 66 lone 4 60 - 7 - 4.0/2999=2 H GLY 16 - HA VAL 66 lone 2 63 - 3 - Peak 2998 from cnoeabs.peaks (3.61, 3.61, 65.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 66 + HA VAL 66 OK 100 100 - 100 Peak 2999 from cnoeabs.peaks (1.84, 3.61, 65.20 ppm; 3.44 A): 1 out of 11 assignments used, quality = 1.00: * HB VAL 66 + HA VAL 66 OK 100 100 - 100 - 3.0=100 HB3 GLU 37 - HA VAL 66 OK 37 85 - 44 - 3003=8, 1.8/3003=4...(22) HB2 GLU 37 - HA VAL 66 OK 27 65 - 42 - 1.8/3003=6, 3003=6...(20) HB2 GLU 22 - HA VAL 66 OK 21 100 - 21 - 4450/3.2=2, ~4463=2...(7) HG3 PRO 19 - HA VAL 66 OK 18 71 - 25 - ~5461=3, 4374/3.2=3...(11) HB2 LYS 44 - HA VAL 66 poor 9 63 - 14 - ~5466=2, 2.9/4183=1...(4) HB3 PRO 84 - HA VAL 66 lone 8 96 - 8 - 312/3.6=2 HB2 GLU 49 - HA VAL 66 lone 7 100 - 7 - HB3 GLU 33 - HA VAL 66 lone 5 63 - 8 - ~4652=4 HG2 PRO 81 - HA VAL 66 lone 3 87 - 3 - HB3 LYS 78 - HA VAL 66 lone 3 63 - 4 - Peak 3000 from cnoeabs.peaks (1.04, 3.61, 65.20 ppm; 3.07 A): 1 out of 3 assignments used, quality = 0.96: * QG2 VAL 66 + HA VAL 66 OK 96 100 - 96 - 3.2=89, 2.1/3013=20...(15) QD2 LEU 34 - HA VAL 66 OK 15 85 - 17 - 824/3.0=2, 313/3.6=2...(6) HG2 LYS 56 - HA VAL 66 OK 12 68 - 17 - 824/3.0=2, 2.9/4183=2...(6) Peak 3001 from cnoeabs.peaks (1.12, 3.61, 65.20 ppm; 3.27 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 66 + HA VAL 66 OK 100 100 - 100 - 3.2=100 QG2 THR 13 - HA VAL 66 OK 31 93 - 33 - 3013=8, 4043/3.6=5...(10) HG3 LYS 14 - HA VAL 66 OK 10 87 - 12 - 3011/3.2=2, 825/3.0=2...(4) HG12 ILE 35 - HA VAL 66 poor 8 68 - 11 - 3011/3.2=1, ~2142=1...(5) Peak 3002 from cnoeabs.peaks (8.26, 1.84, 31.97 ppm; 3.05 A): 5 out of 28 assignments used, quality = 0.87: * H VAL 66 + HB VAL 66 OK 77 100 - 77 - 4.0=46, 824/2.1=24...(7) H VAL 66 + HB3 GLU 37 OK 16 78 - 21 - 823=5, 3.0/3003=3...(9) H ASP 88 + HB VAL 66 OK 14 96 - 14 - 3007/2.1=4, 823=3...(5) H LYS 64 + HB VAL 66 OK 13 60 - 23 - 4.6/5392=8, 3007/2.1=5...(6) H VAL 66 + HB2 GLU 37 OK 11 59 - 19 - 823/1.8=4, 823=3...(9) H GLU 77 - HB VAL 66 lone 7 100 - 7 - 3007/2.1=2, 3012/2.1=1 H GLU 22 - HB VAL 66 lone 5 60 - 9 - 3.0/1550=1, 5.0/1574=1 H ALA 86 - HB VAL 66 lone 4 96 - 4 - 3007/2.1=1 H VAL 66 - HB2 LYS 44 lone 3 38 - 8 - 823=1, 5477/4.0=1 H GLY 16 - HB VAL 66 lone 2 63 - 3 - H ALA 86 - HB3 GLU 37 lone 2 70 - 3 - H GLU 77 - HB3 GLU 37 lone 2 78 - 2 - H GLU 22 - HB3 GLU 37 lone 2 40 - 4 - H ASP 88 - HB3 GLU 37 lone 2 70 - 2 - H GLU 77 - HB2 GLU 37 lone 1 59 - 2 - H LYS 64 - HB3 GLU 37 lone 1 40 - 3 - 4.6/5392=1 H GLU 22 - HB2 GLU 37 lone 1 29 - 4 - H ALA 86 - HB2 GLU 37 lone 1 53 - 2 - H ASP 88 - HB2 GLU 37 lone 1 53 - 2 - H LYS 64 - HB2 LYS 44 lone 1 18 - 5 - H ASP 88 - HB2 LYS 44 lone 1 33 - 2 - H GLU 77 - HB2 LYS 44 lone 1 38 - 2 - H GLU 22 - HB2 LYS 44 lone 1 18 - 3 - H LYS 64 - HB2 GLU 37 lone 1 29 - 2 - H ALA 86 - HB2 LYS 44 lone 0 33 - 1 - H GLY 16 - HB3 GLU 37 lone 0 42 - 1 - H GLY 16 - HB2 LYS 44 lone 0 19 - 1 - H GLY 16 - HB2 GLU 37 lone 0 30 - 1 - Peak 3003 from cnoeabs.peaks (3.61, 1.84, 31.97 ppm; 3.48 A): 1 out of 12 assignments used, quality = 1.00: * HA VAL 66 + HB VAL 66 OK 100 100 - 100 - 3.0=100 HA VAL 66 - HB3 GLU 37 OK 34 78 - 44 - 2999=8, 2999/1.8=4...(22) HA VAL 66 - HB2 GLU 37 OK 25 59 - 42 - 2999=6, 2999/1.8=6...(20) HD3 ARG 27 - HB VAL 66 OK 20 73 - 28 - 3008/2.1=5, 3013/2.1=4...(13) HA2 GLY 54 - HB VAL 66 OK 12 63 - 19 - ~5379=3, 3008/2.1=3...(7) HA VAL 66 - HB2 LYS 44 poor 6 38 - 14 - ~5466=2, 2999=2...(4) HD3 ARG 27 - HB3 GLU 37 lone 4 50 - 9 - HD3 ARG 27 - HB2 GLU 37 lone 3 36 - 8 - HD3 ARG 27 - HB2 LYS 44 poor 2 23 - 10 - 1810/3.7=1, ~2272=1 HA2 GLY 54 - HB3 GLU 37 lone 1 42 - 2 - HA2 GLY 54 - HB2 GLU 37 lone 1 30 - 2 - HA2 GLY 54 - HB2 LYS 44 lone 0 19 - 2 - Peak 3004 from cnoeabs.peaks (1.84, 1.84, 31.97 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: * HB VAL 66 + HB VAL 66 OK 100 100 - 100 HB3 GLU 37 + HB3 GLU 37 OK 60 60 - 100 HB2 GLU 37 - HB2 GLU 37 OK 32 32 - 100 HB2 LYS 44 - HB2 LYS 44 OK 19 19 - 100 Peak 3005 from cnoeabs.peaks (1.04, 1.84, 31.97 ppm; 2.94 A): 1 out of 12 assignments used, quality = 1.00: * QG2 VAL 66 + HB VAL 66 OK 100 100 - 100 - 2.1=100 QG2 VAL 66 - HB3 GLU 37 OK 27 78 - 35 - 3009=7, 2.1/3006=4...(18) QD2 LEU 34 - HB3 GLU 37 OK 22 60 - 37 - 6195/3.0=8, ~6196=6...(12) QG2 VAL 66 - HB2 GLU 37 OK 19 59 - 33 - 3009=5, 3009/1.8=5...(16) QD2 LEU 34 - HB VAL 66 OK 18 85 - 20 - 3015/2.1=3, 3000/3.0=3...(8) QD2 LEU 34 - HB2 GLU 37 OK 15 44 - 35 - 6195/3.0=8, ~6196=6...(12) HG2 LYS 56 - HB VAL 66 poor 9 68 - 13 - 3000/3.0=2, 3015/2.1=2...(5) HG2 LYS 56 - HB2 LYS 44 poor 7 21 - 34 - ~2273=3, 2645/1.8=2...(16) QG2 VAL 66 - HB2 LYS 44 poor 5 38 - 14 - 5466/1.8=3, 3009=2, 5465/2.9=1 QD2 LEU 34 - HB2 LYS 44 poor 4 27 - 14 - 4684/4.0=2, 4669/4.8=2 HG2 LYS 56 - HB3 GLU 37 lone 3 46 - 7 - HG2 LYS 56 - HB2 GLU 37 lone 2 33 - 6 - Peak 3006 from cnoeabs.peaks (1.12, 1.84, 31.97 ppm; 3.01 A): 1 out of 16 assignments used, quality = 1.00: * QG1 VAL 66 + HB VAL 66 OK 100 100 - 100 - 2.1=100 QG2 THR 13 - HB VAL 66 OK 30 93 - 32 - 3011/2.1=6, 3014=5...(12) QG1 VAL 66 - HB3 GLU 37 OK 28 78 - 36 - 3014=5, 2.1/3009=4...(18) QG1 VAL 66 - HB2 GLU 37 OK 20 59 - 34 - 3014/1.8=4, 3014=4...(16) HG3 LYS 14 - HB VAL 66 OK 13 87 - 15 - 3011/2.1=3, 4.9/6170=2...(6) HG12 ILE 35 - HB VAL 66 poor 8 68 - 11 - 3011/2.1=2, ~2142=2...(6) QG1 VAL 66 - HB2 LYS 44 poor 5 38 - 13 - ~5466=2, 3014=1...(4) QG2 THR 13 - HB3 GLU 37 lone 3 68 - 5 - HG12 ILE 35 - HB3 GLU 37 lone 3 46 - 6 - QG2 THR 13 - HB2 LYS 44 lone 3 32 - 8 - 1210/3.0=1, ~2267=1 QG2 THR 13 - HB2 GLU 37 lone 2 50 - 4 - HG3 LYS 14 - HB2 LYS 44 lone 2 28 - 7 - 1257/2.9=1 HG12 ILE 35 - HB2 LYS 44 lone 2 21 - 9 - 3925/4.0=2, 2132/3.0=2...(4) HG3 LYS 14 - HB3 GLU 37 lone 2 61 - 3 - HG12 ILE 35 - HB2 GLU 37 lone 2 33 - 5 - HG3 LYS 14 - HB2 GLU 37 lone 1 45 - 2 - Peak 3007 from cnoeabs.peaks (8.26, 1.04, 22.54 ppm; 3.09 A): 3 out of 7 assignments used, quality = 0.86: * H VAL 66 + QG2 VAL 66 OK 79 100 - 79 - 4.0=46, 3.0/3000=19...(10) H LYS 64 + QG2 VAL 66 OK 23 60 - 38 - 4.6/5395=9, 4.4/5397=7...(12) H ASP 88 + QG2 VAL 66 OK 16 96 - 17 - 824=5, 3002/2.1=3...(5) H GLU 77 - QG2 VAL 66 lone 7 100 - 7 - 3012/2.1=1, 3002/2.1=1...(4) H ALA 86 - QG2 VAL 66 lone 4 96 - 4 - H GLU 22 - QG2 VAL 66 lone 3 60 - 6 - 4.0/3009=1 H GLY 16 - QG2 VAL 66 lone 3 63 - 4 - Peak 3008 from cnoeabs.peaks (3.61, 1.04, 22.54 ppm; 3.10 A): 1 out of 3 assignments used, quality = 0.97: * HA VAL 66 + QG2 VAL 66 OK 97 100 - 97 - 3.2=91, 3013/2.1=20...(15) HD3 ARG 27 - QG2 VAL 66 OK 17 73 - 23 - 3013/2.1=3, 3.0/5466=3...(12) HA2 GLY 54 - QG2 VAL 66 poor 10 63 - 15 - 1.8/5462=3, ~5379=2...(6) Peak 3009 from cnoeabs.peaks (1.84, 1.04, 22.54 ppm; 3.00 A): 1 out of 11 assignments used, quality = 1.00: * HB VAL 66 + QG2 VAL 66 OK 100 100 - 100 - 2.1=100 HB3 GLU 37 - QG2 VAL 66 OK 30 85 - 36 - 3005=6, 3006/2.1=4...(19) HB2 GLU 37 - QG2 VAL 66 OK 22 65 - 34 - 3005=4, 1.8/3005=4...(17) HB2 GLU 22 - QG2 VAL 66 OK 16 100 - 16 - ~4463=2, 3014/2.1=2...(6) HG3 PRO 19 - QG2 VAL 66 OK 16 71 - 22 - 2.3/5461=3, 4374/2.1=3...(9) HB2 LYS 44 - QG2 VAL 66 poor 9 63 - 14 - 1.8/5466=3, 2.9/5465=1, 3005=1 HB3 PRO 84 - QG2 VAL 66 lone 6 96 - 6 - 312/4.3=1 HB2 GLU 49 - QG2 VAL 66 lone 6 100 - 6 - HB3 GLU 33 - QG2 VAL 66 lone 5 63 - 8 - ~4652=4 HG2 PRO 81 - QG2 VAL 66 lone 2 87 - 2 - HB3 LYS 78 - QG2 VAL 66 lone 2 63 - 2 - Peak 3010 from cnoeabs.peaks (1.04, 1.04, 22.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 66 + QG2 VAL 66 OK 100 100 - 100 Peak 3011 from cnoeabs.peaks (1.12, 1.04, 22.54 ppm; 2.87 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 66 + QG2 VAL 66 OK 100 100 - 100 - 2.1=100 QG2 THR 13 - QG2 VAL 66 OK 28 93 - 30 - 3015=6, 3006/2.1=4...(13) HG3 LYS 14 - QG2 VAL 66 OK 12 87 - 13 - 4.0/5462=2, 3006/2.1=2 HG12 ILE 35 - QG2 VAL 66 poor 8 68 - 11 - ~2142=1, ~2149=1...(5) Peak 3012 from cnoeabs.peaks (8.26, 1.12, 21.65 ppm; 3.51 A): 2 out of 14 assignments used, quality = 0.93: * H VAL 66 + QG1 VAL 66 OK 91 100 - 91 - 4.0=66, 824/2.1=29...(10) H VAL 66 + QG2 THR 13 OK 22 80 - 27 - 825=8, 3.0/3001=6...(5) H LYS 64 - QG1 VAL 66 OK 20 60 - 33 - 4.6/5394=10, 3007/2.1=7...(11) H ASP 88 - QG1 VAL 66 OK 18 96 - 19 - 825=5, 3007/2.1=5...(5) H GLU 77 - QG1 VAL 66 OK 10 100 - 10 - 3007/2.1=2, 3002/2.1=2...(4) H GLU 22 - QG1 VAL 66 poor 7 60 - 12 - 5.0/4463=3, 5.0/4460=2...(4) H ALA 86 - QG1 VAL 66 lone 5 96 - 5 - 3007/2.1=1 H GLY 16 - QG1 VAL 66 lone 4 63 - 6 - 4.6/4316=2 H LYS 64 - QG2 THR 13 lone 4 41 - 9 - 4.6/5394=4 H GLU 77 - QG2 THR 13 lone 4 80 - 4 - H GLU 22 - QG2 THR 13 lone 3 41 - 8 - 5.0/4463=2, 5.0/4460=2 H GLY 16 - QG2 THR 13 lone 3 44 - 7 - 4.6/4316=5 H ASP 88 - QG2 THR 13 lone 3 73 - 4 - H ALA 86 - QG2 THR 13 lone 1 73 - 2 - Peak 3013 from cnoeabs.peaks (3.61, 1.12, 21.65 ppm; 3.15 A): 1 out of 6 assignments used, quality = 0.98: * HA VAL 66 + QG1 VAL 66 OK 98 100 - 98 - 3.2=95, 3000/2.1=26...(15) HA VAL 66 - QG2 THR 13 OK 26 80 - 32 - 3001=9, 3.6/4043=5...(9) HD3 ARG 27 - QG1 VAL 66 OK 17 73 - 23 - 3008/2.1=4, 3003/2.1=3...(12) HA2 GLY 54 - QG1 VAL 66 poor 10 63 - 15 - 1.8/5379=4, 3008/2.1=3...(5) HA2 GLY 54 - QG2 THR 13 lone 1 44 - 3 - 1.8/5379=1 HD3 ARG 27 - QG2 THR 13 lone 1 52 - 2 - Peak 3014 from cnoeabs.peaks (1.84, 1.12, 21.65 ppm; 2.83 A): 1 out of 22 assignments used, quality = 1.00: * HB VAL 66 + QG1 VAL 66 OK 100 100 - 100 - 2.1=100 HB3 GLU 37 - QG1 VAL 66 OK 27 85 - 33 - 3006=5, 3009/2.1=4...(16) HB VAL 66 - QG2 THR 13 OK 24 80 - 30 - 3006=6, 2.1/3011=5...(11) HB2 GLU 37 - QG1 VAL 66 OK 20 65 - 31 - 1.8/3006=4, 3006=4...(14) HB2 GLU 22 - QG1 VAL 66 OK 15 100 - 15 - 3.0/4463=3, 3009/2.1=2...(4) HG3 PRO 19 - QG1 VAL 66 OK 15 71 - 22 - 2.3/4350=2, 2.3/4359=2...(11) HB3 PRO 84 - QG1 VAL 66 lone 7 96 - 7 - HG3 PRO 19 - QG2 THR 13 poor 7 50 - 14 - 2.3/4350=3, 2.3/4359=2...(7) HB2 LYS 44 - QG1 VAL 66 poor 7 63 - 11 - ~5466=2, 3009/2.1=1 HB2 GLU 49 - QG1 VAL 66 lone 6 100 - 6 - HB2 GLU 22 - QG2 THR 13 lone 6 80 - 7 - 3.0/4463=2, 3.0/4460=2 HB3 GLU 33 - QG1 VAL 66 lone 5 63 - 7 - 1.8/4652=4 HB2 LYS 44 - QG2 THR 13 lone 3 44 - 7 - HG2 PRO 81 - QG1 VAL 66 lone 3 87 - 3 - HB3 GLU 37 - QG2 THR 13 lone 3 62 - 4 - HB3 PRO 84 - QG2 THR 13 lone 2 73 - 3 - HB3 GLU 33 - QG2 THR 13 lone 2 44 - 4 - 1.8/4652=3 HB2 GLU 37 - QG2 THR 13 lone 2 46 - 3 - HB3 LYS 78 - QG1 VAL 66 lone 2 63 - 2 - HG2 PRO 81 - QG2 THR 13 lone 1 64 - 2 - HB2 GLU 49 - QG2 THR 13 lone 1 80 - 1 - HB3 LYS 78 - QG2 THR 13 lone 1 44 - 1 - Peak 3015 from cnoeabs.peaks (1.04, 1.12, 21.65 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * QG2 VAL 66 + QG1 VAL 66 OK 100 100 - 100 - 2.1=100 QG2 VAL 66 - QG2 THR 13 OK 17 80 - 21 - 3011=5, 2.1/3006=3...(6) QD2 LEU 34 - QG1 VAL 66 poor 10 85 - 11 - 3000/3.2=2, 3005/2.1=2 HG2 LYS 56 - QG1 VAL 66 lone 6 68 - 9 - 3000/3.2=1 QD2 LEU 34 - QG2 THR 13 lone 1 62 - 1 - HG2 LYS 56 - QG2 THR 13 lone 0 48 - 1 - Peak 3016 from cnoeabs.peaks (1.12, 1.12, 21.65 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 66 + QG1 VAL 66 OK 100 100 - 100 QG2 THR 13 + QG2 THR 13 OK 70 70 - 100 Peak 3017 from cnoeabs.peaks (7.41, 3.80, 55.50 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 67 + HA ALA 67 OK 100 100 - 100 - 2.9=100 Peak 3018 from cnoeabs.peaks (3.80, 3.80, 55.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 67 + HA ALA 67 OK 100 100 - 100 Peak 3019 from cnoeabs.peaks (1.37, 3.80, 55.50 ppm; 2.80 A): 1 out of 11 assignments used, quality = 1.00: * QB ALA 67 + HA ALA 67 OK 100 100 - 100 - 2.1=100 QB ALA 69 - HA ALA 67 OK 35 93 - 38 - 3.6/1060=8, 2.9/1053=7...(12) HB2 LYS 64 - HA ALA 67 OK 30 98 - 30 - ~4172=8, ~4170=5...(10) HG2 LYS 68 - HA ALA 67 OK 25 100 - 25 - 3053/3.6=7, ~5520=4...(5) HB3 LEU 12 - HA ALA 67 lone 10 100 - 10 - 3.1/4271=1, 317/3.6=1, 828/2.9=1 HB3 LYS 56 - HA ALA 67 lone 8 99 - 8 - HG2 LYS 44 - HA ALA 67 lone 8 100 - 8 - 833/3.6=1 HD3 LYS 56 - HA ALA 67 lone 5 78 - 6 - HG2 LYS 91 - HA ALA 67 lone 3 83 - 4 - HG3 LYS 91 - HA ALA 67 lone 3 83 - 4 - QB ALA 89 - HA ALA 67 lone 2 92 - 2 - Peak 3020 from cnoeabs.peaks (7.41, 1.37, 18.31 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 67 + QB ALA 67 OK 100 100 - 100 - 2.9=100 Peak 3021 from cnoeabs.peaks (3.80, 1.37, 18.31 ppm; 3.01 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 67 + QB ALA 67 OK 100 100 - 100 - 2.1=100 HD3 PRO 19 - QB ALA 67 OK 28 98 - 28 - 827/2.9=5, 4358=3...(10) HD2 PRO 84 - QB ALA 67 OK 14 92 - 15 - 827/2.9=2, 316/3.7=2...(7) Peak 3022 from cnoeabs.peaks (1.37, 1.37, 18.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 67 + QB ALA 67 OK 100 100 - 100 Peak 3023 from cnoeabs.peaks (7.98, 3.54, 60.08 ppm; 3.75 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 68 + HA LYS 68 OK 100 100 - 100 - 3.0=100 H ASP 43 + HA LYS 68 OK 49 99 - 49 - 3033/3.0=10, 3043/3.0=9...(17) Peak 3024 from cnoeabs.peaks (3.54, 3.54, 60.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 68 + HA LYS 68 OK 100 100 - 100 Peak 3025 from cnoeabs.peaks (1.60, 3.54, 60.08 ppm; 3.65 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LYS 68 + HA LYS 68 OK 100 100 - 100 - 3.0=100 HB2 LEU 12 - HA LYS 68 OK 40 100 - 40 - 3045/3.0=4, 1169/3.9=4...(20) HG LEU 23 - HA LYS 68 OK 33 99 - 34 - 2.1/3028=5, 3045/3.0=4...(14) HD3 LYS 65 - HA LYS 68 OK 26 78 - 33 - 3.5/5540=4, 3045/3.0=3...(12) HD2 LYS 65 - HA LYS 68 OK 23 71 - 32 - 3.5/5540=4, 3045/3.0=3...(12) HG LEU 73 - HA LYS 68 OK 22 90 - 24 - 3.0/5540=3, 2.1/3028=3...(12) HG LEU 85 - HA LYS 68 OK 15 100 - 15 - ~5959=5, 831/3.0=2, 3.0/4195=1 HG LEU 87 - HA LYS 68 OK 15 99 - 15 - ~5959=5, 831/3.0=2 HB2 LEU 87 - HA LYS 68 OK 14 100 - 14 - ~5959=4, 831/3.0=2, 1.8/4195=1 HB3 LEU 85 - HA LYS 68 OK 14 96 - 14 - ~5959=4, 831/3.0=2, 1.8/4195=1 HD2 LYS 14 - HA LYS 68 OK 11 85 - 12 - 3045/3.0=1 HD3 LYS 14 - HA LYS 68 OK 10 83 - 12 - 3045/3.0=1 Peak 3026 from cnoeabs.peaks (1.29, 3.54, 60.08 ppm; 3.52 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LYS 68 + HA LYS 68 OK 100 100 - 100 - 3.0=100 HB2 LYS 26 - HA LYS 68 OK 41 90 - 45 - 3036/3.0=5, 1.8/4195=4...(23) HG3 LYS 56 - HA LYS 68 OK 29 95 - 30 - 3036/3.0=3, 3056/3.9=3...(15) HD3 LYS 44 - HA LYS 68 OK 25 100 - 25 - 3036/3.0=3, 832/3.0=3...(7) HG3 LYS 17 - HA LYS 68 OK 18 78 - 22 - 3036/3.0=2, 1.8/3030=2...(9) HG3 LYS 65 - HA LYS 68 OK 17 60 - 29 - 3.0/5540=5, 832/3.0=3...(10) QB ALA 60 - HA LYS 68 OK 14 89 - 16 - 5344/4871=3, 321/3.6=2...(7) HG3 LYS 31 - HA LYS 68 OK 10 99 - 10 - 3036/3.0=1 HG3 ARG 45 - HA LYS 68 lone 2 71 - 3 - Peak 3027 from cnoeabs.peaks (1.37, 3.54, 60.08 ppm; 3.63 A): 3 out of 12 assignments used, quality = 1.00: * HG2 LYS 68 + HA LYS 68 OK 97 100 - 97 - 3.9=79, 1.8/3064=33...(32) QB ALA 69 + HA LYS 68 OK 74 89 - 84 - 4.4=57, 3.6/1058=17...(17) QB ALA 67 + HA LYS 68 OK 67 100 - 67 - 4045/3.0=23, ~315=11...(17) HB2 LYS 64 - HA LYS 68 OK 40 99 - 40 - ~1051=10, ~4173=7...(15) HB3 LEU 12 - HA LYS 68 OK 36 99 - 37 - 1175/3.0=5, 1.8/3025=4...(16) HB3 LYS 56 - HA LYS 68 OK 33 97 - 34 - 2634/3.0=3, 2.9/3026=3...(11) HG2 LYS 44 - HA LYS 68 OK 27 100 - 27 - 2283/3.0=3, 3.0/3026=3...(10) HD3 LYS 56 - HA LYS 68 OK 20 71 - 28 - 3.0/3026=3, 1.8/4195=3...(10) QB ALA 89 - HA LYS 68 lone 7 96 - 7 - 2.9/4194=2, ~6026=1 HG2 LYS 91 - HA LYS 68 lone 5 89 - 5 - HG3 LYS 91 - HA LYS 68 lone 5 89 - 5 - QB ALA 86 - HA LYS 68 lone 2 65 - 3 - Peak 3028 from cnoeabs.peaks (0.80, 3.54, 60.08 ppm; 3.70 A): 1 out of 6 assignments used, quality = 0.97: * HG3 LYS 68 + HA LYS 68 OK 97 100 - 97 - 3.9=83, 3063/3.0=13...(34) QD2 LEU 79 - HA LYS 68 OK 39 87 - 45 - 5869/3.6=6, 3048/3.0=5...(18) QD1 LEU 23 - HA LYS 68 OK 35 92 - 38 - 3048/3.0=4, 3038/3.0=4...(17) QG1 VAL 47 - HA LYS 68 OK 32 85 - 37 - 4.3/4871=7, 2.1/5539=3...(20) QG2 ILE 35 - HA LYS 68 OK 30 81 - 38 - 3048/3.0=4, 3038/3.0=3...(19) QD1 LEU 73 - HA LYS 68 OK 20 65 - 31 - 3.1/5540=3, 2.1/3025=2...(15) Peak 3029 from cnoeabs.peaks (1.23, 3.54, 60.08 ppm; 4.38 A): 3 out of 9 assignments used, quality = 1.00: * HD2 LYS 68 + HA LYS 68 OK 99 100 - 99 - 5.2=58, 3.0/3064=36...(46) HD3 LYS 68 + HA LYS 68 OK 99 100 - 99 - 5.2=58, 3.0/3064=36...(46) HG3 LYS 26 + HA LYS 68 OK 45 83 - 55 - 2.9/3026=6, 1.8/5541=6...(24) HG13 ILE 35 - HA LYS 68 OK 41 100 - 41 - 2.1/4741=6, 3.2/3028=4...(18) QD1 LEU 34 - HA LYS 68 OK 37 98 - 38 - 4673/4882=8, 4866/4886=4...(16) HG2 LYS 17 - HA LYS 68 OK 29 95 - 31 - 1.8/3026=3, 3050/3.0=3...(12) HB2 LEU 79 - HA LYS 68 OK 26 68 - 38 - 3.1/3028=6, 3.1/5541=5...(15) HG2 LYS 14 - HA LYS 68 OK 11 73 - 14 - 3.0/3025=1, 3.0/3025=1 QG2 THR 83 - HA LYS 68 lone 6 95 - 6 - 835/3.0=1 Peak 3030 from cnoeabs.peaks (1.23, 3.54, 60.08 ppm; 4.38 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 68 + HA LYS 68 OK 99 100 - 99 - 5.2=58, 3.0/3064=36...(46) HD2 LYS 68 + HA LYS 68 OK 99 100 - 99 - 5.2=58, 3.0/3064=36...(46) HG3 LYS 26 - HA LYS 68 OK 44 81 - 55 - 2.9/3026=6, 1.8/5541=6...(23) HG13 ILE 35 - HA LYS 68 OK 41 100 - 41 - 2.1/4741=6, 3.2/3028=4...(18) QD1 LEU 34 - HA LYS 68 OK 37 97 - 38 - 4673/4882=8, 4866/4886=4...(16) HG2 LYS 17 - HA LYS 68 OK 29 96 - 31 - 1.8/3026=3, 3050/3.0=3...(12) HB2 LEU 79 - HA LYS 68 OK 27 71 - 38 - 3.1/3028=6, 3.1/5541=5...(15) HG2 LYS 14 - HA LYS 68 OK 10 71 - 14 - 3.0/3025=1, 3.0/3025=1 QG2 THR 83 - HA LYS 68 lone 6 93 - 6 - 835/3.0=1 Peak 3033 from cnoeabs.peaks (7.98, 1.60, 32.10 ppm; 3.61 A): 2 out of 2 assignments used, quality = 0.97: * H LYS 68 + HB2 LYS 68 OK 94 100 - 94 - 4.0=73, 3043/1.8=21...(22) H ASP 43 + HB2 LYS 68 OK 46 99 - 46 - 3043/1.8=11, 3023/3.0=9...(11) Peak 3034 from cnoeabs.peaks (3.54, 1.60, 32.10 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 68 + HB2 LYS 68 OK 100 100 - 100 - 3.0=100 Peak 3035 from cnoeabs.peaks (1.60, 1.60, 32.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 68 + HB2 LYS 68 OK 100 100 - 100 Peak 3036 from cnoeabs.peaks (1.29, 1.60, 32.10 ppm; 2.84 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LYS 68 + HB2 LYS 68 OK 100 100 - 100 - 1.8=100 HB2 LYS 26 - HB2 LYS 68 OK 33 90 - 36 - 3066/2.9=3, 3056/2.9=3...(20) HG3 LYS 56 - HB2 LYS 68 OK 23 95 - 25 - 3056/2.9=2, 3066/2.9=2...(10) HD3 LYS 44 - HB2 LYS 68 OK 20 100 - 20 - 3056/2.9=2, 3066/2.9=2...(6) HG3 LYS 65 - HB2 LYS 68 OK 15 60 - 25 - 3.7/4177=7, 1.8/2944=1...(10) HG3 LYS 17 - HB2 LYS 68 OK 15 78 - 18 - 1.8/3040=2, 3066/2.9=1...(5) QB ALA 60 - HB2 LYS 68 lone 9 89 - 10 - 3056/2.9=1, 321/4.3=1 HG3 LYS 31 - HB2 LYS 68 lone 7 99 - 7 - HG3 ARG 45 - HB2 LYS 68 lone 1 71 - 2 - Peak 3037 from cnoeabs.peaks (1.37, 1.60, 32.10 ppm; 3.38 A): 3 out of 12 assignments used, quality = 1.00: * HG2 LYS 68 + HB2 LYS 68 OK 100 100 - 100 - 2.9=100 HB3 LEU 12 + HB2 LYS 68 OK 48 99 - 49 - 1175=8, 3047/1.8=4...(25) QB ALA 69 + HB2 LYS 68 OK 45 89 - 51 - 2.9/320=12, ~321=7...(18) QB ALA 67 - HB2 LYS 68 OK 44 100 - 44 - 4045/4.0=15, 2.9/5520=11...(13) HB3 LYS 56 - HB2 LYS 68 OK 34 97 - 35 - 3047/1.8=4, 2.9/3036=3...(19) HG2 LYS 44 - HB2 LYS 68 OK 27 100 - 27 - 2283/1.8=4, 3.0/3036=3...(9) HB2 LYS 64 - HB2 LYS 68 OK 26 99 - 27 - 3047/1.8=3, 833/4.0=2...(9) HD3 LYS 56 - HB2 LYS 68 OK 22 71 - 30 - 3.0/3036=3, 2674/1.8=2...(10) QB ALA 89 - HB2 LYS 68 lone 5 96 - 6 - 2.9/6026=1 HG2 LYS 91 - HB2 LYS 68 lone 5 89 - 5 - HG3 LYS 91 - HB2 LYS 68 lone 5 89 - 5 - QB ALA 86 - HB2 LYS 68 lone 2 65 - 3 - Peak 3038 from cnoeabs.peaks (0.80, 1.60, 32.10 ppm; 4.09 A): 3 out of 6 assignments used, quality = 1.00: * HG3 LYS 68 + HB2 LYS 68 OK 100 100 - 100 - 2.9=100 QD2 LEU 79 + HB2 LYS 68 OK 55 87 - 64 - 3048/1.8=7, 2.1/5543=7...(32) QD1 LEU 23 + HB2 LYS 68 OK 53 92 - 57 - 3048/1.8=7, 1617=5...(26) QG2 ILE 35 - HB2 LYS 68 OK 44 81 - 55 - 3048/1.8=6, 3058/2.9=5...(30) QG1 VAL 47 - HB2 LYS 68 OK 34 85 - 41 - 3048/1.8=5, 3028/3.0=4...(18) QD1 LEU 73 - HB2 LYS 68 OK 26 65 - 40 - 6107/2.9=3, 3048/1.8=3...(19) Peak 3039 from cnoeabs.peaks (1.23, 1.60, 32.10 ppm; 3.40 A): 2 out of 9 assignments used, quality = 1.00: * HD2 LYS 68 + HB2 LYS 68 OK 98 100 - 98 - 3.5=95, ~3064=9...(24) HD3 LYS 68 + HB2 LYS 68 OK 98 100 - 98 - 3.5=95, ~3064=9...(24) HG3 LYS 26 - HB2 LYS 68 OK 39 83 - 47 - 1.8/5543=5, 2.9/3036=5...(28) HG13 ILE 35 - HB2 LYS 68 OK 33 100 - 33 - 3050/1.8=3, 2141/2.9=3...(18) HB2 LEU 79 - HB2 LYS 68 OK 25 68 - 37 - 3.1/5543=4, 3.1/3038=4...(18) QD1 LEU 34 - HB2 LYS 68 OK 23 98 - 24 - 3049/1.8=2, 3069/2.9=2...(11) HG2 LYS 17 - HB2 LYS 68 OK 21 95 - 22 - 1.8/3036=3, 3050/1.8=2...(7) HG2 LYS 14 - HB2 LYS 68 poor 8 73 - 10 - QG2 THR 83 - HB2 LYS 68 lone 4 95 - 5 - Peak 3040 from cnoeabs.peaks (1.23, 1.60, 32.10 ppm; 3.40 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 68 + HB2 LYS 68 OK 98 100 - 98 - 3.5=95, ~3064=9...(24) HD2 LYS 68 + HB2 LYS 68 OK 98 100 - 98 - 3.5=95, ~3064=9...(24) HG3 LYS 26 - HB2 LYS 68 OK 38 81 - 47 - 1.8/5543=5, 2.9/3036=5...(28) HG13 ILE 35 - HB2 LYS 68 OK 33 100 - 33 - 3050/1.8=3, 2141/2.9=3...(18) HB2 LEU 79 - HB2 LYS 68 OK 26 71 - 37 - 3.1/5543=4, 3.1/3038=4...(18) QD1 LEU 34 - HB2 LYS 68 OK 23 97 - 24 - 3049/1.8=2, 3069/2.9=2...(11) HG2 LYS 17 - HB2 LYS 68 OK 22 96 - 22 - 1.8/3036=3, 3050/1.8=2...(7) HG2 LYS 14 - HB2 LYS 68 poor 8 71 - 10 - QG2 THR 83 - HB2 LYS 68 lone 4 93 - 5 - Peak 3041 from cnoeabs.peaks (2.23, 1.60, 32.10 ppm; 5.03 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 68 + HB2 LYS 68 OK 100 100 - 100 - 4.9=100 HG2 GLU 33 + HB2 LYS 68 OK 58 99 - 59 - 3051/1.8=10, 3071/2.9=8...(19) HG2 GLU 77 - HB2 LYS 68 OK 39 99 - 39 - 5806=6, 3051/1.8=5...(11) HG2 GLU 25 - HB2 LYS 68 OK 35 98 - 36 - 3051/1.8=5, 3071/2.9=4...(13) HB2 PRO 84 - HB2 LYS 68 OK 28 60 - 47 - 2.3/5954=5, 2.3/3042=4...(24) HG3 MET 11 - HB2 LYS 68 OK 15 73 - 21 - ~4245=4, ~5538=3...(8) Peak 3042 from cnoeabs.peaks (1.99, 1.60, 32.10 ppm; 4.37 A): 2 out of 14 assignments used, quality = 0.96: * HE3 LYS 68 + HB2 LYS 68 OK 94 100 - 94 - 4.9=69, ~3094=16...(20) HB2 LEU 34 + HB2 LYS 68 OK 38 99 - 38 - 2081/3.5=5, 2081/3.5=5...(20) HG2 PRO 84 - HB2 LYS 68 OK 37 98 - 38 - 1.8/5545=4, 3052/1.8=3...(20) HB2 LEU 23 - HB2 LYS 68 OK 32 60 - 53 - 3.1/3038=5, 1.8/1596=5...(26) HB2 PRO 19 - HB2 LYS 68 OK 30 99 - 30 - 3052/1.8=3, 3072/2.9=2...(15) HB3 PRO 19 - HB2 LYS 68 OK 30 100 - 30 - 3052/1.8=3, 3072/2.9=2...(15) HG2 GLU 49 - HB2 LYS 68 OK 26 60 - 44 - ~4980=4, 1.8/5545=4...(18) HB2 GLU 25 - HB2 LYS 68 OK 25 99 - 25 - 3.0/3041=3, 1648/4.9=3...(11) HG2 PRO 19 - HB2 LYS 68 OK 15 65 - 23 - 5579/4.3=2, 2.3/4355=2...(11) HB2 GLU 77 - HB2 LYS 68 OK 14 63 - 22 - 3.0/5806=4, 3.0/5800=4...(9) HB2 GLN 58 - HB2 LYS 68 OK 12 68 - 18 - ~5287=2, ~5279=2...(9) HB2 LYS 78 - HB2 LYS 68 OK 11 99 - 11 - 3072/2.9=1, 3052/1.8=1 HB2 GLU 51 - HB2 LYS 68 OK 11 85 - 13 - ~5066=2, ~5059=1...(5) HB3 PRO 81 - HB2 LYS 68 lone 8 89 - 8 - Peak 3043 from cnoeabs.peaks (7.98, 1.29, 32.10 ppm; 3.94 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 68 + HB3 LYS 68 OK 99 100 - 99 - 4.0=95, 3033/1.8=28...(21) H ASP 43 + HB3 LYS 68 OK 52 99 - 53 - 3033/1.8=14, 3053/2.9=10...(11) Peak 3044 from cnoeabs.peaks (3.54, 1.29, 32.10 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 68 + HB3 LYS 68 OK 100 100 - 100 - 3.0=100 Peak 3045 from cnoeabs.peaks (1.60, 1.29, 32.10 ppm; 2.91 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LYS 68 + HB3 LYS 68 OK 100 100 - 100 - 1.8=100 HB2 LEU 12 - HB3 LYS 68 OK 32 100 - 33 - 1169/2.9=4, 1.8/3047=3...(14) HG LEU 23 - HB3 LYS 68 OK 27 99 - 28 - 2.1/3048=3, 3055/2.9=2...(12) HD3 LYS 65 - HB3 LYS 68 OK 22 78 - 28 - 4.6/4179=5, 3055/2.9=2...(6) HD2 LYS 65 - HB3 LYS 68 OK 19 71 - 28 - 4.6/4179=5, 3055/2.9=1...(5) HG LEU 73 - HB3 LYS 68 OK 17 90 - 19 - 2.1/3048=2, ~6107=1...(6) HD2 LYS 14 - HB3 LYS 68 poor 9 85 - 10 - HD3 LYS 14 - HB3 LYS 68 poor 9 83 - 10 - HB2 LEU 87 - HB3 LYS 68 lone 7 100 - 7 - HG LEU 85 - HB3 LYS 68 lone 7 100 - 7 - HB3 LEU 85 - HB3 LYS 68 lone 7 96 - 7 - HG LEU 87 - HB3 LYS 68 lone 7 99 - 7 - Peak 3046 from cnoeabs.peaks (1.29, 1.29, 32.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 68 + HB3 LYS 68 OK 100 100 - 100 Peak 3047 from cnoeabs.peaks (1.37, 1.29, 32.10 ppm; 3.18 A): 1 out of 12 assignments used, quality = 1.00: * HG2 LYS 68 + HB3 LYS 68 OK 100 100 - 100 - 2.9=100 QB ALA 69 - HB3 LYS 68 OK 40 89 - 46 - 2.9/321=10, ~4047=6...(18) QB ALA 67 - HB3 LYS 68 OK 39 100 - 39 - 4045/4.0=13, ~5520=8...(10) HB3 LEU 12 - HB3 LYS 68 OK 38 99 - 39 - 1175/1.8=6, 1.8/3045=5...(22) HB3 LYS 56 - HB3 LYS 68 OK 36 97 - 37 - 2634=4, 3037/1.8=3...(16) HG2 LYS 44 - HB3 LYS 68 OK 32 100 - 32 - 2283=5, 3037/1.8=2...(14) HB2 LYS 64 - HB3 LYS 68 OK 23 99 - 23 - 3037/1.8=2, 3.0/6047=2...(7) HD3 LYS 56 - HB3 LYS 68 OK 22 71 - 32 - 2674=3, 3.0/2644=2...(10) QB ALA 89 - HB3 LYS 68 lone 5 96 - 5 - HG3 LYS 91 - HB3 LYS 68 lone 4 89 - 4 - HG2 LYS 91 - HB3 LYS 68 lone 4 89 - 4 - QB ALA 86 - HB3 LYS 68 lone 1 65 - 2 - Peak 3048 from cnoeabs.peaks (0.80, 1.29, 32.10 ppm; 3.65 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 68 + HB3 LYS 68 OK 100 100 - 100 - 2.9=100 QD2 LEU 79 + HB3 LYS 68 OK 47 87 - 54 - 2.1/6047=6, 3038/1.8=5...(24) QD1 LEU 23 - HB3 LYS 68 OK 42 92 - 46 - 3038/1.8=5, 2.1/3045=4...(23) QG2 ILE 35 - HB3 LYS 68 OK 37 81 - 46 - 3038/1.8=4, 3058/2.9=4...(26) QG1 VAL 47 - HB3 LYS 68 OK 30 85 - 35 - 3058/2.9=3, 3028/3.0=3...(16) QD1 LEU 73 - HB3 LYS 68 OK 20 65 - 30 - 6107/2.9=3, 2.1/3045=3...(15) Peak 3049 from cnoeabs.peaks (1.23, 1.29, 32.10 ppm; 3.62 A): 3 out of 9 assignments used, quality = 1.00: * HD2 LYS 68 + HB3 LYS 68 OK 100 100 - 100 - 3.5=100 HD3 LYS 68 + HB3 LYS 68 OK 100 100 - 100 - 3.5=100 HG3 LYS 26 + HB3 LYS 68 OK 46 83 - 56 - 1.8/1700=5, 2.9/1690=5...(30) HG13 ILE 35 - HB3 LYS 68 OK 38 100 - 38 - 3040/1.8=4, 3.2/3048=3...(20) HB2 LEU 79 - HB3 LYS 68 OK 28 68 - 41 - 3.1/6047=5, 3.1/3048=5...(20) QD1 LEU 34 - HB3 LYS 68 OK 28 98 - 29 - 3039/1.8=3, 3069/2.9=2...(13) HG2 LYS 17 - HB3 LYS 68 OK 26 95 - 27 - 3040/1.8=2, 3070/2.9=2...(11) HG2 LYS 14 - HB3 LYS 68 OK 10 73 - 14 - 3.0/3045=1, 3.0/3045=1 QG2 THR 83 - HB3 LYS 68 lone 5 95 - 6 - Peak 3050 from cnoeabs.peaks (1.23, 1.29, 32.10 ppm; 3.62 A): 3 out of 9 assignments used, quality = 1.00: * HD3 LYS 68 + HB3 LYS 68 OK 100 100 - 100 - 3.5=100 HD2 LYS 68 + HB3 LYS 68 OK 100 100 - 100 - 3.5=100 HG3 LYS 26 + HB3 LYS 68 OK 45 81 - 56 - 1.8/1700=5, 2.9/1690=5...(30) HG13 ILE 35 - HB3 LYS 68 OK 38 100 - 38 - 3040/1.8=4, 3.2/3048=3...(20) HB2 LEU 79 - HB3 LYS 68 OK 29 71 - 41 - 3.1/6047=5, 3.1/3048=5...(20) QD1 LEU 34 - HB3 LYS 68 OK 28 97 - 29 - 3039/1.8=3, 3069/2.9=2...(13) HG2 LYS 17 - HB3 LYS 68 OK 26 96 - 27 - 3040/1.8=2, 3070/2.9=2...(11) HG2 LYS 14 - HB3 LYS 68 OK 10 71 - 14 - 3.0/3045=1, 3.0/3045=1 QG2 THR 83 - HB3 LYS 68 lone 5 93 - 5 - Peak 3051 from cnoeabs.peaks (2.23, 1.29, 32.10 ppm; 4.69 A): 2 out of 6 assignments used, quality = 0.99: * HE2 LYS 68 + HB3 LYS 68 OK 98 100 - 98 - 4.9=85, 3094/3.0=24...(23) HG2 GLU 33 + HB3 LYS 68 OK 58 99 - 58 - 1.8/4664=9, 3041/1.8=7...(19) HG2 GLU 77 - HB3 LYS 68 OK 32 99 - 32 - 5806/1.8=5, 3071/2.9=4...(12) HG2 GLU 25 - HB3 LYS 68 OK 32 98 - 32 - 3041/1.8=5, 3071/2.9=4...(13) HB2 PRO 84 - HB3 LYS 68 OK 25 60 - 41 - 3041/1.8=4, 2.3/3052=3...(23) HG3 MET 11 - HB3 LYS 68 OK 13 73 - 18 - 3.4/4245=3, ~5538=3...(8) Peak 3052 from cnoeabs.peaks (1.99, 1.29, 32.10 ppm; 4.68 A): 1 out of 14 assignments used, quality = 0.97: * HE3 LYS 68 + HB3 LYS 68 OK 97 100 - 97 - 4.9=85, ~3094=18...(21) HB2 LEU 34 - HB3 LYS 68 OK 43 99 - 44 - 2081/3.5=5, 2081/3.5=5...(20) HG2 PRO 84 - HB3 LYS 68 OK 39 98 - 40 - 3042/1.8=4, 2.3/3051=3...(21) HB2 LEU 23 - HB3 LYS 68 OK 35 60 - 58 - 3.1/3048=6, 3.0/3045=5...(31) HB2 PRO 19 - HB3 LYS 68 OK 33 99 - 33 - 3042/1.8=3, 3072/2.9=3...(16) HB3 PRO 19 - HB3 LYS 68 OK 33 100 - 33 - 3042/1.8=3, 3072/2.9=3...(16) HB2 GLU 25 - HB3 LYS 68 OK 31 99 - 31 - 4.6/605=4, 3.0/3051=4...(15) HG2 GLU 49 - HB3 LYS 68 OK 29 60 - 49 - 1.8/5546=5, ~4980=5...(18) HG2 PRO 19 - HB3 LYS 68 OK 17 65 - 26 - 5579/4.3=3, ~4355=2...(11) HB2 GLU 77 - HB3 LYS 68 OK 17 63 - 26 - 3.0/3051=4, ~5806=3...(10) HB2 GLU 51 - HB3 LYS 68 OK 15 85 - 18 - 1.8/5066=3, 3.0/5059=2...(8) HB2 GLN 58 - HB3 LYS 68 OK 14 68 - 21 - ~5287=3, ~5279=2...(9) HB2 LYS 78 - HB3 LYS 68 OK 13 99 - 13 - 3072/2.9=1, 3042/1.8=1...(4) HB3 PRO 81 - HB3 LYS 68 lone 9 89 - 10 - 2.3/5546=1 Peak 3053 from cnoeabs.peaks (7.98, 1.37, 25.66 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.97: * H LYS 68 + HG2 LYS 68 OK 95 100 - 95 - 4.9=57, 3033/2.9=23...(25) H ASP 43 + HG2 LYS 68 OK 53 99 - 53 - 3063/1.8=12, 3033/2.9=11...(11) Peak 3054 from cnoeabs.peaks (3.54, 1.37, 25.66 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 3.9=100 Peak 3055 from cnoeabs.peaks (1.60, 1.37, 25.66 ppm; 3.58 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 2.9=100 HB2 LEU 12 + HG2 LYS 68 OK 50 100 - 51 - 1169=8, 3.1/1190=4...(25) HG LEU 23 - HG2 LYS 68 OK 39 99 - 39 - 2.1/3058=5, 3065/1.8=4...(19) HD3 LYS 65 - HG2 LYS 68 OK 30 78 - 38 - 4.6/5556=6, 3045/2.9=3...(16) HD2 LYS 65 - HG2 LYS 68 OK 26 71 - 38 - 4.6/5556=6, 3045/2.9=3...(13) HG LEU 73 - HG2 LYS 68 OK 24 90 - 27 - 2.1/6107=4, 3065/1.8=2...(15) HD2 LYS 14 - HG2 LYS 68 OK 13 85 - 16 - 3065/1.8=1, 3045/2.9=1 HD3 LYS 14 - HG2 LYS 68 OK 13 83 - 15 - 3065/1.8=1, 3045/2.9=1 HB2 LEU 87 - HG2 LYS 68 OK 10 100 - 10 - HG LEU 87 - HG2 LYS 68 lone 10 99 - 10 - HG LEU 85 - HG2 LYS 68 lone 10 100 - 9 - HB3 LEU 85 - HG2 LYS 68 lone 9 96 - 10 - Peak 3056 from cnoeabs.peaks (1.29, 1.37, 25.66 ppm; 3.33 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 2.9=100 HB2 LYS 26 - HG2 LYS 68 OK 41 90 - 46 - 3066/1.8=5, 3036/2.9=4...(23) HD3 LYS 44 - HG2 LYS 68 OK 34 100 - 34 - 2310=4, 3066/1.8=4...(16) HG3 LYS 56 - HG2 LYS 68 OK 33 95 - 35 - 3066/1.8=4, 3036/2.9=3...(16) HG3 LYS 17 - HG2 LYS 68 OK 20 78 - 26 - 3066/1.8=3, 1.8/3060=2...(11) HG3 LYS 65 - HG2 LYS 68 OK 19 60 - 32 - 3.7/5556=6, 2.8/3055=2...(12) QB ALA 60 - HG2 LYS 68 OK 16 89 - 18 - 2.1/6046=3, 3066/1.8=2...(7) HG3 LYS 31 - HG2 LYS 68 OK 10 99 - 10 - 3066/1.8=1 HG3 ARG 45 - HG2 LYS 68 lone 2 71 - 3 - Peak 3057 from cnoeabs.peaks (1.37, 1.37, 25.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 68 + HG2 LYS 68 OK 100 100 - 100 Peak 3058 from cnoeabs.peaks (0.80, 1.37, 25.66 ppm; 2.99 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 1.8=100 QD2 LEU 79 - HG2 LYS 68 OK 32 87 - 37 - 3048/2.9=3, 3038/2.9=3...(18) QD1 LEU 23 - HG2 LYS 68 OK 27 92 - 30 - 3048/2.9=3, 2.1/3055=3...(14) QG2 ILE 35 - HG2 LYS 68 OK 27 81 - 34 - 2129/3.0=3, 2129/3.0=3...(16) QG1 VAL 47 - HG2 LYS 68 OK 22 85 - 26 - 4.3/4844=3, 2.1/5551=2...(13) QD1 LEU 73 - HG2 LYS 68 OK 14 65 - 21 - 6107=2, 2.1/3055=2...(7) Peak 3059 from cnoeabs.peaks (1.23, 1.37, 25.66 ppm; 3.38 A): 2 out of 9 assignments used, quality = 1.00: * HD2 LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 3.0=100 HD3 LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 3.0=100 HG13 ILE 35 - HG2 LYS 68 OK 36 100 - 36 - 2141/1.8=4, 3.2/3058=3...(18) HG3 LYS 26 - HG2 LYS 68 OK 36 83 - 43 - 2.9/3056=4, 3069/1.8=3...(24) QD1 LEU 34 - HG2 LYS 68 OK 29 98 - 30 - 3069/1.8=3, 3049/2.9=2...(14) HB2 LEU 79 - HG2 LYS 68 OK 25 68 - 37 - 3.1/3058=4, 3390/1.8=3...(19) HG2 LYS 17 - HG2 LYS 68 OK 22 95 - 24 - 1.8/3056=3, 3070/1.8=2...(9) HG2 LYS 14 - HG2 LYS 68 poor 8 73 - 11 - 3.0/3055=1 QG2 THR 83 - HG2 LYS 68 lone 6 95 - 6 - Peak 3060 from cnoeabs.peaks (1.23, 1.37, 25.66 ppm; 3.38 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 3.0=100 HD2 LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 3.0=100 HG13 ILE 35 - HG2 LYS 68 OK 36 100 - 36 - 2141/1.8=4, 3.2/3058=3...(18) HG3 LYS 26 - HG2 LYS 68 OK 35 81 - 43 - 2.9/3056=4, 3069/1.8=3...(24) QD1 LEU 34 - HG2 LYS 68 OK 29 97 - 30 - 3069/1.8=3, 3049/2.9=2...(14) HB2 LEU 79 - HG2 LYS 68 OK 26 71 - 37 - 3.1/3058=4, 3390/1.8=4...(19) HG2 LYS 17 - HG2 LYS 68 OK 23 96 - 24 - 1.8/3056=3, 3070/1.8=2...(9) HG2 LYS 14 - HG2 LYS 68 poor 8 71 - 11 - 3.0/3055=1 QG2 THR 83 - HG2 LYS 68 lone 6 93 - 6 - Peak 3061 from cnoeabs.peaks (2.23, 1.37, 25.66 ppm; 5.61 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 3.7=100 HG2 GLU 33 + HG2 LYS 68 OK 66 99 - 66 - 3071/1.8=11, ~4663=10...(19) HG2 GLU 77 - HG2 LYS 68 OK 39 99 - 39 - 3071/1.8=6, 5806/2.9=6...(14) HG2 GLU 25 - HG2 LYS 68 OK 38 98 - 38 - 3071/1.8=6, 3051/2.9=5...(14) HB2 PRO 84 - HG2 LYS 68 OK 32 60 - 53 - 3071/1.8=5, 2.3/3062=4...(22) HG3 MET 11 - HG2 LYS 68 OK 15 73 - 20 - ~4245=4, 3041/2.9=2...(6) Peak 3062 from cnoeabs.peaks (1.99, 1.37, 25.66 ppm; 4.86 A): 2 out of 14 assignments used, quality = 1.00: * HE3 LYS 68 + HG2 LYS 68 OK 100 100 - 100 - 3.7=100 HB2 LEU 34 + HG2 LYS 68 OK 46 99 - 47 - 2081/3.0=6, 2081/3.0=6...(18) HG2 PRO 84 - HG2 LYS 68 OK 44 98 - 45 - 3072/1.8=4, 1.8/5551=4...(20) HB3 PRO 19 - HG2 LYS 68 OK 39 100 - 39 - 2.3/4379=4, 2.3/4377=4...(17) HB2 PRO 19 - HG2 LYS 68 OK 39 99 - 39 - 2.3/4379=4, 2.3/4377=4...(17) HG2 GLU 49 - HG2 LYS 68 OK 35 60 - 58 - 1.8/4980=9, 3.0/4966=7...(20) HB2 LEU 23 - HG2 LYS 68 OK 34 60 - 57 - 3.1/3058=6, 3.0/3055=5...(29) HB2 GLU 25 - HG2 LYS 68 OK 31 99 - 31 - 1648/3.7=5, 3.0/3061=3...(15) HB2 GLN 58 - HG2 LYS 68 OK 23 68 - 34 - 2.9/5277=4, 2.9/5283=4...(12) HG2 PRO 19 - HG2 LYS 68 OK 20 65 - 31 - 1.8/4377=4, 2.3/4349=3...(13) HB2 GLU 77 - HG2 LYS 68 OK 17 63 - 27 - 3.0/3061=4, ~3071=3...(13) HB2 GLU 51 - HG2 LYS 68 OK 16 85 - 18 - 3.0/5058=2, ~5066=2...(8) HB2 LYS 78 - HG2 LYS 68 OK 15 99 - 15 - 3072/1.8=2, ~5815=1...(6) HB3 PRO 81 - HG2 LYS 68 OK 11 89 - 12 - 2.3/5551=1 Peak 3063 from cnoeabs.peaks (7.98, 0.80, 25.66 ppm; 4.58 A): 2 out of 2 assignments used, quality = 0.99: * H LYS 68 + HG3 LYS 68 OK 99 100 - 99 - 4.9=81, 3.0/3064=38...(21) H ASP 43 + HG3 LYS 68 OK 60 99 - 61 - 3053/1.8=16, 3033/2.9=13...(12) Peak 3064 from cnoeabs.peaks (3.54, 0.80, 25.66 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 68 + HG3 LYS 68 OK 100 100 - 100 - 3.9=99, 3.0/3063=15...(34) Peak 3065 from cnoeabs.peaks (1.60, 0.80, 25.66 ppm; 4.06 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LYS 68 + HG3 LYS 68 OK 100 100 - 100 - 2.9=100 HB2 LEU 12 + HG3 LYS 68 OK 52 100 - 53 - 1169/1.8=8, 1.8/3067=5...(25) HG LEU 23 + HG3 LYS 68 OK 49 99 - 50 - 3055/1.8=5, 3045/2.9=4...(27) HD3 LYS 65 - HG3 LYS 68 OK 35 78 - 45 - 3055/1.8=4, 3045/2.9=3...(21) HD2 LYS 65 - HG3 LYS 68 OK 31 71 - 45 - 3055/1.8=3, 3045/2.9=3...(21) HG LEU 73 - HG3 LYS 68 OK 31 90 - 35 - ~6107=4, 3055/1.8=3...(19) HD2 LYS 14 - HG3 LYS 68 OK 17 85 - 19 - 3055/1.8=2, 3045/2.9=1, ~3055=1 HD3 LYS 14 - HG3 LYS 68 OK 16 83 - 19 - 3055/1.8=2, 3045/2.9=1, ~3055=1 HG LEU 85 - HG3 LYS 68 OK 13 100 - 12 - 3025/3.9=1, 3055/1.8=1...(4) HG LEU 87 - HG3 LYS 68 OK 12 99 - 12 - 3055/1.8=1, 3025/3.9=1...(4) HB2 LEU 87 - HG3 LYS 68 OK 12 100 - 12 - 3055/1.8=1, 831/4.9=1...(4) HB3 LEU 85 - HG3 LYS 68 OK 12 96 - 12 - 3055/1.8=1, 3025/3.9=1...(4) Peak 3066 from cnoeabs.peaks (1.29, 0.80, 25.66 ppm; 3.47 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LYS 68 + HG3 LYS 68 OK 100 100 - 100 - 2.9=100 HB2 LYS 26 - HG3 LYS 68 OK 44 90 - 49 - 3056/1.8=6, 3036/2.9=5...(25) HG3 LYS 56 - HG3 LYS 68 OK 32 95 - 34 - 3056/1.8=4, 3036/2.9=3...(18) HD3 LYS 44 - HG3 LYS 68 OK 29 100 - 29 - 3056/1.8=5, 3036/2.9=3...(12) HG3 LYS 17 - HG3 LYS 68 OK 22 78 - 28 - 3056/1.8=3, 1.8/3070=2...(14) HG3 LYS 65 - HG3 LYS 68 OK 18 60 - 30 - 3056/1.8=3, 3036/2.9=2...(13) QB ALA 60 - HG3 LYS 68 OK 15 89 - 17 - ~6046=2, 3056/1.8=2...(5) HG3 LYS 31 - HG3 LYS 68 OK 11 99 - 11 - 3056/1.8=1, 3036/2.9=1 HG3 ARG 45 - HG3 LYS 68 lone 2 71 - 3 - Peak 3067 from cnoeabs.peaks (1.37, 0.80, 25.66 ppm; 2.91 A): 1 out of 12 assignments used, quality = 1.00: * HG2 LYS 68 + HG3 LYS 68 OK 100 100 - 100 - 1.8=100 QB ALA 69 - HG3 LYS 68 OK 37 89 - 42 - 4.4/3064=11, 2.9/323=5...(16) QB ALA 67 - HG3 LYS 68 OK 32 100 - 32 - 4045/4.9=7, ~5520=5...(13) HB3 LEU 12 - HG3 LYS 68 OK 30 99 - 31 - 1175/2.9=4, ~1169=3...(15) HB3 LYS 56 - HG3 LYS 68 OK 25 97 - 26 - 2.9/3066=2, 3047/2.9=2...(11) HG2 LYS 44 - HG3 LYS 68 OK 20 100 - 20 - 2283/2.9=2, 3.0/3066=2...(4) HB2 LYS 64 - HG3 LYS 68 OK 19 99 - 19 - 3037/2.9=1, 3047/2.9=1...(8) HD3 LYS 56 - HG3 LYS 68 OK 15 71 - 22 - 3.0/3066=2, 2674/2.9=1...(4) HG2 LYS 91 - HG3 LYS 68 lone 3 89 - 4 - HG3 LYS 91 - HG3 LYS 68 lone 3 89 - 4 - QB ALA 89 - HG3 LYS 68 lone 3 96 - 3 - QB ALA 86 - HG3 LYS 68 lone 1 65 - 2 - Peak 3068 from cnoeabs.peaks (0.80, 0.80, 25.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 68 + HG3 LYS 68 OK 100 100 - 100 Peak 3069 from cnoeabs.peaks (1.23, 0.80, 25.66 ppm; 3.33 A): 2 out of 9 assignments used, quality = 1.00: * HD2 LYS 68 + HG3 LYS 68 OK 100 100 - 100 - 3.0=100 HD3 LYS 68 + HG3 LYS 68 OK 100 100 - 100 - 3.0=100 HG13 ILE 35 - HG3 LYS 68 OK 40 100 - 40 - 2141=4, 3060/1.8=3...(20) HG3 LYS 26 - HG3 LYS 68 OK 35 83 - 43 - 2.9/3066=4, 3059/1.8=3...(24) QD1 LEU 34 - HG3 LYS 68 OK 29 98 - 30 - 3059/1.8=3, 4673/4862=2...(14) HB2 LEU 79 - HG3 LYS 68 OK 28 68 - 40 - 1.8/3397=5, 3390=4...(22) HG2 LYS 17 - HG3 LYS 68 OK 24 95 - 25 - 1.8/3066=3, 3060/1.8=2...(11) HG2 LYS 14 - HG3 LYS 68 poor 8 73 - 10 - QG2 THR 83 - HG3 LYS 68 lone 5 95 - 5 - Peak 3070 from cnoeabs.peaks (1.23, 0.80, 25.66 ppm; 3.33 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 68 + HG3 LYS 68 OK 100 100 - 100 - 3.0=100 HD2 LYS 68 + HG3 LYS 68 OK 100 100 - 100 - 3.0=100 HG13 ILE 35 - HG3 LYS 68 OK 40 100 - 40 - 2141=4, 3060/1.8=3...(20) HG3 LYS 26 - HG3 LYS 68 OK 34 81 - 43 - 2.9/3066=4, 3059/1.8=3...(24) QD1 LEU 34 - HG3 LYS 68 OK 29 97 - 30 - 3059/1.8=3, 4673/4862=2...(14) HB2 LEU 79 - HG3 LYS 68 OK 29 71 - 41 - 1.8/3397=5, 3390=4...(22) HG2 LYS 17 - HG3 LYS 68 OK 24 96 - 25 - 1.8/3066=3, 3060/1.8=2...(11) HG2 LYS 14 - HG3 LYS 68 poor 7 71 - 10 - QG2 THR 83 - HG3 LYS 68 lone 5 93 - 5 - Peak 3071 from cnoeabs.peaks (2.23, 0.80, 25.66 ppm; 4.81 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 68 + HG3 LYS 68 OK 100 100 - 100 - 3.7=100 HG2 GLU 33 + HG3 LYS 68 OK 60 99 - 61 - 1.8/4663=10, 4657=9...(19) HG2 GLU 77 - HG3 LYS 68 OK 33 99 - 33 - 5806/2.9=5, 3051/2.9=4...(10) HG2 GLU 25 - HG3 LYS 68 OK 31 98 - 32 - 3051/2.9=4, 3111/3.7=4...(13) HB2 PRO 84 - HG3 LYS 68 OK 26 60 - 44 - 2.3/3072=4, 2.3/5550=4...(22) HG3 MET 11 - HG3 LYS 68 OK 12 73 - 16 - ~4245=3, 3.4/6101=2...(6) Peak 3072 from cnoeabs.peaks (1.99, 0.80, 25.66 ppm; 4.40 A): 1 out of 14 assignments used, quality = 1.00: * HE3 LYS 68 + HG3 LYS 68 OK 100 100 - 100 - 3.7=100 HB2 LEU 34 - HG3 LYS 68 OK 42 99 - 42 - 2081/3.0=5, 2081/3.0=5...(20) HG2 PRO 84 - HG3 LYS 68 OK 38 98 - 39 - 1.8/5550=3, 3042/2.9=3...(20) HG2 GLU 49 - HG3 LYS 68 OK 33 60 - 56 - 1.8/4981=6, 3.0/4969=6...(19) HB3 PRO 19 - HG3 LYS 68 OK 31 100 - 31 - 3062/1.8=3, 3042/2.9=3...(15) HB2 PRO 19 - HG3 LYS 68 OK 31 99 - 31 - 3062/1.8=3, 3042/2.9=3...(15) HB2 LEU 23 - HG3 LYS 68 OK 31 60 - 52 - 1.8/1598=5, 3.0/3065=4...(29) HB2 GLU 25 - HG3 LYS 68 OK 26 99 - 26 - 1648/3.7=4, 3.0/3071=3...(13) HB2 GLN 58 - HG3 LYS 68 OK 20 68 - 29 - 2.9/5279=4, 1.8/5287=4...(10) HB2 LYS 78 - HG3 LYS 68 OK 16 99 - 16 - 4.4/896=2, 2.8/5815=1...(4) HG2 PRO 19 - HG3 LYS 68 OK 16 65 - 24 - ~4377=3, 4379/1.8=3...(10) HB2 GLU 77 - HG3 LYS 68 OK 14 63 - 22 - 3.0/3071=3, ~3061=2...(10) HB2 GLU 51 - HG3 LYS 68 OK 11 85 - 13 - ~5066=2, ~6086=1...(6) HB3 PRO 81 - HG3 LYS 68 poor 9 89 - 10 - Peak 3073 from cnoeabs.peaks (7.98, 1.23, 28.78 ppm; 4.82 A): 4 out of 4 assignments used, quality = 1.00: * H LYS 68 + HD2 LYS 68 OK 98 100 - 98 - 5.8=57, 3033/3.5=27...(25) H LYS 68 + HD3 LYS 68 OK 98 100 - 98 - 5.8=57, 3033/3.5=27...(25) H ASP 43 + HD2 LYS 68 OK 60 99 - 60 - 3053/3.0=14, 3063/3.0=13...(8) H ASP 43 + HD3 LYS 68 OK 60 99 - 60 - 3053/3.0=14, 3063/3.0=13...(8) Peak 3074 from cnoeabs.peaks (3.54, 1.23, 28.78 ppm; 4.86 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 68 + HD2 LYS 68 OK 100 100 - 100 - 5.2=80, 3064/3.0=41...(46) HA LYS 68 + HD3 LYS 68 OK 100 100 - 100 - 5.2=80, 3064/3.0=41...(46) Peak 3075 from cnoeabs.peaks (1.60, 1.23, 28.78 ppm; 4.11 A): 6 out of 24 assignments used, quality = 1.00: * HB2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 - 3.5=100 HB2 LYS 68 + HD3 LYS 68 OK 100 100 - 100 - 3.5=100 HB2 LEU 12 + HD2 LYS 68 OK 53 100 - 54 - 1169/3.0=6, 3045/3.5=4...(30) HB2 LEU 12 + HD3 LYS 68 OK 53 100 - 54 - 1169/3.0=6, 3045/3.5=4...(30) HG LEU 23 + HD2 LYS 68 OK 50 99 - 50 - 3055/3.0=4, 3065/3.0=4...(25) HG LEU 23 + HD3 LYS 68 OK 50 99 - 50 - 3055/3.0=4, 3065/3.0=4...(25) HD3 LYS 65 - HD3 LYS 68 OK 38 78 - 49 - 4.6/5555=6, 3055/3.0=3...(25) HD3 LYS 65 - HD2 LYS 68 OK 38 78 - 49 - 4.6/5555=6, 3055/3.0=3...(25) HG LEU 73 - HD2 LYS 68 OK 35 90 - 39 - ~6107=3, ~6105=3...(20) HG LEU 73 - HD3 LYS 68 OK 35 90 - 39 - ~6107=3, ~6105=3...(20) HD2 LYS 65 - HD3 LYS 68 OK 34 71 - 48 - 4.6/5555=6, 3055/3.0=3...(26) HD2 LYS 65 - HD2 LYS 68 OK 34 71 - 48 - 4.6/5555=6, 3055/3.0=3...(26) HD2 LYS 14 - HD2 LYS 68 OK 21 85 - 24 - 3055/3.0=1, 3065/3.0=1...(5) HD2 LYS 14 - HD3 LYS 68 OK 21 85 - 24 - 3055/3.0=1, 3065/3.0=1...(5) HD3 LYS 14 - HD2 LYS 68 OK 21 83 - 24 - 3055/3.0=1, 3065/3.0=1...(5) HD3 LYS 14 - HD3 LYS 68 OK 21 83 - 24 - 3055/3.0=1, 3065/3.0=1...(5) HB2 LEU 87 - HD2 LYS 68 OK 12 100 - 11 - 3055/3.0=1, 3065/3.0=1 HB2 LEU 87 - HD3 LYS 68 OK 12 100 - 11 - 3055/3.0=1, 3065/3.0=1 HG LEU 85 - HD2 LYS 68 OK 11 100 - 11 - 3065/3.0=1, 3055/3.0=1 HG LEU 85 - HD3 LYS 68 OK 11 100 - 11 - 3065/3.0=1, 3055/3.0=1 HG LEU 87 - HD2 LYS 68 OK 11 99 - 11 - 3055/3.0=1, 3065/3.0=1 HG LEU 87 - HD3 LYS 68 OK 11 99 - 11 - 3055/3.0=1, 3065/3.0=1 HB3 LEU 85 - HD2 LYS 68 OK 11 96 - 11 - HB3 LEU 85 - HD3 LYS 68 OK 11 96 - 11 - Peak 3076 from cnoeabs.peaks (1.29, 1.23, 28.78 ppm; 3.31 A): 4 out of 18 assignments used, quality = 1.00: * HB3 LYS 68 + HD2 LYS 68 OK 96 100 - 96 - 3.5=88, 1.8/3040=10...(22) HB3 LYS 68 + HD3 LYS 68 OK 96 100 - 96 - 3.5=88, 1.8/3040=10...(22) HB2 LYS 26 + HD2 LYS 68 OK 51 90 - 57 - 1683=5, 1683/1.8=4...(28) HB2 LYS 26 + HD3 LYS 68 OK 51 90 - 57 - 1683=4, 1683/1.8=4...(27) HG3 LYS 56 - HD2 LYS 68 OK 31 95 - 33 - 3056/3.0=3, 3066/3.0=3...(11) HG3 LYS 56 - HD3 LYS 68 OK 31 94 - 33 - 3056/3.0=3, 3066/3.0=3...(11) HG3 LYS 17 - HD3 LYS 68 OK 26 78 - 33 - 1373=2, 1373/1.8=2...(13) HG3 LYS 17 - HD2 LYS 68 OK 26 78 - 33 - 1373=2, 1373/1.8=2...(13) HD3 LYS 44 - HD2 LYS 68 OK 25 100 - 25 - 3056/3.0=3, 3066/3.0=3...(7) HD3 LYS 44 - HD3 LYS 68 OK 25 100 - 25 - 3056/3.0=3, 3066/3.0=3...(7) HG3 LYS 65 - HD3 LYS 68 OK 16 60 - 26 - 3.7/5555=4, 3056/3.0=2...(6) HG3 LYS 65 - HD2 LYS 68 OK 16 60 - 26 - 3.7/5555=4, 3056/3.0=2...(6) QB ALA 60 - HD2 LYS 68 OK 11 89 - 12 - 3056/3.0=2, ~6046=1, 3066/3.0=1 QB ALA 60 - HD3 LYS 68 OK 11 89 - 12 - 3056/3.0=2, ~6046=1, 3066/3.0=1 HG3 LYS 31 - HD2 LYS 68 lone 9 99 - 9 - 3106/3.0=1, 3066/3.0=1 HG3 LYS 31 - HD3 LYS 68 lone 9 99 - 9 - 3106/3.0=1, 3066/3.0=1 HG3 ARG 45 - HD2 LYS 68 lone 2 71 - 3 - HG3 ARG 45 - HD3 LYS 68 lone 2 71 - 3 - Peak 3077 from cnoeabs.peaks (1.37, 1.23, 28.78 ppm; 3.17 A): 2 out of 24 assignments used, quality = 1.00: * HG2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 - 3.0=100 HG2 LYS 68 + HD3 LYS 68 OK 100 100 - 100 - 3.0=100 QB ALA 69 - HD2 LYS 68 OK 36 89 - 41 - 4.4/3074=5, 3067/3.0=3...(20) QB ALA 69 - HD3 LYS 68 OK 36 89 - 41 - 4.4/3074=5, 3067/3.0=3...(20) HB3 LEU 12 - HD2 LYS 68 OK 34 99 - 35 - 1175/3.5=4, 3067/3.0=3...(15) HB3 LEU 12 - HD3 LYS 68 OK 34 99 - 35 - 1175/3.5=4, 3067/3.0=3...(15) QB ALA 67 - HD2 LYS 68 OK 32 100 - 32 - 4045/5.8=6, ~5520=5...(12) QB ALA 67 - HD3 LYS 68 OK 31 100 - 32 - 4045/5.8=6, ~5520=5...(12) HB3 LYS 56 - HD2 LYS 68 OK 30 97 - 31 - 3067/3.0=2, 2634/3.5=2...(8) HB3 LYS 56 - HD3 LYS 68 OK 30 97 - 31 - 3067/3.0=2, 2634/3.5=2...(8) HB2 LYS 64 - HD2 LYS 68 OK 24 99 - 24 - 3.0/5422=3, 3.0/5434=2...(9) HB2 LYS 64 - HD3 LYS 68 OK 24 99 - 24 - 3.0/5422=3, 3.0/5434=2...(9) HG2 LYS 44 - HD2 LYS 68 OK 21 100 - 21 - 2283/3.5=2, 3067/3.0=2...(6) HG2 LYS 44 - HD3 LYS 68 OK 21 100 - 21 - 2283/3.5=2, 3067/3.0=2...(6) HD3 LYS 56 - HD2 LYS 68 OK 19 71 - 27 - 3067/3.0=1, 2674/3.5=1...(6) HD3 LYS 56 - HD3 LYS 68 OK 19 71 - 27 - 3067/3.0=1, 2674/3.5=1...(6) HG3 LYS 91 - HD2 LYS 68 lone 4 89 - 4 - HG2 LYS 91 - HD2 LYS 68 lone 4 89 - 4 - HG2 LYS 91 - HD3 LYS 68 lone 4 89 - 4 - HG3 LYS 91 - HD3 LYS 68 lone 4 89 - 4 - QB ALA 89 - HD2 LYS 68 lone 3 96 - 3 - QB ALA 89 - HD3 LYS 68 lone 3 96 - 3 - QB ALA 86 - HD2 LYS 68 lone 1 65 - 2 - QB ALA 86 - HD3 LYS 68 lone 1 65 - 2 - Peak 3078 from cnoeabs.peaks (0.80, 1.23, 28.78 ppm; 3.41 A): 4 out of 12 assignments used, quality = 1.00: * HG3 LYS 68 + HD2 LYS 68 OK 100 100 - 100 - 3.0=100 HG3 LYS 68 + HD3 LYS 68 OK 100 100 - 100 - 3.0=100 QG2 ILE 35 + HD2 LYS 68 OK 46 81 - 58 - 2129=7, 2.1/2122=5...(20) QG2 ILE 35 + HD3 LYS 68 OK 46 81 - 57 - 2129=7, 2.1/2122=5...(20) QD2 LEU 79 - HD3 LYS 68 OK 45 87 - 52 - 3058/3.0=4, 3048/3.5=4...(25) QD2 LEU 79 - HD2 LYS 68 OK 45 87 - 51 - 3058/3.0=4, 3048/3.5=4...(25) QD1 LEU 23 - HD3 LYS 68 OK 36 92 - 39 - 3058/3.0=4, 3048/3.5=3...(17) QD1 LEU 23 - HD2 LYS 68 OK 36 92 - 39 - 3058/3.0=4, 3048/3.5=3...(17) QG1 VAL 47 - HD2 LYS 68 OK 30 85 - 35 - 3058/3.0=3, 2.1/4839=3...(18) QG1 VAL 47 - HD3 LYS 68 OK 30 85 - 35 - 3058/3.0=3, 2.1/4839=3...(18) QD1 LEU 73 - HD2 LYS 68 OK 17 65 - 26 - 6107/3.0=2, 6104/3.0=2...(8) QD1 LEU 73 - HD3 LYS 68 OK 17 65 - 26 - 6107/3.0=2, 6104/3.0=2...(8) Peak 3079 from cnoeabs.peaks (1.23, 1.23, 28.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 HD3 LYS 68 + HD3 LYS 68 OK 100 100 - 100 Peak 3080 from cnoeabs.peaks (1.23, 1.23, 28.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 68 + HD3 LYS 68 OK 100 100 - 100 HD2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 Reference assignment not found: HD3 LYS 68 - HD2 LYS 68 Peak 3081 from cnoeabs.peaks (2.23, 1.23, 28.78 ppm; 3.59 A): 2 out of 12 assignments used, quality = 1.00: * HE2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 - 3.0=100 HE2 LYS 68 + HD3 LYS 68 OK 100 100 - 100 - 3.0=100 HG2 GLU 33 - HD2 LYS 68 OK 36 99 - 37 - 3071/3.0=4, 3051/3.5=4...(16) HG2 GLU 33 - HD3 LYS 68 OK 36 99 - 37 - 3071/3.0=4, 3051/3.5=4...(16) HG2 GLU 25 - HD2 LYS 68 OK 25 98 - 26 - 3111/3.0=3, 3071/3.0=2...(10) HG2 GLU 25 - HD3 LYS 68 OK 25 98 - 26 - 3111/3.0=3, 3071/3.0=2...(10) HB2 PRO 84 - HD2 LYS 68 OK 22 60 - 37 - 3.0/5951=3, 3.0/5950=2...(21) HB2 PRO 84 - HD3 LYS 68 OK 22 60 - 37 - 3.0/5951=3, 3.0/5950=2...(21) HG2 GLU 77 - HD2 LYS 68 OK 21 99 - 21 - 5806/3.5=2, 3111/3.0=2...(7) HG2 GLU 77 - HD3 LYS 68 OK 21 99 - 21 - 5806/3.5=2, 3111/3.0=2...(7) HG3 MET 11 - HD2 LYS 68 lone 6 73 - 8 - ~4245=1 HG3 MET 11 - HD3 LYS 68 lone 6 73 - 8 - ~4245=1 Peak 3082 from cnoeabs.peaks (1.99, 1.23, 28.78 ppm; 3.61 A): 4 out of 28 assignments used, quality = 1.00: * HE3 LYS 68 + HD2 LYS 68 OK 100 100 - 100 - 3.0=100 HE3 LYS 68 + HD3 LYS 68 OK 100 100 - 100 - 3.0=100 HB2 LEU 34 + HD2 LYS 68 OK 49 99 - 50 - 2081=5, 1.8/2088=5...(19) HB2 LEU 34 + HD3 LYS 68 OK 49 99 - 50 - 2081=5, 1.8/2088=5...(19) HG2 PRO 84 - HD2 LYS 68 OK 38 98 - 39 - 2.3/5951=4, 2.3/5950=3...(20) HG2 PRO 84 - HD3 LYS 68 OK 38 98 - 39 - 2.3/5951=3, ~5951=3...(20) HB2 GLU 25 - HD2 LYS 68 OK 28 99 - 28 - 1648/3.0=4, 4.1/4502=2...(14) HB2 GLU 25 - HD3 LYS 68 OK 28 99 - 28 - 1648/3.0=4, 4.1/4502=2...(14) HG2 GLU 49 - HD2 LYS 68 OK 24 60 - 40 - 3.0/4967=3, 3.0/4987=3...(21) HG2 GLU 49 - HD3 LYS 68 OK 24 60 - 40 - 3.0/4967=3, 3.0/4987=3...(21) HB3 PRO 19 - HD2 LYS 68 OK 23 100 - 23 - 3072/3.0=2, 3042/3.5=2...(9) HB3 PRO 19 - HD3 LYS 68 OK 23 100 - 23 - 3072/3.0=2, 3042/3.5=2...(9) HB2 LEU 23 - HD2 LYS 68 OK 23 60 - 39 - ~1598=2, 3.1/3078=2...(23) HB2 LEU 23 - HD3 LYS 68 OK 23 60 - 39 - ~1598=2, 3.1/3088=2...(23) HB2 PRO 19 - HD2 LYS 68 OK 23 99 - 23 - 3072/3.0=2, 3042/3.5=2...(9) HB2 PRO 19 - HD3 LYS 68 OK 23 99 - 23 - 3072/3.0=2, 3042/3.5=2...(9) HB2 GLU 77 - HD3 LYS 68 OK 12 63 - 18 - 3.0/3091=1, ~3071=1...(6) HB2 GLU 77 - HD2 LYS 68 OK 12 63 - 18 - 3.0/3091=1, ~3071=1...(6) HG2 PRO 19 - HD2 LYS 68 OK 11 65 - 17 - 4379/3.0=1, ~4377=1...(4) HG2 PRO 19 - HD3 LYS 68 OK 11 65 - 17 - 4379/3.0=1, ~4377=1...(4) HB2 LYS 78 - HD3 LYS 68 lone 10 99 - 10 - HB2 LYS 78 - HD2 LYS 68 lone 10 99 - 10 - HB2 GLN 58 - HD2 LYS 68 poor 9 68 - 14 - 4.6/5313=2, ~5287=1...(8) HB2 GLN 58 - HD3 LYS 68 poor 9 68 - 14 - 4.6/5313=2, ~5287=1...(8) HB2 GLU 51 - HD2 LYS 68 lone 7 85 - 8 - HB2 GLU 51 - HD3 LYS 68 lone 7 85 - 8 - HB3 PRO 81 - HD2 LYS 68 lone 6 89 - 7 - 3.9/5923=1 HB3 PRO 81 - HD3 LYS 68 lone 6 89 - 7 - 3.9/5923=1 Peak 3083 from cnoeabs.peaks (7.98, 1.23, 28.78 ppm; 4.82 A): 4 out of 4 assignments used, quality = 1.00: H LYS 68 + HD2 LYS 68 OK 98 100 - 98 - 5.8=57, 3033/3.5=27...(25) * H LYS 68 + HD3 LYS 68 OK 98 100 - 98 - 5.8=57, 3033/3.5=27...(25) H ASP 43 + HD2 LYS 68 OK 60 99 - 60 - 3053/3.0=14, 3063/3.0=13...(8) H ASP 43 + HD3 LYS 68 OK 60 99 - 60 - 3053/3.0=14, 3063/3.0=13...(8) Peak 3084 from cnoeabs.peaks (3.54, 1.23, 28.78 ppm; 4.86 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 68 + HD3 LYS 68 OK 100 100 - 100 - 5.2=80, 3064/3.0=41...(46) HA LYS 68 + HD2 LYS 68 OK 100 100 - 100 - 5.2=80, 3064/3.0=41...(46) Peak 3085 from cnoeabs.peaks (1.60, 1.23, 28.78 ppm; 4.11 A): 6 out of 24 assignments used, quality = 1.00: * HB2 LYS 68 + HD3 LYS 68 OK 100 100 - 100 - 3.5=100 HB2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 - 3.5=100 HB2 LEU 12 + HD3 LYS 68 OK 53 100 - 54 - 1169/3.0=6, 3045/3.5=4...(30) HB2 LEU 12 + HD2 LYS 68 OK 53 100 - 54 - 1169/3.0=6, 3045/3.5=4...(30) HG LEU 23 + HD3 LYS 68 OK 50 99 - 50 - 3055/3.0=4, 3065/3.0=4...(25) HG LEU 23 + HD2 LYS 68 OK 50 99 - 50 - 3055/3.0=4, 3065/3.0=4...(25) HD3 LYS 65 - HD3 LYS 68 OK 38 78 - 49 - 4.6/5555=6, 3055/3.0=3...(24) HD3 LYS 65 - HD2 LYS 68 OK 38 78 - 49 - 4.6/5555=6, 3055/3.0=3...(25) HG LEU 73 - HD3 LYS 68 OK 35 90 - 39 - ~6107=3, ~6105=3...(20) HG LEU 73 - HD2 LYS 68 OK 35 90 - 39 - ~6107=3, ~6105=3...(20) HD2 LYS 65 - HD3 LYS 68 OK 34 71 - 48 - 4.6/5555=6, 3055/3.0=3...(25) HD2 LYS 65 - HD2 LYS 68 OK 34 71 - 48 - 4.6/5555=6, 3055/3.0=3...(26) HD2 LYS 14 - HD2 LYS 68 OK 21 85 - 24 - 3055/3.0=1, 3065/3.0=1...(5) HD2 LYS 14 - HD3 LYS 68 OK 21 85 - 24 - 3055/3.0=1, 3065/3.0=1...(5) HD3 LYS 14 - HD2 LYS 68 OK 20 83 - 24 - 3055/3.0=1, 3065/3.0=1...(5) HD3 LYS 14 - HD3 LYS 68 OK 20 83 - 24 - 3055/3.0=1, 3065/3.0=1...(5) HB2 LEU 87 - HD2 LYS 68 OK 12 100 - 11 - 3055/3.0=1, 3065/3.0=1 HB2 LEU 87 - HD3 LYS 68 OK 12 100 - 11 - 3055/3.0=1, 3065/3.0=1 HG LEU 85 - HD2 LYS 68 OK 11 100 - 11 - 3065/3.0=1, 3055/3.0=1 HG LEU 85 - HD3 LYS 68 OK 11 100 - 11 - 3065/3.0=1, 3055/3.0=1 HG LEU 87 - HD3 LYS 68 OK 11 99 - 11 - 3055/3.0=1, 3065/3.0=1 HG LEU 87 - HD2 LYS 68 OK 11 99 - 11 - 3055/3.0=1, 3065/3.0=1 HB3 LEU 85 - HD3 LYS 68 OK 11 96 - 11 - HB3 LEU 85 - HD2 LYS 68 OK 11 96 - 11 - Peak 3086 from cnoeabs.peaks (1.29, 1.23, 28.78 ppm; 3.31 A): 4 out of 18 assignments used, quality = 1.00: * HB3 LYS 68 + HD3 LYS 68 OK 96 100 - 96 - 3.5=88, 1.8/3040=10...(22) HB3 LYS 68 + HD2 LYS 68 OK 96 100 - 96 - 3.5=88, 1.8/3040=10...(22) HB2 LYS 26 + HD2 LYS 68 OK 51 90 - 57 - 1683=5, 1683/1.8=4...(28) HB2 LYS 26 + HD3 LYS 68 OK 51 90 - 56 - 1683/1.8=4, 1683=4...(27) HG3 LYS 56 - HD3 LYS 68 OK 31 95 - 33 - 3056/3.0=3, 3066/3.0=3...(11) HG3 LYS 56 - HD2 LYS 68 OK 31 94 - 33 - 3056/3.0=3, 3066/3.0=3...(11) HG3 LYS 17 - HD3 LYS 68 OK 26 78 - 33 - 1373=2, 1373/1.8=2...(14) HG3 LYS 17 - HD2 LYS 68 OK 26 78 - 33 - 1373=2, 1373/1.8=2...(13) HD3 LYS 44 - HD2 LYS 68 OK 25 100 - 25 - 3056/3.0=3, 3066/3.0=3...(7) HD3 LYS 44 - HD3 LYS 68 OK 25 100 - 25 - 3056/3.0=3, 3066/3.0=3...(7) HG3 LYS 65 - HD3 LYS 68 OK 16 60 - 26 - 3.7/5555=4, 3056/3.0=2...(6) HG3 LYS 65 - HD2 LYS 68 OK 16 60 - 26 - 3.7/5555=4, 3056/3.0=2...(6) QB ALA 60 - HD2 LYS 68 OK 11 89 - 12 - 3056/3.0=2, ~6046=1, 3066/3.0=1 QB ALA 60 - HD3 LYS 68 OK 11 89 - 12 - 3056/3.0=2, ~6046=1, 3066/3.0=1 HG3 LYS 31 - HD2 LYS 68 lone 9 99 - 9 - 3106/3.0=1, 3066/3.0=1 HG3 LYS 31 - HD3 LYS 68 lone 9 99 - 9 - 3106/3.0=1, 3066/3.0=1 HG3 ARG 45 - HD2 LYS 68 lone 2 71 - 3 - HG3 ARG 45 - HD3 LYS 68 lone 2 71 - 3 - Peak 3087 from cnoeabs.peaks (1.37, 1.23, 28.78 ppm; 3.17 A): 2 out of 24 assignments used, quality = 1.00: * HG2 LYS 68 + HD3 LYS 68 OK 100 100 - 100 - 3.0=100 HG2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 - 3.0=100 QB ALA 69 - HD3 LYS 68 OK 36 89 - 41 - 4.4/3084=5, 3067/3.0=3...(20) QB ALA 69 - HD2 LYS 68 OK 36 89 - 41 - 4.4/3084=5, 3067/3.0=3...(20) HB3 LEU 12 - HD3 LYS 68 OK 34 99 - 35 - 1175/3.5=4, 3067/3.0=3...(15) HB3 LEU 12 - HD2 LYS 68 OK 34 99 - 35 - 1175/3.5=4, 3067/3.0=3...(15) QB ALA 67 - HD2 LYS 68 OK 31 100 - 32 - 4045/5.8=6, ~5520=5...(12) QB ALA 67 - HD3 LYS 68 OK 31 100 - 31 - 4045/5.8=6, ~5520=5...(12) HB3 LYS 56 - HD2 LYS 68 OK 30 97 - 31 - 3067/3.0=2, 2634/3.5=2...(8) HB3 LYS 56 - HD3 LYS 68 OK 30 97 - 31 - 3067/3.0=2, 2634/3.5=2...(8) HB2 LYS 64 - HD2 LYS 68 OK 24 99 - 24 - 3.0/5422=3, 3.0/5434=2...(9) HB2 LYS 64 - HD3 LYS 68 OK 24 99 - 24 - 3.0/5422=3, 3.0/5434=2...(9) HG2 LYS 44 - HD2 LYS 68 OK 21 100 - 21 - 2283/3.5=2, 3067/3.0=2...(6) HG2 LYS 44 - HD3 LYS 68 OK 21 100 - 21 - 2283/3.5=2, 3067/3.0=2...(6) HD3 LYS 56 - HD3 LYS 68 OK 19 71 - 27 - 3067/3.0=1, 2674/3.5=1...(6) HD3 LYS 56 - HD2 LYS 68 OK 19 71 - 27 - 3067/3.0=1, 2674/3.5=1...(6) HG3 LYS 91 - HD2 LYS 68 lone 4 89 - 4 - HG2 LYS 91 - HD2 LYS 68 lone 4 89 - 4 - HG2 LYS 91 - HD3 LYS 68 lone 4 89 - 4 - HG3 LYS 91 - HD3 LYS 68 lone 4 89 - 4 - QB ALA 89 - HD2 LYS 68 lone 3 96 - 3 - QB ALA 89 - HD3 LYS 68 lone 3 96 - 3 - QB ALA 86 - HD3 LYS 68 lone 1 65 - 2 - QB ALA 86 - HD2 LYS 68 lone 1 65 - 2 - Peak 3088 from cnoeabs.peaks (0.80, 1.23, 28.78 ppm; 3.41 A): 4 out of 12 assignments used, quality = 1.00: * HG3 LYS 68 + HD3 LYS 68 OK 100 100 - 100 - 3.0=100 HG3 LYS 68 + HD2 LYS 68 OK 100 100 - 100 - 3.0=100 QG2 ILE 35 + HD3 LYS 68 OK 46 81 - 57 - 2129=7, 2.1/2122=5...(20) QG2 ILE 35 + HD2 LYS 68 OK 46 81 - 58 - 2129=7, 2.1/2122=5...(20) QD2 LEU 79 - HD3 LYS 68 OK 45 87 - 52 - 3058/3.0=4, 3048/3.5=4...(26) QD2 LEU 79 - HD2 LYS 68 OK 45 87 - 52 - 3058/3.0=4, 3048/3.5=4...(25) QD1 LEU 23 - HD3 LYS 68 OK 36 92 - 39 - 3058/3.0=4, 3048/3.5=3...(17) QD1 LEU 23 - HD2 LYS 68 OK 36 92 - 39 - 3058/3.0=4, 3048/3.5=3...(17) QG1 VAL 47 - HD2 LYS 68 OK 30 85 - 35 - 3058/3.0=3, 2.1/4839=3...(18) QG1 VAL 47 - HD3 LYS 68 OK 30 85 - 35 - 3058/3.0=3, 2.1/4839=3...(18) QD1 LEU 73 - HD3 LYS 68 OK 17 65 - 26 - 6107/3.0=2, 6104/3.0=2...(8) QD1 LEU 73 - HD2 LYS 68 OK 17 65 - 26 - 6107/3.0=2, 6104/3.0=2...(8) Peak 3089 from cnoeabs.peaks (1.23, 1.23, 28.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 68 + HD3 LYS 68 OK 100 100 - 100 HD2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 Reference assignment not found: HD2 LYS 68 - HD3 LYS 68 Peak 3090 from cnoeabs.peaks (1.23, 1.23, 28.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 68 + HD3 LYS 68 OK 100 100 - 100 HD2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 Peak 3091 from cnoeabs.peaks (2.23, 1.23, 28.78 ppm; 3.59 A): 2 out of 12 assignments used, quality = 1.00: * HE2 LYS 68 + HD3 LYS 68 OK 100 100 - 100 - 3.0=100 HE2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 - 3.0=100 HG2 GLU 33 - HD2 LYS 68 OK 36 99 - 37 - 3071/3.0=4, 3051/3.5=4...(16) HG2 GLU 33 - HD3 LYS 68 OK 36 99 - 37 - 3071/3.0=4, 3051/3.5=4...(16) HG2 GLU 25 - HD2 LYS 68 OK 25 98 - 26 - 3111/3.0=3, 3071/3.0=2...(10) HG2 GLU 25 - HD3 LYS 68 OK 25 98 - 25 - 3111/3.0=3, 3071/3.0=2...(10) HB2 PRO 84 - HD3 LYS 68 OK 22 60 - 37 - 3.0/5951=3, 3.0/5950=2...(21) HB2 PRO 84 - HD2 LYS 68 OK 22 60 - 37 - 3.0/5951=3, 3.0/5950=2...(21) HG2 GLU 77 - HD3 LYS 68 OK 21 99 - 21 - 5806/3.5=2, 3111/3.0=2...(7) HG2 GLU 77 - HD2 LYS 68 OK 21 99 - 21 - 5806/3.5=2, 3111/3.0=2...(7) HG3 MET 11 - HD3 LYS 68 lone 6 73 - 8 - ~4245=1 HG3 MET 11 - HD2 LYS 68 lone 6 73 - 8 - ~4245=1 Peak 3092 from cnoeabs.peaks (1.99, 1.23, 28.78 ppm; 3.61 A): 4 out of 28 assignments used, quality = 1.00: * HE3 LYS 68 + HD3 LYS 68 OK 100 100 - 100 - 3.0=100 HE3 LYS 68 + HD2 LYS 68 OK 100 100 - 100 - 3.0=100 HB2 LEU 34 + HD2 LYS 68 OK 49 99 - 50 - 2081=5, 1.8/2088=5...(19) HB2 LEU 34 + HD3 LYS 68 OK 49 99 - 50 - 2081=5, 1.8/2088=5...(19) HG2 PRO 84 - HD2 LYS 68 OK 38 98 - 39 - 2.3/5951=3, 2.3/5950=3...(20) HG2 PRO 84 - HD3 LYS 68 OK 38 98 - 39 - 2.3/5951=3, ~5951=3...(20) HB2 GLU 25 - HD2 LYS 68 OK 28 99 - 28 - 1648/3.0=4, 4.1/4502=2...(14) HB2 GLU 25 - HD3 LYS 68 OK 28 99 - 28 - 1648/3.0=4, 4.1/4502=2...(14) HG2 GLU 49 - HD3 LYS 68 OK 24 60 - 40 - 3.0/4967=3, 3.0/4987=3...(21) HG2 GLU 49 - HD2 LYS 68 OK 24 60 - 40 - 3.0/4967=3, 3.0/4987=3...(21) HB3 PRO 19 - HD2 LYS 68 OK 23 100 - 23 - 3072/3.0=2, 3042/3.5=2...(9) HB3 PRO 19 - HD3 LYS 68 OK 23 100 - 23 - 3072/3.0=2, 3042/3.5=2...(9) HB2 LEU 23 - HD3 LYS 68 OK 23 60 - 39 - ~1598=2, 3.1/3088=2...(23) HB2 LEU 23 - HD2 LYS 68 OK 23 60 - 39 - ~1598=2, 3.1/3078=2...(23) HB2 PRO 19 - HD2 LYS 68 OK 23 99 - 23 - 3072/3.0=2, 3042/3.5=2...(9) HB2 PRO 19 - HD3 LYS 68 OK 23 99 - 23 - 3072/3.0=2, 3042/3.5=2...(9) HB2 GLU 77 - HD3 LYS 68 OK 12 63 - 18 - 3.0/3091=1, ~3071=1...(6) HB2 GLU 77 - HD2 LYS 68 OK 12 63 - 18 - 3.0/3091=1, ~3071=1...(6) HG2 PRO 19 - HD3 LYS 68 OK 11 65 - 17 - 4379/3.0=1, ~4377=1...(4) HG2 PRO 19 - HD2 LYS 68 OK 11 65 - 17 - 4379/3.0=1, ~4377=1...(4) HB2 LYS 78 - HD3 LYS 68 lone 10 99 - 10 - HB2 LYS 78 - HD2 LYS 68 lone 10 99 - 10 - HB2 GLN 58 - HD3 LYS 68 poor 9 68 - 14 - 4.6/5313=2, ~5287=1...(8) HB2 GLN 58 - HD2 LYS 68 poor 9 68 - 14 - 4.6/5313=2, ~5287=1...(8) HB2 GLU 51 - HD2 LYS 68 lone 7 85 - 8 - HB2 GLU 51 - HD3 LYS 68 lone 7 85 - 8 - HB3 PRO 81 - HD2 LYS 68 lone 6 89 - 7 - 3.9/5923=1 HB3 PRO 81 - HD3 LYS 68 lone 6 89 - 7 - 3.9/5923=1 Peak 3093 from cnoeabs.peaks (7.98, 2.23, 40.80 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 68 + HE2 LYS 68 OK 98 100 - 98 - 7.3=60, 3.0/3094=40...(18) H ASP 43 + HE2 LYS 68 OK 70 99 - 71 - 3053/3.7=17, 3063/3.7=17...(11) Peak 3094 from cnoeabs.peaks (3.54, 2.23, 40.80 ppm; 5.72 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 68 + HE2 LYS 68 OK 100 100 - 100 - 6.0=85, 3064/3.7=44...(30) Peak 3095 from cnoeabs.peaks (1.60, 2.23, 40.80 ppm; 4.40 A): 2 out of 12 assignments used, quality = 0.97: * HB2 LYS 68 + HE2 LYS 68 OK 95 100 - 95 - 4.9=71, 3.0/3094=21...(22) HB2 LEU 12 + HE2 LYS 68 OK 39 100 - 40 - 1169/3.7=6, 1.8/3097=5...(15) HG LEU 23 - HE2 LYS 68 OK 37 99 - 38 - 2.1/3098=5, 3055/3.7=4...(16) HG LEU 73 - HE2 LYS 68 OK 29 90 - 32 - 2.1/6104=5, 2.1/6105=5...(15) HD3 LYS 65 - HE2 LYS 68 OK 25 78 - 33 - 4.6/5559=8, 3055/3.7=3...(11) HD2 LYS 65 - HE2 LYS 68 OK 22 71 - 32 - 4.6/5559=8, 3055/3.7=3...(13) HD2 LYS 14 - HE2 LYS 68 OK 12 85 - 14 - 3055/3.7=1, 3065/3.7=1 HD3 LYS 14 - HE2 LYS 68 OK 12 83 - 14 - 3055/3.7=1, 3065/3.7=1 HG LEU 85 - HE2 LYS 68 lone 9 100 - 9 - HB2 LEU 87 - HE2 LYS 68 lone 9 100 - 9 - 3055/3.7=1 HB3 LEU 85 - HE2 LYS 68 lone 9 96 - 9 - HG LEU 87 - HE2 LYS 68 lone 9 99 - 9 - Peak 3096 from cnoeabs.peaks (1.29, 2.23, 40.80 ppm; 3.95 A): 3 out of 9 assignments used, quality = 0.95: * HB3 LYS 68 + HE2 LYS 68 OK 87 100 - 87 - 4.9=51, 3.0/3094=16...(22) HB2 LYS 26 + HE2 LYS 68 OK 47 90 - 52 - 3106/1.8=7, 2.9/5565=6...(22) HG3 LYS 56 + HE2 LYS 68 OK 30 95 - 32 - 3106/1.8=4, 3056/3.7=3...(14) HD3 LYS 44 - HE2 LYS 68 OK 23 100 - 23 - 3056/3.7=4, 3106/1.8=3...(9) HG3 LYS 17 - HE2 LYS 68 OK 21 78 - 27 - 3106/1.8=3, 3.9/5564=3...(12) HG3 LYS 65 - HE2 LYS 68 OK 15 60 - 25 - 3.7/5559=7, 2.8/3095=2...(10) HG3 LYS 31 - HE2 LYS 68 OK 11 99 - 11 - 3106/1.8=2, 3066/3.7=1 QB ALA 60 - HE2 LYS 68 lone 9 89 - 10 - 3056/3.7=2, 3066/3.7=2 HG3 ARG 45 - HE2 LYS 68 lone 2 71 - 3 - Peak 3097 from cnoeabs.peaks (1.37, 2.23, 40.80 ppm; 4.06 A): 1 out of 12 assignments used, quality = 1.00: * HG2 LYS 68 + HE2 LYS 68 OK 100 100 - 100 - 3.7=100 HB3 LEU 12 - HE2 LYS 68 OK 33 99 - 34 - 1.8/3095=4, 3107/1.8=4...(15) QB ALA 69 - HE2 LYS 68 OK 33 89 - 38 - 4.4/3094=14, 3067/3.7=4...(14) HB3 LYS 56 - HE2 LYS 68 OK 30 97 - 31 - 3107/1.8=4, 2.9/3096=4...(13) QB ALA 67 - HE2 LYS 68 OK 26 100 - 26 - 3.7/3093=8, 3067/3.7=4...(8) HG2 LYS 44 - HE2 LYS 68 OK 21 100 - 21 - 3.0/3096=3, 3107/1.8=2...(9) HB2 LYS 64 - HE2 LYS 68 OK 20 99 - 20 - ~5422=2, 3107/1.8=2...(10) HD3 LYS 56 - HE2 LYS 68 OK 20 71 - 28 - 3.0/3096=4, 3107/1.8=2...(13) HG2 LYS 91 - HE2 LYS 68 lone 4 89 - 4 - HG3 LYS 91 - HE2 LYS 68 lone 4 89 - 4 - QB ALA 89 - HE2 LYS 68 lone 3 96 - 3 - QB ALA 86 - HE2 LYS 68 lone 1 65 - 2 - Peak 3098 from cnoeabs.peaks (0.80, 2.23, 40.80 ppm; 3.87 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 68 + HE2 LYS 68 OK 100 100 - 100 - 3.7=100 QD2 LEU 79 - HE2 LYS 68 OK 36 87 - 41 - 2.1/5565=7, 3058/3.7=4...(17) QG2 ILE 35 - HE2 LYS 68 OK 33 81 - 42 - 2129/3.0=5, 2129/3.0=5...(19) QD1 LEU 23 - HE2 LYS 68 OK 31 92 - 33 - 3108/1.8=4, 3058/3.7=4...(12) QG1 VAL 47 - HE2 LYS 68 OK 18 85 - 21 - 3058/3.7=3, 6037/3.0=3...(8) QD1 LEU 73 - HE2 LYS 68 OK 18 65 - 27 - 2.1/6105=4, 6104=3...(12) Peak 3099 from cnoeabs.peaks (1.23, 2.23, 40.80 ppm; 3.17 A): 2 out of 9 assignments used, quality = 1.00: * HD2 LYS 68 + HE2 LYS 68 OK 100 100 - 100 - 3.0=100 HD3 LYS 68 + HE2 LYS 68 OK 100 100 - 100 - 3.0=100 HG3 LYS 26 - HE2 LYS 68 OK 29 83 - 35 - 1.8/5565=5, 2.9/3096=4...(18) HG13 ILE 35 - HE2 LYS 68 OK 23 100 - 24 - 3.2/6080=3, 3110/1.8=3...(12) QD1 LEU 34 - HE2 LYS 68 OK 23 98 - 23 - 4.7/152=3, 3109/1.8=2...(10) HG2 LYS 17 - HE2 LYS 68 OK 17 95 - 18 - 1.8/3096=2, 3.9/5564=2...(7) HB2 LEU 79 - HE2 LYS 68 OK 16 68 - 23 - 3.1/5565=4, 3.1/3098=3...(8) HG2 LYS 14 - HE2 LYS 68 lone 5 73 - 6 - QG2 THR 83 - HE2 LYS 68 lone 5 95 - 5 - Peak 3100 from cnoeabs.peaks (1.23, 2.23, 40.80 ppm; 3.17 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 68 + HE2 LYS 68 OK 100 100 - 100 - 3.0=100 HD2 LYS 68 + HE2 LYS 68 OK 100 100 - 100 - 3.0=100 HG3 LYS 26 - HE2 LYS 68 OK 28 81 - 35 - 1.8/5565=5, 2.9/3096=4...(18) HG13 ILE 35 - HE2 LYS 68 OK 23 100 - 24 - 3.2/6080=3, 3110/1.8=3...(12) QD1 LEU 34 - HE2 LYS 68 OK 22 97 - 23 - 4.7/152=3, 3109/1.8=2...(10) HG2 LYS 17 - HE2 LYS 68 OK 17 96 - 18 - 1.8/3096=2, 3.9/5564=2...(7) HB2 LEU 79 - HE2 LYS 68 OK 16 71 - 23 - 3.1/5565=4, 3.1/3098=3...(8) QG2 THR 83 - HE2 LYS 68 lone 5 93 - 5 - HG2 LYS 14 - HE2 LYS 68 lone 5 71 - 6 - Peak 3101 from cnoeabs.peaks (2.23, 2.23, 40.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 68 + HE2 LYS 68 OK 100 100 - 100 Peak 3102 from cnoeabs.peaks (1.99, 2.23, 40.80 ppm; 2.56 A): 1 out of 14 assignments used, quality = 1.00: * HE3 LYS 68 + HE2 LYS 68 OK 100 100 - 100 - 1.8=100 HB2 GLU 25 - HE2 LYS 68 OK 16 99 - 16 - 1648=3, 3.0/1642=2...(5) HB2 LEU 34 - HE2 LYS 68 OK 15 99 - 15 - 4.0/152=2, 2081/3.0=2...(5) HG2 PRO 84 - HE2 LYS 68 OK 12 98 - 13 - HB2 LEU 23 - HE2 LYS 68 poor 7 60 - 12 - 3.1/3098=1, 3111=1, 3.0/3095=1 HB3 PRO 19 - HE2 LYS 68 lone 6 100 - 6 - HB2 PRO 19 - HE2 LYS 68 lone 6 99 - 6 - HB2 GLU 77 - HE2 LYS 68 lone 5 63 - 8 - HG2 GLU 49 - HE2 LYS 68 lone 4 60 - 7 - HB2 LYS 78 - HE2 LYS 68 lone 3 99 - 3 - HG2 PRO 19 - HE2 LYS 68 lone 3 65 - 5 - HB2 GLU 51 - HE2 LYS 68 lone 2 85 - 2 - HB3 PRO 81 - HE2 LYS 68 lone 2 89 - 2 - HB2 GLN 58 - HE2 LYS 68 lone 2 68 - 2 - Peak 3103 from cnoeabs.peaks (7.98, 1.99, 40.80 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.99: * H LYS 68 + HE3 LYS 68 OK 98 100 - 98 - 7.3=60, ~3094=32...(18) H ASP 43 + HE3 LYS 68 OK 71 99 - 71 - 3093/1.8=18, 3053/3.7=17...(10) H LYS 68 - HB2 LEU 23 OK 14 38 - 38 - 3.0/3104=7, 834/3.1=6...(12) H ASP 43 - HB2 LEU 23 lone 3 36 - 7 - Peak 3104 from cnoeabs.peaks (3.54, 1.99, 40.80 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 68 + HE3 LYS 68 OK 100 100 - 100 - 6.0=100 HA LYS 68 - HB2 LEU 23 OK 22 38 - 59 - 3028/3.1=7, ~3038=5...(23) Peak 3105 from cnoeabs.peaks (1.60, 1.99, 40.80 ppm; 3.92 A): 3 out of 24 assignments used, quality = 0.94: * HB2 LYS 68 + HE3 LYS 68 OK 87 100 - 87 - 4.9=50, 1.8/3106=13...(20) HG LEU 23 + HB2 LEU 23 OK 35 35 - 100 - 3.0=100 HB2 LEU 12 + HE3 LYS 68 OK 32 100 - 32 - 1169/3.7=5, 3095/1.8=4...(13) HG LEU 23 - HE3 LYS 68 OK 30 99 - 31 - 3095/1.8=4, 2.1/3108=4...(13) HG LEU 73 - HE3 LYS 68 OK 25 90 - 28 - ~6104=3, ~6105=3...(13) HD3 LYS 65 - HE3 LYS 68 OK 20 78 - 26 - 4.6/5560=6, 3095/1.8=3...(11) HG LEU 73 - HB2 LEU 23 OK 18 30 - 62 - 1617/3.1=6, 1596/1.8=5...(34) HD2 LYS 65 - HE3 LYS 68 OK 18 71 - 25 - 4.6/5560=6, 3095/1.8=2...(10) HB2 LYS 68 - HB2 LEU 23 OK 17 38 - 45 - 3038/3.1=5, 1596/1.8=4...(21) HB2 LEU 87 - HB2 LEU 23 OK 13 37 - 34 - 1596/1.8=3, 1610/3.1=3...(12) HG LEU 85 - HB2 LEU 23 OK 12 37 - 33 - 1596/1.8=3, 1617/3.1=3...(10) HG LEU 87 - HB2 LEU 23 OK 12 36 - 33 - 1596/1.8=3, 1617/3.1=3...(12) HB3 LEU 85 - HB2 LEU 23 OK 11 33 - 33 - 1596/1.8=3, 1610/3.1=2...(12) HD2 LYS 14 - HE3 LYS 68 OK 10 85 - 12 - 3095/1.8=1, 3055/3.7=1 HD3 LYS 14 - HE3 LYS 68 poor 10 83 - 12 - 3095/1.8=1, 3055/3.7=1 HG LEU 85 - HE3 LYS 68 lone 8 100 - 8 - HG LEU 87 - HE3 LYS 68 lone 8 99 - 8 - HB2 LEU 87 - HE3 LYS 68 lone 8 100 - 7 - HB3 LEU 85 - HE3 LYS 68 lone 8 96 - 8 - HB2 LEU 12 - HB2 LEU 23 poor 5 37 - 14 - 81/4.6=2, 1596/1.8=1, 1617/3.1=1 HD3 LYS 65 - HB2 LEU 23 poor 4 24 - 16 - ~4477=2, ~2922=1...(7) HD2 LYS 65 - HB2 LEU 23 poor 3 21 - 16 - ~4477=2, ~2922=1...(7) HD2 LYS 14 - HB2 LEU 23 lone 1 27 - 4 - HD3 LYS 14 - HB2 LEU 23 lone 1 26 - 4 - Peak 3106 from cnoeabs.peaks (1.29, 1.99, 40.80 ppm; 3.63 A): 4 out of 18 assignments used, quality = 0.92: * HB3 LYS 68 + HE3 LYS 68 OK 78 100 - 78 - 4.9=40, 3096/1.8=11...(17) HB2 LYS 26 + HE3 LYS 68 OK 40 90 - 45 - 3096/1.8=6, 2.9/5566=5...(19) HG3 LYS 56 + HE3 LYS 68 OK 26 95 - 28 - 3096/1.8=4, 3056/3.7=3...(13) HD3 LYS 44 + HE3 LYS 68 OK 20 100 - 20 - 3056/3.7=3, 3096/1.8=3...(9) HG3 LYS 17 - HE3 LYS 68 OK 18 78 - 23 - 3096/1.8=3, 3.9/5561=2...(11) HB3 LYS 68 - HB2 LEU 23 OK 15 38 - 39 - 3048/3.1=4, 3045/3.0=4...(19) HG3 LYS 65 - HE3 LYS 68 OK 12 60 - 20 - 3.7/5560=6, 3096/1.8=2...(8) HG3 LYS 31 - HE3 LYS 68 OK 12 99 - 12 - 3901/5571=4, 3096/1.8=1 HB2 LYS 26 - HB2 LEU 23 poor 9 30 - 30 - 4521/3.0=6, ~4522=4...(10) QB ALA 60 - HE3 LYS 68 lone 7 89 - 8 - 3056/3.7=1, 3066/3.7=1 HG3 LYS 17 - HB2 LEU 23 poor 4 24 - 17 - 1373/1.8=2, ~1364=1, ~1609=1 HG3 LYS 56 - HB2 LEU 23 poor 4 32 - 12 - 2.9/5212=1, 2.9/5214=1 HG3 LYS 65 - HB2 LEU 23 poor 2 17 - 14 - ~4477=2, ~2942=2, ~2922=1 HG3 ARG 45 - HE3 LYS 68 lone 2 71 - 3 - HG3 LYS 31 - HB2 LEU 23 lone 1 36 - 3 - HD3 LYS 44 - HB2 LEU 23 lone 1 37 - 2 - QB ALA 60 - HB2 LEU 23 lone 0 29 - 2 - HG3 ARG 45 - HB2 LEU 23 lone 0 21 - 2 - Peak 3107 from cnoeabs.peaks (1.37, 1.99, 40.80 ppm; 3.88 A): 1 out of 24 assignments used, quality = 1.00: * HG2 LYS 68 + HE3 LYS 68 OK 100 100 - 100 - 3.7=100 HB3 LYS 56 - HE3 LYS 68 OK 31 97 - 31 - 3097/1.8=4, 2.9/3106=3...(13) HB3 LEU 12 - HE3 LYS 68 OK 29 99 - 30 - 3097/1.8=4, 1175/4.9=3...(13) QB ALA 67 - HE3 LYS 68 OK 24 100 - 24 - 3.7/3103=6, 3067/3.7=3...(8) QB ALA 69 - HE3 LYS 68 OK 24 89 - 27 - 3097/1.8=4, 3067/3.7=4...(11) HD3 LYS 56 - HE3 LYS 68 OK 19 71 - 27 - 3.0/3106=3, 3097/1.8=2...(14) HG2 LYS 44 - HE3 LYS 68 OK 19 100 - 19 - 3097/1.8=2, 3.0/3106=2...(8) HB2 LYS 64 - HE3 LYS 68 OK 18 99 - 18 - 3097/1.8=2, ~5422=2...(9) HG2 LYS 68 - HB2 LEU 23 OK 16 38 - 41 - 3058/3.1=4, 3055/3.0=4...(22) HB3 LYS 56 - HB2 LEU 23 poor 6 34 - 16 - 5214=2, 2634/1.8=2...(6) HB3 LEU 12 - HB2 LEU 23 poor 4 35 - 11 - 1175/3.0=1 HG2 LYS 91 - HE3 LYS 68 lone 3 89 - 4 - HG3 LYS 91 - HE3 LYS 68 lone 3 89 - 4 - QB ALA 89 - HE3 LYS 68 lone 3 96 - 3 - HD3 LYS 56 - HB2 LEU 23 poor 3 21 - 13 - 3.4/5212=1, 3.4/5214=1 QB ALA 69 - HB2 LEU 23 lone 2 29 - 6 - 4.4/3104=2, ~323=1 HG3 LYS 91 - HB2 LEU 23 lone 1 29 - 5 - HG2 LYS 91 - HB2 LEU 23 lone 1 29 - 5 - QB ALA 86 - HE3 LYS 68 lone 1 65 - 2 - HB2 LYS 64 - HB2 LEU 23 lone 1 36 - 3 - HG2 LYS 44 - HB2 LEU 23 lone 1 37 - 3 - QB ALA 67 - HB2 LEU 23 lone 1 37 - 3 - QB ALA 89 - HB2 LEU 23 lone 1 33 - 2 - QB ALA 86 - HB2 LEU 23 lone 1 19 - 4 - Peak 3108 from cnoeabs.peaks (0.80, 1.99, 40.80 ppm; 3.68 A): 1 out of 12 assignments used, quality = 0.98: * HG3 LYS 68 + HE3 LYS 68 OK 98 100 - 98 - 3.7=95, 3064/6.0=10...(15) QD1 LEU 23 - HB2 LEU 23 OK 31 31 - 100 - 3.1=100 QD2 LEU 79 - HE3 LYS 68 OK 30 87 - 34 - 3098/1.8=5, 3058/3.7=4...(13) QG2 ILE 35 - HE3 LYS 68 OK 30 81 - 37 - 3098/1.8=5, 2129/3.0=4...(18) QD1 LEU 23 - HE3 LYS 68 OK 29 92 - 32 - 3098/1.8=4, 3058/3.7=3...(11) QG1 VAL 47 - HE3 LYS 68 OK 17 85 - 20 - 3058/3.7=3, 3098/1.8=3...(8) QD2 LEU 79 - HB2 LEU 23 OK 17 28 - 59 - 3414/1.8=7, 1612/3.1=5...(26) QD1 LEU 73 - HE3 LYS 68 OK 16 65 - 25 - ~6105=3, 3098/1.8=3...(11) HG3 LYS 68 - HB2 LEU 23 OK 14 38 - 38 - 1598/1.8=3, 3065/3.0=3...(21) QD1 LEU 73 - HB2 LEU 23 OK 11 19 - 57 - 1598/1.8=5, 3190/3.0=5...(33) QG2 ILE 35 - HB2 LEU 23 lone 1 25 - 5 - QG1 VAL 47 - HB2 LEU 23 lone 1 27 - 2 - Peak 3109 from cnoeabs.peaks (1.23, 1.99, 40.80 ppm; 3.15 A): 2 out of 18 assignments used, quality = 1.00: * HD2 LYS 68 + HE3 LYS 68 OK 100 100 - 100 - 3.0=100 HD3 LYS 68 + HE3 LYS 68 OK 100 100 - 100 - 3.0=100 HG3 LYS 26 - HE3 LYS 68 OK 28 83 - 34 - 1.8/5566=5, ~5565=3...(19) HG13 ILE 35 - HE3 LYS 68 OK 27 100 - 28 - 3100/1.8=3, ~2136=2...(15) QD1 LEU 34 - HE3 LYS 68 OK 25 98 - 26 - 2.1/2098=3, 2105=2...(12) HG2 LYS 17 - HE3 LYS 68 OK 16 95 - 17 - 3100/1.8=2, 3.9/5561=2...(7) HB2 LEU 79 - HE3 LYS 68 OK 15 68 - 22 - 3.1/5566=2, 3.1/3108=2...(8) HD2 LYS 68 - HB2 LEU 23 OK 10 38 - 28 - 3078/3.1=1, ~1598=1...(9) HD3 LYS 68 - HB2 LEU 23 OK 10 37 - 28 - 3088/3.1=1, ~1598=1...(9) HB2 LEU 79 - HB2 LEU 23 poor 9 20 - 43 - ~3393=4, 3390/3.1=4...(23) HG3 LYS 26 - HB2 LEU 23 poor 7 26 - 28 - 4523/3.0=3, ~4521=3...(12) QG2 THR 83 - HE3 LYS 68 lone 5 95 - 5 - HG2 LYS 14 - HE3 LYS 68 lone 5 73 - 6 - HG2 LYS 17 - HB2 LEU 23 poor 4 32 - 13 - 1364/1.8=2, ~1609=1, ~1373=1 QD1 LEU 34 - HB2 LEU 23 lone 2 35 - 4 - HG13 ILE 35 - HB2 LEU 23 lone 1 37 - 4 - HG2 LYS 14 - HB2 LEU 23 lone 0 22 - 2 - QG2 THR 83 - HB2 LEU 23 lone 0 32 - 1 - Peak 3110 from cnoeabs.peaks (1.23, 1.99, 40.80 ppm; 3.15 A): 2 out of 18 assignments used, quality = 1.00: * HD3 LYS 68 + HE3 LYS 68 OK 100 100 - 100 - 3.0=100 HD2 LYS 68 + HE3 LYS 68 OK 100 100 - 100 - 3.0=100 HG13 ILE 35 - HE3 LYS 68 OK 27 100 - 27 - 3100/1.8=3, ~2136=2...(15) HG3 LYS 26 - HE3 LYS 68 OK 27 81 - 34 - 1.8/5566=5, ~5565=3...(19) QD1 LEU 34 - HE3 LYS 68 OK 25 97 - 26 - 2.1/2098=3, 3099/1.8=2...(12) HG2 LYS 17 - HE3 LYS 68 OK 16 96 - 17 - 3100/1.8=2, 3.9/5561=2...(7) HB2 LEU 79 - HE3 LYS 68 OK 16 71 - 22 - 3.1/5566=2, 3.1/3108=2...(8) HD3 LYS 68 - HB2 LEU 23 OK 10 38 - 28 - 3088/3.1=1, ~1598=1...(9) HD2 LYS 68 - HB2 LEU 23 OK 10 37 - 28 - 3078/3.1=1, ~1598=1...(9) HB2 LEU 79 - HB2 LEU 23 poor 9 21 - 43 - ~3393=4, 3390/3.1=4...(23) HG3 LYS 26 - HB2 LEU 23 poor 7 25 - 28 - 4523/3.0=3, ~4521=3...(12) QG2 THR 83 - HE3 LYS 68 lone 5 93 - 5 - HG2 LYS 14 - HE3 LYS 68 lone 4 71 - 6 - HG2 LYS 17 - HB2 LEU 23 poor 4 33 - 13 - 1364/1.8=2, ~1609=1, ~1373=1 QD1 LEU 34 - HB2 LEU 23 lone 2 34 - 4 - HG13 ILE 35 - HB2 LEU 23 lone 1 37 - 4 - HG2 LYS 14 - HB2 LEU 23 lone 0 21 - 2 - QG2 THR 83 - HB2 LEU 23 lone 0 32 - 1 - Peak 3111 from cnoeabs.peaks (2.23, 1.99, 40.80 ppm; 2.53 A): 1 out of 12 assignments used, quality = 1.00: * HE2 LYS 68 + HE3 LYS 68 OK 100 100 - 100 - 1.8=100 HG2 GLU 25 - HE3 LYS 68 OK 15 98 - 15 - 1658=2, 1.8/1664=1, 3.0/1652=1 HG2 GLU 33 - HE3 LYS 68 OK 11 99 - 11 - 3071/3.7=1, ~2066=1...(7) HG2 GLU 77 - HE3 LYS 68 lone 9 99 - 9 - HB2 PRO 84 - HE3 LYS 68 poor 8 60 - 13 - HE2 LYS 68 - HB2 LEU 23 poor 4 38 - 12 - 3102=2, 3098/3.1=1, 3095/3.0=1 HG2 GLU 25 - HB2 LEU 23 lone 3 35 - 8 - HG3 MET 11 - HE3 LYS 68 lone 2 73 - 2 - HG2 GLU 77 - HB2 LEU 23 lone 2 36 - 5 - HG2 GLU 33 - HB2 LEU 23 lone 1 36 - 1 - HG3 MET 11 - HB2 LEU 23 lone 0 22 - 2 - HB2 PRO 84 - HB2 LEU 23 lone 0 17 - 2 - Peak 3112 from cnoeabs.peaks (1.99, 1.99, 40.80 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 68 + HE3 LYS 68 OK 100 100 - 100 HB2 LEU 23 - HB2 LEU 23 OK 17 17 - 100 Peak 3113 from cnoeabs.peaks (7.52, 3.87, 55.25 ppm; 3.68 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 69 + HA ALA 69 OK 100 100 - 100 - 3.0=100 H ASN 63 - HA ALA 69 OK 19 100 - 19 - 3116/2.1=7, 328/3.6=5...(5) HE22 GLN 55 - HA ALA 69 OK 13 90 - 14 - 328/3.6=5, 3116/2.1=4...(4) Peak 3114 from cnoeabs.peaks (3.87, 3.87, 55.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 69 + HA ALA 69 OK 100 100 - 100 Peak 3115 from cnoeabs.peaks (1.38, 3.87, 55.25 ppm; 3.09 A): 1 out of 10 assignments used, quality = 1.00: * QB ALA 69 + HA ALA 69 OK 100 100 - 100 - 2.1=100 QB ALA 67 - HA ALA 69 OK 31 93 - 34 - ~1054=7, 841/3.0=5...(9) HG2 LYS 68 - HA ALA 69 OK 31 89 - 35 - 322/3.0=5, ~323=4...(15) HB3 LYS 56 - HA ALA 69 OK 14 99 - 14 - 1.8/4200=3, 841/3.0=2, 330/3.6=1 HB3 LEU 12 - HA ALA 69 OK 14 98 - 14 - 841/3.0=2, 3.1/5575=2...(5) HD3 LYS 56 - HA ALA 69 OK 12 99 - 12 - 3.4/4200=2, 841/3.0=1, 330/3.6=1 HG2 LYS 44 - HA ALA 69 lone 6 92 - 6 - 322/3.0=1 HB2 LYS 64 - HA ALA 69 lone 4 76 - 6 - 322/3.0=1 QB ALA 89 - HA ALA 69 lone 2 60 - 4 - HG2 LYS 31 - HA ALA 69 lone 2 76 - 2 - Peak 3116 from cnoeabs.peaks (7.52, 1.38, 17.66 ppm; 2.94 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 69 + QB ALA 69 OK 100 100 - 100 - 2.9=100 H ASN 63 - QB ALA 69 OK 22 100 - 22 - 328/3.6=3, 3113/2.1=3...(9) HE22 GLN 55 - QB ALA 69 OK 12 90 - 13 - 328/3.6=3, 4046/4.4=3...(5) Peak 3117 from cnoeabs.peaks (3.87, 1.38, 17.66 ppm; 2.99 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 69 + QB ALA 69 OK 100 100 - 100 - 2.1=100 HA3 GLY 29 - QB ALA 69 OK 15 100 - 15 - 329/3.6=4, ~4202=3...(6) HA GLU 77 - QB ALA 69 lone 10 100 - 9 - 840/2.9=2, 329/3.6=1 HA GLU 22 - QB ALA 69 poor 9 81 - 11 - 840/2.9=1, 3.0/5574=1 Peak 3118 from cnoeabs.peaks (1.38, 1.38, 17.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 69 + QB ALA 69 OK 100 100 - 100 Peak 3119 from cnoeabs.peaks (8.33, 4.40, 61.49 ppm; 3.68 A): 3 out of 6 assignments used, quality = 1.00: * H TYR 70 + HA TYR 70 OK 100 100 - 100 - 3.0=100 H ALA 72 + HA TYR 70 OK 58 95 - 61 - 337/3.6=15, 4.6/4204=9...(17) H ARG 28 + HA TYR 70 OK 57 90 - 63 - 622=12, 4.7/4204=7...(24) H ALA 60 - HA TYR 70 OK 31 71 - 44 - 5355/3.0=15, 5354/3.0=13...(8) H GLU 37 - HA TYR 70 lone 5 89 - 5 - 4681/3.7=1 H LEU 85 - HA TYR 70 lone 4 65 - 5 - Peak 3120 from cnoeabs.peaks (4.40, 4.40, 61.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 70 + HA TYR 70 OK 100 100 - 100 Peak 3121 from cnoeabs.peaks (2.98, 4.40, 61.49 ppm; 3.82 A): 1 out of 8 assignments used, quality = 1.00: * HB2 TYR 70 + HA TYR 70 OK 100 100 - 100 - 3.0=100 HB3 HIS 15 - HA TYR 70 OK 40 83 - 49 - 1.8/3122=13, 1315/3.0=9...(11) HE3 LYS 31 - HA TYR 70 OK 14 92 - 15 - 844/3.0=2, 3133/3.0=2...(7) HE2 LYS 31 - HA TYR 70 OK 14 90 - 15 - 844/3.0=2, 3133/3.0=2...(7) HE2 LYS 91 - HA TYR 70 OK 10 85 - 12 - 4578/3.7=2, 3133/3.0=2...(4) HE3 LYS 91 - HA TYR 70 OK 10 85 - 12 - 4578/3.7=2, 3133/3.0=2...(4) HD2 ARG 45 - HA TYR 70 lone 2 57 - 3 - HD3 ARG 45 - HA TYR 70 lone 2 57 - 3 - Peak 3122 from cnoeabs.peaks (3.32, 4.40, 61.49 ppm; 3.58 A): 2 out of 2 assignments used, quality = 1.00: * HB3 TYR 70 + HA TYR 70 OK 100 100 - 100 - 3.0=100 HB2 HIS 15 + HA TYR 70 OK 49 99 - 49 - 3128/3.0=10, 845/3.0=9...(12) Peak 3123 from cnoeabs.peaks (6.80, 4.40, 61.49 ppm; 5.41 A): 2 out of 3 assignments used, quality = 0.98: * QE TYR 70 + HA TYR 70 OK 96 100 - 96 - 5.7=87, 2.2/3124=33...(11) HE21 GLN 55 + HA TYR 70 OK 49 100 - 49 - 846/3.0=9, 3135/3.0=8...(15) QD TYR 32 - HA TYR 70 OK 39 89 - 43 - 846/3.0=9, ~4599=7...(9) Peak 3124 from cnoeabs.peaks (7.33, 4.40, 61.49 ppm; 3.37 A): 3 out of 3 assignments used, quality = 0.92: * QD TYR 70 + HA TYR 70 OK 87 100 - 87 - 3.7=73, 847/3.0=17...(15) QE PHE 46 + HA TYR 70 OK 23 95 - 25 - 3136/3.0=5, 3130/3.0=5...(7) HZ PHE 46 + HA TYR 70 OK 21 97 - 22 - 3136/3.0=4, 3130/3.0=4...(7) Peak 3125 from cnoeabs.peaks (8.33, 2.98, 37.49 ppm; 3.39 A): 3 out of 6 assignments used, quality = 0.96: * H TYR 70 + HB2 TYR 70 OK 87 100 - 87 - 4.0=62, 845/1.8=27...(13) H ALA 60 + HB2 TYR 70 OK 43 71 - 61 - 5355=20, 5354/1.8=15...(11) H ALA 72 + HB2 TYR 70 OK 42 95 - 44 - 337/4.4=10, 3131/1.8=7...(11) H ARG 28 - HB2 TYR 70 OK 38 90 - 42 - 3.0/3126=7, 622/3.0=7...(14) H GLU 37 - HB2 TYR 70 lone 5 89 - 6 - 4681/2.5=1 H LEU 85 - HB2 TYR 70 lone 3 65 - 4 - 4682/4.4=1 Peak 3126 from cnoeabs.peaks (4.40, 2.98, 37.49 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: * HA TYR 70 + HB2 TYR 70 OK 100 100 - 100 - 3.0=100 HA ARG 28 + HB2 TYR 70 OK 56 98 - 57 - 3132/1.8=11, 4577/2.5=10...(21) HA GLN 55 - HB2 TYR 70 OK 18 83 - 21 - 3132/1.8=4, 4577/2.5=3...(9) HA PRO 81 - HB2 TYR 70 OK 13 90 - 14 - 5915/4.4=4, 3132/1.8=3...(5) Peak 3127 from cnoeabs.peaks (2.98, 2.98, 37.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 70 + HB2 TYR 70 OK 100 100 - 100 Peak 3128 from cnoeabs.peaks (3.32, 2.98, 37.49 ppm; 2.87 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 70 + HB2 TYR 70 OK 100 100 - 100 - 1.8=100 HB2 HIS 15 - HB2 TYR 70 OK 45 99 - 45 - 1311=9, 4579/2.5=7...(17) Peak 3129 from cnoeabs.peaks (6.80, 2.98, 37.49 ppm; 5.42 A): 1 out of 3 assignments used, quality = 1.00: * QE TYR 70 + HB2 TYR 70 OK 100 100 - 100 - 4.4=100 HE21 GLN 55 - HB2 TYR 70 OK 41 100 - 41 - 3135/1.8=10, 3123/3.0=9...(9) QD TYR 32 - HB2 TYR 70 OK 31 89 - 35 - 846/4.0=8, 3135/1.8=8...(7) Peak 3130 from cnoeabs.peaks (7.33, 2.98, 37.49 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 70 + HB2 TYR 70 OK 100 100 - 100 - 2.5=100 QE PHE 46 - HB2 TYR 70 OK 32 95 - 34 - 3136/1.8=8, 3124/3.0=6...(12) HZ PHE 46 - HB2 TYR 70 OK 27 97 - 27 - 3136/1.8=6, 3124/3.0=5...(8) Peak 3131 from cnoeabs.peaks (8.33, 3.32, 37.49 ppm; 3.33 A): 3 out of 6 assignments used, quality = 0.95: * H TYR 70 + HB3 TYR 70 OK 84 100 - 84 - 4.0=59, 844/1.8=24...(11) H ALA 60 + HB3 TYR 70 OK 44 71 - 62 - 5354=17, 5355/1.8=16...(11) H ALA 72 + HB3 TYR 70 OK 41 95 - 44 - 337/4.4=9, 3125/1.8=7...(11) H ARG 28 - HB3 TYR 70 OK 35 90 - 39 - 622/3.0=7, 3.0/3132=7...(12) H GLU 37 - HB3 TYR 70 lone 5 89 - 6 - 4681/2.5=1 H LEU 85 - HB3 TYR 70 lone 3 65 - 4 - 4682/4.4=1 Peak 3132 from cnoeabs.peaks (4.40, 3.32, 37.49 ppm; 3.51 A): 2 out of 4 assignments used, quality = 1.00: * HA TYR 70 + HB3 TYR 70 OK 100 100 - 100 - 3.0=100 HA ARG 28 + HB3 TYR 70 OK 49 98 - 50 - 3126/1.8=10, 4577/2.5=9...(19) HA GLN 55 - HB3 TYR 70 OK 16 83 - 19 - 4577/2.5=3, 3126/1.8=3...(6) HA PRO 81 - HB3 TYR 70 OK 11 90 - 13 - 5915/4.4=3, 3126/1.8=2...(4) Peak 3133 from cnoeabs.peaks (2.98, 3.32, 37.49 ppm; 2.83 A): 1 out of 8 assignments used, quality = 1.00: * HB2 TYR 70 + HB3 TYR 70 OK 100 100 - 100 - 1.8=100 HB3 HIS 15 - HB3 TYR 70 OK 36 83 - 44 - 1315=11, ~3128=5...(16) HE3 LYS 31 - HB3 TYR 70 lone 8 92 - 8 - 4578/2.5=1, 3121/3.0=1 HE2 LYS 91 - HB3 TYR 70 lone 8 85 - 9 - 4578/2.5=1 HE3 LYS 91 - HB3 TYR 70 lone 8 85 - 9 - 4578/2.5=1 HE2 LYS 31 - HB3 TYR 70 lone 8 90 - 8 - 4578/2.5=1, 3121/3.0=1 HD2 ARG 45 - HB3 TYR 70 lone 1 57 - 2 - HD3 ARG 45 - HB3 TYR 70 lone 1 57 - 2 - Peak 3134 from cnoeabs.peaks (3.32, 3.32, 37.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 70 + HB3 TYR 70 OK 100 100 - 100 Peak 3135 from cnoeabs.peaks (6.80, 3.32, 37.49 ppm; 5.44 A): 1 out of 3 assignments used, quality = 1.00: * QE TYR 70 + HB3 TYR 70 OK 100 100 - 100 - 4.4=100 HE21 GLN 55 - HB3 TYR 70 OK 43 100 - 43 - 3129/1.8=10, 3123/3.0=9...(10) QD TYR 32 - HB3 TYR 70 OK 34 89 - 38 - 846/4.0=8, 3147/2.5=8...(8) Peak 3136 from cnoeabs.peaks (7.33, 3.32, 37.49 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 70 + HB3 TYR 70 OK 100 100 - 100 - 2.5=100 QE PHE 46 - HB3 TYR 70 OK 30 95 - 32 - 3130/1.8=7, 3124/3.0=5...(12) HZ PHE 46 - HB3 TYR 70 OK 25 97 - 26 - 3130/1.8=6, 3124/3.0=5...(8) Peak 3137 from cnoeabs.peaks (8.33, 6.80, 117.91 ppm; 5.10 A): 3 out of 6 assignments used, quality = 0.98: * H TYR 70 + QE TYR 70 OK 94 100 - 94 - 6.5=47, 847/2.2=33...(16) H ALA 72 + QE TYR 70 OK 55 94 - 58 - 5687=13, 3.7/5637=9...(14) H ARG 28 + QE TYR 70 OK 48 90 - 53 - 3.0/3138=9, ~4577=9...(14) H ALA 60 - QE TYR 70 OK 44 71 - 62 - 5339/2.2=21, 5355/4.4=19...(8) H LEU 85 - QE TYR 70 OK 16 65 - 24 - 3.6/4683=9, 4.3/4249=5...(5) H GLU 37 - QE TYR 70 OK 15 88 - 17 - 4.9/4907=3, 4681/2.2=2...(4) Peak 3138 from cnoeabs.peaks (4.40, 6.80, 117.91 ppm; 5.19 A): 2 out of 4 assignments used, quality = 0.97: * HA TYR 70 + QE TYR 70 OK 93 100 - 93 - 5.7=77, 3124/2.2=33...(10) HA ARG 28 + QE TYR 70 OK 53 98 - 54 - 4577/2.2=14, 3126/4.4=11...(11) HA GLN 55 - QE TYR 70 OK 32 83 - 38 - 3.8/2607=7, 3.0/2583=7...(10) HA PRO 81 - QE TYR 70 OK 16 90 - 18 - 3144/2.2=4, 2.3/4250=3...(6) Peak 3139 from cnoeabs.peaks (2.98, 6.80, 117.91 ppm; 4.78 A): 1 out of 8 assignments used, quality = 1.00: * HB2 TYR 70 + QE TYR 70 OK 100 100 - 100 - 4.4=100 HB3 HIS 15 - QE TYR 70 OK 40 83 - 48 - ~4579=12, 1.8/3140=11...(8) HE3 LYS 91 - QE TYR 70 OK 17 85 - 20 - 4578/2.2=3, ~4578=3...(9) HE2 LYS 91 - QE TYR 70 OK 17 85 - 20 - 4578/2.2=3, ~4578=3...(9) HE3 LYS 31 - QE TYR 70 OK 16 92 - 17 - 4578/2.2=3, ~4578=2...(9) HE2 LYS 31 - QE TYR 70 OK 16 90 - 17 - 4578/2.2=3, ~4578=2...(9) HD2 ARG 45 - QE TYR 70 lone 3 57 - 5 - HD3 ARG 45 - QE TYR 70 lone 3 57 - 5 - Peak 3140 from cnoeabs.peaks (3.32, 6.80, 117.91 ppm; 5.67 A): 2 out of 2 assignments used, quality = 1.00: * HB3 TYR 70 + QE TYR 70 OK 100 100 - 100 - 4.4=100 HB2 HIS 15 + QE TYR 70 OK 59 99 - 60 - 4579/2.2=17, 3128/4.4=14...(11) Peak 3141 from cnoeabs.peaks (6.80, 6.80, 117.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 70 + QE TYR 70 OK 100 100 - 100 Peak 3142 from cnoeabs.peaks (7.33, 6.80, 117.91 ppm; 2.53 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 70 + QE TYR 70 OK 100 100 - 100 - 2.2=100 QE PHE 46 - QE TYR 70 lone 9 94 - 10 - 3130/4.4=2, 3136/4.4=2 HZ PHE 46 - QE TYR 70 lone 6 97 - 6 - 3130/4.4=1, 3136/4.4=1 Peak 3143 from cnoeabs.peaks (8.33, 7.33, 133.00 ppm; 6.20 A): 4 out of 6 assignments used, quality = 0.99: * H TYR 70 + QD TYR 70 OK 92 92 - 100 - 4.6=100 H ALA 72 + QD TYR 70 OK 65 83 - 78 - 337/4.5=25, 1068/3.7=15...(17) H ARG 28 + QD TYR 70 OK 59 79 - 75 - 3.0/3144=14, 622/3.7=12...(18) H ALA 60 + QD TYR 70 OK 51 60 - 86 - 5355/2.5=27, 2.9/5347=24...(13) H GLU 37 - QD TYR 70 OK 22 77 - 28 - 4.9/4775=8, 4.9/4774=4...(10) H LEU 85 - QD TYR 70 poor 8 55 - 15 - 4682/2.2=4, 4.7/4698=2...(4) Peak 3144 from cnoeabs.peaks (4.40, 7.33, 133.00 ppm; 5.10 A): 2 out of 4 assignments used, quality = 0.97: * HA TYR 70 + QD TYR 70 OK 92 92 - 100 - 3.7=100 HA ARG 28 + QD TYR 70 OK 63 88 - 72 - 4568/4.5=15, 3126/2.5=14...(19) HA GLN 55 - QD TYR 70 OK 27 71 - 38 - 3138/2.2=6, ~2583=5...(12) HA PRO 81 - QD TYR 70 OK 18 79 - 23 - 5915/4.5=7, 3126/2.5=3...(6) Peak 3145 from cnoeabs.peaks (2.98, 7.33, 133.00 ppm; 5.47 A): 2 out of 8 assignments used, quality = 0.96: * HB2 TYR 70 + QD TYR 70 OK 92 92 - 100 - 2.5=100 HB3 HIS 15 + QD TYR 70 OK 51 71 - 71 - 1.8/3146=16, ~3128=14...(14) HE3 LYS 91 - QD TYR 70 OK 24 73 - 32 - 4684/2.2=4, 3.0/4694=3...(12) HE2 LYS 91 - QD TYR 70 OK 24 73 - 32 - 4684/2.2=4, 3.0/4694=3...(12) HE3 LYS 31 - QD TYR 70 OK 22 80 - 28 - 4684/2.2=3, 3121/3.7=3...(10) HE2 LYS 31 - QD TYR 70 OK 22 79 - 28 - 4684/2.2=3, 3121/3.7=3...(10) HD2 ARG 45 - QD TYR 70 lone 4 48 - 9 - HD3 ARG 45 - QD TYR 70 lone 4 48 - 9 - Peak 3146 from cnoeabs.peaks (3.32, 7.33, 133.00 ppm; 5.89 A): 2 out of 2 assignments used, quality = 0.98: * HB3 TYR 70 + QD TYR 70 OK 92 92 - 100 - 2.5=100 HB2 HIS 15 + QD TYR 70 OK 72 90 - 81 - 3140/2.2=15, 3128/2.5=15...(16) Peak 3147 from cnoeabs.peaks (6.80, 7.33, 133.00 ppm; 3.70 A): 2 out of 3 assignments used, quality = 0.94: * QE TYR 70 + QD TYR 70 OK 92 92 - 100 - 2.2=100 HE21 GLN 55 + QD TYR 70 OK 23 91 - 25 - 3135/2.5=4, 3129/2.5=4...(10) QD TYR 32 - QD TYR 70 OK 21 77 - 28 - ~2031=3, ~4544=3...(9) Peak 3148 from cnoeabs.peaks (7.33, 7.33, 133.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: * QD TYR 70 + QD TYR 70 OK 92 92 - 100 Peak 3149 from cnoeabs.peaks (8.13, 3.97, 55.37 ppm; 3.48 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 71 + HA ALA 71 OK 100 100 - 100 - 3.0=100 H LEU 30 - HA ALA 71 OK 26 89 - 30 - 4.6/5641=9, 3152/2.1=7...(6) H ARG 27 - HA ALA 71 OK 17 57 - 30 - 4.6/4062=4, 3152/2.1=4...(12) H ALA 89 - HA ALA 71 lone 6 83 - 7 - 3152/2.1=1, 337/3.6=1 H MET 11 - HA ALA 71 lone 3 68 - 5 - Peak 3150 from cnoeabs.peaks (3.97, 3.97, 55.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 71 + HA ALA 71 OK 100 100 - 100 Peak 3151 from cnoeabs.peaks (1.52, 3.97, 55.37 ppm; 2.84 A): 1 out of 16 assignments used, quality = 1.00: * QB ALA 71 + HA ALA 71 OK 100 100 - 100 - 2.1=100 QB ALA 72 - HA ALA 71 OK 27 65 - 42 - 2.9/338=7, 3159=6...(15) HG3 ARG 27 - HA ALA 71 OK 27 100 - 27 - 1790/3.0=3, 2.9/4212=3...(12) HB3 LYS 26 - HA ALA 71 OK 17 100 - 17 - 3868/3.0=2, 4.3/4555=2...(6) HG LEU 30 - HA ALA 71 OK 15 83 - 18 - 1897/3.0=3, ~1904=2...(8) HD2 LYS 56 - HA ALA 71 lone 9 96 - 9 - ~5652=1 HB2 LYS 56 - HA ALA 71 poor 9 85 - 11 - 2625/2.1=1 HD3 LYS 64 - HA ALA 71 lone 8 100 - 8 - ~5662=1 HD3 LYS 17 - HA ALA 71 lone 6 97 - 6 - HD2 LYS 17 - HA ALA 71 lone 6 97 - 6 - HG LEU 34 - HA ALA 71 lone 4 100 - 4 - HB2 LEU 85 - HA ALA 71 lone 4 99 - 4 - HB3 LEU 87 - HA ALA 71 lone 4 96 - 4 - HG2 GLU 37 - HA ALA 71 lone 3 87 - 4 - HB3 LYS 44 - HA ALA 71 lone 2 81 - 3 - HB2 ARG 45 - HA ALA 71 lone 2 97 - 2 - Peak 3152 from cnoeabs.peaks (8.13, 1.52, 16.95 ppm; 3.05 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 71 + QB ALA 71 OK 100 100 - 100 - 2.9=100 H LEU 30 - QB ALA 71 OK 28 89 - 32 - 636=6, 3149/2.1=4...(10) H ARG 27 - QB ALA 71 OK 15 57 - 27 - 4.6/4063=3, 3149/2.1=3...(13) H ALA 89 - QB ALA 71 lone 5 83 - 6 - 3149/2.1=1 H MET 11 - QB ALA 71 lone 3 68 - 5 - Peak 3153 from cnoeabs.peaks (3.97, 1.52, 16.95 ppm; 2.89 A): 2 out of 7 assignments used, quality = 1.00: * HA ALA 71 + QB ALA 71 OK 100 100 - 100 - 2.1=100 HA ALA 72 + QB ALA 71 OK 50 100 - 50 - 2.9/4063=10, 849/2.9=6...(17) HA GLU 25 - QB ALA 71 OK 14 99 - 14 - ~4214=2, 338/3.7=1...(7) HA LEU 76 - QB ALA 71 OK 12 68 - 18 - 4.0/5662=4, 4.0/5660=2...(7) HA PRO 19 - QB ALA 71 poor 10 81 - 12 - 4363/4.2=1, 849/2.9=1, 338/3.7=1 HA3 GLY 16 - QB ALA 71 lone 6 99 - 6 - HB3 SER 62 - QB ALA 71 lone 4 76 - 5 - 1.8/5390=1, 4.3/5634=1 Peak 3154 from cnoeabs.peaks (1.52, 1.52, 16.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 71 + QB ALA 71 OK 100 100 - 100 Peak 3155 from cnoeabs.peaks (8.35, 3.96, 54.32 ppm; 3.49 A): 1 out of 7 assignments used, quality = 1.00: * H ALA 72 + HA ALA 72 OK 100 100 - 100 - 2.9=100 H ARG 28 - HA ALA 72 OK 35 100 - 35 - 966/3.6=8, 3158/2.1=7...(12) H TYR 70 - HA ALA 72 OK 34 95 - 36 - 3158/2.1=8, 340/3.6=6...(10) H GLU 37 - HA ALA 72 lone 2 57 - 3 - H ASN 90 - HA ALA 72 lone 1 60 - 2 - H GLY 39 - HA ALA 72 lone 1 63 - 2 - H GLY 40 - HA ALA 72 lone 1 63 - 2 - Peak 3156 from cnoeabs.peaks (3.96, 3.96, 54.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 72 + HA ALA 72 OK 100 100 - 100 Peak 3157 from cnoeabs.peaks (1.49, 3.96, 54.32 ppm; 2.90 A): 1 out of 12 assignments used, quality = 1.00: * QB ALA 72 + HA ALA 72 OK 100 100 - 100 - 2.1=100 QB ALA 71 - HA ALA 72 OK 30 65 - 46 - 3153=8, 4063/2.9=6...(17) HG3 ARG 27 - HA ALA 72 OK 15 71 - 21 - 853/2.9=2, 5.0/3155=2...(10) HB3 LYS 26 - HA ALA 72 OK 12 71 - 18 - 3.6/5768=3, 4.3/4555=2...(7) HG LEU 79 - HA ALA 72 OK 11 87 - 13 - ~5674=1, 3.0/5676=1...(4) HB2 LYS 56 - HA ALA 72 lone 8 99 - 8 - HD2 LYS 17 - HA ALA 72 lone 7 90 - 8 - HD3 LYS 17 - HA ALA 72 lone 7 90 - 8 - HB2 LEU 85 - HA ALA 72 lone 6 83 - 7 - 3.1/5768=1 HG2 GLU 37 - HA ALA 72 lone 4 98 - 4 - HG LEU 34 - HA ALA 72 lone 3 78 - 4 - HB2 ARG 45 - HA ALA 72 lone 1 90 - 1 - Peak 3158 from cnoeabs.peaks (8.35, 1.49, 17.66 ppm; 2.98 A): 1 out of 7 assignments used, quality = 1.00: * H ALA 72 + QB ALA 72 OK 100 100 - 100 - 2.9=100 H TYR 70 - QB ALA 72 OK 35 95 - 37 - 3.6/4201=7, 3155/2.1=5...(14) H ARG 28 - QB ALA 72 OK 30 100 - 30 - 966/3.6=5, 3155/2.1=5...(13) H GLU 37 - QB ALA 72 lone 2 57 - 4 - H GLY 39 - QB ALA 72 lone 1 63 - 2 - H GLY 40 - QB ALA 72 lone 1 63 - 2 - H ASN 90 - QB ALA 72 lone 1 60 - 2 - Peak 3159 from cnoeabs.peaks (3.96, 1.49, 17.66 ppm; 2.97 A): 2 out of 8 assignments used, quality = 1.00: * HA ALA 72 + QB ALA 72 OK 100 100 - 100 - 2.1=100 HA ALA 71 + QB ALA 72 OK 49 100 - 49 - 3.6/853=10, 3.0/5691=6...(16) HA LEU 76 - QB ALA 72 OK 26 81 - 32 - ~4219=6, 4.0/5674=4...(12) HA PRO 19 - QB ALA 72 OK 22 68 - 32 - 3.5/5693=8, 2.3/5681=5...(11) HA GLU 25 - QB ALA 72 OK 21 97 - 22 - ~4216=3, 338/2.9=2...(10) HA LEU 23 - QB ALA 72 OK 19 57 - 33 - 3.0/6102=8, 3.0/5672=6...(10) HA3 GLY 16 - QB ALA 72 lone 8 97 - 8 - 3.6/5693=3 HB3 SER 62 - QB ALA 72 lone 2 63 - 3 - 4.3/5694=1 Peak 3160 from cnoeabs.peaks (1.49, 1.49, 17.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 72 + QB ALA 72 OK 100 100 - 100 Peak 3161 from cnoeabs.peaks (8.57, 3.91, 57.61 ppm; 3.29 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 73 + HA LEU 73 OK 100 100 - 100 - 3.0=100 H GLY 29 + HA LEU 73 OK 46 97 - 48 - 3175/3.0=9, 3168/3.0=9...(17) H LEU 73 - HA LEU 23 OK 35 80 - 43 - 855=11, 3.9/3169=4...(18) H GLY 29 - HA LEU 23 lone 5 74 - 7 - Peak 3162 from cnoeabs.peaks (3.91, 3.91, 57.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LEU 73 + HA LEU 73 OK 100 100 - 100 HA LEU 23 + HA LEU 23 OK 61 61 - 100 Peak 3163 from cnoeabs.peaks (1.75, 3.91, 57.61 ppm; 3.45 A): 3 out of 16 assignments used, quality = 1.00: * HB2 LEU 73 + HA LEU 73 OK 100 100 - 100 - 3.0=100 QB ALA 74 + HA LEU 73 OK 55 78 - 70 - 3206/3.6=21, ~1005=10...(21) HB3 ARG 28 + HA LEU 73 OK 47 95 - 50 - 856/3.0=6, 3177/3.0=5...(24) HB2 LEU 73 - HA LEU 23 OK 44 80 - 55 - 3169=10, 1.8/3176=8...(24) HB2 ARG 27 - HA LEU 73 OK 19 78 - 25 - 856/3.0=3, 3177/3.0=3...(11) HB3 GLN 55 - HA LEU 73 OK 18 100 - 17 - 3177/3.0=2, 3198/3.9=2...(10) QE MET 11 - HA LEU 73 OK 13 92 - 14 - 4243/3.9=6, 3177/3.0=2...(4) QB ALA 74 - HA LEU 23 OK 13 56 - 23 - 2.9/4066=6, 3.4/1083=4...(5) HB3 MET 48 - HA LEU 73 OK 11 100 - 11 - 3177/3.0=1, 3198/3.9=1 HB3 LYS 65 - HA LEU 23 poor 9 63 - 14 - ~4477=2, 2932/3.0=1...(6) HB3 LYS 65 - HA LEU 73 lone 7 87 - 8 - 4.4/4226=1 HB3 GLN 55 - HA LEU 23 lone 7 79 - 8 - QE MET 11 - HA LEU 23 lone 6 68 - 8 - 4245/3.0=3, 4243/3.9=2 HB2 ARG 27 - HA LEU 23 lone 6 56 - 10 - 6075/3.9=2, 4543/3.9=2 HB3 MET 48 - HA LEU 23 lone 5 80 - 6 - 4853/3.9=1 HB3 ARG 28 - HA LEU 23 lone 3 71 - 5 - Peak 3164 from cnoeabs.peaks (1.67, 3.91, 57.61 ppm; 3.48 A): 3 out of 24 assignments used, quality = 1.00: * HB3 LEU 73 + HA LEU 73 OK 100 100 - 100 - 3.0=100 HG3 ARG 28 + HA LEU 73 OK 48 98 - 49 - 857/3.0=5, 3171/3.0=5...(24) HG2 ARG 28 + HA LEU 73 OK 47 97 - 49 - 857/3.0=5, 3171/3.0=5...(24) HB3 LEU 73 - HA LEU 23 OK 45 80 - 56 - 3176=10, 1.8/3169=8...(25) HB2 LEU 30 - HA LEU 73 OK 27 83 - 33 - 3.1/6032=6, 3171/3.0=3...(15) HB2 LEU 30 - HA LEU 23 OK 17 59 - 29 - 3.1/6032=5, ~6078=3...(13) HB3 ARG 27 - HA LEU 73 OK 15 65 - 24 - 4544/3.9=2, 3171/3.0=2...(9) HB3 GLU 51 - HA LEU 73 OK 12 96 - 13 - 5089/3.0=4, 3171/3.0=1 HD3 LYS 31 - HA LEU 73 lone 8 100 - 7 - HD2 LYS 31 - HA LEU 73 lone 8 100 - 7 - HB3 LYS 91 - HA LEU 73 lone 5 90 - 5 - HB3 ARG 27 - HA LEU 23 lone 4 45 - 9 - 4544/3.9=2, 6074/3.9=2 HB3 LYS 91 - HA LEU 23 lone 4 67 - 5 - 3717/3.6=1, 4.0/3852=1 HG3 ARG 28 - HA LEU 23 lone 3 76 - 5 - HG2 ARG 28 - HA LEU 23 lone 3 74 - 4 - HB3 LYS 14 - HA LEU 73 lone 3 71 - 4 - HB2 LYS 14 - HA LEU 73 lone 3 71 - 4 - HB3 GLU 51 - HA LEU 23 lone 3 72 - 4 - HB3 LYS 31 - HA LEU 73 lone 3 60 - 5 - HD3 LYS 31 - HA LEU 23 lone 2 80 - 2 - HD2 LYS 31 - HA LEU 23 lone 2 80 - 2 - HB3 LYS 31 - HA LEU 23 lone 1 41 - 2 - HB3 LYS 14 - HA LEU 23 lone 1 49 - 2 - HB2 LYS 14 - HA LEU 23 lone 1 49 - 2 - Peak 3165 from cnoeabs.peaks (1.62, 3.91, 57.61 ppm; 3.40 A): 3 out of 24 assignments used, quality = 0.99: * HG LEU 73 + HA LEU 73 OK 94 100 - 94 - 3.7=79, 2.1/3197=19...(15) HG LEU 23 + HA LEU 23 OK 60 77 - 79 - 4.3=50, 2.1/1614=14...(12) HG LEU 23 + HA LEU 73 OK 50 99 - 51 - 2.1/1614=7, 2.1/1607=6...(16) HG LEU 73 - HA LEU 23 OK 38 80 - 47 - 2.1/3197=9, 2.1/3190=8...(15) HG LEU 87 - HA LEU 73 OK 27 98 - 27 - 3179/3.0=3, 3172/3.0=3...(11) HG LEU 85 - HA LEU 73 OK 22 93 - 24 - 3179/3.0=3, 3172/3.0=3...(11) HB2 LEU 87 - HA LEU 73 OK 20 83 - 24 - 3179/3.0=2, 3172/3.0=2...(11) HG LEU 87 - HA LEU 23 OK 17 76 - 23 - 588/3.0=2, 1617/3.9=2...(12) HB2 LYS 68 - HA LEU 23 OK 15 67 - 23 - 1617/3.9=3, 1610/3.9=2...(9) HB2 LYS 68 - HA LEU 73 OK 15 90 - 17 - 3172/3.0=2, 3179/3.0=2...(8) HG LEU 85 - HA LEU 23 OK 15 70 - 21 - 1596/3.0=2, 1617/3.9=2...(12) HB2 LEU 87 - HA LEU 23 OK 13 59 - 22 - 1596/3.0=2, 1610/3.9=2...(9) HB3 LEU 85 - HA LEU 73 OK 12 63 - 20 - 3.1/3167=2, 3179/3.0=1...(7) HB3 LEU 85 - HA LEU 23 poor 9 43 - 20 - 1596/3.0=1, 1610/3.9=1...(6) HD3 LYS 91 - HA LEU 73 lone 6 87 - 7 - HB2 LEU 12 - HA LEU 23 poor 6 59 - 10 - 81/3.6=1, 1167/4.8=1 HD2 LYS 91 - HA LEU 73 lone 6 85 - 7 - HB2 LEU 12 - HA LEU 73 lone 4 83 - 5 - HB3 LYS 14 - HA LEU 73 lone 3 63 - 4 - HB2 LYS 14 - HA LEU 73 lone 3 63 - 4 - HD3 LYS 91 - HA LEU 23 lone 2 63 - 4 - HD2 LYS 91 - HA LEU 23 lone 2 61 - 4 - HB3 LYS 14 - HA LEU 23 lone 1 43 - 1 - HB2 LYS 14 - HA LEU 23 lone 1 43 - 1 - Peak 3166 from cnoeabs.peaks (0.78, 3.91, 57.61 ppm; 2.95 A): 4 out of 12 assignments used, quality = 0.95: * QD1 LEU 73 + HA LEU 73 OK 74 100 - 74 - 3.9=42, 2.1/3197=14...(16) QD1 LEU 23 + HA LEU 23 OK 51 72 - 71 - 3.9=45, 1616/3.0=9...(13) QD1 LEU 23 + HA LEU 73 OK 43 96 - 45 - 1614=9, 2.1/1607=5...(20) QD1 LEU 73 + HA LEU 23 OK 35 80 - 44 - 3190=8, 2.1/3197=7...(17) QD1 LEU 30 - HA LEU 73 OK 29 99 - 29 - 3180/3.0=4, 6032=4...(10) QD2 LEU 79 - HA LEU 23 OK 28 76 - 37 - 3414/3.0=4, 2.1/4224=4...(19) QD1 LEU 30 - HA LEU 23 OK 19 78 - 25 - 6078/3.0=4, 6032=3...(9) HG2 LYS 26 - HA LEU 73 OK 16 63 - 25 - 2.9/4521=3, 3190=2...(13) HG2 LYS 26 - HA LEU 23 OK 12 43 - 27 - 2.9/4521=4, 4.9/6156=4...(11) QD2 LEU 79 - HA LEU 73 poor 10 98 - 10 - 3173/3.0=1, 859/3.0=1 HG3 LYS 68 - HA LEU 23 poor 7 45 - 15 - 1598/3.0=2, 1612/3.9=1...(6) HG3 LYS 68 - HA LEU 73 lone 6 65 - 10 - 3173/3.0=1, 3180/3.0=1 Peak 3167 from cnoeabs.peaks (0.84, 3.91, 57.61 ppm; 2.99 A): 5 out of 18 assignments used, quality = 0.92: * QD2 LEU 73 + HA LEU 73 OK 75 100 - 75 - 3.9=43, 2.1/3190=13...(16) QD2 LEU 73 + HA LEU 23 OK 34 80 - 42 - 3197=9, 2.1/3190=6...(16) HD2 LYS 26 + HA LEU 73 OK 25 97 - 26 - 3.6/4521=3, 3181/3.0=2...(13) QB ALA 75 + HA LEU 73 OK 22 60 - 36 - 2.9/1083=7, 3.6/4221=7...(12) HD2 LYS 26 + HA LEU 23 OK 21 75 - 27 - 3.6/4521=4, 5.8/6156=3...(12) QD2 LEU 87 - HA LEU 73 OK 18 100 - 18 - 3174/3.0=2, 3181/3.0=2...(6) QD2 LEU 85 - HA LEU 73 OK 16 100 - 16 - 3174/3.0=2, 3181/3.0=2...(6) QD2 LEU 30 - HA LEU 73 OK 13 60 - 23 - 2.1/6032=4, 3181/3.0=2...(11) QD2 LEU 87 - HA LEU 23 OK 10 79 - 13 - ~1597=1, 2.1/3183=1, ~589=1 QD2 LEU 85 - HA LEU 23 poor 9 80 - 12 - QG2 ILE 35 - HA LEU 73 lone 8 90 - 8 - 3174/3.0=2, 3181/3.0=1...(4) QB ALA 75 - HA LEU 23 poor 8 41 - 18 - 3.6/4221=5, 2.9/1083=4...(5) QD2 LEU 30 - HA LEU 23 poor 8 41 - 18 - 2.1/6032=3, ~6078=3...(8) QG2 VAL 47 - HA LEU 73 lone 5 100 - 4 - QG1 VAL 47 - HA LEU 73 lone 3 87 - 4 - QG2 ILE 35 - HA LEU 23 lone 2 67 - 3 - QG2 VAL 47 - HA LEU 23 lone 2 80 - 2 - QG1 VAL 47 - HA LEU 23 lone 1 63 - 2 - Peak 3168 from cnoeabs.peaks (8.57, 1.75, 42.30 ppm; 3.58 A): 2 out of 2 assignments used, quality = 0.98: * H LEU 73 + HB2 LEU 73 OK 94 100 - 94 - 3.9=79, 3175/1.8=22...(17) H GLY 29 + HB2 LEU 73 OK 58 97 - 60 - 3175/1.8=14, 117=8...(15) Peak 3169 from cnoeabs.peaks (3.91, 1.75, 42.30 ppm; 3.78 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 73 + HB2 LEU 73 OK 100 100 - 100 - 3.0=100 HA LEU 23 + HB2 LEU 73 OK 51 85 - 60 - 3176/1.8=10, 3197/3.1=8...(25) HA LEU 76 - HB2 LEU 73 OK 27 63 - 43 - ~4221=5, 3176/1.8=5...(21) HA GLU 22 - HB2 LEU 73 OK 17 76 - 22 - 3176/1.8=3, 3197/3.1=3...(6) Peak 3170 from cnoeabs.peaks (1.75, 1.75, 42.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 73 + HB2 LEU 73 OK 100 100 - 100 Peak 3171 from cnoeabs.peaks (1.67, 1.75, 42.30 ppm; 2.82 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LEU 73 + HB2 LEU 73 OK 100 100 - 100 - 1.8=100 HG3 ARG 28 - HB2 LEU 73 OK 37 98 - 38 - 3.8/4206=4, 4.9/3168=3...(18) HG2 ARG 28 - HB2 LEU 73 OK 36 97 - 38 - 3.8/4206=4, 4.9/3168=3...(18) HB2 LEU 30 - HB2 LEU 73 OK 26 83 - 31 - 3.1/3173=3, 1888/3.1=2...(13) HB3 ARG 27 - HB2 LEU 73 OK 15 65 - 23 - 4.2/5700=2, 4544/3.1=2...(6) HB3 GLU 51 - HB2 LEU 73 lone 9 96 - 9 - 5089/3.9=2 HD2 LYS 31 - HB2 LEU 73 lone 6 100 - 6 - HD3 LYS 31 - HB2 LEU 73 lone 6 100 - 6 - HB3 LYS 91 - HB2 LEU 73 lone 4 90 - 5 - HB2 LYS 14 - HB2 LEU 73 lone 3 71 - 4 - HB3 LYS 14 - HB2 LEU 73 lone 3 71 - 4 - HB3 LYS 31 - HB2 LEU 73 lone 2 60 - 4 - Peak 3172 from cnoeabs.peaks (1.62, 1.75, 42.30 ppm; 3.00 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 73 + HB2 LEU 73 OK 100 100 - 100 - 3.0=100 HG LEU 23 + HB2 LEU 73 OK 48 99 - 49 - 3179/1.8=6, 3184=5...(23) HG LEU 87 - HB2 LEU 73 OK 28 98 - 29 - 3179/1.8=4, 3184=3...(9) HG LEU 85 - HB2 LEU 73 OK 23 93 - 24 - 3179/1.8=3, 3184=3...(9) HB2 LEU 87 - HB2 LEU 73 OK 21 83 - 25 - 3179/1.8=3, 3.1/3174=2...(8) HB2 LYS 68 - HB2 LEU 73 OK 18 90 - 20 - 3179/1.8=2, 3.0/5540=2...(7) HB3 LEU 85 - HB2 LEU 73 OK 13 63 - 20 - 3.1/3174=2, 3179/1.8=2...(5) HD3 LYS 91 - HB2 LEU 73 lone 7 87 - 7 - HD2 LYS 91 - HB2 LEU 73 lone 6 85 - 7 - HB2 LEU 12 - HB2 LEU 73 lone 3 83 - 4 - HB3 LYS 14 - HB2 LEU 73 lone 3 63 - 4 - HB2 LYS 14 - HB2 LEU 73 lone 3 63 - 4 - Peak 3173 from cnoeabs.peaks (0.78, 1.75, 42.30 ppm; 3.63 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 73 + HB2 LEU 73 OK 100 100 - 100 - 3.1=100 QD1 LEU 23 + HB2 LEU 73 OK 63 96 - 66 - 3180/1.8=9, 1614/3.0=7...(33) QD1 LEU 30 + HB2 LEU 73 OK 54 99 - 55 - 3180/1.8=8, 6032/3.0=6...(21) HG2 LYS 26 - HB2 LEU 73 OK 26 63 - 42 - 3180/1.8=4, 3.0/3174=3...(20) HG3 LYS 68 - HB2 LEU 73 OK 18 65 - 28 - ~6107=2, 3.9/5540=2...(11) QD2 LEU 79 - HB2 LEU 73 OK 17 98 - 18 - 3180/1.8=2, 3201/3.1=2...(5) Peak 3174 from cnoeabs.peaks (0.84, 1.75, 42.30 ppm; 3.47 A): 1 out of 9 assignments used, quality = 1.00: * QD2 LEU 73 + HB2 LEU 73 OK 100 100 - 100 - 3.1=100 QD2 LEU 87 - HB2 LEU 73 OK 35 100 - 35 - 3181/1.8=4, 2.1/3172=4...(12) HD2 LYS 26 - HB2 LEU 73 OK 33 97 - 33 - 3181/1.8=4, 4524/3.0=3...(13) QD2 LEU 85 - HB2 LEU 73 OK 30 100 - 30 - 3181/1.8=4, 2.1/3172=3...(10) QD2 LEU 30 - HB2 LEU 73 OK 28 60 - 46 - 2.1/3173=6, ~3180=4...(19) QG2 ILE 35 - HB2 LEU 73 OK 22 90 - 24 - 2.1/6140=3, 3181/1.8=3...(9) QB ALA 75 - HB2 LEU 73 OK 22 60 - 36 - 5743/4.4=7, 2.9/352=4...(14) QG2 VAL 47 - HB2 LEU 73 lone 9 100 - 9 - 4.3/717=2 QG1 VAL 47 - HB2 LEU 73 lone 7 87 - 8 - 4.3/717=2 Peak 3175 from cnoeabs.peaks (8.57, 1.67, 42.30 ppm; 3.57 A): 2 out of 2 assignments used, quality = 0.98: * H LEU 73 + HB3 LEU 73 OK 94 100 - 94 - 3.9=78, 3168/1.8=22...(17) H GLY 29 + HB3 LEU 73 OK 59 97 - 61 - 3168/1.8=14, 118=9...(17) Peak 3176 from cnoeabs.peaks (3.91, 1.67, 42.30 ppm; 3.82 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 73 + HB3 LEU 73 OK 100 100 - 100 - 3.0=100 HA LEU 23 + HB3 LEU 73 OK 52 85 - 61 - 3169/1.8=10, 3197/3.1=8...(25) HA LEU 76 - HB3 LEU 73 OK 27 63 - 44 - ~4221=5, 3169/1.8=5...(21) HA GLU 22 - HB3 LEU 73 OK 17 76 - 22 - 3169/1.8=3, 3197/3.1=3...(7) Peak 3177 from cnoeabs.peaks (1.75, 1.67, 42.30 ppm; 2.84 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 73 + HB3 LEU 73 OK 100 100 - 100 - 1.8=100 QB ALA 74 - HB3 LEU 73 OK 41 78 - 52 - 2.9/4068=14, ~4067=9...(22) HB3 ARG 28 - HB3 LEU 73 OK 35 95 - 37 - 3.0/4208=6, 4.6/3175=4...(16) HB2 ARG 27 - HB3 LEU 73 OK 19 78 - 25 - 4.2/5703=2, 4543/3.1=2...(8) HB3 GLN 55 - HB3 LEU 73 OK 16 100 - 16 - 3.0/4208=2, ~2580=2...(7) QE MET 11 - HB3 LEU 73 OK 12 92 - 13 - 4243/3.1=5, 4246/5702=1 HB3 MET 48 - HB3 LEU 73 lone 9 100 - 9 - 3198/3.1=1 HB3 LYS 65 - HB3 LEU 73 lone 4 87 - 5 - Peak 3178 from cnoeabs.peaks (1.67, 1.67, 42.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 73 + HB3 LEU 73 OK 100 100 - 100 Peak 3179 from cnoeabs.peaks (1.62, 1.67, 42.30 ppm; 2.92 A): 2 out of 12 assignments used, quality = 0.98: * HG LEU 73 + HB3 LEU 73 OK 96 100 - 96 - 3.0=94, ~3198=6...(11) HG LEU 23 + HB3 LEU 73 OK 46 99 - 47 - 3185=6, 3172/1.8=6...(22) HG LEU 87 - HB3 LEU 73 OK 26 98 - 27 - 3185=3, 3172/1.8=3...(9) HG LEU 85 - HB3 LEU 73 OK 22 93 - 23 - 3172/1.8=3, 3185=3...(8) HB2 LEU 87 - HB3 LEU 73 OK 20 83 - 24 - 3172/1.8=2, 3.1/3181=2...(7) HB2 LYS 68 - HB3 LEU 73 OK 16 90 - 17 - 3172/1.8=2, 3200/3.1=2...(5) HB3 LEU 85 - HB3 LEU 73 OK 12 63 - 19 - 3.1/3181=2, 3172/1.8=2...(5) HD3 LYS 91 - HB3 LEU 73 lone 7 87 - 8 - HD2 LYS 91 - HB3 LEU 73 lone 7 85 - 8 - HB2 LEU 12 - HB3 LEU 73 lone 3 83 - 3 - HB3 LYS 14 - HB3 LEU 73 lone 2 63 - 4 - HB2 LYS 14 - HB3 LEU 73 lone 2 63 - 4 - Peak 3180 from cnoeabs.peaks (0.78, 1.67, 42.30 ppm; 3.55 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 73 + HB3 LEU 73 OK 100 100 - 100 - 3.1=100 QD1 LEU 23 + HB3 LEU 73 OK 61 96 - 64 - 3173/1.8=8, 2.1/3179=7...(30) QD1 LEU 30 + HB3 LEU 73 OK 54 99 - 54 - 3173/1.8=7, 6032/3.0=6...(18) HG2 LYS 26 - HB3 LEU 73 OK 25 63 - 40 - 3173/1.8=3, 3.0/3181=3...(16) HG3 LYS 68 - HB3 LEU 73 OK 14 65 - 22 - ~6107=2, 3173/1.8=2...(8) QD2 LEU 79 - HB3 LEU 73 OK 14 98 - 14 - 3173/1.8=2, 3201/3.1=1 Peak 3181 from cnoeabs.peaks (0.84, 1.67, 42.30 ppm; 3.53 A): 1 out of 9 assignments used, quality = 1.00: * QD2 LEU 73 + HB3 LEU 73 OK 100 100 - 100 - 3.1=100 QD2 LEU 87 - HB3 LEU 73 OK 36 100 - 36 - 3174/1.8=4, 2.1/3179=4...(12) HD2 LYS 26 - HB3 LEU 73 OK 34 97 - 35 - 3174/1.8=4, 4524/3.0=3...(14) QD2 LEU 85 - HB3 LEU 73 OK 31 100 - 31 - 3174/1.8=4, 2.1/3179=3...(10) QD2 LEU 30 - HB3 LEU 73 OK 30 60 - 50 - 2.1/3180=7, ~6032=4...(22) QB ALA 75 - HB3 LEU 73 OK 24 60 - 39 - 5743/4.4=7, 2.9/5750=5...(16) QG2 ILE 35 - HB3 LEU 73 OK 22 90 - 24 - 2.1/6138=4, 3174/1.8=3...(9) QG2 VAL 47 - HB3 LEU 73 lone 7 100 - 7 - 3174/1.8=1 QG1 VAL 47 - HB3 LEU 73 lone 6 87 - 7 - Peak 3182 from cnoeabs.peaks (8.57, 1.62, 26.72 ppm; 3.75 A): 3 out of 8 assignments used, quality = 0.96: * H LEU 73 + HG LEU 73 OK 83 100 - 83 - 5.3=36, 3168/3.0=19...(14) H LEU 73 + HG LEU 23 OK 54 98 - 55 - 858=11, 859/2.1=8...(20) H GLY 29 + HG LEU 73 OK 50 97 - 52 - 3175/3.0=12, 3168/3.0=11...(14) H LEU 73 - HG LEU 87 OK 27 98 - 27 - 858=5, 860/2.1=3...(11) H LEU 73 - HG LEU 85 OK 24 93 - 25 - 858=4, 860/2.1=3...(12) H GLY 29 - HG LEU 87 lone 8 92 - 9 - 4576/2.1=2, 4575/3.0=1 H GLY 29 - HG LEU 23 lone 8 93 - 8 - 3175/3179=1 H GLY 29 - HG LEU 85 lone 6 86 - 7 - 4576/2.1=1 Peak 3183 from cnoeabs.peaks (3.91, 1.62, 26.72 ppm; 3.72 A): 4 out of 16 assignments used, quality = 1.00: * HA LEU 73 + HG LEU 73 OK 100 100 - 100 - 3.7=100 HA LEU 23 + HG LEU 23 OK 70 81 - 87 - 4.3=66, 1614/2.1=13...(12) HA LEU 73 + HG LEU 23 OK 54 98 - 56 - 3.0/858=7, 1614/2.1=7...(16) HA LEU 23 + HG LEU 73 OK 46 85 - 54 - 3197/2.1=10, 3190/2.1=9...(16) HA LEU 73 - HG LEU 87 OK 32 98 - 33 - 3.0/3179=4, 3.0/3172=4...(14) HA LEU 73 - HG LEU 85 OK 26 93 - 28 - 3.0/3179=3, 3.0/3172=3...(11) HA LEU 23 - HG LEU 87 OK 23 80 - 29 - 3.0/588=2, 3.0/1596=2...(15) HA LEU 76 - HG LEU 23 OK 22 59 - 37 - 1614/2.1=6, ~4482=6...(11) HA LEU 23 - HG LEU 85 OK 19 74 - 26 - 3.0/1596=2, 3.9/1617=2...(13) HA LEU 76 - HG LEU 73 OK 19 63 - 31 - 3197/2.1=4, 3176/3.0=4...(13) HA GLU 22 - HG LEU 73 OK 17 76 - 23 - 3.6/588=4, 3197/2.1=4...(7) HA GLU 22 - HG LEU 23 OK 10 72 - 14 - 72/5.1=7, 4164/3.0=2, 4162/81=1 HA GLU 22 - HG LEU 85 poor 10 65 - 15 - 3.6/588=2, ~4451=2...(4) HA GLU 22 - HG LEU 87 poor 10 71 - 14 - 3.6/588=2, 1548/4.9=2...(4) HA LEU 76 - HG LEU 87 poor 9 58 - 15 - ~6174=2, 3220/2.1=2...(6) HA LEU 76 - HG LEU 85 poor 6 53 - 11 - ~6174=1, 3220/2.1=1 Peak 3184 from cnoeabs.peaks (1.75, 1.62, 26.72 ppm; 3.04 A): 2 out of 32 assignments used, quality = 1.00: * HB2 LEU 73 + HG LEU 73 OK 100 100 - 100 - 3.0=100 HB2 LEU 73 + HG LEU 23 OK 51 98 - 52 - 3172=9, 1.8/3179=6...(24) QB ALA 74 - HG LEU 73 OK 40 78 - 51 - ~4070=7, 2.9/347=7...(19) HB3 ARG 28 - HG LEU 73 OK 31 95 - 33 - 3198/2.1=4, 3177/3.0=4...(15) HB2 LEU 73 - HG LEU 87 OK 31 98 - 32 - 3172=5, 1.8/3179=4...(10) HB2 LEU 73 - HG LEU 85 OK 25 93 - 27 - 3172=4, 1.8/3179=3...(10) HB2 ARG 27 - HG LEU 73 OK 19 78 - 25 - 4543/2.1=3, ~4544=3...(9) HB3 GLN 55 - HG LEU 73 OK 17 100 - 17 - 3198/2.1=2, 3191/2.1=2...(6) HB2 ARG 27 - HG LEU 23 OK 15 74 - 20 - ~4544=2, ~4548=2...(10) QE MET 11 - HG LEU 73 OK 13 92 - 14 - 4243/2.1=7, 3198/2.1=2 HB3 MET 48 - HG LEU 73 OK 11 100 - 11 - 3198/2.1=2, 3191/2.1=1 HB3 LYS 65 - HG LEU 23 OK 11 83 - 13 - ~4479=1, ~4477=1...(4) HB3 MET 48 - HG LEU 23 lone 9 98 - 9 - ~4479=1, 4853/2.1=1, ~4857=1 HB3 GLN 55 - HG LEU 23 lone 9 98 - 9 - QB ALA 74 - HG LEU 87 lone 7 73 - 9 - 2.9/4069=2 QE MET 11 - HG LEU 23 lone 6 88 - 7 - 4243/2.1=3, 4245/3.0=2 QB ALA 74 - HG LEU 23 lone 6 74 - 8 - 2.9/347=3, ~348=2 HB3 LYS 65 - HG LEU 73 lone 6 87 - 6 - HB2 ARG 27 - HG LEU 87 lone 5 73 - 7 - QB ALA 74 - HG LEU 85 lone 5 67 - 7 - 2.9/4069=2 HB3 ARG 28 - HG LEU 23 lone 4 91 - 4 - HB2 ARG 27 - HG LEU 85 lone 4 67 - 6 - HB3 LYS 65 - HG LEU 87 lone 4 82 - 4 - HB3 MET 48 - HG LEU 85 lone 3 92 - 4 - HB3 GLN 55 - HG LEU 87 lone 3 97 - 3 - HB3 LYS 65 - HG LEU 85 lone 3 76 - 4 - HB3 MET 48 - HG LEU 87 lone 2 97 - 2 - HB3 GLN 55 - HG LEU 85 lone 2 92 - 2 - HB3 ARG 28 - HG LEU 87 lone 2 90 - 2 - HB3 ARG 28 - HG LEU 85 lone 2 84 - 2 - QE MET 11 - HG LEU 85 lone 2 81 - 2 - QE MET 11 - HG LEU 87 lone 1 87 - 2 - Peak 3185 from cnoeabs.peaks (1.67, 1.62, 26.72 ppm; 2.50 A): 6 out of 48 assignments used, quality = 0.92: * HB3 LEU 73 + HG LEU 73 OK 69 100 - 69 - 3.0=59, ~3198=4...(10) HB3 LEU 73 + HG LEU 23 OK 35 98 - 36 - 3179=6, 1.8/3172=4...(12) HG3 ARG 28 + HG LEU 73 OK 21 98 - 21 - 3171/3.0=3, 3199/2.1=2...(10) HG2 ARG 28 + HG LEU 73 OK 20 97 - 21 - 3171/3.0=3, 3199/2.1=2...(10) HB3 LEU 73 + HG LEU 87 OK 20 98 - 21 - 3179=3, 1.8/3172=2...(8) HB2 LEU 30 + HG LEU 87 OK 19 78 - 25 - 3.1/6079=2, 1886/2.1=2...(8) HB2 LEU 30 - HG LEU 73 OK 18 83 - 21 - 3.1/6079=2, 1888/2.1=2...(6) HB2 LEU 30 - HG LEU 23 OK 17 79 - 21 - 1886/2.1=2, 3.1/6079=2...(9) HB3 LEU 73 - HG LEU 85 OK 16 93 - 17 - 3179=3, 1.8/3172=2...(6) HB3 ARG 27 - HG LEU 73 poor 9 65 - 14 - 4544/2.1=2, ~4543=2...(4) HB3 ARG 27 - HG LEU 23 poor 8 62 - 13 - ~4479=1, 4544/2.1=1...(5) HB2 LEU 30 - HG LEU 85 poor 8 72 - 11 - 3.1/6079=1, 1886/2.1=1 HB3 GLU 51 - HG LEU 73 lone 5 96 - 5 - HD3 LYS 31 - HG LEU 73 lone 5 100 - 4 - HD2 LYS 31 - HG LEU 73 lone 5 100 - 4 - HB3 LYS 91 - HG LEU 73 lone 3 90 - 3 - HB3 ARG 27 - HG LEU 87 lone 2 61 - 4 - HB3 GLU 51 - HG LEU 23 lone 2 92 - 2 - HG3 ARG 28 - HG LEU 23 lone 2 95 - 2 - HG2 ARG 28 - HG LEU 23 lone 2 93 - 2 - HB3 LYS 91 - HG LEU 23 lone 2 86 - 2 - HB3 LYS 14 - HG LEU 73 lone 2 71 - 2 - HB2 LYS 14 - HG LEU 73 lone 2 71 - 2 - HB3 ARG 27 - HG LEU 85 lone 2 55 - 3 - HB3 LYS 31 - HG LEU 73 lone 1 60 - 2 - HG3 ARG 28 - HG LEU 87 lone 1 94 - 1 - HG2 ARG 28 - HG LEU 87 lone 1 92 - 1 - HG3 ARG 28 - HG LEU 85 lone 1 89 - 1 - HG2 ARG 28 - HG LEU 85 lone 1 86 - 1 - HB3 GLU 51 - HG LEU 87 lone 1 91 - 1 - HB3 LYS 31 - HG LEU 87 lone 1 56 - 1 - HB3 LYS 31 - HG LEU 23 lone 1 56 - 1 - HD3 LYS 31 - HG LEU 23 lone 1 98 - 1 - HD2 LYS 31 - HG LEU 23 lone 1 98 - 1 - HB3 GLU 51 - HG LEU 85 lone 1 85 - 1 - HD3 LYS 31 - HG LEU 87 lone 0 97 - 0 - HD2 LYS 31 - HG LEU 87 lone 0 98 - 0 - HB3 LYS 91 - HG LEU 87 lone 0 85 - 1 - HB2 LYS 14 - HG LEU 87 lone 0 66 - 1 - HB3 LYS 14 - HG LEU 87 lone 0 66 - 1 - HB3 LYS 14 - HG LEU 85 lone 0 60 - 1 - HB2 LYS 14 - HG LEU 85 lone 0 60 - 1 - HD3 LYS 31 - HG LEU 85 lone 0 92 - 0 - HD2 LYS 31 - HG LEU 85 lone 0 93 - 0 - HB3 LYS 14 - HG LEU 23 lone 0 67 - 0 - HB2 LYS 14 - HG LEU 23 lone 0 67 - 0 - HB3 LYS 31 - HG LEU 85 lone 0 51 - 1 - HB3 LYS 91 - HG LEU 85 lone 0 79 - 0 - Peak 3186 from cnoeabs.peaks (1.62, 1.62, 26.72 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG LEU 73 + HG LEU 73 OK 100 100 - 100 HG LEU 23 + HG LEU 23 OK 96 96 - 100 HG LEU 87 + HG LEU 87 OK 94 94 - 100 HG LEU 85 + HG LEU 85 OK 82 82 - 100 Peak 3187 from cnoeabs.peaks (0.78, 1.62, 26.72 ppm; 2.89 A): 2 out of 24 assignments used, quality = 1.00: * QD1 LEU 73 + HG LEU 73 OK 100 100 - 100 - 2.1=100 QD1 LEU 23 + HG LEU 23 OK 92 92 - 100 - 2.1=100 QD1 LEU 73 - HG LEU 23 OK 42 98 - 43 - 3193=6, 2.1/3200=5...(19) QD1 LEU 23 - HG LEU 73 OK 42 96 - 44 - 1617=7, 3201/2.1=6...(19) QD2 LEU 79 - HG LEU 23 OK 41 95 - 43 - 1612/2.1=5, 3414/3.0=4...(26) QD1 LEU 30 - HG LEU 87 OK 38 96 - 40 - 6079=5, 1907/2.1=4...(17) QD1 LEU 30 - HG LEU 73 OK 38 99 - 38 - 6079=5, 3201/2.1=5...(13) QD1 LEU 30 - HG LEU 23 OK 30 97 - 31 - 6079=4, 1907/2.1=4...(14) QD1 LEU 73 - HG LEU 87 OK 30 98 - 31 - 3193=4, 2.1/3200=3...(8) QD1 LEU 73 - HG LEU 85 OK 23 93 - 25 - 3193=3, 2.1/3200=2...(7) QD1 LEU 23 - HG LEU 87 OK 22 91 - 24 - 1617=4, 1618/2.1=2...(6) QD1 LEU 23 - HG LEU 85 OK 20 85 - 23 - 1617=3, 2.1/1610=2...(6) QD1 LEU 30 - HG LEU 85 OK 17 91 - 19 - 6079=3, 1907/2.1=2...(5) HG3 LYS 68 - HG LEU 23 OK 16 62 - 27 - 1612/2.1=3, 1.8/3055=2...(12) HG2 LYS 26 - HG LEU 73 OK 14 63 - 22 - 3201/2.1=2, 3180/3.0=2...(6) HG2 LYS 26 - HG LEU 87 OK 14 58 - 23 - 1705/2.1=2, 1704/2.1=1...(5) HG3 LYS 68 - HG LEU 73 OK 12 65 - 18 - ~6107=2, 1.8/3055=2...(5) HG2 LYS 26 - HG LEU 85 OK 11 53 - 22 - 1705/2.1=1, 1704/2.1=1...(5) QD2 LEU 79 - HG LEU 73 OK 10 98 - 10 - 3201/2.1=1, 3173/3.0=1 HG2 LYS 26 - HG LEU 23 poor 7 59 - 12 - 1705/2.1=1 QD2 LEU 79 - HG LEU 87 lone 5 94 - 6 - 5843/3.7=1, 3412/5.2=1 HG3 LYS 68 - HG LEU 87 lone 4 61 - 6 - HG3 LYS 68 - HG LEU 85 lone 3 55 - 6 - QD2 LEU 79 - HG LEU 85 lone 3 89 - 3 - Peak 3188 from cnoeabs.peaks (0.84, 1.62, 26.72 ppm; 2.90 A): 3 out of 36 assignments used, quality = 1.00: * QD2 LEU 73 + HG LEU 73 OK 100 100 - 100 - 2.1=100 QD2 LEU 87 + HG LEU 87 OK 97 97 - 100 - 2.1=100 QD2 LEU 85 + HG LEU 85 OK 92 92 - 100 - 2.1=100 QD2 LEU 85 - HG LEU 87 OK 43 97 - 44 - 3605/2.1=3, 3610=3...(23) QD2 LEU 73 - HG LEU 23 OK 42 98 - 44 - 3200=7, 3201/2.1=6...(18) QD2 LEU 87 - HG LEU 85 OK 41 92 - 45 - 3605/2.1=3, 3607/3.7=3...(22) QD2 LEU 73 - HG LEU 87 OK 28 98 - 29 - 3200=5, 2.1/3193=3...(10) QD2 LEU 73 - HG LEU 85 OK 23 93 - 24 - 3200=4, 2.1/3193=2...(9) QD2 LEU 87 - HG LEU 73 OK 22 100 - 22 - 3195/2.1=2, 3174/3.0=2...(7) HD2 LYS 26 - HG LEU 73 OK 20 97 - 21 - 1722/2.1=2, 3181/3.0=2...(6) HD2 LYS 26 - HG LEU 87 OK 19 93 - 21 - 1725/2.1=3, ~1734=2...(4) QD2 LEU 85 - HG LEU 73 OK 19 100 - 19 - 3195/2.1=2, 3174/3.0=2...(5) QD2 LEU 30 - HG LEU 73 OK 19 60 - 32 - 2.1/6079=4, 1916/2.1=3...(15) QD2 LEU 30 - HG LEU 87 OK 19 56 - 34 - 2.1/6079=4, 1912/3.7=2...(19) HD2 LYS 26 - HG LEU 85 OK 17 88 - 20 - 1725/2.1=3, ~1734=1...(4) QD2 LEU 87 - HG LEU 23 OK 16 98 - 17 - 3658=1, ~1617=1, ~1610=1 QG2 ILE 35 - HG LEU 73 OK 16 90 - 18 - ~6147=2, ~5714=2...(10) QD2 LEU 85 - HG LEU 23 OK 16 98 - 16 - 3610=1, ~1610=1, ~1617=1 QD2 LEU 30 - HG LEU 23 OK 16 56 - 28 - 2.1/6079=4, ~6078=3...(16) HD2 LYS 26 - HG LEU 23 OK 13 94 - 13 - 4524/4.3=2, 1725/2.1=2...(5) QB ALA 75 - HG LEU 73 poor 10 60 - 16 - ~5706=2, ~5750=2...(9) QD2 LEU 30 - HG LEU 85 poor 8 51 - 16 - 2.1/6079=2 QG2 VAL 47 - HG LEU 73 lone 5 100 - 4 - QG1 VAL 47 - HG LEU 73 lone 4 87 - 4 - QG2 ILE 35 - HG LEU 85 lone 4 79 - 4 - QG2 VAL 47 - HG LEU 85 lone 3 93 - 3 - QB ALA 75 - HG LEU 23 lone 3 56 - 5 - ~5765=1 QG2 ILE 35 - HG LEU 23 lone 3 86 - 3 - QG1 VAL 47 - HG LEU 85 lone 3 76 - 3 - QG2 ILE 35 - HG LEU 87 lone 2 85 - 3 - QG2 VAL 47 - HG LEU 87 lone 2 97 - 2 - QB ALA 75 - HG LEU 87 lone 2 56 - 4 - QG1 VAL 47 - HG LEU 87 lone 2 82 - 2 - QB ALA 75 - HG LEU 85 lone 1 51 - 2 - QG2 VAL 47 - HG LEU 23 lone 1 98 - 1 - QG1 VAL 47 - HG LEU 23 lone 1 83 - 1 - Peak 3189 from cnoeabs.peaks (8.57, 0.78, 24.28 ppm; 3.95 A): 2 out of 4 assignments used, quality = 0.98: * H LEU 73 + QD1 LEU 73 OK 95 100 - 95 - 4.4=71, 1005/4.6=22...(17) H GLY 29 + QD1 LEU 73 OK 59 97 - 61 - 3175/3.1=12, 3168/3.1=12...(16) H LEU 73 - HG2 LYS 26 OK 15 41 - 37 - 859=5, 860/3.0=4...(16) H GLY 29 - HG2 LYS 26 poor 4 37 - 12 - 4.6/637=2, 4576/3.0=2 Peak 3190 from cnoeabs.peaks (3.91, 0.78, 24.28 ppm; 3.22 A): 5 out of 8 assignments used, quality = 0.94: * HA LEU 73 + QD1 LEU 73 OK 83 100 - 83 - 3.9=54, 3197/2.1=17...(16) HA LEU 23 + QD1 LEU 73 OK 41 85 - 49 - 3197/2.1=8, 3166=5...(19) HA LEU 76 + QD1 LEU 73 OK 18 63 - 28 - 3.6/5705=5, 3197/2.1=3...(11) HA GLU 22 + QD1 LEU 73 OK 15 76 - 20 - 3.6/590=4, 3197/2.1=3...(7) HA LEU 73 + HG2 LYS 26 OK 12 41 - 29 - 4521/2.9=3, 6156/4.9=3...(13) HA LEU 23 - HG2 LYS 26 poor 9 30 - 31 - 6156/4.9=7, 4521/2.9=5...(13) HA LEU 76 - HG2 LYS 26 poor 6 20 - 28 - 4521/2.9=3, 2.9/6172=3...(14) HA GLU 22 - HG2 LYS 26 lone 2 26 - 7 - ~4451=1 Peak 3191 from cnoeabs.peaks (1.75, 0.78, 24.28 ppm; 3.23 A): 2 out of 16 assignments used, quality = 1.00: * HB2 LEU 73 + QD1 LEU 73 OK 100 100 - 100 - 3.1=100 QB ALA 74 + QD1 LEU 73 OK 46 78 - 58 - 2.9/4070=13, ~4067=7...(20) HB3 ARG 28 - QD1 LEU 73 OK 40 95 - 42 - 3198/2.1=5, 4.0/4558=4...(17) HB2 ARG 27 - QD1 LEU 73 OK 28 78 - 36 - 1.8/4544=5, 4.2/4558=4...(11) HB3 GLN 55 - QD1 LEU 73 OK 25 100 - 25 - 4.5/5709=3, 3198/2.1=3...(10) QE MET 11 - QD1 LEU 73 OK 23 92 - 25 - 4243=10, 3198/2.1=2...(5) HB3 MET 48 - QD1 LEU 73 OK 16 100 - 15 - 3198/2.1=2, 4.0/4868=1...(5) HB2 LEU 73 - HG2 LYS 26 OK 14 41 - 34 - 3173=3, 1.8/3180=3...(15) HB3 MET 48 - HG2 LYS 26 poor 10 41 - 23 - 4898/2.9=2, 2427/3.9=2...(10) HB3 LYS 65 - QD1 LEU 73 poor 9 87 - 10 - 4.4/5705=2, 3.0/5456=2 HB2 ARG 27 - HG2 LYS 26 poor 7 27 - 28 - 4.0/100=4, 4543=3...(9) HB3 GLN 55 - HG2 LYS 26 lone 3 41 - 8 - 3.9/5169=1 QB ALA 74 - HG2 LYS 26 poor 3 27 - 10 - 2.9/4070=2, 5717/2.9=1 QE MET 11 - HG2 LYS 26 lone 1 34 - 4 - 4243=1 HB3 ARG 28 - HG2 LYS 26 lone 1 36 - 3 - HB3 LYS 65 - HG2 LYS 26 lone 1 31 - 3 - Peak 3192 from cnoeabs.peaks (1.67, 0.78, 24.28 ppm; 3.25 A): 1 out of 24 assignments used, quality = 1.00: * HB3 LEU 73 + QD1 LEU 73 OK 100 100 - 100 - 3.1=100 HG3 ARG 28 - QD1 LEU 73 OK 39 98 - 40 - 3199/2.1=4, 3171/3.1=4...(14) HB2 LEU 30 - QD1 LEU 73 OK 39 83 - 47 - 1888=6, 1.8/1895=5...(18) HG2 ARG 28 - QD1 LEU 73 OK 39 97 - 40 - 3199/2.1=4, 3171/3.1=4...(14) HB3 ARG 27 - QD1 LEU 73 OK 22 65 - 34 - 1.8/4543=5, 4.2/4558=4...(12) HB3 LEU 73 - HG2 LYS 26 OK 14 41 - 35 - 3180=4, 1.8/3173=3...(14) HB2 LEU 30 - HG2 LYS 26 OK 14 29 - 48 - 1.8/1895=5, 1888=5...(25) HB3 GLU 51 - QD1 LEU 73 OK 13 96 - 13 - 5089/4.4=3, 3199/2.1=1 HD3 LYS 31 - QD1 LEU 73 OK 12 100 - 12 - 5.8/130=1, 3.0/6107=1...(5) HD2 LYS 31 - QD1 LEU 73 OK 12 100 - 12 - 5.8/130=1, 3.0/6107=1...(5) HB2 LYS 14 - HG2 LYS 26 poor 7 24 - 31 - 1227/1.8=3, ~1257=2...(15) HB3 LYS 14 - HG2 LYS 26 poor 7 24 - 31 - 1227/1.8=3, ~1257=2...(15) HB3 LYS 91 - QD1 LEU 73 lone 7 90 - 7 - HB3 ARG 27 - HG2 LYS 26 poor 6 21 - 26 - 1.8/4543=4, 4.0/100=4...(8) HB3 LYS 31 - QD1 LEU 73 lone 6 60 - 9 - 3.9/130=2, 3.0/6107=1 HD3 LYS 31 - HG2 LYS 26 lone 3 41 - 8 - HD2 LYS 31 - HG2 LYS 26 lone 3 41 - 8 - HB3 LYS 14 - QD1 LEU 73 lone 3 71 - 5 - HB2 LYS 14 - QD1 LEU 73 lone 3 71 - 5 - HB3 LYS 91 - HG2 LYS 26 lone 2 33 - 7 - HB3 LYS 31 - HG2 LYS 26 poor 2 19 - 11 - 3.9/130=2, ~1933=1 HB3 GLU 51 - HG2 LYS 26 lone 1 37 - 4 - HG3 ARG 28 - HG2 LYS 26 lone 1 39 - 3 - HG2 ARG 28 - HG2 LYS 26 lone 1 37 - 3 - Peak 3193 from cnoeabs.peaks (1.62, 0.78, 24.28 ppm; 2.90 A): 1 out of 24 assignments used, quality = 1.00: * HG LEU 73 + QD1 LEU 73 OK 100 100 - 100 - 2.1=100 HG LEU 23 - QD1 LEU 73 OK 42 99 - 43 - 3200/2.1=5, 2.1/1612=4...(19) HG LEU 87 - QD1 LEU 73 OK 28 98 - 28 - 3200/2.1=3, 2.1/3195=2...(7) HG LEU 85 - QD1 LEU 73 OK 22 93 - 23 - 3200/2.1=3, 2.1/3195=2...(7) HB2 LEU 87 - QD1 LEU 73 OK 20 83 - 25 - 3200/2.1=2, 3.1/3195=2...(6) HB2 LYS 68 - QD1 LEU 73 OK 20 90 - 22 - 2.9/6107=2, 3200/2.1=2...(7) HB3 LEU 85 - QD1 LEU 73 OK 12 63 - 19 - 3200/2.1=2, 3.1/3195=1 HB2 LYS 68 - HG2 LYS 26 OK 11 33 - 33 - 3036/2.9=3, 3039/1.8=3...(14) HG LEU 73 - HG2 LYS 26 poor 9 41 - 22 - 2.1/3201=2, 3.0/3180=2...(6) HG LEU 87 - HG2 LYS 26 poor 8 39 - 21 - ~1715=1, ~1714=1, 3187=1 HG LEU 85 - HG2 LYS 26 poor 7 35 - 20 - ~1715=1, ~1714=1 HD3 LYS 91 - QD1 LEU 73 lone 6 87 - 7 - HD2 LYS 91 - QD1 LEU 73 lone 6 85 - 7 - HB2 LEU 87 - HG2 LYS 26 poor 6 29 - 20 - HB2 LYS 14 - HG2 LYS 26 poor 5 20 - 24 - 1237/1.8=2, ~1237=2...(15) HB3 LYS 14 - HG2 LYS 26 poor 5 20 - 24 - 1237/1.8=2, ~1237=2...(15) HB2 LEU 12 - QD1 LEU 73 lone 5 83 - 6 - 1.8/6107=1 HG LEU 23 - HG2 LYS 26 poor 4 39 - 11 - HB3 LEU 85 - HG2 LYS 26 poor 4 20 - 18 - HB3 LYS 14 - QD1 LEU 73 lone 2 63 - 4 - HB2 LYS 14 - QD1 LEU 73 lone 2 63 - 4 - HB2 LEU 12 - HG2 LYS 26 lone 2 29 - 6 - HD3 LYS 91 - HG2 LYS 26 lone 0 31 - 1 - HD2 LYS 91 - HG2 LYS 26 lone 0 30 - 1 - Peak 3194 from cnoeabs.peaks (0.78, 0.78, 24.28 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 73 + QD1 LEU 73 OK 100 100 - 100 HG2 LYS 26 - HG2 LYS 26 OK 20 20 - 100 Peak 3195 from cnoeabs.peaks (0.84, 0.78, 24.28 ppm; 2.40 A): 1 out of 18 assignments used, quality = 1.00: * QD2 LEU 73 + QD1 LEU 73 OK 100 100 - 100 - 2.1=100 HD2 LYS 26 - HG2 LYS 26 OK 23 38 - 60 - 3.0=53, 1718/4.9=4...(5) QD2 LEU 87 - QD1 LEU 73 OK 16 100 - 16 - 2.1/3193=2, 3174/3.1=1 QD2 LEU 30 - QD1 LEU 73 OK 15 60 - 25 - 1916=3, 2.1/1902=3...(8) HD2 LYS 26 - QD1 LEU 73 OK 14 97 - 14 - 3174/3.1=1, 3181/3.1=1, 1722=1 QD2 LEU 85 - QD1 LEU 73 OK 13 100 - 13 - 2.1/3193=1, 3174/3.1=1 QG2 ILE 35 - QD1 LEU 73 OK 12 90 - 13 - 3.2/5713=2, 2.1/6145=2...(4) QB ALA 75 - QD1 LEU 73 poor 8 60 - 13 - 5743/4.6=3, 2.9/5706=2 QD2 LEU 73 - HG2 LYS 26 poor 8 41 - 19 - 3201=3, 1734/3.0=1...(5) QD2 LEU 87 - HG2 LYS 26 poor 6 41 - 16 - 1734/3.0=2, 1714/1.8=1 QD2 LEU 85 - HG2 LYS 26 poor 6 41 - 14 - 1734/3.0=1, 1714/1.8=1 QD2 LEU 30 - HG2 LYS 26 poor 6 19 - 29 - 1916=3, 2.1/1902=2...(10) QG2 VAL 47 - HG2 LYS 26 poor 5 41 - 12 - 4840/1.8=3, 4835/2.9=1 QG2 VAL 47 - QD1 LEU 73 lone 4 100 - 4 - QG1 VAL 47 - HG2 LYS 26 lone 3 31 - 9 - ~4840=2, 4840/1.8=1 QG1 VAL 47 - QD1 LEU 73 lone 3 87 - 3 - QB ALA 75 - HG2 LYS 26 lone 1 19 - 6 - QG2 ILE 35 - HG2 LYS 26 lone 1 33 - 3 - Peak 3196 from cnoeabs.peaks (8.57, 0.84, 24.71 ppm; 4.24 A): 2 out of 2 assignments used, quality = 0.99: * H LEU 73 + QD2 LEU 73 OK 98 100 - 98 - 4.4=88, 1005/4.6=26...(16) H GLY 29 + QD2 LEU 73 OK 59 97 - 61 - 3175/3.1=14, 3168/3.1=14...(13) Peak 3197 from cnoeabs.peaks (3.91, 0.84, 24.71 ppm; 3.31 A): 4 out of 4 assignments used, quality = 0.94: * HA LEU 73 + QD2 LEU 73 OK 85 100 - 85 - 3.9=59, 3190/2.1=15...(16) HA LEU 23 + QD2 LEU 73 OK 39 85 - 47 - 3190/2.1=7, 3167=6...(18) HA LEU 76 + QD2 LEU 73 OK 16 63 - 25 - 2.9/6174=4, 2.9/6173=3...(10) HA GLU 22 + QD2 LEU 73 OK 14 76 - 19 - 3190/2.1=3, 3.0/6147=2...(8) Peak 3198 from cnoeabs.peaks (1.75, 0.84, 24.71 ppm; 3.09 A): 1 out of 8 assignments used, quality = 0.98: * HB2 LEU 73 + QD2 LEU 73 OK 98 100 - 98 - 3.1=96, 3.0/3197=12...(13) QB ALA 74 - QD2 LEU 73 OK 43 78 - 55 - 3206/4.6=11, ~4070=8...(21) HB3 ARG 28 - QD2 LEU 73 OK 34 95 - 36 - 4.6/3196=4, 3177/3.1=4...(15) HB2 ARG 27 - QD2 LEU 73 OK 21 78 - 27 - 4543/2.1=3, ~4544=3...(11) HB3 GLN 55 - QD2 LEU 73 OK 19 100 - 19 - 4.5/5708=2, 3191/2.1=2...(8) QE MET 11 - QD2 LEU 73 OK 17 92 - 19 - 4243/2.1=8, 4246/5707=3...(4) HB3 MET 48 - QD2 LEU 73 OK 13 100 - 13 - 3191/2.1=1, 3177/3.1=1 HB3 LYS 65 - QD2 LEU 73 lone 6 87 - 6 - Peak 3199 from cnoeabs.peaks (1.67, 0.84, 24.71 ppm; 3.31 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LEU 73 + QD2 LEU 73 OK 100 100 - 100 - 3.1=100 HG3 ARG 28 - QD2 LEU 73 OK 37 98 - 38 - 3171/3.1=4, 4.9/3196=4...(13) HG2 ARG 28 - QD2 LEU 73 OK 36 97 - 38 - 4.9/3196=4, 3171/3.1=4...(13) HB2 LEU 30 - QD2 LEU 73 OK 35 83 - 42 - 3.1/3201=5, 1888/2.1=4...(17) HB3 ARG 27 - QD2 LEU 73 OK 19 65 - 30 - 4544/2.1=3, 1.8/3198=3...(13) HB3 GLU 51 - QD2 LEU 73 OK 12 96 - 12 - 5089/4.4=3, 3192/2.1=1...(4) HD3 LYS 31 - QD2 LEU 73 lone 9 100 - 9 - 3192/2.1=1 HD2 LYS 31 - QD2 LEU 73 lone 9 100 - 9 - 3192/2.1=1 HB3 LYS 91 - QD2 LEU 73 lone 6 90 - 6 - HB2 LYS 14 - QD2 LEU 73 lone 4 71 - 5 - HB3 LYS 14 - QD2 LEU 73 lone 4 71 - 5 - HB3 LYS 31 - QD2 LEU 73 lone 3 60 - 5 - Peak 3200 from cnoeabs.peaks (1.62, 0.84, 24.71 ppm; 2.98 A): 1 out of 12 assignments used, quality = 1.00: * HG LEU 73 + QD2 LEU 73 OK 100 100 - 100 - 2.1=100 HG LEU 23 - QD2 LEU 73 OK 42 99 - 43 - 2.1/3201=6, 3193/2.1=4...(19) HG LEU 87 - QD2 LEU 73 OK 28 98 - 28 - 3193/2.1=3, 3179/3.1=2...(12) HG LEU 85 - QD2 LEU 73 OK 23 93 - 25 - 3193/2.1=2, 3179/3.1=2...(9) HB2 LEU 87 - QD2 LEU 73 OK 22 83 - 26 - 3193/2.1=2, 3179/3.1=2...(7) HB2 LYS 68 - QD2 LEU 73 OK 19 90 - 21 - 3193/2.1=2, ~6107=1...(8) HB3 LEU 85 - QD2 LEU 73 OK 14 63 - 22 - 1.8/3584=2, 3632=1...(6) HD3 LYS 91 - QD2 LEU 73 lone 6 87 - 6 - HD2 LYS 91 - QD2 LEU 73 lone 6 85 - 6 - HB2 LEU 12 - QD2 LEU 73 lone 4 83 - 5 - HB3 LYS 14 - QD2 LEU 73 lone 3 63 - 4 - HB2 LYS 14 - QD2 LEU 73 lone 3 63 - 4 - Peak 3201 from cnoeabs.peaks (0.78, 0.84, 24.71 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 73 + QD2 LEU 73 OK 100 100 - 100 - 2.1=100 QD1 LEU 23 - QD2 LEU 73 OK 27 96 - 29 - 2.1/3200=3, 1617/2.1=3...(11) QD1 LEU 30 - QD2 LEU 73 OK 25 99 - 25 - 6079/2.1=3, 3180/3.1=2...(10) HG2 LYS 26 - QD2 LEU 73 OK 11 63 - 18 - 3195=2, 3.0/1734=1...(5) HG3 LYS 68 - QD2 LEU 73 poor 7 65 - 11 - ~6107=1, 2.9/3200=1 QD2 LEU 79 - QD2 LEU 73 lone 7 98 - 7 - Peak 3202 from cnoeabs.peaks (0.84, 0.84, 24.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 73 + QD2 LEU 73 OK 100 100 - 100 Peak 3203 from cnoeabs.peaks (7.80, 4.15, 54.74 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 74 + HA ALA 74 OK 100 100 - 100 - 2.9=100 Peak 3204 from cnoeabs.peaks (4.15, 4.15, 54.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 74 + HA ALA 74 OK 100 100 - 100 Peak 3205 from cnoeabs.peaks (1.77, 4.15, 54.74 ppm; 2.81 A): 1 out of 14 assignments used, quality = 1.00: * QB ALA 74 + HA ALA 74 OK 100 100 - 100 - 2.1=100 HB2 LEU 73 - HA ALA 74 OK 31 78 - 39 - 4067/2.9=11, ~4068=8...(14) HB2 ARG 28 - HA ALA 74 OK 12 97 - 12 - 863/2.9=2, ~1081=2...(6) HB3 ARG 28 - HA ALA 74 OK 11 98 - 11 - 863/2.9=3, ~1081=2...(4) HB2 ARG 27 - HA ALA 74 OK 11 100 - 11 - 863/2.9=2, 352/3.6=1 HD3 LYS 78 - HA ALA 74 lone 7 99 - 7 - 6.2/1100=2 HB2 LYS 65 - HA ALA 74 lone 4 96 - 5 - 4.4/4228=1 HB3 GLN 55 - HA ALA 74 lone 4 68 - 6 - HB2 MET 48 - HA ALA 74 lone 4 87 - 4 - HB3 MET 48 - HA ALA 74 lone 3 73 - 3 - HB2 LYS 31 - HA ALA 74 lone 3 97 - 3 - HG3 GLU 37 - HA ALA 74 lone 2 96 - 2 - QE MET 11 - HA ALA 74 lone 2 99 - 2 - HB2 LYS 91 - HA ALA 74 lone 1 89 - 1 - Peak 3206 from cnoeabs.peaks (7.80, 1.77, 17.66 ppm; 2.84 A): 1 out of 1 assignment used, quality = 0.95: * H ALA 74 + QB ALA 74 OK 95 100 - 95 - 2.9=91, 350/3.4=18...(16) Peak 3207 from cnoeabs.peaks (4.15, 1.77, 17.66 ppm; 2.76 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 74 + QB ALA 74 OK 100 100 - 100 - 2.1=100 HA MET 21 - QB ALA 74 OK 17 100 - 17 - 351/3.4=4, 862/2.9=3...(7) HB THR 83 - QB ALA 74 lone 2 71 - 2 - Peak 3208 from cnoeabs.peaks (1.77, 1.77, 17.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 74 + QB ALA 74 OK 100 100 - 100 Peak 3209 from cnoeabs.peaks (7.36, 2.05, 53.88 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 75 + HA ALA 75 OK 100 100 - 100 - 2.9=100 H GLU 25 - HA ALA 75 OK 36 100 - 37 - 3212/2.1=9, 353/3.6=6...(9) QE PHE 46 - HA ALA 75 lone 8 89 - 9 - 353/3.6=3, 3212/2.1=2 Peak 3210 from cnoeabs.peaks (2.05, 2.05, 53.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 75 + HA ALA 75 OK 100 100 - 100 Peak 3211 from cnoeabs.peaks (0.87, 2.05, 53.88 ppm; 2.88 A): 2 out of 11 assignments used, quality = 1.00: * QB ALA 75 + HA ALA 75 OK 100 100 - 100 - 2.1=100 QD1 LEU 76 + HA ALA 75 OK 47 96 - 49 - 2.1/5764=7, 3243/3.6=7...(19) QD2 LEU 73 - HA ALA 75 poor 9 60 - 15 - 866/2.9=3, ~5706=2...(6) QD2 LEU 30 - HA ALA 75 lone 9 100 - 9 - 866/2.9=1, 5718/4.4=1 HD2 LYS 26 - HA ALA 75 lone 8 85 - 10 - 3.0/5764=1, 355/3.6=1, 866/2.9=1 HD3 LYS 26 - HA ALA 75 lone 6 60 - 10 - 872/3.6=1, 3.0/5764=1 QD1 LEU 87 - HA ALA 75 lone 5 73 - 7 - 4.7/5746=1 QD2 LEU 87 - HA ALA 75 lone 4 71 - 6 - 4.7/5746=1 HB3 LEU 30 - HA ALA 75 lone 4 60 - 6 - QD1 LEU 85 - HA ALA 75 lone 3 81 - 4 - QG2 VAL 47 - HA ALA 75 lone 1 63 - 2 - Peak 3212 from cnoeabs.peaks (7.36, 0.87, 19.18 ppm; 3.07 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 75 + QB ALA 75 OK 100 100 - 100 - 2.9=100 H GLU 25 - QB ALA 75 OK 32 100 - 33 - 3209/2.1=7, 353/3.6=5...(11) QE PHE 46 - QB ALA 75 lone 8 89 - 9 - 353/3.6=2, 3209/2.1=2 Peak 3213 from cnoeabs.peaks (2.05, 0.87, 19.18 ppm; 3.03 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 75 + QB ALA 75 OK 100 100 - 100 - 2.1=100 HB2 MET 21 - QB ALA 75 OK 23 99 - 23 - 1.8/6110=6, 865/2.9=3...(7) HG2 GLU 22 - QB ALA 75 OK 22 92 - 24 - 4464=4, 1.8/4461=4...(10) HB3 GLU 77 - QB ALA 75 OK 21 92 - 23 - 4.0/361=4, 4.1/5741=3...(8) HG3 GLN 55 - QB ALA 75 OK 17 93 - 18 - 1.8/6110=6, 4.7/5744=2...(5) HB2 GLN 55 - QB ALA 75 OK 17 92 - 18 - 2.9/6110=5, 4.6/5744=2...(6) QE MET 21 - QB ALA 75 OK 11 100 - 11 - 4.2/6110=4, 865/2.9=1 HG3 GLU 33 - QB ALA 75 lone 7 99 - 7 - 354/3.6=1 Peak 3214 from cnoeabs.peaks (0.87, 0.87, 19.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 75 + QB ALA 75 OK 100 100 - 100 Peak 3215 from cnoeabs.peaks (8.54, 3.94, 58.16 ppm; 3.60 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 76 + HA LEU 76 OK 100 100 - 100 - 3.0=100 H ASP 82 - HA LEU 76 OK 41 100 - 41 - 3222/2.9=7, 3229/2.9=6...(11) H GLY 61 - HA LEU 76 OK 29 97 - 30 - 3222/2.9=5, 3229/2.9=5...(8) Peak 3216 from cnoeabs.peaks (3.94, 3.94, 58.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 76 + HA LEU 76 OK 100 100 - 100 Peak 3217 from cnoeabs.peaks (1.95, 3.94, 58.16 ppm; 3.54 A): 1 out of 15 assignments used, quality = 1.00: * HB2 LEU 76 + HA LEU 76 OK 100 100 - 100 - 2.9=100 HB2 GLU 77 - HA LEU 76 OK 37 95 - 39 - 3263/3.6=10, 4.1/4240=7...(14) HB3 GLU 22 - HA LEU 76 OK 35 100 - 35 - 4.6/585=4, 3263/3.6=4...(17) HB VAL 20 - HA LEU 76 OK 33 99 - 34 - 2.1/3221=5, 3231/2.9=3...(18) HB3 PRO 81 - HA LEU 76 OK 27 73 - 37 - 3.0/6112=6, 3.9/3215=5...(11) HD2 LYS 78 - HA LEU 76 OK 26 71 - 38 - 2.9/3218=4, 6.2/1097=4...(19) HB2 GLU 33 - HA LEU 76 OK 24 100 - 24 - 1.8/3219=3, 358/3.6=2...(11) QE MET 48 - HA LEU 76 OK 22 92 - 24 - 4869/4.0=5, 4864/2.9=4...(8) HG3 PRO 81 - HA LEU 76 OK 22 68 - 32 - 2.3/6112=7, ~4107=4...(9) HB VAL 47 - HA LEU 76 OK 16 92 - 17 - 3.0/5789=4, ~6051=2...(7) HB2 GLU 51 - HA LEU 76 OK 11 78 - 14 - 3.0/3219=2, 3.0/3219=2 HG2 PRO 19 - HA LEU 76 lone 9 93 - 9 - 3245/4.0=1, 3231/2.9=1 HB2 GLN 58 - HA LEU 76 lone 8 92 - 8 - 4.6/6158=1 HG3 PRO 84 - HA LEU 76 lone 6 100 - 6 - HG3 GLU 49 - HA LEU 76 lone 5 85 - 6 - Peak 3218 from cnoeabs.peaks (1.46, 3.94, 58.16 ppm; 3.56 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 76 + HA LEU 76 OK 100 100 - 100 - 2.9=100 HD2 LYS 64 + HA LEU 76 OK 49 99 - 49 - 2.9/3221=7, 2872/4.0=6...(19) HG3 LYS 78 - HA LEU 76 OK 45 99 - 45 - 4.9/1097=5, 3225/2.9=4...(23) HG LEU 79 - HA LEU 76 OK 42 95 - 44 - 5.0/6158=7, 2.1/3221=6...(19) HB3 LYS 64 - HA LEU 76 OK 36 78 - 46 - 3.0/3221=7, 3225/2.9=4...(24) HG2 LYS 65 - HA LEU 76 OK 22 89 - 25 - 3.0/3219=3, 359/3.6=2...(13) HG LEU 12 - HA LEU 76 OK 17 100 - 17 - 2.1/4266=2, 3225/2.9=1...(5) HB3 ARG 45 - HA LEU 76 lone 6 98 - 6 - Peak 3219 from cnoeabs.peaks (1.81, 3.94, 58.16 ppm; 3.73 A): 1 out of 13 assignments used, quality = 1.00: * HG LEU 76 + HA LEU 76 OK 100 100 - 100 - 3.6=100 HD3 LYS 78 - HA LEU 76 OK 30 73 - 41 - 6.2/1097=4, 2.9/3218=4...(18) HB2 LYS 65 - HA LEU 76 OK 27 83 - 33 - 3.8/5788=4, 4032/3.6=3...(12) HB3 GLU 33 - HA LEU 76 OK 25 99 - 25 - 360/3.6=4, 871/3.0=3...(9) HB2 MET 48 - HA LEU 76 OK 20 93 - 21 - 3226/2.9=3, 3233/2.9=3...(10) HG2 GLU 51 - HA LEU 76 OK 18 100 - 18 - 3226/2.9=2, 3233/2.9=2...(8) HG3 GLU 51 - HA LEU 76 OK 18 100 - 18 - 3226/2.9=2, 3233/2.9=2...(8) HB2 LYS 31 - HA LEU 76 lone 7 81 - 9 - 4603/5.0=1 HB2 GLU 37 - HA LEU 76 lone 7 99 - 7 - HB2 LYS 44 - HA LEU 76 lone 7 99 - 7 - HG3 GLU 37 - HA LEU 76 lone 6 83 - 7 - HB2 ARG 28 - HA LEU 76 lone 5 81 - 7 - HB2 LYS 91 - HA LEU 76 lone 3 92 - 4 - Peak 3220 from cnoeabs.peaks (0.88, 3.94, 58.16 ppm; 3.44 A): 2 out of 7 assignments used, quality = 0.96: * QD1 LEU 76 + HA LEU 76 OK 87 100 - 87 - 4.0=64, 2.1/3251=16...(14) QB ALA 75 + HA LEU 76 OK 72 96 - 75 - 5.0=33, 4075/3.0=17...(15) HD3 LYS 26 - HA LEU 76 OK 43 89 - 49 - 1.8/4524=5, 4525=5...(19) QD2 LEU 30 - HA LEU 76 OK 21 96 - 22 - 4594/5774=3, 3227/2.9=2...(9) QD1 LEU 87 - HA LEU 76 OK 18 96 - 19 - 4.7/6158=2, 3227/2.9=2...(10) HB3 LEU 30 - HA LEU 76 OK 18 89 - 20 - 3227/2.9=2, 3234/2.9=2...(7) QD1 LEU 85 - HA LEU 76 OK 13 98 - 13 - 361/3.6=1, 3227/2.9=1...(5) Peak 3221 from cnoeabs.peaks (0.71, 3.94, 58.16 ppm; 3.01 A): 5 out of 5 assignments used, quality = 0.94: * QD2 LEU 76 + HA LEU 76 OK 76 100 - 76 - 4.0=43, 2.1/3244=12...(19) HG3 LYS 64 + HA LEU 76 OK 40 97 - 41 - 3235/2.9=5, 3228/2.9=4...(20) QD1 LEU 79 + HA LEU 76 OK 28 81 - 34 - 4.8/6158=5, 2.1/3218=3...(17) QG2 VAL 20 + HA LEU 76 OK 26 93 - 27 - 3228/2.9=3, 3235/2.9=3...(11) QG1 VAL 50 + HA LEU 76 OK 18 85 - 22 - 5763/5.0=3, 873/3.0=2...(10) Peak 3222 from cnoeabs.peaks (8.54, 1.95, 41.92 ppm; 3.77 A): 2 out of 3 assignments used, quality = 0.97: * H LEU 76 + HB2 LEU 76 OK 95 100 - 95 - 4.0=81, 3229/1.8=19...(18) H ASP 82 + HB2 LEU 76 OK 45 100 - 45 - 3229/1.8=9, 3215/2.9=7...(9) H GLY 61 - HB2 LEU 76 OK 30 97 - 31 - 3229/1.8=6, 3215/2.9=5...(6) Peak 3223 from cnoeabs.peaks (3.94, 1.95, 41.92 ppm; 3.74 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 76 + HB2 LEU 76 OK 100 100 - 100 - 2.9=100 HA LEU 23 + HB2 LEU 76 OK 65 98 - 66 - 3230/1.8=9, 3251/3.1=9...(24) HA ALA 72 + HB2 LEU 76 OK 46 81 - 57 - 4219/4.0=10, 5670/3.1=10...(18) HA LEU 73 - HB2 LEU 76 OK 23 63 - 37 - 4221/4.0=6, 4224/1.8=5...(17) HA ALA 71 - HB2 LEU 76 OK 21 68 - 30 - ~5662=4, 3251/3.1=3...(13) Peak 3224 from cnoeabs.peaks (1.95, 1.95, 41.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 76 + HB2 LEU 76 OK 100 100 - 100 Peak 3225 from cnoeabs.peaks (1.46, 1.95, 41.92 ppm; 3.05 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 76 + HB2 LEU 76 OK 100 100 - 100 - 1.8=100 HD2 LYS 64 + HB2 LEU 76 OK 51 99 - 51 - 2872/3.1=6, 2.9/3228=4...(26) HG3 LYS 78 - HB2 LEU 76 OK 40 99 - 41 - ~3322=3, 3218/2.9=3...(20) HB3 LYS 64 - HB2 LEU 76 OK 37 78 - 47 - 3.0/3228=4, 2842/3.1=3...(28) HG LEU 79 - HB2 LEU 76 OK 35 95 - 38 - 2.1/3228=3, 3246/3.1=3...(20) HG2 LYS 65 - HB2 LEU 76 OK 21 89 - 24 - 3253/3.1=2, 3.7/5457=2...(13) HG LEU 12 - HB2 LEU 76 OK 12 100 - 12 - 2.1/6172=1, 3218/2.9=1 HB3 ARG 45 - HB2 LEU 76 lone 5 98 - 5 - Peak 3226 from cnoeabs.peaks (1.81, 1.95, 41.92 ppm; 3.83 A): 1 out of 13 assignments used, quality = 1.00: * HG LEU 76 + HB2 LEU 76 OK 100 100 - 100 - 3.0=100 HD3 LYS 78 - HB2 LEU 76 OK 38 73 - 52 - 3352/1.8=5, 2.9/3225=5...(31) HB3 GLU 33 - HB2 LEU 76 OK 37 99 - 37 - 3233/1.8=3, 2052=3...(19) HB2 MET 48 - HB2 LEU 76 OK 35 93 - 38 - 1.8/2429=4, 3233/1.8=3...(18) HB2 LYS 65 - HB2 LEU 76 OK 35 83 - 43 - 3233/1.8=4, 3254/3.1=4...(20) HG2 GLU 51 - HB2 LEU 76 OK 27 100 - 27 - 3233/1.8=3, 3254/3.1=2...(14) HG3 GLU 51 - HB2 LEU 76 OK 27 100 - 27 - 3233/1.8=3, 3254/3.1=2...(14) HB2 GLU 37 - HB2 LEU 76 lone 10 99 - 10 - 3233/1.8=1 HB2 LYS 44 - HB2 LEU 76 lone 10 99 - 10 - HG3 GLU 37 - HB2 LEU 76 poor 9 83 - 11 - 2422=1 HB2 LYS 31 - HB2 LEU 76 poor 9 81 - 11 - 4.1/4607=1, 4603/3.1=1 HB2 ARG 28 - HB2 LEU 76 lone 4 81 - 5 - HB2 LYS 91 - HB2 LEU 76 lone 4 92 - 4 - Peak 3227 from cnoeabs.peaks (0.88, 1.95, 41.92 ppm; 3.49 A): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 76 + HB2 LEU 76 OK 100 100 - 100 - 3.1=100 QB ALA 75 + HB2 LEU 76 OK 65 96 - 68 - 4075/4.0=13, 5763/3.1=12...(21) HD3 LYS 26 - HB2 LEU 76 OK 38 89 - 43 - ~6174=6, 4525/2.9=5...(15) QD2 LEU 30 - HB2 LEU 76 OK 23 96 - 24 - 3234/1.8=3, 2.1/6172=3...(9) HB3 LEU 30 - HB2 LEU 76 OK 20 89 - 22 - 3234/1.8=2, 3.1/6172=2...(7) QD1 LEU 87 - HB2 LEU 76 OK 17 96 - 18 - ~6174=2, 3234/1.8=2...(8) QD1 LEU 85 - HB2 LEU 76 OK 14 98 - 14 - 3234/1.8=2, ~6174=2...(6) Peak 3228 from cnoeabs.peaks (0.71, 1.95, 41.92 ppm; 3.88 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 76 + HB2 LEU 76 OK 100 100 - 100 - 3.1=100 HG3 LYS 64 + HB2 LEU 76 OK 73 97 - 75 - 3235/1.8=10, 3221/2.9=8...(30) QG2 VAL 20 + HB2 LEU 76 OK 49 93 - 53 - 3235/1.8=6, 3221/2.9=5...(22) QD1 LEU 79 - HB2 LEU 76 OK 45 81 - 56 - 3235/1.8=6, 3221/2.9=6...(24) QG1 VAL 50 - HB2 LEU 76 OK 34 85 - 40 - 3235/1.8=4, 3221/2.9=4...(18) Peak 3229 from cnoeabs.peaks (8.54, 1.46, 41.92 ppm; 4.04 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 76 + HB3 LEU 76 OK 99 100 - 99 - 4.0=99 H ASP 82 + HB3 LEU 76 OK 46 100 - 46 - 3222/1.8=11, 3215/2.9=8...(9) H GLY 61 - HB3 LEU 76 OK 33 97 - 34 - 3222/1.8=7, 3215/2.9=6...(6) Peak 3230 from cnoeabs.peaks (3.94, 1.46, 41.92 ppm; 3.80 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 76 + HB3 LEU 76 OK 100 100 - 100 - 2.9=100 HA LEU 23 + HB3 LEU 76 OK 66 98 - 68 - 3223/1.8=10, 3251/3.1=9...(23) HA ALA 72 + HB3 LEU 76 OK 46 81 - 57 - 4219/4.0=11, 5670/3.1=10...(18) HA LEU 73 - HB3 LEU 76 OK 22 63 - 35 - 4221/4.0=6, 4224=6...(15) HA ALA 71 - HB3 LEU 76 OK 20 68 - 29 - ~5662=4, 3251/3.1=3...(13) Peak 3231 from cnoeabs.peaks (1.95, 1.46, 41.92 ppm; 3.05 A): 1 out of 15 assignments used, quality = 1.00: * HB2 LEU 76 + HB3 LEU 76 OK 100 100 - 100 - 1.8=100 HB3 GLU 22 - HB3 LEU 76 OK 40 100 - 41 - ~4451=4, 4454/3.1=3...(22) HB VAL 20 - HB3 LEU 76 OK 29 99 - 30 - 2.1/3235=3, 2.1/4396=2...(16) HD2 LYS 78 - HB3 LEU 76 OK 28 71 - 40 - 1.8/3352=4, 2.9/3322=4...(22) HB2 GLU 77 - HB3 LEU 76 OK 26 95 - 28 - 4.0/359=5, 3.0/5803=3...(11) QE MET 48 - HB3 LEU 76 OK 25 92 - 27 - 4864=6, 4869/3.1=5...(13) HB2 GLU 33 - HB3 LEU 76 OK 21 100 - 21 - 2047/3.0=2, 1.8/3233=2...(9) HB3 PRO 81 - HB3 LEU 76 OK 14 73 - 19 - 3.9/3229=3, ~6112=2...(5) HB VAL 47 - HB3 LEU 76 OK 12 92 - 13 - 2.1/6174=2, ~5789=2...(4) HB2 GLU 51 - HB3 LEU 76 OK 11 78 - 14 - 3.0/3233=1, 3.0/3233=1...(4) HG3 PRO 81 - HB3 LEU 76 OK 11 68 - 16 - ~6112=2, ~5769=1...(4) HG2 PRO 19 - HB3 LEU 76 OK 11 93 - 11 - 3245/3.1=1, ~6048=1 HB2 GLN 58 - HB3 LEU 76 lone 6 92 - 7 - ~5288=1 HG3 PRO 84 - HB3 LEU 76 lone 5 100 - 5 - HG3 GLU 49 - HB3 LEU 76 lone 4 85 - 4 - Peak 3232 from cnoeabs.peaks (1.46, 1.46, 41.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 76 + HB3 LEU 76 OK 100 100 - 100 Peak 3233 from cnoeabs.peaks (1.81, 1.46, 41.92 ppm; 4.09 A): 2 out of 13 assignments used, quality = 1.00: * HG LEU 76 + HB3 LEU 76 OK 100 100 - 100 - 3.0=100 HD3 LYS 78 + HB3 LEU 76 OK 46 73 - 62 - 1.8/3342=7, 3352=6...(31) HB2 LYS 65 - HB3 LEU 76 OK 43 83 - 53 - 3226/1.8=4, 4.4/4078=4...(24) HB2 MET 48 - HB3 LEU 76 OK 36 93 - 38 - 3226/1.8=4, 4.0/4864=4...(17) HB3 GLU 33 - HB3 LEU 76 OK 35 99 - 36 - 3226/1.8=4, 360/4.6=3...(18) HG2 GLU 51 - HB3 LEU 76 OK 27 100 - 27 - 3226/1.8=3, 3254/3.1=3...(13) HG3 GLU 51 - HB3 LEU 76 OK 27 100 - 27 - 3226/1.8=3, 3254/3.1=3...(13) HB2 GLU 37 - HB3 LEU 76 OK 11 99 - 11 - 3226/1.8=1 HB2 LYS 44 - HB3 LEU 76 OK 10 99 - 10 - 3226/1.8=1, 3254/3.1=1 HG3 GLU 37 - HB3 LEU 76 poor 9 83 - 10 - 3226/1.8=1 HB2 LYS 31 - HB3 LEU 76 poor 8 81 - 10 - 4603/3.1=1, 3226/1.8=1 HB2 ARG 28 - HB3 LEU 76 lone 5 81 - 6 - HB2 LYS 91 - HB3 LEU 76 lone 4 92 - 4 - Peak 3234 from cnoeabs.peaks (0.88, 1.46, 41.92 ppm; 3.65 A): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 76 + HB3 LEU 76 OK 100 100 - 100 - 3.1=100 QB ALA 75 + HB3 LEU 76 OK 70 96 - 73 - 4075/4.0=14, 5763/3.1=13...(21) HD3 LYS 26 - HB3 LEU 76 OK 39 89 - 44 - 4525/2.9=5, 3227/1.8=5...(15) QD2 LEU 30 - HB3 LEU 76 OK 23 96 - 24 - 3227/1.8=3, 3220/2.9=2...(9) HB3 LEU 30 - HB3 LEU 76 OK 20 89 - 23 - 3227/1.8=3, 3220/2.9=2...(9) QD1 LEU 87 - HB3 LEU 76 OK 17 96 - 18 - 3227/1.8=2, 3220/2.9=2...(8) QD1 LEU 85 - HB3 LEU 76 OK 13 98 - 13 - 3227/1.8=2, 3220/2.9=1...(6) Peak 3235 from cnoeabs.peaks (0.71, 1.46, 41.92 ppm; 3.74 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 76 + HB3 LEU 76 OK 100 100 - 100 - 3.1=100 HG3 LYS 64 + HB3 LEU 76 OK 71 97 - 73 - 2863=9, 3228/1.8=8...(31) QD1 LEU 79 + HB3 LEU 76 OK 47 81 - 59 - 3409=6, 2.1/3416=5...(25) QG2 VAL 20 - HB3 LEU 76 OK 44 93 - 47 - 3228/1.8=6, 3221/2.9=5...(21) QG1 VAL 50 - HB3 LEU 76 OK 28 85 - 33 - 3228/1.8=4, 3221/2.9=4...(13) Peak 3236 from cnoeabs.peaks (8.54, 1.81, 26.77 ppm; 3.81 A): 3 out of 3 assignments used, quality = 0.94: * H LEU 76 + HG LEU 76 OK 86 100 - 86 - 4.9=47, 3243/2.1=18...(15) H ASP 82 + HG LEU 76 OK 39 100 - 39 - 3250/2.1=9, 3243/2.1=8...(7) H GLY 61 + HG LEU 76 OK 28 97 - 29 - 3250/2.1=6, 3243/2.1=6...(6) Peak 3237 from cnoeabs.peaks (3.94, 1.81, 26.77 ppm; 4.01 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 76 + HG LEU 76 OK 100 100 - 100 - 3.6=100 HA LEU 23 + HG LEU 76 OK 68 98 - 70 - 3251/2.1=12, 3244/2.1=11...(18) HA ALA 72 + HG LEU 76 OK 51 81 - 63 - 5670/2.1=13, 5768/2.1=11...(16) HA ALA 71 - HG LEU 76 OK 23 68 - 34 - ~5662=6, 3251/2.1=4...(13) HA LEU 73 - HG LEU 76 OK 16 63 - 26 - 4221/4.9=5, 4224/3.0=4...(6) Peak 3238 from cnoeabs.peaks (1.95, 1.81, 26.77 ppm; 3.60 A): 2 out of 15 assignments used, quality = 1.00: * HB2 LEU 76 + HG LEU 76 OK 100 100 - 100 - 3.0=100 HB3 GLU 22 + HG LEU 76 OK 52 100 - 52 - ~4451=7, ~4465=7...(20) QE MET 48 - HG LEU 76 OK 35 92 - 38 - 4869/2.1=8, 2446=5...(13) HB VAL 20 - HG LEU 76 OK 34 99 - 35 - 2.1/3242=5, 1495/2.1=3...(17) HB2 GLU 33 - HG LEU 76 OK 31 100 - 31 - 2047=4, 3245/2.1=3...(16) HB2 GLU 77 - HG LEU 76 OK 30 95 - 32 - 4.0/360=5, 4.1/5780=3...(14) HD2 LYS 78 - HG LEU 76 OK 29 71 - 41 - 3342/3.0=3, 2.9/3239=3...(23) HB2 GLU 51 - HG LEU 76 OK 16 78 - 20 - ~5062=2, 1.8/2518=2...(11) HB3 PRO 81 - HG LEU 76 OK 16 73 - 22 - 3.9/3236=5, ~5769=2...(8) HG2 PRO 19 - HG LEU 76 OK 15 93 - 16 - 3245/2.1=2, ~6048=2...(8) HG3 PRO 81 - HG LEU 76 OK 11 68 - 16 - ~5769=3, 4108/4.9=2...(5) HB VAL 47 - HG LEU 76 OK 11 92 - 12 - ~6174=2, ~6173=1, 3231/3.0=1 HB2 GLN 58 - HG LEU 76 poor 10 92 - 10 - ~5288=3, 2.9/6044=2, 3252/2.1=1 HG3 PRO 84 - HG LEU 76 lone 6 100 - 6 - HG3 GLU 49 - HG LEU 76 lone 5 85 - 6 - Peak 3239 from cnoeabs.peaks (1.46, 1.81, 26.77 ppm; 4.26 A): 5 out of 8 assignments used, quality = 1.00: * HB3 LEU 76 + HG LEU 76 OK 100 100 - 100 - 3.0=100 HD2 LYS 64 + HG LEU 76 OK 72 99 - 73 - 2872/2.1=13, ~2882=9...(27) HG3 LYS 78 + HG LEU 76 OK 59 99 - 59 - 3246/2.1=6, 3225/3.0=6...(28) HG LEU 79 + HG LEU 76 OK 57 95 - 61 - 3.0/6171=7, 2.1/3242=6...(21) HB3 LYS 64 + HG LEU 76 OK 53 78 - 68 - 3.0/3242=9, ~2832=8...(27) HG2 LYS 65 - HG LEU 76 OK 40 89 - 45 - 1.8/6171=6, ~5773=5...(18) HG LEU 12 - HG LEU 76 OK 17 100 - 17 - 3253/2.1=2, 3218/3.6=2...(8) HB3 ARG 45 - HG LEU 76 lone 8 98 - 8 - Peak 3240 from cnoeabs.peaks (1.81, 1.81, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 76 + HG LEU 76 OK 100 100 - 100 Peak 3241 from cnoeabs.peaks (0.88, 1.81, 26.77 ppm; 3.44 A): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 76 + HG LEU 76 OK 100 100 - 100 - 2.1=100 QB ALA 75 + HG LEU 76 OK 60 96 - 62 - 5763/2.1=15, 3.6/3236=11...(15) HD3 LYS 26 - HG LEU 76 OK 34 89 - 39 - 3255/2.1=5, ~6174=4...(13) QD2 LEU 30 - HG LEU 76 OK 19 96 - 20 - 3255/2.1=3, 3227/3.0=2...(5) HB3 LEU 30 - HG LEU 76 OK 17 89 - 19 - 3255/2.1=2, 3227/3.0=2...(4) QD1 LEU 87 - HG LEU 76 OK 14 96 - 15 - 3255/2.1=2, 3227/3.0=2...(7) QD1 LEU 85 - HG LEU 76 OK 11 98 - 11 - 3255/2.1=2, 3227/3.0=1...(5) Peak 3242 from cnoeabs.peaks (0.71, 1.81, 26.77 ppm; 3.52 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 76 + HG LEU 76 OK 100 100 - 100 - 2.1=100 HG3 LYS 64 + HG LEU 76 OK 61 97 - 63 - 3249/2.1=8, ~2852=7...(28) QD1 LEU 79 - HG LEU 76 OK 38 81 - 47 - 3249/2.1=5, 3.1/6171=5...(21) QG2 VAL 20 - HG LEU 76 OK 34 93 - 36 - 3249/2.1=5, 3228/3.0=4...(16) QG1 VAL 50 - HG LEU 76 OK 27 85 - 32 - 3249/2.1=4, ~2499=4...(14) Peak 3243 from cnoeabs.peaks (8.54, 0.88, 26.00 ppm; 3.94 A): 2 out of 3 assignments used, quality = 0.94: * H LEU 76 + QD1 LEU 76 OK 90 100 - 90 - 4.8=56, 3236/2.1=21...(14) H ASP 82 + QD1 LEU 76 OK 41 100 - 42 - 3236/2.1=9, 3250/2.1=9...(7) H GLY 61 - QD1 LEU 76 OK 29 97 - 30 - 3250/2.1=7, 3236/2.1=7...(6) Peak 3244 from cnoeabs.peaks (3.94, 0.88, 26.00 ppm; 3.18 A): 3 out of 5 assignments used, quality = 0.93: * HA LEU 76 + QD1 LEU 76 OK 79 100 - 79 - 4.0=51, 3251/2.1=15...(14) HA LEU 23 + QD1 LEU 76 OK 47 98 - 48 - 3251/2.1=9, 3237/2.1=6...(16) HA ALA 72 + QD1 LEU 76 OK 41 81 - 51 - 5768=10, 5670/2.1=9...(14) HA ALA 71 - QD1 LEU 76 OK 17 68 - 25 - ~5662=4, 3251/2.1=3...(10) HA LEU 73 - QD1 LEU 76 OK 11 63 - 17 - 4221/4.8=3, 4.5/5673=3...(6) Peak 3245 from cnoeabs.peaks (1.95, 0.88, 26.00 ppm; 2.98 A): 2 out of 15 assignments used, quality = 0.96: * HB2 LEU 76 + QD1 LEU 76 OK 94 100 - 94 - 3.1=91, 2.9/3244=9...(6) HB3 GLU 22 + QD1 LEU 76 OK 44 100 - 45 - 1.8/4451=8, 3.0/4461=5...(15) HB VAL 20 - QD1 LEU 76 OK 25 99 - 25 - 2.1/3249=4, 1495/2.1=3...(12) HB2 GLU 77 - QD1 LEU 76 OK 24 95 - 26 - 4.0/361=4, 4.1/5781=3...(11) QE MET 48 - QD1 LEU 76 OK 22 92 - 24 - 4869/2.1=6, 4864/3.1=3...(7) HB2 GLU 33 - QD1 LEU 76 OK 20 100 - 20 - 1.8/3247=3, 2047/2.1=3...(6) HD2 LYS 78 - QD1 LEU 76 OK 19 71 - 27 - 1.8/3247=3, 2.9/3246=3...(12) HG2 PRO 19 - QD1 LEU 76 OK 18 93 - 20 - 3.8/4365=5, 2.3/6048=3...(5) HB3 PRO 81 - QD1 LEU 76 OK 11 73 - 14 - 3.9/3243=3, 4106/4.8=1, ~5769=1 HB2 GLU 51 - QD1 LEU 76 OK 10 78 - 13 - 3.0/3247=1, 3.0/3247=1...(5) HG3 PRO 81 - QD1 LEU 76 poor 8 68 - 11 - ~5769=2, 4108/4.8=1 HB VAL 47 - QD1 LEU 76 lone 6 92 - 7 - HB2 GLN 58 - QD1 LEU 76 lone 6 92 - 7 - ~5288=2 HG3 PRO 84 - QD1 LEU 76 lone 5 100 - 5 - HG3 GLU 49 - QD1 LEU 76 lone 3 85 - 3 - Peak 3246 from cnoeabs.peaks (1.46, 0.88, 26.00 ppm; 3.27 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 76 + QD1 LEU 76 OK 100 100 - 100 - 3.1=100 HD2 LYS 64 + QD1 LEU 76 OK 49 99 - 50 - 2872/2.1=8, 2.9/3249=6...(21) HG LEU 79 - QD1 LEU 76 OK 41 95 - 43 - 4.3/6048=5, 2.1/3249=5...(22) HG3 LYS 78 - QD1 LEU 76 OK 38 99 - 38 - 3253/2.1=4, 3225/3.1=4...(16) HB3 LYS 64 - QD1 LEU 76 OK 35 78 - 45 - 3.0/3249=6, ~2832=5...(22) HG2 LYS 65 - QD1 LEU 76 OK 22 89 - 25 - 3253/2.1=3, ~5773=3...(8) HG LEU 12 - QD1 LEU 76 OK 10 100 - 10 - 3253/2.1=1, 3225/3.1=1 HB3 ARG 45 - QD1 LEU 76 lone 4 98 - 4 - Peak 3247 from cnoeabs.peaks (1.81, 0.88, 26.00 ppm; 3.12 A): 1 out of 13 assignments used, quality = 1.00: * HG LEU 76 + QD1 LEU 76 OK 100 100 - 100 - 2.1=100 HB2 LYS 65 - QD1 LEU 76 OK 23 83 - 27 - 3254/2.1=3, 4.4/4080=2...(13) HD3 LYS 78 - QD1 LEU 76 OK 22 73 - 31 - 2.9/3246=3, 3254/2.1=3...(15) HB2 MET 48 - QD1 LEU 76 OK 20 93 - 22 - 3254/2.1=3, ~5771=2...(10) HB3 GLU 33 - QD1 LEU 76 OK 20 99 - 20 - 3254/2.1=3, 1.8/3245=2...(9) HG2 GLU 51 - QD1 LEU 76 OK 15 100 - 15 - 3254/2.1=2, 3226/3.1=1...(4) HG3 GLU 51 - QD1 LEU 76 OK 15 100 - 15 - 3254/2.1=2, 3226/3.1=1...(4) HB2 GLU 37 - QD1 LEU 76 lone 5 99 - 5 - HB2 LYS 44 - QD1 LEU 76 lone 5 99 - 5 - HB2 LYS 31 - QD1 LEU 76 lone 5 81 - 6 - HG3 GLU 37 - QD1 LEU 76 lone 4 83 - 5 - HB2 ARG 28 - QD1 LEU 76 lone 4 81 - 5 - 4.0/4557=1 HB2 LYS 91 - QD1 LEU 76 lone 2 92 - 2 - Peak 3248 from cnoeabs.peaks (0.88, 0.88, 26.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 76 + QD1 LEU 76 OK 100 100 - 100 Peak 3249 from cnoeabs.peaks (0.71, 0.88, 26.00 ppm; 2.90 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 76 + QD1 LEU 76 OK 100 100 - 100 - 2.1=100 HG3 LYS 64 - QD1 LEU 76 OK 44 97 - 46 - 3242/2.1=5, ~2852=4...(22) QD1 LEU 79 - QD1 LEU 76 OK 29 81 - 36 - 4.0/6048=4, 2.1/3246=3...(18) QG2 VAL 20 - QD1 LEU 76 OK 24 93 - 26 - 3242/2.1=3, 3228/3.1=3...(12) QG1 VAL 50 - QD1 LEU 76 OK 20 85 - 23 - 3242/2.1=2, ~2499=2...(11) Peak 3250 from cnoeabs.peaks (8.54, 0.71, 23.37 ppm; 3.91 A): 2 out of 3 assignments used, quality = 0.95: * H LEU 76 + QD2 LEU 76 OK 91 100 - 91 - 4.8=55, 3236/2.1=20...(15) H ASP 82 + QD2 LEU 76 OK 43 100 - 43 - 3236/2.1=9, 3243/2.1=9...(9) H GLY 61 - QD2 LEU 76 OK 31 97 - 32 - 3236/2.1=7, 3243/2.1=6...(7) Peak 3251 from cnoeabs.peaks (3.94, 0.71, 23.37 ppm; 2.84 A): 4 out of 5 assignments used, quality = 0.91: * HA LEU 76 + QD2 LEU 76 OK 70 100 - 70 - 4.0=36, 3244/2.1=10...(18) HA LEU 23 + QD2 LEU 76 OK 45 98 - 46 - 3.6/5785=7, 3.0/5782=7...(14) HA ALA 72 + QD2 LEU 76 OK 35 81 - 43 - 5670=7, 5768/2.1=7...(11) HA ALA 71 + QD2 LEU 76 OK 16 68 - 23 - 2.1/5662=5, 3.6/5782=4...(8) HA LEU 73 - QD2 LEU 76 poor 10 63 - 15 - 4.5/5674=3, 4221/4.8=2...(6) Peak 3252 from cnoeabs.peaks (1.95, 0.71, 23.37 ppm; 3.43 A): 2 out of 15 assignments used, quality = 1.00: * HB2 LEU 76 + QD2 LEU 76 OK 100 100 - 100 - 3.1=100 HB3 GLU 22 + QD2 LEU 76 OK 59 100 - 59 - 3.0/4465=11, 3.0/4462=10...(20) QE MET 48 - QD2 LEU 76 OK 40 92 - 44 - 4869=11, 3.3/5771=5...(13) HB VAL 20 - QD2 LEU 76 OK 38 99 - 38 - 1495=4, 3.0/1490=3...(19) HB2 GLU 77 - QD2 LEU 76 OK 35 95 - 38 - 4.1/5786=6, 4.0/362=5...(15) HB2 GLU 33 - QD2 LEU 76 OK 29 100 - 29 - 1.8/3254=3, 2047/2.1=3...(11) HD2 LYS 78 - QD2 LEU 76 OK 27 71 - 38 - 1.8/3254=4, 2.9/3253=3...(18) HG2 PRO 19 - QD2 LEU 76 OK 19 93 - 20 - 3245/2.1=2, ~6048=2...(9) HB2 GLU 51 - QD2 LEU 76 OK 18 78 - 23 - 3.9/219=3, 4.6/5113=2...(7) HB3 PRO 81 - QD2 LEU 76 OK 16 73 - 22 - 3.9/3250=5, 3.0/5769=4...(7) HB2 GLN 58 - QD2 LEU 76 OK 13 92 - 14 - 1.8/5288=4, 4.0/5267=2 HG3 PRO 81 - QD2 LEU 76 OK 12 68 - 18 - 2.3/5769=4, 4108/4.8=2 HB VAL 47 - QD2 LEU 76 OK 11 92 - 12 - ~6174=1, ~6173=1 HG3 PRO 84 - QD2 LEU 76 lone 7 100 - 7 - HG3 GLU 49 - QD2 LEU 76 lone 7 85 - 8 - Peak 3253 from cnoeabs.peaks (1.46, 0.71, 23.37 ppm; 3.35 A): 4 out of 8 assignments used, quality = 1.00: * HB3 LEU 76 + QD2 LEU 76 OK 100 100 - 100 - 3.1=100 HD2 LYS 64 + QD2 LEU 76 OK 64 99 - 64 - 2872=10, 1.8/2882=9...(26) HB3 LYS 64 + QD2 LEU 76 OK 48 78 - 62 - 3.0/2852=8, 1.8/2832=7...(29) HG LEU 79 + QD2 LEU 76 OK 46 95 - 48 - 3.0/5773=6, 3246/2.1=5...(22) HG3 LYS 78 - QD2 LEU 76 OK 42 99 - 42 - 3246/2.1=4, 4.9/5786=4...(20) HG2 LYS 65 - QD2 LEU 76 OK 32 89 - 36 - 1.8/5773=5, 5.0/5784=3...(12) HG LEU 12 - QD2 LEU 76 OK 14 100 - 14 - 3225/3.1=1, 3246/2.1=1...(4) HB3 ARG 45 - QD2 LEU 76 lone 7 98 - 7 - Peak 3254 from cnoeabs.peaks (1.81, 0.71, 23.37 ppm; 3.04 A): 1 out of 13 assignments used, quality = 1.00: * HG LEU 76 + QD2 LEU 76 OK 100 100 - 100 - 2.1=100 HB2 LYS 65 - QD2 LEU 76 OK 27 83 - 33 - 3.8/5784=4, 3.0/5773=3...(14) HB2 MET 48 - QD2 LEU 76 OK 23 93 - 25 - 3.0/5771=4, 4.0/4869=4...(8) HD3 LYS 78 - QD2 LEU 76 OK 23 73 - 31 - 3247/2.1=3, 2.9/3253=3...(14) HB3 GLU 33 - QD2 LEU 76 OK 21 99 - 21 - 3247/2.1=3, 1.8/3252=2...(10) HG2 GLU 51 - QD2 LEU 76 OK 17 100 - 17 - 3247/2.1=2, 4.9/219=1...(6) HG3 GLU 51 - QD2 LEU 76 OK 17 100 - 17 - 3247/2.1=2, 4.9/219=1...(6) HB2 LYS 44 - QD2 LEU 76 lone 7 99 - 7 - HB2 GLU 37 - QD2 LEU 76 lone 6 99 - 6 - HG3 GLU 37 - QD2 LEU 76 lone 5 83 - 6 - HB2 LYS 31 - QD2 LEU 76 lone 5 81 - 7 - HB2 ARG 28 - QD2 LEU 76 lone 4 81 - 5 - HB2 LYS 91 - QD2 LEU 76 lone 3 92 - 3 - Peak 3255 from cnoeabs.peaks (0.88, 0.71, 23.37 ppm; 2.67 A): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 76 + QD2 LEU 76 OK 100 100 - 100 - 2.1=100 QB ALA 75 + QD2 LEU 76 OK 48 96 - 50 - 5763=12, 3.6/3250=6...(16) HD3 LYS 26 - QD2 LEU 76 OK 28 89 - 31 - 3.0/6114=4, 3.0/5771=4...(12) QD2 LEU 30 - QD2 LEU 76 OK 14 96 - 15 - 3241/2.1=1, 4594/5787=1...(5) HB3 LEU 30 - QD2 LEU 76 OK 12 89 - 13 - 3241/2.1=1, 3227/3.1=1 QD1 LEU 87 - QD2 LEU 76 lone 10 96 - 10 - 3241/2.1=1 QD1 LEU 85 - QD2 LEU 76 lone 8 98 - 8 - Peak 3256 from cnoeabs.peaks (0.71, 0.71, 23.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 76 + QD2 LEU 76 OK 100 100 - 100 Peak 3257 from cnoeabs.peaks (8.26, 3.87, 58.49 ppm; 3.43 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 77 + HA GLU 77 OK 100 100 - 100 - 2.9=100 H VAL 66 - HA GLU 77 OK 16 100 - 16 - 363/3.6=3, 4.6/5790=3...(6) H ASP 88 - HA GLU 77 OK 15 95 - 15 - 363/3.6=4, 3269/3.0=3...(5) H ALA 86 - HA GLU 77 OK 10 95 - 11 - 363/3.6=3, 3269/3.0=2...(5) H LYS 64 - HA GLU 77 lone 5 63 - 9 - 4.6/5790=3, ~4169=1 H GLY 16 - HA GLU 77 lone 2 65 - 3 - Peak 3258 from cnoeabs.peaks (3.87, 3.87, 58.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 77 + HA GLU 77 OK 100 100 - 100 Peak 3259 from cnoeabs.peaks (1.96, 3.87, 58.49 ppm; 3.15 A): 1 out of 15 assignments used, quality = 1.00: * HB2 GLU 77 + HA GLU 77 OK 100 100 - 100 - 3.0=100 HB3 GLU 22 - HA GLU 77 OK 43 90 - 48 - 3264=7, 1.8/1555=6...(21) HB2 LEU 76 - HA GLU 77 OK 36 95 - 38 - 4077/2.9=7, ~359=4...(13) HB2 GLU 33 - HA GLU 77 OK 30 90 - 33 - 2049/3.0=5, 3.0/3261=4...(13) HB VAL 20 - HA GLU 77 OK 18 81 - 23 - 2.1/4404=6, 3.0/4390=2...(9) HB3 PRO 81 - HA GLU 77 OK 16 97 - 17 - 2.3/6049=9, 365/3.6=2, 876/2.9=2 HG2 PRO 19 - HA GLU 77 OK 14 100 - 13 - 1.8/4369=2, 365/3.6=1 HB2 PRO 19 - HA GLU 77 OK 13 81 - 17 - 2.3/4369=2, 4.9/4390=2...(5) HB3 PRO 19 - HA GLU 77 OK 11 71 - 16 - 2.3/4369=2, 4.9/4390=2...(4) HE3 LYS 68 - HA GLU 77 lone 5 63 - 8 - 1.8/3261=2 HG3 PRO 84 - HA GLU 77 lone 4 97 - 4 - HB2 GLN 58 - HA GLU 77 lone 4 100 - 4 - HB2 GLU 51 - HA GLU 77 lone 4 98 - 4 - QE MET 48 - HA GLU 77 lone 2 63 - 3 - HB VAL 47 - HA GLU 77 lone 1 63 - 2 - Peak 3260 from cnoeabs.peaks (2.07, 3.87, 58.49 ppm; 3.33 A): 2 out of 8 assignments used, quality = 1.00: * HB3 GLU 77 + HA GLU 77 OK 100 100 - 100 - 3.0=100 HG2 GLU 22 + HA GLU 77 OK 45 100 - 45 - 1567=9, 1.8/1573=7...(20) HB2 MET 21 - HA GLU 77 OK 41 98 - 41 - 1518/3.7=6, 2.9/3262=4...(22) HB3 GLU 25 - HA GLU 77 OK 37 63 - 59 - 1.8/4165=10, 3270=8...(27) HG3 GLU 33 - HA GLU 77 OK 36 99 - 37 - 1.8/3261=6, 2066/3.7=4...(16) HA ALA 75 - HA GLU 77 OK 29 92 - 31 - 4235/3.6=7, 1093/2.9=5...(12) QE MET 21 - HA GLU 77 OK 22 97 - 23 - 3.4/3262=4, 1546/3.7=4...(11) HG3 GLN 55 - HA GLU 77 lone 6 60 - 10 - 3.8/6049=4, 5193/3.6=3 Peak 3261 from cnoeabs.peaks (2.22, 3.87, 58.49 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.97: * HG2 GLU 77 + HA GLU 77 OK 93 100 - 93 - 3.7=81, 1.8/3282=17...(16) HG2 GLU 25 + HA GLU 77 OK 62 100 - 63 - 1.8/3262=10, 3276=10...(23) HG2 GLU 33 - HA GLU 77 OK 37 100 - 37 - 2061/3.0=6, 878/2.9=4...(15) HE2 LYS 68 - HA GLU 77 OK 11 99 - 11 - 878/2.9=2, 367/3.6=1...(4) Peak 3262 from cnoeabs.peaks (2.46, 3.87, 58.49 ppm; 3.86 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 77 + HA GLU 77 OK 100 100 - 100 - 3.7=100 HG3 GLU 25 + HA GLU 77 OK 66 95 - 70 - 1.8/3261=13, 879/2.9=10...(24) HG3 MET 21 - HA GLU 77 OK 40 100 - 40 - 879/2.9=6, 6073/3.0=5...(15) HB3 ASP 43 - HA GLU 77 lone 2 81 - 2 - Peak 3263 from cnoeabs.peaks (8.26, 1.96, 29.43 ppm; 3.37 A): 5 out of 12 assignments used, quality = 0.92: * H GLU 77 + HB2 GLU 77 OK 82 100 - 82 - 4.0=60, 3269/1.8=17...(12) H GLU 77 + HB3 GLU 22 OK 32 86 - 38 - 876=6, 875/3.0=5...(15) H VAL 66 + HB2 GLU 77 OK 16 100 - 16 - 3269/1.8=3, 363/4.1=3...(6) H ASP 88 + HB2 GLU 77 OK 16 95 - 17 - 3269/1.8=3, 363/4.1=3...(5) H ALA 86 + HB2 GLU 77 OK 11 95 - 12 - 363/4.1=2, 3269/1.8=2...(5) H ASP 88 - HB3 GLU 22 poor 9 77 - 12 - 583/3.0=2, 823/1.8=2...(5) H VAL 66 - HB3 GLU 22 poor 9 86 - 10 - 823/1.8=3, ~2999=1 H ALA 86 - HB3 GLU 22 lone 5 77 - 6 - H LYS 64 - HB2 GLU 77 lone 3 63 - 5 - H GLY 16 - HB2 GLU 77 lone 3 65 - 4 - H LYS 64 - HB3 GLU 22 lone 2 47 - 5 - H GLY 16 - HB3 GLU 22 lone 2 49 - 3 - Peak 3264 from cnoeabs.peaks (3.87, 1.96, 29.43 ppm; 3.23 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 77 + HB2 GLU 77 OK 100 100 - 100 - 3.0=100 HA GLU 22 + HB3 GLU 22 OK 66 66 - 100 - 3.0=100 HA GLU 77 - HB3 GLU 22 OK 41 86 - 48 - 3259=7, 1555/1.8=5...(24) HA GLU 22 - HB2 GLU 77 OK 39 85 - 46 - 3270/1.8=6, 1551=4...(23) HA ALA 69 - HB2 GLU 77 OK 14 100 - 14 - 3270/1.8=2, 5577=2...(7) HA ALA 69 - HB3 GLU 22 OK 12 85 - 14 - 2.1/5573=2, 1555/1.8=2...(4) HA3 GLY 29 - HB2 GLU 77 lone 7 100 - 6 - HA3 GLY 29 - HB3 GLU 22 lone 3 86 - 4 - Peak 3265 from cnoeabs.peaks (1.96, 1.96, 29.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 77 + HB2 GLU 77 OK 100 100 - 100 HB3 GLU 22 + HB3 GLU 22 OK 72 72 - 100 Peak 3266 from cnoeabs.peaks (2.07, 1.96, 29.43 ppm; 2.51 A): 2 out of 16 assignments used, quality = 1.00: * HB3 GLU 77 + HB2 GLU 77 OK 100 100 - 100 - 1.8=100 HG2 GLU 22 + HB3 GLU 22 OK 62 86 - 72 - 3.0=58, 1.8/1565=9...(10) HB2 MET 21 - HB2 GLU 77 OK 33 98 - 33 - 1518/3.0=4, 3.0/4230=3...(18) HB3 GLU 77 - HB3 GLU 22 OK 29 86 - 34 - 3271=5, 1558/1.8=3...(13) HG2 GLU 22 - HB2 GLU 77 OK 27 100 - 27 - 1569=3, 1567/3.0=3...(12) HG3 GLU 33 - HB2 GLU 77 OK 27 99 - 27 - 2064=4, 2066/3.0=3...(11) HB3 GLU 25 - HB2 GLU 77 OK 25 63 - 40 - 3271=4, 3.0/3267=3...(24) HB2 MET 21 - HB3 GLU 22 OK 16 81 - 20 - 3842/4.0=3, 1552/3.0=2...(10) QE MET 21 - HB2 GLU 77 OK 15 97 - 16 - 3.4/3268=2, 1546/3.0=2...(4) HA ALA 75 - HB2 GLU 77 OK 15 92 - 16 - 4235/4.1=3, 1093/4.0=2...(5) HA ALA 75 - HB3 GLU 22 OK 12 74 - 16 - 1558/1.8=2, ~4451=2...(7) HG3 GLU 33 - HB3 GLU 22 OK 12 83 - 14 - 2064=2, 1558/1.8=2...(5) HB3 GLU 25 - HB3 GLU 22 poor 9 47 - 20 - ~4165=3, ~4144=2, 3271=2...(12) QE MET 21 - HB3 GLU 22 poor 8 79 - 10 - 3846/4.0=1, 1552/3.0=1...(5) HG3 GLN 55 - HB2 GLU 77 lone 2 60 - 3 - 5193/4.1=1 HG3 GLN 55 - HB3 GLU 22 lone 1 45 - 2 - Peak 3267 from cnoeabs.peaks (2.22, 1.96, 29.43 ppm; 3.14 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 77 + HB2 GLU 77 OK 100 100 - 100 - 3.0=100 HG2 GLU 25 + HB2 GLU 77 OK 59 100 - 59 - 3261/3.0=7, 3273/1.8=6...(29) HG2 GLU 33 - HB2 GLU 77 OK 41 100 - 41 - 2061/1.8=7, 2058=6...(17) HG2 GLU 77 - HB3 GLU 22 OK 34 86 - 40 - 3277=5, 1.8/3268=4...(16) HG2 GLU 25 - HB3 GLU 22 OK 27 85 - 32 - ~1559=3, 1.8/3268=3...(15) HG2 GLU 33 - HB3 GLU 22 OK 20 86 - 24 - 2058=4, 1.8/2064=3...(7) HE2 LYS 68 - HB2 GLU 77 OK 14 99 - 14 - 3273/1.8=1, 3261/3.0=1 HE2 LYS 68 - HB3 GLU 22 lone 4 83 - 5 - Peak 3268 from cnoeabs.peaks (2.46, 1.96, 29.43 ppm; 3.48 A): 3 out of 8 assignments used, quality = 1.00: * HG3 GLU 77 + HB2 GLU 77 OK 100 100 - 100 - 3.0=100 HG3 GLU 25 + HB2 GLU 77 OK 63 95 - 67 - 1.8/3267=8, 3262/3.0=8...(31) HG3 MET 21 + HB2 GLU 77 OK 49 100 - 49 - 4.0/4230=5, 3274/1.8=5...(22) HG3 GLU 77 - HB3 GLU 22 OK 41 86 - 48 - 3283=5, 3282/3.0=5...(25) HG3 GLU 25 - HB3 GLU 22 OK 30 77 - 40 - ~1559=4, ~4165=4...(19) HG3 MET 21 - HB3 GLU 22 OK 25 86 - 29 - 3845/4.0=7, 6073=3...(9) HB3 ASP 43 - HB2 GLU 77 lone 2 81 - 2 - HB3 ASP 43 - HB3 GLU 22 lone 1 63 - 1 - Peak 3269 from cnoeabs.peaks (8.26, 2.07, 29.43 ppm; 3.46 A): 5 out of 12 assignments used, quality = 0.93: * H GLU 77 + HB3 GLU 77 OK 84 100 - 84 - 4.0=64, 3263/1.8=16...(12) H GLU 77 + HB3 GLU 25 OK 28 62 - 44 - 879/3.0=8, 878/3.0=8...(14) H ASP 88 + HB3 GLU 77 OK 16 95 - 17 - 363/4.1=3, 3263/1.8=3...(5) H VAL 66 + HB3 GLU 77 OK 16 100 - 16 - 3263/1.8=3, 363/4.1=3...(5) H ALA 86 + HB3 GLU 77 OK 11 95 - 12 - 363/4.1=3, 3263/1.8=2...(5) H LYS 64 - HB3 GLU 77 lone 3 63 - 5 - H GLY 16 - HB3 GLU 77 lone 2 65 - 4 - H ASP 88 - HB3 GLU 25 lone 2 54 - 3 - H VAL 66 - HB3 GLU 25 lone 2 62 - 3 - H ALA 86 - HB3 GLU 25 lone 1 54 - 2 - H GLY 16 - HB3 GLU 25 lone 1 34 - 3 - H LYS 64 - HB3 GLU 25 lone 0 32 - 1 - Peak 3270 from cnoeabs.peaks (3.87, 2.07, 29.43 ppm; 3.41 A): 1 out of 8 assignments used, quality = 1.00: * HA GLU 77 + HB3 GLU 77 OK 100 100 - 100 - 3.0=100 HA GLU 22 - HB3 GLU 77 OK 44 85 - 52 - 1552=7, 3264/1.8=5...(23) HA GLU 77 - HB3 GLU 25 OK 36 62 - 59 - 4165/1.8=9, 3261/3.0=8...(27) HA GLU 22 - HB3 GLU 25 OK 18 46 - 38 - 4165/1.8=8, 4163/4.1=7...(14) HA ALA 69 - HB3 GLU 77 OK 11 100 - 11 - 3264/1.8=2, 3276/3.0=1...(5) HA3 GLY 29 - HB3 GLU 77 lone 6 100 - 6 - HA ALA 69 - HB3 GLU 25 lone 2 62 - 4 - HA3 GLY 29 - HB3 GLU 25 lone 1 62 - 2 - Peak 3271 from cnoeabs.peaks (1.96, 2.07, 29.43 ppm; 2.52 A): 1 out of 30 assignments used, quality = 1.00: * HB2 GLU 77 + HB3 GLU 77 OK 100 100 - 100 - 1.8=100 HB3 GLU 22 - HB3 GLU 77 OK 31 90 - 34 - 1564=4, 1.8/1558=3...(13) HB2 GLU 33 - HB3 GLU 77 OK 29 90 - 32 - 2049=6, 1.8/2055=4...(11) HB2 GLU 77 - HB3 GLU 25 OK 25 62 - 40 - 3266=3, 3267/3.0=3...(25) HB2 LEU 76 - HB3 GLU 77 OK 19 95 - 20 - 4.6/3269=4, 3259/3.0=2...(8) HB3 GLU 22 - HB3 GLU 25 OK 11 51 - 21 - ~4165=3, 3.0/4166=2...(12) HB VAL 20 - HB3 GLU 77 OK 10 81 - 13 - ~4395=1, ~4399=1...(5) HB3 PRO 81 - HB3 GLU 77 lone 9 97 - 9 - ~6049=2, ~5918=2 HG2 PRO 19 - HB3 GLU 77 lone 7 100 - 7 - HB2 PRO 19 - HB3 GLU 77 lone 6 81 - 8 - HB3 PRO 19 - HB3 GLU 77 lone 5 71 - 8 - HB2 PRO 19 - HB3 GLU 25 poor 5 43 - 11 - ~1645=1 HG2 PRO 19 - HB3 GLU 25 lone 4 62 - 7 - HB3 PRO 19 - HB3 GLU 25 poor 4 37 - 11 - ~1645=1 HE3 LYS 68 - HB3 GLU 77 lone 3 63 - 5 - HE3 LYS 68 - HB3 GLU 25 lone 3 32 - 8 - ~1648=2, ~3102=1, 3111/3.0=1 HG3 PRO 84 - HB3 GLU 77 lone 3 97 - 3 - HB2 GLU 51 - HB3 GLU 77 lone 2 98 - 2 - HB2 LEU 76 - HB3 GLU 25 lone 2 54 - 4 - 4.6/3269=1 HB2 GLN 58 - HB3 GLU 77 lone 2 100 - 2 - HB2 GLU 33 - HB3 GLU 25 lone 2 51 - 3 - QE MET 48 - HB3 GLU 77 lone 1 63 - 2 - HB VAL 20 - HB3 GLU 25 lone 1 43 - 3 - HB VAL 47 - HB3 GLU 77 lone 1 63 - 1 - HG3 PRO 84 - HB3 GLU 25 lone 1 58 - 1 - HB3 PRO 81 - HB3 GLU 25 lone 1 57 - 1 - HB2 GLN 58 - HB3 GLU 25 lone 0 62 - 1 - HB2 GLU 51 - HB3 GLU 25 lone 0 58 - 1 - QE MET 48 - HB3 GLU 25 lone 0 32 - 0 - HB VAL 47 - HB3 GLU 25 lone 0 32 - 0 - Peak 3272 from cnoeabs.peaks (2.07, 2.07, 29.43 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 77 + HB3 GLU 77 OK 100 100 - 100 HB3 GLU 25 - HB3 GLU 25 OK 32 32 - 100 Peak 3273 from cnoeabs.peaks (2.22, 2.07, 29.43 ppm; 3.14 A): 3 out of 8 assignments used, quality = 1.00: * HG2 GLU 77 + HB3 GLU 77 OK 100 100 - 100 - 3.0=100 HG2 GLU 25 + HB3 GLU 25 OK 62 62 - 100 - 3.0=100 HG2 GLU 25 + HB3 GLU 77 OK 60 100 - 60 - 3267/1.8=7, 3261/3.0=7...(30) HG2 GLU 33 - HB3 GLU 77 OK 45 100 - 45 - 2061=8, 3.0/2049=5...(20) HG2 GLU 77 - HB3 GLU 25 OK 38 62 - 62 - 1648/1.8=11, 1642/3.0=9...(29) HE2 LYS 68 - HB3 GLU 77 OK 12 99 - 12 - 3267/1.8=2, 3261/3.0=1 HE2 LYS 68 - HB3 GLU 25 OK 11 60 - 19 - 1648/1.8=4, 1642/3.0=3...(8) HG2 GLU 33 - HB3 GLU 25 lone 5 62 - 8 - 1648/1.8=1 Peak 3274 from cnoeabs.peaks (2.46, 2.07, 29.43 ppm; 3.52 A): 4 out of 8 assignments used, quality = 1.00: * HG3 GLU 77 + HB3 GLU 77 OK 100 100 - 100 - 3.0=100 HG3 GLU 25 + HB3 GLU 77 OK 65 95 - 69 - 3262/3.0=8, 3268/1.8=7...(34) HG3 GLU 25 + HB3 GLU 25 OK 54 54 - 100 - 3.0=100 HG3 MET 21 + HB3 GLU 77 OK 50 100 - 50 - 4.0/4232=7, 1536=6...(20) HG3 GLU 77 - HB3 GLU 25 OK 43 62 - 70 - 1649/1.8=12, 1643/3.0=9...(31) HG3 MET 21 - HB3 GLU 25 poor 10 62 - 16 - 1649/1.8=2, 602/4.1=2...(6) HB3 ASP 43 - HB3 GLU 77 lone 2 81 - 3 - HB3 ASP 43 - HB3 GLU 25 lone 2 43 - 4 - Peak 3275 from cnoeabs.peaks (8.26, 2.22, 36.55 ppm; 3.68 A): 5 out of 12 assignments used, quality = 0.92: * H GLU 77 + HG2 GLU 77 OK 79 100 - 79 - 5.0=39, 879/1.8=19...(13) H GLU 77 + HG2 GLU 25 OK 37 61 - 61 - 878=15, 879/1.8=12...(17) H ASP 88 + HG2 GLU 77 OK 18 95 - 19 - 3281/1.8=4, 3269/3.0=3...(5) H VAL 66 + HG2 GLU 77 OK 16 100 - 16 - 3281/1.8=4, 3269/3.0=3...(5) H ALA 86 + HG2 GLU 77 OK 13 95 - 13 - 3281/1.8=3, 363/4.9=2...(5) H GLY 16 - HG2 GLU 77 lone 3 65 - 5 - H LYS 64 - HG2 GLU 77 lone 3 63 - 5 - H ASP 88 - HG2 GLU 25 lone 3 53 - 5 - H VAL 66 - HG2 GLU 25 lone 3 61 - 4 - H ALA 86 - HG2 GLU 25 lone 2 53 - 3 - H GLY 16 - HG2 GLU 25 lone 1 33 - 3 - H LYS 64 - HG2 GLU 25 lone 1 31 - 2 - Peak 3276 from cnoeabs.peaks (3.87, 2.22, 36.55 ppm; 3.29 A): 3 out of 8 assignments used, quality = 0.95: * HA GLU 77 + HG2 GLU 77 OK 88 100 - 88 - 3.7=70, 3282/1.8=16...(15) HA GLU 77 + HG2 GLU 25 OK 36 61 - 60 - 3261=13, 3262/1.8=9...(22) HA GLU 22 + HG2 GLU 77 OK 31 85 - 37 - 3282/1.8=6, 3270/3.0=5...(15) HA GLU 22 - HG2 GLU 25 OK 14 45 - 32 - 1553/3.0=7, 4165/3.0=6...(10) HA ALA 69 - HG2 GLU 77 lone 10 100 - 10 - 3282/1.8=2, 3264/3.0=1...(4) HA3 GLY 29 - HG2 GLU 77 lone 5 100 - 5 - HA ALA 69 - HG2 GLU 25 lone 2 60 - 4 - HA3 GLY 29 - HG2 GLU 25 lone 1 61 - 2 - Peak 3277 from cnoeabs.peaks (1.96, 2.22, 36.55 ppm; 3.01 A): 1 out of 30 assignments used, quality = 1.00: * HB2 GLU 77 + HG2 GLU 77 OK 100 100 - 100 - 3.0=100 HB2 GLU 33 - HG2 GLU 77 OK 36 90 - 40 - 2048=7, 1.8/2054=6...(14) HB2 GLU 77 - HG2 GLU 25 OK 35 61 - 58 - 3267=9, 3.0/3261=6...(27) HB3 GLU 22 - HG2 GLU 77 OK 33 90 - 37 - 3267=5, 3268/1.8=4...(15) HB2 LEU 76 - HG2 GLU 77 OK 26 95 - 27 - 4.6/3275=5, ~5803=3...(8) HB VAL 20 - HG2 GLU 77 OK 15 81 - 19 - 2.1/4395=5, 2.1/4399=4...(5) HB3 GLU 22 - HG2 GLU 25 OK 15 49 - 31 - 3267=4, 1565/3.0=3...(11) HE3 LYS 68 - HG2 GLU 77 poor 9 63 - 14 - 3111=2, 3.7/3071=1, 4.9/5806=1 HG2 PRO 19 - HG2 GLU 77 lone 8 100 - 8 - HB2 PRO 19 - HG2 GLU 77 lone 8 81 - 9 - HB3 PRO 81 - HG2 GLU 77 lone 8 97 - 8 - 365/4.9=1 HB3 PRO 19 - HG2 GLU 77 lone 6 71 - 9 - HB2 GLU 33 - HG2 GLU 25 poor 5 49 - 10 - 2048=2, 1.8/2054=2, 3.0/2066=1 HE3 LYS 68 - HG2 GLU 25 poor 5 31 - 17 - 3111=3, ~1648=1...(6) HB2 LEU 76 - HG2 GLU 25 lone 5 53 - 10 - 4.6/878=4, 5775/5.0=1 HB2 PRO 19 - HG2 GLU 25 poor 5 42 - 11 - ~1664=1, ~1663=1, ~1645=1 HG2 PRO 19 - HG2 GLU 25 lone 4 61 - 7 - 1472/4.0=1, ~1664=1 HB3 PRO 19 - HG2 GLU 25 poor 4 36 - 11 - ~1664=1, ~1663=1, ~1645=1 HG3 PRO 84 - HG2 GLU 77 lone 3 97 - 3 - HB VAL 20 - HG2 GLU 25 lone 3 42 - 8 - 2.1/4395=3, 2.1/4399=2 HB2 GLU 51 - HG2 GLU 77 lone 3 98 - 3 - QE MET 48 - HG2 GLU 77 lone 3 63 - 4 - HB2 GLN 58 - HG2 GLU 77 lone 2 100 - 2 - HB VAL 47 - HG2 GLU 77 lone 1 63 - 2 - HB3 PRO 81 - HG2 GLU 25 lone 1 55 - 2 - HG3 PRO 84 - HG2 GLU 25 lone 1 56 - 2 - HB2 GLU 51 - HG2 GLU 25 lone 1 57 - 1 - QE MET 48 - HG2 GLU 25 lone 1 31 - 2 - HB2 GLN 58 - HG2 GLU 25 lone 1 60 - 1 - HB VAL 47 - HG2 GLU 25 lone 0 31 - 1 - Peak 3278 from cnoeabs.peaks (2.07, 2.22, 36.55 ppm; 2.86 A): 3 out of 16 assignments used, quality = 0.96: * HB3 GLU 77 + HG2 GLU 77 OK 91 100 - 91 - 3.0=86, 3.0/3276=9...(8) HB2 MET 21 + HG2 GLU 77 OK 39 98 - 40 - 1518/1.8=8, ~1525=5...(15) HG3 GLU 33 + HG2 GLU 77 OK 35 99 - 36 - 2066=8, 3.0/2048=4...(14) HB3 GLU 25 - HG2 GLU 77 OK 34 63 - 54 - 1.8/1648=9, 3.0/1642=7...(25) HB3 GLU 77 - HG2 GLU 25 OK 32 61 - 53 - 3273=7, 1.8/3267=6...(25) HB3 GLU 25 - HG2 GLU 25 OK 28 31 - 91 - 3.0=87, 3.0/1642=9...(8) HG2 GLU 22 - HG2 GLU 77 OK 26 100 - 26 - 1567/3.7=4, 1569/3.0=3...(11) HA ALA 75 - HG2 GLU 77 OK 19 92 - 21 - 4235/4.9=3, 4234/5.0=2...(7) QE MET 21 - HG2 GLU 77 OK 17 97 - 18 - 1546/1.8=3, 5.3/5799=2...(5) HG2 GLU 22 - HG2 GLU 25 OK 12 61 - 20 - 1571/3.0=4, 4456/4.0=3...(7) HA ALA 75 - HG2 GLU 25 poor 9 50 - 18 - 4236/3.0=4, ~1662=2...(7) HB2 MET 21 - HG2 GLU 25 poor 7 57 - 12 - 1518/1.8=3, ~1525=2...(4) HG3 GLU 33 - HG2 GLU 25 lone 5 58 - 9 - 2066=2, 3.0/2048=1, 3.0/2054=1 QE MET 21 - HG2 GLU 25 lone 3 55 - 5 - 1546/1.8=1 HG3 GLN 55 - HG2 GLU 77 lone 2 60 - 4 - 5193/4.9=1 HG3 GLN 55 - HG2 GLU 25 lone 0 29 - 1 - Peak 3279 from cnoeabs.peaks (2.22, 2.22, 36.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 77 + HG2 GLU 77 OK 100 100 - 100 HG2 GLU 25 + HG2 GLU 25 OK 60 60 - 100 Peak 3280 from cnoeabs.peaks (2.46, 2.22, 36.55 ppm; 2.40 A): 2 out of 8 assignments used, quality = 1.00: * HG3 GLU 77 + HG2 GLU 77 OK 100 100 - 100 - 1.8=100 HG3 GLU 25 + HG2 GLU 25 OK 53 53 - 100 - 1.8=100 HG3 GLU 25 - HG2 GLU 77 OK 36 95 - 38 - 1666=7, 3.0/1648=4...(16) HG3 GLU 77 - HG2 GLU 25 OK 23 61 - 38 - 3285=8, 1649/3.0=4...(17) HG3 MET 21 - HG2 GLU 77 OK 22 100 - 22 - ~1532=3, 4.0/5799=2...(10) HG3 MET 21 - HG2 GLU 25 lone 5 61 - 8 - HB3 ASP 43 - HG2 GLU 77 lone 1 81 - 1 - HB3 ASP 43 - HG2 GLU 25 lone 1 42 - 2 - Peak 3281 from cnoeabs.peaks (8.26, 2.46, 36.55 ppm; 3.54 A): 5 out of 12 assignments used, quality = 0.90: * H GLU 77 + HG3 GLU 77 OK 78 100 - 78 - 5.0=35, 3275/1.8=15...(16) H GLU 77 + HG3 GLU 25 OK 30 53 - 57 - 879=16, 878/1.8=11...(17) H ASP 88 + HG3 GLU 77 OK 18 95 - 19 - 3275/1.8=3, 3269/3.0=3...(6) H VAL 66 + HG3 GLU 77 OK 15 100 - 15 - 3275/1.8=3, 3269/3.0=3...(5) H ALA 86 + HG3 GLU 77 OK 12 95 - 13 - 3275/1.8=2, 363/4.9=2...(5) H LYS 64 - HG3 GLU 77 lone 3 63 - 6 - H GLY 16 - HG3 GLU 77 lone 3 65 - 4 - H ASP 88 - HG3 GLU 25 lone 2 46 - 5 - H VAL 66 - HG3 GLU 25 lone 2 53 - 4 - H ALA 86 - HG3 GLU 25 lone 1 46 - 3 - H GLY 16 - HG3 GLU 25 lone 1 28 - 3 - H LYS 64 - HG3 GLU 25 lone 0 27 - 2 - Peak 3282 from cnoeabs.peaks (3.87, 2.46, 36.55 ppm; 3.50 A): 2 out of 8 assignments used, quality = 0.96: * HA GLU 77 + HG3 GLU 77 OK 94 100 - 94 - 3.7=84, 3276/1.8=18...(17) HA GLU 22 + HG3 GLU 77 OK 34 85 - 41 - 3276/1.8=6, 3270/3.0=5...(17) HA GLU 77 - HG3 GLU 25 OK 34 53 - 64 - 3262=12, 3261/1.8=11...(23) HA GLU 22 - HG3 GLU 25 OK 14 39 - 37 - 1553/3.0=7, 4165/3.0=7...(11) HA ALA 69 - HG3 GLU 77 lone 9 100 - 9 - 3276/1.8=2, 3264/3.0=1...(4) HA3 GLY 29 - HG3 GLU 77 lone 5 100 - 5 - 3276/1.8=1 HA ALA 69 - HG3 GLU 25 lone 2 53 - 4 - HA3 GLY 29 - HG3 GLU 25 lone 1 53 - 2 - Peak 3283 from cnoeabs.peaks (1.96, 2.46, 36.55 ppm; 3.15 A): 1 out of 30 assignments used, quality = 1.00: * HB2 GLU 77 + HG3 GLU 77 OK 100 100 - 100 - 3.0=100 HB3 GLU 22 - HG3 GLU 77 OK 36 90 - 41 - 3268=5, 3267/1.8=4...(18) HB2 GLU 33 - HG3 GLU 77 OK 32 90 - 36 - 2048/1.8=7, 2049/3.0=5...(14) HB2 GLU 77 - HG3 GLU 25 OK 32 53 - 61 - 3268=8, 3267/1.8=7...(28) HB2 LEU 76 - HG3 GLU 77 OK 29 95 - 31 - 4.6/879=6, 1.8/5803=4...(8) HB VAL 20 - HG3 GLU 77 OK 18 81 - 22 - 4.4/576=4, ~4395=4...(7) HB3 GLU 22 - HG3 GLU 25 OK 14 43 - 34 - 1565/3.0=4, 3268=4...(14) HG2 PRO 19 - HG3 GLU 77 lone 9 100 - 9 - HB2 PRO 19 - HG3 GLU 77 poor 8 81 - 10 - HB3 PRO 81 - HG3 GLU 77 lone 8 97 - 9 - 3.9/5791=1, 365/4.9=1 HB3 PRO 19 - HG3 GLU 77 lone 7 71 - 10 - HE3 LYS 68 - HG3 GLU 77 lone 6 63 - 10 - 3111/1.8=2, 1.8/3285=1 HB2 LEU 76 - HG3 GLU 25 poor 5 46 - 11 - 4.6/879=4, 5775/5.0=1 HB2 PRO 19 - HG3 GLU 25 poor 4 36 - 12 - ~1658=1, ~1657=1, ~1645=1 HG2 PRO 19 - HG3 GLU 25 lone 4 53 - 8 - 1472/4.0=1, ~1658=1 HG3 PRO 84 - HG3 GLU 77 lone 4 97 - 4 - HB3 PRO 19 - HG3 GLU 25 poor 4 31 - 12 - ~1657=1, ~1658=1, ~1645=1 HB2 GLU 33 - HG3 GLU 25 lone 3 43 - 8 - 2048/1.8=2, ~2054=1 HE3 LYS 68 - HG3 GLU 25 poor 3 27 - 12 - 3111/1.8=3, ~1648=2, ~3102=1 HB VAL 20 - HG3 GLU 25 lone 3 36 - 8 - ~4395=2, ~4399=2, 4.4/576=1 HB2 GLU 51 - HG3 GLU 77 lone 3 98 - 3 - HB2 GLN 58 - HG3 GLU 77 lone 3 100 - 3 - QE MET 48 - HG3 GLU 77 lone 2 63 - 3 - HB VAL 47 - HG3 GLU 77 lone 1 63 - 2 - HB3 PRO 81 - HG3 GLU 25 lone 1 48 - 2 - HG3 PRO 84 - HG3 GLU 25 lone 1 49 - 2 - HB2 GLU 51 - HG3 GLU 25 lone 1 50 - 1 - HB2 GLN 58 - HG3 GLU 25 lone 0 53 - 1 - QE MET 48 - HG3 GLU 25 lone 0 27 - 1 - HB VAL 47 - HG3 GLU 25 lone 0 27 - 1 - Peak 3284 from cnoeabs.peaks (2.07, 2.46, 36.55 ppm; 3.05 A): 2 out of 16 assignments used, quality = 1.00: * HB3 GLU 77 + HG3 GLU 77 OK 100 100 - 100 - 3.0=100 HB2 MET 21 + HG3 GLU 77 OK 54 98 - 55 - 1518=13, 1.8/1525=9...(23) HB3 GLU 25 - HG3 GLU 77 OK 37 63 - 59 - 1.8/1649=10, 3.0/1643=7...(28) HG3 GLU 33 - HG3 GLU 77 OK 33 99 - 33 - 2066/1.8=7, 1.8/3285=4...(15) HG2 GLU 22 - HG3 GLU 77 OK 31 100 - 31 - 1567/3.7=4, 1569/3.0=3...(14) HB3 GLU 77 - HG3 GLU 25 OK 31 53 - 58 - 3274=6, 3273/1.8=6...(28) QE MET 21 - HG3 GLU 77 OK 30 97 - 31 - 3.4/1532=5, 4.2/1525=4...(11) HB3 GLU 25 - HG3 GLU 25 OK 27 27 - 100 - 3.0=100 HA ALA 75 - HG3 GLU 77 OK 22 92 - 25 - 4235/4.9=3, 3.6/5791=3...(9) HG2 GLU 22 - HG3 GLU 25 OK 13 53 - 24 - 1571/3.0=4, 4456/4.0=3...(10) HB2 MET 21 - HG3 GLU 25 poor 10 50 - 20 - 1518=4, 1.8/1525=3...(7) HA ALA 75 - HG3 GLU 25 poor 9 44 - 20 - 4236/3.0=5, 3209/5.0=2...(8) QE MET 21 - HG3 GLU 25 poor 5 48 - 10 - 3.4/1532=1, 4.2/1525=1...(5) HG3 GLU 33 - HG3 GLU 25 lone 4 51 - 7 - 2066/1.8=2 HG3 GLN 55 - HG3 GLU 77 lone 3 60 - 5 - 5193/4.9=1 HG3 GLN 55 - HG3 GLU 25 lone 0 25 - 1 - Peak 3285 from cnoeabs.peaks (2.22, 2.46, 36.55 ppm; 2.40 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 77 + HG3 GLU 77 OK 100 100 - 100 - 1.8=100 HG2 GLU 25 + HG3 GLU 25 OK 53 53 - 100 - 1.8=100 HG2 GLU 25 - HG3 GLU 77 OK 38 100 - 38 - 1661=7, 3.0/1649=4...(17) HG2 GLU 33 - HG3 GLU 77 OK 20 100 - 21 - 2061/3.0=3, ~2066=2...(9) HG2 GLU 77 - HG3 GLU 25 OK 20 53 - 38 - 3280=7, 1648/3.0=4...(16) HE2 LYS 68 - HG3 GLU 77 lone 7 99 - 7 - HE2 LYS 68 - HG3 GLU 25 lone 5 51 - 10 - 1648/3.0=2, ~3111=1 HG2 GLU 33 - HG3 GLU 25 lone 3 53 - 5 - Peak 3286 from cnoeabs.peaks (2.46, 2.46, 36.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 77 + HG3 GLU 77 OK 100 100 - 100 HG3 GLU 25 + HG3 GLU 25 OK 46 46 - 100 Peak 3287 from cnoeabs.peaks (7.20, 4.26, 56.85 ppm; 3.64 A): 3 out of 3 assignments used, quality = 1.00: * H LYS 78 + HA LYS 78 OK 100 100 - 100 - 2.9=100 QE PHE 57 + HA LYS 78 OK 64 95 - 68 - 4660/3.0=14, 3297/3.0=11...(18) QD PHE 80 + HA LYS 78 OK 49 100 - 49 - 369/3.6=10, 3307/3.0=8...(14) Peak 3288 from cnoeabs.peaks (4.26, 4.26, 56.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 78 + HA LYS 78 OK 100 100 - 100 Peak 3289 from cnoeabs.peaks (1.99, 4.26, 56.85 ppm; 3.36 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LYS 78 + HA LYS 78 OK 100 100 - 100 - 3.0=100 HB3 PRO 19 - HA LYS 78 OK 37 97 - 38 - 2.3/3290=4, 3309/3.0=3...(17) HB2 PRO 19 - HA LYS 78 OK 35 93 - 37 - 2.3/3290=4, 3309/3.0=3...(17) HB3 PRO 81 - HA LYS 78 OK 30 73 - 41 - 2.3/3293=5, 2.3/3290=5...(20) HG2 PRO 84 - HA LYS 78 OK 27 100 - 27 - 2.3/3290=3, 3309/3.0=3...(9) HB2 GLU 25 - HA LYS 78 OK 23 100 - 23 - 882/2.9=4, 3.0/5818=3...(10) HB2 LEU 23 - HA LYS 78 OK 19 78 - 24 - ~4483=2, ~5809=2...(13) HG2 GLU 49 - HA LYS 78 OK 19 78 - 24 - 1.8/3293=3, 3309/3.0=2...(11) HB2 GLU 51 - HA LYS 78 OK 17 68 - 25 - 1.8/3291=3, 3.0/5072=3...(13) HB3 GLU 49 - HA LYS 78 OK 16 73 - 22 - 3.0/3293=2, 1.8/3290=2...(5) HE3 LYS 68 - HA LYS 78 lone 9 99 - 9 - 882/2.9=1, ~367=1, 1.8/5818=1 HB2 LEU 34 - HA LYS 78 lone 6 100 - 6 - Peak 3290 from cnoeabs.peaks (1.87, 4.26, 56.85 ppm; 3.53 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LYS 78 + HA LYS 78 OK 100 100 - 100 - 3.0=100 HG2 PRO 81 + HA LYS 78 OK 51 97 - 53 - 1.8/3293=7, 3300/3.0=5...(22) HG3 PRO 19 - HA LYS 78 OK 40 100 - 40 - 372/3.6=5, 883/2.9=4...(16) HB3 PRO 84 - HA LYS 78 OK 29 90 - 32 - 3300/3.0=3, 2.3/3289=3...(12) HB2 GLU 49 - HA LYS 78 OK 18 71 - 25 - 3.0/3293=3, 1.8/3289=2...(13) HB2 GLU 22 - HA LYS 78 OK 16 63 - 25 - ~4083=2, 1.8/3293=2...(12) HB ILE 35 - HA LYS 78 OK 12 100 - 11 - 372/3.6=1, 3300/3.0=1 HB3 GLU 37 - HA LYS 78 OK 11 98 - 11 - 3300/3.0=1 HB3 MET 11 - HA LYS 78 OK 11 78 - 14 - 3330/3.7=1, 3320/3.7=1...(7) HB2 MET 11 - HA LYS 78 poor 10 73 - 13 - 3330/3.7=1, 3320/3.7=1...(5) HB3 GLN 58 - HA LYS 78 lone 7 81 - 9 - 4.6/4087=1, 372/3.6=1 HB VAL 66 - HA LYS 78 lone 2 63 - 3 - Peak 3291 from cnoeabs.peaks (1.70, 4.26, 56.85 ppm; 4.12 A): 1 out of 9 assignments used, quality = 1.00: * HG2 LYS 78 + HA LYS 78 OK 100 100 - 100 - 3.7=100 HB2 LEU 30 - HA LYS 78 OK 43 97 - 44 - 3.0/5813=7, 3.1/6033=6...(14) HB3 ARG 27 - HA LYS 78 OK 35 100 - 35 - 3301/3.0=5, 3311/3.0=5...(11) HB3 GLU 51 - HA LYS 78 OK 33 87 - 38 - 3.0/5072=5, 4.6/739=4...(16) HB3 LYS 31 - HA LYS 78 OK 29 100 - 29 - 3301/3.0=4, 3311/3.0=4...(11) HB3 LYS 91 - HA LYS 78 OK 16 93 - 16 - 3301/3.0=2, 3311/3.0=2...(8) HB3 LYS 17 - HA LYS 78 OK 13 85 - 15 - 884/2.9=2, 373/3.6=1...(7) HB2 LYS 17 - HA LYS 78 OK 12 83 - 14 - 884/2.9=1, 373/3.6=1...(7) HD3 LYS 31 - HA LYS 78 lone 5 63 - 8 - 3.6/3294=2 Peak 3292 from cnoeabs.peaks (1.46, 4.26, 56.85 ppm; 3.95 A): 3 out of 8 assignments used, quality = 1.00: * HG3 LYS 78 + HA LYS 78 OK 100 100 - 100 - 3.7=100 HB3 LEU 76 + HA LYS 78 OK 61 99 - 61 - 885/2.9=7, 374/3.6=6...(25) HG LEU 79 + HA LYS 78 OK 50 85 - 59 - 2.1/5843=9, 894/3.6=9...(19) HG2 LYS 65 - HA LYS 78 OK 34 97 - 36 - 2.8/5813=6, 2.8/5813=6...(15) HG LEU 12 - HA LYS 78 OK 22 99 - 22 - 374/3.6=4, 3312/3.0=3...(9) HD2 LYS 64 - HA LYS 78 OK 16 100 - 15 - 5438/4.7=2, 3302/3.0=2...(7) HB3 LYS 64 - HA LYS 78 OK 11 90 - 13 - 5431/4.7=2, 3302/3.0=2...(7) HB3 ARG 45 - HA LYS 78 lone 5 100 - 5 - Peak 3293 from cnoeabs.peaks (1.92, 4.26, 56.85 ppm; 3.43 A): 4 out of 12 assignments used, quality = 0.95: * HD2 LYS 78 + HA LYS 78 OK 79 100 - 79 - 4.7=40, 1.8/3348=15...(21) HG3 PRO 81 + HA LYS 78 OK 48 100 - 48 - 1.8/3290=6, 3303/3.0=5...(20) HB2 LEU 76 + HA LYS 78 OK 32 71 - 46 - 1.8/3292=6, 886/2.9=4...(20) HG3 GLU 49 + HA LYS 78 OK 26 99 - 26 - 3303/3.0=3, 3313/3.0=3...(12) HB3 GLU 22 - HA LYS 78 OK 17 78 - 21 - 886/2.9=2, ~364=2...(11) HG3 PRO 84 - HA LYS 78 OK 16 63 - 25 - 1.8/3289=3, 2.3/3290=3...(9) HB2 GLU 33 - HA LYS 78 OK 12 78 - 16 - 3.0/5818=3, 886/2.9=2...(7) QE MET 48 - HA LYS 78 OK 11 97 - 11 - 4864/3.7=2, 3303/3.0=1...(5) HB VAL 20 - HA LYS 78 lone 8 89 - 9 - 886/2.9=1, 375/3.6=1, 3313/3.0=1 HB2 MET 11 - HA LYS 78 poor 8 65 - 12 - 1.8/3290=1, 3303/3.0=1 HB3 MET 11 - HA LYS 78 poor 7 60 - 11 - 1.8/3290=1 HB VAL 47 - HA LYS 78 lone 6 97 - 6 - 375/3.6=1 Peak 3294 from cnoeabs.peaks (1.78, 4.26, 56.85 ppm; 3.90 A): 3 out of 14 assignments used, quality = 0.96: * HD3 LYS 78 + HA LYS 78 OK 89 100 - 89 - 4.7=59, 1.8/3338=20...(21) HG LEU 76 + HA LYS 78 OK 35 73 - 49 - 3.0/3292=6, ~5786=5...(21) HB2 LYS 65 + HA LYS 78 OK 35 100 - 35 - 3.5/5813=5, 3.5/5813=5...(15) QB ALA 74 - HA LYS 78 OK 31 99 - 32 - ~1100=8, 5730/2.9=7...(9) HB2 ARG 27 - HA LYS 78 OK 29 99 - 29 - 1.8/3291=4, 3324/3.7=3...(11) HB2 LYS 31 - HA LYS 78 OK 27 100 - 27 - 1.8/3291=4, 3314/3.0=3...(12) HG2 GLU 51 - HA LYS 78 OK 23 73 - 32 - 3.9/5072=4, 3.0/3291=3...(17) HG3 GLU 51 - HA LYS 78 OK 22 71 - 31 - 3.9/5072=4, 3.0/3291=3...(17) HB2 LYS 91 - HA LYS 78 OK 14 98 - 14 - 1.8/3291=2, 3710/3.7=2...(7) HG3 GLU 37 - HA LYS 78 OK 13 100 - 12 - 3314/3.0=2, 3304/3.0=1...(6) QE MET 11 - HA LYS 78 OK 11 92 - 11 - 1155/3.0=1, 376/3.6=1 HB2 MET 48 - HA LYS 78 OK 10 97 - 11 - 3314/3.0=1, 4.0/3293=1 HB2 ARG 28 - HA LYS 78 lone 7 100 - 6 - HB3 ARG 28 - HA LYS 78 lone 5 89 - 6 - Peak 3295 from cnoeabs.peaks (3.09, 4.26, 56.85 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 78 + HA LYS 78 OK 100 100 - 100 - 5.7=100 HE3 LYS 78 + HA LYS 78 OK 100 100 - 100 - 5.7=100 HB2 HIS 42 - HA LYS 78 OK 10 89 - 11 - 3315/3.0=2, 3305/3.0=2...(6) Peak 3296 from cnoeabs.peaks (3.09, 4.26, 56.85 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 78 + HA LYS 78 OK 100 100 - 100 - 5.7=100 HE2 LYS 78 + HA LYS 78 OK 100 100 - 100 - 5.7=100 HB2 HIS 42 - HA LYS 78 OK 10 87 - 11 - 3315/3.0=2, 3305/3.0=2...(6) Peak 3297 from cnoeabs.peaks (7.20, 1.99, 33.27 ppm; 3.22 A): 3 out of 3 assignments used, quality = 0.96: * H LYS 78 + HB2 LYS 78 OK 77 100 - 77 - 4.0=53, 3307/1.8=14...(11) QE PHE 57 + HB2 LYS 78 OK 66 95 - 70 - 4660/1.8=14, 4662/2.8=11...(21) QD PHE 80 + HB2 LYS 78 OK 44 100 - 44 - 3307/1.8=8, 369/4.4=6...(11) Peak 3298 from cnoeabs.peaks (4.26, 1.99, 33.27 ppm; 3.45 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 78 + HB2 LYS 78 OK 100 100 - 100 - 3.0=100 HA LEU 87 - HB2 LYS 78 OK 40 95 - 42 - 3308/1.8=6, 2.9/4088=5...(16) HA VAL 52 - HB2 LYS 78 OK 26 92 - 29 - 3308/1.8=4, 3328/2.8=3...(11) HA LEU 85 - HB2 LYS 78 OK 22 100 - 22 - 3308/1.8=4, 3328/2.8=2...(10) HA ASP 53 - HB2 LYS 78 OK 13 85 - 15 - 3.6/5158=2, 3308/1.8=2...(8) HA ALA 89 - HB2 LYS 78 lone 9 100 - 9 - 3308/1.8=2, 3328/2.8=1...(5) HA3 GLY 39 - HB2 LYS 78 lone 5 92 - 6 - Peak 3299 from cnoeabs.peaks (1.99, 1.99, 33.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 78 + HB2 LYS 78 OK 100 100 - 100 Peak 3300 from cnoeabs.peaks (1.87, 1.99, 33.27 ppm; 2.79 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LYS 78 + HB2 LYS 78 OK 100 100 - 100 - 1.8=100 HG2 PRO 81 - HB2 LYS 78 OK 41 97 - 42 - 1.8/3303=5, 3340/3.7=3...(19) HG3 PRO 19 - HB2 LYS 78 OK 31 100 - 31 - 1481=3, 3320/2.8=3...(14) HB3 PRO 84 - HB2 LYS 78 OK 25 90 - 27 - 3553=3, 3320/2.8=2...(10) HB2 GLU 49 - HB2 LYS 78 OK 14 71 - 20 - 3.0/3303=2, 2461=1...(6) HB2 GLU 22 - HB2 LYS 78 OK 11 63 - 17 - 1.8/3303=2, 3.0/4237=2...(4) HB ILE 35 - HB2 LYS 78 lone 10 100 - 9 - HB3 MET 11 - HB2 LYS 78 poor 9 78 - 12 - 3330/2.8=1, 1.8/3303=1...(4) HB3 GLU 37 - HB2 LYS 78 lone 9 98 - 9 - HB2 MET 11 - HB2 LYS 78 poor 8 73 - 11 - HB3 GLN 58 - HB2 LYS 78 lone 5 81 - 6 - HB VAL 66 - HB2 LYS 78 lone 1 63 - 2 - Peak 3301 from cnoeabs.peaks (1.70, 1.99, 33.27 ppm; 3.56 A): 1 out of 9 assignments used, quality = 1.00: * HG2 LYS 78 + HB2 LYS 78 OK 100 100 - 100 - 2.8=100 HB2 LEU 30 - HB2 LYS 78 OK 38 97 - 39 - 3311/1.8=5, 3331/2.8=4...(19) HB3 ARG 27 - HB2 LYS 78 OK 36 100 - 36 - 3311/1.8=5, 3331/2.8=4...(15) HB3 LYS 31 - HB2 LYS 78 OK 31 100 - 31 - 3311/1.8=4, 3331/2.8=3...(14) HB3 GLU 51 - HB2 LYS 78 OK 29 87 - 34 - 3311/1.8=3, 3331/2.8=3...(15) HB3 LYS 91 - HB2 LYS 78 OK 16 93 - 17 - 3311/1.8=2, 3331/2.8=2...(7) HB3 LYS 17 - HB2 LYS 78 OK 11 85 - 13 - 3311/1.8=1, 3331/2.8=1...(5) HB2 LYS 17 - HB2 LYS 78 OK 11 83 - 13 - 3311/1.8=1, 3331/2.8=1 HD3 LYS 31 - HB2 LYS 78 lone 5 63 - 8 - 3.6/3304=2 Peak 3302 from cnoeabs.peaks (1.46, 1.99, 33.27 ppm; 3.54 A): 2 out of 8 assignments used, quality = 1.00: * HG3 LYS 78 + HB2 LYS 78 OK 100 100 - 100 - 2.8=100 HB3 LEU 76 + HB2 LYS 78 OK 48 99 - 48 - 3312/1.8=6, 3322/2.8=5...(22) HG LEU 79 - HB2 LYS 78 OK 45 85 - 53 - 3312/1.8=6, 5.0/4088=6...(22) HG2 LYS 65 - HB2 LYS 78 OK 27 97 - 28 - 3312/1.8=3, 3292/3.0=3...(13) HG LEU 12 - HB2 LYS 78 OK 23 99 - 23 - 3312/1.8=3, 374/4.4=3...(11) HD2 LYS 64 - HB2 LYS 78 OK 18 100 - 18 - 5438/3.7=2, 3312/1.8=2...(6) HB3 LYS 64 - HB2 LYS 78 OK 14 90 - 15 - 3312/1.8=2, 5431/3.7=2...(4) HB3 ARG 45 - HB2 LYS 78 lone 5 100 - 5 - Peak 3303 from cnoeabs.peaks (1.92, 1.99, 33.27 ppm; 2.86 A): 6 out of 12 assignments used, quality = 0.92: * HD2 LYS 78 + HB2 LYS 78 OK 72 100 - 72 - 3.7=48, 3340/1.8=14...(16) HG3 PRO 81 + HB2 LYS 78 OK 40 100 - 40 - 1.8/3300=5, 3313/1.8=5...(17) HG3 GLU 49 + HB2 LYS 78 OK 23 99 - 23 - 3313/1.8=3, 2479=2...(10) HB2 LEU 76 + HB2 LYS 78 OK 20 71 - 29 - 1.8/3302=4, 3313/1.8=3...(12) HG3 PRO 84 + HB2 LYS 78 OK 15 63 - 24 - 2.3/3300=3, 3313/1.8=2...(10) HB3 GLU 22 + HB2 LYS 78 OK 14 78 - 18 - 3.0/4237=2, 3313/1.8=2...(9) HB2 GLU 33 - HB2 LYS 78 poor 10 78 - 13 - 3.0/4237=2, 3313/1.8=1...(4) QE MET 48 - HB2 LYS 78 lone 10 97 - 10 - 4864/2.8=2, 3313/1.8=1 HB2 MET 11 - HB2 LYS 78 poor 7 65 - 11 - 1.8/3300=1 HB VAL 20 - HB2 LYS 78 lone 7 89 - 8 - 3313/1.8=1 HB3 MET 11 - HB2 LYS 78 poor 6 60 - 11 - 1.8/3300=1 HB VAL 47 - HB2 LYS 78 lone 5 97 - 5 - Peak 3304 from cnoeabs.peaks (1.78, 1.99, 33.27 ppm; 3.88 A): 1 out of 14 assignments used, quality = 1.00: * HD3 LYS 78 + HB2 LYS 78 OK 100 100 - 100 - 3.7=100 HB2 ARG 27 - HB2 LYS 78 OK 36 99 - 37 - 1.8/3301=5, 3324/2.8=4...(15) HB2 LYS 65 - HB2 LYS 78 OK 32 100 - 32 - 3314/1.8=3, 2921/2.8=3...(14) HG LEU 76 - HB2 LYS 78 OK 32 73 - 43 - 3.0/3302=5, ~3312=3...(19) HB2 LYS 31 - HB2 LYS 78 OK 31 100 - 31 - 1.8/3301=5, 3314/1.8=3...(11) QB ALA 74 - HB2 LYS 78 OK 25 99 - 26 - 4.4/4236=7, 5730/4.0=5...(8) HG2 GLU 51 - HB2 LYS 78 OK 24 73 - 32 - 3.0/3301=3, 3314/1.8=2...(19) HG3 GLU 51 - HB2 LYS 78 OK 23 71 - 32 - 3.0/3301=3, 3314/1.8=2...(19) HB2 LYS 91 - HB2 LYS 78 OK 17 98 - 17 - 1.8/3301=2, 3710/2.8=2...(8) HG3 GLU 37 - HB2 LYS 78 OK 16 100 - 15 - 3314/1.8=2, ~2185=2...(7) HB2 MET 48 - HB2 LYS 78 OK 13 97 - 13 - 3314/1.8=1, 3344/3.7=1...(5) QE MET 11 - HB2 LYS 78 OK 12 92 - 13 - 3314/1.8=1, 3334/2.8=1 HB2 ARG 28 - HB2 LYS 78 lone 8 100 - 8 - HB3 ARG 28 - HB2 LYS 78 lone 7 89 - 7 - Peak 3305 from cnoeabs.peaks (3.09, 1.99, 33.27 ppm; 5.08 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 78 + HB2 LYS 78 OK 100 100 - 100 - 4.4=100 HE3 LYS 78 + HB2 LYS 78 OK 100 100 - 100 - 4.4=100 HB2 HIS 42 - HB2 LYS 78 lone 8 89 - 9 - 3315/1.8=2, 3295/3.0=1...(6) Peak 3306 from cnoeabs.peaks (3.09, 1.99, 33.27 ppm; 5.08 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 78 + HB2 LYS 78 OK 100 100 - 100 - 4.4=100 HE2 LYS 78 + HB2 LYS 78 OK 100 100 - 100 - 4.4=100 HB2 HIS 42 - HB2 LYS 78 lone 8 87 - 9 - 3315/1.8=2, 3295/3.0=1...(6) Peak 3307 from cnoeabs.peaks (7.20, 1.87, 33.27 ppm; 3.24 A): 3 out of 3 assignments used, quality = 0.96: * H LYS 78 + HB3 LYS 78 OK 78 100 - 78 - 4.0=55, 3297/1.8=15...(10) QE PHE 57 + HB3 LYS 78 OK 69 95 - 73 - 4660=17, 3297/1.8=12...(20) QD PHE 80 + HB3 LYS 78 OK 47 100 - 47 - 3297/1.8=8, 369/4.4=6...(12) Peak 3308 from cnoeabs.peaks (4.26, 1.87, 33.27 ppm; 3.64 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 78 + HB3 LYS 78 OK 100 100 - 100 - 3.0=100 HA LEU 87 - HB3 LYS 78 OK 44 95 - 47 - 3298/1.8=7, 2.9/4089=6...(17) HA VAL 52 - HB3 LYS 78 OK 29 92 - 32 - 3298/1.8=5, 3328/2.8=4...(12) HA LEU 85 - HB3 LYS 78 OK 25 100 - 25 - 3298/1.8=4, 3328/2.8=3...(10) HA ASP 53 - HB3 LYS 78 OK 13 85 - 15 - 3298/1.8=2, 3318/2.8=2...(7) HA ALA 89 - HB3 LYS 78 OK 11 100 - 10 - 3298/1.8=2, 3328/2.8=1...(5) HA3 GLY 39 - HB3 LYS 78 lone 6 92 - 6 - 3298/1.8=1 Peak 3309 from cnoeabs.peaks (1.99, 1.87, 33.27 ppm; 2.87 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LYS 78 + HB3 LYS 78 OK 100 100 - 100 - 1.8=100 HB3 PRO 19 - HB3 LYS 78 OK 36 97 - 37 - 1469=3, 2.3/1455=3...(21) HB2 PRO 19 - HB3 LYS 78 OK 34 93 - 37 - 2.3/1455=3, 1469=3...(21) HB3 PRO 81 - HB3 LYS 78 OK 28 73 - 39 - 2.3/3313=4, 1.8/3473=3...(21) HG2 PRO 84 - HB3 LYS 78 OK 27 100 - 27 - 3559=3, 1.8/3313=2...(11) HG2 GLU 49 - HB3 LYS 78 OK 19 78 - 24 - 1.8/3313=3, ~3303=2...(10) HB3 GLU 49 - HB3 LYS 78 OK 16 73 - 22 - 3.0/3313=2, 2465=1...(7) HB2 LEU 23 - HB3 LYS 78 OK 15 78 - 19 - 3.1/6116=2, ~1594=2...(8) HB2 GLU 51 - HB3 LYS 78 OK 13 68 - 19 - 1.8/3311=2, ~3301=2...(6) HB2 GLU 25 - HB3 LYS 78 OK 11 100 - 12 - 882/4.0=2, 3289/3.0=1, ~5818=1 HB2 LEU 34 - HB3 LYS 78 lone 6 100 - 6 - HE3 LYS 68 - HB3 LYS 78 lone 5 99 - 5 - Peak 3310 from cnoeabs.peaks (1.87, 1.87, 33.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 78 + HB3 LYS 78 OK 100 100 - 100 Peak 3311 from cnoeabs.peaks (1.70, 1.87, 33.27 ppm; 3.73 A): 1 out of 9 assignments used, quality = 1.00: * HG2 LYS 78 + HB3 LYS 78 OK 100 100 - 100 - 2.8=100 HB2 LEU 30 - HB3 LYS 78 OK 42 97 - 44 - 3301/1.8=5, 3.1/6116=5...(20) HB3 ARG 27 - HB3 LYS 78 OK 39 100 - 40 - 3301/1.8=5, 3331/2.8=4...(16) HB3 LYS 31 - HB3 LYS 78 OK 33 100 - 34 - 3301/1.8=4, 3331/2.8=3...(14) HB3 GLU 51 - HB3 LYS 78 OK 30 87 - 35 - 3301/1.8=4, 3331/2.8=3...(16) HB3 LYS 91 - HB3 LYS 78 OK 17 93 - 18 - 3301/1.8=2, 3331/2.8=2...(9) HB3 LYS 17 - HB3 LYS 78 OK 12 85 - 14 - 3301/1.8=2, 3331/2.8=1...(7) HB2 LYS 17 - HB3 LYS 78 OK 12 83 - 14 - 3301/1.8=2, 3331/2.8=1...(6) HD3 LYS 31 - HB3 LYS 78 lone 6 63 - 9 - 3.6/3314=2 Peak 3312 from cnoeabs.peaks (1.46, 1.87, 33.27 ppm; 3.52 A): 3 out of 8 assignments used, quality = 1.00: * HG3 LYS 78 + HB3 LYS 78 OK 100 100 - 100 - 2.8=100 HB3 LEU 76 + HB3 LYS 78 OK 48 99 - 49 - 3302/1.8=6, 3322/2.8=5...(22) HG LEU 79 + HB3 LYS 78 OK 48 85 - 56 - 2.1/6116=7, 5.0/4089=6...(24) HG2 LYS 65 - HB3 LYS 78 OK 27 97 - 28 - 3302/1.8=3, 3292/3.0=3...(13) HG LEU 12 - HB3 LYS 78 OK 24 99 - 24 - 3302/1.8=3, 374/4.4=3...(11) HD2 LYS 64 - HB3 LYS 78 OK 18 100 - 18 - 5438/3.7=2, 3302/1.8=2...(6) HB3 LYS 64 - HB3 LYS 78 OK 14 90 - 15 - 3302/1.8=2, 5431/3.7=2...(4) HB3 ARG 45 - HB3 LYS 78 lone 5 100 - 5 - Peak 3313 from cnoeabs.peaks (1.92, 1.87, 33.27 ppm; 3.13 A): 3 out of 12 assignments used, quality = 0.93: * HD2 LYS 78 + HB3 LYS 78 OK 82 100 - 82 - 3.7=63, 1.8/3350=12...(16) HG3 PRO 81 + HB3 LYS 78 OK 49 100 - 49 - 3303/1.8=7, 2.3/3459=4...(21) HG3 GLU 49 + HB3 LYS 78 OK 28 99 - 28 - 3303/1.8=4, 2477=3...(10) HB2 LEU 76 - HB3 LYS 78 OK 24 71 - 35 - 1.8/3312=5, 3303/1.8=3...(14) HG3 PRO 84 - HB3 LYS 78 OK 18 63 - 29 - 1.8/3309=3, 3303/1.8=3...(14) HB3 GLU 22 - HB3 LYS 78 OK 16 78 - 21 - 3303/1.8=2, 3.0/4239=2...(9) HB2 GLU 33 - HB3 LYS 78 OK 12 78 - 15 - 3.0/4239=2, 3303/1.8=2...(7) QE MET 48 - HB3 LYS 78 OK 12 97 - 12 - 4864/2.8=2, 3303/1.8=2...(4) HB VAL 20 - HB3 LYS 78 poor 9 89 - 11 - 3303/1.8=1, 4.0/56=1 HB2 MET 11 - HB3 LYS 78 poor 9 65 - 13 - 3303/1.8=1 HB3 MET 11 - HB3 LYS 78 poor 8 60 - 13 - 3303/1.8=1 HB VAL 47 - HB3 LYS 78 lone 7 97 - 7 - Peak 3314 from cnoeabs.peaks (1.78, 1.87, 33.27 ppm; 3.56 A): 1 out of 14 assignments used, quality = 0.97: * HD3 LYS 78 + HB3 LYS 78 OK 97 100 - 97 - 3.7=92, 1.8/3340=17...(17) HB2 ARG 27 - HB3 LYS 78 OK 32 99 - 32 - 1.8/3311=5, 3324/2.8=3...(11) HB2 LYS 65 - HB3 LYS 78 OK 28 100 - 29 - 2921/2.8=3, 3304/1.8=3...(12) HG LEU 76 - HB3 LYS 78 OK 27 73 - 37 - 3.0/3312=5, 3.0/3313=3...(19) HB2 LYS 31 - HB3 LYS 78 OK 27 100 - 27 - 1.8/3311=4, 3324/2.8=3...(10) QB ALA 74 - HB3 LYS 78 OK 21 99 - 22 - 4.4/4238=5, 5730/4.0=4...(7) HG2 GLU 51 - HB3 LYS 78 OK 20 73 - 27 - 3.0/3311=3, 3304/1.8=2...(11) HG3 GLU 51 - HB3 LYS 78 OK 19 71 - 27 - 3.0/3311=3, 3304/1.8=2...(12) HG3 GLU 37 - HB3 LYS 78 OK 17 100 - 16 - 2191=2, 1.8/2185=2...(6) HB2 LYS 91 - HB3 LYS 78 OK 15 98 - 15 - 1.8/3311=2, 3710/2.8=2...(6) HB2 MET 48 - HB3 LYS 78 OK 12 97 - 12 - 2191=2, 3344/3.7=1...(5) QE MET 11 - HB3 LYS 78 OK 12 92 - 13 - 3304/1.8=1, 1155=1 HB2 ARG 28 - HB3 LYS 78 lone 7 100 - 7 - HB3 ARG 28 - HB3 LYS 78 lone 6 89 - 6 - Peak 3315 from cnoeabs.peaks (3.09, 1.87, 33.27 ppm; 5.20 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 78 + HB3 LYS 78 OK 100 100 - 100 - 4.4=100 HE3 LYS 78 + HB3 LYS 78 OK 100 100 - 100 - 4.4=100 HB2 HIS 42 - HB3 LYS 78 lone 9 89 - 9 - 3305/1.8=2, 3295/3.0=1...(6) Peak 3316 from cnoeabs.peaks (3.09, 1.87, 33.27 ppm; 5.20 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 78 + HB3 LYS 78 OK 100 100 - 100 - 4.4=100 HE2 LYS 78 + HB3 LYS 78 OK 100 100 - 100 - 4.4=100 HB2 HIS 42 - HB3 LYS 78 lone 9 87 - 9 - 3305/1.8=2, 3295/3.0=1...(6) Peak 3317 from cnoeabs.peaks (7.20, 1.70, 24.65 ppm; 3.50 A): 3 out of 3 assignments used, quality = 0.97: QE PHE 57 + HG2 LYS 78 OK 78 95 - 83 - 4662=21, 2.2/5826=17...(24) * H LYS 78 + HG2 LYS 78 OK 76 100 - 76 - 4.9=36, 3297/2.8=13...(13) QD PHE 80 + HG2 LYS 78 OK 49 100 - 49 - 3327/1.8=9, 3.8/5826=8...(12) Peak 3318 from cnoeabs.peaks (4.26, 1.70, 24.65 ppm; 4.15 A): 2 out of 7 assignments used, quality = 1.00: * HA LYS 78 + HG2 LYS 78 OK 100 100 - 100 - 3.7=100 HA LEU 87 + HG2 LYS 78 OK 51 95 - 54 - 3328/1.8=8, 3308/2.8=7...(16) HA VAL 52 - HG2 LYS 78 OK 37 92 - 40 - 3328/1.8=6, 3348/2.9=5...(14) HA LEU 85 - HG2 LYS 78 OK 26 100 - 26 - 3328/1.8=4, 3308/2.8=4...(10) HA ASP 53 - HG2 LYS 78 OK 16 85 - 19 - 3.6/5156=3, 3328/1.8=2...(7) HA ALA 89 - HG2 LYS 78 OK 13 100 - 12 - 3328/1.8=2, 3338/2.9=2...(5) HA3 GLY 39 - HG2 LYS 78 lone 7 92 - 7 - 3328/1.8=1, 3338/2.9=1...(5) Peak 3319 from cnoeabs.peaks (1.99, 1.70, 24.65 ppm; 3.57 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LYS 78 + HG2 LYS 78 OK 100 100 - 100 - 2.8=100 HB3 PRO 19 + HG2 LYS 78 OK 48 97 - 50 - 2.3/3320=5, 3329/1.8=4...(26) HB2 PRO 19 + HG2 LYS 78 OK 46 93 - 50 - 2.3/3320=5, 3329/1.8=4...(26) HB3 PRO 81 - HG2 LYS 78 OK 38 73 - 52 - 2.3/3320=6, 2.3/3323=5...(28) HG2 PRO 84 - HG2 LYS 78 OK 37 100 - 37 - 2.3/3320=3, 3329/1.8=3...(15) HG2 GLU 49 - HG2 LYS 78 OK 27 78 - 34 - 1.8/3323=4, 3329/1.8=2...(16) HB3 GLU 49 - HG2 LYS 78 OK 25 73 - 33 - 3.0/3323=3, 1.8/3320=3...(18) HB2 LEU 23 - HG2 LYS 78 OK 24 78 - 31 - ~5815=3, 3.1/5814=3...(17) HB2 GLU 51 - HG2 LYS 78 OK 21 68 - 31 - 2510=2, ~3331=2...(16) HB2 GLU 25 - HG2 LYS 78 OK 15 100 - 15 - 882/4.9=2, 3289/3.7=2...(5) HB2 LEU 34 - HG2 LYS 78 lone 8 100 - 8 - HE3 LYS 68 - HG2 LYS 78 lone 7 99 - 7 - Peak 3320 from cnoeabs.peaks (1.87, 1.70, 24.65 ppm; 3.21 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LYS 78 + HG2 LYS 78 OK 100 100 - 100 - 2.8=100 HG2 PRO 81 + HG2 LYS 78 OK 49 97 - 51 - 3340/2.9=6, 3330/1.8=5...(22) HG3 PRO 19 - HG2 LYS 78 OK 39 100 - 40 - 3330/1.8=4, 3300/2.8=4...(16) HB3 PRO 84 - HG2 LYS 78 OK 29 90 - 33 - 3330/1.8=3, 3300/2.8=3...(10) HB2 GLU 49 - HG2 LYS 78 OK 19 71 - 27 - 3.0/3323=2, 3330/1.8=2...(11) HB3 MET 11 - HG2 LYS 78 OK 16 78 - 20 - 3340/2.9=2, 3330/1.8=2...(7) HB2 MET 11 - HG2 LYS 78 OK 14 73 - 19 - 3340/2.9=2, 3330/1.8=2...(7) HB3 GLU 37 - HG2 LYS 78 OK 13 98 - 13 - 3330/1.8=1, 3350/2.9=1...(4) HB2 GLU 22 - HG2 LYS 78 OK 12 63 - 19 - 3.0/6202=3, 1.8/3323=2...(5) HB ILE 35 - HG2 LYS 78 OK 10 100 - 10 - 3330/1.8=1, 3300/2.8=1 HB3 GLN 58 - HG2 LYS 78 lone 6 81 - 7 - 4.6/4090=1 HB VAL 66 - HG2 LYS 78 lone 2 63 - 3 - Peak 3321 from cnoeabs.peaks (1.70, 1.70, 24.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 78 + HG2 LYS 78 OK 100 100 - 100 Peak 3322 from cnoeabs.peaks (1.46, 1.70, 24.65 ppm; 2.67 A): 1 out of 8 assignments used, quality = 1.00: * HG3 LYS 78 + HG2 LYS 78 OK 100 100 - 100 - 1.8=100 HB3 LEU 76 - HG2 LYS 78 OK 31 99 - 31 - 3302/2.8=3, 3312/2.8=3...(12) HG LEU 79 - HG2 LYS 78 OK 30 85 - 36 - ~5815=4, 2.1/5814=3...(18) HG2 LYS 65 - HG2 LYS 78 OK 15 97 - 16 - 3302/2.8=2, 3312/2.8=2...(6) HG LEU 12 - HG2 LYS 78 OK 14 99 - 14 - 2.1/5814=1, 3312/2.8=1...(6) HD2 LYS 64 - HG2 LYS 78 OK 12 100 - 12 - 5438/2.9=2, 3352/2.9=1...(4) HB3 LYS 64 - HG2 LYS 78 poor 10 90 - 11 - 3342/2.9=1 HB3 ARG 45 - HG2 LYS 78 lone 3 100 - 3 - Peak 3323 from cnoeabs.peaks (1.92, 1.70, 24.65 ppm; 3.50 A): 2 out of 12 assignments used, quality = 1.00: * HD2 LYS 78 + HG2 LYS 78 OK 100 100 - 100 - 2.9=100 HG3 PRO 81 + HG2 LYS 78 OK 56 100 - 56 - 1.8/3320=6, 3303/2.8=6...(25) HB2 LEU 76 - HG2 LYS 78 OK 34 71 - 48 - 1.8/3322=7, 3225/1.8=4...(22) HG3 GLU 49 - HG2 LYS 78 OK 33 99 - 33 - 3333/1.8=4, 3303/2.8=3...(15) HG3 PRO 84 - HG2 LYS 78 OK 22 63 - 35 - 2.3/3320=3, 1.8/3319=3...(16) HB3 GLU 22 - HG2 LYS 78 OK 19 78 - 24 - 3.0/6202=4, 3303/2.8=2...(11) QE MET 48 - HG2 LYS 78 OK 15 97 - 15 - 4864/1.8=3, 2446/2.9=2...(4) HB2 MET 11 - HG2 LYS 78 OK 14 65 - 21 - 1.8/3320=2, 3333/1.8=2...(10) HB2 GLU 33 - HG2 LYS 78 OK 13 78 - 16 - 3.0/4661=3, 3.0/4666=2...(8) HB3 MET 11 - HG2 LYS 78 OK 12 60 - 21 - 1.8/3320=2, 1130/2.9=1...(8) HB VAL 20 - HG2 LYS 78 OK 11 89 - 12 - 2.1/5814=1, 3333/1.8=1...(4) HB VAL 47 - HG2 LYS 78 lone 7 97 - 7 - Peak 3324 from cnoeabs.peaks (1.78, 1.70, 24.65 ppm; 3.40 A): 1 out of 14 assignments used, quality = 1.00: * HD3 LYS 78 + HG2 LYS 78 OK 100 100 - 100 - 2.9=100 HB2 ARG 27 - HG2 LYS 78 OK 39 99 - 40 - 1769=4, 3334/1.8=3...(19) HB2 LYS 31 - HG2 LYS 78 OK 31 100 - 31 - 1931=3, 3334/1.8=3...(15) HG LEU 76 - HG2 LYS 78 OK 29 73 - 39 - 3.0/3322=5, 3334/1.8=3...(20) HB2 LYS 65 - HG2 LYS 78 OK 27 100 - 27 - 2921/1.8=3, 3.0/3322=2...(10) HG2 GLU 51 - HG2 LYS 78 OK 20 73 - 27 - 3.0/2510=2, 3334/1.8=2...(12) HG3 GLU 51 - HG2 LYS 78 OK 19 71 - 27 - 3.0/2510=2, 3334/1.8=2...(12) HB2 LYS 91 - HG2 LYS 78 OK 18 98 - 18 - 3710=2, 3334/1.8=2...(6) QB ALA 74 - HG2 LYS 78 OK 15 99 - 15 - 5730/4.9=3, 3334/1.8=2...(6) HG3 GLU 37 - HG2 LYS 78 OK 13 100 - 13 - 3314/2.8=1, 3334/1.8=1...(5) HB2 MET 48 - HG2 LYS 78 OK 12 97 - 12 - 3344/2.9=1, 3334/1.8=1 QE MET 11 - HG2 LYS 78 OK 10 92 - 11 - 3334/1.8=1 HB2 ARG 28 - HG2 LYS 78 lone 7 100 - 7 - HB3 ARG 28 - HG2 LYS 78 lone 6 89 - 6 - Peak 3325 from cnoeabs.peaks (3.09, 1.70, 24.65 ppm; 3.73 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 78 + HG2 LYS 78 OK 100 100 - 100 - 3.5=100 HE3 LYS 78 + HG2 LYS 78 OK 100 100 - 100 - 3.5=100 HB2 HIS 42 - HG2 LYS 78 lone 5 89 - 5 - Peak 3326 from cnoeabs.peaks (3.09, 1.70, 24.65 ppm; 3.73 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 78 + HG2 LYS 78 OK 100 100 - 100 - 3.5=100 HE2 LYS 78 + HG2 LYS 78 OK 100 100 - 100 - 3.5=100 HB2 HIS 42 - HG2 LYS 78 lone 5 87 - 5 - Peak 3327 from cnoeabs.peaks (7.20, 1.46, 24.65 ppm; 3.76 A): 3 out of 3 assignments used, quality = 0.99: * H LYS 78 + HG3 LYS 78 OK 84 100 - 84 - 4.9=45, 3317/1.8=15...(16) QE PHE 57 + HG3 LYS 78 OK 81 95 - 85 - 4662/1.8=19, 4660/2.8=15...(23) QD PHE 80 + HG3 LYS 78 OK 60 100 - 60 - 3317/1.8=10, 3307/2.8=8...(18) Peak 3328 from cnoeabs.peaks (4.26, 1.46, 24.65 ppm; 3.82 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 78 + HG3 LYS 78 OK 100 100 - 100 - 3.7=100 HA LEU 87 - HG3 LYS 78 OK 45 95 - 48 - 3318/1.8=7, 3298/2.8=6...(15) HA VAL 52 - HG3 LYS 78 OK 30 92 - 33 - 3318/1.8=5, 3348/2.9=4...(13) HA LEU 85 - HG3 LYS 78 OK 22 100 - 22 - 3308/2.8=4, 3298/2.8=3...(8) HA ASP 53 - HG3 LYS 78 OK 12 85 - 14 - 3318/1.8=2, 3298/2.8=2...(7) HA ALA 89 - HG3 LYS 78 OK 11 100 - 11 - 3318/1.8=2, 3338/2.9=2...(5) HA3 GLY 39 - HG3 LYS 78 lone 6 92 - 6 - 3318/1.8=1 Peak 3329 from cnoeabs.peaks (1.99, 1.46, 24.65 ppm; 3.66 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LYS 78 + HG3 LYS 78 OK 100 100 - 100 - 2.8=100 HB3 PRO 19 + HG3 LYS 78 OK 52 97 - 54 - 2.3/3330=5, 3319/1.8=5...(27) HB2 PRO 19 + HG3 LYS 78 OK 50 93 - 53 - 2.3/3330=5, 3319/1.8=4...(27) HB3 PRO 81 - HG3 LYS 78 OK 40 73 - 54 - 2.3/3330=6, 2.3/3333=6...(28) HG2 PRO 84 - HG3 LYS 78 OK 39 100 - 39 - 3319/1.8=4, 2.3/3330=3...(16) HB2 LEU 23 - HG3 LYS 78 OK 28 78 - 36 - 3.1/5815=6, 3.0/4224=2...(19) HG2 GLU 49 - HG3 LYS 78 OK 28 78 - 35 - 1.8/3333=4, 3319/1.8=3...(16) HB3 GLU 49 - HG3 LYS 78 OK 26 73 - 35 - 3.0/3333=3, 1.8/3330=3...(18) HB2 GLU 51 - HG3 LYS 78 OK 20 68 - 30 - 1.8/3331=3, 2510/1.8=2...(14) HB2 GLU 25 - HG3 LYS 78 OK 16 100 - 16 - 882/4.9=2, 3289/3.7=2...(6) HE3 LYS 68 - HG3 LYS 78 lone 8 99 - 8 - 3.7/5815=1 HB2 LEU 34 - HG3 LYS 78 lone 8 100 - 8 - Peak 3330 from cnoeabs.peaks (1.87, 1.46, 24.65 ppm; 3.33 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LYS 78 + HG3 LYS 78 OK 100 100 - 100 - 2.8=100 HG2 PRO 81 + HG3 LYS 78 OK 52 97 - 54 - 3340/2.9=6, 3320/1.8=6...(24) HG3 PRO 19 - HG3 LYS 78 OK 42 100 - 43 - 3320/1.8=5, 3300/2.8=4...(16) HB3 PRO 84 - HG3 LYS 78 OK 32 90 - 35 - 3320/1.8=4, 3300/2.8=3...(11) HB2 GLU 49 - HG3 LYS 78 OK 21 71 - 29 - 3.0/3333=2, 3320/1.8=2...(12) HB3 MET 11 - HG3 LYS 78 OK 17 78 - 22 - 3340/2.9=2, 3320/1.8=2...(9) HB2 MET 11 - HG3 LYS 78 OK 16 73 - 21 - 3340/2.9=2, 3350/2.9=2...(9) HB3 GLU 37 - HG3 LYS 78 OK 14 98 - 14 - 3320/1.8=2, 3350/2.9=1...(4) HB2 GLU 22 - HG3 LYS 78 OK 14 63 - 22 - ~6202=3, 1.8/3333=2...(9) HB ILE 35 - HG3 LYS 78 OK 11 100 - 11 - 3320/1.8=1, 3300/2.8=1 HB3 GLN 58 - HG3 LYS 78 lone 6 81 - 8 - 4.6/4091=1 HB VAL 66 - HG3 LYS 78 lone 2 63 - 4 - Peak 3331 from cnoeabs.peaks (1.70, 1.46, 24.65 ppm; 2.64 A): 1 out of 9 assignments used, quality = 1.00: * HG2 LYS 78 + HG3 LYS 78 OK 100 100 - 100 - 1.8=100 HB2 LEU 30 - HG3 LYS 78 OK 22 97 - 23 - 3.1/5815=3, 3301/2.8=2...(8) HB3 ARG 27 - HG3 LYS 78 OK 22 100 - 22 - 3351/2.9=2, 3341/2.9=2...(8) HB3 LYS 31 - HG3 LYS 78 OK 17 100 - 17 - 3351/2.9=2, 3341/2.9=2...(6) HB3 GLU 51 - HG3 LYS 78 OK 15 87 - 17 - 3301/2.8=2, 3311/2.8=1...(6) HB3 LYS 91 - HG3 LYS 78 lone 9 93 - 10 - 3719/2.9=1 HB3 LYS 17 - HG3 LYS 78 lone 6 85 - 7 - HB2 LYS 17 - HG3 LYS 78 lone 6 83 - 7 - HD3 LYS 31 - HG3 LYS 78 lone 3 63 - 5 - Peak 3332 from cnoeabs.peaks (1.46, 1.46, 24.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 78 + HG3 LYS 78 OK 100 100 - 100 Peak 3333 from cnoeabs.peaks (1.92, 1.46, 24.65 ppm; 3.46 A): 2 out of 12 assignments used, quality = 1.00: * HD2 LYS 78 + HG3 LYS 78 OK 100 100 - 100 - 2.9=100 HG3 PRO 81 + HG3 LYS 78 OK 55 100 - 55 - 1.8/3330=6, 3303/2.8=6...(25) HB2 LEU 76 - HG3 LYS 78 OK 37 71 - 52 - 3225=5, ~3322=4...(24) HG3 GLU 49 - HG3 LYS 78 OK 32 99 - 33 - 3323/1.8=3, 3303/2.8=3...(15) HG3 PRO 84 - HG3 LYS 78 OK 22 63 - 35 - 2.3/3330=3, 1.8/3329=3...(16) HB3 GLU 22 - HG3 LYS 78 OK 19 78 - 24 - ~6202=3, 3303/2.8=2...(11) QE MET 48 - HG3 LYS 78 OK 18 97 - 18 - 4864=3, 2446/2.9=2...(5) HB2 MET 11 - HG3 LYS 78 OK 14 65 - 22 - 1.8/3330=2, 3323/1.8=1...(11) HB3 MET 11 - HG3 LYS 78 OK 13 60 - 21 - 1.8/3330=2, 1130/2.9=1...(7) HB2 GLU 33 - HG3 LYS 78 OK 12 78 - 15 - ~4661=2, 3303/2.8=1...(8) HB VAL 20 - HG3 LYS 78 OK 11 89 - 12 - 3323/1.8=1, 3313/2.8=1 HB VAL 47 - HG3 LYS 78 lone 7 97 - 7 - Peak 3334 from cnoeabs.peaks (1.78, 1.46, 24.65 ppm; 3.73 A): 1 out of 14 assignments used, quality = 1.00: * HD3 LYS 78 + HG3 LYS 78 OK 100 100 - 100 - 2.9=100 HB2 ARG 27 - HG3 LYS 78 OK 40 99 - 41 - 1.8/3331=5, 3324/1.8=5...(19) HB2 LYS 65 - HG3 LYS 78 OK 39 100 - 39 - 2921=5, 3324/1.8=3...(17) HG LEU 76 - HG3 LYS 78 OK 38 73 - 51 - 2.1/3246=5, 3.0/3225=5...(27) HB2 LYS 31 - HG3 LYS 78 OK 34 100 - 34 - 1.8/3331=4, 3324/1.8=4...(14) HG2 GLU 51 - HG3 LYS 78 OK 23 73 - 31 - 3.0/3331=3, 3324/1.8=2...(16) HG3 GLU 51 - HG3 LYS 78 OK 22 71 - 31 - 3.0/3331=3, 3324/1.8=2...(16) QB ALA 74 - HG3 LYS 78 OK 21 99 - 22 - 5730/4.9=4, 4.4/5766=2...(8) HB2 LYS 91 - HG3 LYS 78 OK 19 98 - 19 - 3710/1.8=2, 1.8/3331=2...(10) HB2 MET 48 - HG3 LYS 78 OK 16 97 - 16 - 4.0/4864=2, 3344/2.9=2...(4) HG3 GLU 37 - HG3 LYS 78 OK 16 100 - 16 - 3314/2.8=2, 3324/1.8=2...(6) QE MET 11 - HG3 LYS 78 OK 13 92 - 14 - 3324/1.8=1, 4.3/3330=1...(4) HB2 ARG 28 - HG3 LYS 78 lone 7 100 - 7 - HB3 ARG 28 - HG3 LYS 78 lone 6 89 - 7 - Peak 3335 from cnoeabs.peaks (3.09, 1.46, 24.65 ppm; 3.63 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 78 + HG3 LYS 78 OK 100 100 - 100 - 3.5=100 HE3 LYS 78 + HG3 LYS 78 OK 100 100 - 100 - 3.5=100 HB2 HIS 42 - HG3 LYS 78 lone 5 89 - 5 - Peak 3336 from cnoeabs.peaks (3.09, 1.46, 24.65 ppm; 3.63 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 78 + HG3 LYS 78 OK 100 100 - 100 - 3.5=100 HE2 LYS 78 + HG3 LYS 78 OK 100 100 - 100 - 3.5=100 HB2 HIS 42 - HG3 LYS 78 lone 5 87 - 5 - Peak 3337 from cnoeabs.peaks (7.20, 1.92, 28.25 ppm; 3.93 A): 3 out of 3 assignments used, quality = 0.98: * H LYS 78 + HD2 LYS 78 OK 80 100 - 80 - 6.2=26, 2.9/3338=16...(14) QE PHE 57 + HD2 LYS 78 OK 78 95 - 83 - 4662/2.9=16, 2.2/5828=15...(23) QD PHE 80 + HD2 LYS 78 OK 56 100 - 56 - 3347/1.8=10, 3.8/5828=9...(14) Peak 3338 from cnoeabs.peaks (4.26, 1.92, 28.25 ppm; 3.42 A): 4 out of 7 assignments used, quality = 0.90: * HA LYS 78 + HD2 LYS 78 OK 79 100 - 79 - 4.7=40, 3348/1.8=15...(21) HA LEU 87 + HD2 LYS 78 OK 31 95 - 33 - 3348/1.8=6, 3328/2.9=5...(12) HA VAL 52 + HD2 LYS 78 OK 23 92 - 25 - 3348/1.8=5, 3328/2.9=3...(11) HA LEU 85 + HD2 LYS 78 OK 15 100 - 15 - 3348/1.8=3, 3328/2.9=2...(5) HA ASP 53 - HD2 LYS 78 poor 9 85 - 10 - 3348/1.8=2, 3318/2.9=1...(5) HA ALA 89 - HD2 LYS 78 lone 8 100 - 8 - 3348/1.8=2, 3328/2.9=1 HA3 GLY 39 - HD2 LYS 78 lone 5 92 - 5 - Peak 3339 from cnoeabs.peaks (1.99, 1.92, 28.25 ppm; 5.72 A): 5 out of 12 assignments used, quality = 1.00: * HB2 LYS 78 + HD2 LYS 78 OK 100 100 - 100 - 3.7=100 HB3 PRO 19 + HD2 LYS 78 OK 63 97 - 65 - ~5821=8, ~5822=7...(23) HB2 PRO 19 + HD2 LYS 78 OK 60 93 - 64 - ~5821=8, ~5822=7...(23) HB3 PRO 81 + HD2 LYS 78 OK 51 73 - 69 - 2.3/3340=9, ~3350=7...(26) HG2 PRO 84 + HD2 LYS 78 OK 50 100 - 50 - 3319/2.9=5, 3329/2.9=5...(20) HB2 LEU 23 - HD2 LYS 78 OK 42 78 - 54 - ~5816=8, 3.1/5817=8...(18) HG2 GLU 49 - HD2 LYS 78 OK 41 78 - 53 - ~3323=4, ~3333=4...(24) HB3 GLU 49 - HD2 LYS 78 OK 38 73 - 52 - 1.8/2462=4, 3.0/2474=3...(27) HB2 GLU 51 - HD2 LYS 78 OK 29 68 - 42 - 1.8/3341=4, ~3351=4...(24) HB2 GLU 25 - HD2 LYS 78 OK 22 100 - 22 - 882/6.2=4, 3289/4.7=3...(9) HE3 LYS 68 - HD2 LYS 78 OK 18 99 - 18 - 3.7/5551=2, 3.7/5550=1...(7) HB2 LEU 34 - HD2 LYS 78 OK 14 100 - 13 - 1.8/6035=1, 3319/2.9=1 Peak 3340 from cnoeabs.peaks (1.87, 1.92, 28.25 ppm; 2.50 A): 5 out of 12 assignments used, quality = 0.80: * HB3 LYS 78 + HD2 LYS 78 OK 57 100 - 57 - 3.7=32, 3350/1.8=8...(10) HG2 PRO 81 + HD2 LYS 78 OK 29 97 - 30 - 3488=5, 3350/1.8=4...(13) HG3 PRO 19 + HD2 LYS 78 OK 16 100 - 16 - 3350/1.8=3, 3320/2.9=2...(4) HB3 PRO 84 + HD2 LYS 78 OK 13 90 - 14 - 3350/1.8=2, 3320/2.9=1...(4) HB2 GLU 49 + HD2 LYS 78 OK 10 71 - 14 - 1.8/2468=2, 3350/1.8=2...(4) HB3 MET 11 - HD2 LYS 78 poor 9 78 - 12 - 3350/1.8=2 HB2 MET 11 - HD2 LYS 78 poor 8 73 - 11 - 3350/1.8=1 HB3 GLU 37 - HD2 LYS 78 lone 6 98 - 6 - 3350/1.8=1 HB2 GLU 22 - HD2 LYS 78 lone 5 63 - 8 - HB ILE 35 - HD2 LYS 78 lone 4 100 - 4 - HB3 GLN 58 - HD2 LYS 78 lone 2 81 - 3 - HB VAL 66 - HD2 LYS 78 lone 1 63 - 1 - Peak 3341 from cnoeabs.peaks (1.70, 1.92, 28.25 ppm; 3.22 A): 1 out of 9 assignments used, quality = 1.00: * HG2 LYS 78 + HD2 LYS 78 OK 100 100 - 100 - 2.9=100 HB3 ARG 27 - HD2 LYS 78 OK 31 100 - 31 - 3351/1.8=5, 1.8/3344=4...(11) HB2 LEU 30 - HD2 LYS 78 OK 29 97 - 30 - 3351/1.8=4, 3.1/5817=3...(14) HB3 LYS 31 - HD2 LYS 78 OK 26 100 - 26 - 3351/1.8=4, 1.8/3344=3...(11) HB3 GLU 51 - HD2 LYS 78 OK 20 87 - 23 - 3351/1.8=3, 3331/2.9=2...(7) HB3 LYS 91 - HD2 LYS 78 OK 13 93 - 14 - 3351/1.8=2, 1.8/3344=2...(5) HB3 LYS 17 - HD2 LYS 78 OK 11 85 - 12 - 3351/1.8=1, 1.8/6124=1, 6124=1 HB2 LYS 17 - HD2 LYS 78 OK 10 83 - 12 - 3351/1.8=1, 1.8/6124=1, 6124=1 HD3 LYS 31 - HD2 LYS 78 lone 6 63 - 9 - 3.6/3344=2, 3.6/6124=1 Peak 3342 from cnoeabs.peaks (1.46, 1.92, 28.25 ppm; 3.50 A): 2 out of 8 assignments used, quality = 1.00: * HG3 LYS 78 + HD2 LYS 78 OK 100 100 - 100 - 2.9=100 HB3 LEU 76 + HD2 LYS 78 OK 48 99 - 49 - 3352/1.8=6, 3322/2.9=5...(25) HG LEU 79 - HD2 LYS 78 OK 43 85 - 51 - 2.1/5817=7, ~5849=6...(21) HD2 LYS 64 - HD2 LYS 78 OK 27 100 - 27 - 5438=4, 1.8/5439=3...(11) HG LEU 12 - HD2 LYS 78 OK 26 99 - 26 - 3352/1.8=3, ~4269=3...(13) HG2 LYS 65 - HD2 LYS 78 OK 24 97 - 25 - 2939/1.8=3, 3322/2.9=2...(7) HB3 LYS 64 - HD2 LYS 78 OK 22 90 - 24 - 5431=3, 3.8/5438=2...(11) HB3 ARG 45 - HD2 LYS 78 lone 5 100 - 5 - Peak 3343 from cnoeabs.peaks (1.92, 1.92, 28.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 78 + HD2 LYS 78 OK 100 100 - 100 Peak 3344 from cnoeabs.peaks (1.78, 1.92, 28.25 ppm; 2.40 A): 1 out of 14 assignments used, quality = 1.00: * HD3 LYS 78 + HD2 LYS 78 OK 100 100 - 100 - 1.8=100 HB2 ARG 27 - HD2 LYS 78 OK 16 99 - 16 - 1.8/3341=2, ~3351=2...(5) HB2 LYS 31 - HD2 LYS 78 OK 12 100 - 12 - 1.8/3341=2, ~3351=1, 3324/2.9=1 HG LEU 76 - HD2 LYS 78 OK 12 73 - 17 - 3.0/3342=2, 3324/2.9=1...(4) HB2 LYS 65 - HD2 LYS 78 OK 11 100 - 11 - 2921/2.9=1 HB2 MET 48 - HD2 LYS 78 lone 7 97 - 7 - HB2 LYS 91 - HD2 LYS 78 lone 7 98 - 7 - 1.8/3341=1 HG2 GLU 51 - HD2 LYS 78 lone 6 73 - 9 - 3.0/3341=1 QB ALA 74 - HD2 LYS 78 lone 6 99 - 6 - HG3 GLU 51 - HD2 LYS 78 lone 6 71 - 9 - 3.0/3341=1 HG3 GLU 37 - HD2 LYS 78 lone 6 100 - 6 - QE MET 11 - HD2 LYS 78 lone 5 92 - 5 - HB2 ARG 28 - HD2 LYS 78 lone 2 100 - 2 - HB3 ARG 28 - HD2 LYS 78 lone 2 89 - 2 - Peak 3345 from cnoeabs.peaks (3.09, 1.92, 28.25 ppm; 3.45 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 78 + HD2 LYS 78 OK 100 100 - 100 - 2.9=100 HE3 LYS 78 + HD2 LYS 78 OK 100 100 - 100 - 2.9=100 HB2 HIS 42 - HD2 LYS 78 lone 5 89 - 5 - Peak 3346 from cnoeabs.peaks (3.09, 1.92, 28.25 ppm; 3.45 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 78 + HD2 LYS 78 OK 100 100 - 100 - 2.9=100 HE2 LYS 78 + HD2 LYS 78 OK 100 100 - 100 - 2.9=100 HB2 HIS 42 - HD2 LYS 78 lone 5 87 - 5 - Peak 3347 from cnoeabs.peaks (7.20, 1.78, 28.25 ppm; 3.86 A): 3 out of 3 assignments used, quality = 0.98: * H LYS 78 + HD3 LYS 78 OK 79 100 - 79 - 6.2=24, 2.9/3348=14...(16) QE PHE 57 + HD3 LYS 78 OK 79 95 - 84 - 2.2/5829=17, 4662/2.9=15...(23) QD PHE 80 + HD3 LYS 78 OK 58 100 - 58 - 3337/1.8=9, 3.8/5829=9...(14) Peak 3348 from cnoeabs.peaks (4.26, 1.78, 28.25 ppm; 3.56 A): 5 out of 7 assignments used, quality = 0.93: * HA LYS 78 + HD3 LYS 78 OK 82 100 - 82 - 4.7=45, 3338/1.8=18...(21) HA LEU 87 + HD3 LYS 78 OK 34 95 - 36 - 3338/1.8=7, 3328/2.9=5...(12) HA VAL 52 + HD3 LYS 78 OK 26 92 - 28 - 3338/1.8=5, 3328/2.9=3...(14) HA LEU 85 + HD3 LYS 78 OK 17 100 - 17 - 3338/1.8=3, 3328/2.9=3...(5) HA ASP 53 + HD3 LYS 78 OK 11 85 - 13 - 3338/1.8=2, 3318/2.9=1...(5) HA ALA 89 - HD3 LYS 78 lone 9 100 - 9 - 3338/1.8=2, 3328/2.9=1...(5) HA3 GLY 39 - HD3 LYS 78 lone 5 92 - 5 - 3338/1.8=1 Peak 3349 from cnoeabs.peaks (1.99, 1.78, 28.25 ppm; 3.91 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LYS 78 + HD3 LYS 78 OK 100 100 - 100 - 3.7=100 HB3 PRO 19 - HD3 LYS 78 OK 40 97 - 41 - 2.3/3350=5, 3329/2.9=4...(18) HB2 PRO 19 - HD3 LYS 78 OK 38 93 - 41 - 2.3/3350=5, 3329/2.9=4...(18) HB3 PRO 81 - HD3 LYS 78 OK 36 73 - 50 - 2.3/3350=7, 2.3/3353=6...(25) HG2 PRO 84 - HD3 LYS 78 OK 33 100 - 33 - 2.3/3350=4, 3319/2.9=3...(15) HG2 GLU 49 - HD3 LYS 78 OK 25 78 - 32 - 1.8/3353=3, 2474/1.8=3...(12) HB3 GLU 49 - HD3 LYS 78 OK 24 73 - 33 - 1.8/3350=3, 3.0/3353=3...(16) HB2 LEU 23 - HD3 LYS 78 OK 24 78 - 30 - 3.1/5816=6, ~5815=3...(13) HB2 GLU 51 - HD3 LYS 78 OK 17 68 - 25 - 1.8/3351=3, ~3341=2...(10) HB2 GLU 25 - HD3 LYS 78 OK 12 100 - 12 - 882/6.2=2, 3289/4.7=1...(6) HE3 LYS 68 - HD3 LYS 78 lone 8 99 - 8 - 3.7/5816=1 HB2 LEU 34 - HD3 LYS 78 lone 7 100 - 7 - Peak 3350 from cnoeabs.peaks (1.87, 1.78, 28.25 ppm; 2.96 A): 8 out of 12 assignments used, quality = 0.95: * HB3 LYS 78 + HD3 LYS 78 OK 76 100 - 76 - 3.7=53, 3340/1.8=14...(16) HG2 PRO 81 + HD3 LYS 78 OK 36 97 - 37 - 3340/1.8=7, 1.8/3353=5...(13) HG3 PRO 19 + HD3 LYS 78 OK 24 100 - 24 - 3340/1.8=4, 3320/2.9=3...(10) HB3 PRO 84 + HD3 LYS 78 OK 20 90 - 22 - 3340/1.8=3, 3320/2.9=2...(8) HB3 MET 11 + HD3 LYS 78 OK 14 78 - 18 - 3340/1.8=2, 1.8/1137=2...(6) HB2 GLU 49 + HD3 LYS 78 OK 14 71 - 20 - 3340/1.8=3, 3.0/3353=2...(8) HB2 MET 11 + HD3 LYS 78 OK 13 73 - 17 - 3340/1.8=2, 1.8/1137=2...(5) HB3 GLU 37 + HD3 LYS 78 OK 11 98 - 11 - 2181=2, 3340/1.8=1 HB2 GLU 22 - HD3 LYS 78 poor 7 63 - 11 - ~6202=1, 1.8/3353=1, 3340/1.8=1 HB ILE 35 - HD3 LYS 78 lone 6 100 - 6 - 3340/1.8=1 HB3 GLN 58 - HD3 LYS 78 lone 4 81 - 5 - HB VAL 66 - HD3 LYS 78 lone 2 63 - 3 - Peak 3351 from cnoeabs.peaks (1.70, 1.78, 28.25 ppm; 3.20 A): 1 out of 9 assignments used, quality = 1.00: * HG2 LYS 78 + HD3 LYS 78 OK 100 100 - 100 - 2.9=100 HB3 ARG 27 - HD3 LYS 78 OK 36 100 - 36 - 1776=4, 3341/1.8=4...(16) HB2 LEU 30 - HD3 LYS 78 OK 29 97 - 30 - 3341/1.8=4, 3.1/5816=4...(13) HB3 LYS 31 - HD3 LYS 78 OK 28 100 - 28 - 3341/1.8=4, 3331/2.9=3...(14) HB3 GLU 51 - HD3 LYS 78 OK 19 87 - 23 - 3341/1.8=3, 3331/2.9=2...(8) HB3 LYS 91 - HD3 LYS 78 OK 15 93 - 16 - 3719=2, 3341/1.8=2...(5) HB3 LYS 17 - HD3 LYS 78 OK 10 85 - 12 - 3341/1.8=2 HB2 LYS 17 - HD3 LYS 78 poor 10 83 - 11 - 3341/1.8=1 HD3 LYS 31 - HD3 LYS 78 poor 6 63 - 10 - 3.0/1960=1, 3.0/1950=1 Peak 3352 from cnoeabs.peaks (1.46, 1.78, 28.25 ppm; 3.61 A): 3 out of 8 assignments used, quality = 1.00: * HG3 LYS 78 + HD3 LYS 78 OK 100 100 - 100 - 2.9=100 HB3 LEU 76 + HD3 LYS 78 OK 51 99 - 52 - 3342/1.8=6, 3322/2.9=5...(28) HG LEU 79 + HD3 LYS 78 OK 48 85 - 56 - 2.1/5816=8, ~5849=6...(22) HG2 LYS 65 - HD3 LYS 78 OK 30 97 - 32 - 2939=5, 3342/1.8=3...(13) HG LEU 12 - HD3 LYS 78 OK 27 99 - 27 - 3342/1.8=3, ~4269=3...(13) HD2 LYS 64 - HD3 LYS 78 OK 22 100 - 22 - 5438/1.8=4, ~5439=2...(7) HB3 LYS 64 - HD3 LYS 78 OK 19 90 - 21 - 3342/1.8=3, 3322/2.9=2...(9) HB3 ARG 45 - HD3 LYS 78 lone 5 100 - 5 - Peak 3353 from cnoeabs.peaks (1.92, 1.78, 28.25 ppm; 2.41 A): 1 out of 12 assignments used, quality = 1.00: * HD2 LYS 78 + HD3 LYS 78 OK 100 100 - 100 - 1.8=100 HG3 PRO 81 - HD3 LYS 78 OK 25 100 - 25 - 1.8/3350=3, ~3340=2...(11) HB2 LEU 76 - HD3 LYS 78 OK 15 71 - 21 - 1.8/3352=2, ~3342=2...(5) HG3 GLU 49 - HD3 LYS 78 OK 13 99 - 13 - 3323/2.9=1, 3333/2.9=1...(4) QE MET 48 - HD3 LYS 78 lone 8 97 - 8 - 2446=1, 4864/2.9=1 HG3 PRO 84 - HD3 LYS 78 poor 8 63 - 13 - 2.3/3350=2, 1.8/3349=1 HB2 MET 11 - HD3 LYS 78 lone 6 65 - 9 - 1.8/3350=1 HB3 GLU 22 - HD3 LYS 78 lone 6 78 - 7 - HB3 MET 11 - HD3 LYS 78 lone 5 60 - 9 - 1.8/3350=1 HB VAL 20 - HD3 LYS 78 lone 4 89 - 4 - HB2 GLU 33 - HD3 LYS 78 lone 4 78 - 5 - HB VAL 47 - HD3 LYS 78 lone 3 97 - 3 - Peak 3354 from cnoeabs.peaks (1.78, 1.78, 28.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 78 + HD3 LYS 78 OK 100 100 - 100 Peak 3355 from cnoeabs.peaks (3.09, 1.78, 28.25 ppm; 3.44 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 78 + HD3 LYS 78 OK 100 100 - 100 - 2.9=100 HE3 LYS 78 + HD3 LYS 78 OK 100 100 - 100 - 2.9=100 HB2 HIS 42 - HD3 LYS 78 lone 5 89 - 5 - Peak 3356 from cnoeabs.peaks (3.09, 1.78, 28.25 ppm; 3.44 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 78 + HD3 LYS 78 OK 100 100 - 100 - 2.9=100 HE2 LYS 78 + HD3 LYS 78 OK 100 100 - 100 - 2.9=100 HB2 HIS 42 - HD3 LYS 78 lone 5 87 - 5 - Peak 3357 from cnoeabs.peaks (7.20, 3.09, 42.21 ppm; 4.53 A): 6 out of 6 assignments used, quality = 1.00: * H LYS 78 + HE2 LYS 78 OK 81 100 - 81 - 7.2=24, 3337/2.9=14...(15) H LYS 78 + HE3 LYS 78 OK 81 100 - 81 - 7.2=24, 3337/2.9=14...(15) QE PHE 57 + HE2 LYS 78 OK 76 95 - 80 - 4662/3.5=17, 4660/4.4=14...(16) QE PHE 57 + HE3 LYS 78 OK 76 94 - 80 - 4662/3.5=17, 4660/4.4=14...(16) QD PHE 80 + HE2 LYS 78 OK 54 100 - 54 - 3347/2.9=10, 3337/2.9=10...(11) QD PHE 80 + HE3 LYS 78 OK 54 100 - 54 - 3347/2.9=10, 3337/2.9=10...(11) Peak 3358 from cnoeabs.peaks (4.26, 3.09, 42.21 ppm; 4.93 A): 2 out of 14 assignments used, quality = 1.00: * HA LYS 78 + HE2 LYS 78 OK 93 100 - 93 - 5.7=64, 3338/2.9=21...(20) HA LYS 78 + HE3 LYS 78 OK 93 100 - 93 - 5.7=64, 3338/2.9=21...(20) HA LEU 87 - HE2 LYS 78 OK 43 95 - 46 - 3338/2.9=8, 3348/2.9=8...(10) HA LEU 87 - HE3 LYS 78 OK 43 94 - 46 - 3338/2.9=8, 3348/2.9=8...(10) HA VAL 52 - HE2 LYS 78 OK 33 92 - 36 - 3348/2.9=6, 3338/2.9=6...(10) HA VAL 52 - HE3 LYS 78 OK 33 92 - 36 - 3348/2.9=6, 3338/2.9=6...(10) HA LEU 85 - HE2 LYS 78 OK 24 100 - 24 - 3338/2.9=4, 3348/2.9=4...(7) HA LEU 85 - HE3 LYS 78 OK 24 100 - 24 - 3338/2.9=4, 3348/2.9=4...(7) HA ASP 53 - HE2 LYS 78 OK 15 85 - 17 - 3348/2.9=3, 3338/2.9=2...(7) HA ASP 53 - HE3 LYS 78 OK 15 85 - 17 - 3348/2.9=3, 3338/2.9=2...(7) HA ALA 89 - HE2 LYS 78 OK 13 100 - 13 - 3338/2.9=2, 3348/2.9=2...(6) HA ALA 89 - HE3 LYS 78 OK 13 100 - 13 - 3338/2.9=2, 3348/2.9=2...(6) HA3 GLY 39 - HE2 LYS 78 lone 8 92 - 8 - 3338/2.9=1, 3348/2.9=1...(4) HA3 GLY 39 - HE3 LYS 78 lone 8 92 - 8 - 3338/2.9=1, 3348/2.9=1...(4) Peak 3359 from cnoeabs.peaks (1.99, 3.09, 42.21 ppm; 4.56 A): 2 out of 24 assignments used, quality = 1.00: * HB2 LYS 78 + HE2 LYS 78 OK 100 100 - 100 - 4.4=100 HB2 LYS 78 + HE3 LYS 78 OK 100 100 - 100 - 4.4=100 HB3 PRO 81 - HE2 LYS 78 OK 34 73 - 47 - ~3340=5, ~3350=4...(22) HB3 PRO 81 - HE3 LYS 78 OK 34 73 - 47 - ~3340=5, ~3350=4...(22) HB3 PRO 19 - HE2 LYS 78 OK 34 97 - 35 - 3329/3.5=4, 3319/3.5=4...(15) HB3 PRO 19 - HE3 LYS 78 OK 34 97 - 35 - 3329/3.5=4, 3319/3.5=4...(15) HG2 PRO 84 - HE2 LYS 78 OK 32 100 - 32 - 3349/2.9=3, 3319/3.5=3...(14) HG2 PRO 84 - HE3 LYS 78 OK 32 100 - 32 - 3349/2.9=3, 3319/3.5=3...(14) HB2 PRO 19 - HE2 LYS 78 OK 32 93 - 34 - 3329/3.5=4, 3319/3.5=4...(15) HB2 PRO 19 - HE3 LYS 78 OK 32 93 - 34 - 3329/3.5=4, 3319/3.5=4...(15) HG2 GLU 49 - HE2 LYS 78 OK 23 78 - 29 - 3349/2.9=3, 2474/2.9=3...(17) HG2 GLU 49 - HE3 LYS 78 OK 23 78 - 29 - 3349/2.9=3, 2474/2.9=3...(17) HB2 LEU 23 - HE2 LYS 78 OK 22 78 - 29 - ~5816=4, ~4479=3...(12) HB2 LEU 23 - HE3 LYS 78 OK 22 78 - 29 - ~5816=4, ~4479=3...(12) HB3 GLU 49 - HE2 LYS 78 OK 22 73 - 30 - 3349/2.9=3, 2468/2.9=2...(20) HB3 GLU 49 - HE3 LYS 78 OK 22 73 - 30 - 3349/2.9=3, 2468/2.9=2...(20) HB2 GLU 51 - HE2 LYS 78 OK 17 68 - 25 - ~3341=2, ~3351=2...(13) HB2 GLU 51 - HE3 LYS 78 OK 17 68 - 25 - ~3341=2, ~3351=2...(13) HB2 GLU 25 - HE2 LYS 78 OK 10 100 - 10 - 882/7.2=2, 3289/5.7=1...(6) HB2 GLU 25 - HE3 LYS 78 OK 10 100 - 10 - 882/7.2=2, 3289/5.7=1...(6) HE3 LYS 68 - HE2 LYS 78 lone 8 99 - 8 - HE3 LYS 68 - HE3 LYS 78 lone 8 99 - 8 - HB2 LEU 34 - HE2 LYS 78 lone 6 100 - 6 - HB2 LEU 34 - HE3 LYS 78 lone 6 100 - 6 - Peak 3360 from cnoeabs.peaks (1.87, 3.09, 42.21 ppm; 3.93 A): 2 out of 24 assignments used, quality = 0.99: * HB3 LYS 78 + HE2 LYS 78 OK 89 100 - 89 - 4.4=71, 3340/2.9=15...(17) HB3 LYS 78 + HE3 LYS 78 OK 89 100 - 89 - 4.4=71, 3340/2.9=15...(17) HG2 PRO 81 - HE2 LYS 78 OK 42 97 - 44 - 3340/2.9=8, 3350/2.9=6...(18) HG2 PRO 81 - HE3 LYS 78 OK 42 97 - 44 - 3340/2.9=8, 3350/2.9=6...(18) HG3 PRO 19 - HE3 LYS 78 OK 28 100 - 28 - 3340/2.9=4, 3350/2.9=4...(11) HG3 PRO 19 - HE2 LYS 78 OK 28 100 - 28 - 3340/2.9=4, 3350/2.9=4...(11) HB3 PRO 84 - HE2 LYS 78 OK 25 90 - 27 - 3340/2.9=3, 3350/2.9=3...(10) HB3 PRO 84 - HE3 LYS 78 OK 25 90 - 27 - 3340/2.9=3, 3350/2.9=3...(10) HB3 MET 11 - HE2 LYS 78 OK 17 78 - 22 - 3340/2.9=2, 3350/2.9=2...(8) HB3 MET 11 - HE3 LYS 78 OK 17 78 - 22 - 3340/2.9=2, 3350/2.9=2...(8) HB2 GLU 49 - HE2 LYS 78 OK 16 71 - 23 - 3340/2.9=3, 3350/2.9=2...(9) HB2 GLU 49 - HE3 LYS 78 OK 16 71 - 23 - 3340/2.9=3, 3350/2.9=2...(9) HB2 MET 11 - HE2 LYS 78 OK 15 73 - 21 - 3340/2.9=2, 3350/2.9=2...(8) HB2 MET 11 - HE3 LYS 78 OK 15 73 - 21 - 3340/2.9=2, 3350/2.9=2...(8) HB3 GLU 37 - HE2 LYS 78 OK 11 98 - 11 - 3350/2.9=2, 3340/2.9=2...(4) HB3 GLU 37 - HE3 LYS 78 OK 11 98 - 11 - 3350/2.9=2, 3340/2.9=2...(4) HB ILE 35 - HE3 LYS 78 lone 8 100 - 8 - 3340/2.9=1, 3330/3.5=1...(4) HB ILE 35 - HE2 LYS 78 lone 8 100 - 8 - 3340/2.9=1, 3330/3.5=1...(4) HB2 GLU 22 - HE2 LYS 78 poor 7 63 - 11 - 3340/2.9=1, 3330/3.5=1...(5) HB2 GLU 22 - HE3 LYS 78 poor 7 63 - 11 - 3340/2.9=1, 3330/3.5=1...(5) HB3 GLN 58 - HE3 LYS 78 lone 4 81 - 5 - HB3 GLN 58 - HE2 LYS 78 lone 4 81 - 5 - HB VAL 66 - HE2 LYS 78 lone 2 63 - 3 - HB VAL 66 - HE3 LYS 78 lone 2 63 - 3 - Peak 3361 from cnoeabs.peaks (1.70, 3.09, 42.21 ppm; 3.57 A): 2 out of 18 assignments used, quality = 1.00: * HG2 LYS 78 + HE2 LYS 78 OK 100 100 - 100 - 3.5=100 HG2 LYS 78 + HE3 LYS 78 OK 100 100 - 100 - 3.5=100 HB3 ARG 27 - HE2 LYS 78 OK 26 100 - 26 - 3351/2.9=4, 3341/2.9=4...(10) HB3 ARG 27 - HE3 LYS 78 OK 26 100 - 26 - 3351/2.9=4, 3341/2.9=4...(10) HB2 LEU 30 - HE2 LYS 78 OK 25 97 - 25 - 3341/2.9=4, 3351/2.9=4...(11) HB2 LEU 30 - HE3 LYS 78 OK 25 97 - 25 - 3341/2.9=4, 3351/2.9=4...(11) HB3 LYS 31 - HE2 LYS 78 OK 20 100 - 20 - 3351/2.9=3, 3341/2.9=3...(8) HB3 LYS 31 - HE3 LYS 78 OK 20 100 - 20 - 3351/2.9=3, 3341/2.9=3...(8) HB3 GLU 51 - HE2 LYS 78 OK 16 87 - 19 - 3341/2.9=2, 3351/2.9=2...(6) HB3 GLU 51 - HE3 LYS 78 OK 16 87 - 19 - 3341/2.9=2, 3351/2.9=2...(6) HB3 LYS 91 - HE2 LYS 78 OK 11 93 - 12 - 3351/2.9=2, 3341/2.9=2...(5) HB3 LYS 91 - HE3 LYS 78 OK 11 93 - 12 - 3351/2.9=2, 3341/2.9=2...(5) HB3 LYS 17 - HE2 LYS 78 lone 8 85 - 9 - 3341/2.9=1, 3351/2.9=1 HB3 LYS 17 - HE3 LYS 78 lone 8 85 - 9 - 3341/2.9=1, 3351/2.9=1 HB2 LYS 17 - HE2 LYS 78 lone 8 83 - 9 - 3341/2.9=1, 3351/2.9=1 HB2 LYS 17 - HE3 LYS 78 lone 8 83 - 9 - 3341/2.9=1, 3351/2.9=1 HD3 LYS 31 - HE2 LYS 78 lone 4 63 - 6 - HD3 LYS 31 - HE3 LYS 78 lone 4 63 - 6 - Peak 3362 from cnoeabs.peaks (1.46, 3.09, 42.21 ppm; 3.51 A): 2 out of 16 assignments used, quality = 1.00: * HG3 LYS 78 + HE2 LYS 78 OK 98 100 - 98 - 3.5=98, 2.8/3360=4...(12) HG3 LYS 78 + HE3 LYS 78 OK 98 100 - 98 - 3.5=98, 2.8/3360=4...(12) HG LEU 79 - HE2 LYS 78 OK 35 85 - 41 - 2.1/5849=10, ~5849=7...(12) HG LEU 79 - HE3 LYS 78 OK 35 85 - 41 - 2.1/5849=10, ~5849=7...(12) HB3 LEU 76 - HE2 LYS 78 OK 33 99 - 33 - 3342/2.9=4, 3352/2.9=4...(14) HB3 LEU 76 - HE3 LYS 78 OK 33 99 - 34 - 3342/2.9=4, 3352/2.9=4...(14) HG LEU 12 - HE2 LYS 78 OK 22 99 - 23 - ~4269=4, 2.1/4269=3...(11) HG LEU 12 - HE3 LYS 78 OK 22 99 - 23 - ~4269=3, 2.1/4269=3...(11) HG2 LYS 65 - HE3 LYS 78 OK 16 97 - 17 - 2939/2.9=3, 3342/2.9=2...(6) HG2 LYS 65 - HE2 LYS 78 OK 16 97 - 17 - 2939/2.9=3, 3342/2.9=2...(6) HD2 LYS 64 - HE3 LYS 78 OK 13 100 - 13 - 5438/2.9=3, 3352/2.9=2...(6) HD2 LYS 64 - HE2 LYS 78 OK 13 100 - 13 - 5438/2.9=3, 3352/2.9=2...(6) HB3 LYS 64 - HE2 LYS 78 OK 11 90 - 12 - 3342/2.9=2, 3352/2.9=2...(4) HB3 LYS 64 - HE3 LYS 78 OK 11 90 - 12 - 3342/2.9=2, 3352/2.9=2...(4) HB3 ARG 45 - HE3 LYS 78 lone 3 100 - 3 - HB3 ARG 45 - HE2 LYS 78 lone 3 100 - 3 - Peak 3363 from cnoeabs.peaks (1.92, 3.09, 42.21 ppm; 3.48 A): 2 out of 24 assignments used, quality = 1.00: * HD2 LYS 78 + HE2 LYS 78 OK 100 100 - 100 - 2.9=100 HD2 LYS 78 + HE3 LYS 78 OK 100 100 - 100 - 2.9=100 HG3 PRO 81 - HE2 LYS 78 OK 37 100 - 37 - 3353/2.9=5, 3323/3.5=4...(16) HG3 PRO 81 - HE3 LYS 78 OK 37 100 - 37 - 3353/2.9=5, 3323/3.5=4...(16) HB2 LEU 76 - HE2 LYS 78 OK 22 71 - 32 - 3353/2.9=3, ~3352=3...(16) HB2 LEU 76 - HE3 LYS 78 OK 22 71 - 32 - 3353/2.9=3, ~3352=3...(16) HG3 GLU 49 - HE3 LYS 78 OK 21 99 - 21 - 3353/2.9=2, 3323/3.5=2...(8) HG3 GLU 49 - HE2 LYS 78 OK 21 99 - 21 - 3353/2.9=2, 3323/3.5=2...(8) HG3 PRO 84 - HE2 LYS 78 OK 12 63 - 20 - 3353/2.9=2, 3323/3.5=2...(10) HG3 PRO 84 - HE3 LYS 78 OK 12 63 - 20 - 3353/2.9=2, 3323/3.5=2...(10) QE MET 48 - HE2 LYS 78 OK 11 97 - 11 - 4864/3.5=2, 2446/2.9=2 QE MET 48 - HE3 LYS 78 OK 11 97 - 11 - 4864/3.5=2, 2446/2.9=2 HB2 MET 11 - HE2 LYS 78 OK 10 65 - 16 - 1130/2.9=1, ~1137=1...(5) HB2 MET 11 - HE3 LYS 78 OK 10 65 - 16 - 1130/2.9=1, ~1137=1...(5) HB3 MET 11 - HE2 LYS 78 poor 9 60 - 15 - 1130/2.9=1, ~1137=1, ~1130=1 HB3 MET 11 - HE3 LYS 78 poor 9 60 - 15 - 1130/2.9=1, ~1137=1, ~1130=1 HB3 GLU 22 - HE2 LYS 78 poor 8 78 - 11 - 3333/3.5=1, 3323/3.5=1...(5) HB3 GLU 22 - HE3 LYS 78 poor 8 78 - 11 - 3333/3.5=1, 3323/3.5=1...(5) HB VAL 20 - HE2 LYS 78 lone 6 89 - 7 - HB VAL 20 - HE3 LYS 78 lone 6 89 - 7 - HB2 GLU 33 - HE3 LYS 78 lone 5 78 - 7 - HB2 GLU 33 - HE2 LYS 78 lone 5 78 - 7 - HB VAL 47 - HE2 LYS 78 lone 4 97 - 4 - HB VAL 47 - HE3 LYS 78 lone 4 97 - 4 - Peak 3364 from cnoeabs.peaks (1.78, 3.09, 42.21 ppm; 3.44 A): 2 out of 28 assignments used, quality = 1.00: * HD3 LYS 78 + HE2 LYS 78 OK 100 100 - 100 - 2.9=100 HD3 LYS 78 + HE3 LYS 78 OK 100 100 - 100 - 2.9=100 HB2 ARG 27 - HE2 LYS 78 OK 24 99 - 24 - 3344/2.9=3, 3324/3.5=3...(11) HB2 ARG 27 - HE3 LYS 78 OK 24 99 - 24 - 3344/2.9=3, 3324/3.5=3...(11) HB2 LYS 31 - HE2 LYS 78 OK 20 100 - 20 - 3344/2.9=2, 3324/3.5=2...(12) HB2 LYS 31 - HE3 LYS 78 OK 20 100 - 20 - 3344/2.9=2, 3324/3.5=2...(12) HG LEU 76 - HE2 LYS 78 OK 19 73 - 26 - 3344/2.9=2, 3334/3.5=2...(16) HG LEU 76 - HE3 LYS 78 OK 19 73 - 26 - 3344/2.9=2, 3334/3.5=2...(16) HB2 LYS 65 - HE2 LYS 78 OK 17 100 - 17 - 2921/3.5=2, 3344/2.9=2...(6) HB2 LYS 65 - HE3 LYS 78 OK 17 100 - 17 - 2921/3.5=2, 3344/2.9=2...(6) HB2 LYS 91 - HE2 LYS 78 OK 11 98 - 11 - 3710/3.5=1, 3344/2.9=1 HB2 LYS 91 - HE3 LYS 78 OK 11 98 - 11 - 3710/3.5=1, 3344/2.9=1 HG2 GLU 51 - HE2 LYS 78 OK 10 73 - 14 - 3324/3.5=1, 3334/3.5=1 HG2 GLU 51 - HE3 LYS 78 OK 10 73 - 14 - 3324/3.5=1, 3334/3.5=1 HB2 MET 48 - HE2 LYS 78 poor 10 97 - 10 - 3344/2.9=1 HB2 MET 48 - HE3 LYS 78 poor 10 97 - 10 - 3344/2.9=1 HG3 GLU 51 - HE2 LYS 78 poor 10 71 - 14 - 3324/3.5=1, 3334/3.5=1 HG3 GLU 51 - HE3 LYS 78 poor 10 71 - 14 - 3324/3.5=1, 3334/3.5=1 QB ALA 74 - HE2 LYS 78 lone 9 99 - 9 - 3344/2.9=1, 3334/3.5=1...(5) QB ALA 74 - HE3 LYS 78 lone 9 99 - 9 - 3344/2.9=1, 3334/3.5=1...(5) HG3 GLU 37 - HE2 LYS 78 lone 8 100 - 8 - 3344/2.9=1 HG3 GLU 37 - HE3 LYS 78 lone 8 100 - 8 - 3344/2.9=1 QE MET 11 - HE2 LYS 78 lone 8 92 - 9 - QE MET 11 - HE3 LYS 78 lone 8 92 - 9 - HB2 ARG 28 - HE2 LYS 78 lone 4 100 - 4 - HB2 ARG 28 - HE3 LYS 78 lone 4 100 - 4 - HB3 ARG 28 - HE2 LYS 78 lone 3 89 - 3 - HB3 ARG 28 - HE3 LYS 78 lone 3 89 - 3 - Peak 3365 from cnoeabs.peaks (3.09, 3.09, 42.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 78 + HE2 LYS 78 OK 100 100 - 100 HE3 LYS 78 + HE3 LYS 78 OK 100 100 - 100 Peak 3366 from cnoeabs.peaks (3.09, 3.09, 42.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 78 + HE3 LYS 78 OK 100 100 - 100 HE2 LYS 78 + HE2 LYS 78 OK 100 100 - 100 Reference assignment not found: HE3 LYS 78 - HE2 LYS 78 Peak 3367 from cnoeabs.peaks (7.20, 3.09, 42.21 ppm; 4.53 A): 6 out of 6 assignments used, quality = 1.00: * H LYS 78 + HE3 LYS 78 OK 81 100 - 81 - 7.2=24, 3337/2.9=14...(15) H LYS 78 + HE2 LYS 78 OK 81 100 - 81 - 7.2=24, 3337/2.9=14...(15) QE PHE 57 + HE3 LYS 78 OK 76 95 - 80 - 4662/3.5=17, 4660/4.4=14...(16) QE PHE 57 + HE2 LYS 78 OK 76 94 - 80 - 4662/3.5=17, 4660/4.4=14...(16) QD PHE 80 + HE3 LYS 78 OK 54 100 - 54 - 3347/2.9=10, 3337/2.9=10...(11) QD PHE 80 + HE2 LYS 78 OK 54 100 - 54 - 3347/2.9=10, 3337/2.9=10...(11) Peak 3368 from cnoeabs.peaks (4.26, 3.09, 42.21 ppm; 4.93 A): 2 out of 14 assignments used, quality = 1.00: * HA LYS 78 + HE3 LYS 78 OK 93 100 - 93 - 5.7=64, 3338/2.9=21...(20) HA LYS 78 + HE2 LYS 78 OK 93 100 - 93 - 5.7=64, 3338/2.9=21...(20) HA LEU 87 - HE3 LYS 78 OK 43 95 - 46 - 3338/2.9=8, 3348/2.9=8...(10) HA LEU 87 - HE2 LYS 78 OK 43 94 - 46 - 3338/2.9=8, 3348/2.9=8...(10) HA VAL 52 - HE3 LYS 78 OK 33 92 - 36 - 3348/2.9=6, 3338/2.9=6...(10) HA VAL 52 - HE2 LYS 78 OK 33 92 - 36 - 3348/2.9=6, 3338/2.9=6...(10) HA LEU 85 - HE3 LYS 78 OK 24 100 - 24 - 3338/2.9=4, 3348/2.9=4...(7) HA LEU 85 - HE2 LYS 78 OK 24 100 - 24 - 3338/2.9=4, 3348/2.9=4...(7) HA ASP 53 - HE3 LYS 78 OK 15 85 - 17 - 3348/2.9=3, 3338/2.9=2...(7) HA ASP 53 - HE2 LYS 78 OK 15 85 - 17 - 3348/2.9=3, 3338/2.9=2...(7) HA ALA 89 - HE3 LYS 78 OK 13 100 - 13 - 3338/2.9=2, 3348/2.9=2...(6) HA ALA 89 - HE2 LYS 78 OK 13 100 - 13 - 3338/2.9=2, 3348/2.9=2...(6) HA3 GLY 39 - HE3 LYS 78 lone 8 92 - 8 - 3338/2.9=1, 3348/2.9=1...(4) HA3 GLY 39 - HE2 LYS 78 lone 8 92 - 8 - 3338/2.9=1, 3348/2.9=1...(4) Peak 3369 from cnoeabs.peaks (1.99, 3.09, 42.21 ppm; 4.56 A): 2 out of 24 assignments used, quality = 1.00: * HB2 LYS 78 + HE3 LYS 78 OK 100 100 - 100 - 4.4=100 HB2 LYS 78 + HE2 LYS 78 OK 100 100 - 100 - 4.4=100 HB3 PRO 81 - HE3 LYS 78 OK 34 73 - 47 - ~3340=5, ~3350=4...(22) HB3 PRO 81 - HE2 LYS 78 OK 34 73 - 47 - ~3340=5, ~3350=4...(22) HB3 PRO 19 - HE3 LYS 78 OK 34 97 - 35 - 3329/3.5=4, 3319/3.5=4...(15) HB3 PRO 19 - HE2 LYS 78 OK 34 97 - 35 - 3329/3.5=4, 3319/3.5=4...(15) HG2 PRO 84 - HE3 LYS 78 OK 32 100 - 32 - 3349/2.9=3, 3319/3.5=3...(14) HG2 PRO 84 - HE2 LYS 78 OK 32 100 - 32 - 3349/2.9=3, 3319/3.5=3...(14) HB2 PRO 19 - HE3 LYS 78 OK 32 93 - 34 - 3329/3.5=4, 3319/3.5=4...(15) HB2 PRO 19 - HE2 LYS 78 OK 32 93 - 34 - 3329/3.5=4, 3319/3.5=4...(15) HG2 GLU 49 - HE3 LYS 78 OK 23 78 - 29 - 3349/2.9=3, 2474/2.9=3...(17) HG2 GLU 49 - HE2 LYS 78 OK 23 78 - 29 - 3349/2.9=3, 2474/2.9=3...(17) HB2 LEU 23 - HE3 LYS 78 OK 22 78 - 29 - ~5816=4, ~4479=3...(12) HB2 LEU 23 - HE2 LYS 78 OK 22 78 - 29 - ~5816=4, ~4479=3...(12) HB3 GLU 49 - HE3 LYS 78 OK 22 73 - 30 - 3349/2.9=3, 2468/2.9=2...(20) HB3 GLU 49 - HE2 LYS 78 OK 22 73 - 30 - 3349/2.9=3, 2468/2.9=2...(20) HB2 GLU 51 - HE3 LYS 78 OK 17 68 - 25 - ~3341=2, ~3351=2...(13) HB2 GLU 51 - HE2 LYS 78 OK 17 68 - 25 - ~3341=2, ~3351=2...(13) HB2 GLU 25 - HE3 LYS 78 OK 10 100 - 10 - 882/7.2=2, 3289/5.7=1...(6) HB2 GLU 25 - HE2 LYS 78 OK 10 100 - 10 - 882/7.2=2, 3289/5.7=1...(6) HE3 LYS 68 - HE3 LYS 78 lone 8 99 - 8 - HE3 LYS 68 - HE2 LYS 78 lone 8 99 - 8 - HB2 LEU 34 - HE3 LYS 78 lone 6 100 - 6 - HB2 LEU 34 - HE2 LYS 78 lone 6 100 - 6 - Peak 3370 from cnoeabs.peaks (1.87, 3.09, 42.21 ppm; 3.93 A): 2 out of 24 assignments used, quality = 0.99: * HB3 LYS 78 + HE3 LYS 78 OK 89 100 - 89 - 4.4=71, 3340/2.9=15...(17) HB3 LYS 78 + HE2 LYS 78 OK 89 100 - 89 - 4.4=71, 3340/2.9=15...(17) HG2 PRO 81 - HE3 LYS 78 OK 42 97 - 44 - 3340/2.9=8, 3350/2.9=6...(18) HG2 PRO 81 - HE2 LYS 78 OK 42 97 - 44 - 3340/2.9=8, 3350/2.9=6...(18) HG3 PRO 19 - HE3 LYS 78 OK 28 100 - 28 - 3340/2.9=4, 3350/2.9=4...(11) HG3 PRO 19 - HE2 LYS 78 OK 28 100 - 28 - 3340/2.9=4, 3350/2.9=4...(11) HB3 PRO 84 - HE3 LYS 78 OK 25 90 - 27 - 3340/2.9=3, 3350/2.9=3...(10) HB3 PRO 84 - HE2 LYS 78 OK 25 90 - 27 - 3340/2.9=3, 3350/2.9=3...(10) HB3 MET 11 - HE3 LYS 78 OK 17 78 - 22 - 3340/2.9=2, 3350/2.9=2...(8) HB3 MET 11 - HE2 LYS 78 OK 17 78 - 22 - 3340/2.9=2, 3350/2.9=2...(8) HB2 GLU 49 - HE3 LYS 78 OK 16 71 - 23 - 3340/2.9=3, 3350/2.9=2...(9) HB2 GLU 49 - HE2 LYS 78 OK 16 71 - 23 - 3340/2.9=3, 3350/2.9=2...(9) HB2 MET 11 - HE3 LYS 78 OK 15 73 - 21 - 3340/2.9=2, 3350/2.9=2...(8) HB2 MET 11 - HE2 LYS 78 OK 15 73 - 21 - 3340/2.9=2, 3350/2.9=2...(8) HB3 GLU 37 - HE3 LYS 78 OK 11 98 - 11 - 3350/2.9=2, 3340/2.9=2...(4) HB3 GLU 37 - HE2 LYS 78 OK 11 98 - 11 - 3350/2.9=2, 3340/2.9=2...(4) HB ILE 35 - HE3 LYS 78 lone 8 100 - 8 - 3340/2.9=1, 3330/3.5=1...(4) HB ILE 35 - HE2 LYS 78 lone 8 100 - 8 - 3340/2.9=1, 3330/3.5=1...(4) HB2 GLU 22 - HE3 LYS 78 poor 7 63 - 11 - 3340/2.9=1, 3330/3.5=1...(5) HB2 GLU 22 - HE2 LYS 78 poor 7 63 - 11 - 3340/2.9=1, 3330/3.5=1...(5) HB3 GLN 58 - HE3 LYS 78 lone 4 81 - 5 - HB3 GLN 58 - HE2 LYS 78 lone 4 81 - 5 - HB VAL 66 - HE2 LYS 78 lone 2 63 - 3 - HB VAL 66 - HE3 LYS 78 lone 2 63 - 3 - Peak 3371 from cnoeabs.peaks (1.70, 3.09, 42.21 ppm; 3.57 A): 2 out of 18 assignments used, quality = 1.00: * HG2 LYS 78 + HE3 LYS 78 OK 100 100 - 100 - 3.5=100 HG2 LYS 78 + HE2 LYS 78 OK 100 100 - 100 - 3.5=100 HB3 ARG 27 - HE3 LYS 78 OK 26 100 - 26 - 3351/2.9=4, 3341/2.9=4...(10) HB3 ARG 27 - HE2 LYS 78 OK 26 100 - 26 - 3351/2.9=4, 3341/2.9=4...(10) HB2 LEU 30 - HE3 LYS 78 OK 25 97 - 25 - 3341/2.9=4, 3351/2.9=4...(11) HB2 LEU 30 - HE2 LYS 78 OK 25 97 - 25 - 3341/2.9=4, 3351/2.9=4...(11) HB3 LYS 31 - HE3 LYS 78 OK 20 100 - 20 - 3351/2.9=3, 3341/2.9=3...(8) HB3 LYS 31 - HE2 LYS 78 OK 20 100 - 20 - 3351/2.9=3, 3341/2.9=3...(8) HB3 GLU 51 - HE3 LYS 78 OK 16 87 - 19 - 3341/2.9=2, 3351/2.9=2...(6) HB3 GLU 51 - HE2 LYS 78 OK 16 87 - 19 - 3341/2.9=2, 3351/2.9=2...(6) HB3 LYS 91 - HE3 LYS 78 OK 11 93 - 12 - 3351/2.9=2, 3341/2.9=2...(5) HB3 LYS 91 - HE2 LYS 78 OK 11 93 - 12 - 3351/2.9=2, 3341/2.9=2...(5) HB3 LYS 17 - HE3 LYS 78 lone 8 85 - 9 - 3341/2.9=1, 3351/2.9=1 HB3 LYS 17 - HE2 LYS 78 lone 8 85 - 9 - 3341/2.9=1, 3351/2.9=1 HB2 LYS 17 - HE3 LYS 78 lone 8 83 - 9 - 3341/2.9=1, 3351/2.9=1 HB2 LYS 17 - HE2 LYS 78 lone 8 83 - 9 - 3341/2.9=1, 3351/2.9=1 HD3 LYS 31 - HE3 LYS 78 lone 4 63 - 6 - HD3 LYS 31 - HE2 LYS 78 lone 4 63 - 6 - Peak 3372 from cnoeabs.peaks (1.46, 3.09, 42.21 ppm; 3.51 A): 2 out of 16 assignments used, quality = 1.00: * HG3 LYS 78 + HE3 LYS 78 OK 98 100 - 98 - 3.5=98, 2.8/3370=4...(12) HG3 LYS 78 + HE2 LYS 78 OK 98 100 - 98 - 3.5=98, 2.8/3360=4...(12) HG LEU 79 - HE3 LYS 78 OK 35 85 - 41 - 2.1/5849=10, ~5849=7...(12) HG LEU 79 - HE2 LYS 78 OK 35 85 - 41 - 2.1/5849=10, ~5849=7...(12) HB3 LEU 76 - HE3 LYS 78 OK 33 99 - 34 - 3342/2.9=4, 3352/2.9=4...(14) HB3 LEU 76 - HE2 LYS 78 OK 33 99 - 34 - 3342/2.9=4, 3352/2.9=4...(14) HG LEU 12 - HE2 LYS 78 OK 23 99 - 23 - ~4269=4, 2.1/4269=3...(11) HG LEU 12 - HE3 LYS 78 OK 23 99 - 23 - ~4269=3, 2.1/4269=3...(11) HG2 LYS 65 - HE3 LYS 78 OK 16 97 - 17 - 2939/2.9=3, 3342/2.9=2...(6) HG2 LYS 65 - HE2 LYS 78 OK 16 97 - 17 - 2939/2.9=3, 3342/2.9=2...(6) HD2 LYS 64 - HE3 LYS 78 OK 13 100 - 13 - 5438/2.9=3, 3352/2.9=2...(6) HD2 LYS 64 - HE2 LYS 78 OK 13 100 - 13 - 5438/2.9=3, 3352/2.9=2...(6) HB3 LYS 64 - HE3 LYS 78 OK 11 90 - 12 - 3342/2.9=2, 3352/2.9=2...(4) HB3 LYS 64 - HE2 LYS 78 OK 11 90 - 12 - 3342/2.9=2, 3352/2.9=2...(4) HB3 ARG 45 - HE3 LYS 78 lone 3 100 - 3 - HB3 ARG 45 - HE2 LYS 78 lone 3 100 - 3 - Peak 3373 from cnoeabs.peaks (1.92, 3.09, 42.21 ppm; 3.48 A): 2 out of 24 assignments used, quality = 1.00: * HD2 LYS 78 + HE3 LYS 78 OK 100 100 - 100 - 2.9=100 HD2 LYS 78 + HE2 LYS 78 OK 100 100 - 100 - 2.9=100 HG3 PRO 81 - HE3 LYS 78 OK 37 100 - 37 - 3353/2.9=5, 3323/3.5=4...(16) HG3 PRO 81 - HE2 LYS 78 OK 37 100 - 37 - 3353/2.9=5, 3323/3.5=4...(16) HB2 LEU 76 - HE3 LYS 78 OK 22 71 - 32 - 3353/2.9=3, ~3352=3...(16) HB2 LEU 76 - HE2 LYS 78 OK 22 71 - 32 - 3353/2.9=3, ~3352=3...(16) HG3 GLU 49 - HE3 LYS 78 OK 21 99 - 21 - 3353/2.9=2, 3323/3.5=2...(8) HG3 GLU 49 - HE2 LYS 78 OK 21 99 - 21 - 3353/2.9=2, 3323/3.5=2...(8) HG3 PRO 84 - HE3 LYS 78 OK 12 63 - 20 - 3353/2.9=2, 3323/3.5=2...(10) HG3 PRO 84 - HE2 LYS 78 OK 12 63 - 20 - 3353/2.9=2, 3323/3.5=2...(10) QE MET 48 - HE3 LYS 78 OK 11 97 - 11 - 4864/3.5=2, 2446/2.9=2 QE MET 48 - HE2 LYS 78 OK 11 97 - 11 - 4864/3.5=2, 2446/2.9=2 HB2 MET 11 - HE3 LYS 78 OK 10 65 - 16 - 1130/2.9=1, ~1137=1...(5) HB2 MET 11 - HE2 LYS 78 OK 10 65 - 16 - 1130/2.9=1, ~1137=1...(5) HB3 MET 11 - HE3 LYS 78 poor 9 60 - 15 - 1130/2.9=1, ~1137=1, ~1130=1 HB3 MET 11 - HE2 LYS 78 poor 9 60 - 15 - 1130/2.9=1, ~1137=1, ~1130=1 HB3 GLU 22 - HE3 LYS 78 poor 8 78 - 11 - 3333/3.5=1, 3323/3.5=1...(5) HB3 GLU 22 - HE2 LYS 78 poor 8 78 - 11 - 3333/3.5=1, 3323/3.5=1...(5) HB VAL 20 - HE3 LYS 78 lone 6 89 - 7 - HB VAL 20 - HE2 LYS 78 lone 6 89 - 7 - HB2 GLU 33 - HE3 LYS 78 lone 5 78 - 7 - HB2 GLU 33 - HE2 LYS 78 lone 5 78 - 7 - HB VAL 47 - HE3 LYS 78 lone 4 97 - 4 - HB VAL 47 - HE2 LYS 78 lone 4 97 - 4 - Peak 3374 from cnoeabs.peaks (1.78, 3.09, 42.21 ppm; 3.44 A): 2 out of 28 assignments used, quality = 1.00: * HD3 LYS 78 + HE3 LYS 78 OK 100 100 - 100 - 2.9=100 HD3 LYS 78 + HE2 LYS 78 OK 100 100 - 100 - 2.9=100 HB2 ARG 27 - HE3 LYS 78 OK 24 99 - 24 - 3344/2.9=3, 3324/3.5=3...(11) HB2 ARG 27 - HE2 LYS 78 OK 24 99 - 24 - 3344/2.9=3, 3324/3.5=3...(11) HB2 LYS 31 - HE3 LYS 78 OK 20 100 - 20 - 3344/2.9=2, 3324/3.5=2...(12) HB2 LYS 31 - HE2 LYS 78 OK 20 100 - 20 - 3344/2.9=2, 3324/3.5=2...(12) HG LEU 76 - HE3 LYS 78 OK 19 73 - 26 - 3344/2.9=2, 3334/3.5=2...(16) HG LEU 76 - HE2 LYS 78 OK 19 73 - 26 - 3344/2.9=2, 3334/3.5=2...(16) HB2 LYS 65 - HE3 LYS 78 OK 17 100 - 17 - 2921/3.5=2, 3344/2.9=2...(6) HB2 LYS 65 - HE2 LYS 78 OK 17 100 - 17 - 2921/3.5=2, 3344/2.9=2...(6) HB2 LYS 91 - HE3 LYS 78 OK 11 98 - 11 - 3710/3.5=1, 3344/2.9=1 HB2 LYS 91 - HE2 LYS 78 OK 11 98 - 11 - 3710/3.5=1, 3344/2.9=1 HG2 GLU 51 - HE3 LYS 78 OK 10 73 - 14 - 3324/3.5=1, 3334/3.5=1 HG2 GLU 51 - HE2 LYS 78 OK 10 73 - 14 - 3324/3.5=1, 3334/3.5=1 HB2 MET 48 - HE3 LYS 78 poor 10 97 - 10 - 3344/2.9=1 HB2 MET 48 - HE2 LYS 78 poor 10 97 - 10 - 3344/2.9=1 HG3 GLU 51 - HE3 LYS 78 poor 10 71 - 14 - 3324/3.5=1, 3334/3.5=1 HG3 GLU 51 - HE2 LYS 78 poor 10 71 - 14 - 3324/3.5=1, 3334/3.5=1 QB ALA 74 - HE3 LYS 78 lone 9 99 - 9 - 3344/2.9=1, 3334/3.5=1...(5) QB ALA 74 - HE2 LYS 78 lone 9 99 - 9 - 3344/2.9=1, 3334/3.5=1...(5) HG3 GLU 37 - HE3 LYS 78 lone 8 100 - 8 - 3344/2.9=1 HG3 GLU 37 - HE2 LYS 78 lone 8 100 - 8 - 3344/2.9=1 QE MET 11 - HE3 LYS 78 lone 8 92 - 9 - QE MET 11 - HE2 LYS 78 lone 8 92 - 9 - HB2 ARG 28 - HE2 LYS 78 lone 4 100 - 4 - HB2 ARG 28 - HE3 LYS 78 lone 4 100 - 4 - HB3 ARG 28 - HE3 LYS 78 lone 3 89 - 3 - HB3 ARG 28 - HE2 LYS 78 lone 3 89 - 3 - Peak 3375 from cnoeabs.peaks (3.09, 3.09, 42.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 78 + HE3 LYS 78 OK 100 100 - 100 HE2 LYS 78 + HE2 LYS 78 OK 100 100 - 100 Reference assignment not found: HE2 LYS 78 - HE3 LYS 78 Peak 3376 from cnoeabs.peaks (3.09, 3.09, 42.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 78 + HE3 LYS 78 OK 100 100 - 100 HE2 LYS 78 + HE2 LYS 78 OK 100 100 - 100 Peak 3377 from cnoeabs.peaks (8.19, 4.01, 55.46 ppm; 3.56 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 79 + HA LEU 79 OK 100 100 - 100 - 2.9=100 H LYS 56 - HA LEU 79 OK 32 98 - 33 - 3384/2.9=5, 3391/2.9=5...(9) H LEU 87 - HA LEU 79 OK 24 100 - 24 - 3384/2.9=4, 3391/2.9=4...(8) HE21 GLN 58 - HA LEU 79 OK 17 83 - 20 - 379/3.6=3, 3384/2.9=3...(7) Peak 3378 from cnoeabs.peaks (4.01, 4.01, 55.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 79 + HA LEU 79 OK 100 100 - 100 Peak 3379 from cnoeabs.peaks (1.25, 4.01, 55.46 ppm; 3.54 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 79 + HA LEU 79 OK 100 100 - 100 - 2.9=100 HB3 LEU 23 + HA LEU 79 OK 54 99 - 55 - 3.1/3383=9, 3393/2.9=7...(21) HG3 LYS 65 - HA LEU 79 OK 22 96 - 23 - 381/3.6=3, 892/2.9=3...(11) HD3 LYS 68 - HA LEU 79 OK 21 71 - 29 - 3.0/3383=4, 3393/2.9=3...(9) HD2 LYS 68 - HA LEU 79 OK 20 68 - 29 - 3.0/3383=4, 3393/2.9=3...(9) HG3 LYS 56 - HA LEU 79 OK 15 63 - 24 - 4.7/3377=3, ~2639=2...(8) HG2 LYS 17 - HA LEU 79 OK 13 95 - 14 - 892/2.9=2, 3393/2.9=1 HG3 LYS 17 - HA LEU 79 OK 11 85 - 13 - 892/2.9=1, 3393/2.9=1 HG13 ILE 35 - HA LEU 79 OK 11 78 - 13 - ~4718=2, ~4720=2...(5) Peak 3380 from cnoeabs.peaks (0.38, 4.01, 55.46 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 79 + HA LEU 79 OK 100 100 - 100 - 2.9=100 Peak 3381 from cnoeabs.peaks (1.48, 4.01, 55.46 ppm; 3.40 A): 3 out of 9 assignments used, quality = 0.96: * HG LEU 79 + HA LEU 79 OK 84 100 - 84 - 4.3=51, 2.1/3413=24...(13) HG3 LYS 78 + HA LEU 79 OK 50 85 - 60 - 2.8/5819=6, 374/2.9=6...(22) HB3 LEU 76 + HA LEU 79 OK 42 95 - 45 - 3.1/6048=8, 894/2.9=5...(18) HG LEU 12 - HA LEU 79 OK 41 96 - 43 - 2.1/3382=7, 2.1/4270=6...(14) HB2 LYS 56 - HA LEU 79 OK 17 68 - 24 - 4.0/3377=3, 2619/2.9=3...(11) QB ALA 72 - HA LEU 79 OK 16 87 - 18 - 5672/2.9=3, 5674/4.0=2...(8) HD2 LYS 64 - HA LEU 79 lone 6 83 - 7 - 383/3.6=1, 374/2.9=1 HG2 GLU 37 - HA LEU 79 lone 3 65 - 4 - HB3 ARG 45 - HA LEU 79 lone 2 78 - 2 - Peak 3382 from cnoeabs.peaks (0.74, 4.01, 55.46 ppm; 2.98 A): 5 out of 6 assignments used, quality = 0.94: * QD1 LEU 79 + HA LEU 79 OK 75 100 - 75 - 4.0=41, 2.1/3413=20...(15) QD1 LEU 12 + HA LEU 79 OK 35 98 - 36 - 2.1/4270=4, 3396/2.9=4...(15) QD2 LEU 76 + HA LEU 79 OK 29 81 - 37 - 2.1/6048=8, 5773/2.9=4...(16) QG2 VAL 20 + HA LEU 79 OK 27 99 - 28 - 4402/2.9=4, 4.0/57=3...(12) QG1 VAL 20 + HA LEU 79 OK 27 98 - 27 - 4.0/57=3, 4415/3.6=3...(12) HG2 LYS 26 - HA LEU 79 lone 8 97 - 9 - 3396/2.9=1, 3389/2.9=1 Peak 3383 from cnoeabs.peaks (0.78, 4.01, 55.46 ppm; 2.74 A): 4 out of 5 assignments used, quality = 0.82: * QD2 LEU 79 + HA LEU 79 OK 64 100 - 64 - 4.0=32, 2.1/3382=10...(14) QD1 LEU 23 + HA LEU 79 OK 35 100 - 36 - 1616/2.9=6, 3397/2.9=5...(13) HG3 LYS 68 + HA LEU 79 OK 14 87 - 17 - 3397/2.9=3, 3390/2.9=2...(8) QD1 LEU 30 + HA LEU 79 OK 12 92 - 13 - 896/2.9=3, 6078/2.9=2...(5) QD1 LEU 73 - HA LEU 79 lone 10 98 - 10 - 896/2.9=2, 3390/2.9=1 Peak 3384 from cnoeabs.peaks (8.19, 1.25, 42.76 ppm; 3.87 A): 1 out of 4 assignments used, quality = 0.98: * H LEU 79 + HB2 LEU 79 OK 98 100 - 98 - 4.0=88, 893/1.8=42...(18) H LYS 56 - HB2 LEU 79 OK 39 98 - 40 - 3391/1.8=7, 3405/3.1=7...(10) H LEU 87 - HB2 LEU 79 OK 29 100 - 29 - 3391/1.8=6, 3412/3.1=5...(8) HE21 GLN 58 - HB2 LEU 79 OK 19 83 - 23 - 3391/1.8=4, 3377/2.9=3...(7) Peak 3385 from cnoeabs.peaks (4.01, 1.25, 42.76 ppm; 3.76 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 79 + HB2 LEU 79 OK 100 100 - 100 - 2.9=100 HD2 PRO 19 + HB2 LEU 79 OK 53 89 - 60 - 3392/1.8=10, 3413/3.1=7...(23) HA PRO 19 - HB2 LEU 79 OK 38 85 - 45 - 1456/2.9=10, 3392/1.8=7...(17) HB3 SER 62 - HB2 LEU 79 lone 6 89 - 6 - 3413/3.1=1, 3392/1.8=1 Peak 3386 from cnoeabs.peaks (1.25, 1.25, 42.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 79 + HB2 LEU 79 OK 100 100 - 100 Peak 3387 from cnoeabs.peaks (0.38, 1.25, 42.76 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 79 + HB2 LEU 79 OK 100 100 - 100 - 1.8=100 Peak 3388 from cnoeabs.peaks (1.48, 1.25, 42.76 ppm; 3.93 A): 4 out of 9 assignments used, quality = 1.00: * HG LEU 79 + HB2 LEU 79 OK 100 100 - 100 - 3.0=100 HG LEU 12 + HB2 LEU 79 OK 63 96 - 66 - 3401/1.8=9, 2.1/3389=8...(26) HB3 LEU 76 + HB2 LEU 79 OK 56 95 - 60 - 3.1/5773=8, 3395/1.8=6...(25) HG3 LYS 78 + HB2 LEU 79 OK 54 85 - 64 - 5815/3.1=10, 5822/2.9=7...(24) QB ALA 72 - HB2 LEU 79 OK 28 87 - 33 - 5672=7, 2.1/5676=3...(13) HB2 LYS 56 - HB2 LEU 79 OK 21 68 - 30 - 4.0/3384=5, 2619/4.0=3...(9) HD2 LYS 64 - HB2 LEU 79 poor 10 83 - 12 - 383/4.6=1, 3395/1.8=1 HB3 ARG 45 - HB2 LEU 79 lone 4 78 - 4 - HG2 GLU 37 - HB2 LEU 79 lone 3 65 - 5 - Peak 3389 from cnoeabs.peaks (0.74, 1.25, 42.76 ppm; 3.34 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 79 + HB2 LEU 79 OK 100 100 - 100 - 3.1=100 QD1 LEU 12 + HB2 LEU 79 OK 54 98 - 55 - 3396/1.8=7, 1191/3.0=5...(26) QD2 LEU 76 - HB2 LEU 79 OK 43 81 - 53 - 5773=8, 3396/1.8=5...(24) QG2 VAL 20 - HB2 LEU 79 OK 43 99 - 43 - 4402=8, 3396/1.8=5...(15) QG1 VAL 20 - HB2 LEU 79 OK 42 98 - 43 - 2.1/4402=6, 3396/1.8=5...(16) HG2 LYS 26 - HB2 LEU 79 OK 16 97 - 16 - 3396/1.8=2, 3.0/5839=1...(6) Peak 3390 from cnoeabs.peaks (0.78, 1.25, 42.76 ppm; 3.48 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 79 + HB2 LEU 79 OK 100 100 - 100 - 3.1=100 QD1 LEU 23 + HB2 LEU 79 OK 74 100 - 74 - 1616=14, 3397/1.8=10...(32) HG3 LYS 68 - HB2 LEU 79 OK 37 87 - 43 - 3397/1.8=6, 3411/3.1=4...(20) QD1 LEU 30 - HB2 LEU 79 OK 24 92 - 26 - 6078=4, 3383/2.9=3...(9) QD1 LEU 73 - HB2 LEU 79 OK 18 98 - 19 - 3383/2.9=2, 3397/1.8=2...(6) Peak 3391 from cnoeabs.peaks (8.19, 0.38, 42.76 ppm; 4.01 A): 1 out of 4 assignments used, quality = 0.99: * H LEU 79 + HB3 LEU 79 OK 99 100 - 99 - 4.0=98, 3384/1.8=21...(16) H LYS 56 - HB3 LEU 79 OK 37 98 - 38 - 3384/1.8=8, 3405/3.1=7...(9) H LEU 87 - HB3 LEU 79 OK 29 100 - 29 - 3384/1.8=6, 3412/3.1=5...(8) HE21 GLN 58 - HB3 LEU 79 OK 19 83 - 22 - 3384/1.8=4, 3377/2.9=3...(7) Peak 3392 from cnoeabs.peaks (4.01, 0.38, 42.76 ppm; 3.61 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 79 + HB3 LEU 79 OK 100 100 - 100 - 2.9=100 HD2 PRO 19 + HB3 LEU 79 OK 49 89 - 55 - 3385/1.8=9, 3413/3.1=7...(21) HA PRO 19 - HB3 LEU 79 OK 34 85 - 40 - 1456/2.9=9, 3385/1.8=7...(10) HB3 SER 62 - HB3 LEU 79 lone 5 89 - 6 - 3413/3.1=1, 3385/1.8=1 Peak 3393 from cnoeabs.peaks (1.25, 0.38, 42.76 ppm; 3.03 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 79 + HB3 LEU 79 OK 100 100 - 100 - 1.8=100 HB3 LEU 23 + HB3 LEU 79 OK 52 99 - 53 - 3.1/3397=6, 3407/3.1=4...(27) HD3 LYS 68 - HB3 LEU 79 OK 25 71 - 35 - 3.0/3397=3, 3407/3.1=3...(9) HD2 LYS 68 - HB3 LEU 79 OK 24 68 - 35 - 3.0/3397=3, 3407/3.1=2...(9) HG3 LYS 65 - HB3 LEU 79 OK 15 96 - 16 - 3379/2.9=2, 381/4.6=2...(7) HG2 LYS 17 - HB3 LEU 79 lone 10 95 - 10 - 3379/2.9=1 HG3 LYS 56 - HB3 LEU 79 poor 9 63 - 15 - 4.7/3391=2, 892/4.0=1...(4) HG3 LYS 17 - HB3 LEU 79 lone 8 85 - 9 - HG13 ILE 35 - HB3 LEU 79 lone 5 78 - 6 - Peak 3394 from cnoeabs.peaks (0.38, 0.38, 42.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 79 + HB3 LEU 79 OK 100 100 - 100 Peak 3395 from cnoeabs.peaks (1.48, 0.38, 42.76 ppm; 3.97 A): 4 out of 9 assignments used, quality = 1.00: * HG LEU 79 + HB3 LEU 79 OK 100 100 - 100 - 3.0=100 HG LEU 12 + HB3 LEU 79 OK 65 96 - 68 - 3401=10, 2.1/3396=8...(26) HB3 LEU 76 + HB3 LEU 79 OK 56 95 - 59 - 3388/1.8=6, 3381/2.9=6...(26) HG3 LYS 78 + HB3 LEU 79 OK 54 85 - 64 - 5815/3.1=10, 5822/2.9=7...(25) QB ALA 72 - HB3 LEU 79 OK 22 87 - 25 - 5672/1.8=6, 5674/3.1=3...(9) HB2 LYS 56 - HB3 LEU 79 OK 20 68 - 29 - 4.0/3391=5, 2619/4.0=3...(10) HD2 LYS 64 - HB3 LEU 79 poor 9 83 - 11 - 5445/4728=2, 383/4.6=1 HB3 ARG 45 - HB3 LEU 79 lone 4 78 - 4 - HG2 GLU 37 - HB3 LEU 79 lone 3 65 - 4 - Peak 3396 from cnoeabs.peaks (0.74, 0.38, 42.76 ppm; 3.28 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 79 + HB3 LEU 79 OK 100 100 - 100 - 3.1=100 QD1 LEU 12 + HB3 LEU 79 OK 51 98 - 52 - 3389/1.8=6, 2.1/3401=5...(26) QD2 LEU 76 - HB3 LEU 79 OK 38 81 - 47 - 5773/1.8=6, 3382/2.9=4...(22) QG1 VAL 20 - HB3 LEU 79 OK 35 98 - 36 - 3389/1.8=5, ~4402=4...(14) QG2 VAL 20 - HB3 LEU 79 OK 35 99 - 36 - 4402/1.8=7, 4400/3.0=4...(14) HG2 LYS 26 - HB3 LEU 79 OK 14 97 - 15 - 3389/1.8=2, 4517/4728=2...(4) Peak 3397 from cnoeabs.peaks (0.78, 0.38, 42.76 ppm; 3.37 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 79 + HB3 LEU 79 OK 100 100 - 100 - 3.1=100 QD1 LEU 23 + HB3 LEU 79 OK 66 100 - 66 - 1616/1.8=11, 3383/2.9=9...(28) HG3 LYS 68 - HB3 LEU 79 OK 35 87 - 41 - 3390/1.8=5, 3411/3.1=4...(23) QD1 LEU 30 - HB3 LEU 79 OK 19 92 - 20 - 6078/1.8=4, 3383/2.9=3...(8) QD1 LEU 73 - HB3 LEU 79 OK 15 98 - 15 - 3390/1.8=2, 3383/2.9=2...(6) Peak 3398 from cnoeabs.peaks (8.19, 1.48, 26.77 ppm; 3.97 A): 2 out of 8 assignments used, quality = 0.95: * H LEU 79 + HG LEU 79 OK 92 100 - 92 - 5.0=50, 893/3.0=34...(18) H LYS 56 + HG LEU 79 OK 39 98 - 40 - 3405/2.1=9, 3412/2.1=8...(8) H LEU 79 - HG LEU 12 OK 33 70 - 48 - 4.0/3401=6, 894=6...(15) H LEU 87 - HG LEU 79 OK 30 100 - 30 - 3412/2.1=6, 3405/2.1=5...(7) HE21 GLN 58 - HG LEU 79 OK 19 83 - 22 - 3412/2.1=4, 3405/2.1=4...(7) HE21 GLN 58 - HG LEU 12 OK 16 51 - 31 - 5307/2.1=8, ~5312=6...(8) H LYS 56 - HG LEU 12 lone 6 66 - 9 - 761/3.0=1 H LEU 87 - HG LEU 12 lone 4 69 - 6 - Peak 3399 from cnoeabs.peaks (4.01, 1.48, 26.77 ppm; 4.31 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 79 + HG LEU 79 OK 100 100 - 100 - 4.3=100 HD2 PRO 19 + HG LEU 79 OK 52 89 - 58 - 3413/2.1=10, 3406/2.1=10...(16) HA PRO 19 - HG LEU 79 OK 44 85 - 52 - 3406/2.1=8, 1456/4.3=8...(15) HA LEU 79 - HG LEU 12 OK 42 70 - 60 - 2.9/3401=10, 4270/2.1=9...(14) HD2 PRO 19 - HG LEU 12 OK 41 56 - 73 - ~4267=19, 4353/2.1=19...(17) HA PRO 19 - HG LEU 12 OK 14 52 - 26 - 4270/2.1=9, 4366/2.1=5...(5) HB3 SER 62 - HG LEU 79 lone 7 89 - 7 - 3413/2.1=2, 3406/2.1=1...(4) HB3 SER 62 - HG LEU 12 lone 3 56 - 4 - 4281/4.9=2 Peak 3400 from cnoeabs.peaks (1.25, 1.48, 26.77 ppm; 4.43 A): 5 out of 18 assignments used, quality = 1.00: * HB2 LEU 79 + HG LEU 79 OK 100 100 - 100 - 3.0=100 HB3 LEU 23 + HG LEU 79 OK 83 99 - 85 - 4471=12, 3414/2.1=10...(34) HB2 LEU 79 + HG LEU 12 OK 53 70 - 76 - 1.8/3401=12, 3388=9...(26) HD3 LYS 68 + HG LEU 79 OK 48 71 - 67 - 3407/2.1=6, 3414/2.1=6...(36) HD2 LYS 68 + HG LEU 79 OK 46 68 - 67 - 3407/2.1=6, 3414/2.1=5...(36) HG3 LYS 65 - HG LEU 12 OK 29 62 - 46 - ~1191=4, ~1198=4...(24) HG3 LYS 65 - HG LEU 79 OK 26 96 - 27 - 3414/2.1=3, 3407/2.1=3...(10) HG13 ILE 35 - HG LEU 12 OK 24 47 - 51 - 2144/2.1=12, ~2137=11...(8) HD3 LYS 68 - HG LEU 12 OK 21 42 - 52 - ~1190=4, ~1197=3...(31) HD2 LYS 68 - HG LEU 12 OK 20 40 - 51 - ~1190=4, ~1197=3...(31) HG3 LYS 56 - HG LEU 79 OK 19 63 - 30 - 4.7/3398=4, ~6177=2...(12) HG2 LYS 17 - HG LEU 79 OK 18 95 - 19 - 3407/2.1=2, 3414/2.1=2...(8) HG3 LYS 17 - HG LEU 79 OK 16 85 - 18 - 3407/2.1=2, 3414/2.1=2...(9) HB3 LEU 23 - HG LEU 12 OK 15 66 - 23 - 4471=3, 3.9/4467=2...(6) HG13 ILE 35 - HG LEU 79 poor 9 78 - 11 - 4719/5.0=2, 3379/4.3=1 HG3 LYS 56 - HG LEU 12 poor 5 36 - 15 - ~1197=2, ~4276=2, ~1190=1 HG2 LYS 17 - HG LEU 12 lone 3 61 - 5 - HG3 LYS 17 - HG LEU 12 lone 3 52 - 5 - ~4677=1 Peak 3401 from cnoeabs.peaks (0.38, 1.48, 26.77 ppm; 4.85 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 79 + HG LEU 79 OK 100 100 - 100 - 3.0=100 HB3 LEU 79 + HG LEU 12 OK 56 70 - 80 - 3395=10, 3396/2.1=9...(26) Peak 3402 from cnoeabs.peaks (1.48, 1.48, 26.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 79 + HG LEU 79 OK 100 100 - 100 HG LEU 12 + HG LEU 12 OK 62 62 - 100 Peak 3403 from cnoeabs.peaks (0.74, 1.48, 26.77 ppm; 3.23 A): 3 out of 12 assignments used, quality = 1.00: * QD1 LEU 79 + HG LEU 79 OK 100 100 - 100 - 2.1=100 QD1 LEU 12 + HG LEU 12 OK 66 66 - 100 - 2.1=100 QD1 LEU 12 + HG LEU 79 OK 53 98 - 54 - 1191=9, 2.1/1198=7...(20) QG2 VAL 20 - HG LEU 79 OK 40 99 - 40 - 4400=7, 4402/3.0=5...(18) QD1 LEU 79 - HG LEU 12 OK 39 70 - 56 - 3409=9, 1199/2.1=7...(22) QG1 VAL 20 - HG LEU 79 OK 38 98 - 38 - 4396=5, 2.1/4400=4...(18) QD2 LEU 76 - HG LEU 79 OK 38 81 - 47 - 5773/3.0=5, 3253=4...(22) QG1 VAL 20 - HG LEU 12 OK 20 66 - 30 - 1199/2.1=4, 4396=3...(13) QG2 VAL 20 - HG LEU 12 OK 19 67 - 28 - 4401/3.0=3, 1199/2.1=3...(11) HG2 LYS 26 - HG LEU 79 OK 13 97 - 14 - 3417/2.1=1, 3396/3.0=1 HG2 LYS 26 - HG LEU 12 poor 7 64 - 11 - 1199/2.1=2, 1178/3.0=1 QD2 LEU 76 - HG LEU 12 poor 6 49 - 13 - 3253=1, 2.1/3246=1, 3.1/3225=1 Peak 3404 from cnoeabs.peaks (0.78, 1.48, 26.77 ppm; 3.26 A): 2 out of 10 assignments used, quality = 1.00: * QD2 LEU 79 + HG LEU 79 OK 100 100 - 100 - 2.1=100 QD1 LEU 23 + HG LEU 79 OK 62 100 - 62 - 3411/2.1=9, 1616/3.0=8...(28) QD2 LEU 79 - HG LEU 12 OK 37 70 - 53 - 3416=8, 3417/2.1=6...(21) HG3 LYS 68 - HG LEU 79 OK 34 87 - 39 - 3411/2.1=5, 3397/3.0=4...(17) QD1 LEU 30 - HG LEU 79 OK 18 92 - 20 - 6078/3.0=3, 3411/2.1=2...(7) HG3 LYS 68 - HG LEU 12 OK 16 54 - 30 - ~1190=3, ~1197=3...(15) QD1 LEU 73 - HG LEU 79 OK 16 98 - 16 - 3411/2.1=2, 3390/3.0=2...(5) QD1 LEU 23 - HG LEU 12 poor 9 69 - 12 - QD1 LEU 73 - HG LEU 12 lone 4 66 - 6 - 6107/3.0=1 QD1 LEU 30 - HG LEU 12 lone 3 59 - 4 - Peak 3405 from cnoeabs.peaks (8.19, 0.74, 26.10 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.98: * H LEU 79 + QD1 LEU 79 OK 96 100 - 96 - 4.8=69, 893/3.1=36...(18) H LYS 56 + QD1 LEU 79 OK 57 98 - 58 - 3412/2.1=9, 4.7/5847=8...(22) H LEU 87 - QD1 LEU 79 OK 35 100 - 35 - 3412/2.1=7, 3384/3.1=5...(7) HE21 GLN 58 - QD1 LEU 79 OK 24 83 - 28 - 3412/2.1=4, 3384/3.1=3...(8) Peak 3406 from cnoeabs.peaks (4.01, 0.74, 26.10 ppm; 4.12 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 79 + QD1 LEU 79 OK 100 100 - 100 - 4.0=100 HD2 PRO 19 + QD1 LEU 79 OK 51 89 - 58 - 3413/2.1=10, 3385/3.1=9...(17) HA PRO 19 - QD1 LEU 79 OK 44 85 - 52 - 1456/4.0=8, 3413/2.1=8...(14) HB3 SER 62 - QD1 LEU 79 lone 7 89 - 7 - 3413/2.1=2, 3385/3.1=1 Peak 3407 from cnoeabs.peaks (1.25, 0.74, 26.10 ppm; 3.38 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 79 + QD1 LEU 79 OK 100 100 - 100 - 3.1=100 HB3 LEU 23 + QD1 LEU 79 OK 63 99 - 64 - 3414/2.1=7, 3.1/3411=7...(32) HD3 LYS 68 - QD1 LEU 79 OK 37 71 - 52 - 3.0/3411=4, 3.0/5565=4...(27) HD2 LYS 68 - QD1 LEU 79 OK 36 68 - 52 - 3.0/3411=4, 3.0/5565=4...(27) HG3 LYS 65 - QD1 LEU 79 OK 21 96 - 22 - 3.7/5455=3, 3414/2.1=2...(9) HG3 LYS 56 - QD1 LEU 79 OK 14 63 - 22 - 4.7/3405=3, 2.9/6177=2...(8) HG2 LYS 17 - QD1 LEU 79 OK 12 95 - 12 - 3414/2.1=1, 3393/3.1=1 HG3 LYS 17 - QD1 LEU 79 poor 10 85 - 12 - 3414/2.1=1 HG13 ILE 35 - QD1 LEU 79 lone 6 78 - 7 - Peak 3408 from cnoeabs.peaks (0.38, 0.74, 26.10 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 79 + QD1 LEU 79 OK 100 100 - 100 - 3.1=100 Peak 3409 from cnoeabs.peaks (1.48, 0.74, 26.10 ppm; 3.16 A): 2 out of 9 assignments used, quality = 1.00: * HG LEU 79 + QD1 LEU 79 OK 100 100 - 100 - 2.1=100 HG LEU 12 + QD1 LEU 79 OK 52 96 - 54 - 2.1/1199=7, 3416/2.1=6...(24) HB3 LEU 76 - QD1 LEU 79 OK 42 95 - 44 - 3416/2.1=5, 3235=4...(22) HG3 LYS 78 - QD1 LEU 79 OK 39 85 - 46 - 5815/2.1=8, 5822/4.0=4...(20) QB ALA 72 - QD1 LEU 79 OK 19 87 - 22 - 5674=4, 5672/3.1=3...(7) HB2 LYS 56 - QD1 LEU 79 OK 15 68 - 21 - 4.0/3405=4, 1.8/6177=2...(9) HD2 LYS 64 - QD1 LEU 79 lone 6 83 - 7 - HB3 ARG 45 - QD1 LEU 79 lone 2 78 - 3 - HG2 GLU 37 - QD1 LEU 79 lone 2 65 - 2 - Peak 3410 from cnoeabs.peaks (0.74, 0.74, 26.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 79 + QD1 LEU 79 OK 100 100 - 100 Peak 3411 from cnoeabs.peaks (0.78, 0.74, 26.10 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 79 + QD1 LEU 79 OK 100 100 - 100 - 2.1=100 QD1 LEU 23 - QD1 LEU 79 OK 36 100 - 36 - 1616/3.1=4, 3404/2.1=4...(17) HG3 LYS 68 - QD1 LEU 79 OK 21 87 - 25 - 3404/2.1=2, 3397/3.1=2...(11) QD1 LEU 30 - QD1 LEU 79 lone 8 92 - 9 - 6078/3.1=1, 3404/2.1=1 QD1 LEU 73 - QD1 LEU 79 lone 7 98 - 7 - Peak 3412 from cnoeabs.peaks (8.19, 0.78, 21.77 ppm; 3.80 A): 2 out of 4 assignments used, quality = 0.94: * H LEU 79 + QD2 LEU 79 OK 91 100 - 91 - 4.8=50, 893/3.1=31...(17) H LYS 56 + QD2 LEU 79 OK 38 98 - 39 - 3405/2.1=8, 3384/3.1=6...(8) H LEU 87 - QD2 LEU 79 OK 29 100 - 29 - 3405/2.1=5, 3384/3.1=4...(7) HE21 GLN 58 - QD2 LEU 79 OK 18 83 - 21 - 3405/2.1=3, 3384/3.1=3...(7) Peak 3413 from cnoeabs.peaks (4.01, 0.78, 21.77 ppm; 2.76 A): 3 out of 4 assignments used, quality = 0.77: * HA LEU 79 + QD2 LEU 79 OK 64 100 - 64 - 4.0=33, 3382/2.1=10...(14) HD2 PRO 19 + QD2 LEU 79 OK 22 89 - 24 - 3392/3.1=4, 3385/3.1=4...(9) HA PRO 19 + QD2 LEU 79 OK 17 85 - 21 - 1456/4.0=4, 3406/2.1=3...(7) HB3 SER 62 - QD2 LEU 79 lone 3 89 - 4 - Peak 3414 from cnoeabs.peaks (1.25, 0.78, 21.77 ppm; 3.50 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 79 + QD2 LEU 79 OK 100 100 - 100 - 3.1=100 HB3 LEU 23 + QD2 LEU 79 OK 67 99 - 68 - 1598=8, 3407/2.1=7...(31) HD3 LYS 68 - QD2 LEU 79 OK 37 71 - 53 - 3407/2.1=4, 3.0/3058=4...(27) HD2 LYS 68 - QD2 LEU 79 OK 36 68 - 52 - 3407/2.1=4, 3.0/3058=4...(27) HG3 LYS 65 - QD2 LEU 79 OK 22 96 - 23 - 3.7/5456=3, 3407/2.1=2...(10) HG3 LYS 56 - QD2 LEU 79 OK 13 63 - 21 - 4.7/3412=3, 3407/2.1=2...(8) HG2 LYS 17 - QD2 LEU 79 OK 12 95 - 12 - 3407/2.1=1, 3393/3.1=1 HG3 LYS 17 - QD2 LEU 79 OK 10 85 - 12 - 3407/2.1=1, 3393/3.1=1 HG13 ILE 35 - QD2 LEU 79 lone 6 78 - 8 - 4719/4.8=1 Peak 3415 from cnoeabs.peaks (0.38, 0.78, 21.77 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 79 + QD2 LEU 79 OK 100 100 - 100 - 3.1=100 Peak 3416 from cnoeabs.peaks (1.48, 0.78, 21.77 ppm; 2.86 A): 1 out of 9 assignments used, quality = 1.00: * HG LEU 79 + QD2 LEU 79 OK 100 100 - 100 - 2.1=100 HG3 LYS 78 - QD2 LEU 79 OK 42 85 - 50 - 5815=8, 3.5/5849=5...(20) HG LEU 12 - QD2 LEU 79 OK 41 96 - 43 - 2.1/3417=5, 3409/2.1=5...(21) HB3 LEU 76 - QD2 LEU 79 OK 32 95 - 34 - 3409/2.1=4, 3.1/3417=3...(19) QB ALA 72 - QD2 LEU 79 OK 15 87 - 17 - 5674/2.1=3, 5672/3.1=2 HB2 LYS 56 - QD2 LEU 79 OK 10 68 - 15 - 4.0/3412=3, 3409/2.1=1, ~6177=1 HD2 LYS 64 - QD2 LEU 79 lone 5 83 - 5 - HB3 ARG 45 - QD2 LEU 79 lone 1 78 - 2 - HG2 GLU 37 - QD2 LEU 79 lone 1 65 - 2 - Peak 3417 from cnoeabs.peaks (0.74, 0.78, 21.77 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 79 + QD2 LEU 79 OK 100 100 - 100 - 2.1=100 QD1 LEU 12 - QD2 LEU 79 OK 30 98 - 30 - 2.1/3416=3, 1191/2.1=3...(15) QG2 VAL 20 - QD2 LEU 79 OK 19 99 - 20 - 4400/2.1=3, 4402/3.1=2...(5) QD2 LEU 76 - QD2 LEU 79 OK 19 81 - 24 - 5773/3.1=2, 3.1/3416=2...(10) QG1 VAL 20 - QD2 LEU 79 OK 18 98 - 19 - 4396/2.1=2, 3389/3.1=2...(6) HG2 LYS 26 - QD2 LEU 79 lone 7 97 - 7 - Peak 3418 from cnoeabs.peaks (0.78, 0.78, 21.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 79 + QD2 LEU 79 OK 100 100 - 100 Peak 3419 from cnoeabs.peaks (7.86, 5.05, 54.37 ppm; 3.66 A): 1 out of 4 assignments used, quality = 1.00: * H PHE 80 + HA PHE 80 OK 100 100 - 100 - 3.0=100 HD21 ASN 24 - HA PHE 80 OK 29 99 - 30 - 3431/3.0=6, 3425/3.0=5...(11) H LEU 12 - HA PHE 80 OK 18 99 - 18 - 5906/3.8=3, 5911/3.8=3...(7) H LYS 65 - HA PHE 80 OK 17 87 - 19 - 4713/3.7=4, 3431/3.0=3...(6) Peak 3420 from cnoeabs.peaks (5.05, 5.05, 54.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 80 + HA PHE 80 OK 100 100 - 100 Peak 3421 from cnoeabs.peaks (3.18, 5.05, 54.37 ppm; 3.11 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PHE 80 + HA PHE 80 OK 100 100 - 100 - 3.0=100 HD3 PRO 81 + HA PHE 80 OK 66 78 - 84 - 3.8=56, 1.8/5880=26...(18) HB2 PHE 57 - HA PHE 80 OK 19 95 - 20 - 4.4/3424=3, 3433/3.0=3...(9) HD2 ARG 27 - HA PHE 80 OK 15 99 - 15 - 4585/3.7=3, 3433/3.0=2...(7) HD2 ARG 28 - HA PHE 80 lone 5 89 - 6 - 1855/4.8=2 HB3 HIS 42 - HA PHE 80 lone 1 73 - 1 - Peak 3422 from cnoeabs.peaks (2.91, 5.05, 54.37 ppm; 3.68 A): 1 out of 8 assignments used, quality = 1.00: * HB3 PHE 80 + HA PHE 80 OK 100 100 - 100 - 3.0=100 HB2 ASN 24 - HA PHE 80 OK 25 96 - 26 - 3.5/3419=4, 3428/3.0=4...(12) HB2 ASN 63 - HA PHE 80 OK 13 100 - 13 - 5411/3.0=3, 4586/3.7=2...(7) HE3 LYS 65 - HA PHE 80 poor 8 71 - 11 - 900/3.0=2, 4586/3.7=2...(5) HE2 LYS 14 - HA PHE 80 lone 6 100 - 6 - 3428/3.0=1, 900/3.0=1 HE2 LYS 65 - HA PHE 80 poor 6 60 - 11 - 900/3.0=2, ~900=1, 4586/3.7=1 HE3 LYS 14 - HA PHE 80 lone 6 100 - 6 - 3428/3.0=1, 900/3.0=1 HB2 ASP 53 - HA PHE 80 lone 6 95 - 6 - 3428/3.0=1, 4586/3.7=1...(4) Peak 3423 from cnoeabs.peaks (7.03, 5.05, 54.37 ppm; 4.92 A): 2 out of 4 assignments used, quality = 0.96: * QE PHE 80 + HA PHE 80 OK 93 100 - 93 - 5.6=67, 2.2/4584=34...(12) QD PHE 46 + HA PHE 80 OK 40 90 - 44 - 3447/3.7=10, 3429/3.0=9...(11) HE ARG 45 - HA PHE 80 OK 11 87 - 13 - 901/3.0=3, 3429/3.0=2...(5) HD2 HIS 10 - HA PHE 80 lone 3 65 - 5 - Peak 3424 from cnoeabs.peaks (7.20, 5.05, 54.37 ppm; 3.33 A): 3 out of 3 assignments used, quality = 0.94: * QD PHE 80 + HA PHE 80 OK 86 100 - 86 - 3.7=72, 902/3.0=13...(15) QE PHE 57 + HA PHE 80 OK 35 99 - 35 - 3430/3.0=7, 3436/3.0=7...(11) H LYS 78 + HA PHE 80 OK 34 99 - 34 - 902/3.0=8, 4.6/5837=7...(8) Peak 3425 from cnoeabs.peaks (7.86, 3.18, 38.95 ppm; 4.25 A): 1 out of 4 assignments used, quality = 1.00: * H PHE 80 + HB2 PHE 80 OK 100 100 - 100 - 4.0=100 HD21 ASN 24 - HB2 PHE 80 OK 39 99 - 39 - 3431/1.8=9, 3419/3.0=6...(11) H LYS 65 - HB2 PHE 80 OK 23 87 - 27 - 4713/2.5=6, 3431/1.8=5...(10) H LEU 12 - HB2 PHE 80 OK 22 99 - 22 - 3431/1.8=5, 4713/2.5=4...(5) Peak 3426 from cnoeabs.peaks (5.05, 3.18, 38.95 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 80 + HB2 PHE 80 OK 100 100 - 100 - 3.0=100 HA VAL 47 + HB2 PHE 80 OK 49 100 - 49 - 3432/1.8=11, 4584/2.5=10...(16) Peak 3427 from cnoeabs.peaks (3.18, 3.18, 38.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 80 + HB2 PHE 80 OK 100 100 - 100 Peak 3428 from cnoeabs.peaks (2.91, 3.18, 38.95 ppm; 2.93 A): 1 out of 8 assignments used, quality = 1.00: * HB3 PHE 80 + HB2 PHE 80 OK 100 100 - 100 - 1.8=100 HB2 ASN 24 - HB2 PHE 80 OK 18 96 - 18 - 4586/2.5=3, 3.5/3425=3...(9) HB2 ASN 63 - HB2 PHE 80 lone 9 100 - 9 - 4586/2.5=2, 3422/3.0=1...(4) HB2 ASP 53 - HB2 PHE 80 lone 5 95 - 6 - ~2561=1, 4586/2.5=1 HE3 LYS 65 - HB2 PHE 80 lone 5 71 - 7 - 4586/2.5=1, 900/4.0=1 HE3 LYS 14 - HB2 PHE 80 lone 5 100 - 5 - HE2 LYS 14 - HB2 PHE 80 lone 5 100 - 5 - HE2 LYS 65 - HB2 PHE 80 lone 4 60 - 7 - 4586/2.5=1 Peak 3429 from cnoeabs.peaks (7.03, 3.18, 38.95 ppm; 4.94 A): 1 out of 4 assignments used, quality = 1.00: * QE PHE 80 + HB2 PHE 80 OK 100 100 - 100 - 4.4=100 QD PHE 46 - HB2 PHE 80 OK 41 90 - 46 - 3447/2.5=12, 3435/1.8=10...(10) HE ARG 45 - HB2 PHE 80 OK 11 87 - 13 - 3435/1.8=3, 3423/3.0=3...(4) HD2 HIS 10 - HB2 PHE 80 lone 4 65 - 5 - Peak 3430 from cnoeabs.peaks (7.20, 3.18, 38.95 ppm; 3.44 A): 2 out of 3 assignments used, quality = 1.00: * QD PHE 80 + HB2 PHE 80 OK 100 100 - 100 - 2.5=100 QE PHE 57 + HB2 PHE 80 OK 54 99 - 54 - 3436/1.8=10, 3424/3.0=6...(18) H LYS 78 - HB2 PHE 80 OK 37 99 - 38 - 5823/4.0=7, 3436/1.8=7...(10) Peak 3431 from cnoeabs.peaks (7.86, 2.91, 38.95 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: * H PHE 80 + HB3 PHE 80 OK 100 100 - 100 - 4.0=100 HD21 ASN 24 - HB3 PHE 80 OK 44 99 - 45 - 448=8, 3425/1.8=7...(15) H LYS 65 - HB3 PHE 80 OK 25 87 - 29 - 4713/2.5=6, 3425/1.8=5...(10) H LEU 12 - HB3 PHE 80 OK 21 99 - 21 - 3425/1.8=4, 4713/2.5=4...(5) Peak 3432 from cnoeabs.peaks (5.05, 2.91, 38.95 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 80 + HB3 PHE 80 OK 100 100 - 100 - 3.0=100 HA VAL 47 + HB3 PHE 80 OK 52 100 - 52 - 3426/1.8=13, 4584/2.5=11...(16) Peak 3433 from cnoeabs.peaks (3.18, 2.91, 38.95 ppm; 3.00 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PHE 80 + HB3 PHE 80 OK 100 100 - 100 - 1.8=100 HD3 PRO 81 + HB3 PHE 80 OK 50 78 - 64 - 4.8=25, 5908/3.0=10...(15) HB2 PHE 57 - HB3 PHE 80 OK 24 95 - 26 - 4585/2.5=4, 4.4/3436=3...(11) HD2 ARG 27 - HB3 PHE 80 OK 20 99 - 20 - 4585/2.5=3, ~1812=2...(10) HD2 ARG 28 - HB3 PHE 80 lone 4 89 - 4 - HB3 HIS 42 - HB3 PHE 80 lone 1 73 - 1 - Peak 3434 from cnoeabs.peaks (2.91, 2.91, 38.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 80 + HB3 PHE 80 OK 100 100 - 100 Peak 3435 from cnoeabs.peaks (7.03, 2.91, 38.95 ppm; 5.21 A): 1 out of 4 assignments used, quality = 1.00: * QE PHE 80 + HB3 PHE 80 OK 100 100 - 100 - 4.4=100 QD PHE 46 - HB3 PHE 80 OK 45 90 - 50 - 3447/2.5=13, 3429/1.8=11...(11) HE ARG 45 - HB3 PHE 80 OK 12 87 - 14 - 3429/1.8=3, 3423/3.0=3...(4) HD2 HIS 10 - HB3 PHE 80 lone 4 65 - 6 - 3429/1.8=1 Peak 3436 from cnoeabs.peaks (7.20, 2.91, 38.95 ppm; 3.54 A): 2 out of 3 assignments used, quality = 1.00: * QD PHE 80 + HB3 PHE 80 OK 100 100 - 100 - 2.5=100 QE PHE 57 + HB3 PHE 80 OK 53 99 - 54 - 3430/1.8=11, 3424/3.0=7...(19) H LYS 78 - HB3 PHE 80 OK 36 99 - 36 - 5823/4.0=7, 3430/1.8=7...(10) Peak 3438 from cnoeabs.peaks (5.05, 7.03, 130.60 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.95: * HA PHE 80 + QE PHE 80 OK 89 89 - 100 - 5.6=100 HA VAL 47 + QE PHE 80 OK 59 88 - 67 - 3444/2.2=19, 3432/4.4=15...(14) Peak 3439 from cnoeabs.peaks (3.18, 7.03, 130.60 ppm; 5.66 A): 3 out of 6 assignments used, quality = 0.99: * HB2 PHE 80 + QE PHE 80 OK 89 89 - 100 - 4.4=100 HD2 ARG 27 + QE PHE 80 OK 73 87 - 84 - 3.0/4541=30, ~4538=17...(24) HB2 PHE 57 + QE PHE 80 OK 59 80 - 74 - ~4570=13, 4.4/3442=13...(20) HD3 PRO 81 - QE PHE 80 OK 44 64 - 70 - 3.8/3423=23, 4.8/901=20...(12) HD2 ARG 28 - QE PHE 80 OK 10 74 - 13 - 3445/2.2=2, 1788/4541=2 HB3 HIS 42 - QE PHE 80 lone 3 59 - 5 - 1788/4541=1 Peak 3440 from cnoeabs.peaks (2.91, 7.03, 130.60 ppm; 6.20 A): 3 out of 8 assignments used, quality = 0.95: * HB3 PHE 80 + QE PHE 80 OK 89 89 - 100 - 4.4=100 HB2 ASN 63 + QE PHE 80 OK 37 88 - 41 - 4.0/5403=13, 3.0/5406=13...(8) HB2 ASN 24 + QE PHE 80 OK 29 81 - 36 - 3446/2.2=8, 3428/4.4=6...(10) HB2 ASP 53 - QE PHE 80 OK 18 80 - 23 - 5845/5868=5, 3446/2.2=3...(8) HE3 LYS 65 - QE PHE 80 OK 15 57 - 27 - 3.8/5895=5, 3446/2.2=4...(10) HE3 LYS 14 - QE PHE 80 OK 15 89 - 16 - 3446/2.2=3, ~3446=2...(7) HE2 LYS 14 - QE PHE 80 OK 15 88 - 16 - 3446/2.2=3, ~3446=2...(7) HE2 LYS 65 - QE PHE 80 OK 12 48 - 26 - 3.8/5895=5, 3446/2.2=4...(10) Peak 3441 from cnoeabs.peaks (7.03, 7.03, 130.60 ppm; diagonal): 1 out of 1 assignment used, quality = 0.88: * QE PHE 80 + QE PHE 80 OK 88 88 - 100 Peak 3442 from cnoeabs.peaks (7.20, 7.03, 130.60 ppm; 3.15 A): 2 out of 3 assignments used, quality = 0.94: * QD PHE 80 + QE PHE 80 OK 89 89 - 100 - 2.2=100 QE PHE 57 + QE PHE 80 OK 47 86 - 55 - 4573/2.2=10, 2.2/5993=9...(21) H LYS 78 - QE PHE 80 OK 24 87 - 28 - 4593/2.2=4, 5823/6.3=3...(13) Peak 3444 from cnoeabs.peaks (5.05, 7.20, 132.93 ppm; 5.42 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 80 + QD PHE 80 OK 100 100 - 100 - 3.7=100 HA VAL 47 + QD PHE 80 OK 67 99 - 68 - 3432/2.5=16, 3426/2.5=16...(20) Peak 3445 from cnoeabs.peaks (3.18, 7.20, 132.93 ppm; 4.63 A): 4 out of 6 assignments used, quality = 1.00: * HB2 PHE 80 + QD PHE 80 OK 100 100 - 100 - 2.5=100 HD3 PRO 81 + QD PHE 80 OK 60 77 - 78 - 3.8/4584=25, 1.8/5910=15...(21) HD2 ARG 27 + QD PHE 80 OK 58 99 - 59 - ~4541=14, 4717/2.2=8...(17) HB2 PHE 57 + QD PHE 80 OK 49 94 - 52 - 2.5/2727=11, 4717/2.2=8...(14) HD2 ARG 28 - QD PHE 80 OK 11 88 - 13 - 4717/2.2=1, 3421/3.7=1 HB3 HIS 42 - QD PHE 80 lone 2 72 - 3 - Peak 3446 from cnoeabs.peaks (2.91, 7.20, 132.93 ppm; 5.06 A): 1 out of 8 assignments used, quality = 1.00: * HB3 PHE 80 + QD PHE 80 OK 100 100 - 100 - 2.5=100 HB2 ASN 24 - QD PHE 80 OK 41 95 - 44 - 3428/2.5=6, 3422/3.7=6...(12) HB2 ASN 63 - QD PHE 80 OK 30 99 - 31 - ~5406=7, 4718/2.2=4...(9) HE3 LYS 65 - QD PHE 80 OK 23 70 - 33 - 3.8/4706=5, 5.1/5189=4...(12) HE2 LYS 65 - QD PHE 80 OK 19 59 - 32 - 3.8/4706=5, 5.1/5189=4...(12) HB2 ASP 53 - QD PHE 80 OK 17 94 - 18 - 4718/2.2=3, ~2561=2...(9) HE2 LYS 14 - QD PHE 80 OK 14 100 - 14 - 3440/2.2=2, 3428/2.5=2...(7) HE3 LYS 14 - QD PHE 80 OK 14 100 - 14 - 3440/2.2=2, 3428/2.5=2...(7) Peak 3447 from cnoeabs.peaks (7.03, 7.20, 132.93 ppm; 3.99 A): 1 out of 4 assignments used, quality = 1.00: * QE PHE 80 + QD PHE 80 OK 100 100 - 100 - 2.2=100 QD PHE 46 - QD PHE 80 OK 41 89 - 46 - ~2378=6, 3429/2.5=6...(14) HE ARG 45 - QD PHE 80 lone 8 86 - 9 - 3429/2.5=2, 3435/2.5=2...(4) HD2 HIS 10 - QD PHE 80 lone 2 65 - 4 - Peak 3448 from cnoeabs.peaks (7.20, 7.20, 132.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 80 + QD PHE 80 OK 100 100 - 100 Peak 3449 from cnoeabs.peaks (4.41, 3.38, 50.06 ppm; 4.81 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 81 + HD2 PRO 81 OK 100 100 - 100 - 3.6=100 HA ARG 28 - HD2 PRO 81 OK 44 99 - 45 - 3456/1.8=11, 3484/2.3=8...(13) HA GLN 55 - HD2 PRO 81 OK 28 100 - 28 - 3456/1.8=6, 3484/2.3=5...(9) HA TYR 70 - HD2 PRO 81 OK 19 90 - 21 - 3456/1.8=4, 3484/2.3=4...(7) Peak 3450 from cnoeabs.peaks (2.29, 3.38, 50.06 ppm; 4.27 A): 3 out of 3 assignments used, quality = 1.00: * HB2 PRO 81 + HD2 PRO 81 OK 100 100 - 100 - 3.0=100 HG3 GLN 58 + HD2 PRO 81 OK 70 85 - 82 - 3457/1.8=13, 3485/2.3=13...(38) HG2 MET 11 + HD2 PRO 81 OK 47 78 - 60 - 3457/1.8=8, 3475=8...(27) Peak 3451 from cnoeabs.peaks (1.97, 3.38, 50.06 ppm; 3.92 A): 7 out of 16 assignments used, quality = 1.00: * HB3 PRO 81 + HD2 PRO 81 OK 100 100 - 100 - 3.0=100 HB2 GLN 58 + HD2 PRO 81 OK 76 98 - 78 - 3482=11, 2.9/3450=9...(34) HB2 PRO 19 + HD2 PRO 81 OK 68 97 - 70 - 3.5/567=10, 2.3/3452=6...(40) HB3 PRO 19 + HD2 PRO 81 OK 65 93 - 70 - 3.5/567=10, 2.3/3452=6...(40) HG2 PRO 19 + HD2 PRO 81 OK 64 97 - 66 - 1.8/3452=7, 4.9/567=7...(34) HG3 PRO 84 + HD2 PRO 81 OK 55 81 - 68 - 2.3/3452=8, ~5919=6...(40) HG2 PRO 84 + HD2 PRO 81 OK 50 68 - 74 - 2.3/3452=8, 1.8/3496=8...(45) HB2 LYS 78 - HD2 PRO 81 OK 42 73 - 58 - 1.8/3452=7, 4.0/5910=6...(26) HB2 LEU 76 - HD2 PRO 81 OK 19 73 - 25 - ~6112=5, 4.0/4102=5...(7) HB3 GLU 22 - HD2 PRO 81 OK 18 65 - 28 - 4.6/1028=6, 4.0/1022=3...(9) HB2 GLU 77 - HD2 PRO 81 OK 16 97 - 17 - 4.1/5910=6, 5878/4.8=1 HE3 LYS 68 - HD2 PRO 81 lone 5 89 - 5 - HB2 GLU 51 - HD2 PRO 81 lone 4 100 - 4 - HB2 LEU 34 - HD2 PRO 81 lone 3 71 - 5 - HB2 GLU 25 - HD2 PRO 81 lone 3 76 - 4 - HB2 GLU 33 - HD2 PRO 81 lone 2 65 - 3 - Peak 3452 from cnoeabs.peaks (1.86, 3.38, 50.06 ppm; 3.27 A): 4 out of 9 assignments used, quality = 1.00: * HG2 PRO 81 + HD2 PRO 81 OK 100 100 - 100 - 2.3=100 HB3 PRO 84 + HD2 PRO 81 OK 60 99 - 60 - 3459/1.8=7, 2.3/3496=5...(34) HG3 PRO 19 + HD2 PRO 81 OK 47 99 - 48 - 3459/1.8=5, 4.9/567=4...(22) HB3 LYS 78 + HD2 PRO 81 OK 45 97 - 47 - 3313/2.3=6, 3459/1.8=5...(20) HB2 GLU 49 - HD2 PRO 81 OK 22 92 - 24 - 2462/2.3=3, 3459/1.8=3...(11) HB2 GLU 22 - HD2 PRO 81 OK 20 87 - 22 - 4.6/1028=4, 4.0/1022=2...(7) HB ILE 35 - HD2 PRO 81 lone 7 95 - 7 - HB3 GLU 37 - HD2 PRO 81 lone 4 100 - 4 - HB VAL 66 - HD2 PRO 81 lone 2 87 - 3 - Peak 3453 from cnoeabs.peaks (1.92, 3.38, 50.06 ppm; 3.25 A): 1 out of 13 assignments used, quality = 1.00: * HG3 PRO 81 + HD2 PRO 81 OK 100 100 - 100 - 2.3=100 HB VAL 20 - HD2 PRO 81 OK 45 87 - 52 - 2.1/1497=10, 2.1/1502=10...(18) HD2 LYS 78 - HD2 PRO 81 OK 37 100 - 37 - 3340/2.3=7, 3460/1.8=3...(15) HG3 PRO 84 - HD2 PRO 81 OK 36 60 - 60 - 3496=7, 2.3/3452=6...(34) HB3 GLN 58 - HD2 PRO 81 OK 35 60 - 58 - 1.8/3482=6, 2.9/3450=6...(31) HB VAL 47 - HD2 PRO 81 OK 30 97 - 31 - 3.0/5909=7, 2395/3.8=4...(12) HB2 MET 11 - HD2 PRO 81 OK 26 68 - 38 - 3.0/3450=4, 3460/1.8=2...(18) HB3 MET 11 - HD2 PRO 81 OK 24 63 - 37 - 3.0/3450=4, ~3457=2...(18) HG3 GLU 49 - HD2 PRO 81 OK 18 99 - 19 - 2477/2.3=2, 3.0/3452=2...(8) HB3 GLU 22 - HD2 PRO 81 OK 16 76 - 21 - 4.6/1028=4, 1.8/3452=2...(6) HB2 LEU 76 - HD2 PRO 81 OK 12 68 - 17 - ~6112=3, 4.0/4102=3...(4) QE MET 48 - HD2 PRO 81 lone 4 97 - 4 - HB2 GLU 33 - HD2 PRO 81 lone 2 76 - 3 - Peak 3454 from cnoeabs.peaks (3.38, 3.38, 50.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 81 + HD2 PRO 81 OK 100 100 - 100 Peak 3455 from cnoeabs.peaks (3.16, 3.38, 50.06 ppm; 2.62 A): 1 out of 5 assignments used, quality = 1.00: * HD3 PRO 81 + HD2 PRO 81 OK 100 100 - 100 - 1.8=100 HB2 PHE 80 - HD2 PRO 81 OK 44 78 - 56 - 4.8=16, 3.0/5880=13...(17) HB2 PHE 57 - HD2 PRO 81 OK 15 98 - 15 - 3490/2.3=2, 3497/2.3=2...(8) HD2 ARG 28 - HD2 PRO 81 OK 11 100 - 11 - 1855/3.6=2, 3490/2.3=2...(6) HD2 ARG 27 - HD2 PRO 81 lone 3 63 - 4 - Peak 3456 from cnoeabs.peaks (4.41, 3.16, 50.06 ppm; 4.63 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 81 + HD3 PRO 81 OK 100 100 - 100 - 3.6=100 HA ARG 28 + HD3 PRO 81 OK 53 99 - 53 - 1820=10, 3449/1.8=9...(15) HA GLN 55 - HD3 PRO 81 OK 27 100 - 27 - 3449/1.8=5, 3484/2.3=5...(7) HA TYR 70 - HD3 PRO 81 OK 21 90 - 23 - 3449/1.8=4, 3484/2.3=4...(8) Peak 3457 from cnoeabs.peaks (2.29, 3.16, 50.06 ppm; 4.01 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PRO 81 + HD3 PRO 81 OK 100 100 - 100 - 3.0=100 HG3 GLN 58 + HD3 PRO 81 OK 68 85 - 80 - 3485/2.3=12, 3450/1.8=11...(39) HG2 MET 11 - HD3 PRO 81 OK 43 78 - 55 - 3450/1.8=7, 3485/2.3=7...(25) Peak 3458 from cnoeabs.peaks (1.97, 3.16, 50.06 ppm; 3.91 A): 7 out of 16 assignments used, quality = 1.00: * HB3 PRO 81 + HD3 PRO 81 OK 100 100 - 100 - 3.0=100 HB2 GLN 58 + HD3 PRO 81 OK 77 98 - 78 - 2.9/3457=9, 3482/1.8=9...(35) HB2 PRO 19 + HD3 PRO 81 OK 66 97 - 68 - 3.0/5916=7, 2.3/3459=6...(39) HB3 PRO 19 + HD3 PRO 81 OK 63 93 - 68 - 3.0/5916=7, 2.3/3459=6...(39) HG2 PRO 19 + HD3 PRO 81 OK 60 97 - 62 - 2.3/5916=8, 1.8/3459=7...(32) HG3 PRO 84 + HD3 PRO 81 OK 55 81 - 68 - 2.3/3459=8, ~5919=5...(40) HG2 PRO 84 + HD3 PRO 81 OK 50 68 - 73 - 2.3/3459=8, 1.8/3497=7...(45) HB2 LYS 78 - HD3 PRO 81 OK 43 73 - 59 - 1.8/3459=7, 4.4/5905=6...(26) HB2 LEU 76 - HD3 PRO 81 OK 19 73 - 25 - 2.9/6112=7, 3.1/5769=4...(5) HB2 GLU 77 - HD3 PRO 81 OK 15 97 - 16 - 4.1/5907=6, 5878/4.8=1...(4) HB3 GLU 22 - HD3 PRO 81 OK 14 65 - 21 - 1.8/3459=2, ~3452=2...(8) HB2 GLU 51 - HD3 PRO 81 lone 4 100 - 4 - HB2 LEU 34 - HD3 PRO 81 lone 4 71 - 5 - HE3 LYS 68 - HD3 PRO 81 lone 3 89 - 4 - HB2 GLU 25 - HD3 PRO 81 lone 3 76 - 4 - HB2 GLU 33 - HD3 PRO 81 lone 2 65 - 4 - Peak 3459 from cnoeabs.peaks (1.86, 3.16, 50.06 ppm; 3.33 A): 4 out of 9 assignments used, quality = 1.00: * HG2 PRO 81 + HD3 PRO 81 OK 100 100 - 100 - 2.3=100 HB3 PRO 84 + HD3 PRO 81 OK 61 99 - 61 - 3452/1.8=7, 2.3/3497=5...(36) HG3 PRO 19 + HD3 PRO 81 OK 48 99 - 48 - 3452/1.8=6, 2.3/5916=5...(22) HB3 LYS 78 + HD3 PRO 81 OK 47 97 - 48 - 3313/2.3=6, 3452/1.8=5...(21) HB2 GLU 49 - HD3 PRO 81 OK 23 92 - 25 - 2462/2.3=3, 3452/1.8=3...(12) HB2 GLU 22 - HD3 PRO 81 OK 16 87 - 18 - 3452/1.8=2, 1557/2.3=1...(5) HB ILE 35 - HD3 PRO 81 lone 8 95 - 8 - HB3 GLU 37 - HD3 PRO 81 lone 4 100 - 4 - HB VAL 66 - HD3 PRO 81 lone 2 87 - 3 - Peak 3460 from cnoeabs.peaks (1.92, 3.16, 50.06 ppm; 3.23 A): 1 out of 13 assignments used, quality = 1.00: * HG3 PRO 81 + HD3 PRO 81 OK 100 100 - 100 - 2.3=100 HD2 LYS 78 - HD3 PRO 81 OK 36 100 - 37 - 3340/2.3=7, 3453/1.8=3...(15) HB3 GLN 58 - HD3 PRO 81 OK 36 60 - 60 - 2.9/3457=6, 1.8/3483=5...(33) HB VAL 20 - HD3 PRO 81 OK 36 87 - 41 - 3.0/3461=8, 1492/1.8=6...(15) HG3 PRO 84 - HD3 PRO 81 OK 35 60 - 59 - 3497=7, 2.3/3459=6...(34) HB VAL 47 - HD3 PRO 81 OK 31 97 - 32 - 3.0/5908=7, 2395/3.8=4...(11) HB2 MET 11 - HD3 PRO 81 OK 26 68 - 37 - 3.0/3457=4, ~3450=2...(18) HB3 MET 11 - HD3 PRO 81 OK 23 63 - 37 - 3.0/3457=4, ~3450=2...(18) HG3 GLU 49 - HD3 PRO 81 OK 18 99 - 19 - 2477/2.3=2, 3.0/3459=2...(7) HB3 GLU 22 - HD3 PRO 81 OK 12 76 - 15 - 1.8/3459=2, 3453/1.8=1...(4) HB2 LEU 76 - HD3 PRO 81 OK 12 68 - 17 - 2.9/6112=5, 3.1/5769=3...(4) QE MET 48 - HD3 PRO 81 lone 5 97 - 5 - HB2 GLU 33 - HD3 PRO 81 lone 2 76 - 3 - Peak 3461 from cnoeabs.peaks (3.38, 3.16, 50.06 ppm; 2.68 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 81 + HD3 PRO 81 OK 100 100 - 100 - 1.8=100 HA VAL 20 - HD3 PRO 81 OK 37 100 - 37 - 3489/2.3=7, 3496/2.3=5...(13) Peak 3462 from cnoeabs.peaks (3.16, 3.16, 50.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 81 + HD3 PRO 81 OK 100 100 - 100 Peak 3463 from cnoeabs.peaks (4.41, 4.41, 63.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 81 + HA PRO 81 OK 100 100 - 100 Peak 3464 from cnoeabs.peaks (2.29, 4.41, 63.40 ppm; 3.18 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 81 + HA PRO 81 OK 100 100 - 100 - 2.3=100 HG3 GLN 58 - HA PRO 81 OK 45 85 - 53 - ~2741=6, 2.9/3477=6...(24) HG2 MET 11 - HA PRO 81 OK 30 78 - 38 - 3470=7, 3457/3.6=3...(15) Peak 3465 from cnoeabs.peaks (1.97, 4.41, 63.40 ppm; 3.31 A): 2 out of 16 assignments used, quality = 1.00: * HB3 PRO 81 + HA PRO 81 OK 100 100 - 100 - 2.3=100 HB2 GLN 58 + HA PRO 81 OK 59 98 - 60 - 3477=11, 2.9/3464=7...(25) HG3 PRO 84 - HA PRO 81 OK 33 81 - 41 - 2.3/3466=5, ~5919=4...(22) HB2 PRO 19 - HA PRO 81 OK 33 97 - 34 - 4.9/3468=4, 2.3/3466=3...(14) HG2 PRO 84 - HA PRO 81 OK 32 68 - 47 - 2.3/3466=5, ~5919=4...(27) HB3 PRO 19 - HA PRO 81 OK 31 93 - 33 - 4.9/3468=4, 2.3/3466=3...(14) HG2 PRO 19 - HA PRO 81 OK 30 97 - 31 - 1.8/3466=4, 1476/3.8=3...(16) HB2 LYS 78 - HA PRO 81 OK 17 73 - 24 - 1.8/3466=3, 3303/3.8=3...(13) HB2 GLU 77 - HA PRO 81 OK 14 97 - 15 - 3.0/6049=8, 388/3.6=1 HB2 LEU 76 - HA PRO 81 poor 10 73 - 13 - 3222/3.6=4, 4.0/4104=3 HB3 GLU 22 - HA PRO 81 poor 9 65 - 14 - 3.0/5918=3, 4.0/4446=2 HB2 GLU 51 - HA PRO 81 lone 4 100 - 4 - 2507/5930=1 HE3 LYS 68 - HA PRO 81 lone 2 89 - 3 - HB2 GLU 25 - HA PRO 81 lone 2 76 - 3 - HB2 GLU 33 - HA PRO 81 lone 2 65 - 3 - HB2 LEU 34 - HA PRO 81 lone 2 71 - 2 - Peak 3466 from cnoeabs.peaks (1.86, 4.41, 63.40 ppm; 3.91 A): 2 out of 9 assignments used, quality = 1.00: * HG2 PRO 81 + HA PRO 81 OK 100 100 - 100 - 3.8=100 HB3 PRO 84 + HA PRO 81 OK 60 99 - 60 - 3473/2.3=7, 3459/3.6=6...(28) HG3 PRO 19 - HA PRO 81 OK 39 99 - 40 - 3452/3.6=5, 3459/3.6=5...(14) HB3 LYS 78 - HA PRO 81 OK 31 97 - 32 - 3313/3.8=5, 3459/3.6=4...(12) HB2 GLU 49 - HA PRO 81 OK 20 92 - 21 - ~5296=4, 3473/2.3=3...(9) HB2 GLU 22 - HA PRO 81 OK 19 87 - 22 - 3.0/5918=4, 4.0/4446=3...(10) HB ILE 35 - HA PRO 81 lone 7 95 - 7 - HB3 GLU 37 - HA PRO 81 lone 4 100 - 4 - HB VAL 66 - HA PRO 81 lone 3 87 - 4 - Peak 3467 from cnoeabs.peaks (1.92, 4.41, 63.40 ppm; 3.50 A): 4 out of 13 assignments used, quality = 0.93: * HG3 PRO 81 + HA PRO 81 OK 79 100 - 79 - 3.8=75, 390/3.6=7, 5913/4.8=5 HB3 GLN 58 + HA PRO 81 OK 32 60 - 53 - 1.8/3477=9, 2.9/3464=8...(18) HG3 PRO 84 + HA PRO 81 OK 31 60 - 52 - 2.3/3466=6, 3492/2.3=5...(24) HB2 MET 11 + HA PRO 81 OK 25 68 - 37 - 3.0/3464=5, 4.0/5915=5...(18) HD2 LYS 78 - HA PRO 81 OK 23 100 - 24 - 3340/3.8=5, 3460/3.6=2...(12) HB3 MET 11 - HA PRO 81 OK 23 63 - 37 - 3.0/3464=5, 4.0/5915=5...(18) HB VAL 20 - HA PRO 81 OK 23 87 - 26 - 3.0/3468=6, 1492/3.6=5...(9) HB VAL 47 - HA PRO 81 OK 13 97 - 14 - 2395/4.8=4, 3460/3.6=2...(7) HB3 GLU 22 - HA PRO 81 OK 13 76 - 17 - 3.0/5918=3, 4.0/4446=3...(4) HG3 GLU 49 - HA PRO 81 OK 12 99 - 12 - 2477/3.8=2, 3.0/3466=2...(6) HB2 LEU 76 - HA PRO 81 poor 10 68 - 15 - 3222/3.6=4, 4.0/4104=3 QE MET 48 - HA PRO 81 lone 3 97 - 4 - HB2 GLU 33 - HA PRO 81 lone 3 76 - 3 - Peak 3468 from cnoeabs.peaks (3.38, 4.41, 63.40 ppm; 5.10 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 81 + HA PRO 81 OK 100 100 - 100 - 3.6=100 HA VAL 20 + HA PRO 81 OK 70 100 - 70 - 3489/3.8=15, 3475/2.3=14...(17) Peak 3469 from cnoeabs.peaks (3.16, 4.41, 63.40 ppm; 4.43 A): 1 out of 5 assignments used, quality = 1.00: * HD3 PRO 81 + HA PRO 81 OK 100 100 - 100 - 3.6=100 HD2 ARG 28 - HA PRO 81 OK 38 100 - 38 - 1855=9, 1.8/1863=5...(13) HB2 PHE 80 - HA PRO 81 OK 32 78 - 41 - 3455/3.6=10, 3490/3.8=9...(7) HB2 PHE 57 - HA PRO 81 OK 24 98 - 24 - 3476/2.3=4, 3490/3.8=4...(7) HD2 ARG 27 - HA PRO 81 lone 6 63 - 9 - 3421/4.8=1, 392/3.6=1 Peak 3470 from cnoeabs.peaks (4.41, 2.29, 31.47 ppm; 3.35 A): 1 out of 8 assignments used, quality = 1.00: * HA PRO 81 + HB2 PRO 81 OK 100 100 - 100 - 2.3=100 HA PRO 81 - HG2 MET 11 OK 31 72 - 43 - 3464=9, 3.6/3457=4...(16) HA ARG 28 - HB2 PRO 81 OK 27 99 - 28 - 3456/3.0=4, 3477/1.8=4...(9) HA GLN 55 - HB2 PRO 81 OK 15 100 - 15 - 3477/1.8=3, 3449/3.0=2...(6) HA TYR 70 - HB2 PRO 81 OK 12 90 - 13 - 3477/1.8=2, 3456/3.0=2...(6) HA TYR 70 - HG2 MET 11 poor 6 59 - 11 - ~4252=3, 4205/3.4=2, 5.7/4250=2 HA ARG 28 - HG2 MET 11 lone 4 69 - 6 - HA GLN 55 - HG2 MET 11 lone 3 71 - 4 - Peak 3471 from cnoeabs.peaks (2.29, 2.29, 31.47 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 81 + HB2 PRO 81 OK 100 100 - 100 HG2 MET 11 + HG2 MET 11 OK 49 49 - 100 Peak 3472 from cnoeabs.peaks (1.97, 2.29, 31.47 ppm; 2.75 A): 2 out of 32 assignments used, quality = 1.00: * HB3 PRO 81 + HB2 PRO 81 OK 100 100 - 100 - 1.8=100 HB2 GLN 58 + HB2 PRO 81 OK 57 98 - 59 - 3478=8, 1.8/2750=5...(33) HB2 PRO 19 - HB2 PRO 81 OK 36 97 - 37 - 3486/2.3=3, 4.9/3475=2...(18) HB3 PRO 19 - HB2 PRO 81 OK 34 93 - 37 - 3486/2.3=3, 4.9/3475=2...(19) HG3 PRO 84 - HB2 PRO 81 OK 34 81 - 42 - 2.3/1149=3, 2.3/5919=3...(25) HG2 PRO 19 - HB2 PRO 81 OK 33 97 - 34 - 1476/2.3=4, ~5916=2...(18) HG2 PRO 84 - HB2 PRO 81 OK 33 68 - 48 - 1.8/3492=3, 2.3/1149=3...(32) HB3 PRO 81 - HG2 MET 11 OK 23 72 - 32 - 3478=4, 2.3/3464=4...(15) HB2 LYS 78 - HB2 PRO 81 OK 20 73 - 27 - 3303/2.3=3, 3300/2.3=3...(16) HG3 PRO 84 - HG2 MET 11 OK 12 51 - 23 - 2.3/1149=4, ~3558=3...(10) HG2 PRO 84 - HG2 MET 11 poor 10 41 - 24 - 2.3/1149=4, 3558/1.8=3...(11) HB2 GLU 77 - HB2 PRO 81 lone 9 97 - 10 - ~6049=3, ~5918=2 HB2 LEU 76 - HB2 PRO 81 poor 8 73 - 11 - 3222/3.9=2, 4.0/4105=2, ~6112=1 HB3 GLU 22 - HB2 PRO 81 lone 7 65 - 10 - HB2 GLN 58 - HG2 MET 11 lone 7 67 - 9 - 3478=1 HB2 LYS 78 - HG2 MET 11 lone 2 45 - 5 - HB2 GLU 51 - HB2 PRO 81 lone 2 100 - 2 - HB2 LEU 34 - HB2 PRO 81 lone 2 71 - 2 - HE3 LYS 68 - HB2 PRO 81 lone 2 89 - 2 - HB2 GLU 33 - HB2 PRO 81 lone 1 65 - 2 - HB2 PRO 19 - HG2 MET 11 lone 1 66 - 2 - HG2 PRO 19 - HG2 MET 11 lone 1 66 - 2 - HB3 PRO 19 - HG2 MET 11 lone 1 62 - 2 - HB2 GLU 25 - HB2 PRO 81 lone 1 76 - 1 - HE3 LYS 68 - HG2 MET 11 lone 1 57 - 2 - HB2 LEU 34 - HG2 MET 11 lone 0 43 - 1 - HB2 GLU 77 - HG2 MET 11 lone 0 65 - 0 - HB2 GLU 51 - HG2 MET 11 lone 0 71 - 0 - HB2 LEU 76 - HG2 MET 11 lone 0 45 - 1 - HB3 GLU 22 - HG2 MET 11 lone 0 40 - 0 - HB2 GLU 25 - HG2 MET 11 lone 0 47 - 0 - HB2 GLU 33 - HG2 MET 11 lone 0 40 - 0 - Peak 3473 from cnoeabs.peaks (1.86, 2.29, 31.47 ppm; 3.04 A): 2 out of 18 assignments used, quality = 1.00: * HG2 PRO 81 + HB2 PRO 81 OK 100 100 - 100 - 2.3=100 HB3 PRO 84 + HB2 PRO 81 OK 55 99 - 56 - 3480/1.8=5, 1.8/1149=5...(30) HG3 PRO 19 - HB2 PRO 81 OK 35 99 - 36 - 3452/3.0=3, 3459/3.0=3...(18) HB3 LYS 78 - HB2 PRO 81 OK 34 97 - 35 - 3313/2.3=5, 3459/3.0=3...(18) HB3 PRO 84 - HG2 MET 11 OK 25 70 - 36 - 3551/1.8=7, 1.8/1149=5...(16) HG2 PRO 81 - HG2 MET 11 OK 25 72 - 35 - 3485=5, 2.3/3457=4...(14) HB2 GLU 49 - HB2 PRO 81 OK 21 92 - 23 - 2462/2.3=2, ~5296=2...(10) HB2 GLU 22 - HB2 PRO 81 OK 14 87 - 16 - 3452/3.0=1, 3466/2.3=1...(6) HB VAL 66 - HG2 MET 11 poor 7 56 - 13 - ~4241=5, ~4244=5...(4) HB ILE 35 - HB2 PRO 81 lone 6 95 - 6 - HB3 LYS 78 - HG2 MET 11 lone 5 66 - 7 - HB ILE 35 - HG2 MET 11 lone 3 63 - 5 - HB3 GLU 37 - HB2 PRO 81 lone 3 100 - 3 - HB VAL 66 - HB2 PRO 81 lone 2 87 - 2 - HB2 GLU 49 - HG2 MET 11 lone 2 60 - 3 - HG3 PRO 19 - HG2 MET 11 lone 2 69 - 2 - HB3 GLU 37 - HG2 MET 11 lone 1 72 - 1 - HB2 GLU 22 - HG2 MET 11 lone 0 56 - 1 - Peak 3474 from cnoeabs.peaks (1.92, 2.29, 31.47 ppm; 2.91 A): 1 out of 26 assignments used, quality = 1.00: * HG3 PRO 81 + HB2 PRO 81 OK 100 100 - 100 - 2.3=100 HB2 MET 11 - HG2 MET 11 OK 39 41 - 94 - 3.0=92, ~1146=6, ~1153=3...(11) HB3 GLN 58 - HB2 PRO 81 OK 38 60 - 63 - 1.8/3478=6, 2.9/2758=5...(40) HB3 MET 11 - HG2 MET 11 OK 36 38 - 94 - 3.0=92, ~1146=6, ~1153=3...(11) HG3 PRO 84 - HB2 PRO 81 OK 30 60 - 50 - 3492=5, 2.3/5919=4...(28) HB VAL 20 - HB2 PRO 81 OK 28 87 - 32 - 3.0/3475=4, 1492/3.0=4...(16) HD2 LYS 78 - HB2 PRO 81 OK 27 100 - 27 - 3340/2.3=6, ~3350=2...(12) HB2 MET 11 - HB2 PRO 81 OK 23 68 - 34 - 1.8/1128=3, 3.0/1149=3...(20) HG3 PRO 81 - HG2 MET 11 OK 22 72 - 30 - 1.8/3485=4, 3492=4...(12) HB3 MET 11 - HB2 PRO 81 OK 21 63 - 34 - 1.8/1128=3, 3.0/1149=3...(20) HB VAL 47 - HB2 PRO 81 OK 19 97 - 20 - ~5914=2, ~5913=2...(11) HG3 GLU 49 - HB2 PRO 81 OK 16 99 - 16 - 2477/2.3=2, 3.7/4958=1...(5) HB3 GLU 22 - HB2 PRO 81 poor 10 76 - 13 - 3488/2.3=1, 3467/2.3=1 HG3 PRO 84 - HG2 MET 11 poor 10 36 - 27 - 2.3/1149=4, ~3558=4...(11) HB2 LEU 76 - HB2 PRO 81 poor 9 68 - 13 - 3222/3.9=2, 4.0/4105=2, ~6112=2 HD2 LYS 78 - HG2 MET 11 poor 7 72 - 10 - 3340/3.0=1, 3340/3.0=1 QE MET 48 - HB2 PRO 81 lone 3 97 - 3 - HB3 GLN 58 - HG2 MET 11 lone 3 36 - 8 - HB2 GLU 33 - HB2 PRO 81 lone 2 76 - 3 - HG3 GLU 49 - HG2 MET 11 lone 2 69 - 3 - QE MET 48 - HG2 MET 11 lone 1 65 - 2 - HB VAL 20 - HG2 MET 11 lone 1 56 - 2 - HB VAL 47 - HG2 MET 11 lone 1 65 - 1 - HB2 LEU 76 - HG2 MET 11 lone 0 41 - 1 - HB3 GLU 22 - HG2 MET 11 lone 0 47 - 1 - HB2 GLU 33 - HG2 MET 11 lone 0 47 - 0 - Peak 3475 from cnoeabs.peaks (3.38, 2.29, 31.47 ppm; 4.57 A): 3 out of 4 assignments used, quality = 1.00: * HD2 PRO 81 + HB2 PRO 81 OK 100 100 - 100 - 3.0=100 HA VAL 20 + HB2 PRO 81 OK 77 100 - 77 - 3489/2.3=17, 3496/2.3=13...(25) HD2 PRO 81 + HG2 MET 11 OK 46 72 - 64 - 3450=11, 1.8/3457=9...(30) HA VAL 20 - HG2 MET 11 lone 5 71 - 7 - 3489/3485=1, 3461/3457=1 Peak 3476 from cnoeabs.peaks (3.16, 2.29, 31.47 ppm; 4.22 A): 2 out of 10 assignments used, quality = 1.00: * HD3 PRO 81 + HB2 PRO 81 OK 100 100 - 100 - 3.0=100 HB2 PHE 80 + HB2 PRO 81 OK 60 78 - 76 - ~5880=13, ~5909=12...(19) HD3 PRO 81 - HG2 MET 11 OK 43 72 - 59 - 3457=10, 1.8/3450=8...(26) HB2 PHE 57 - HB2 PRO 81 OK 33 98 - 33 - 3490/2.3=5, 3497/2.3=4...(11) HD2 ARG 28 - HB2 PRO 81 OK 32 100 - 32 - 1855/2.3=6, 3490/2.3=4...(11) HB2 PHE 80 - HG2 MET 11 poor 6 49 - 13 - 4.8/3450=4, 4.8/3457=4 HD2 ARG 27 - HB2 PRO 81 lone 6 63 - 9 - HD2 ARG 28 - HG2 MET 11 lone 3 70 - 5 - HB2 PHE 57 - HG2 MET 11 lone 2 67 - 4 - HD2 ARG 27 - HG2 MET 11 lone 1 38 - 4 - Peak 3477 from cnoeabs.peaks (4.41, 1.97, 31.47 ppm; 3.44 A): 2 out of 8 assignments used, quality = 1.00: * HA PRO 81 + HB3 PRO 81 OK 100 100 - 100 - 2.3=100 HA PRO 81 + HB2 GLN 58 OK 57 92 - 62 - 3465=8, 3464/2.9=8...(25) HA ARG 28 - HB3 PRO 81 OK 29 99 - 29 - 3470/1.8=5, 3456/3.0=5...(9) HA GLN 55 - HB3 PRO 81 OK 17 100 - 17 - 3470/1.8=3, 3449/3.0=2...(6) HA TYR 70 - HB3 PRO 81 OK 14 90 - 16 - 3470/1.8=2, 3456/3.0=2...(6) HA GLN 55 - HB2 GLN 58 lone 4 92 - 5 - 3.6/2743=1, 3986/4.6=1 HA TYR 70 - HB2 GLN 58 lone 4 79 - 5 - 3.6/5647=2 HA ARG 28 - HB2 GLN 58 lone 3 90 - 4 - Peak 3478 from cnoeabs.peaks (2.29, 1.97, 31.47 ppm; 2.78 A): 4 out of 6 assignments used, quality = 1.00: * HB2 PRO 81 + HB3 PRO 81 OK 100 100 - 100 - 1.8=100 HG3 GLN 58 + HB2 GLN 58 OK 68 74 - 93 - 2.9=85, 2762/2.9=14...(14) HB2 PRO 81 + HB2 GLN 58 OK 52 92 - 57 - 3472=7, 2.3/3477=5...(33) HG3 GLN 58 + HB3 PRO 81 OK 50 85 - 59 - 1.8/2741=6, 3464/2.3=6...(26) HG2 MET 11 - HB3 PRO 81 OK 26 78 - 34 - 3464/2.3=4, 3485/2.3=3...(14) HG2 MET 11 - HB2 GLN 58 poor 7 67 - 10 - Peak 3479 from cnoeabs.peaks (1.97, 1.97, 31.47 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 81 + HB3 PRO 81 OK 100 100 - 100 HB2 GLN 58 + HB2 GLN 58 OK 88 88 - 100 Peak 3480 from cnoeabs.peaks (1.86, 1.97, 31.47 ppm; 2.63 A): 2 out of 18 assignments used, quality = 1.00: * HG2 PRO 81 + HB3 PRO 81 OK 100 100 - 100 - 2.3=100 HB3 PRO 84 + HB3 PRO 81 OK 50 99 - 51 - 3554=4, 3473/1.8=4...(25) HG2 PRO 81 - HB2 GLN 58 OK 44 92 - 47 - 3486=5, 2.3/3478=4...(27) HB2 GLU 49 - HB2 GLN 58 OK 42 81 - 52 - 4985/2.9=7, 4945/2.9=6...(18) HB ILE 35 - HB2 GLN 58 OK 35 84 - 42 - ~4742=4, ~4728=3...(23) HB3 LYS 78 - HB3 PRO 81 OK 31 97 - 32 - 3313/2.3=4, 3473/1.8=3...(18) HG3 PRO 19 - HB3 PRO 81 OK 31 99 - 31 - 1482=3, 3473/1.8=3...(13) HB3 PRO 84 - HB2 GLN 58 OK 22 91 - 24 - 3551/2.9=3, 3554=2...(8) HB2 GLU 49 - HB3 PRO 81 OK 16 92 - 17 - 2462/2.3=2, 3473/1.8=2...(5) HB2 GLU 22 - HB3 PRO 81 OK 12 87 - 14 - 3473/1.8=1, 3452/3.0=1 HG3 PRO 19 - HB2 GLN 58 poor 10 90 - 11 - 1482=1 HB ILE 35 - HB3 PRO 81 lone 5 95 - 5 - HB3 LYS 78 - HB2 GLN 58 lone 4 87 - 5 - HB2 GLU 22 - HB2 GLN 58 lone 3 75 - 4 - HB3 GLU 37 - HB3 PRO 81 lone 3 100 - 2 - HB VAL 66 - HB3 PRO 81 lone 2 87 - 2 - HB VAL 66 - HB2 GLN 58 lone 1 75 - 2 - HB3 GLU 37 - HB2 GLN 58 lone 1 92 - 1 - Peak 3481 from cnoeabs.peaks (1.92, 1.97, 31.47 ppm; 2.41 A): 2 out of 26 assignments used, quality = 1.00: * HG3 PRO 81 + HB3 PRO 81 OK 100 100 - 100 - 2.3=100 HB3 GLN 58 + HB2 GLN 58 OK 50 50 - 100 - 1.8=100 HG3 PRO 81 - HB2 GLN 58 OK 36 92 - 39 - 3493=4, 2.3/3478=4...(20) HG3 GLU 49 - HB2 GLN 58 OK 30 90 - 33 - 4984/2.9=6, ~4973=5...(11) HB3 GLN 58 - HB3 PRO 81 OK 26 60 - 44 - 2747=5, 2.9/2741=4...(29) HG3 PRO 84 - HB3 PRO 81 OK 24 60 - 40 - 1.8/3561=3, 3492/1.8=2...(20) HD2 LYS 78 - HB3 PRO 81 OK 20 100 - 20 - 3340/2.3=4, ~3350=1...(7) HB VAL 20 - HB3 PRO 81 OK 19 87 - 22 - 1492/3.0=2, 3.0/3482=2...(12) HB2 MET 11 - HB3 PRO 81 OK 16 68 - 23 - 1128/1.8=2, ~1128=1...(8) HB VAL 47 - HB2 GLN 58 OK 15 86 - 18 - ~6193=3, ~5975=3...(10) HB3 MET 11 - HB3 PRO 81 OK 14 63 - 23 - 1128/1.8=2, ~1128=1...(8) HB VAL 47 - HB3 PRO 81 OK 13 97 - 13 - ~5914=1, 3488/2.3=1...(6) HG3 GLU 49 - HB3 PRO 81 OK 11 99 - 12 - 2477/2.3=1, 3.7/5296=1 HB3 GLU 22 - HB3 PRO 81 lone 8 76 - 10 - HG3 PRO 84 - HB2 GLN 58 poor 8 50 - 15 - 1.8/3561=1, ~2750=1...(6) HB2 LEU 76 - HB3 PRO 81 poor 7 68 - 11 - 4.0/4106=1, 3222/3.9=1, ~6112=1 HB2 MET 11 - HB2 GLN 58 lone 4 58 - 7 - HB VAL 20 - HB2 GLN 58 lone 4 75 - 5 - ~5288=2 HB3 MET 11 - HB2 GLN 58 lone 4 53 - 7 - QE MET 48 - HB3 PRO 81 lone 2 97 - 3 - HD2 LYS 78 - HB2 GLN 58 lone 2 92 - 2 - QE MET 48 - HB2 GLN 58 lone 2 86 - 2 - 4921/4.0=1 HB2 GLU 33 - HB3 PRO 81 lone 2 76 - 2 - HB2 LEU 76 - HB2 GLN 58 lone 2 58 - 3 - HB3 GLU 22 - HB2 GLN 58 lone 2 65 - 3 - HB2 GLU 33 - HB2 GLN 58 lone 1 65 - 2 - Peak 3482 from cnoeabs.peaks (3.38, 1.97, 31.47 ppm; 4.30 A): 3 out of 4 assignments used, quality = 1.00: * HD2 PRO 81 + HB3 PRO 81 OK 100 100 - 100 - 3.0=100 HD2 PRO 81 + HB2 GLN 58 OK 76 92 - 83 - 3450/2.9=10, 1.8/3483=9...(36) HA VAL 20 + HB3 PRO 81 OK 71 100 - 71 - 3489/2.3=16, 3496/2.3=12...(20) HA VAL 20 - HB2 GLN 58 OK 25 92 - 27 - ~5288=6, 4148/4.6=3...(11) Peak 3483 from cnoeabs.peaks (3.16, 1.97, 31.47 ppm; 4.27 A): 3 out of 10 assignments used, quality = 1.00: * HD3 PRO 81 + HB3 PRO 81 OK 100 100 - 100 - 3.0=100 HD3 PRO 81 + HB2 GLN 58 OK 77 92 - 83 - 3457/2.9=11, 1.8/3482=11...(37) HB2 PHE 80 + HB3 PRO 81 OK 61 78 - 79 - ~5880=13, ~5909=12...(20) HB2 PHE 57 - HB3 PRO 81 OK 35 98 - 35 - 3490/2.3=5, 3476/1.8=4...(12) HD2 ARG 28 - HB3 PRO 81 OK 32 100 - 32 - 1855/2.3=6, 3476/1.8=4...(11) HB2 PHE 57 - HB2 GLN 58 OK 21 88 - 23 - 259/4.0=10, ~5275=5, ~5286=4 HB2 PHE 80 - HB2 GLN 58 OK 10 67 - 16 - 4.8/3482=6, 4.8/3458=3...(4) HD2 ARG 27 - HB3 PRO 81 lone 6 63 - 10 - 3469/2.3=1 HD2 ARG 28 - HB2 GLN 58 lone 5 91 - 5 - 259/4.0=1 HD2 ARG 27 - HB2 GLN 58 lone 3 53 - 5 - 259/4.0=2 Peak 3484 from cnoeabs.peaks (4.41, 1.86, 27.14 ppm; 4.85 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 81 + HG2 PRO 81 OK 100 100 - 100 - 3.8=100 HA ARG 28 - HG2 PRO 81 OK 45 99 - 45 - 3456/2.3=10, 3449/2.3=9...(11) HA GLN 55 - HG2 PRO 81 OK 25 100 - 25 - 3449/2.3=6, 3456/2.3=5...(6) HA TYR 70 - HG2 PRO 81 OK 20 90 - 22 - 3456/2.3=4, 3449/2.3=4...(6) Peak 3485 from cnoeabs.peaks (2.29, 1.86, 27.14 ppm; 3.77 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PRO 81 + HG2 PRO 81 OK 100 100 - 100 - 2.3=100 HG3 GLN 58 + HG2 PRO 81 OK 65 85 - 77 - 3457/2.3=10, 3492/1.8=10...(38) HG2 MET 11 - HG2 PRO 81 OK 41 78 - 52 - 3457/2.3=6, 3450/2.3=6...(26) Peak 3486 from cnoeabs.peaks (1.97, 1.86, 27.14 ppm; 2.88 A): 3 out of 16 assignments used, quality = 1.00: * HB3 PRO 81 + HG2 PRO 81 OK 100 100 - 100 - 2.3=100 HB2 GLN 58 + HG2 PRO 81 OK 55 98 - 56 - 3480=5, 2.9/3485=5...(31) HB2 PRO 19 + HG2 PRO 81 OK 46 97 - 47 - 2.3/1476=4, 4.9/3489=3...(25) HB3 PRO 19 - HG2 PRO 81 OK 44 93 - 47 - 2.3/1476=4, 4.9/3489=3...(25) HG2 PRO 19 - HG2 PRO 81 OK 43 97 - 45 - 1476=7, ~5916=3...(25) HG3 PRO 84 - HG2 PRO 81 OK 42 81 - 53 - 1.8/3559=5, 3566=4...(33) HG2 PRO 84 - HG2 PRO 81 OK 39 68 - 57 - 3559=5, 2.3/3545=4...(38) HB2 LYS 78 - HG2 PRO 81 OK 33 73 - 45 - 3300=5, 3303/1.8=4...(22) HB3 GLU 22 - HG2 PRO 81 poor 10 65 - 15 - 1562=1, 3.0/1550=1...(4) HB2 LEU 76 - HG2 PRO 81 poor 9 73 - 12 - 4.0/4107=3, ~6112=2, ~5769=1 HB2 GLU 77 - HG2 PRO 81 lone 8 97 - 8 - 4.1/883=2 HB2 GLU 51 - HG2 PRO 81 lone 2 100 - 2 - HB2 LEU 34 - HG2 PRO 81 lone 2 71 - 3 - HE3 LYS 68 - HG2 PRO 81 lone 2 89 - 2 - HB2 GLU 25 - HG2 PRO 81 lone 2 76 - 2 - HB2 GLU 33 - HG2 PRO 81 lone 1 65 - 2 - Peak 3487 from cnoeabs.peaks (1.86, 1.86, 27.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 81 + HG2 PRO 81 OK 100 100 - 100 Peak 3488 from cnoeabs.peaks (1.92, 1.86, 27.14 ppm; 2.55 A): 1 out of 13 assignments used, quality = 1.00: * HG3 PRO 81 + HG2 PRO 81 OK 100 100 - 100 - 1.8=100 HD2 LYS 78 - HG2 PRO 81 OK 33 100 - 33 - 3340=9, 1.8/3350=4...(13) HG3 PRO 84 - HG2 PRO 81 OK 27 60 - 45 - 1.8/3559=4, 3494=3...(23) HB3 GLN 58 - HG2 PRO 81 OK 25 60 - 42 - 2.9/3485=4, 1.8/3486=3...(30) HB VAL 20 - HG2 PRO 81 OK 24 87 - 27 - 3.0/3489=5, 1492/2.3=3...(15) HB VAL 47 - HG2 PRO 81 OK 17 97 - 18 - 3.0/5914=2, 2.1/6169=2...(8) HB2 MET 11 - HG2 PRO 81 OK 17 68 - 25 - 3.0/3485=2, 1128/2.3=2...(12) HB3 MET 11 - HG2 PRO 81 OK 16 63 - 25 - 3.0/3485=2, 1128/2.3=2...(11) HG3 GLU 49 - HG2 PRO 81 OK 15 99 - 15 - 2477=2, 1.8/2471=1, 3.0/2465=1 HB3 GLU 22 - HG2 PRO 81 poor 10 76 - 12 - 1562=1 HB2 LEU 76 - HG2 PRO 81 lone 7 68 - 10 - 4.0/4107=2, ~6112=2 QE MET 48 - HG2 PRO 81 lone 3 97 - 3 - HB2 GLU 33 - HG2 PRO 81 lone 2 76 - 2 - Peak 3489 from cnoeabs.peaks (3.38, 1.86, 27.14 ppm; 3.60 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 81 + HG2 PRO 81 OK 100 100 - 100 - 2.3=100 HA VAL 20 + HG2 PRO 81 OK 61 100 - 61 - 3461/2.3=12, 3496/1.8=11...(21) Peak 3490 from cnoeabs.peaks (3.16, 1.86, 27.14 ppm; 3.63 A): 2 out of 5 assignments used, quality = 1.00: * HD3 PRO 81 + HG2 PRO 81 OK 100 100 - 100 - 2.3=100 HB2 PHE 80 + HG2 PRO 81 OK 55 78 - 70 - ~5880=11, 3455/2.3=11...(18) HB2 PHE 57 - HG2 PRO 81 OK 26 98 - 27 - 3455/2.3=4, 3497/1.8=4...(11) HD2 ARG 28 - HG2 PRO 81 OK 21 100 - 21 - 3469/3.8=3, 3497/1.8=3...(7) HD2 ARG 27 - HG2 PRO 81 lone 4 63 - 7 - Peak 3491 from cnoeabs.peaks (4.41, 1.92, 27.14 ppm; 4.33 A): 1 out of 8 assignments used, quality = 1.00: * HA PRO 81 + HG3 PRO 81 OK 100 100 - 100 - 3.8=100 HA PRO 81 - HG3 PRO 84 OK 40 60 - 67 - 3466/2.3=8, ~5919=8...(29) HA ARG 28 - HG3 PRO 81 OK 39 99 - 39 - 3456/2.3=8, 3484/1.8=8...(11) HA GLN 55 - HG3 PRO 81 OK 22 100 - 22 - 3449/2.3=4, 3456/2.3=4...(5) HA TYR 70 - HG3 PRO 81 OK 16 90 - 18 - 3456/2.3=3, 3484/1.8=3...(6) HA TYR 70 - HG3 PRO 84 poor 8 49 - 16 - ~1060=3, ~4191=3...(5) HA ARG 28 - HG3 PRO 84 lone 4 58 - 7 - 4559/2.3=4 HA GLN 55 - HG3 PRO 84 lone 2 59 - 3 - Peak 3492 from cnoeabs.peaks (2.29, 1.92, 27.14 ppm; 3.45 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 81 + HG3 PRO 81 OK 100 100 - 100 - 2.3=100 HG3 GLN 58 + HG3 PRO 81 OK 61 85 - 73 - 3485/1.8=10, 3457/2.3=8...(40) HB2 PRO 81 - HG3 PRO 84 OK 41 60 - 68 - 5919/2.3=7, 3473/2.3=6...(41) HG2 MET 11 - HG3 PRO 81 OK 34 78 - 43 - 3485/1.8=6, 3457/2.3=5...(16) HG2 MET 11 - HG3 PRO 84 OK 16 40 - 40 - ~3558=5, 1143/2.3=5...(18) HG3 GLN 58 - HG3 PRO 84 OK 12 45 - 27 - ~2758=3, ~2750=2, ~511=2...(8) Peak 3493 from cnoeabs.peaks (1.97, 1.92, 27.14 ppm; 2.40 A): 1 out of 31 assignments used, quality = 1.00: * HB3 PRO 81 + HG3 PRO 81 OK 100 100 - 100 - 2.3=100 HB2 GLN 58 - HG3 PRO 81 OK 39 98 - 40 - 3481=4, 3478/2.3=4...(23) HG2 PRO 84 - HG3 PRO 84 OK 34 34 - 100 - 1.8=100 HB2 PRO 19 - HG3 PRO 81 OK 30 97 - 31 - 3486/1.8=2, 3472/2.3=2...(15) HB3 PRO 19 - HG3 PRO 81 OK 28 93 - 30 - 3486/1.8=2, 2.3/3494=2...(15) HG2 PRO 84 - HG3 PRO 81 OK 26 68 - 38 - 3559/1.8=2, 2.3/3494=2...(18) HG3 PRO 84 - HG3 PRO 81 OK 26 81 - 32 - 2.3/3494=2, 3486/1.8=2...(16) HG2 PRO 19 - HG3 PRO 81 OK 26 97 - 27 - 1476/1.8=3, 1.8/3494=2...(8) HB2 PRO 19 - HG3 PRO 84 OK 25 55 - 45 - ~3562=2, 1462/2.3=2...(28) HG2 PRO 19 - HG3 PRO 84 OK 25 55 - 45 - 1476/2.3=4, 3561/1.8=3...(27) HB3 PRO 81 - HG3 PRO 84 OK 23 60 - 39 - 3481=3, 3480/2.3=3...(18) HB3 PRO 19 - HG3 PRO 84 OK 23 51 - 45 - ~3562=2, 1462/2.3=2...(27) HB2 LYS 78 - HG3 PRO 81 OK 22 73 - 30 - 3303=4, 1.8/3313=3...(13) HB2 GLN 58 - HG3 PRO 84 poor 9 56 - 15 - ~2750=1, 2742/2.3=1...(5) HB2 LEU 76 - HG3 PRO 81 lone 6 73 - 8 - ~6112=1 HB2 LYS 78 - HG3 PRO 84 poor 6 37 - 16 - 3303=1, 3300/2.3=1...(4) HB3 GLU 22 - HG3 PRO 81 lone 6 65 - 8 - HE3 LYS 68 - HG3 PRO 84 poor 5 47 - 10 - 3111/2.3=1 HB2 GLU 77 - HG3 PRO 81 lone 4 97 - 5 - 4.1/886=1 HB3 GLU 22 - HG3 PRO 84 lone 3 32 - 8 - HB2 LEU 34 - HG3 PRO 84 lone 2 35 - 6 - HE3 LYS 68 - HG3 PRO 81 lone 2 89 - 2 - HB2 GLU 51 - HG3 PRO 81 lone 1 100 - 1 - HB2 LEU 34 - HG3 PRO 81 lone 1 71 - 2 - HB2 GLU 77 - HG3 PRO 84 lone 1 54 - 2 - HB2 GLU 33 - HG3 PRO 81 lone 1 65 - 1 - HB2 LEU 76 - HG3 PRO 84 lone 1 37 - 2 - HB2 GLU 25 - HG3 PRO 81 lone 1 76 - 1 - HB2 GLU 51 - HG3 PRO 84 lone 1 60 - 1 - HB2 GLU 33 - HG3 PRO 84 lone 1 32 - 2 - HB2 GLU 25 - HG3 PRO 84 lone 0 38 - 1 - Peak 3494 from cnoeabs.peaks (1.86, 1.92, 27.14 ppm; 2.49 A): 2 out of 18 assignments used, quality = 1.00: * HG2 PRO 81 + HG3 PRO 81 OK 100 100 - 100 - 1.8=100 HB3 PRO 84 + HG3 PRO 84 OK 58 58 - 100 - 2.3=100 HB3 PRO 84 - HG3 PRO 81 OK 41 99 - 42 - 3452/2.3=3, 3459/2.3=3...(18) HB3 LYS 78 - HG3 PRO 81 OK 33 97 - 34 - 1.8/3303=4, 3313=4...(16) HG3 PRO 19 - HG3 PRO 81 OK 29 99 - 29 - 3452/2.3=3, 3459/2.3=3...(12) HG3 PRO 19 - HG3 PRO 84 OK 29 58 - 50 - 3559/1.8=4, 1485/2.3=3...(31) HG2 PRO 81 - HG3 PRO 84 OK 25 60 - 43 - 3488=4, 3559/1.8=4...(21) HB2 GLU 49 - HG3 PRO 81 OK 17 92 - 18 - 2462=2, 1.8/2468=2...(9) HB ILE 35 - HG3 PRO 84 OK 16 52 - 31 - 3559/1.8=3, 2118/3.8=3...(16) HB2 GLU 49 - HG3 PRO 84 OK 16 50 - 33 - 2462=3, 1.8/2468=3...(13) HB2 GLU 22 - HG3 PRO 81 OK 11 87 - 13 - 3452/2.3=1 HB3 LYS 78 - HG3 PRO 84 OK 10 55 - 19 - 3309/1.8=2, 1.8/3303=2, 3313=2 HB2 GLU 22 - HG3 PRO 84 poor 5 46 - 10 - HB ILE 35 - HG3 PRO 81 lone 5 95 - 5 - HB3 GLU 37 - HG3 PRO 81 lone 2 100 - 2 - HB3 GLU 37 - HG3 PRO 84 lone 2 60 - 3 - HB VAL 66 - HG3 PRO 81 lone 1 87 - 2 - HB VAL 66 - HG3 PRO 84 lone 1 46 - 3 - Peak 3495 from cnoeabs.peaks (1.92, 1.92, 27.14 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 81 + HG3 PRO 81 OK 100 100 - 100 HG3 PRO 84 - HG3 PRO 84 OK 29 29 - 100 Peak 3496 from cnoeabs.peaks (3.38, 1.92, 27.14 ppm; 3.47 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 81 + HG3 PRO 81 OK 100 100 - 100 - 2.3=100 HA VAL 20 + HG3 PRO 81 OK 61 100 - 61 - 3489/1.8=13, 3461/2.3=11...(23) HD2 PRO 81 - HG3 PRO 84 OK 38 60 - 64 - 3452/2.3=7, 1.8/3497=6...(38) HA VAL 20 - HG3 PRO 84 OK 14 60 - 23 - 4150/1.8=3, ~58=3...(7) Peak 3497 from cnoeabs.peaks (3.16, 1.92, 27.14 ppm; 3.43 A): 2 out of 10 assignments used, quality = 1.00: * HD3 PRO 81 + HG3 PRO 81 OK 100 100 - 100 - 2.3=100 HB2 PHE 80 + HG3 PRO 81 OK 50 78 - 64 - 3455/2.3=10, ~5880=10...(18) HD3 PRO 81 - HG3 PRO 84 OK 38 60 - 63 - 3459/2.3=6, 1.8/3496=6...(36) HB2 PHE 57 - HG3 PRO 81 OK 23 98 - 23 - 3490/1.8=4, 3455/2.3=4...(9) HD2 ARG 28 - HG3 PRO 81 OK 18 100 - 18 - 3490/1.8=3, 1855/3.8=3...(7) HD2 ARG 27 - HG3 PRO 81 lone 4 63 - 6 - HB2 PHE 80 - HG3 PRO 84 lone 3 40 - 7 - 4.8/3496=3, 4.8/3460=1 HB2 PHE 57 - HG3 PRO 84 lone 2 56 - 3 - HD2 ARG 28 - HG3 PRO 84 lone 1 59 - 2 - HD2 ARG 27 - HG3 PRO 84 lone 0 31 - 1 - Peak 3498 from cnoeabs.peaks (8.54, 4.62, 54.19 ppm; 4.02 A): 1 out of 6 assignments used, quality = 1.00: * H ASP 82 + HA ASP 82 OK 100 100 - 100 - 3.0=100 H LEU 76 - HA ASP 82 OK 22 100 - 22 - 4106/4.8=4, 4105/4.8=4...(10) H GLY 61 - HA ASP 82 OK 20 99 - 20 - 5374/3.0=6, 393/3.6=3...(6) H ASP 82 - HA GLU 33 OK 16 92 - 18 - 904=4, 4.0/3500=2...(8) H LEU 76 - HA GLU 33 OK 15 92 - 16 - 871/3.0=4, 869/3.0=2...(7) H GLY 61 - HA GLU 33 lone 2 89 - 2 - Peak 3499 from cnoeabs.peaks (4.62, 4.62, 54.19 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ASP 82 + HA ASP 82 OK 100 100 - 100 HA GLU 33 + HA GLU 33 OK 80 80 - 100 Peak 3500 from cnoeabs.peaks (2.69, 4.62, 54.19 ppm; 3.36 A): 1 out of 8 assignments used, quality = 1.00: * HB2 ASP 82 + HA ASP 82 OK 100 100 - 100 - 3.0=100 HB2 ASP 88 - HA ASP 82 OK 35 83 - 42 - 3503=9, 1.8/3501=8...(15) HB2 ASP 82 - HA GLU 33 OK 11 92 - 12 - 3503=3, 1.8/3501=2...(4) HE3 LYS 44 - HA GLU 33 lone 5 55 - 8 - 3.0/4650=2, ~2318=1, 2328/3.0=1 HE3 LYS 44 - HA ASP 82 lone 2 65 - 2 - HB2 ASP 88 - HA GLU 33 lone 1 71 - 2 - HB3 ASN 90 - HA ASP 82 lone 1 60 - 1 - HB3 ASN 90 - HA GLU 33 lone 0 50 - 1 - Peak 3501 from cnoeabs.peaks (2.59, 4.62, 54.19 ppm; 3.57 A): 2 out of 8 assignments used, quality = 1.00: * HB3 ASP 82 + HA ASP 82 OK 100 100 - 100 - 3.0=100 HB3 ASP 88 + HA ASP 82 OK 46 98 - 47 - 3507=11, 1.8/3500=9...(15) HB2 PHE 46 - HA ASP 82 OK 15 99 - 15 - 2.4/4630=3, ~6194=3...(8) HB3 ASP 82 - HA GLU 33 OK 13 92 - 14 - 3507=3, 1.8/3500=3...(5) HB2 ASP 43 - HA ASP 82 OK 12 92 - 13 - 2239=3, 1.8/2243=2, 906/3.0=1 HB2 PHE 46 - HA GLU 33 lone 5 89 - 6 - 2.4/4630=1 HB2 ASP 43 - HA GLU 33 lone 2 80 - 3 - HB3 ASP 88 - HA GLU 33 lone 2 88 - 2 - Peak 3502 from cnoeabs.peaks (8.54, 2.69, 40.82 ppm; 3.64 A): 3 out of 6 assignments used, quality = 0.90: * H ASP 82 + HB2 ASP 82 OK 84 100 - 84 - 4.0=74, 906/1.8=27, 1012/4.6=16 H ASP 82 + HB2 ASP 88 OK 29 78 - 38 - 905=13, 906/1.8=11...(7) H GLY 61 + HB2 ASP 82 OK 11 99 - 11 - 5374/1.8=6, 3498/3.0=3 H LEU 76 - HB2 ASP 82 lone 8 100 - 8 - 3498/3.0=3, 3506/1.8=2 H LEU 76 - HB2 ASP 88 lone 5 78 - 6 - 1008/3.6=3, 3506/1.8=1 H GLY 61 - HB2 ASP 88 lone 3 75 - 3 - 5374/1.8=2 Peak 3503 from cnoeabs.peaks (4.62, 2.69, 40.82 ppm; 3.40 A): 1 out of 20 assignments used, quality = 1.00: * HA ASP 82 + HB2 ASP 82 OK 100 100 - 100 - 3.0=100 HA ASP 82 - HB2 ASP 88 OK 34 78 - 44 - 3500=11, 3501/1.8=8...(15) HA GLU 33 - HB2 ASP 82 OK 12 92 - 13 - 3500=4, 3501/1.8=2...(4) HA ASP 43 - HB2 ASP 82 lone 9 96 - 9 - 2236/1.8=3, 904/4.0=1 HA LEU 12 - HB2 ASP 82 lone 3 97 - 3 - HA ASN 63 - HB2 ASP 82 lone 2 100 - 2 - HA ARG 27 - HB2 ASP 82 lone 2 100 - 2 - HA ASP 43 - HB2 ASP 88 lone 2 70 - 3 - HA ASN 24 - HB2 ASP 82 lone 2 97 - 2 - HA LYS 31 - HB2 ASP 82 lone 1 83 - 2 - HA THR 38 - HB2 ASP 82 lone 1 100 - 1 - HA HIS 42 - HB2 ASP 82 lone 1 92 - 1 - HA GLU 33 - HB2 ASP 88 lone 1 66 - 2 - HA ASN 63 - HB2 ASP 88 lone 1 77 - 1 - HA ASN 24 - HB2 ASP 88 lone 1 73 - 1 - HA ARG 27 - HB2 ASP 88 lone 1 78 - 1 - HA LEU 12 - HB2 ASP 88 lone 1 73 - 1 - HA THR 38 - HB2 ASP 88 lone 1 77 - 1 - HA HIS 42 - HB2 ASP 88 lone 1 66 - 1 - HA LYS 31 - HB2 ASP 88 lone 0 58 - 1 - Peak 3504 from cnoeabs.peaks (2.69, 2.69, 40.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 82 + HB2 ASP 82 OK 100 100 - 100 HB2 ASP 88 + HB2 ASP 88 OK 58 58 - 100 Peak 3505 from cnoeabs.peaks (2.59, 2.69, 40.82 ppm; 2.40 A): 2 out of 8 assignments used, quality = 1.00: * HB3 ASP 82 + HB2 ASP 82 OK 100 100 - 100 - 1.8=100 HB3 ASP 88 + HB2 ASP 88 OK 74 74 - 100 - 1.8=100 HB3 ASP 88 - HB2 ASP 82 OK 21 98 - 22 - 3508=5, 3501/3.0=3...(12) HB3 ASP 82 - HB2 ASP 88 OK 17 78 - 23 - 3508=4, 3670/3.0=3...(13) HB2 PHE 46 - HB2 ASP 82 lone 5 99 - 5 - HB2 ASP 43 - HB2 ASP 82 lone 4 92 - 4 - HB2 PHE 46 - HB2 ASP 88 lone 2 75 - 2 - HB2 ASP 43 - HB2 ASP 88 lone 1 66 - 1 - Peak 3506 from cnoeabs.peaks (8.54, 2.59, 40.82 ppm; 3.56 A): 3 out of 6 assignments used, quality = 0.90: * H ASP 82 + HB3 ASP 82 OK 82 100 - 82 - 4.0=69, 905/1.8=28...(4) H ASP 82 + HB3 ASP 88 OK 36 94 - 38 - 906=13, 905/1.8=10...(8) H GLY 61 + HB3 ASP 82 OK 13 99 - 13 - 5374=5, 3502/1.8=3...(4) H LEU 76 - HB3 ASP 82 lone 8 100 - 8 - 3498/3.0=3, 3502/1.8=2 H LEU 76 - HB3 ASP 88 lone 6 94 - 6 - 1008/3.6=3, 3502/1.8=1 H GLY 61 - HB3 ASP 88 lone 4 91 - 4 - 5374=2 Peak 3507 from cnoeabs.peaks (4.62, 2.59, 40.82 ppm; 3.42 A): 1 out of 20 assignments used, quality = 1.00: * HA ASP 82 + HB3 ASP 82 OK 100 100 - 100 - 3.0=100 HA ASP 82 - HB3 ASP 88 OK 42 94 - 44 - 3501=10, 3500/1.8=8...(15) HA ASP 43 - HB3 ASP 82 OK 12 96 - 12 - 2236=3, 3503/1.8=2...(4) HA GLU 33 - HB3 ASP 82 OK 12 92 - 12 - 3501=3, 3500/1.8=3...(4) HA ASP 43 - HB3 ASP 88 lone 4 87 - 4 - 2236=1 HA ASN 63 - HB3 ASP 82 lone 3 100 - 3 - HA LEU 12 - HB3 ASP 82 lone 3 97 - 3 - HA ARG 27 - HB3 ASP 82 lone 2 100 - 2 - HA HIS 42 - HB3 ASP 82 lone 2 92 - 2 - HA ASN 24 - HB3 ASP 82 lone 2 97 - 2 - HA GLU 33 - HB3 ASP 88 lone 2 83 - 2 - HA LYS 31 - HB3 ASP 82 lone 2 83 - 2 - HA THR 38 - HB3 ASP 82 lone 2 100 - 2 - HA HIS 42 - HB3 ASP 88 lone 1 83 - 1 - HA ASN 63 - HB3 ASP 88 lone 1 93 - 1 - HA ASN 24 - HB3 ASP 88 lone 1 90 - 1 - HA ARG 27 - HB3 ASP 88 lone 1 94 - 1 - HA LEU 12 - HB3 ASP 88 lone 1 90 - 1 - HA THR 38 - HB3 ASP 88 lone 1 93 - 1 - HA LYS 31 - HB3 ASP 88 lone 1 74 - 1 - Peak 3508 from cnoeabs.peaks (2.69, 2.59, 40.82 ppm; 2.40 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ASP 82 + HB3 ASP 82 OK 100 100 - 100 - 1.8=100 HB2 ASP 88 + HB3 ASP 88 OK 74 74 - 100 - 1.8=100 HB2 ASP 82 - HB3 ASP 88 OK 20 94 - 22 - 3505=5, 3.0/3501=3...(12) HB2 ASP 88 - HB3 ASP 82 OK 18 83 - 22 - 3668=4, 3.0/3664=3...(13) HE3 LYS 44 - HB3 ASP 88 lone 1 57 - 1 - HE3 LYS 44 - HB3 ASP 82 lone 1 65 - 1 - HB3 ASN 90 - HB3 ASP 82 lone 0 60 - 0 - HB3 ASN 90 - HB3 ASP 88 lone 0 52 - 0 - Peak 3509 from cnoeabs.peaks (2.59, 2.59, 40.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 82 + HB3 ASP 82 OK 100 100 - 100 HB3 ASP 88 + HB3 ASP 88 OK 91 91 - 100 Peak 3510 from cnoeabs.peaks (8.07, 4.57, 59.45 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * H THR 83 + HA THR 83 OK 100 100 - 100 - 3.0=100 H GLU 51 - HA THR 83 OK 10 97 - 10 - ~2501=2, 3514/3.0=2...(6) H MET 11 - HA THR 83 lone 6 63 - 10 - 5943/3.8=2, 5944/3.8=2...(5) Peak 3511 from cnoeabs.peaks (4.57, 4.57, 59.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 83 + HA THR 83 OK 100 100 - 100 Peak 3512 from cnoeabs.peaks (4.12, 4.57, 59.45 ppm; 3.36 A): 1 out of 7 assignments used, quality = 1.00: * HB THR 83 + HA THR 83 OK 100 100 - 100 - 3.0=100 HA LYS 26 - HA THR 83 OK 11 81 - 13 - 3520/3.2=3, 4.1/3513=2...(6) HA MET 21 - HA THR 83 lone 5 83 - 7 - 3520/3.2=2, 5952/3.8=1 HB2 SER 62 - HA THR 83 lone 4 99 - 4 - HA LYS 14 - HA THR 83 lone 3 73 - 4 - HA LYS 91 - HA THR 83 lone 2 78 - 2 - HA ALA 74 - HA THR 83 lone 2 71 - 2 - Peak 3513 from cnoeabs.peaks (1.21, 4.57, 59.45 ppm; 3.26 A): 1 out of 8 assignments used, quality = 1.00: * QG2 THR 83 + HA THR 83 OK 100 100 - 100 - 3.2=100 HG3 LYS 26 - HA THR 83 OK 17 99 - 17 - 3517/3.0=3, ~5936=2...(6) HG13 ILE 35 - HA THR 83 OK 11 89 - 12 - 5951/3.8=3, 2139/4.8=3...(5) HD2 LYS 68 - HA THR 83 OK 10 95 - 11 - 5951/3.8=2, 5950/3.8=2...(4) HD3 LYS 68 - HA THR 83 OK 10 93 - 11 - 5951/3.8=2, 5950/3.8=2...(4) QD1 LEU 34 - HA THR 83 lone 8 100 - 8 - 910/3.0=2, 5951/3.8=1 HG2 LYS 14 - HA THR 83 lone 5 97 - 5 - HG2 LYS 17 - HA THR 83 lone 1 68 - 1 - Peak 3514 from cnoeabs.peaks (8.07, 4.12, 69.71 ppm; 3.48 A): 1 out of 3 assignments used, quality = 0.90: * H THR 83 + HB THR 83 OK 90 100 - 90 - 3.8=75, 908/3.0=28...(6) H GLU 51 - HB THR 83 lone 6 97 - 6 - 3510/3.0=2, 3518/2.1=2 H MET 11 - HB THR 83 lone 4 63 - 6 - 5943/4.5=1, 3518/2.1=1...(4) Peak 3515 from cnoeabs.peaks (4.57, 4.12, 69.71 ppm; 3.18 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 83 + HB THR 83 OK 100 100 - 100 - 3.0=100 HA SER 36 - HB THR 83 OK 16 99 - 16 - 3519/2.1=4, 5947/4.5=2...(6) HA HIS 10 - HB THR 83 lone 3 89 - 4 - Peak 3516 from cnoeabs.peaks (4.12, 4.12, 69.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 83 + HB THR 83 OK 100 100 - 100 Peak 3517 from cnoeabs.peaks (1.21, 4.12, 69.71 ppm; 2.83 A): 1 out of 8 assignments used, quality = 1.00: * QG2 THR 83 + HB THR 83 OK 100 100 - 100 - 2.1=100 HG3 LYS 26 - HB THR 83 OK 16 99 - 17 - 3513/3.0=2, 3.0/5936=2...(8) HD2 LYS 68 - HB THR 83 lone 7 95 - 7 - 5951/4.5=1, 3513/3.0=1 HD3 LYS 68 - HB THR 83 lone 7 93 - 7 - 5951/4.5=1, 3513/3.0=1 QD1 LEU 34 - HB THR 83 lone 6 100 - 5 - HG13 ILE 35 - HB THR 83 lone 5 89 - 6 - 5951/4.5=2, 3513/3.0=1 HG2 LYS 14 - HB THR 83 lone 5 97 - 5 - HG2 LYS 17 - HB THR 83 lone 1 68 - 1 - Peak 3518 from cnoeabs.peaks (8.07, 1.21, 21.06 ppm; 4.26 A): 1 out of 3 assignments used, quality = 1.00: * H THR 83 + QG2 THR 83 OK 100 100 - 100 - 3.9=100 H GLU 51 - QG2 THR 83 lone 8 97 - 8 - 3510/3.2=3, 3514/2.1=3 H MET 11 - QG2 THR 83 lone 6 63 - 10 - 5943/4.2=2, 5944/4.2=2...(5) Peak 3519 from cnoeabs.peaks (4.57, 1.21, 21.06 ppm; 3.16 A): 1 out of 3 assignments used, quality = 0.99: * HA THR 83 + QG2 THR 83 OK 99 100 - 99 - 3.2=97, 908/3.9=17...(7) HA SER 36 - QG2 THR 83 OK 16 99 - 16 - 3515/2.1=4, 5947/4.2=2...(6) HA HIS 10 - QG2 THR 83 lone 3 89 - 4 - Peak 3520 from cnoeabs.peaks (4.12, 1.21, 21.06 ppm; 2.89 A): 1 out of 7 assignments used, quality = 1.00: * HB THR 83 + QG2 THR 83 OK 100 100 - 100 - 2.1=100 HA LYS 26 - QG2 THR 83 OK 12 81 - 15 - 1673=2, 3512/3.2=2...(5) HA MET 21 - QG2 THR 83 lone 8 83 - 9 - 3.6/5941=5 HA LYS 14 - QG2 THR 83 lone 3 73 - 5 - HB2 SER 62 - QG2 THR 83 lone 3 99 - 3 - HA ALA 74 - QG2 THR 83 lone 2 71 - 2 - HA LYS 91 - QG2 THR 83 lone 1 78 - 2 - Peak 3521 from cnoeabs.peaks (1.21, 1.21, 21.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 83 + QG2 THR 83 OK 100 100 - 100 Peak 3522 from cnoeabs.peaks (4.37, 3.81, 50.77 ppm; 4.27 A): 3 out of 6 assignments used, quality = 1.00: * HA PRO 84 + HD2 PRO 84 OK 100 100 - 100 - 3.6=100 HA ILE 35 + HD2 PRO 84 OK 61 98 - 63 - 3557/2.3=13, 3550/3.0=13...(19) HA PRO 84 + HD3 PRO 19 OK 53 73 - 73 - 3541=12, 3.6/3534=11...(22) HA ILE 35 - HD3 PRO 19 OK 18 69 - 27 - 2112/2.3=3, ~4375=3...(14) HA ARG 45 - HD2 PRO 84 OK 12 95 - 12 - 3557/2.3=2, 3529/1.8=2...(5) HA ARG 45 - HD3 PRO 19 lone 2 65 - 3 - Peak 3523 from cnoeabs.peaks (2.25, 3.81, 50.77 ppm; 4.14 A): 3 out of 8 assignments used, quality = 1.00: * HB2 PRO 84 + HD2 PRO 84 OK 100 100 - 100 - 3.0=100 HB2 PRO 84 + HD3 PRO 19 OK 65 73 - 89 - 2.3/3562=13, 3.0/3534=12...(47) HG3 MET 11 + HD2 PRO 84 OK 57 100 - 57 - 3558/2.3=9, 3530/1.8=9...(18) HG3 GLN 58 - HD2 PRO 84 OK 41 83 - 49 - 3558/2.3=7, 3530/1.8=7...(22) HE2 LYS 68 - HD2 PRO 84 OK 19 60 - 32 - 3558/2.3=3, 3530/1.8=3...(14) HG3 GLN 58 - HD3 PRO 19 OK 15 54 - 28 - 2763/2.3=3, 2764/2.3=2...(12) HG3 MET 11 - HD3 PRO 19 lone 7 72 - 10 - 3558/3562=1, 3530/3534=1 HE2 LYS 68 - HD3 PRO 19 poor 6 37 - 15 - 7.3/316=1, 3.0/5950=1 Peak 3524 from cnoeabs.peaks (1.85, 3.81, 50.77 ppm; 3.79 A): 7 out of 18 assignments used, quality = 1.00: * HB3 PRO 84 + HD2 PRO 84 OK 100 100 - 100 - 3.0=100 HG3 PRO 19 + HD2 PRO 84 OK 77 95 - 82 - 2.3/1443=9, 1485=8...(41) HG2 PRO 81 + HD2 PRO 84 OK 70 99 - 70 - 3559/2.3=7, 1.8/3569=7...(41) HG3 PRO 19 + HD3 PRO 19 OK 65 65 - 100 - 2.3=100 HB3 PRO 84 + HD3 PRO 19 OK 62 73 - 84 - 2.3/3562=12, 3.0/3534=11...(43) HB2 GLU 49 + HD2 PRO 84 OK 55 98 - 57 - 2462/2.3=5, ~4972=5...(29) HB ILE 35 + HD2 PRO 84 OK 54 85 - 63 - 2118/3.6=6, 3.0/3522=6...(28) HG2 PRO 81 - HD3 PRO 19 OK 38 71 - 53 - ~5916=5, 1476/2.3=5...(26) HB3 LYS 78 - HD2 PRO 84 OK 29 90 - 32 - 3309/2.3=3, 3531/1.8=3...(20) HB3 LYS 78 - HD3 PRO 19 OK 23 60 - 39 - 5819/1.8=4, 5819/3.6=4...(18) HB VAL 66 - HD3 PRO 19 OK 21 66 - 32 - ~4350=5, 4.5/827=4...(14) HB2 GLU 22 - HD3 PRO 19 OK 20 66 - 30 - 4144/3.6=7, ~4369=3...(13) HB2 GLU 22 - HD2 PRO 84 OK 19 96 - 20 - 1557/2.3=2, 3559/2.3=2...(8) HB ILE 35 - HD3 PRO 19 OK 15 55 - 28 - ~4375=3, ~4353=3...(12) HB VAL 66 - HD2 PRO 84 lone 9 96 - 10 - 4.5/827=2 HB3 GLU 37 - HD2 PRO 84 lone 7 99 - 7 - HB3 GLU 37 - HD3 PRO 19 lone 7 71 - 9 - HB2 GLU 49 - HD3 PRO 19 lone 6 69 - 9 - Peak 3525 from cnoeabs.peaks (2.00, 3.81, 50.77 ppm; 3.19 A): 6 out of 24 assignments used, quality = 1.00: * HG2 PRO 84 + HD2 PRO 84 OK 100 100 - 100 - 2.3=100 HB3 PRO 19 + HD2 PRO 84 OK 67 96 - 71 - 3532/1.8=6, 3.0/1443=5...(49) HB3 PRO 19 + HD3 PRO 19 OK 66 66 - 100 - 3.0=100 HB2 PRO 19 + HD2 PRO 84 OK 64 90 - 70 - 3.0/1443=5, 3532/1.8=5...(48) HB2 PRO 19 + HD3 PRO 19 OK 60 60 - 100 - 3.0=100 HG2 PRO 84 + HD3 PRO 19 OK 53 73 - 73 - 3562=14, 2.3/3534=10...(37) HB3 PRO 81 - HD2 PRO 84 OK 37 68 - 54 - 2.3/3569=4, 1.8/5919=4...(34) HB3 GLU 49 - HD2 PRO 84 OK 35 78 - 44 - 2465/3.0=4, 2468/2.3=3...(27) HG2 GLU 49 - HD2 PRO 84 OK 34 83 - 41 - 4972/3.0=6, ~4983=4...(21) HB2 LYS 78 - HD2 PRO 84 OK 24 100 - 24 - 3300/3.0=3, 3303/2.3=2...(11) HE3 LYS 68 - HD2 PRO 84 OK 21 98 - 21 - 3.0/5950=2, 3.0/5950=2...(11) HB2 LYS 78 - HD3 PRO 19 OK 18 73 - 25 - 3300/2.3=4, ~5819=3...(13) HB3 PRO 81 - HD3 PRO 19 OK 14 43 - 33 - ~5916=3, 1481/2.3=2...(20) HB2 LEU 34 - HD2 PRO 84 OK 13 100 - 13 - 3532/1.8=1, ~2084=1 HB2 LEU 34 - HD3 PRO 19 OK 12 73 - 16 - 2075/4.8=2, ~4373=1...(8) HB2 GLU 25 - HD3 PRO 19 poor 9 73 - 12 - 1645/3.6=2, ~1652=1 HE3 LYS 68 - HD3 PRO 19 lone 6 69 - 8 - HG2 GLU 49 - HD3 PRO 19 lone 3 54 - 6 - 4935/4.8=1 HB2 GLU 51 - HD2 PRO 84 lone 3 63 - 4 - 2507/4.8=2 HB3 GLU 49 - HD3 PRO 19 lone 3 50 - 5 - HB2 GLU 25 - HD2 PRO 84 lone 3 100 - 2 - HB2 LEU 23 - HD2 PRO 84 lone 2 83 - 3 - HB2 GLU 51 - HD3 PRO 19 lone 1 39 - 3 - HB2 LEU 23 - HD3 PRO 19 lone 1 54 - 2 - Peak 3526 from cnoeabs.peaks (1.95, 3.81, 50.77 ppm; 3.01 A): 4 out of 30 assignments used, quality = 1.00: * HG3 PRO 84 + HD2 PRO 84 OK 100 100 - 100 - 2.3=100 HG2 PRO 19 + HD3 PRO 19 OK 67 67 - 100 - 2.3=100 HG2 PRO 19 + HD2 PRO 84 OK 64 97 - 66 - 3561/2.3=6, 2.3/1443=6...(37) HG3 PRO 84 + HD3 PRO 19 OK 51 73 - 69 - 2.3/3534=9, 1.8/3562=9...(35) HB3 PRO 81 - HD2 PRO 84 OK 43 81 - 54 - 3561/2.3=4, 2.3/3569=4...(35) HG3 PRO 81 - HD2 PRO 84 OK 32 60 - 54 - 3570/1.8=6, 3569=6...(33) HG3 GLU 49 - HD2 PRO 84 OK 26 78 - 33 - ~4972=4, 4983/3.0=4...(19) HB2 GLN 58 - HD2 PRO 84 OK 24 96 - 25 - 3561/2.3=2, 3533/1.8=2...(13) HB3 PRO 81 - HD3 PRO 19 OK 16 52 - 30 - ~5916=3, 1482/2.3=2...(16) HB3 GLU 22 - HD2 PRO 84 OK 13 99 - 13 - 1562/3.0=1, 3561/2.3=1 HG3 PRO 81 - HD3 PRO 19 OK 13 37 - 35 - ~5916=3, 3569=2, ~1476=2...(22) HB VAL 20 - HD3 PRO 19 OK 13 67 - 19 - 4.0/58=5, 4145/3.6=2...(7) HB3 GLU 22 - HD3 PRO 19 OK 13 71 - 18 - 4146/3.6=3, ~4369=2...(6) HB VAL 20 - HD2 PRO 84 lone 9 97 - 9 - 4.0/58=2 HD2 LYS 78 - HD2 PRO 84 poor 9 63 - 14 - 3340/3.0=1, ~3349=1, ~3350=1 HB VAL 47 - HD2 PRO 84 lone 8 87 - 9 - ~6192=1, 4.4/4872=1 HB2 GLN 58 - HD3 PRO 19 poor 8 66 - 12 - ~2747=1 HB2 LEU 76 - HD3 PRO 19 lone 7 73 - 9 - ~6048=1, 4145/3.6=1 HD2 LYS 78 - HD3 PRO 19 poor 6 39 - 15 - 3340/2.3=2, ~3350=2...(6) HB2 GLU 51 - HD2 PRO 84 lone 5 85 - 6 - 2507/4.8=2 HB2 GLU 33 - HD3 PRO 19 lone 5 71 - 7 - 3912/4.8=1 HB2 LEU 76 - HD2 PRO 84 lone 5 100 - 5 - HB2 GLU 33 - HD2 PRO 84 lone 5 99 - 5 - HB2 GLU 77 - HD3 PRO 19 lone 5 68 - 7 - ~4369=1 QE MET 48 - HD2 PRO 84 lone 4 87 - 5 - QE MET 48 - HD3 PRO 19 lone 4 57 - 7 - 4920/4.8=1 HB2 GLU 77 - HD2 PRO 84 lone 4 97 - 4 - HB VAL 47 - HD3 PRO 19 lone 3 57 - 5 - 4.4/4872=1 HG3 GLU 49 - HD3 PRO 19 lone 3 50 - 6 - HB2 GLU 51 - HD3 PRO 19 lone 2 55 - 3 - Peak 3527 from cnoeabs.peaks (3.81, 3.81, 50.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 84 + HD2 PRO 84 OK 100 100 - 100 HD3 PRO 19 + HD3 PRO 19 OK 46 46 - 100 Peak 3528 from cnoeabs.peaks (3.67, 3.81, 50.77 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HD3 PRO 84 + HD2 PRO 84 OK 100 100 - 100 - 1.8=100 HD3 PRO 84 - HD3 PRO 19 OK 40 73 - 54 - 3534=13, 2.3/3562=5...(24) HA2 GLY 16 - HD2 PRO 84 OK 25 100 - 25 - 3563/2.3=4, 3570/2.3=4...(10) HA2 GLY 16 - HD3 PRO 19 lone 6 72 - 8 - Peak 3529 from cnoeabs.peaks (4.37, 3.67, 50.77 ppm; 4.87 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 84 + HD3 PRO 84 OK 100 100 - 100 - 3.6=100 HA ILE 35 + HD3 PRO 84 OK 69 98 - 71 - 3557/2.3=16, 3550/3.0=16...(21) HA ARG 45 - HD3 PRO 84 OK 13 95 - 14 - 3557/2.3=3, 3550/3.0=3...(5) Peak 3530 from cnoeabs.peaks (2.25, 3.67, 50.77 ppm; 4.53 A): 3 out of 4 assignments used, quality = 1.00: * HB2 PRO 84 + HD3 PRO 84 OK 100 100 - 100 - 3.0=100 HG3 MET 11 + HD3 PRO 84 OK 63 100 - 63 - 3558/2.3=10, 3549=10...(20) HG3 GLN 58 + HD3 PRO 84 OK 46 83 - 55 - 3558/2.3=8, 3565/2.3=6...(23) HE2 LYS 68 - HD3 PRO 84 OK 22 60 - 37 - 3.0/5951=5, 3.0/5951=5...(18) Peak 3531 from cnoeabs.peaks (1.85, 3.67, 50.77 ppm; 3.90 A): 5 out of 9 assignments used, quality = 1.00: * HB3 PRO 84 + HD3 PRO 84 OK 100 100 - 100 - 3.0=100 HG3 PRO 19 + HD3 PRO 84 OK 80 95 - 85 - 2.3/3534=12, 1485/1.8=10...(41) HG2 PRO 81 + HD3 PRO 84 OK 72 99 - 73 - 1.8/3570=9, 3559/2.3=7...(44) HB2 GLU 49 + HD3 PRO 84 OK 57 98 - 59 - ~4972=5, 2462/2.3=5...(30) HB ILE 35 + HD3 PRO 84 OK 56 85 - 66 - 3.0/3529=8, 2118/3.6=7...(28) HB3 LYS 78 - HD3 PRO 84 OK 31 90 - 34 - 3309/2.3=3, 1.8/3532=3...(21) HB2 GLU 22 - HD3 PRO 84 OK 20 96 - 20 - 1557/2.3=2, 1.8/3533=2...(9) HB3 GLU 37 - HD3 PRO 84 lone 7 99 - 7 - HB VAL 66 - HD3 PRO 84 lone 7 96 - 7 - ~4359=1 Peak 3532 from cnoeabs.peaks (2.00, 3.67, 50.77 ppm; 3.28 A): 3 out of 12 assignments used, quality = 1.00: * HG2 PRO 84 + HD3 PRO 84 OK 100 100 - 100 - 2.3=100 HB3 PRO 19 + HD3 PRO 84 OK 72 96 - 76 - 3.0/3534=9, 2.3/3533=6...(55) HB2 PRO 19 + HD3 PRO 84 OK 68 90 - 76 - 3.0/3534=9, 2.3/3533=6...(55) HB3 PRO 81 - HD3 PRO 84 OK 38 68 - 56 - 2.3/3570=6, ~5919=5...(39) HB3 GLU 49 - HD3 PRO 84 OK 37 78 - 47 - 2465/3.0=4, 1.8/3531=4...(26) HG2 GLU 49 - HD3 PRO 84 OK 37 83 - 44 - 4972/3.0=7, ~4983=4...(22) HB2 LYS 78 - HD3 PRO 84 OK 26 100 - 26 - 3300/3.0=3, 3303/2.3=2...(10) HE3 LYS 68 - HD3 PRO 84 OK 22 98 - 22 - 3.0/5951=3, 3.0/5951=3...(11) HB2 LEU 34 - HD3 PRO 84 OK 14 100 - 14 - 3.1/5951=2, ~2084=1 HB2 GLU 51 - HD3 PRO 84 lone 3 63 - 4 - 2507/4.8=2 HB2 GLU 25 - HD3 PRO 84 lone 3 100 - 3 - HB2 LEU 23 - HD3 PRO 84 lone 3 83 - 3 - Peak 3533 from cnoeabs.peaks (1.95, 3.67, 50.77 ppm; 3.35 A): 3 out of 15 assignments used, quality = 1.00: * HG3 PRO 84 + HD3 PRO 84 OK 100 100 - 100 - 2.3=100 HG2 PRO 19 + HD3 PRO 84 OK 75 97 - 78 - 2.3/3534=11, 1478/1.8=7...(47) HB3 PRO 81 + HD3 PRO 84 OK 50 81 - 63 - 2.3/3570=6, ~5919=5...(43) HG3 PRO 81 - HD3 PRO 84 OK 39 60 - 65 - 3570=10, 3569/1.8=5...(41) HG3 GLU 49 - HD3 PRO 84 OK 34 78 - 43 - ~4972=5, 4983/3.0=5...(23) HB2 GLN 58 - HD3 PRO 84 OK 29 96 - 31 - 2.9/3530=3, 3561/2.3=3...(17) HB3 GLU 22 - HD3 PRO 84 OK 16 99 - 16 - 1562/3.0=2, 3561/2.3=1 HD2 LYS 78 - HD3 PRO 84 OK 12 63 - 19 - 3340/3.0=2, ~3349=1...(8) HB VAL 47 - HD3 PRO 84 poor 9 87 - 10 - ~6192=2 HB VAL 20 - HD3 PRO 84 lone 8 97 - 9 - ~4150=1 HB2 GLU 51 - HD3 PRO 84 lone 6 85 - 7 - 2507/4.8=2, 5937/3.8=1 HB2 LEU 76 - HD3 PRO 84 lone 6 100 - 6 - HB2 GLU 33 - HD3 PRO 84 lone 5 99 - 5 - QE MET 48 - HD3 PRO 84 lone 5 87 - 5 - HB2 GLU 77 - HD3 PRO 84 lone 4 97 - 4 - Peak 3534 from cnoeabs.peaks (3.81, 3.67, 50.77 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HD2 PRO 84 + HD3 PRO 84 OK 100 100 - 100 - 1.8=100 HD3 PRO 19 - HD3 PRO 84 OK 39 73 - 54 - 3528=12, 3562/2.3=5...(24) HA ALA 67 - HD3 PRO 84 lone 8 92 - 9 - 3562/2.3=1, 3569/2.3=1 HA2 GLY 29 - HD3 PRO 84 lone 4 92 - 4 - Peak 3535 from cnoeabs.peaks (3.67, 3.67, 50.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 84 + HD3 PRO 84 OK 100 100 - 100 Peak 3536 from cnoeabs.peaks (4.37, 4.37, 62.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 84 + HA PRO 84 OK 100 100 - 100 Peak 3537 from cnoeabs.peaks (2.25, 4.37, 62.94 ppm; 3.11 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 84 + HA PRO 84 OK 100 100 - 100 - 2.3=100 HG3 MET 11 - HA PRO 84 OK 35 100 - 36 - 3543=7, 3551/2.3=6...(14) HG3 GLN 58 - HA PRO 84 OK 23 83 - 28 - 3551/2.3=5, 3558/3.8=3...(12) HE2 LYS 68 - HA PRO 84 poor 7 60 - 12 - 3551/2.3=2, 3558/3.8=1...(4) Peak 3538 from cnoeabs.peaks (1.85, 4.37, 62.94 ppm; 3.58 A): 5 out of 9 assignments used, quality = 1.00: * HB3 PRO 84 + HA PRO 84 OK 100 100 - 100 - 2.3=100 HG3 PRO 19 + HA PRO 84 OK 55 95 - 58 - 2.3/3541=6, 1485/3.6=6...(23) HB ILE 35 + HA PRO 84 OK 54 85 - 64 - 2118=11, 2.1/2125=9...(24) HG2 PRO 81 + HA PRO 84 OK 49 99 - 49 - 3545/2.3=5, 1.8/3564=5...(24) HB2 GLU 49 + HA PRO 84 OK 46 98 - 47 - ~4972=5, ~4983=5...(22) HB3 LYS 78 - HA PRO 84 OK 19 90 - 21 - ~3300=2, 3309/3.8=2...(12) HB2 GLU 22 - HA PRO 84 OK 14 96 - 14 - ~1562=1, 1.8/3540=1...(7) HB3 GLU 37 - HA PRO 84 lone 9 99 - 8 - 4.1/4114=2 HB VAL 66 - HA PRO 84 lone 6 96 - 6 - Peak 3539 from cnoeabs.peaks (2.00, 4.37, 62.94 ppm; 4.72 A): 5 out of 12 assignments used, quality = 1.00: * HG2 PRO 84 + HA PRO 84 OK 100 100 - 100 - 3.8=100 HB3 PRO 19 + HA PRO 84 OK 73 96 - 77 - 3.0/3541=10, 3553/2.3=8...(27) HB2 PRO 19 + HA PRO 84 OK 69 90 - 77 - 3.0/3541=10, 3553/2.3=7...(27) HG2 GLU 49 + HA PRO 84 OK 51 83 - 62 - 4972/2.3=15, ~4983=11...(19) HB3 GLU 49 + HA PRO 84 OK 49 78 - 63 - ~4972=10, ~4983=9...(22) HB3 PRO 81 - HA PRO 84 OK 41 68 - 61 - 2.3/3564=7, 2.3/3538=6...(21) HB2 LYS 78 - HA PRO 84 OK 30 100 - 30 - 3300/2.3=5, 3303/3.8=3...(13) HE3 LYS 68 - HA PRO 84 OK 21 98 - 22 - 4.9/5954=3, 3111/2.3=2...(11) HB2 LEU 34 - HA PRO 84 OK 20 100 - 20 - 4.2/669=7, ~4678=2...(6) HB2 LEU 23 - HA PRO 84 lone 5 83 - 6 - 400/3.6=1 HB2 GLU 25 - HA PRO 84 lone 3 100 - 3 - HB2 GLU 51 - HA PRO 84 lone 2 63 - 3 - Peak 3540 from cnoeabs.peaks (1.95, 4.37, 62.94 ppm; 4.00 A): 2 out of 15 assignments used, quality = 1.00: * HG3 PRO 84 + HA PRO 84 OK 100 100 - 100 - 3.8=100 HG2 PRO 19 + HA PRO 84 OK 64 97 - 67 - 1476/2.3=9, 2.3/3541=8...(25) HB3 PRO 81 - HA PRO 84 OK 45 81 - 56 - 3554/2.3=6, 2.3/3538=5...(23) HG3 GLU 49 - HA PRO 84 OK 37 78 - 48 - ~4972=10, 4983/2.3=9...(16) HG3 PRO 81 - HA PRO 84 OK 35 60 - 58 - 3564=7, 3570/3.6=6...(22) HB2 GLN 58 - HA PRO 84 OK 31 96 - 32 - 2.9/3537=5, ~2750=4...(12) HB3 GLU 22 - HA PRO 84 OK 16 99 - 16 - 1562/2.3=2, 1.8/3538=2...(9) HB VAL 47 - HA PRO 84 OK 14 87 - 16 - ~6192=3, 4838/2132=2...(7) HD2 LYS 78 - HA PRO 84 OK 12 63 - 19 - ~3350=3, 3340/2.3=2...(7) HB2 GLU 33 - HA PRO 84 lone 8 99 - 8 - 4653/2146=2, 4654/2125=1 HB2 LEU 76 - HA PRO 84 lone 8 100 - 8 - 3.1/5955=2, 401/3.6=1 QE MET 48 - HA PRO 84 lone 6 87 - 7 - 4919/669=2 HB VAL 20 - HA PRO 84 lone 5 97 - 6 - HB2 GLU 77 - HA PRO 84 lone 5 97 - 5 - HB2 GLU 51 - HA PRO 84 lone 3 85 - 4 - 5937/4.8=1 Peak 3541 from cnoeabs.peaks (3.81, 4.37, 62.94 ppm; 4.63 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 84 + HA PRO 84 OK 100 100 - 100 - 3.6=100 HD3 PRO 19 + HA PRO 84 OK 57 73 - 77 - 3555/2.3=12, 3534/3.6=12...(22) HA ALA 67 - HA PRO 84 OK 23 92 - 24 - 3555/2.3=5, 3548/2.3=4...(10) HA2 GLY 29 - HA PRO 84 OK 10 92 - 11 - 3555/2.3=2, 3548/2.3=2...(5) Peak 3542 from cnoeabs.peaks (3.67, 4.37, 62.94 ppm; 4.54 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 84 + HA PRO 84 OK 100 100 - 100 - 3.6=100 HA2 GLY 16 + HA PRO 84 OK 59 100 - 59 - 3556/2.3=15, 403/3.6=11...(10) Peak 3543 from cnoeabs.peaks (4.37, 2.25, 31.39 ppm; 3.40 A): 2 out of 6 assignments used, quality = 1.00: * HA PRO 84 + HB2 PRO 84 OK 100 100 - 100 - 2.3=100 HA ILE 35 + HB2 PRO 84 OK 56 98 - 57 - 3550/1.8=11, 3557/2.3=8...(20) HA PRO 84 - HG3 MET 11 OK 37 86 - 43 - 3537=11, 2.3/3551=7...(14) HA ILE 35 - HG3 MET 11 poor 9 82 - 11 - 4.1/4743=2, 4.2/6165=1 HA ARG 45 - HB2 PRO 84 lone 9 95 - 9 - 3550/1.8=2, 3557/2.3=2...(4) HA ARG 45 - HG3 MET 11 lone 1 77 - 1 - Peak 3544 from cnoeabs.peaks (2.25, 2.25, 31.39 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 84 + HB2 PRO 84 OK 100 100 - 100 HG3 MET 11 + HG3 MET 11 OK 85 85 - 100 Peak 3545 from cnoeabs.peaks (1.85, 2.25, 31.39 ppm; 2.64 A): 2 out of 18 assignments used, quality = 1.00: * HB3 PRO 84 + HB2 PRO 84 OK 100 100 - 100 - 1.8=100 HG3 PRO 19 + HB2 PRO 84 OK 48 95 - 51 - 3559/2.3=4, 1482/2.3=3...(31) HG2 PRO 81 - HB2 PRO 84 OK 42 99 - 43 - 2.3/1143=4, 3559/2.3=4...(23) HB2 GLU 49 - HB2 PRO 84 OK 37 98 - 38 - 3.0/4972=5, 3.0/4983=4...(16) HB ILE 35 - HB2 PRO 84 OK 37 85 - 43 - 3.2/4743=5, 2118/2.3=4...(24) HB3 PRO 84 - HG3 MET 11 OK 27 86 - 32 - 3551=9, 2.3/3537=5...(10) HG2 PRO 81 - HG3 MET 11 OK 21 84 - 25 - 3485/1.8=3, 2.3/1143=3...(13) HB3 LYS 78 - HB2 PRO 84 OK 16 90 - 17 - 3309/2.3=2, ~3300=1...(4) HB2 GLU 22 - HB2 PRO 84 poor 10 96 - 10 - 1557/2.3=1 HB VAL 66 - HG3 MET 11 lone 7 79 - 9 - ~4241=3, ~4244=3, ~5464=1 HB3 GLU 37 - HB2 PRO 84 lone 4 99 - 4 - HB2 GLU 49 - HG3 MET 11 lone 4 82 - 5 - HB ILE 35 - HG3 MET 11 lone 4 67 - 5 - 3.2/4743=1 HB3 LYS 78 - HG3 MET 11 lone 4 73 - 5 - HB VAL 66 - HB2 PRO 84 lone 3 96 - 4 - HG3 PRO 19 - HG3 MET 11 lone 2 77 - 2 - HB3 GLU 37 - HG3 MET 11 lone 1 84 - 1 - HB2 GLU 22 - HG3 MET 11 lone 1 79 - 1 - Peak 3546 from cnoeabs.peaks (2.00, 2.25, 31.39 ppm; 3.58 A): 5 out of 24 assignments used, quality = 1.00: * HG2 PRO 84 + HB2 PRO 84 OK 100 100 - 100 - 2.3=100 HB3 PRO 19 + HB2 PRO 84 OK 78 96 - 82 - 3553/1.8=7, 3532/3.0=5...(58) HB2 PRO 19 + HB2 PRO 84 OK 74 90 - 81 - 3553/1.8=6, 3.0/3548=5...(58) HG2 GLU 49 + HB2 PRO 84 OK 52 83 - 63 - 4972=11, 1.8/4983=9...(30) HB3 GLU 49 + HB2 PRO 84 OK 51 78 - 65 - 3.0/4972=10, 3.0/4983=8...(35) HB3 PRO 81 - HB2 PRO 84 OK 43 68 - 63 - 1.8/1143=7, ~5919=5...(39) HG2 PRO 84 - HG3 MET 11 OK 41 86 - 48 - 3558=11, 2.3/3551=8...(14) HB2 LYS 78 - HB2 PRO 84 OK 32 100 - 32 - 3300/1.8=4, 3303/2.3=3...(18) HE3 LYS 68 - HB2 PRO 84 OK 25 98 - 25 - ~3558=2, ~3102=2...(12) HB3 PRO 81 - HG3 MET 11 OK 22 52 - 43 - 1.8/1143=5, ~3464=4...(17) HB2 LEU 34 - HB2 PRO 84 OK 17 100 - 17 - 3553/1.8=1, ~2084=1...(5) HB2 LYS 78 - HG3 MET 11 poor 10 86 - 11 - 3300/3.0=1, 3303/3.0=1 HG2 GLU 49 - HG3 MET 11 lone 6 65 - 10 - 4972=2, 1.8/4983=2, 3.7/4958=1 HB3 GLU 49 - HG3 MET 11 lone 6 61 - 9 - 3.0/4972=2, 3.0/4983=1...(4) HE3 LYS 68 - HG3 MET 11 lone 4 82 - 5 - HB2 LEU 23 - HB2 PRO 84 lone 4 83 - 5 - HB3 PRO 19 - HG3 MET 11 lone 3 79 - 4 - HB2 GLU 25 - HB2 PRO 84 lone 3 100 - 3 - HB2 LEU 23 - HG3 MET 11 lone 3 65 - 5 - ~4245=2, ~4243=1 HB2 PRO 19 - HG3 MET 11 lone 3 73 - 4 - HB2 LEU 34 - HG3 MET 11 lone 3 86 - 3 - ~4244=1 HB2 GLU 51 - HB2 PRO 84 lone 2 63 - 3 - HB2 GLU 25 - HG3 MET 11 lone 1 86 - 1 - HB2 GLU 51 - HG3 MET 11 lone 0 48 - 1 - Peak 3547 from cnoeabs.peaks (1.95, 2.25, 31.39 ppm; 3.31 A): 3 out of 30 assignments used, quality = 1.00: * HG3 PRO 84 + HB2 PRO 84 OK 100 100 - 100 - 2.3=100 HG2 PRO 19 + HB2 PRO 84 OK 70 97 - 73 - 1476/1.8=8, 3561/2.3=7...(44) HB3 PRO 81 + HB2 PRO 84 OK 50 81 - 62 - 1.8/1143=6, 3554/1.8=5...(37) HG3 GLU 49 - HB2 PRO 84 OK 40 78 - 51 - 1.8/4972=10, 4983=6...(24) HB2 GLN 58 - HB2 PRO 84 OK 38 96 - 40 - 1.8/2750=4, 2.9/2758=4...(23) HG3 PRO 81 - HB2 PRO 84 OK 38 60 - 63 - 3565=6, 2.3/1143=6...(34) HG3 PRO 84 - HG3 MET 11 OK 36 86 - 42 - 1.8/3558=7, 2.3/3551=7...(14) HB3 PRO 81 - HG3 MET 11 OK 26 63 - 41 - 1.8/1143=5, ~3464=3...(18) HB3 GLU 22 - HB2 PRO 84 OK 16 99 - 16 - 1562/1.8=2, 3561/2.3=1 HG3 PRO 81 - HG3 MET 11 OK 16 45 - 34 - 2.3/1143=4, ~3485=4...(13) HB2 GLN 58 - HG3 MET 11 OK 13 79 - 17 - 1.8/2750=2, 2.9/2734=1 HD2 LYS 78 - HB2 PRO 84 OK 12 63 - 20 - 3340/1.8=2, ~3350=2...(9) HB VAL 47 - HB2 PRO 84 OK 12 87 - 14 - 2.1/6192=3, 2.1/6192=1...(5) HB VAL 20 - HB2 PRO 84 lone 8 97 - 8 - ~4150=1 HB2 GLU 33 - HB2 PRO 84 lone 8 99 - 8 - 4653/4743=2 HB2 LEU 76 - HB2 PRO 84 lone 6 100 - 6 - HD2 LYS 78 - HG3 MET 11 poor 6 48 - 12 - 3340/3.0=1, ~1137=1...(5) QE MET 48 - HB2 PRO 84 lone 5 87 - 6 - HG3 GLU 49 - HG3 MET 11 lone 4 61 - 7 - 1.8/4972=2, 4983=1 HB2 GLU 77 - HB2 PRO 84 lone 4 97 - 4 - HG2 PRO 19 - HG3 MET 11 lone 3 80 - 4 - HB2 GLU 51 - HB2 PRO 84 lone 3 85 - 3 - QE MET 48 - HG3 MET 11 lone 2 69 - 3 - HB VAL 47 - HG3 MET 11 lone 2 69 - 3 - HB2 GLU 33 - HG3 MET 11 lone 2 84 - 2 - HB VAL 20 - HG3 MET 11 lone 2 80 - 2 - HB3 GLU 22 - HG3 MET 11 lone 1 84 - 1 - HB2 LEU 76 - HG3 MET 11 lone 1 86 - 1 - HB2 GLU 77 - HG3 MET 11 lone 1 81 - 1 - HB2 GLU 51 - HG3 MET 11 lone 0 67 - 1 - Peak 3548 from cnoeabs.peaks (3.81, 2.25, 31.39 ppm; 4.41 A): 3 out of 8 assignments used, quality = 1.00: * HD2 PRO 84 + HB2 PRO 84 OK 100 100 - 100 - 3.0=100 HD3 PRO 19 + HB2 PRO 84 OK 67 73 - 92 - 3562/2.3=14, 3534/3.0=12...(47) HD2 PRO 84 + HG3 MET 11 OK 51 86 - 60 - 1.8/3530=10, 2.3/3558=10...(17) HA ALA 67 - HB2 PRO 84 OK 26 92 - 28 - 3555/1.8=5, 3541/2.3=4...(10) HA2 GLY 29 - HB2 PRO 84 OK 12 92 - 13 - 3555/1.8=2, 3562/2.3=2...(7) HA ALA 67 - HG3 MET 11 lone 6 74 - 9 - ~5506=2, 5486/4249=1, ~5505=1 HD3 PRO 19 - HG3 MET 11 poor 6 57 - 11 - 3562/3558=1, 3534/3530=1, 3523=1 HA2 GLY 29 - HG3 MET 11 lone 6 74 - 7 - 3.6/519=2, 3889/5.0=1 Peak 3549 from cnoeabs.peaks (3.67, 2.25, 31.39 ppm; 4.82 A): 3 out of 4 assignments used, quality = 1.00: * HD3 PRO 84 + HB2 PRO 84 OK 100 100 - 100 - 3.0=100 HA2 GLY 16 + HB2 PRO 84 OK 72 100 - 72 - 3556/1.8=17, 3542/2.3=15...(15) HD3 PRO 84 + HG3 MET 11 OK 58 86 - 67 - 3530=14, 2.3/3558=11...(20) HA2 GLY 16 - HG3 MET 11 lone 7 85 - 8 - 3563/3558=1, 3556/3551=1 Peak 3550 from cnoeabs.peaks (4.37, 1.85, 31.39 ppm; 3.86 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 84 + HB3 PRO 84 OK 100 100 - 100 - 2.3=100 HA ILE 35 + HB3 PRO 84 OK 67 98 - 69 - 3543/1.8=11, 3557/2.3=11...(25) HA ARG 45 - HB3 PRO 84 OK 11 95 - 11 - 3557/2.3=2, 3543/1.8=2...(5) Peak 3551 from cnoeabs.peaks (2.25, 1.85, 31.39 ppm; 2.57 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 84 + HB3 PRO 84 OK 100 100 - 100 - 1.8=100 HG3 MET 11 - HB3 PRO 84 OK 27 100 - 27 - 3537/2.3=4, 3558/2.3=4...(11) HG3 GLN 58 - HB3 PRO 84 OK 20 83 - 24 - 3558/2.3=3, 3537/2.3=3...(8) HE2 LYS 68 - HB3 PRO 84 poor 7 60 - 12 - 3558/2.3=1 Peak 3552 from cnoeabs.peaks (1.85, 1.85, 31.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 84 + HB3 PRO 84 OK 100 100 - 100 Peak 3553 from cnoeabs.peaks (2.00, 1.85, 31.39 ppm; 3.04 A): 3 out of 12 assignments used, quality = 1.00: * HG2 PRO 84 + HB3 PRO 84 OK 100 100 - 100 - 2.3=100 HB3 PRO 19 + HB3 PRO 84 OK 69 96 - 72 - 2.3/1476=6, 1469=4...(55) HB2 PRO 19 + HB3 PRO 84 OK 65 90 - 72 - 2.3/1476=6, 1469=4...(55) HB3 GLU 49 - HB3 PRO 84 OK 42 78 - 54 - 2465=7, ~4972=4...(24) HG2 GLU 49 - HB3 PRO 84 OK 41 83 - 50 - 2471=7, 4972/1.8=7...(23) HB3 PRO 81 - HB3 PRO 84 OK 41 68 - 60 - 1.8/3473=5, 3.0/3452=4...(36) HB2 LYS 78 - HB3 PRO 84 OK 32 100 - 32 - 3300=4, 3303/2.3=2...(12) HE3 LYS 68 - HB3 PRO 84 OK 17 98 - 17 - 3111/1.8=2, 1.8/3551=2...(6) HB2 LEU 34 - HB3 PRO 84 OK 14 100 - 14 - 4.2/670=2, 3.1/4678=1 HB2 LEU 23 - HB3 PRO 84 lone 4 83 - 5 - HB2 GLU 25 - HB3 PRO 84 lone 3 100 - 3 - HB2 GLU 51 - HB3 PRO 84 lone 1 63 - 2 - Peak 3554 from cnoeabs.peaks (1.95, 1.85, 31.39 ppm; 2.80 A): 3 out of 15 assignments used, quality = 1.00: * HG3 PRO 84 + HB3 PRO 84 OK 100 100 - 100 - 2.3=100 HG2 PRO 19 + HB3 PRO 84 OK 64 97 - 66 - 1476=9, 3561/2.3=5...(41) HB3 PRO 81 + HB3 PRO 84 OK 46 81 - 57 - 3480=5, 1.8/3473=5...(32) HG3 PRO 81 - HB3 PRO 84 OK 34 60 - 56 - 2.3/3452=4, 2.3/3459=4...(28) HG3 GLU 49 - HB3 PRO 84 OK 30 78 - 39 - 1.8/2471=5, ~4972=5...(13) HB2 GLN 58 - HB3 PRO 84 OK 26 96 - 27 - 2.9/3551=3, ~2750=2...(13) HB3 GLU 22 - HB3 PRO 84 OK 16 99 - 16 - 1562=2, 3.0/1550=1...(5) HD2 LYS 78 - HB3 PRO 84 OK 12 63 - 20 - 1.8/3350=2, 3340=2...(5) HB VAL 47 - HB3 PRO 84 poor 9 87 - 10 - ~6192=1, 2.1/6169=1, 2.1/6168=1 HB VAL 20 - HB3 PRO 84 lone 7 97 - 7 - 4.0/56=1 HB2 LEU 76 - HB3 PRO 84 lone 5 100 - 5 - HB2 GLU 33 - HB3 PRO 84 lone 5 99 - 5 - HB2 GLU 77 - HB3 PRO 84 lone 4 97 - 4 - QE MET 48 - HB3 PRO 84 lone 4 87 - 5 - HB2 GLU 51 - HB3 PRO 84 lone 2 85 - 3 - Peak 3555 from cnoeabs.peaks (3.81, 1.85, 31.39 ppm; 4.58 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 84 + HB3 PRO 84 OK 100 100 - 100 - 3.0=100 HD3 PRO 19 + HB3 PRO 84 OK 68 73 - 93 - 3562/2.3=14, 3534/3.0=12...(47) HA ALA 67 - HB3 PRO 84 OK 28 92 - 30 - 3541/2.3=4, 3562/2.3=4...(12) HA2 GLY 29 - HB3 PRO 84 OK 13 92 - 13 - 3541/2.3=2, 3562/2.3=2...(7) Peak 3556 from cnoeabs.peaks (3.67, 1.85, 31.39 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 84 + HB3 PRO 84 OK 100 100 - 100 - 3.0=100 HA2 GLY 16 + HB3 PRO 84 OK 64 100 - 64 - 3563/2.3=13, 3542/2.3=12...(14) Peak 3557 from cnoeabs.peaks (4.37, 2.00, 27.14 ppm; 4.22 A): 2 out of 3 assignments used, quality = 1.00: * HA PRO 84 + HG2 PRO 84 OK 100 100 - 100 - 3.8=100 HA ILE 35 + HG2 PRO 84 OK 66 98 - 68 - 3550/2.3=15, 3543/2.3=11...(23) HA ARG 45 - HG2 PRO 84 OK 11 95 - 11 - 3550/2.3=2, 3529/2.3=2...(5) Peak 3558 from cnoeabs.peaks (2.25, 2.00, 27.14 ppm; 3.51 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 84 + HG2 PRO 84 OK 100 100 - 100 - 2.3=100 HG3 MET 11 - HG2 PRO 84 OK 45 100 - 45 - 3551/2.3=7, 3530/2.3=6...(15) HG3 GLN 58 - HG2 PRO 84 OK 35 83 - 43 - 3551/2.3=5, 3565/1.8=5...(16) HE2 LYS 68 - HG2 PRO 84 OK 16 60 - 27 - 3565/1.8=2, 3530/2.3=2...(16) Peak 3559 from cnoeabs.peaks (1.85, 2.00, 27.14 ppm; 2.98 A): 3 out of 9 assignments used, quality = 1.00: * HB3 PRO 84 + HG2 PRO 84 OK 100 100 - 100 - 2.3=100 HG3 PRO 19 + HG2 PRO 84 OK 64 95 - 68 - 2.3/3562=8, 1.8/3561=7...(38) HG2 PRO 81 + HG2 PRO 84 OK 59 99 - 59 - 2.3/3561=4, 1.8/3561=4...(39) HB2 GLU 49 - HG2 PRO 84 OK 43 98 - 44 - 2461=5, 2462/1.8=4...(23) HB ILE 35 - HG2 PRO 84 OK 40 85 - 47 - 3.0/3557=5, 2118/3.8=4...(28) HB3 LYS 78 - HG2 PRO 84 OK 26 90 - 29 - 3309=4, 2.8/3319=2...(11) HB2 GLU 22 - HG2 PRO 84 OK 14 96 - 14 - 1557/1.8=2, 1.8/3561=1 HB3 GLU 37 - HG2 PRO 84 lone 5 99 - 5 - HB VAL 66 - HG2 PRO 84 lone 5 96 - 5 - Peak 3560 from cnoeabs.peaks (2.00, 2.00, 27.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 84 + HG2 PRO 84 OK 100 100 - 100 Peak 3561 from cnoeabs.peaks (1.95, 2.00, 27.14 ppm; 2.40 A): 2 out of 15 assignments used, quality = 1.00: * HG3 PRO 84 + HG2 PRO 84 OK 100 100 - 100 - 1.8=100 HG2 PRO 19 + HG2 PRO 84 OK 46 97 - 48 - 2.3/3562=5, 1476/2.3=4...(26) HB3 PRO 81 - HG2 PRO 84 OK 32 81 - 40 - 2.3/3559=3, 3554/2.3=3...(18) HG3 PRO 81 - HG2 PRO 84 OK 25 60 - 42 - 1.8/3559=4, 3570/2.3=3...(20) HG3 GLU 49 - HG2 PRO 84 OK 19 78 - 25 - ~4972=3, 2477/2.3=2...(8) HB2 GLN 58 - HG2 PRO 84 OK 17 96 - 18 - 2.9/3558=2, 3554/2.3=1...(6) HB3 GLU 22 - HG2 PRO 84 lone 9 99 - 9 - 1562/2.3=1 HD2 LYS 78 - HG2 PRO 84 poor 8 63 - 12 - 3340/2.3=1, 2.9/3319=1...(4) HB VAL 20 - HG2 PRO 84 lone 5 97 - 5 - HB VAL 47 - HG2 PRO 84 lone 4 87 - 5 - HB2 GLU 33 - HG2 PRO 84 lone 3 99 - 3 - QE MET 48 - HG2 PRO 84 lone 3 87 - 3 - HB2 GLU 77 - HG2 PRO 84 lone 3 97 - 3 - HB2 LEU 76 - HG2 PRO 84 lone 2 100 - 2 - HB2 GLU 51 - HG2 PRO 84 lone 2 85 - 2 - Peak 3562 from cnoeabs.peaks (3.81, 2.00, 27.14 ppm; 3.26 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 84 + HG2 PRO 84 OK 100 100 - 100 - 2.3=100 HD3 PRO 19 + HG2 PRO 84 OK 53 73 - 73 - 3534/2.3=10, 3569/1.8=8...(41) HA ALA 67 - HG2 PRO 84 OK 14 92 - 15 - 3569/1.8=2, 3555/2.3=2...(7) HA2 GLY 29 - HG2 PRO 84 lone 7 92 - 7 - 3534/2.3=1, 3569/1.8=1 Peak 3563 from cnoeabs.peaks (3.67, 2.00, 27.14 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 84 + HG2 PRO 84 OK 100 100 - 100 - 2.3=100 HA2 GLY 16 - HG2 PRO 84 OK 43 100 - 43 - 3570/1.8=8, 3556/2.3=8...(12) Peak 3564 from cnoeabs.peaks (4.37, 1.95, 27.14 ppm; 4.26 A): 2 out of 6 assignments used, quality = 1.00: * HA PRO 84 + HG3 PRO 84 OK 100 100 - 100 - 3.8=100 HA ILE 35 + HG3 PRO 84 OK 63 98 - 64 - 3550/2.3=15, 3557/1.8=14...(18) HA PRO 84 - HG3 PRO 81 OK 37 60 - 61 - 3.6/3570=7, 3538/1.8=6...(22) HA ARG 45 - HG3 PRO 84 OK 12 95 - 12 - 3557/1.8=3, 3550/2.3=3...(5) HA ILE 35 - HG3 PRO 81 poor 6 56 - 11 - 2112/1.8=1 HA ARG 45 - HG3 PRO 81 lone 1 52 - 2 - Peak 3565 from cnoeabs.peaks (2.25, 1.95, 27.14 ppm; 3.44 A): 1 out of 8 assignments used, quality = 1.00: * HB2 PRO 84 + HG3 PRO 84 OK 100 100 - 100 - 2.3=100 HG3 MET 11 - HG3 PRO 84 OK 44 100 - 44 - 3558/1.8=8, 3551/2.3=7...(14) HB2 PRO 84 - HG3 PRO 81 OK 41 60 - 68 - 1149/2.3=6, 3.0/3570=6...(38) HG3 GLN 58 - HG3 PRO 84 OK 39 83 - 47 - 3558/1.8=6, 3551/2.3=5...(17) HG3 GLN 58 - HG3 PRO 81 OK 25 43 - 58 - ~2741=7, 2763/2.3=6...(33) HG3 MET 11 - HG3 PRO 81 OK 23 59 - 39 - 1149/2.3=5, ~3485=4...(17) HE2 LYS 68 - HG3 PRO 84 OK 16 60 - 27 - 3558/1.8=3, 3530/2.3=2...(14) HE2 LYS 68 - HG3 PRO 81 lone 1 29 - 5 - Peak 3566 from cnoeabs.peaks (1.85, 1.95, 27.14 ppm; 2.69 A): 4 out of 18 assignments used, quality = 1.00: * HB3 PRO 84 + HG3 PRO 84 OK 100 100 - 100 - 2.3=100 HG2 PRO 81 + HG3 PRO 81 OK 58 58 - 100 - 1.8=100 HG3 PRO 19 + HG3 PRO 84 OK 58 95 - 61 - 1482=6, 3559/1.8=5...(35) HG2 PRO 81 + HG3 PRO 84 OK 45 99 - 46 - 3559/1.8=5, 3486=3...(25) HB2 GLU 49 - HG3 PRO 84 OK 36 98 - 37 - 3559/1.8=3, 2462=3...(17) HB ILE 35 - HG3 PRO 84 OK 32 85 - 38 - 3.0/3564=3, 3559/1.8=3...(24) HB3 PRO 84 - HG3 PRO 81 OK 31 60 - 52 - 3554=4, 3452/2.3=4...(26) HB3 LYS 78 - HG3 PRO 84 OK 18 90 - 20 - 3309/1.8=2, 1.8/3567=1...(6) HG3 PRO 19 - HG3 PRO 81 OK 17 52 - 33 - 3452/2.3=3, 3459/2.3=3...(15) HB3 LYS 78 - HG3 PRO 81 OK 16 49 - 33 - 3313=3, 1.8/3303=3...(17) HB2 GLU 22 - HG3 PRO 84 OK 13 96 - 13 - 1557=2, 3559/1.8=1 HB2 GLU 49 - HG3 PRO 81 OK 11 56 - 20 - 2462=2, 1.8/2468=2...(9) HB2 GLU 22 - HG3 PRO 81 poor 8 53 - 16 - 1557=1, 3452/2.3=1, 3459/2.3=1 HB3 GLU 37 - HG3 PRO 84 lone 4 99 - 4 - HB VAL 66 - HG3 PRO 84 lone 4 96 - 4 - HB ILE 35 - HG3 PRO 81 lone 3 45 - 6 - HB3 GLU 37 - HG3 PRO 81 lone 2 58 - 3 - HB VAL 66 - HG3 PRO 81 lone 1 53 - 2 - Peak 3567 from cnoeabs.peaks (2.00, 1.95, 27.14 ppm; 2.40 A): 2 out of 24 assignments used, quality = 1.00: * HG2 PRO 84 + HG3 PRO 84 OK 100 100 - 100 - 1.8=100 HB3 PRO 19 + HG3 PRO 84 OK 48 96 - 50 - 3.0/3569=3, 3553/2.3=3...(29) HB2 PRO 19 - HG3 PRO 84 OK 45 90 - 50 - 3.0/3569=3, 2.3/1482=3...(30) HB3 PRO 81 - HG3 PRO 81 OK 34 34 - 100 - 2.3=100 HG2 PRO 84 - HG3 PRO 81 OK 26 60 - 43 - 3561=5, 3559/1.8=4...(20) HB3 GLU 49 - HG3 PRO 84 OK 24 78 - 30 - 2465/2.3=3, 1.8/3566=2...(12) HG2 GLU 49 - HG3 PRO 84 OK 24 83 - 29 - 4972/2.3=3, 2471/2.3=3...(10) HB3 PRO 81 - HG3 PRO 84 OK 22 68 - 33 - 2.3/3566=2, ~5919=2...(14) HB2 LYS 78 - HG3 PRO 84 OK 16 100 - 16 - 3300/2.3=2, 3303=1...(4) HB3 PRO 19 - HG3 PRO 81 OK 15 53 - 28 - 1469/1.8=1, 3.5/568=1...(11) HB2 LYS 78 - HG3 PRO 81 OK 15 60 - 25 - 3300/1.8=4, 3303=3...(10) HB2 PRO 19 - HG3 PRO 81 OK 14 49 - 28 - 1469/1.8=1, 3.5/568=1...(11) HE3 LYS 68 - HG3 PRO 84 OK 12 98 - 13 - 3111/2.3=1 HB2 LEU 34 - HG3 PRO 84 lone 8 100 - 7 - HB3 GLU 49 - HG3 PRO 81 poor 5 40 - 13 - 1.8/2462=1, 2465/1.8=1...(4) HG2 GLU 49 - HG3 PRO 81 poor 5 43 - 11 - 2474=1, 2471/1.8=1, 3.0/2462=1 HB2 LEU 23 - HG3 PRO 84 lone 2 83 - 2 - HB2 GLU 25 - HG3 PRO 84 lone 2 100 - 2 - HB2 LEU 23 - HG3 PRO 81 lone 2 43 - 4 - ~4153=1, 4151/2.3=1 HB2 GLU 51 - HG3 PRO 84 lone 1 63 - 2 - HB2 LEU 34 - HG3 PRO 81 lone 1 60 - 2 - HE3 LYS 68 - HG3 PRO 81 lone 1 56 - 2 - HB2 GLU 25 - HG3 PRO 81 lone 1 60 - 1 - HB2 GLU 51 - HG3 PRO 81 lone 0 31 - 1 - Peak 3568 from cnoeabs.peaks (1.95, 1.95, 27.14 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 84 + HG3 PRO 84 OK 100 100 - 100 HG3 PRO 81 - HG3 PRO 81 OK 29 29 - 100 Peak 3569 from cnoeabs.peaks (3.81, 1.95, 27.14 ppm; 3.31 A): 2 out of 8 assignments used, quality = 1.00: * HD2 PRO 84 + HG3 PRO 84 OK 100 100 - 100 - 2.3=100 HD3 PRO 19 + HG3 PRO 84 OK 56 73 - 77 - 3562/1.8=11, 3534/2.3=11...(42) HD2 PRO 84 - HG3 PRO 81 OK 36 60 - 61 - 1.8/3570=7, 2.3/3561=4...(39) HA ALA 67 - HG3 PRO 84 OK 17 92 - 18 - 3562/1.8=3, 3555/2.3=2...(7) HD3 PRO 19 - HG3 PRO 81 OK 15 37 - 41 - ~5916=4, ~1476=3...(28) HA2 GLY 29 - HG3 PRO 84 lone 7 92 - 8 - 3562/1.8=1, 3534/2.3=1 HA2 GLY 29 - HG3 PRO 81 lone 3 50 - 7 - 4578/3.8=3, 5919/2.3=2, ~120=1 HA ALA 67 - HG3 PRO 81 lone 2 50 - 3 - Peak 3570 from cnoeabs.peaks (3.67, 1.95, 27.14 ppm; 3.43 A): 1 out of 4 assignments used, quality = 1.00: * HD3 PRO 84 + HG3 PRO 84 OK 100 100 - 100 - 2.3=100 HA2 GLY 16 - HG3 PRO 84 OK 45 100 - 45 - 3563/1.8=11, 3556/2.3=9...(12) HD3 PRO 84 - HG3 PRO 81 OK 39 60 - 66 - 1.8/3569=6, ~5919=5...(42) HA2 GLY 16 - HG3 PRO 81 lone 2 59 - 4 - Peak 3571 from cnoeabs.peaks (8.31, 4.26, 54.82 ppm; 3.15 A): 1 out of 18 assignments used, quality = 1.00: * H LEU 85 + HA LEU 85 OK 100 100 - 100 - 2.9=100 H LEU 85 - HA LEU 87 OK 38 82 - 47 - 912=9, 3585/3.0=6...(18) H GLY 16 - HA LEU 85 poor 9 87 - 11 - ~403=3, ~1323=1, 3585/3.0=1 H ALA 60 - HA LEU 85 lone 8 100 - 8 - 3578/3.0=1, 404/3.6=1...(4) H GLU 37 - HA LEU 85 lone 5 97 - 5 - 404/3.6=1 H LYS 64 - HA LEU 85 lone 5 89 - 5 - 404/3.6=2 H LEU 85 - HA ASP 53 lone 4 77 - 6 - 912=1 H ALA 60 - HA LEU 87 lone 3 82 - 4 - H GLY 16 - HA LEU 87 lone 2 65 - 3 - H TYR 70 - HA LEU 85 lone 2 65 - 3 - H GLU 37 - HA LEU 87 lone 2 76 - 2 - H LYS 64 - HA LEU 87 lone 2 67 - 2 - H TYR 70 - HA LEU 87 lone 1 47 - 2 - H LYS 64 - HA ASP 53 lone 1 62 - 1 - H GLU 37 - HA ASP 53 lone 0 72 - 1 - H ALA 60 - HA ASP 53 lone 0 77 - 1 - H TYR 70 - HA ASP 53 lone 0 43 - 1 - H GLY 16 - HA ASP 53 lone 0 61 - 1 - Peak 3572 from cnoeabs.peaks (4.26, 4.26, 54.82 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LEU 85 + HA LEU 85 OK 100 100 - 100 HA LEU 87 + HA LEU 87 OK 68 68 - 100 HA ASP 53 + HA ASP 53 OK 53 53 - 100 Peak 3573 from cnoeabs.peaks (1.51, 4.26, 54.82 ppm; 2.94 A): 4 out of 48 assignments used, quality = 1.00: * HB2 LEU 85 + HA LEU 85 OK 96 100 - 96 - 3.0=93, 913/2.9=8...(13) HB3 LEU 87 + HA LEU 87 OK 61 63 - 97 - 3.0=94, 924/2.9=6...(12) HB3 LEU 87 + HA LEU 85 OK 48 85 - 57 - 3579=5, 1.8/3586=5...(27) HB2 LEU 85 + HA LEU 87 OK 45 82 - 56 - 3579=5, 4.3/405=5...(25) HG LEU 30 - HA LEU 87 OK 15 47 - 33 - 2.1/1912=3, 2.1/6033=3...(17) HB3 LYS 26 - HA LEU 85 lone 9 100 - 9 - 1695/4.0=1, 1694/4.0=1 HG LEU 30 - HA ASP 53 poor 9 43 - 22 - ~5133=4, 2.1/1912=3...(9) HG LEU 30 - HA LEU 85 poor 8 65 - 12 - 2.1/6033=2 HB3 LYS 26 - HA LEU 87 lone 8 80 - 9 - 1695/4.1=1, 1694/4.1=1 HG3 ARG 27 - HA ASP 53 lone 8 76 - 10 - 4536/2.9=3, ~4534=2...(5) HB2 LYS 56 - HA LEU 87 lone 7 74 - 10 - 2619/2.9=2 HB3 LEU 87 - HA ASP 53 lone 6 59 - 10 - QB ALA 71 - HA ASP 53 lone 5 75 - 7 - 5624/2.9=3, 5652/3.0=1, ~5656=1 HD2 LYS 56 - HA LEU 87 lone 5 63 - 7 - 924/2.9=1 HB2 LEU 85 - HA ASP 53 lone 5 77 - 6 - HB2 LYS 56 - HA ASP 53 lone 4 70 - 6 - 3992/3.6=1, 5120/4.8=1 HB2 LYS 56 - HA LEU 85 lone 4 96 - 5 - HD3 LYS 64 - HA LEU 85 lone 4 97 - 4 - QB ALA 72 - HA LEU 85 lone 3 83 - 4 - QB ALA 71 - HA LEU 85 lone 3 99 - 3 - HG2 GLU 37 - HA LEU 85 lone 3 97 - 3 - HG3 ARG 27 - HA LEU 87 lone 3 80 - 4 - HG3 ARG 27 - HA LEU 85 lone 3 100 - 3 - HG LEU 34 - HA LEU 85 lone 3 100 - 3 - HD2 LYS 56 - HA LEU 85 lone 3 85 - 3 - HD2 LYS 56 - HA ASP 53 lone 3 59 - 5 - QB ALA 71 - HA LEU 87 lone 3 79 - 3 - HB3 LYS 26 - HA ASP 53 lone 3 76 - 3 - HG LEU 34 - HA ASP 53 lone 2 77 - 3 - 2089/3.6=1 HD2 LYS 17 - HA LEU 85 lone 2 100 - 2 - HD3 LYS 17 - HA LEU 85 lone 2 100 - 2 - QB ALA 72 - HA LEU 87 lone 2 61 - 3 - HB2 ARG 45 - HA LEU 85 lone 2 100 - 2 - HD3 LYS 64 - HA LEU 87 lone 1 75 - 2 - HG LEU 34 - HA LEU 87 lone 1 82 - 2 - HD2 LYS 17 - HA LEU 87 lone 1 81 - 2 - HD3 LYS 17 - HA LEU 87 lone 1 81 - 2 - HD2 LYS 17 - HA ASP 53 lone 1 76 - 1 - HD3 LYS 17 - HA ASP 53 lone 1 76 - 1 - QB ALA 72 - HA ASP 53 lone 1 57 - 2 - HB2 ARG 45 - HA LEU 87 lone 1 81 - 1 - HB3 LYS 44 - HA LEU 87 lone 1 44 - 2 - HG2 GLU 37 - HA LEU 87 lone 1 75 - 1 - HG2 GLU 37 - HA ASP 53 lone 1 71 - 1 - HD3 LYS 64 - HA ASP 53 lone 1 71 - 1 - HB3 LYS 44 - HA LEU 85 lone 1 63 - 1 - HB2 ARG 45 - HA ASP 53 lone 0 76 - 1 - HB3 LYS 44 - HA ASP 53 lone 0 41 - 1 - Peak 3574 from cnoeabs.peaks (1.59, 4.26, 54.82 ppm; 2.98 A): 5 out of 36 assignments used, quality = 1.00: * HB3 LEU 85 + HA LEU 85 OK 99 100 - 99 - 3.0=97, 1.8/3573=8...(13) HB2 LEU 87 + HA LEU 87 OK 78 78 - 99 - 3.0=98, 923/2.9=7...(13) HG LEU 85 + HA LEU 85 OK 67 93 - 72 - 3.7=54, 2.1/3607=8...(18) HB2 LEU 87 + HA LEU 85 OK 57 99 - 58 - 3586=6, 3585/2.9=5...(27) HB3 LEU 85 + HA LEU 87 OK 46 82 - 56 - 3586=6, 923/2.9=5...(26) HG LEU 87 - HA LEU 87 OK 44 63 - 70 - 3.7=54, 2.1/3607=6...(17) HG LEU 87 - HA LEU 85 OK 44 85 - 53 - 2.1/3607=6, 915/2.9=4...(31) HG LEU 85 - HA LEU 87 OK 35 71 - 50 - 2.1/3607=5, 923/2.9=4...(28) HB2 LEU 87 - HA ASP 53 poor 7 74 - 10 - 3627=1 HG LEU 23 - HA LEU 85 lone 7 83 - 9 - HG LEU 73 - HA LEU 85 lone 6 63 - 9 - 2.1/3577=1 HG LEU 23 - HA LEU 87 lone 5 61 - 8 - HB3 LEU 85 - HA ASP 53 lone 5 77 - 6 - HG LEU 73 - HA LEU 87 poor 5 44 - 10 - 2.1/3577=1 HB2 LYS 68 - HA LEU 85 lone 3 96 - 3 - HG LEU 87 - HA ASP 53 lone 3 59 - 6 - ~5133=1 HD3 LYS 65 - HA LEU 85 lone 3 97 - 3 - HD2 LYS 65 - HA LEU 85 lone 3 95 - 3 - HG LEU 85 - HA ASP 53 lone 3 67 - 4 - HB2 LYS 68 - HA LEU 87 lone 2 74 - 3 - HD3 LYS 65 - HA LEU 87 lone 2 76 - 3 - HD2 LYS 65 - HA LEU 87 lone 2 73 - 3 - HB2 LEU 12 - HA LEU 85 lone 2 99 - 2 - HB2 LEU 12 - HA LEU 87 lone 2 78 - 2 - HG LEU 23 - HA ASP 53 lone 2 57 - 3 - HD3 LYS 65 - HA ASP 53 lone 1 72 - 2 - HD2 LYS 65 - HA ASP 53 lone 1 68 - 2 - HD2 LYS 14 - HA LEU 85 lone 1 99 - 1 - HD3 LYS 14 - HA LEU 85 lone 1 99 - 1 - HG LEU 73 - HA ASP 53 lone 1 41 - 2 - HD2 LYS 14 - HA LEU 87 lone 1 79 - 1 - HD3 LYS 14 - HA LEU 87 lone 1 78 - 1 - HD2 LYS 14 - HA ASP 53 lone 1 75 - 1 - HB2 LEU 12 - HA ASP 53 lone 1 74 - 1 - HD3 LYS 14 - HA ASP 53 lone 1 74 - 1 - HB2 LYS 68 - HA ASP 53 lone 1 70 - 1 - Peak 3575 from cnoeabs.peaks (1.60, 4.26, 54.82 ppm; 2.98 A): 6 out of 36 assignments used, quality = 1.00: HB3 LEU 85 + HA LEU 85 OK 92 93 - 99 - 3.0=97, 1.8/3573=8...(13) HB2 LEU 87 + HA LEU 87 OK 79 80 - 99 - 3.0=98, 925/2.9=7...(13) * HG LEU 85 + HA LEU 85 OK 72 100 - 72 - 3.7=54, 2.1/3607=8...(18) HG LEU 87 + HA LEU 87 OK 57 80 - 71 - 3.7=54, 2.1/3607=6...(17) HB2 LEU 87 + HA LEU 85 OK 57 99 - 57 - 3586=6, 3585/2.9=5...(27) HG LEU 87 + HA LEU 85 OK 52 100 - 53 - 2.1/3607=6, 915/2.9=4...(32) HG LEU 85 - HA LEU 87 OK 41 82 - 50 - 2.1/3607=5, 925/2.9=4...(30) HB3 LEU 85 - HA LEU 87 OK 40 71 - 56 - 3586=5, 923/2.9=5...(26) HG LEU 23 - HA LEU 85 lone 9 99 - 9 - HG LEU 73 - HA LEU 85 lone 9 93 - 10 - 2.1/3577=1 HG LEU 73 - HA LEU 87 poor 8 71 - 11 - 2.1/3577=1 HB2 LEU 87 - HA ASP 53 poor 8 75 - 10 - 3627=1 HG LEU 23 - HA LEU 87 lone 7 80 - 9 - HG LEU 87 - HA ASP 53 lone 4 76 - 6 - ~5133=1 HB3 LEU 85 - HA ASP 53 lone 4 67 - 6 - HB2 LYS 68 - HA LEU 85 lone 4 100 - 4 - HG LEU 85 - HA ASP 53 lone 3 77 - 4 - HB2 LYS 68 - HA LEU 87 lone 3 82 - 3 - HD3 LYS 65 - HA LEU 85 lone 2 73 - 3 - HG LEU 23 - HA ASP 53 lone 2 75 - 3 - HB2 LEU 12 - HA LEU 85 lone 2 99 - 2 - HD2 LYS 65 - HA LEU 85 lone 2 65 - 3 - HB2 LEU 12 - HA LEU 87 lone 2 80 - 2 - HG LEU 73 - HA ASP 53 lone 2 67 - 3 - HD3 LYS 65 - HA LEU 87 lone 2 53 - 3 - HD2 LYS 65 - HA LEU 87 lone 1 47 - 3 - HD2 LYS 14 - HA LEU 85 lone 1 81 - 1 - HD3 LYS 65 - HA ASP 53 lone 1 49 - 2 - HD3 LYS 14 - HA LEU 85 lone 1 78 - 1 - HD2 LYS 65 - HA ASP 53 lone 1 43 - 2 - HB2 LEU 12 - HA ASP 53 lone 1 75 - 1 - HD2 LYS 14 - HA LEU 87 lone 1 59 - 1 - HB2 LYS 68 - HA ASP 53 lone 1 77 - 1 - HD3 LYS 14 - HA LEU 87 lone 1 57 - 1 - HD2 LYS 14 - HA ASP 53 lone 1 55 - 1 - HD3 LYS 14 - HA ASP 53 lone 1 53 - 1 - Peak 3576 from cnoeabs.peaks (0.89, 4.26, 54.82 ppm; 3.20 A): 4 out of 24 assignments used, quality = 0.97: * QD1 LEU 85 + HA LEU 85 OK 76 100 - 76 - 4.0=53, 2.1/3607=9...(23) QD1 LEU 87 + HA LEU 87 OK 58 81 - 71 - 4.1=48, 2.1/3655=7...(22) QD1 LEU 87 + HA LEU 85 OK 56 100 - 57 - 2.1/3607=7, 3600=5...(29) QD1 LEU 85 + HA LEU 87 OK 43 82 - 53 - 2.1/3607=6, 3600=4...(28) HB3 LEU 30 - HA LEU 87 OK 32 78 - 41 - 3.1/6033=3, 1894/3.0=3...(19) QD2 LEU 30 - HA LEU 87 OK 22 59 - 38 - 1912=4, 2.1/6033=4...(15) HB3 LEU 30 - HA ASP 53 OK 22 74 - 29 - ~5133=3, 3.1/1912=3...(18) QD2 LEU 30 - HA ASP 53 OK 14 55 - 26 - 1912=4, 5133/2.9=4...(10) HB3 LEU 30 - HA LEU 85 OK 14 99 - 14 - 3.1/6033=2, 1894/3.0=1 HD3 LYS 26 - HA LEU 85 OK 14 99 - 14 - 1734/4.0=2, 1731/3.0=1...(4) HD3 LYS 26 - HA LEU 87 OK 11 78 - 15 - 1734/4.1=2, 1731/3.0=1 QD2 LEU 30 - HA LEU 85 OK 11 81 - 13 - 2.1/6033=2 QD2 LEU 23 - HA LEU 85 poor 9 76 - 12 - 1610/3.0=1, 1610/3.7=1 QD2 LEU 23 - HA LEU 87 poor 7 55 - 13 - 1610/3.0=2, 1610/3.7=1 QD1 LEU 87 - HA ASP 53 lone 6 77 - 7 - ~5133=1 QD1 LEU 76 - HA LEU 85 lone 6 98 - 6 - 4080/3.6=2 QD1 LEU 76 - HA LEU 87 lone 5 77 - 7 - 4080/3.6=2 QD1 LEU 85 - HA ASP 53 lone 4 77 - 5 - HD3 LYS 26 - HA ASP 53 lone 3 74 - 4 - ~5133=1 QB ALA 75 - HA ASP 53 lone 3 55 - 6 - 5133/2.9=1, 5759/3.0=1 QB ALA 75 - HA LEU 87 lone 3 59 - 5 - ~5746=1 QB ALA 75 - HA LEU 85 lone 3 81 - 3 - QD1 LEU 76 - HA ASP 53 lone 2 73 - 2 - QD2 LEU 23 - HA ASP 53 lone 2 51 - 3 - Peak 3577 from cnoeabs.peaks (0.84, 4.26, 54.82 ppm; 2.91 A): 4 out of 21 assignments used, quality = 0.94: * QD2 LEU 85 + HA LEU 85 OK 64 100 - 64 - 4.0=40, 3.1/3573=5...(20) QD2 LEU 87 + HA LEU 85 OK 50 99 - 51 - 3607=9, 3606/2.9=4...(24) QD2 LEU 87 + HA LEU 87 OK 46 79 - 58 - 4.1=36, 2.1/3600=4...(18) QD2 LEU 85 + HA LEU 87 OK 38 82 - 47 - 3607=8, 3.1/3579=3...(22) HD2 LYS 26 - HA LEU 85 OK 11 95 - 11 - 1725/4.0=1, 3584/3.0=1 QD2 LEU 73 - HA LEU 85 OK 10 100 - 10 - 3200/3.7=1, 917/2.9=1...(5) QD2 LEU 73 - HA LEU 87 poor 10 81 - 12 - 3200/3.0=2, 3200/3.7=2 HD2 LYS 26 - HA LEU 87 poor 8 73 - 11 - 1725/4.1=1, 3639/3.0=1 QD2 LEU 87 - HA ASP 53 lone 5 75 - 7 - 5133/2.9=2, 3655=1 QG2 ILE 35 - HA LEU 85 lone 4 95 - 5 - 917/2.9=1 QG2 VAL 47 - HA LEU 85 lone 3 100 - 3 - QD2 LEU 85 - HA ASP 53 lone 3 77 - 4 - 5133/2.9=1 QG1 VAL 47 - HA LEU 85 lone 3 92 - 3 - HD2 LYS 26 - HA ASP 53 lone 3 68 - 4 - 5133/2.9=1 QG2 ILE 35 - HA LEU 87 lone 2 73 - 3 - QD2 LEU 73 - HA ASP 53 lone 2 77 - 3 - QG2 VAL 47 - HA LEU 87 lone 2 81 - 2 - QG1 VAL 47 - HA LEU 87 lone 1 70 - 2 - QG2 VAL 47 - HA ASP 53 lone 1 76 - 1 - QG1 VAL 47 - HA ASP 53 lone 0 66 - 1 - QG2 ILE 35 - HA ASP 53 lone 0 68 - 0 - Peak 3578 from cnoeabs.peaks (8.31, 1.51, 42.21 ppm; 3.73 A): 2 out of 12 assignments used, quality = 0.97: * H LEU 85 + HB2 LEU 85 OK 93 100 - 93 - 4.0=81, 404/4.3=21...(18) H LEU 85 + HB3 LEU 87 OK 54 84 - 65 - 913=12, 3585/1.8=10...(29) H ALA 60 - HB2 LEU 85 OK 15 100 - 15 - 3606/3.1=2, 3585/1.8=2...(7) H GLY 16 - HB2 LEU 85 OK 10 87 - 12 - 3585/1.8=2, 3571/3.0=2...(7) H GLU 37 - HB2 LEU 85 lone 10 97 - 10 - 3585/1.8=1, 404/4.3=1 H LYS 64 - HB2 LEU 85 lone 8 89 - 8 - 404/4.3=2, 3585/1.8=1 H ALA 60 - HB3 LEU 87 lone 7 84 - 9 - 3606/3.1=1, 3585/1.8=1, 5356=1 H TYR 70 - HB2 LEU 85 lone 5 65 - 8 - H GLY 16 - HB3 LEU 87 lone 4 67 - 6 - H LYS 64 - HB3 LEU 87 lone 3 69 - 5 - H TYR 70 - HB3 LEU 87 lone 3 48 - 7 - H GLU 37 - HB3 LEU 87 lone 3 79 - 4 - Peak 3579 from cnoeabs.peaks (4.26, 1.51, 42.21 ppm; 3.41 A): 4 out of 14 assignments used, quality = 1.00: * HA LEU 85 + HB2 LEU 85 OK 100 100 - 100 - 3.0=100 HA LEU 87 + HB3 LEU 87 OK 70 70 - 100 - 3.0=100 HA LEU 87 + HB2 LEU 85 OK 62 90 - 69 - 405/4.3=7, 3573=6...(40) HA LEU 85 + HB3 LEU 87 OK 58 84 - 70 - 3586/1.8=6, 2.9/913=6...(39) HA LYS 78 - HB3 LEU 87 OK 16 83 - 19 - 4087/3.9=4, 6131/3.0=2...(10) HA LYS 78 - HB2 LEU 85 OK 15 100 - 15 - 5813/1.8=3, 912/4.0=2, 405/4.3=2 HA ALA 89 - HB3 LEU 87 poor 10 81 - 12 - ~6026=2, 415/4.2=1...(4) HA VAL 52 - HB3 LEU 87 poor 10 76 - 12 - 6130/3.0=3, 412/3.9=1 HA ALA 89 - HB2 LEU 85 lone 9 99 - 9 - ~6026=3, 405/4.3=2 HA VAL 52 - HB2 LEU 85 lone 8 96 - 8 - HA ASP 53 - HB3 LEU 87 poor 8 59 - 13 - 922/3.9=1, ~5133=1 HA ASP 53 - HB2 LEU 85 lone 7 78 - 8 - HA3 GLY 39 - HB2 LEU 85 lone 2 96 - 2 - HA3 GLY 39 - HB3 LEU 87 lone 1 76 - 2 - Peak 3580 from cnoeabs.peaks (1.51, 1.51, 42.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 85 + HB2 LEU 85 OK 100 100 - 100 HB3 LEU 87 + HB3 LEU 87 OK 65 65 - 100 Peak 3581 from cnoeabs.peaks (1.59, 1.51, 42.21 ppm; 2.40 A): 3 out of 24 assignments used, quality = 1.00: * HB3 LEU 85 + HB2 LEU 85 OK 100 100 - 100 - 1.8=100 HB2 LEU 87 + HB3 LEU 87 OK 81 81 - 100 - 1.8=100 HG LEU 85 + HB2 LEU 85 OK 60 93 - 64 - 3.0=53, 3.7/3573=3...(13) HB2 LEU 87 - HB2 LEU 85 OK 41 99 - 42 - 3587=6, 3585/4.0=2...(13) HG LEU 87 - HB3 LEU 87 OK 41 65 - 63 - 3.0=52, 923/3.9=2...(12) HB3 LEU 85 - HB3 LEU 87 OK 35 84 - 42 - 3587=5, 3626/3.9=2...(13) HG LEU 87 - HB2 LEU 85 OK 32 85 - 38 - 3594=3, 3.0/3587=2...(12) HG LEU 85 - HB3 LEU 87 OK 27 73 - 37 - 3643=3, 3.0/3629=2...(11) HG LEU 23 - HB2 LEU 85 lone 7 83 - 9 - HG LEU 73 - HB2 LEU 85 lone 6 63 - 9 - HG LEU 23 - HB3 LEU 87 lone 5 63 - 8 - HG LEU 73 - HB3 LEU 87 poor 5 46 - 11 - 3643=1 HB2 LYS 68 - HB2 LEU 85 lone 3 96 - 3 - HD3 LYS 65 - HB2 LEU 85 lone 2 97 - 2 - HD2 LYS 65 - HB2 LEU 85 lone 2 95 - 2 - HB2 LYS 68 - HB3 LEU 87 lone 2 76 - 3 - HD3 LYS 65 - HB3 LEU 87 lone 1 79 - 2 - HB2 LEU 12 - HB2 LEU 85 lone 1 99 - 1 - HD2 LYS 65 - HB3 LEU 87 lone 1 75 - 2 - HB2 LEU 12 - HB3 LEU 87 lone 1 81 - 1 - HD2 LYS 14 - HB2 LEU 85 lone 1 99 - 1 - HD3 LYS 14 - HB2 LEU 85 lone 1 99 - 1 - HD2 LYS 14 - HB3 LEU 87 lone 1 81 - 1 - HD3 LYS 14 - HB3 LEU 87 lone 1 81 - 1 - Peak 3582 from cnoeabs.peaks (1.60, 1.51, 42.21 ppm; 2.40 A): 4 out of 24 assignments used, quality = 1.00: HB3 LEU 85 + HB2 LEU 85 OK 93 93 - 100 - 1.8=100 HB2 LEU 87 + HB3 LEU 87 OK 82 82 - 100 - 1.8=100 * HG LEU 85 + HB2 LEU 85 OK 64 100 - 64 - 3.0=53, 3.7/3573=3...(13) HG LEU 87 + HB3 LEU 87 OK 52 83 - 63 - 3.0=52, 925/3.9=2...(12) HB2 LEU 87 - HB2 LEU 85 OK 41 99 - 42 - 3587=5, 3585/4.0=2...(13) HG LEU 87 - HB2 LEU 85 OK 38 100 - 38 - 3594=4, 3.0/3587=2...(12) HG LEU 85 - HB3 LEU 87 OK 31 84 - 37 - 3643=4, 3.0/3629=2...(11) HB3 LEU 85 - HB3 LEU 87 OK 31 73 - 42 - 3629=5, 3626/3.9=2...(13) HG LEU 73 - HB2 LEU 85 lone 9 93 - 10 - HG LEU 23 - HB2 LEU 85 lone 9 99 - 9 - HG LEU 73 - HB3 LEU 87 poor 8 73 - 11 - 3643=1 HG LEU 23 - HB3 LEU 87 lone 7 82 - 9 - HB2 LYS 68 - HB2 LEU 85 lone 3 100 - 3 - HB2 LYS 68 - HB3 LEU 87 lone 2 84 - 3 - HD3 LYS 65 - HB2 LEU 85 lone 2 73 - 2 - HB2 LEU 12 - HB2 LEU 85 lone 1 99 - 1 - HD2 LYS 65 - HB2 LEU 85 lone 1 65 - 2 - HB2 LEU 12 - HB3 LEU 87 lone 1 82 - 1 - HD3 LYS 65 - HB3 LEU 87 lone 1 55 - 2 - HD2 LYS 65 - HB3 LEU 87 lone 1 48 - 2 - HD2 LYS 14 - HB2 LEU 85 lone 1 81 - 1 - HD3 LYS 14 - HB2 LEU 85 lone 1 78 - 1 - HD2 LYS 14 - HB3 LEU 87 lone 0 61 - 1 - HD3 LYS 14 - HB3 LEU 87 lone 0 59 - 1 - Peak 3583 from cnoeabs.peaks (0.89, 1.51, 42.21 ppm; 3.37 A): 4 out of 16 assignments used, quality = 1.00: * QD1 LEU 85 + HB2 LEU 85 OK 100 100 - 100 - 3.1=100 QD1 LEU 87 + HB3 LEU 87 OK 83 83 - 100 - 3.1=100 QD1 LEU 87 + HB2 LEU 85 OK 67 100 - 68 - 3601=6, 2.1/3584=5...(44) QD1 LEU 85 + HB3 LEU 87 OK 55 84 - 66 - 3650=5, 3590/1.8=4...(40) HB3 LEU 30 - HB3 LEU 87 OK 44 81 - 55 - 1891/3.0=5, 1.8/1887=4...(26) QD2 LEU 30 - HB3 LEU 87 OK 33 61 - 55 - 1912/3.0=6, 1915=5...(29) HD3 LYS 26 - HB2 LEU 85 OK 29 99 - 29 - 1734/3.1=3, 1.8/3584=2...(11) HB3 LEU 30 - HB2 LEU 85 OK 24 99 - 24 - 3590/1.8=1, 1894=1...(4) HD3 LYS 26 - HB3 LEU 87 OK 24 81 - 30 - 1734/3.1=3, 1.8/1721=2...(10) QD2 LEU 23 - HB2 LEU 85 OK 19 76 - 24 - 4478=2, 1610/1.8=2...(4) QD2 LEU 30 - HB2 LEU 85 OK 18 81 - 23 - ~6079=1, ~6033=1, 1915=1...(5) QD2 LEU 23 - HB3 LEU 87 OK 13 57 - 23 - 1610/1.8=2, 1610/3.0=2...(4) QD1 LEU 76 - HB2 LEU 85 OK 10 98 - 10 - 4080/4.3=2 QD1 LEU 76 - HB3 LEU 87 poor 9 80 - 11 - 4080/4.2=2, 2.1/6185=1 QB ALA 75 - HB2 LEU 85 lone 5 81 - 6 - QB ALA 75 - HB3 LEU 87 lone 3 61 - 6 - Peak 3584 from cnoeabs.peaks (0.84, 1.51, 42.21 ppm; 3.61 A): 4 out of 14 assignments used, quality = 1.00: * QD2 LEU 85 + HB2 LEU 85 OK 100 100 - 100 - 3.1=100 QD2 LEU 87 + HB3 LEU 87 OK 81 81 - 100 - 3.1=100 QD2 LEU 87 + HB2 LEU 85 OK 72 99 - 73 - 3607/3.0=6, 3608=6...(52) QD2 LEU 85 + HB3 LEU 87 OK 60 84 - 72 - 3607/3.0=6, 3608=5...(54) HD2 LYS 26 - HB2 LEU 85 OK 31 95 - 33 - 1725/3.1=3, 1721=3...(13) QD2 LEU 73 - HB2 LEU 85 OK 29 100 - 29 - 3200/3.0=3, 3591/1.8=2...(9) QD2 LEU 73 - HB3 LEU 87 OK 26 83 - 31 - 3200/1.8=4, 3200/3.0=3...(12) HD2 LYS 26 - HB3 LEU 87 OK 25 75 - 33 - 1725/3.1=3, 1721=3...(13) QG2 ILE 35 - HB2 LEU 85 lone 9 95 - 9 - 917/4.0=2 QG2 VAL 47 - HB2 LEU 85 lone 8 100 - 8 - QG1 VAL 47 - HB2 LEU 85 lone 7 92 - 8 - QG2 VAL 47 - HB3 LEU 87 lone 4 83 - 5 - QG2 ILE 35 - HB3 LEU 87 lone 4 75 - 5 - QG1 VAL 47 - HB3 LEU 87 lone 3 72 - 5 - Peak 3585 from cnoeabs.peaks (8.31, 1.59, 42.21 ppm; 3.80 A): 2 out of 12 assignments used, quality = 0.98: * H LEU 85 + HB3 LEU 85 OK 95 100 - 95 - 4.0=86, 404/4.3=22...(22) H LEU 85 + HB2 LEU 87 OK 64 98 - 66 - 914=10, 913/1.8=10...(29) H ALA 60 - HB3 LEU 85 OK 12 100 - 12 - 3578/1.8=3, 3606/3.1=2...(6) H GLY 16 - HB3 LEU 85 OK 12 87 - 14 - 3.0/4303=2, 3578/1.8=2...(7) H GLU 37 - HB3 LEU 85 lone 8 97 - 8 - 3578/1.8=2, 404/4.3=1 H ALA 60 - HB2 LEU 87 lone 7 98 - 7 - 3578/1.8=1, 3606/3.1=1 H LYS 64 - HB3 LEU 85 lone 7 89 - 7 - 404/4.3=2, 3578/1.8=1 H GLY 16 - HB2 LEU 87 lone 6 83 - 7 - H TYR 70 - HB3 LEU 85 lone 4 65 - 7 - H TYR 70 - HB2 LEU 87 lone 4 61 - 6 - H LYS 64 - HB2 LEU 87 lone 3 84 - 4 - H GLU 37 - HB2 LEU 87 lone 3 94 - 3 - Peak 3586 from cnoeabs.peaks (4.26, 1.59, 42.21 ppm; 3.27 A): 4 out of 14 assignments used, quality = 1.00: * HA LEU 85 + HB3 LEU 85 OK 100 100 - 100 - 3.0=100 HA LEU 87 + HB2 LEU 87 OK 86 86 - 100 - 3.0=100 HA LEU 85 + HB2 LEU 87 OK 64 98 - 65 - 2.9/3585=6, 3574=5...(33) HA LEU 87 + HB3 LEU 85 OK 58 90 - 64 - 405/4.3=6, 2.9/923=6...(34) HA LYS 78 - HB2 LEU 87 OK 17 98 - 18 - 4087/3.9=3, 6131/3.0=2...(10) HA LYS 78 - HB3 LEU 85 OK 14 100 - 14 - 5813=2, 912/4.0=1...(5) HA ALA 89 - HB2 LEU 87 OK 11 96 - 11 - 3.0/6026=3, 415/4.2=1, ~933=1 HA ALA 89 - HB3 LEU 85 lone 10 99 - 10 - 3.0/6026=3, 405/4.3=1 HA VAL 52 - HB2 LEU 87 lone 9 92 - 10 - 6130/3.0=3, 412/3.9=1 HA ASP 53 - HB2 LEU 87 poor 9 74 - 12 - HA ASP 53 - HB3 LEU 85 lone 6 78 - 7 - HA VAL 52 - HB3 LEU 85 lone 6 96 - 6 - HA3 GLY 39 - HB3 LEU 85 lone 2 96 - 2 - HA3 GLY 39 - HB2 LEU 87 lone 2 92 - 2 - Peak 3587 from cnoeabs.peaks (1.51, 1.59, 42.21 ppm; 2.40 A): 2 out of 32 assignments used, quality = 1.00: * HB2 LEU 85 + HB3 LEU 85 OK 100 100 - 100 - 1.8=100 HB3 LEU 87 + HB2 LEU 87 OK 81 81 - 100 - 1.8=100 HB2 LEU 85 - HB2 LEU 87 OK 41 98 - 42 - 3581=4, 4.0/3585=2...(14) HB3 LEU 87 - HB3 LEU 85 OK 35 85 - 42 - 3581=4, 3.9/3626=2...(13) HG LEU 30 - HB2 LEU 87 OK 16 61 - 27 - 2.1/6079=2, ~1915=2...(12) HB3 LYS 26 - HB2 LEU 87 poor 10 97 - 10 - HB3 LYS 26 - HB3 LEU 85 lone 10 100 - 10 - HG LEU 30 - HB3 LEU 85 lone 7 65 - 10 - HB2 LYS 56 - HB2 LEU 87 lone 4 92 - 4 - QB ALA 72 - HB3 LEU 85 lone 4 83 - 4 - HB2 LYS 56 - HB3 LEU 85 lone 3 96 - 3 - QB ALA 72 - HB2 LEU 87 lone 3 78 - 4 - HG3 ARG 27 - HB2 LEU 87 lone 3 97 - 3 - QB ALA 71 - HB3 LEU 85 lone 2 99 - 2 - QB ALA 71 - HB2 LEU 87 lone 2 96 - 2 - HG3 ARG 27 - HB3 LEU 85 lone 2 100 - 2 - HD2 LYS 56 - HB2 LEU 87 lone 2 81 - 3 - HD2 LYS 56 - HB3 LEU 85 lone 2 85 - 2 - HD3 LYS 64 - HB3 LEU 85 lone 2 97 - 2 - HG2 GLU 37 - HB3 LEU 85 lone 2 97 - 2 - HG LEU 34 - HB3 LEU 85 lone 2 100 - 2 - HD3 LYS 17 - HB3 LEU 85 lone 1 100 - 1 - HD2 LYS 17 - HB3 LEU 85 lone 1 100 - 1 - HG LEU 34 - HB2 LEU 87 lone 1 98 - 1 - HD3 LYS 17 - HB2 LEU 87 lone 1 97 - 1 - HD2 LYS 17 - HB2 LEU 87 lone 1 97 - 1 - HB2 ARG 45 - HB3 LEU 85 lone 1 100 - 1 - HD3 LYS 64 - HB2 LEU 87 lone 1 93 - 1 - HB2 ARG 45 - HB2 LEU 87 lone 1 97 - 1 - HB3 LYS 44 - HB2 LEU 87 lone 1 59 - 1 - HG2 GLU 37 - HB2 LEU 87 lone 1 93 - 1 - HB3 LYS 44 - HB3 LEU 85 lone 0 63 - 1 - Peak 3588 from cnoeabs.peaks (1.59, 1.59, 42.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 85 + HB3 LEU 85 OK 100 100 - 100 HB2 LEU 87 + HB2 LEU 87 OK 96 96 - 100 Peak 3589 from cnoeabs.peaks (1.60, 1.59, 42.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LEU 87 + HB2 LEU 87 OK 97 97 - 100 HB3 LEU 85 + HB3 LEU 85 OK 93 93 - 100 Reference assignment not found: HG LEU 85 - HB3 LEU 85 Peak 3590 from cnoeabs.peaks (0.89, 1.59, 42.21 ppm; 3.30 A): 5 out of 16 assignments used, quality = 1.00: * QD1 LEU 85 + HB3 LEU 85 OK 100 100 - 100 - 3.1=100 QD1 LEU 87 + HB2 LEU 87 OK 98 98 - 100 - 3.1=100 QD1 LEU 87 + HB3 LEU 85 OK 65 100 - 66 - 3602=4, 3583/1.8=4...(41) QD1 LEU 85 + HB2 LEU 87 OK 63 98 - 64 - 3650/1.8=4, 3602=4...(38) HB3 LEU 30 + HB2 LEU 87 OK 50 96 - 53 - 1891/3.0=5, 1894/1.8=4...(27) QD2 LEU 30 - HB2 LEU 87 OK 40 76 - 53 - 1912/3.0=5, 1915/1.8=5...(25) HD3 LYS 26 - HB3 LEU 85 OK 26 99 - 26 - 1734/3.1=3, 3583/1.8=2...(8) HD3 LYS 26 - HB2 LEU 87 OK 26 96 - 27 - 1734/3.1=3, 3638/1.8=2...(8) HB3 LEU 30 - HB3 LEU 85 OK 23 99 - 23 - 3583/1.8=2, 3.1/6079=1, ~1887=1 QD2 LEU 23 - HB3 LEU 85 OK 20 76 - 27 - 1610=2, 4478/1.8=2...(7) QD2 LEU 23 - HB2 LEU 87 OK 20 72 - 28 - 1610=3, 2.1/1617=2...(7) QD2 LEU 30 - HB3 LEU 85 OK 18 81 - 22 - 2.1/6079=2, 1915/1.8=1...(6) QD1 LEU 76 - HB2 LEU 87 poor 10 95 - 10 - 4080/4.2=2 QD1 LEU 76 - HB3 LEU 85 lone 9 98 - 9 - 4080/4.3=2 QB ALA 75 - HB3 LEU 85 lone 3 81 - 4 - QB ALA 75 - HB2 LEU 87 lone 3 76 - 4 - Peak 3591 from cnoeabs.peaks (0.84, 1.59, 42.21 ppm; 3.57 A): 4 out of 14 assignments used, quality = 1.00: * QD2 LEU 85 + HB3 LEU 85 OK 100 100 - 100 - 3.1=100 QD2 LEU 87 + HB2 LEU 87 OK 96 96 - 100 - 3.1=100 QD2 LEU 87 + HB3 LEU 85 OK 71 99 - 72 - 3607/3.0=6, 3584/1.8=6...(52) QD2 LEU 85 + HB2 LEU 87 OK 69 98 - 71 - 3607/3.0=5, 3657/1.8=5...(53) QD2 LEU 73 - HB2 LEU 87 OK 35 98 - 36 - 3200/3.0=3, 3200=3...(15) QD2 LEU 73 - HB3 LEU 85 OK 31 100 - 31 - 3200/3.0=3, 3584/1.8=2...(8) HD2 LYS 26 - HB3 LEU 85 OK 28 95 - 30 - 1725/3.1=3, 3584/1.8=2...(11) HD2 LYS 26 - HB2 LEU 87 OK 28 91 - 31 - 1725/3.1=3, 3639/1.8=2...(11) QG2 ILE 35 - HB3 LEU 85 lone 7 95 - 7 - 917/4.0=2 QG2 VAL 47 - HB3 LEU 85 lone 6 100 - 6 - QG1 VAL 47 - HB3 LEU 85 lone 6 92 - 6 - QG2 ILE 35 - HB2 LEU 87 lone 4 91 - 4 - QG2 VAL 47 - HB2 LEU 87 lone 4 97 - 4 - QG1 VAL 47 - HB2 LEU 87 lone 3 88 - 4 - Peak 3592 from cnoeabs.peaks (8.31, 1.60, 26.77 ppm; 4.00 A): 2 out of 24 assignments used, quality = 0.94: * H LEU 85 + HG LEU 85 OK 82 100 - 82 - 5.1=49, 3578/3.0=14...(21) H LEU 85 + HG LEU 87 OK 68 100 - 68 - 915=9, 3606/2.1=9...(30) H TYR 70 - HG LEU 73 OK 28 55 - 51 - ~5713=10, 5587/2.1=7...(14) H ALA 60 - HG LEU 85 OK 13 100 - 13 - 3606/2.1=3, 3578/3.0=2...(5) H GLY 16 - HG LEU 85 OK 13 87 - 15 - 3.0/4303=2, 3585/3.0=2...(10) H LEU 85 - HG LEU 73 OK 12 93 - 13 - 917/2.1=3, 3.6/5954=2, 915=1 H LEU 85 - HG LEU 23 lone 10 99 - 10 - 916/2.1=1, 915=1 H ALA 60 - HG LEU 87 lone 8 100 - 8 - 3606/2.1=2, 5356/3.0=1 H GLU 37 - HG LEU 85 lone 7 97 - 7 - 3578/3.0=2, 3606/2.1=1 H GLY 16 - HG LEU 87 lone 6 86 - 8 - H ALA 60 - HG LEU 73 lone 6 92 - 7 - 5357/2.1=3 H LYS 64 - HG LEU 85 lone 6 89 - 6 - 3578/3.0=1 H TYR 70 - HG LEU 85 lone 5 65 - 8 - H TYR 70 - HG LEU 23 lone 5 64 - 8 - 5587/2.1=1, 4.6/320=1 H TYR 70 - HG LEU 87 lone 5 64 - 8 - ~5608=1, 3.0/6137=1 H GLU 37 - HG LEU 87 lone 4 96 - 4 - H LYS 64 - HG LEU 87 lone 4 87 - 4 - H GLY 16 - HG LEU 23 lone 3 85 - 3 - H GLY 16 - HG LEU 73 lone 3 76 - 4 - H ALA 60 - HG LEU 23 lone 2 99 - 2 - H GLU 37 - HG LEU 73 lone 2 88 - 2 - H GLU 37 - HG LEU 23 lone 1 96 - 1 - H LYS 64 - HG LEU 73 lone 1 77 - 2 - H LYS 64 - HG LEU 23 lone 1 87 - 1 - Peak 3593 from cnoeabs.peaks (4.26, 1.60, 26.77 ppm; 3.92 A): 4 out of 28 assignments used, quality = 1.00: * HA LEU 85 + HG LEU 85 OK 100 100 - 100 - 3.7=100 HA LEU 87 + HG LEU 87 OK 89 89 - 100 - 3.7=100 HA LEU 85 + HG LEU 87 OK 75 100 - 75 - 3607/2.1=9, 2.9/915=7...(48) HA LEU 87 + HG LEU 85 OK 66 90 - 73 - 3607/2.1=7, 2.9/925=7...(47) HA LYS 78 - HG LEU 23 OK 27 99 - 27 - ~4483=5, 3.6/3640=3...(11) HA LYS 78 - HG LEU 73 OK 19 92 - 21 - ~6116=3, ~6145=3...(9) HA LYS 78 - HG LEU 87 OK 19 99 - 19 - 4087/5.2=4, 6131/3.7=2...(10) HA LEU 85 - HG LEU 23 OK 17 99 - 17 - ~1610=1, ~4478=1, ~1617=1 HA LEU 87 - HG LEU 73 OK 16 79 - 20 - 3577/2.1=2, ~3200=2...(12) HA LEU 85 - HG LEU 73 OK 15 93 - 17 - 3577/2.1=2, ~917=2...(7) HA LYS 78 - HG LEU 85 OK 15 100 - 15 - 5813/3.0=4, 912/5.1=2...(7) HA LEU 87 - HG LEU 23 OK 14 89 - 16 - ~1610=2, ~1617=1...(4) HA ALA 89 - HG LEU 87 OK 12 98 - 12 - ~6026=3, ~5963=2...(5) HA VAL 52 - HG LEU 87 OK 12 95 - 12 - 6130/3.7=4, 3607/2.1=1 HA ALA 89 - HG LEU 85 OK 10 99 - 10 - ~6026=3, 3.0/6026=1 HA3 GLY 39 - HG LEU 23 OK 10 94 - 11 - ~1606=2, ~1613=2...(6) HA ASP 53 - HG LEU 87 lone 7 77 - 10 - ~5133=2, 3634/3.0=1 HA VAL 52 - HG LEU 23 lone 7 94 - 7 - 5115/2.1=1, 2535/2.1=1 HA VAL 52 - HG LEU 85 lone 6 96 - 6 - HA ASP 53 - HG LEU 85 lone 5 78 - 7 - ~5133=1 HA ASP 53 - HG LEU 23 lone 4 76 - 5 - HA ALA 89 - HG LEU 23 lone 4 98 - 4 - 3.6/1599=2 HA VAL 52 - HG LEU 73 lone 4 85 - 4 - 5115/2.1=1 HA ASP 53 - HG LEU 73 lone 3 67 - 5 - HA3 GLY 39 - HG LEU 87 lone 2 95 - 2 - HA3 GLY 39 - HG LEU 85 lone 2 96 - 2 - HA ALA 89 - HG LEU 73 lone 2 90 - 2 - HA3 GLY 39 - HG LEU 73 lone 2 85 - 2 - Peak 3594 from cnoeabs.peaks (1.51, 1.60, 26.77 ppm; 2.52 A): 4 out of 64 assignments used, quality = 0.96: * HB2 LEU 85 + HG LEU 85 OK 72 100 - 72 - 3.0=62, 3573/3.7=3...(16) HB3 LEU 87 + HG LEU 87 OK 59 84 - 71 - 3.0=61, 3.9/925=3...(15) HB2 LEU 85 + HG LEU 87 OK 43 100 - 43 - 3582=4, 3584/2.1=2...(17) HB3 LEU 87 + HG LEU 85 OK 35 85 - 42 - 3637=3, 3.9/925=2...(14) QB ALA 72 - HG LEU 23 OK 20 81 - 25 - 5673/2.1=5, 6102/3.0=4...(10) HG LEU 30 - HG LEU 87 OK 14 64 - 23 - 2.1/6079=3, 1900/2.1=2...(10) HG3 ARG 27 - HG LEU 23 OK 13 99 - 13 - 6076/2.1=2, ~4548=2...(4) HG LEU 30 - HG LEU 23 OK 13 64 - 20 - 2.1/6079=3, ~6078=2...(8) HG LEU 30 - HG LEU 73 OK 12 55 - 22 - 2.1/6079=3, 1902/2.1=2...(9) HB3 LYS 26 - HG LEU 87 OK 12 99 - 12 - 1695/2.1=1, 1694/2.1=1 HG3 ARG 27 - HG LEU 73 OK 12 91 - 13 - ~4548=1, ~4544=1, ~4543=1 HB3 LYS 26 - HG LEU 85 OK 12 100 - 12 - 1695/2.1=1, 1694/2.1=1 HB2 LEU 85 - HG LEU 23 OK 10 99 - 10 - HB2 LEU 85 - HG LEU 73 OK 10 93 - 11 - QB ALA 72 - HG LEU 73 poor 10 72 - 14 - 3.6/858=4, 4.5/3165=2...(5) HB3 LYS 26 - HG LEU 73 poor 9 91 - 10 - 1692/2.1=1, 1694/2.1=1 QB ALA 71 - HG LEU 73 poor 9 90 - 10 - 5622/5.3=2, 5659/3.0=2 HB3 LEU 87 - HG LEU 73 poor 9 74 - 12 - 3637=1 HB3 LEU 87 - HG LEU 23 poor 9 83 - 10 - HB3 LYS 26 - HG LEU 23 lone 8 99 - 8 - 4522/4.3=2, 1695/2.1=1 HG LEU 30 - HG LEU 85 poor 7 65 - 10 - 2.1/6079=2 HD3 LYS 17 - HG LEU 23 lone 6 99 - 6 - HD2 LYS 17 - HG LEU 23 lone 6 99 - 6 - QB ALA 71 - HG LEU 23 lone 6 98 - 6 - 5661/2.1=1, 5660/2.1=1 QB ALA 72 - HG LEU 85 lone 5 83 - 7 - 5673/2.1=1 QB ALA 72 - HG LEU 87 lone 5 81 - 6 - 5673/2.1=1, 3.6/858=1 HB2 LYS 56 - HG LEU 23 lone 5 94 - 5 - HG3 ARG 27 - HG LEU 87 lone 4 99 - 4 - HB2 LYS 56 - HG LEU 87 lone 4 95 - 4 - HG3 ARG 27 - HG LEU 85 lone 3 100 - 3 - HB2 LYS 56 - HG LEU 85 lone 3 96 - 3 - QB ALA 71 - HG LEU 87 lone 3 98 - 3 - QB ALA 71 - HG LEU 85 lone 3 99 - 3 - HD2 LYS 56 - HG LEU 23 lone 3 83 - 3 - HD2 LYS 56 - HG LEU 87 lone 2 84 - 3 - HD2 LYS 56 - HG LEU 85 lone 2 85 - 2 - HG LEU 34 - HG LEU 23 lone 2 99 - 2 - HD2 LYS 17 - HG LEU 85 lone 2 100 - 2 - HD3 LYS 17 - HG LEU 85 lone 2 100 - 2 - HG LEU 34 - HG LEU 85 lone 2 100 - 2 - HB2 LYS 56 - HG LEU 73 lone 2 85 - 2 - HG2 GLU 37 - HG LEU 85 lone 1 97 - 2 - HG2 GLU 37 - HG LEU 23 lone 1 95 - 2 - HD2 LYS 17 - HG LEU 87 lone 1 99 - 1 - HD3 LYS 17 - HG LEU 87 lone 1 99 - 1 - HD3 LYS 64 - HG LEU 85 lone 1 97 - 1 - HG LEU 34 - HG LEU 87 lone 1 100 - 1 - HD3 LYS 64 - HG LEU 87 lone 1 96 - 1 - HB2 ARG 45 - HG LEU 85 lone 1 100 - 1 - HG2 GLU 37 - HG LEU 73 lone 1 86 - 1 - HD2 LYS 56 - HG LEU 73 lone 1 74 - 1 - HD3 LYS 64 - HG LEU 23 lone 1 95 - 1 - HG LEU 34 - HG LEU 73 lone 1 92 - 1 - HB2 ARG 45 - HG LEU 87 lone 1 99 - 1 - HD3 LYS 17 - HG LEU 73 lone 1 92 - 1 - HD2 LYS 17 - HG LEU 73 lone 1 92 - 1 - HB2 ARG 45 - HG LEU 73 lone 1 92 - 1 - HG2 GLU 37 - HG LEU 87 lone 1 96 - 1 - HB3 LYS 44 - HG LEU 87 lone 1 62 - 1 - HB2 ARG 45 - HG LEU 23 lone 0 99 - 0 - HD3 LYS 64 - HG LEU 73 lone 0 86 - 1 - HB3 LYS 44 - HG LEU 23 lone 0 61 - 1 - HB3 LYS 44 - HG LEU 73 lone 0 53 - 1 - HB3 LYS 44 - HG LEU 85 lone 0 63 - 1 - Peak 3595 from cnoeabs.peaks (1.59, 1.60, 26.77 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG LEU 85 + HG LEU 85 OK 93 93 - 100 HG LEU 87 + HG LEU 87 OK 84 84 - 100 HG LEU 23 + HG LEU 23 OK 81 81 - 100 HG LEU 73 + HG LEU 73 OK 53 53 - 100 Reference assignment not found: HB3 LEU 85 - HG LEU 85 Peak 3596 from cnoeabs.peaks (1.60, 1.60, 26.77 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG LEU 85 + HG LEU 85 OK 100 100 - 100 HG LEU 87 + HG LEU 87 OK 99 99 - 100 HG LEU 23 + HG LEU 23 OK 98 98 - 100 HG LEU 73 + HG LEU 73 OK 82 82 - 100 Peak 3597 from cnoeabs.peaks (0.89, 1.60, 26.77 ppm; 3.01 A): 5 out of 32 assignments used, quality = 1.00: * QD1 LEU 85 + HG LEU 85 OK 100 100 - 100 - 2.1=100 QD1 LEU 87 + HG LEU 87 OK 99 99 - 100 - 2.1=100 QD2 LEU 23 + HG LEU 23 OK 74 74 - 100 - 2.1=100 QD1 LEU 87 + HG LEU 85 OK 47 100 - 47 - 3605/2.1=4, 3603=3...(24) QD1 LEU 85 + HG LEU 87 OK 46 100 - 47 - 3605/2.1=4, 3603=3...(27) HB3 LEU 30 - HG LEU 87 OK 38 98 - 39 - 3.1/6079=4, 1891/3.7=3...(16) HB3 LEU 30 - HG LEU 73 OK 30 89 - 33 - 1895/2.1=4, 3.1/6079=4...(15) HB3 LEU 30 - HG LEU 23 OK 29 97 - 30 - 1895/2.1=4, 3.1/6079=3...(15) QD2 LEU 30 - HG LEU 87 OK 29 79 - 37 - 2.1/6079=5, 1912/3.7=4...(19) QD2 LEU 23 - HG LEU 73 OK 26 65 - 40 - 2.1/1617=5, 1610=4...(21) QD1 LEU 76 - HG LEU 23 OK 23 97 - 24 - 3244/4.3=3, ~5773=3...(12) QD2 LEU 30 - HG LEU 23 OK 23 79 - 30 - 2.1/6079=4, 1916/2.1=4...(18) HD3 LYS 26 - HG LEU 87 OK 22 98 - 23 - 1734/2.1=3, ~1725=2...(6) QD2 LEU 30 - HG LEU 73 OK 22 69 - 32 - 2.1/6079=5, 1916/2.1=4...(15) HD3 LYS 26 - HG LEU 85 OK 22 99 - 22 - 1734/2.1=3, ~1725=2...(4) QD1 LEU 87 - HG LEU 73 OK 20 92 - 22 - 3605/2.1=2, ~3200=2...(10) HD3 LYS 26 - HG LEU 73 OK 19 89 - 22 - 1734/2.1=3, 1732/2.1=2...(7) HB3 LEU 30 - HG LEU 85 OK 19 99 - 19 - 3.1/6079=2, ~1886=1 QD1 LEU 87 - HG LEU 23 OK 17 99 - 18 - 1618/2.1=2, 3603=1...(6) QD1 LEU 85 - HG LEU 73 OK 17 93 - 19 - 3605/2.1=1, 3603=1...(5) QD2 LEU 23 - HG LEU 87 OK 17 75 - 23 - 2.1/1617=3, 1610=3...(7) QD1 LEU 85 - HG LEU 23 OK 17 99 - 17 - 3603=1, 1618/2.1=1...(5) QD2 LEU 23 - HG LEU 85 OK 17 76 - 22 - 2.1/1617=3, 1610=2...(7) HD3 LYS 26 - HG LEU 23 OK 15 97 - 15 - 4525/4.3=3, 1618/2.1=2...(6) QD2 LEU 30 - HG LEU 85 OK 14 81 - 17 - 2.1/6079=2 QD1 LEU 76 - HG LEU 87 lone 9 97 - 10 - 4080/4.9=1, ~6174=1 QB ALA 75 - HG LEU 73 poor 9 69 - 13 - ~5706=2, ~5750=2...(7) QD1 LEU 76 - HG LEU 73 lone 9 89 - 10 - ~6174=2, ~6173=1, ~6172=1 QD1 LEU 76 - HG LEU 85 lone 7 98 - 7 - QB ALA 75 - HG LEU 23 lone 4 79 - 6 - ~5765=1 QB ALA 75 - HG LEU 87 lone 3 79 - 4 - QB ALA 75 - HG LEU 85 lone 3 81 - 3 - Peak 3598 from cnoeabs.peaks (0.84, 1.60, 26.77 ppm; 2.90 A): 3 out of 28 assignments used, quality = 1.00: * QD2 LEU 85 + HG LEU 85 OK 100 100 - 100 - 2.1=100 QD2 LEU 87 + HG LEU 87 OK 98 98 - 100 - 2.1=100 QD2 LEU 73 + HG LEU 73 OK 92 92 - 100 - 2.1=100 QD2 LEU 85 - HG LEU 87 OK 44 100 - 45 - 3605/2.1=3, 3610=3...(21) QD2 LEU 87 - HG LEU 85 OK 44 99 - 45 - 3605/2.1=3, 3607/3.7=3...(22) QD2 LEU 73 - HG LEU 23 OK 42 99 - 42 - 3200=7, 3201/2.1=6...(18) QD2 LEU 73 - HG LEU 87 OK 27 99 - 28 - 3200=4, 2.1/3193=2...(10) QD2 LEU 73 - HG LEU 85 OK 24 100 - 24 - 3200=4, 2.1/3193=2...(7) QD2 LEU 87 - HG LEU 73 OK 20 90 - 22 - 3195/2.1=2, 3174/3.0=2...(7) HD2 LYS 26 - HG LEU 87 OK 19 93 - 21 - 1725/2.1=3, ~1734=2...(4) HD2 LYS 26 - HG LEU 85 OK 19 95 - 20 - 1725/2.1=3, ~1734=1...(4) QD2 LEU 85 - HG LEU 73 OK 18 93 - 19 - 3195/2.1=2, 3174/3.0=2...(5) HD2 LYS 26 - HG LEU 73 OK 17 84 - 20 - 1722/2.1=2, 3181/3.0=2...(6) QD2 LEU 87 - HG LEU 23 OK 16 98 - 16 - 3658=1, ~1617=1, ~1610=1 QD2 LEU 85 - HG LEU 23 OK 16 99 - 16 - 3610=1, ~1610=1, ~1617=1 QG2 ILE 35 - HG LEU 73 OK 15 84 - 17 - ~6147=2, ~5714=2...(10) HD2 LYS 26 - HG LEU 23 OK 12 93 - 13 - 4524/4.3=2, 1725/2.1=2...(5) QG2 ILE 35 - HG LEU 85 lone 4 95 - 4 - QG2 VAL 47 - HG LEU 73 lone 4 92 - 4 - QG2 VAL 47 - HG LEU 85 lone 3 100 - 3 - QG1 VAL 47 - HG LEU 73 lone 3 81 - 4 - QG1 VAL 47 - HG LEU 85 lone 3 92 - 3 - QG2 ILE 35 - HG LEU 23 lone 3 93 - 3 - QG2 ILE 35 - HG LEU 87 lone 3 93 - 3 - QG2 VAL 47 - HG LEU 87 lone 2 99 - 2 - QG1 VAL 47 - HG LEU 87 lone 2 91 - 2 - QG2 VAL 47 - HG LEU 23 lone 1 99 - 1 - QG1 VAL 47 - HG LEU 23 lone 1 90 - 1 - Peak 3599 from cnoeabs.peaks (8.31, 0.89, 24.73 ppm; 5.30 A): 2 out of 12 assignments used, quality = 1.00: * H LEU 85 + QD1 LEU 85 OK 100 100 - 100 - 4.7=100 H LEU 85 + QD1 LEU 87 OK 86 100 - 86 - 916=15, 3606/2.1=13...(31) H ALA 60 - QD1 LEU 85 OK 20 100 - 20 - 3606/2.1=4, 3578/3.1=3...(7) H GLY 16 - QD1 LEU 85 OK 16 87 - 19 - 4301/2.1=3, ~4303=2...(8) H ALA 60 - QD1 LEU 87 OK 14 100 - 14 - 3606/2.1=3, 5356/3.1=2...(4) H GLU 37 - QD1 LEU 85 OK 13 97 - 13 - 3578/3.1=2, 3606/2.1=2...(6) H GLY 16 - QD1 LEU 87 poor 9 86 - 11 - 4301/2.1=2, 4301/3.1=1...(4) H LYS 64 - QD1 LEU 85 lone 9 89 - 10 - 3578/3.1=2, 3585/3.1=1...(4) H GLU 37 - QD1 LEU 87 lone 8 97 - 8 - H TYR 70 - QD1 LEU 85 poor 7 65 - 11 - ~5608=2, 3606/2.1=1...(4) H TYR 70 - QD1 LEU 87 poor 7 65 - 11 - ~5608=2, ~6137=1, 3606/2.1=1 H LYS 64 - QD1 LEU 87 lone 6 88 - 7 - Peak 3600 from cnoeabs.peaks (4.26, 0.89, 24.73 ppm; 3.81 A): 4 out of 14 assignments used, quality = 1.00: * HA LEU 85 + QD1 LEU 85 OK 96 100 - 96 - 4.0=89, 3607/2.1=11...(23) HA LEU 87 + QD1 LEU 87 OK 83 90 - 92 - 4.1=81, 3607/2.1=8...(22) HA LEU 85 + QD1 LEU 87 OK 70 100 - 71 - 3607/2.1=8, 3576=7...(40) HA LEU 87 + QD1 LEU 85 OK 61 90 - 68 - 3607/2.1=7, 912/4.7=5...(40) HA LYS 78 - QD1 LEU 87 OK 21 100 - 21 - 4087/4.7=4, 3.6/5834=2...(10) HA LYS 78 - QD1 LEU 85 OK 16 100 - 16 - 5813/3.1=4, 912/4.7=2...(7) HA VAL 52 - QD1 LEU 87 OK 12 95 - 12 - 6130/4.1=3, 3607/2.1=1 HA ALA 89 - QD1 LEU 87 OK 11 99 - 11 - ~6026=2, ~5963=1...(4) HA ALA 89 - QD1 LEU 85 lone 8 99 - 8 - ~6026=2 HA ASP 53 - QD1 LEU 87 lone 8 78 - 10 - ~5133=2, 922/4.7=1 HA VAL 52 - QD1 LEU 85 lone 7 96 - 7 - HA ASP 53 - QD1 LEU 85 lone 5 78 - 7 - ~5133=1 HA3 GLY 39 - QD1 LEU 87 lone 2 95 - 2 - HA3 GLY 39 - QD1 LEU 85 lone 2 96 - 2 - Peak 3601 from cnoeabs.peaks (1.51, 0.89, 24.73 ppm; 3.39 A): 4 out of 32 assignments used, quality = 1.00: * HB2 LEU 85 + QD1 LEU 85 OK 100 100 - 100 - 3.1=100 HB3 LEU 87 + QD1 LEU 87 OK 84 84 - 100 - 3.1=100 HB2 LEU 85 + QD1 LEU 87 OK 67 100 - 68 - 3583=6, 3584/2.1=5...(44) HB3 LEU 87 + QD1 LEU 85 OK 55 85 - 66 - 3583=5, 1.8/3590=4...(40) HB3 LYS 26 - QD1 LEU 87 OK 32 99 - 33 - 1.8/1685=3, 1695=3...(14) HB3 LYS 26 - QD1 LEU 85 OK 31 100 - 31 - 1.8/1685=3, 1695=3...(14) HG LEU 30 - QD1 LEU 87 OK 29 65 - 45 - 2.1/1907=5, 1900=4...(21) HG LEU 30 - QD1 LEU 85 OK 14 65 - 22 - 2.1/1907=2, 1900=2...(4) QB ALA 72 - QD1 LEU 87 OK 12 82 - 14 - 5673=3, 2.1/5768=2, 2.9/5668=1 QB ALA 72 - QD1 LEU 85 OK 12 83 - 14 - 5673=3, 2.1/5768=2, 2.9/5668=1 HG3 ARG 27 - QD1 LEU 87 OK 11 99 - 11 - 2.9/4545=1, 2.9/4546=1 QB ALA 71 - QD1 LEU 87 lone 10 99 - 10 - 4.2/5673=1, 5660=1, 3.7/5668=1 HG3 ARG 27 - QD1 LEU 85 lone 9 100 - 9 - 2.9/4546=1, 2.9/4545=1 QB ALA 71 - QD1 LEU 85 lone 9 99 - 9 - 4.2/5673=1, 5660=1 HB2 LYS 56 - QD1 LEU 87 lone 9 95 - 9 - 2619/4.7=1 HB2 LYS 56 - QD1 LEU 85 lone 7 96 - 7 - HD2 LYS 56 - QD1 LEU 87 lone 6 84 - 6 - HD2 LYS 56 - QD1 LEU 85 lone 5 85 - 5 - HG LEU 34 - QD1 LEU 85 lone 4 100 - 4 - HD3 LYS 17 - QD1 LEU 85 lone 4 100 - 4 - HD2 LYS 17 - QD1 LEU 85 lone 4 100 - 4 - HG LEU 34 - QD1 LEU 87 lone 4 100 - 4 - HG2 GLU 37 - QD1 LEU 85 lone 4 97 - 4 - HD3 LYS 17 - QD1 LEU 87 lone 3 100 - 3 - HD2 LYS 17 - QD1 LEU 87 lone 3 100 - 3 - HD3 LYS 64 - QD1 LEU 85 lone 3 97 - 3 - HD3 LYS 64 - QD1 LEU 87 lone 3 96 - 3 - HB2 ARG 45 - QD1 LEU 85 lone 3 100 - 2 - HG2 GLU 37 - QD1 LEU 87 lone 2 96 - 2 - HB2 ARG 45 - QD1 LEU 87 lone 2 100 - 2 - HB3 LYS 44 - QD1 LEU 87 lone 2 62 - 3 - HB3 LYS 44 - QD1 LEU 85 lone 1 63 - 2 - Peak 3602 from cnoeabs.peaks (1.59, 0.89, 24.73 ppm; 3.02 A): 6 out of 24 assignments used, quality = 1.00: * HB3 LEU 85 + QD1 LEU 85 OK 96 100 - 96 - 3.1=93, 3609/2.1=5...(18) HG LEU 85 + QD1 LEU 85 OK 93 93 - 100 - 2.1=100 HB2 LEU 87 + QD1 LEU 87 OK 92 98 - 94 - 3.1=90, 3609/2.1=4...(18) HG LEU 87 + QD1 LEU 87 OK 84 84 - 100 - 2.1=100 HB3 LEU 85 + QD1 LEU 87 OK 57 100 - 57 - 3590=4, 1.8/3583=4...(28) HB2 LEU 87 + QD1 LEU 85 OK 55 99 - 56 - 3590=4, 1.8/3650=4...(28) HG LEU 85 - QD1 LEU 87 OK 42 93 - 46 - 2.1/3605=4, 3.0/3583=3...(24) HG LEU 87 - QD1 LEU 85 OK 38 85 - 46 - 2.1/3605=4, 3.0/3650=3...(28) HG LEU 23 - QD1 LEU 87 OK 16 82 - 19 - 2.1/1618=2, 3.0/1597=2...(5) HG LEU 23 - QD1 LEU 85 OK 15 83 - 18 - 2.1/1618=2, 3.0/1597=1...(5) HG LEU 73 - QD1 LEU 87 OK 13 62 - 21 - 2.1/3605=2, ~3200=2...(9) HG LEU 73 - QD1 LEU 85 OK 12 63 - 18 - 2.1/3605=1, ~3200=1...(5) HB2 LYS 68 - QD1 LEU 85 lone 4 96 - 4 - HB2 LYS 68 - QD1 LEU 87 lone 4 95 - 4 - HD3 LYS 65 - QD1 LEU 85 lone 2 97 - 2 - HD2 LYS 65 - QD1 LEU 85 lone 2 95 - 2 - HD3 LYS 65 - QD1 LEU 87 lone 2 97 - 2 - HD2 LYS 65 - QD1 LEU 87 lone 2 94 - 3 - HB2 LEU 12 - QD1 LEU 85 lone 2 99 - 2 - HB2 LEU 12 - QD1 LEU 87 lone 2 98 - 2 - HD2 LYS 14 - QD1 LEU 85 lone 1 99 - 1 - HD3 LYS 14 - QD1 LEU 85 lone 1 99 - 1 - HD2 LYS 14 - QD1 LEU 87 lone 1 99 - 1 - HD3 LYS 14 - QD1 LEU 87 lone 1 98 - 1 - Peak 3603 from cnoeabs.peaks (1.60, 0.89, 24.73 ppm; 3.02 A): 8 out of 24 assignments used, quality = 1.00: * HG LEU 85 + QD1 LEU 85 OK 100 100 - 100 - 2.1=100 HG LEU 87 + QD1 LEU 87 OK 99 99 - 100 - 2.1=100 HB2 LEU 87 + QD1 LEU 87 OK 93 99 - 94 - 3.1=90, 3656/2.1=4...(18) HB3 LEU 85 + QD1 LEU 85 OK 89 93 - 96 - 3.1=93, 3610/2.1=4...(18) HB2 LEU 87 + QD1 LEU 85 OK 55 99 - 56 - 3631=4, 1.8/3650=4...(28) HB3 LEU 85 + QD1 LEU 87 OK 53 93 - 57 - 3631=4, 1.8/3583=4...(28) HG LEU 85 + QD1 LEU 87 OK 46 100 - 46 - 2.1/3605=4, 3597=3...(24) HG LEU 87 + QD1 LEU 85 OK 45 100 - 46 - 2.1/3605=4, 3.0/3650=3...(28) HG LEU 73 - QD1 LEU 87 OK 20 93 - 22 - 2.1/3605=2, ~3200=2...(10) HG LEU 23 - QD1 LEU 87 OK 19 99 - 20 - 2.1/1618=2, 3.0/1597=2...(6) HG LEU 23 - QD1 LEU 85 OK 19 99 - 19 - 2.1/1618=2, 3.0/1597=1...(6) HG LEU 73 - QD1 LEU 85 OK 18 93 - 19 - 2.1/3605=1, ~3200=1...(6) HB2 LYS 68 - QD1 LEU 85 lone 5 100 - 5 - HB2 LYS 68 - QD1 LEU 87 lone 5 100 - 5 - HB2 LEU 12 - QD1 LEU 85 lone 2 99 - 2 - HB2 LEU 12 - QD1 LEU 87 lone 2 99 - 2 - HD3 LYS 65 - QD1 LEU 85 lone 2 73 - 2 - HD3 LYS 65 - QD1 LEU 87 lone 2 73 - 2 - HD2 LYS 65 - QD1 LEU 85 lone 2 65 - 2 - HD2 LYS 65 - QD1 LEU 87 lone 2 65 - 2 - HD2 LYS 14 - QD1 LEU 85 lone 1 81 - 1 - HD2 LYS 14 - QD1 LEU 87 lone 1 80 - 1 - HD3 LYS 14 - QD1 LEU 85 lone 1 78 - 1 - HD3 LYS 14 - QD1 LEU 87 lone 1 78 - 1 - Peak 3604 from cnoeabs.peaks (0.89, 0.89, 24.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 85 + QD1 LEU 85 OK 100 100 - 100 QD1 LEU 87 + QD1 LEU 87 OK 100 100 - 100 Peak 3605 from cnoeabs.peaks (0.84, 0.89, 24.73 ppm; 2.40 A): 2 out of 14 assignments used, quality = 1.00: * QD2 LEU 85 + QD1 LEU 85 OK 100 100 - 100 - 2.1=100 QD2 LEU 87 + QD1 LEU 87 OK 99 99 - 100 - 2.1=100 QD2 LEU 85 - QD1 LEU 87 OK 32 100 - 33 - 3611=4, 3657/3.1=2...(11) QD2 LEU 87 - QD1 LEU 85 OK 32 99 - 33 - 3659=4, 3607/4.0=2...(10) HD2 LYS 26 - QD1 LEU 87 OK 18 94 - 19 - 1725=4, 3.0/1705=1...(4) HD2 LYS 26 - QD1 LEU 85 OK 17 95 - 18 - 1725=4, 3.0/1705=1, 3.0/1715=1 QD2 LEU 73 - QD1 LEU 87 OK 14 100 - 14 - 3200/2.1=2, 3200/3.1=1 QD2 LEU 73 - QD1 LEU 85 OK 12 100 - 12 - 3200/2.1=2 QG2 ILE 35 - QD1 LEU 85 lone 3 95 - 3 - QG2 VAL 47 - QD1 LEU 85 lone 2 100 - 2 - QG1 VAL 47 - QD1 LEU 85 lone 2 92 - 2 - QG2 VAL 47 - QD1 LEU 87 lone 2 100 - 2 - QG2 ILE 35 - QD1 LEU 87 lone 2 94 - 2 - QG1 VAL 47 - QD1 LEU 87 lone 1 91 - 1 - Peak 3606 from cnoeabs.peaks (8.31, 0.84, 23.25 ppm; 4.21 A): 2 out of 12 assignments used, quality = 0.97: * H LEU 85 + QD2 LEU 85 OK 90 100 - 90 - 4.7=73, 3578/3.1=15...(16) H LEU 85 + QD2 LEU 87 OK 67 94 - 71 - 3585/3.1=9, 916/2.1=9...(29) H ALA 60 - QD2 LEU 85 OK 22 100 - 22 - 5357=4, 3578/3.1=2...(11) H ALA 60 - QD2 LEU 87 OK 13 94 - 14 - 5357=3, 5356/3.1=1...(6) H GLY 16 - QD2 LEU 85 OK 10 87 - 12 - 3585/3.1=2, 3592/2.1=2...(7) H GLU 37 - QD2 LEU 85 poor 10 97 - 10 - 3578/3.1=2, 3585/3.1=1 H TYR 70 - QD2 LEU 85 poor 7 65 - 11 - 1059/5959=2, 3.0/5608=1 H LYS 64 - QD2 LEU 85 lone 6 89 - 7 - 3578/3.1=1, 3585/3.1=1 H TYR 70 - QD2 LEU 87 poor 6 57 - 11 - 1059/5959=2, 3.0/5608=2 H GLY 16 - QD2 LEU 87 lone 5 77 - 7 - H GLU 37 - QD2 LEU 87 lone 5 89 - 5 - H LYS 64 - QD2 LEU 87 lone 4 79 - 5 - Peak 3607 from cnoeabs.peaks (4.26, 0.84, 23.25 ppm; 2.93 A): 5 out of 14 assignments used, quality = 0.95: * HA LEU 85 + QD2 LEU 85 OK 65 100 - 65 - 4.0=40, 3573/3.1=5...(21) HA LEU 85 + QD2 LEU 87 OK 48 94 - 51 - 3577=9, 2.9/3606=4...(25) HA LEU 87 + QD2 LEU 87 OK 48 81 - 59 - 4.1=37, 3600/2.1=4...(19) HA LEU 87 + QD2 LEU 85 OK 42 90 - 47 - 3577=7, 3579/3.1=3...(23) HA LYS 78 + QD2 LEU 87 OK 10 93 - 11 - 4087/4.7=2, 3600/2.1=1 HA LYS 78 - QD2 LEU 85 lone 8 100 - 8 - 5813/3.1=2 HA VAL 52 - QD2 LEU 87 lone 7 87 - 8 - 6130/4.1=2, 3.6/5133=1 HA ALA 89 - QD2 LEU 87 lone 6 91 - 7 - 2.1/5963=1, ~6026=1 HA ALA 89 - QD2 LEU 85 lone 5 99 - 5 - ~6026=1 HA ASP 53 - QD2 LEU 87 lone 4 69 - 6 - 2.9/5133=2 HA VAL 52 - QD2 LEU 85 lone 4 96 - 4 - HA ASP 53 - QD2 LEU 85 lone 3 78 - 4 - 2.9/5133=1 HA3 GLY 39 - QD2 LEU 87 lone 1 87 - 1 - HA3 GLY 39 - QD2 LEU 85 lone 1 96 - 1 - Peak 3608 from cnoeabs.peaks (1.51, 0.84, 23.25 ppm; 3.24 A): 4 out of 32 assignments used, quality = 1.00: * HB2 LEU 85 + QD2 LEU 85 OK 100 100 - 100 - 3.1=100 HB3 LEU 87 + QD2 LEU 87 OK 75 75 - 100 - 3.1=100 HB2 LEU 85 + QD2 LEU 87 OK 60 94 - 64 - 3584=6, 3.0/3607=5...(36) HB3 LEU 87 + QD2 LEU 85 OK 53 85 - 63 - 3584=5, 3.0/3607=5...(38) HB3 LYS 26 - QD2 LEU 85 OK 27 100 - 27 - 1.8/1684=2, 1695/2.1=2...(11) HB3 LYS 26 - QD2 LEU 87 OK 27 93 - 29 - 1.8/1684=3, 1695/2.1=2...(14) HG LEU 30 - QD2 LEU 87 OK 22 57 - 40 - ~6079=3, 1900/2.1=3...(21) HG LEU 30 - QD2 LEU 85 OK 12 65 - 18 - ~6079=1, 1900/2.1=1, ~1907=1 QB ALA 72 - QD2 LEU 85 poor 9 83 - 11 - 5673/2.1=2, 3.6/860=2, ~5768=1 QB ALA 72 - QD2 LEU 87 poor 8 73 - 11 - 5673/2.1=2, 3.6/860=2...(4) HG3 ARG 27 - QD2 LEU 87 lone 8 93 - 8 - QB ALA 71 - QD2 LEU 85 lone 8 99 - 8 - 5632/5959=1 QB ALA 71 - QD2 LEU 87 lone 7 91 - 7 - 5632/5959=1 HG3 ARG 27 - QD2 LEU 85 lone 7 100 - 6 - HB2 LYS 56 - QD2 LEU 87 lone 6 87 - 7 - 2619/4.7=1 HB2 LYS 56 - QD2 LEU 85 lone 6 96 - 6 - HD2 LYS 56 - QD2 LEU 87 lone 4 75 - 5 - HG LEU 34 - QD2 LEU 85 lone 4 100 - 4 - HD2 LYS 56 - QD2 LEU 85 lone 4 85 - 4 - HG2 GLU 37 - QD2 LEU 85 lone 3 97 - 3 - HD3 LYS 17 - QD2 LEU 85 lone 3 100 - 3 - HD2 LYS 17 - QD2 LEU 85 lone 3 100 - 3 - HD3 LYS 64 - QD2 LEU 85 lone 3 97 - 3 - HG LEU 34 - QD2 LEU 87 lone 3 94 - 3 - HB2 ARG 45 - QD2 LEU 85 lone 3 100 - 3 - HD3 LYS 17 - QD2 LEU 87 lone 2 93 - 2 - HD2 LYS 17 - QD2 LEU 87 lone 2 93 - 2 - HD3 LYS 64 - QD2 LEU 87 lone 2 88 - 3 - HB2 ARG 45 - QD2 LEU 87 lone 2 93 - 2 - HG2 GLU 37 - QD2 LEU 87 lone 1 88 - 2 - HB3 LYS 44 - QD2 LEU 87 lone 1 54 - 2 - HB3 LYS 44 - QD2 LEU 85 lone 1 63 - 2 - Peak 3609 from cnoeabs.peaks (1.59, 0.84, 23.25 ppm; 2.89 A): 6 out of 24 assignments used, quality = 1.00: HG LEU 85 + QD2 LEU 85 OK 93 93 - 100 - 2.1=100 * HB3 LEU 85 + QD2 LEU 85 OK 88 100 - 88 - 3.1=81, 3.0/3607=6...(17) HB2 LEU 87 + QD2 LEU 87 OK 78 91 - 86 - 3.1=79, 3.0/3607=4...(15) HG LEU 87 + QD2 LEU 87 OK 75 75 - 100 - 2.1=100 HB2 LEU 87 + QD2 LEU 85 OK 51 99 - 53 - 3591=4, 3.0/3607=4...(25) HB3 LEU 85 + QD2 LEU 87 OK 50 94 - 54 - 3.0/3607=4, 3591=4...(27) HG LEU 87 - QD2 LEU 85 OK 36 85 - 43 - 2.1/3605=3, 3598=3...(21) HG LEU 85 - QD2 LEU 87 OK 36 84 - 44 - 2.1/3605=3, 3.7/3607=3...(22) HG LEU 23 - QD2 LEU 85 OK 13 83 - 16 - 3598=1, ~1610=1, ~1617=1 HG LEU 73 - QD2 LEU 85 OK 12 63 - 20 - 2.1/3195=2, 3.0/3174=2...(5) HG LEU 73 - QD2 LEU 87 OK 12 54 - 23 - 2.1/3195=2, 3.0/3174=2...(7) HG LEU 23 - QD2 LEU 87 OK 11 73 - 16 - 3598=1, ~1617=1, ~1610=1 HB2 LYS 68 - QD2 LEU 85 lone 7 96 - 7 - 4.0/5959=4 HB2 LYS 68 - QD2 LEU 87 lone 6 87 - 7 - 4.0/5959=4 HD3 LYS 65 - QD2 LEU 85 lone 2 97 - 2 - HD2 LYS 65 - QD2 LEU 85 lone 2 95 - 2 - HD3 LYS 65 - QD2 LEU 87 lone 2 89 - 2 - HB2 LEU 12 - QD2 LEU 85 lone 2 99 - 2 - HD2 LYS 65 - QD2 LEU 87 lone 2 85 - 2 - HB2 LEU 12 - QD2 LEU 87 lone 2 91 - 2 - HD2 LYS 14 - QD2 LEU 85 lone 1 99 - 1 - HD3 LYS 14 - QD2 LEU 85 lone 1 99 - 1 - HD2 LYS 14 - QD2 LEU 87 lone 1 91 - 1 - HD3 LYS 14 - QD2 LEU 87 lone 1 91 - 1 - Peak 3610 from cnoeabs.peaks (1.60, 0.84, 23.25 ppm; 2.89 A): 5 out of 24 assignments used, quality = 1.00: * HG LEU 85 + QD2 LEU 85 OK 100 100 - 100 - 2.1=100 HG LEU 87 + QD2 LEU 87 OK 93 93 - 100 - 2.1=100 HB3 LEU 85 + QD2 LEU 85 OK 82 93 - 88 - 3.1=81, 3.0/3607=6...(17) HB2 LEU 87 + QD2 LEU 87 OK 80 92 - 86 - 3.1=79, 3.0/3607=4...(15) HB2 LEU 87 + QD2 LEU 85 OK 52 99 - 52 - 3.0/3607=4, 3591=3...(25) HB3 LEU 85 - QD2 LEU 87 OK 45 84 - 54 - 3.0/3607=4, 1.8/3584=4...(27) HG LEU 87 - QD2 LEU 85 OK 43 100 - 44 - 2.1/3605=3, 3598=3...(21) HG LEU 85 - QD2 LEU 87 OK 41 94 - 44 - 2.1/3605=3, 3598=3...(22) HG LEU 73 - QD2 LEU 87 OK 20 84 - 23 - 2.1/3195=2, 3.0/3174=2...(7) HG LEU 73 - QD2 LEU 85 OK 19 93 - 20 - 2.1/3195=2, 3.0/3174=2...(5) HG LEU 23 - QD2 LEU 85 OK 16 99 - 16 - 3598=1, ~1610=1, ~1617=1 HG LEU 23 - QD2 LEU 87 OK 15 92 - 16 - 3598=1, ~1617=1, ~1610=1 HB2 LYS 68 - QD2 LEU 85 lone 7 100 - 7 - 4.0/5959=4 HB2 LYS 68 - QD2 LEU 87 lone 7 94 - 8 - 4.0/5959=4 HB2 LEU 12 - QD2 LEU 85 lone 2 99 - 2 - HB2 LEU 12 - QD2 LEU 87 lone 2 92 - 2 - HD3 LYS 65 - QD2 LEU 85 lone 2 73 - 2 - HD2 LYS 65 - QD2 LEU 85 lone 2 65 - 2 - HD3 LYS 65 - QD2 LEU 87 lone 1 64 - 2 - HD2 LYS 65 - QD2 LEU 87 lone 1 57 - 2 - HD2 LYS 14 - QD2 LEU 85 lone 1 81 - 1 - HD3 LYS 14 - QD2 LEU 85 lone 1 78 - 1 - HD2 LYS 14 - QD2 LEU 87 lone 1 71 - 1 - HD3 LYS 14 - QD2 LEU 87 lone 1 69 - 1 - Peak 3611 from cnoeabs.peaks (0.89, 0.84, 23.25 ppm; 2.40 A): 2 out of 16 assignments used, quality = 1.00: * QD1 LEU 85 + QD2 LEU 85 OK 100 100 - 100 - 2.1=100 QD1 LEU 87 + QD2 LEU 87 OK 93 93 - 100 - 2.1=100 QD1 LEU 87 - QD2 LEU 85 OK 33 100 - 33 - 3605=5, 3.1/3591=2...(11) QD1 LEU 85 - QD2 LEU 87 OK 31 94 - 33 - 3605=5, 4.0/3607=2...(10) HB3 LEU 30 - QD2 LEU 87 OK 20 91 - 22 - 1891/4.1=2, 1894/3.1=2...(7) HD3 LYS 26 - QD2 LEU 85 OK 17 99 - 17 - 1734=4 HD3 LYS 26 - QD2 LEU 87 OK 17 91 - 18 - 1734=4, 3.0/1704=1 QD2 LEU 30 - QD2 LEU 87 OK 15 71 - 22 - 1915/3.1=2, 1912/4.1=2...(7) HB3 LEU 30 - QD2 LEU 85 lone 9 99 - 9 - QD2 LEU 23 - QD2 LEU 85 poor 8 76 - 10 - 1610/2.1=1 QD2 LEU 30 - QD2 LEU 85 lone 7 81 - 9 - QD2 LEU 23 - QD2 LEU 87 poor 7 66 - 11 - 1610/2.1=1 QD1 LEU 76 - QD2 LEU 87 lone 5 90 - 6 - 3.1/6174=1 QD1 LEU 76 - QD2 LEU 85 lone 5 98 - 5 - QB ALA 75 - QD2 LEU 87 lone 2 71 - 3 - QB ALA 75 - QD2 LEU 85 lone 1 81 - 2 - Peak 3612 from cnoeabs.peaks (0.84, 0.84, 23.25 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 85 + QD2 LEU 85 OK 100 100 - 100 QD2 LEU 87 + QD2 LEU 87 OK 91 91 - 100 Peak 3613 from cnoeabs.peaks (8.25, 4.29, 51.91 ppm; 3.53 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 86 + HA ALA 86 OK 100 100 - 100 - 3.0=100 H ASP 88 - HA ALA 86 OK 29 100 - 29 - 4.6/412=17, 3616/2.1=5...(4) H GLU 77 - HA ALA 86 lone 4 95 - 4 - 1015/3.6=2 H VAL 66 - HA ALA 86 lone 3 96 - 3 - 1015/3.6=1 H GLU 22 - HA ALA 86 lone 3 89 - 3 - Peak 3614 from cnoeabs.peaks (4.29, 4.29, 51.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 86 + HA ALA 86 OK 100 100 - 100 Peak 3615 from cnoeabs.peaks (1.34, 4.29, 51.91 ppm; 3.12 A): 1 out of 9 assignments used, quality = 1.00: * QB ALA 86 + HA ALA 86 OK 100 100 - 100 - 2.1=100 QB ALA 89 - HA ALA 86 OK 15 92 - 16 - 3617=5, 920/3.0=3...(7) HB VAL 50 - HA ALA 86 lone 2 90 - 3 - 413/3.6=1 HB2 LYS 64 - HA ALA 86 lone 2 81 - 3 - HG3 LYS 91 - HA ALA 86 lone 2 97 - 2 - HG2 LYS 91 - HA ALA 86 lone 2 97 - 2 - HG2 LYS 68 - HA ALA 86 lone 1 65 - 2 - HG3 ARG 45 - HA ALA 86 lone 1 76 - 1 - HG2 LYS 44 - HA ALA 86 lone 1 60 - 1 - Peak 3616 from cnoeabs.peaks (8.25, 1.34, 18.84 ppm; 3.19 A): 1 out of 10 assignments used, quality = 1.00: * H ALA 86 + QB ALA 86 OK 100 100 - 100 - 2.9=100 H ASP 88 - QB ALA 86 OK 24 100 - 24 - 4.6/413=10, 3613/2.1=6...(6) H ALA 86 - QB ALA 89 OK 15 84 - 19 - 920=5, 3.0/3615=3...(6) H ASP 88 - QB ALA 89 OK 14 84 - 16 - ~422=8, 415/2.1=2...(5) H GLU 77 - QB ALA 86 lone 4 95 - 4 - 1015/3.7=2 H VAL 66 - QB ALA 86 lone 3 96 - 3 - H GLU 22 - QB ALA 89 lone 3 68 - 4 - 960/3.6=2 H GLU 22 - QB ALA 86 lone 3 89 - 3 - H VAL 66 - QB ALA 89 lone 2 76 - 2 - H GLU 77 - QB ALA 89 lone 1 75 - 1 - Peak 3617 from cnoeabs.peaks (4.29, 1.34, 18.84 ppm; 3.06 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 86 + QB ALA 86 OK 100 100 - 100 - 2.1=100 HA ALA 86 - QB ALA 89 OK 13 84 - 16 - 3615=6, 3.0/920=3...(6) HA VAL 52 - QB ALA 86 lone 3 83 - 4 - 412/3.7=2 HA3 GLY 39 - QB ALA 89 lone 3 63 - 5 - HA3 GLY 39 - QB ALA 86 lone 1 83 - 2 - HA MET 11 - QB ALA 89 lone 1 48 - 2 - HA VAL 52 - QB ALA 89 lone 1 63 - 1 - HA MET 11 - QB ALA 86 lone 1 65 - 1 - Peak 3618 from cnoeabs.peaks (1.34, 1.34, 18.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QB ALA 86 + QB ALA 86 OK 100 100 - 100 QB ALA 89 + QB ALA 89 OK 72 72 - 100 Peak 3619 from cnoeabs.peaks (8.19, 4.24, 54.99 ppm; 4.12 A): 2 out of 16 assignments used, quality = 1.00: * H LEU 87 + HA LEU 87 OK 100 100 - 100 - 2.9=100 H LEU 87 + HA LEU 85 OK 58 82 - 72 - 1014/3.6=20, 922=9...(27) H LEU 79 - HA LEU 87 OK 41 100 - 41 - 370=8, 4.4/3308=4...(14) H LEU 87 - HA LEU 30 OK 39 86 - 45 - 6205/4.0=6, 924/3.7=5...(19) H LEU 79 - HA LEU 85 OK 23 82 - 28 - 370=6, 1014/3.6=4...(10) H LEU 87 - HA ASP 53 OK 21 86 - 24 - 922=3, 412/4.8=2, ~744=2...(9) H LEU 79 - HA ASP 53 OK 19 86 - 22 - 4.8/5843=6, 370=3...(7) H LYS 56 - HA LEU 87 OK 19 97 - 19 - 3633/3.0=2, 414/3.6=2...(8) H LEU 79 - HA LEU 30 OK 18 86 - 20 - 373/3.0=4, 896/4.0=4...(6) H LYS 56 - HA ASP 53 OK 16 80 - 20 - 4.6/5150=8, 988/3.6=4...(4) H LYS 56 - HA LEU 85 poor 10 75 - 13 - 1014/3.6=2, 3633/3.0=1 HE21 GLN 58 - HA LEU 87 lone 7 78 - 9 - H LYS 56 - HA LEU 30 lone 6 80 - 8 - 4.6/5150=2, 6205/4.0=1 HE21 GLN 58 - HA LEU 85 poor 6 57 - 11 - ~398=1, 1014/3.6=1...(4) HE21 GLN 58 - HA ASP 53 lone 4 61 - 6 - ~5291=2, ~5293=2 HE21 GLN 58 - HA LEU 30 lone 1 61 - 2 - Peak 3620 from cnoeabs.peaks (4.24, 4.24, 54.99 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA LEU 87 + HA LEU 87 OK 100 100 - 100 HA ASP 53 + HA ASP 53 OK 85 85 - 100 HA LEU 30 + HA LEU 30 OK 69 69 - 100 HA LEU 85 + HA LEU 85 OK 68 68 - 100 Peak 3621 from cnoeabs.peaks (1.60, 4.24, 54.99 ppm; 3.00 A): 7 out of 48 assignments used, quality = 1.00: * HB2 LEU 87 + HA LEU 87 OK 100 100 - 100 - 3.0=100 HB3 LEU 85 + HA LEU 85 OK 78 78 - 99 - 3.0=99 HG LEU 87 + HA LEU 87 OK 69 97 - 72 - 3.7=55, 2.1/3655=7...(17) HG LEU 85 + HA LEU 85 OK 58 80 - 72 - 3.7=55, 2.1/3607=7...(18) HB3 LEU 85 + HA LEU 87 OK 56 99 - 57 - 3627=6, 923/2.9=5...(28) HG LEU 85 + HA LEU 87 OK 50 99 - 51 - 2.1/3607=5, 925/2.9=4...(31) HB2 LEU 87 + HA LEU 85 OK 46 82 - 57 - 3586=6, 3585/2.9=5...(28) HG LEU 87 - HA LEU 85 OK 39 75 - 52 - 2.1/3607=5, 915/2.9=4...(33) HB2 LEU 87 - HA LEU 30 OK 29 86 - 33 - 3627=3, 1.8/3634=3...(17) HG LEU 87 - HA LEU 30 OK 20 80 - 25 - 2.1/3655=2, 6079/4.0=2...(13) HG LEU 23 - HA LEU 30 OK 14 79 - 18 - 6079/4.0=2, ~1618=2...(11) HG LEU 73 - HA LEU 30 OK 12 65 - 19 - 6079/4.0=2, ~1888=2...(10) HB3 LEU 85 - HA LEU 30 OK 11 83 - 13 - 3627=1 HG LEU 85 - HA LEU 30 OK 10 84 - 12 - 6079/4.0=1 HB2 LEU 87 - HA ASP 53 poor 10 86 - 11 - 3627=1, 1.8/3634=1 HG LEU 73 - HA LEU 87 poor 10 83 - 12 - HG LEU 23 - HA LEU 87 lone 9 96 - 9 - HG LEU 23 - HA LEU 85 lone 7 74 - 9 - HB3 LEU 85 - HA ASP 53 lone 6 83 - 7 - HG LEU 73 - HA LEU 85 lone 6 61 - 9 - HG LEU 87 - HA ASP 53 lone 5 80 - 7 - ~5133=1 HG LEU 85 - HA ASP 53 lone 4 85 - 4 - HB2 LYS 68 - HA LEU 87 lone 3 100 - 3 - HB2 LYS 68 - HA LEU 85 lone 3 81 - 4 - HD3 LYS 65 - HA LEU 87 lone 3 87 - 3 - HD2 LYS 65 - HA LEU 87 lone 3 81 - 3 - HG LEU 23 - HA ASP 53 lone 3 79 - 3 - HB2 LEU 12 - HA LEU 87 lone 2 100 - 2 - HD3 LYS 65 - HA LEU 85 lone 2 65 - 3 - HG LEU 73 - HA ASP 53 lone 2 65 - 3 - HD2 LYS 65 - HA LEU 85 lone 2 59 - 3 - HB2 LEU 12 - HA LEU 85 lone 2 82 - 2 - HB2 LYS 68 - HA LEU 30 lone 2 85 - 2 - HD3 LYS 65 - HA ASP 53 lone 1 69 - 2 - HD2 LYS 65 - HA ASP 53 lone 1 63 - 2 - HD2 LYS 14 - HA LEU 87 lone 1 92 - 1 - HD3 LYS 14 - HA LEU 87 lone 1 90 - 1 - HB2 LEU 12 - HA ASP 53 lone 1 86 - 1 - HB2 LEU 12 - HA LEU 30 lone 1 86 - 1 - HD2 LYS 14 - HA LEU 85 lone 1 70 - 1 - HD3 LYS 14 - HA LEU 85 lone 1 68 - 1 - HD2 LYS 14 - HA ASP 53 lone 1 74 - 1 - HD3 LYS 14 - HA ASP 53 lone 1 73 - 1 - HB2 LYS 68 - HA ASP 53 lone 1 86 - 1 - HD2 LYS 14 - HA LEU 30 lone 0 74 - 1 - HD3 LYS 65 - HA LEU 30 lone 0 69 - 1 - HD3 LYS 14 - HA LEU 30 lone 0 73 - 1 - HD2 LYS 65 - HA LEU 30 lone 0 63 - 1 - Peak 3622 from cnoeabs.peaks (1.53, 4.24, 54.99 ppm; 2.85 A): 3 out of 52 assignments used, quality = 0.98: * HB3 LEU 87 + HA LEU 87 OK 91 100 - 91 - 3.0=85, 924/2.9=7...(12) HG LEU 30 + HA LEU 30 OK 58 83 - 71 - 3.7=47, 2.1/1912=13...(16) HB2 LEU 85 + HA LEU 85 OK 57 63 - 91 - 3.0=85, 4.3/405=6...(12) HB2 LEU 85 - HA LEU 87 OK 44 85 - 52 - 924/2.9=4, 3634=4...(25) HB3 LEU 87 - HA LEU 85 OK 43 82 - 53 - 3634=4, 1.8/3586=4...(26) HG LEU 30 - HA LEU 87 OK 38 99 - 39 - 2.1/1912=6, 924/2.9=3...(18) HB3 LEU 87 - HA LEU 30 OK 27 86 - 32 - 636/2.9=3, 1887/3.0=3...(13) HG LEU 30 - HA ASP 53 OK 23 83 - 27 - 2.1/1912=5, ~5133=3...(11) HG3 ARG 27 - HA LEU 30 OK 16 76 - 22 - 6076/3.0=3, 1793/3.0=2...(9) HB3 LYS 26 - HA LEU 30 OK 13 76 - 17 - 1695/3.0=2, 1692/4.0=2...(6) QB ALA 71 - HA LEU 30 OK 13 79 - 16 - 3152/2.9=4, 5660/3.0=2...(10) HB3 LEU 87 - HA ASP 53 poor 9 86 - 10 - 3634=1 HB3 LYS 26 - HA LEU 87 lone 9 93 - 9 - 1695/4.1=1, 1694/4.1=1 HG LEU 30 - HA LEU 85 poor 8 78 - 11 - 2.1/6033=1 HD2 LYS 56 - HA LEU 87 lone 8 100 - 8 - 924/2.9=1 HB2 LEU 85 - HA LEU 30 poor 8 67 - 11 - HG3 ARG 27 - HA ASP 53 lone 7 76 - 10 - 4536/2.9=2, ~4534=2...(4) QB ALA 71 - HA ASP 53 lone 6 79 - 7 - 5624/2.9=2, 5652/3.0=1, ~5656=1 HB3 LYS 26 - HA LEU 85 lone 6 71 - 8 - 1695/4.0=1 HG3 ARG 27 - HA LEU 87 lone 4 93 - 4 - HB2 LEU 85 - HA ASP 53 lone 4 67 - 6 - QB ALA 71 - HA LEU 87 lone 4 96 - 4 - HD2 LYS 56 - HA ASP 53 lone 4 86 - 5 - HD2 LYS 56 - HA LEU 30 lone 4 86 - 4 - HB3 LYS 44 - HA LEU 30 lone 3 82 - 3 - 129/3.6=1 HB3 LYS 26 - HA ASP 53 lone 3 76 - 4 - HD2 LYS 56 - HA LEU 85 lone 3 82 - 3 - HD3 LYS 64 - HA LEU 85 lone 3 78 - 3 - QB ALA 71 - HA LEU 85 lone 2 74 - 3 - HB3 LYS 44 - HA LEU 87 lone 2 98 - 2 - HD3 LYS 64 - HA LEU 87 lone 2 99 - 2 - HG LEU 34 - HA ASP 53 lone 2 71 - 3 - 2089/3.6=1 HG3 ARG 27 - HA LEU 85 lone 2 71 - 2 - HG LEU 34 - HA LEU 30 lone 2 71 - 2 - HG LEU 34 - HA LEU 85 lone 2 67 - 2 - HD3 LYS 64 - HA LEU 30 lone 1 83 - 2 - HG LEU 34 - HA LEU 87 lone 1 89 - 2 - HD2 LYS 17 - HA LEU 87 lone 1 76 - 2 - HD3 LYS 17 - HA LEU 87 lone 1 76 - 2 - HB2 ARG 45 - HA LEU 30 lone 1 59 - 2 - 6180/3.6=1 HB3 LYS 44 - HA ASP 53 lone 1 82 - 1 - HD3 LYS 17 - HA LEU 85 lone 1 55 - 2 - HD2 LYS 17 - HA LEU 85 lone 1 55 - 2 - HD3 LYS 17 - HA LEU 30 lone 1 59 - 1 - HD2 LYS 17 - HA LEU 30 lone 1 59 - 1 - HD3 LYS 17 - HA ASP 53 lone 1 59 - 1 - HD2 LYS 17 - HA ASP 53 lone 1 59 - 1 - HB2 ARG 45 - HA LEU 85 lone 1 55 - 1 - HB2 ARG 45 - HA LEU 87 lone 1 76 - 1 - HD3 LYS 64 - HA ASP 53 lone 1 83 - 1 - HB3 LYS 44 - HA LEU 85 lone 1 77 - 1 - HB2 ARG 45 - HA ASP 53 lone 0 59 - 1 - Peak 3623 from cnoeabs.peaks (1.61, 4.24, 54.99 ppm; 3.00 A): 6 out of 52 assignments used, quality = 1.00: HB2 LEU 87 + HA LEU 87 OK 97 97 - 100 - 3.0=100 * HG LEU 87 + HA LEU 87 OK 72 100 - 72 - 3.7=55, 2.1/3655=7...(17) HB3 LEU 85 + HA LEU 85 OK 62 63 - 99 - 3.0=99 HG LEU 85 + HA LEU 85 OK 58 80 - 72 - 3.7=55, 2.1/3607=7...(18) HG LEU 85 + HA LEU 87 OK 50 100 - 51 - 2.1/3607=5, 925/2.9=5...(31) HB3 LEU 85 + HA LEU 87 OK 48 85 - 57 - 3627=5, 923/2.9=5...(28) HG LEU 87 - HA LEU 85 OK 42 82 - 52 - 2.1/3607=5, 915/2.9=4...(33) HB2 LEU 87 - HA LEU 85 OK 42 75 - 56 - 3627=5, 915/2.9=4...(28) HB2 LEU 87 - HA LEU 30 OK 27 80 - 33 - 6079/4.0=3, 3627=3...(17) HG LEU 87 - HA LEU 30 OK 22 86 - 26 - 6079/4.0=3, 2.1/3655=2...(13) HG LEU 73 - HA LEU 30 OK 16 82 - 20 - 6079/4.0=3, ~1888=2...(11) HG LEU 23 - HA LEU 30 OK 16 86 - 18 - 6079/4.0=2, ~1618=2...(12) HG LEU 73 - HA LEU 87 OK 12 98 - 12 - HG LEU 85 - HA LEU 30 OK 10 85 - 12 - 6079/4.0=1 HG LEU 23 - HA LEU 87 lone 10 100 - 10 - HB2 LEU 87 - HA ASP 53 poor 9 80 - 11 - 3627=1, 1.8/3634=1 HB3 LEU 85 - HA LEU 30 poor 9 67 - 13 - 3627=1, 6079/4.0=1 HG LEU 23 - HA LEU 85 lone 8 82 - 9 - HG LEU 73 - HA LEU 85 lone 7 77 - 9 - HG LEU 87 - HA ASP 53 lone 6 86 - 7 - ~5133=1 HB3 LEU 85 - HA ASP 53 lone 4 67 - 6 - HG LEU 85 - HA ASP 53 lone 4 85 - 4 - HB2 LYS 68 - HA LEU 87 lone 3 99 - 3 - HG LEU 23 - HA ASP 53 lone 3 86 - 3 - HB2 LYS 68 - HA LEU 85 lone 3 79 - 4 - HG LEU 73 - HA ASP 53 lone 3 82 - 3 - HB2 LEU 12 - HA LEU 87 lone 2 97 - 2 - HD3 LYS 65 - HA LEU 87 lone 2 60 - 3 - HB2 LYS 68 - HA LEU 30 lone 2 84 - 2 - HB2 LEU 12 - HA LEU 85 lone 2 75 - 2 - HD3 LYS 65 - HA LEU 85 lone 1 42 - 3 - HD3 LYS 65 - HA ASP 53 lone 1 46 - 2 - HB2 LEU 12 - HA ASP 53 lone 1 80 - 1 - HB2 LEU 12 - HA LEU 30 lone 1 80 - 1 - HD2 LYS 14 - HA LEU 87 lone 1 68 - 1 - HD3 LYS 14 - HA LEU 87 lone 1 65 - 1 - HB2 LYS 68 - HA ASP 53 lone 1 84 - 1 - HD3 LYS 91 - HA LEU 30 lone 1 50 - 1 - HD2 LYS 14 - HA ASP 53 lone 1 52 - 1 - HD2 LYS 14 - HA LEU 85 lone 1 49 - 1 - HD3 LYS 14 - HA ASP 53 lone 1 50 - 1 - HD2 LYS 91 - HA LEU 30 lone 1 48 - 1 - HD3 LYS 14 - HA LEU 85 lone 1 47 - 1 - HD3 LYS 91 - HA LEU 87 lone 1 65 - 1 - HD2 LYS 91 - HA LEU 87 lone 0 63 - 1 - HD2 LYS 14 - HA LEU 30 lone 0 52 - 0 - HD3 LYS 14 - HA LEU 30 lone 0 50 - 0 - HD3 LYS 91 - HA ASP 53 lone 0 50 - 0 - HD2 LYS 91 - HA ASP 53 lone 0 48 - 0 - HD3 LYS 65 - HA LEU 30 lone 0 46 - 1 - HD3 LYS 91 - HA LEU 85 lone 0 47 - 0 - HD2 LYS 91 - HA LEU 85 lone 0 44 - 0 - Peak 3624 from cnoeabs.peaks (0.89, 4.24, 54.99 ppm; 2.94 A): 4 out of 32 assignments used, quality = 0.98: HB3 LEU 30 + HA LEU 30 OK 83 85 - 97 - 3.0=95, 3.1/1912=10...(17) * QD1 LEU 87 + HA LEU 87 OK 62 100 - 62 - 4.1=37, 2.1/3655=6...(21) QD1 LEU 85 + HA LEU 85 OK 52 81 - 64 - 4.0=41, 2.1/3607=7...(23) QD1 LEU 85 + HA LEU 87 OK 46 100 - 46 - 2.1/3607=5, 3648=3...(27) HB3 LEU 30 - HA LEU 87 OK 41 100 - 41 - 3.1/1912=5, 1891=4...(17) QD1 LEU 87 - HA LEU 85 OK 39 82 - 48 - 2.1/3607=5, 3600=4...(28) QD2 LEU 30 - HA LEU 30 OK 37 57 - 65 - 4.0=39, 3896/3.6=9...(16) QD2 LEU 30 - HA LEU 87 OK 28 73 - 38 - 1912=7, 2.1/1905=3...(16) HB3 LEU 30 - HA ASP 53 OK 27 85 - 32 - 3.1/1912=4, 1891=4...(16) QD1 LEU 87 - HA LEU 30 OK 24 86 - 28 - 1886/3.0=3, 2.1/3655=2...(13) HD3 LYS 26 - HA LEU 30 OK 18 85 - 21 - 1886/3.0=3, 1732/4.0=2...(9) QD2 LEU 30 - HA ASP 53 OK 17 57 - 30 - 1912=7, 2.1/1905=3...(13) QD2 LEU 23 - HA LEU 30 OK 14 65 - 21 - 1886/3.0=3, 1907/4.0=2...(10) HD3 LYS 26 - HA LEU 87 OK 13 100 - 13 - 1734/4.1=1, 1731/3.0=1 QD1 LEU 85 - HA LEU 30 OK 11 86 - 13 - 1886/3.0=1, 1900/3.7=1 QD2 LEU 23 - HA LEU 87 poor 9 83 - 11 - 1610/3.0=1, 1610/3.7=1 HD3 LYS 26 - HA LEU 85 poor 9 80 - 11 - 1734/4.0=1, 1731/3.0=1 HB3 LEU 30 - HA LEU 85 poor 9 80 - 11 - 3.1/6033=1 QD1 LEU 87 - HA ASP 53 lone 6 86 - 7 - ~5133=1 QD2 LEU 23 - HA LEU 85 lone 6 61 - 10 - 1610/3.0=1, 4478/3.0=1 QD2 LEU 30 - HA LEU 85 poor 5 53 - 10 - 2.1/6033=1 QD1 LEU 76 - HA LEU 87 lone 5 96 - 5 - 4080/3.6=2 QD1 LEU 76 - HA LEU 30 lone 5 79 - 6 - QD1 LEU 85 - HA ASP 53 lone 4 86 - 5 - HD3 LYS 26 - HA ASP 53 lone 4 85 - 4 - QD1 LEU 76 - HA LEU 85 lone 4 74 - 5 - 4080/3.6=1 QB ALA 75 - HA LEU 30 lone 3 57 - 6 - 6109/4580=1 QB ALA 75 - HA LEU 87 lone 3 73 - 4 - ~5746=1 QB ALA 75 - HA ASP 53 lone 3 57 - 5 - 5133/2.9=1 QD2 LEU 23 - HA ASP 53 lone 2 65 - 4 - 4480/5003=1 QD1 LEU 76 - HA ASP 53 lone 2 79 - 2 - QB ALA 75 - HA LEU 85 lone 1 53 - 3 - Peak 3625 from cnoeabs.peaks (0.84, 4.24, 54.99 ppm; 2.85 A): 5 out of 36 assignments used, quality = 0.95: * QD2 LEU 87 + HA LEU 87 OK 56 100 - 56 - 4.1=34, 4.8/415=4...(18) QD2 LEU 85 + HA LEU 85 OK 48 79 - 60 - 4.0=37, 3606/2.9=5...(19) QD2 LEU 85 + HA LEU 87 OK 44 99 - 45 - 3607=7, 3.1/3627=3...(22) QD2 LEU 87 + HA LEU 85 OK 39 82 - 48 - 3607=8, 3606/2.9=4...(24) QD2 LEU 30 + HA LEU 30 OK 33 55 - 60 - 4.0=36, 3896/3.6=8...(15) QD2 LEU 30 - HA LEU 87 OK 25 71 - 36 - 1912=7, 2.1/1905=3...(14) QD2 LEU 87 - HA LEU 30 OK 21 86 - 25 - 3655=3, 3.1/3634=2...(8) QD2 LEU 30 - HA ASP 53 OK 17 55 - 30 - 1912=6, 5133/2.9=6...(12) HD2 LYS 26 - HA LEU 30 OK 16 84 - 19 - 1725/3.0=3, 1722/4.0=2...(5) QD2 LEU 73 - HA LEU 30 OK 14 85 - 17 - 3199/3.0=2, 3201/4.0=2...(6) QD2 LEU 73 - HA LEU 87 OK 12 100 - 12 - 3200/3.0=2, 3200/3.7=2 HD2 LYS 26 - HA LEU 87 OK 12 99 - 12 - 1725/4.1=1, 1721/3.0=1 QD2 LEU 85 - HA LEU 30 poor 9 84 - 10 - 3655=1 HD2 LYS 26 - HA LEU 85 poor 9 80 - 11 - 1725/4.0=1, 1721/3.0=1 QD2 LEU 73 - HA LEU 85 lone 8 81 - 10 - 3200/3.7=1, 3200/3.0=1...(5) QD2 LEU 87 - HA ASP 53 lone 7 86 - 7 - 5133/2.9=2, 3655=1 QD2 LEU 30 - HA LEU 85 lone 4 51 - 8 - 2.1/6033=1 QD2 LEU 85 - HA ASP 53 lone 4 84 - 5 - 5133/2.9=1 HD2 LYS 26 - HA ASP 53 lone 4 85 - 4 - 5133/2.9=1 QB ALA 75 - HA ASP 53 lone 3 55 - 6 - 5133/2.9=2 QB ALA 75 - HA LEU 87 lone 3 71 - 4 - ~5746=1 QB ALA 75 - HA LEU 30 lone 3 55 - 5 - 6109/4580=1 QG2 ILE 35 - HA LEU 85 lone 3 61 - 4 - 917/2.9=1 QG2 VAL 47 - HA LEU 85 lone 3 81 - 3 - QD2 LEU 73 - HA ASP 53 lone 3 86 - 3 - QG2 ILE 35 - HA LEU 87 lone 2 83 - 3 - QG2 VAL 47 - HA LEU 87 lone 2 100 - 2 - QG1 VAL 47 - HA LEU 85 lone 2 57 - 3 - QG1 VAL 47 - HA LEU 87 lone 1 78 - 2 - QG2 VAL 47 - HA ASP 53 lone 1 86 - 1 - QB ALA 75 - HA LEU 85 lone 1 51 - 1 - QG2 VAL 47 - HA LEU 30 lone 1 86 - 1 - QG1 VAL 47 - HA ASP 53 lone 0 61 - 1 - QG2 ILE 35 - HA LEU 30 lone 0 65 - 1 - QG2 ILE 35 - HA ASP 53 lone 0 65 - 0 - QG1 VAL 47 - HA LEU 30 lone 0 61 - 0 - Peak 3626 from cnoeabs.peaks (8.19, 1.60, 42.16 ppm; 3.90 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 3.9=100 H LEU 87 + HB3 LEU 85 OK 69 98 - 70 - 1014/4.3=15, 923=10...(32) H LEU 79 - HB2 LEU 87 OK 21 100 - 21 - 370/3.0=5, 3633/1.8=3...(7) H LEU 79 - HB3 LEU 85 OK 17 98 - 18 - 1014/4.3=3, 370/3.0=3...(7) H LYS 56 - HB2 LEU 87 OK 11 97 - 12 - 3633/1.8=3, 414/4.2=2...(6) H LYS 56 - HB3 LEU 85 lone 9 93 - 9 - 1014/4.3=2, 3633/1.8=2 HE21 GLN 58 - HB3 LEU 85 lone 7 74 - 10 - 3633/1.8=1, 5306/3.1=1 HE21 GLN 58 - HB2 LEU 87 lone 5 78 - 6 - Peak 3627 from cnoeabs.peaks (4.24, 1.60, 42.16 ppm; 3.28 A): 4 out of 16 assignments used, quality = 1.00: * HA LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 3.0=100 HA LEU 85 + HB3 LEU 85 OK 86 86 - 100 - 3.0=100 HA LEU 87 + HB3 LEU 85 OK 63 98 - 64 - 2.9/923=6, 405/4.3=5...(34) HA LEU 85 + HB2 LEU 87 OK 57 90 - 64 - 2.9/3585=6, 3634/1.8=5...(33) HA LEU 30 - HB2 LEU 87 OK 34 87 - 39 - 4.0/6079=3, 3634/1.8=3...(20) HA LYS 78 - HB2 LEU 87 OK 15 95 - 16 - 4087/3.9=3, 3.6/3626=2...(7) HA ASP 53 - HB2 LEU 87 OK 13 99 - 13 - 3634/1.8=1, 922/3.9=1 HA LEU 30 - HB3 LEU 85 OK 13 83 - 15 - 4.0/6079=1, 3.0/3631=1 HA LYS 78 - HB3 LEU 85 OK 11 91 - 13 - 5813=1, 912/4.0=1...(5) HA ALA 89 - HB2 LEU 87 OK 10 98 - 11 - 3.0/6026=2, 415/4.2=1...(4) HA ALA 89 - HB3 LEU 85 lone 8 95 - 9 - 3.0/6026=2, 405/4.3=1 HA ASP 53 - HB3 LEU 85 lone 7 97 - 8 - HA VAL 52 - HB2 LEU 87 lone 5 63 - 8 - 6130/3.0=2 HA VAL 52 - HB3 LEU 85 lone 3 59 - 5 - HA3 GLY 39 - HB2 LEU 87 lone 1 63 - 2 - HA3 GLY 39 - HB3 LEU 85 lone 1 59 - 2 - Peak 3628 from cnoeabs.peaks (1.60, 1.60, 42.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 87 + HB2 LEU 87 OK 100 100 - 100 HB3 LEU 85 + HB3 LEU 85 OK 96 96 - 100 Peak 3629 from cnoeabs.peaks (1.53, 1.60, 42.16 ppm; 2.40 A): 2 out of 26 assignments used, quality = 1.00: * HB3 LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 1.8=100 HB2 LEU 85 + HB3 LEU 85 OK 81 81 - 100 - 1.8=100 HB3 LEU 87 - HB3 LEU 85 OK 41 98 - 42 - 3635=4, 3.9/3626=2...(13) HB2 LEU 85 - HB2 LEU 87 OK 35 85 - 41 - 3581=4, 4.0/3585=2...(14) HG LEU 30 - HB2 LEU 87 OK 28 99 - 29 - 2.1/6079=3, 1898/3.0=2...(13) HG LEU 30 - HB3 LEU 85 OK 10 96 - 11 - HB3 LYS 26 - HB2 LEU 87 poor 9 93 - 10 - HB3 LYS 26 - HB3 LEU 85 lone 9 89 - 10 - HD2 LYS 56 - HB2 LEU 87 lone 3 100 - 3 - HG3 ARG 27 - HB2 LEU 87 lone 3 93 - 3 - HD2 LYS 56 - HB3 LEU 85 lone 3 98 - 3 - QB ALA 71 - HB2 LEU 87 lone 3 96 - 3 - QB ALA 71 - HB3 LEU 85 lone 2 92 - 2 - HG3 ARG 27 - HB3 LEU 85 lone 2 89 - 2 - HD3 LYS 64 - HB3 LEU 85 lone 1 96 - 1 - HB3 LYS 44 - HB2 LEU 87 lone 1 98 - 1 - HG LEU 34 - HB3 LEU 85 lone 1 84 - 1 - HD3 LYS 64 - HB2 LEU 87 lone 1 99 - 1 - HG LEU 34 - HB2 LEU 87 lone 1 89 - 1 - HD2 LYS 17 - HB3 LEU 85 lone 1 72 - 1 - HD3 LYS 17 - HB3 LEU 85 lone 1 72 - 1 - HD3 LYS 17 - HB2 LEU 87 lone 1 76 - 1 - HD2 LYS 17 - HB2 LEU 87 lone 1 76 - 1 - HB3 LYS 44 - HB3 LEU 85 lone 1 95 - 1 - HB2 ARG 45 - HB3 LEU 85 lone 1 72 - 1 - HB2 ARG 45 - HB2 LEU 87 lone 0 76 - 1 - Peak 3630 from cnoeabs.peaks (1.61, 1.60, 42.16 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HB2 LEU 87 + HB2 LEU 87 OK 97 97 - 100 HB3 LEU 85 + HB3 LEU 85 OK 81 81 - 100 Reference assignment not found: HG LEU 87 - HB2 LEU 87 Peak 3631 from cnoeabs.peaks (0.89, 1.60, 42.16 ppm; 3.33 A): 5 out of 16 assignments used, quality = 1.00: * QD1 LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 3.1=100 QD1 LEU 85 + HB3 LEU 85 OK 98 98 - 100 - 3.1=100 QD1 LEU 87 + HB3 LEU 85 OK 65 98 - 66 - 3602=4, 3583/1.8=4...(41) QD1 LEU 85 + HB2 LEU 87 OK 64 100 - 65 - 3650/1.8=4, 3649=4...(38) HB3 LEU 30 + HB2 LEU 87 OK 54 100 - 54 - 1891/3.0=5, 3.1/6079=4...(27) QD2 LEU 30 - HB2 LEU 87 OK 39 73 - 53 - 2.1/6079=6, 1912/3.0=5...(25) HD3 LYS 26 - HB2 LEU 87 OK 27 100 - 27 - 1734/3.1=3, 3638/1.8=2...(8) HD3 LYS 26 - HB3 LEU 85 OK 26 97 - 26 - 1734/3.1=3, 3583/1.8=2...(8) QD2 LEU 23 - HB2 LEU 87 OK 25 83 - 30 - 1610=3, 2.1/1617=3...(8) HB3 LEU 30 - HB3 LEU 85 OK 24 97 - 24 - 3583/1.8=2, 3.1/6079=2...(4) QD2 LEU 23 - HB3 LEU 85 OK 22 78 - 28 - 1610=3, 2.1/1617=2...(7) QD2 LEU 30 - HB3 LEU 85 OK 15 69 - 22 - 2.1/6079=2, 2.1/3629=1...(6) QD1 LEU 76 - HB2 LEU 87 poor 10 96 - 10 - 4080/4.2=2 QD1 LEU 76 - HB3 LEU 85 lone 8 92 - 9 - 4080/4.3=2 QB ALA 75 - HB3 LEU 85 lone 3 69 - 4 - QB ALA 75 - HB2 LEU 87 lone 3 73 - 4 - Peak 3632 from cnoeabs.peaks (0.84, 1.60, 42.16 ppm; 3.55 A): 4 out of 18 assignments used, quality = 1.00: * QD2 LEU 87 + HB2 LEU 87 OK 100 100 - 100 - 3.1=100 QD2 LEU 85 + HB3 LEU 85 OK 96 96 - 100 - 3.1=100 QD2 LEU 87 + HB3 LEU 85 OK 70 98 - 71 - 3607/3.0=6, 3584/1.8=5...(50) QD2 LEU 85 + HB2 LEU 87 OK 69 99 - 70 - 3607/3.0=5, 3657/1.8=5...(52) QD2 LEU 30 - HB2 LEU 87 OK 42 71 - 59 - 2.1/6079=6, 1912/3.0=5...(30) QD2 LEU 73 - HB2 LEU 87 OK 37 100 - 38 - 3200=3, 3200/3.0=3...(16) QD2 LEU 73 - HB3 LEU 85 OK 31 97 - 32 - 3200/3.0=3, 3584/1.8=2...(11) HD2 LYS 26 - HB2 LEU 87 OK 31 99 - 31 - 1725/3.1=3, 1721/1.8=2...(10) HD2 LYS 26 - HB3 LEU 85 OK 29 97 - 29 - 1725/3.1=3, 1721/1.8=2...(11) QD2 LEU 30 - HB3 LEU 85 OK 16 67 - 24 - 2.1/6079=2, 2.1/3629=1...(7) QG2 VAL 47 - HB3 LEU 85 lone 6 98 - 6 - QG2 ILE 35 - HB3 LEU 85 lone 6 78 - 7 - 917/4.0=2 QG1 VAL 47 - HB3 LEU 85 lone 4 74 - 6 - QG2 VAL 47 - HB2 LEU 87 lone 4 100 - 4 - QG2 ILE 35 - HB2 LEU 87 lone 4 83 - 4 - QB ALA 75 - HB2 LEU 87 lone 3 71 - 5 - QG1 VAL 47 - HB2 LEU 87 lone 3 78 - 4 - QB ALA 75 - HB3 LEU 85 lone 2 67 - 3 - Peak 3633 from cnoeabs.peaks (8.19, 1.53, 42.16 ppm; 4.04 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 3.9=100 H LEU 87 + HB2 LEU 85 OK 59 84 - 71 - 1014/4.3=16, 3626/1.8=11...(31) H LEU 79 - HB3 LEU 87 OK 22 100 - 23 - 370/3.0=5, 3626/1.8=3...(7) H LYS 56 - HB3 LEU 87 OK 17 97 - 17 - 764=2, 3626/1.8=2...(8) H LEU 79 - HB2 LEU 85 OK 15 84 - 18 - 1014/4.3=4, 370/3.0=4...(6) H LYS 56 - HB2 LEU 85 OK 10 77 - 13 - 1014/4.3=2, 3626/1.8=1, 764=1 HE21 GLN 58 - HB2 LEU 85 poor 8 59 - 13 - 3626/1.8=1, 1.7/5308=1...(4) HE21 GLN 58 - HB3 LEU 87 lone 6 78 - 8 - Peak 3634 from cnoeabs.peaks (4.24, 1.53, 42.16 ppm; 3.39 A): 4 out of 16 assignments used, quality = 1.00: * HA LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 3.0=100 HA LEU 85 + HB2 LEU 85 OK 70 70 - 100 - 3.0=100 HA LEU 85 + HB3 LEU 87 OK 61 90 - 68 - 2.9/913=5, 3627/1.8=5...(39) HA LEU 87 + HB2 LEU 85 OK 56 84 - 68 - 405/4.3=6, 2.9/924=6...(40) HA LEU 30 - HB3 LEU 87 OK 38 87 - 44 - 3.0/1887=4, 2.9/636=4...(21) HA LYS 78 - HB3 LEU 87 OK 17 95 - 18 - 4087/3.9=4, 3.6/3633=2...(7) HA ASP 53 - HB3 LEU 87 OK 15 99 - 15 - 922/3.9=1, 3627/1.8=1, ~5133=1 HA ALA 89 - HB3 LEU 87 OK 12 98 - 12 - ~6026=2, 415/4.2=1...(4) HA LEU 30 - HB2 LEU 85 OK 11 67 - 16 - 3.0/1894=1, 3.0/1887=1 HA LYS 78 - HB2 LEU 85 OK 10 75 - 14 - 5813/1.8=3, 912/4.0=1...(4) HA ASP 53 - HB2 LEU 85 lone 7 82 - 9 - HA ALA 89 - HB2 LEU 85 lone 7 80 - 9 - ~6026=3, 405/4.3=1 HA VAL 52 - HB3 LEU 87 poor 6 63 - 10 - 6130/3.0=2 HA VAL 52 - HB2 LEU 85 lone 3 46 - 7 - HA3 GLY 39 - HB3 LEU 87 lone 1 63 - 2 - HA3 GLY 39 - HB2 LEU 85 lone 1 46 - 2 - Peak 3635 from cnoeabs.peaks (1.60, 1.53, 42.16 ppm; 2.40 A): 4 out of 24 assignments used, quality = 1.00: * HB2 LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 1.8=100 HB3 LEU 85 + HB2 LEU 85 OK 81 81 - 100 - 1.8=100 HG LEU 87 + HB3 LEU 87 OK 61 97 - 63 - 3.0=52, 925/3.9=2...(12) HG LEU 85 + HB2 LEU 85 OK 52 82 - 64 - 3.0=53, 3.7/3573=2...(13) HB3 LEU 85 - HB3 LEU 87 OK 42 99 - 43 - 3629=6, 3626/3.9=2...(13) HG LEU 85 - HB3 LEU 87 OK 38 99 - 38 - 3643=5, 3.0/3629=2...(11) HB2 LEU 87 - HB2 LEU 85 OK 34 84 - 41 - 3629=5, 3585/4.0=2...(13) HG LEU 87 - HB2 LEU 85 OK 29 77 - 38 - 3643=4, 2.1/3657=2...(13) HG LEU 73 - HB3 LEU 87 poor 9 83 - 11 - 3643=1 HG LEU 23 - HB3 LEU 87 lone 9 96 - 9 - 3643=1 HG LEU 23 - HB2 LEU 85 lone 6 76 - 8 - HG LEU 73 - HB2 LEU 85 lone 6 63 - 9 - HB2 LYS 68 - HB3 LEU 87 lone 3 100 - 3 - HB2 LYS 68 - HB2 LEU 85 lone 2 83 - 3 - HD3 LYS 65 - HB3 LEU 87 lone 2 87 - 2 - HD2 LYS 65 - HB3 LEU 87 lone 1 81 - 2 - HD3 LYS 65 - HB2 LEU 85 lone 1 67 - 2 - HB2 LEU 12 - HB3 LEU 87 lone 1 100 - 1 - HD2 LYS 65 - HB2 LEU 85 lone 1 61 - 2 - HB2 LEU 12 - HB2 LEU 85 lone 1 84 - 1 - HD2 LYS 14 - HB3 LEU 87 lone 1 92 - 1 - HD3 LYS 14 - HB3 LEU 87 lone 1 90 - 1 - HD2 LYS 14 - HB2 LEU 85 lone 1 72 - 1 - HD3 LYS 14 - HB2 LEU 85 lone 1 70 - 1 - Peak 3636 from cnoeabs.peaks (1.53, 1.53, 42.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 87 + HB3 LEU 87 OK 100 100 - 100 HB2 LEU 85 + HB2 LEU 85 OK 65 65 - 100 Peak 3637 from cnoeabs.peaks (1.61, 1.53, 42.16 ppm; 2.40 A): 4 out of 26 assignments used, quality = 1.00: HB2 LEU 87 + HB3 LEU 87 OK 97 97 - 100 - 1.8=100 HB3 LEU 85 + HB2 LEU 85 OK 65 65 - 100 - 1.8=100 * HG LEU 87 + HB3 LEU 87 OK 63 100 - 63 - 3.0=52, 925/3.9=2...(12) HG LEU 85 + HB2 LEU 85 OK 53 83 - 64 - 3.0=53, 3.7/3573=2...(13) HG LEU 85 - HB3 LEU 87 OK 38 100 - 38 - 3643=5, 3.0/3629=2...(11) HB3 LEU 85 - HB3 LEU 87 OK 36 85 - 42 - 3629=6, 3626/3.9=2...(13) HG LEU 87 - HB2 LEU 85 OK 31 84 - 38 - 3643=4, 2.1/3657=2...(13) HB2 LEU 87 - HB2 LEU 85 OK 31 77 - 41 - 3629=5, 3.9/924=2...(13) HG LEU 73 - HB3 LEU 87 OK 11 98 - 12 - 3643=1 HG LEU 23 - HB3 LEU 87 lone 9 100 - 9 - 3643=1 HG LEU 73 - HB2 LEU 85 lone 7 80 - 9 - HG LEU 23 - HB2 LEU 85 lone 7 84 - 8 - HB2 LYS 68 - HB3 LEU 87 lone 3 99 - 3 - HB2 LYS 68 - HB2 LEU 85 lone 2 81 - 3 - HB2 LEU 12 - HB3 LEU 87 lone 1 97 - 1 - HB2 LEU 12 - HB2 LEU 85 lone 1 77 - 1 - HD3 LYS 65 - HB3 LEU 87 lone 1 60 - 2 - HD3 LYS 65 - HB2 LEU 85 lone 1 44 - 2 - HD2 LYS 14 - HB3 LEU 87 lone 1 68 - 1 - HD3 LYS 14 - HB3 LEU 87 lone 1 65 - 1 - HD2 LYS 14 - HB2 LEU 85 lone 0 50 - 1 - HD3 LYS 14 - HB2 LEU 85 lone 0 48 - 1 - HD3 LYS 91 - HB3 LEU 87 lone 0 65 - 0 - HD2 LYS 91 - HB3 LEU 87 lone 0 63 - 0 - HD3 LYS 91 - HB2 LEU 85 lone 0 48 - 0 - HD2 LYS 91 - HB2 LEU 85 lone 0 46 - 0 - Peak 3638 from cnoeabs.peaks (0.89, 1.53, 42.16 ppm; 3.28 A): 5 out of 16 assignments used, quality = 1.00: * QD1 LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 3.1=100 QD1 LEU 85 + HB2 LEU 85 OK 83 83 - 100 - 3.1=100 QD1 LEU 85 + HB3 LEU 87 OK 63 100 - 64 - 3650=6, 2.1/3657=4...(38) HB3 LEU 30 + HB3 LEU 87 OK 56 100 - 57 - 1.8/1887=5, 1891/3.0=5...(24) QD1 LEU 87 + HB2 LEU 85 OK 54 84 - 64 - 3650=5, 3590/1.8=4...(39) QD2 LEU 30 - HB3 LEU 87 OK 41 73 - 56 - 1915=6, 2.1/1908=6...(28) HD3 LYS 26 - HB3 LEU 87 OK 28 100 - 28 - 1734/3.1=3, 1.8/3639=2...(9) HD3 LYS 26 - HB2 LEU 85 OK 22 83 - 27 - 1734/3.1=3, 1.8/1721=2...(9) HB3 LEU 30 - HB2 LEU 85 OK 21 83 - 25 - 1894=1, 1.8/1887=1...(5) QD2 LEU 23 - HB3 LEU 87 OK 19 83 - 22 - 1610/1.8=3, 1610/3.0=2...(4) QD2 LEU 23 - HB2 LEU 85 OK 14 63 - 21 - 1610/1.8=2, 1610/3.0=2, ~1617=1 QD2 LEU 30 - HB2 LEU 85 OK 13 55 - 23 - 2.1/1908=2, 1915=2...(7) QD1 LEU 76 - HB3 LEU 87 OK 10 96 - 10 - 4080/4.2=2, 2.1/6185=1 QD1 LEU 76 - HB2 LEU 85 lone 7 76 - 9 - 4080/4.3=2 QB ALA 75 - HB3 LEU 87 lone 4 73 - 5 - QB ALA 75 - HB2 LEU 85 lone 3 55 - 5 - Peak 3639 from cnoeabs.peaks (0.84, 1.53, 42.16 ppm; 3.56 A): 4 out of 18 assignments used, quality = 1.00: * QD2 LEU 87 + HB3 LEU 87 OK 100 100 - 100 - 3.1=100 QD2 LEU 85 + HB2 LEU 85 OK 81 81 - 100 - 3.1=100 QD2 LEU 85 + HB3 LEU 87 OK 70 99 - 71 - 3657=6, 3607/3.0=5...(51) QD2 LEU 87 + HB2 LEU 85 OK 59 84 - 71 - 3607/3.0=6, 3657=6...(49) QD2 LEU 30 - HB3 LEU 87 OK 44 71 - 62 - 2.1/1908=7, 1915=6...(32) HD2 LYS 26 - HB3 LEU 87 OK 32 99 - 33 - 1725/3.1=3, 1721=2...(12) QD2 LEU 73 - HB3 LEU 87 OK 31 100 - 31 - 3200/1.8=4, 3200/3.0=3...(12) HD2 LYS 26 - HB2 LEU 85 OK 26 82 - 32 - 1725/3.1=3, 1721=2...(12) QD2 LEU 73 - HB2 LEU 85 OK 22 83 - 27 - 3200/3.0=3, 3200/1.8=2...(7) QD2 LEU 30 - HB2 LEU 85 OK 13 53 - 25 - 2.1/1908=2, ~6079=2...(7) QG2 VAL 47 - HB2 LEU 85 lone 6 83 - 7 - QG2 ILE 35 - HB2 LEU 85 lone 5 63 - 8 - 917/4.0=2 QG2 VAL 47 - HB3 LEU 87 lone 5 100 - 5 - QB ALA 75 - HB3 LEU 87 lone 4 71 - 6 - QG1 VAL 47 - HB2 LEU 85 lone 4 59 - 7 - QG2 ILE 35 - HB3 LEU 87 lone 4 83 - 5 - QG1 VAL 47 - HB3 LEU 87 lone 3 78 - 4 - QB ALA 75 - HB2 LEU 85 lone 2 53 - 4 - Peak 3640 from cnoeabs.peaks (8.19, 1.61, 26.77 ppm; 4.04 A): 3 out of 16 assignments used, quality = 0.96: * H LEU 87 + HG LEU 87 OK 80 100 - 80 - 5.2=46, 924/3.0=13...(21) H LEU 87 + HG LEU 85 OK 66 100 - 66 - 925=9, 3626/3.0=9...(33) H LEU 79 + HG LEU 23 OK 40 100 - 40 - 896/2.1=11, 5834/2.1=8...(10) H LEU 79 - HG LEU 87 OK 23 100 - 23 - 370/3.7=4, 5834/2.1=4...(6) H LEU 79 - HG LEU 85 OK 16 100 - 16 - 370/3.7=3, 5834/2.1=3...(5) H LEU 79 - HG LEU 73 OK 14 97 - 15 - 896/2.1=4, ~3383=2, 5855/5.3=1 H LEU 87 - HG LEU 73 OK 13 98 - 14 - 927/2.1=2, 925=2 H LYS 56 - HG LEU 87 OK 12 97 - 12 - 3633/3.0=2, 3654/2.1=2...(6) H LEU 87 - HG LEU 23 OK 11 100 - 11 - 925=1, 926/2.1=1 H LYS 56 - HG LEU 23 lone 9 97 - 9 - 763/3.0=2 H LYS 56 - HG LEU 85 lone 8 96 - 9 - 3633/3.0=1, 3626/3.0=1 HE21 GLN 58 - HG LEU 85 poor 8 77 - 10 - 5306/2.1=1, 5303/3.0=1 H LYS 56 - HG LEU 73 lone 8 92 - 8 - 242/3.0=2, 3.6/6137=1 HE21 GLN 58 - HG LEU 87 lone 5 78 - 6 - HE21 GLN 58 - HG LEU 23 lone 5 78 - 6 - HE21 GLN 58 - HG LEU 73 lone 4 73 - 5 - 5306/2.1=1 Peak 3641 from cnoeabs.peaks (4.24, 1.61, 26.77 ppm; 3.92 A): 4 out of 32 assignments used, quality = 1.00: * HA LEU 87 + HG LEU 87 OK 100 100 - 100 - 3.7=100 HA LEU 85 + HG LEU 85 OK 89 89 - 100 - 3.7=100 HA LEU 87 + HG LEU 85 OK 72 100 - 73 - 2.9/925=7, 3655/2.1=7...(47) HA LEU 85 + HG LEU 87 OK 66 90 - 74 - 3577/2.1=8, 2.9/915=7...(48) HA LEU 30 - HG LEU 87 OK 36 87 - 42 - 4.0/6079=5, 3655/2.1=4...(25) HA LEU 30 - HG LEU 73 OK 27 82 - 33 - 4.0/6079=5, ~1888=3...(18) HA LEU 30 - HG LEU 23 OK 27 87 - 31 - 4.0/6079=4, ~1618=3...(15) HA LYS 78 - HG LEU 23 OK 25 94 - 27 - ~4483=5, 3.6/3640=3...(11) HA LEU 87 - HG LEU 73 OK 20 98 - 21 - ~3200=2, 1881/2.1=1...(13) HA LYS 78 - HG LEU 73 OK 18 90 - 21 - ~6116=3, ~6145=3...(9) HA LEU 30 - HG LEU 85 OK 18 86 - 21 - 4.0/6079=2, 3648/2.1=1...(5) HA LEU 87 - HG LEU 23 OK 17 100 - 17 - ~1610=2, ~1617=1...(5) HA LYS 78 - HG LEU 87 OK 16 95 - 17 - 4087/5.2=4, 3.6/3640=2...(9) HA LEU 85 - HG LEU 23 OK 15 90 - 17 - ~1610=1, ~4478=1, ~1617=1 HA LEU 85 - HG LEU 73 OK 14 85 - 16 - 3577/2.1=2, ~917=2...(7) HA LYS 78 - HG LEU 85 OK 13 93 - 14 - 5813/3.0=4, 912/5.1=1...(7) HA ALA 89 - HG LEU 87 OK 12 98 - 12 - ~6026=3, ~5963=2...(4) HA ASP 53 - HG LEU 87 OK 11 99 - 11 - ~5133=2, 3634/3.0=1...(5) HA ALA 89 - HG LEU 85 lone 9 97 - 9 - ~6026=3, 3.0/6026=1 HA ASP 53 - HG LEU 85 lone 8 99 - 7 - ~5133=1 HA3 GLY 39 - HG LEU 23 poor 7 63 - 11 - ~1606=2, ~1613=2...(6) HA VAL 52 - HG LEU 87 lone 6 63 - 10 - 6130/3.7=2, 3607/2.1=1 HA ASP 53 - HG LEU 23 lone 6 99 - 6 - HA ASP 53 - HG LEU 73 lone 5 96 - 5 - HA ALA 89 - HG LEU 23 lone 4 98 - 4 - 3.6/1599=2 HA VAL 52 - HG LEU 23 lone 4 63 - 6 - HA VAL 52 - HG LEU 85 lone 3 62 - 6 - HA VAL 52 - HG LEU 73 lone 2 58 - 4 - HA ALA 89 - HG LEU 73 lone 2 94 - 2 - HA3 GLY 39 - HG LEU 87 lone 1 63 - 2 - HA3 GLY 39 - HG LEU 85 lone 1 62 - 2 - HA3 GLY 39 - HG LEU 73 lone 1 58 - 2 - Peak 3642 from cnoeabs.peaks (1.60, 1.61, 26.77 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG LEU 85 + HG LEU 85 OK 99 99 - 100 HG LEU 87 + HG LEU 87 OK 97 97 - 100 HG LEU 23 + HG LEU 23 OK 96 96 - 100 HG LEU 73 + HG LEU 73 OK 78 78 - 100 Reference assignment not found: HB2 LEU 87 - HG LEU 87 Peak 3643 from cnoeabs.peaks (1.53, 1.61, 26.77 ppm; 2.40 A): 4 out of 52 assignments used, quality = 0.93: * HB3 LEU 87 + HG LEU 87 OK 63 100 - 63 - 3.0=52, 3.9/925=2...(12) HB2 LEU 85 + HG LEU 85 OK 53 84 - 64 - 3.0=53, 4.0/915=2...(13) HB3 LEU 87 + HG LEU 85 OK 38 100 - 39 - 3637=4, 3629/3.0=2...(11) HB2 LEU 85 + HG LEU 87 OK 32 85 - 38 - 3637=3, 3657/2.1=2...(13) HG LEU 30 - HG LEU 87 OK 22 99 - 22 - 2.1/6079=3, 1900/2.1=2...(8) HG LEU 30 - HG LEU 73 OK 20 95 - 21 - 2.1/6079=3, 1902/2.1=3...(7) HG LEU 30 - HG LEU 23 OK 19 99 - 19 - 2.1/6079=2, 1902/2.1=2...(7) HB3 LEU 87 - HG LEU 73 OK 11 98 - 11 - 3637=1 HG3 ARG 27 - HG LEU 23 OK 11 93 - 11 - 6076/2.1=2, ~4548=2 HB3 LYS 26 - HG LEU 87 poor 10 93 - 11 - 1695/2.1=1 HG LEU 30 - HG LEU 85 lone 9 98 - 9 - 2.1/6079=1, 1900/2.1=1 HG3 ARG 27 - HG LEU 73 poor 9 89 - 10 - ~4548=1, ~4544=1 HB3 LYS 26 - HG LEU 85 lone 9 92 - 10 - HB3 LEU 87 - HG LEU 23 lone 9 100 - 9 - QB ALA 71 - HG LEU 73 lone 8 91 - 9 - 5622/5.3=2, 5659/3.0=2 HB2 LEU 85 - HG LEU 73 lone 7 80 - 9 - HB3 LYS 26 - HG LEU 73 lone 7 89 - 8 - HB2 LEU 85 - HG LEU 23 lone 7 85 - 8 - HB3 LYS 26 - HG LEU 23 lone 6 93 - 6 - 4522/4.3=1 QB ALA 71 - HG LEU 23 lone 5 96 - 5 - 5661/2.1=1 HD2 LYS 17 - HG LEU 23 lone 3 76 - 5 - HD3 LYS 17 - HG LEU 23 lone 3 76 - 5 - HG3 ARG 27 - HG LEU 87 lone 3 93 - 4 - QB ALA 71 - HG LEU 87 lone 3 96 - 3 - HD2 LYS 56 - HG LEU 87 lone 3 100 - 3 - HG3 ARG 27 - HG LEU 85 lone 3 92 - 3 - HD2 LYS 56 - HG LEU 23 lone 2 100 - 2 - QB ALA 71 - HG LEU 85 lone 2 95 - 2 - HD2 LYS 56 - HG LEU 85 lone 2 100 - 2 - HG LEU 34 - HG LEU 85 lone 1 87 - 1 - HB3 LYS 44 - HG LEU 87 lone 1 98 - 1 - HD3 LYS 64 - HG LEU 85 lone 1 98 - 1 - HG LEU 34 - HG LEU 23 lone 1 89 - 1 - HD2 LYS 56 - HG LEU 73 lone 1 98 - 1 - HD3 LYS 64 - HG LEU 87 lone 1 99 - 1 - HG LEU 34 - HG LEU 87 lone 1 89 - 1 - HD3 LYS 17 - HG LEU 85 lone 1 75 - 1 - HD2 LYS 17 - HG LEU 85 lone 1 75 - 1 - HD2 LYS 17 - HG LEU 87 lone 1 76 - 1 - HD3 LYS 17 - HG LEU 87 lone 1 76 - 1 - HB3 LYS 44 - HG LEU 73 lone 1 94 - 1 - HD3 LYS 64 - HG LEU 23 lone 1 99 - 1 - HB3 LYS 44 - HG LEU 23 lone 1 98 - 1 - HB3 LYS 44 - HG LEU 85 lone 1 97 - 1 - HB2 ARG 45 - HG LEU 85 lone 1 75 - 1 - HG LEU 34 - HG LEU 73 lone 1 84 - 1 - HB2 ARG 45 - HG LEU 87 lone 0 76 - 1 - HD3 LYS 64 - HG LEU 73 lone 0 95 - 0 - HB2 ARG 45 - HG LEU 73 lone 0 71 - 1 - HD3 LYS 17 - HG LEU 73 lone 0 71 - 0 - HD2 LYS 17 - HG LEU 73 lone 0 71 - 0 - HB2 ARG 45 - HG LEU 23 lone 0 76 - 0 - Peak 3644 from cnoeabs.peaks (1.61, 1.61, 26.77 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG LEU 87 + HG LEU 87 OK 100 100 - 100 HG LEU 23 + HG LEU 23 OK 100 100 - 100 HG LEU 85 + HG LEU 85 OK 99 99 - 100 HG LEU 73 + HG LEU 73 OK 94 94 - 100 Peak 3645 from cnoeabs.peaks (0.89, 1.61, 26.77 ppm; 3.01 A): 5 out of 32 assignments used, quality = 1.00: * QD1 LEU 87 + HG LEU 87 OK 100 100 - 100 - 2.1=100 QD1 LEU 85 + HG LEU 85 OK 99 99 - 100 - 2.1=100 QD2 LEU 23 + HG LEU 23 OK 83 83 - 100 - 2.1=100 QD1 LEU 87 + HG LEU 85 OK 47 100 - 47 - 3605/2.1=4, 3603=3...(24) QD1 LEU 85 + HG LEU 87 OK 46 100 - 47 - 3605/2.1=4, 3603=3...(27) HB3 LEU 30 - HG LEU 87 OK 39 100 - 40 - 3.1/6079=4, 1891/3.7=3...(16) HB3 LEU 30 - HG LEU 73 OK 33 97 - 34 - 1895/2.1=4, 3.1/6079=4...(15) QD2 LEU 23 - HG LEU 73 OK 32 78 - 41 - 2.1/1617=5, 1610=5...(21) HB3 LEU 30 - HG LEU 23 OK 31 100 - 31 - 1618/2.1=4, 3.1/6079=3...(16) QD2 LEU 30 - HG LEU 87 OK 27 73 - 36 - 2.1/6079=5, 1912/3.7=3...(19) QD1 LEU 76 - HG LEU 23 OK 23 96 - 24 - 3244/4.3=3, ~5773=3...(12) HD3 LYS 26 - HG LEU 87 OK 23 100 - 23 - 1734/2.1=3, ~1725=2...(6) HD3 LYS 26 - HG LEU 85 OK 22 99 - 22 - 1734/2.1=3, ~1725=2...(4) QD2 LEU 30 - HG LEU 23 OK 22 73 - 30 - 2.1/6079=4, 1916/2.1=3...(18) QD1 LEU 87 - HG LEU 73 OK 21 98 - 22 - 3605/2.1=2, ~3200=2...(10) QD2 LEU 30 - HG LEU 73 OK 21 68 - 31 - 2.1/6079=5, 1916/2.1=4...(15) HD3 LYS 26 - HG LEU 73 OK 21 97 - 22 - 1734/2.1=3, 1732/2.1=2...(7) QD2 LEU 23 - HG LEU 87 OK 20 83 - 24 - 1610=3, 2.1/1617=3...(7) HB3 LEU 30 - HG LEU 85 OK 19 99 - 19 - 3.1/6079=2, ~1886=1 QD1 LEU 87 - HG LEU 23 OK 18 100 - 18 - 1618/2.1=2, 1597/3.0=1...(6) QD2 LEU 23 - HG LEU 85 OK 18 81 - 22 - 1610=3, 2.1/1617=3...(7) QD1 LEU 85 - HG LEU 73 OK 18 97 - 19 - 3605/2.1=1, 3603=1...(5) QD1 LEU 85 - HG LEU 23 OK 18 100 - 18 - 1618/2.1=2, 3603=1...(6) HD3 LYS 26 - HG LEU 23 OK 16 100 - 16 - 4525/4.3=3, 1618/2.1=2...(6) QD2 LEU 30 - HG LEU 85 OK 13 72 - 17 - 2.1/6079=2 QD1 LEU 76 - HG LEU 87 lone 9 96 - 10 - 4080/4.9=1, ~6174=1 QD1 LEU 76 - HG LEU 73 poor 9 91 - 10 - ~6174=2, ~6173=1, ~6172=1 QB ALA 75 - HG LEU 73 poor 9 68 - 13 - ~5706=2, ~5750=2...(8) QD1 LEU 76 - HG LEU 85 lone 7 95 - 7 - QB ALA 75 - HG LEU 23 lone 4 73 - 5 - ~5765=1 QB ALA 75 - HG LEU 87 lone 3 73 - 4 - QB ALA 75 - HG LEU 85 lone 2 72 - 3 - Peak 3646 from cnoeabs.peaks (0.84, 1.61, 26.77 ppm; 2.90 A): 3 out of 36 assignments used, quality = 1.00: * QD2 LEU 87 + HG LEU 87 OK 100 100 - 100 - 2.1=100 QD2 LEU 85 + HG LEU 85 OK 98 98 - 100 - 2.1=100 QD2 LEU 73 + HG LEU 73 OK 97 97 - 100 - 2.1=100 QD2 LEU 87 - HG LEU 85 OK 44 100 - 45 - 3605/2.1=3, 3607/3.7=3...(22) QD2 LEU 85 - HG LEU 87 OK 44 99 - 45 - 3605/2.1=3, 3610=3...(21) QD2 LEU 73 - HG LEU 23 OK 43 100 - 43 - 3200=7, 3201/2.1=6...(18) QD2 LEU 73 - HG LEU 87 OK 28 100 - 28 - 3200=5, 2.1/3193=2...(10) QD2 LEU 30 - HG LEU 87 OK 24 71 - 34 - 2.1/6079=4, 1912/3.7=3...(19) QD2 LEU 73 - HG LEU 85 OK 24 99 - 24 - 3200=4, 2.1/3193=2...(9) QD2 LEU 87 - HG LEU 73 OK 22 98 - 22 - 3195/2.1=2, 3174/3.0=2...(7) QD2 LEU 30 - HG LEU 73 OK 21 66 - 32 - 2.1/6079=4, 1916/2.1=3...(14) HD2 LYS 26 - HG LEU 87 OK 21 99 - 21 - 1725/2.1=3, ~1734=2, 1721/3.0=1 HD2 LYS 26 - HG LEU 73 OK 20 96 - 21 - 1722/2.1=2, 3181/3.0=2...(6) QD2 LEU 30 - HG LEU 23 OK 20 71 - 28 - 2.1/6079=4, 1916/2.1=3...(15) HD2 LYS 26 - HG LEU 85 OK 20 99 - 20 - 1725/2.1=3, ~1734=1...(4) QD2 LEU 85 - HG LEU 73 OK 18 96 - 19 - 3195/2.1=2, 3174/3.0=2...(5) QD2 LEU 87 - HG LEU 23 OK 17 100 - 17 - 3658=1, ~1617=1, ~1610=1 QD2 LEU 85 - HG LEU 23 OK 16 99 - 16 - 3610=1, ~1610=1, ~1617=1 QG2 ILE 35 - HG LEU 73 OK 14 78 - 17 - ~6147=2, ~5714=2...(10) HD2 LYS 26 - HG LEU 23 OK 13 99 - 14 - 4524/4.3=2, 1725/2.1=2...(5) QD2 LEU 30 - HG LEU 85 OK 11 70 - 16 - 2.1/6079=2 QB ALA 75 - HG LEU 73 OK 11 66 - 16 - ~5706=2, ~5750=2...(10) QG2 VAL 47 - HG LEU 73 lone 4 97 - 4 - QB ALA 75 - HG LEU 23 lone 4 71 - 5 - ~5765=1 QG2 ILE 35 - HG LEU 85 lone 4 81 - 4 - QG2 VAL 47 - HG LEU 85 lone 3 99 - 3 - QG1 VAL 47 - HG LEU 73 lone 3 73 - 4 - QG1 VAL 47 - HG LEU 85 lone 3 77 - 3 - QB ALA 75 - HG LEU 87 lone 3 71 - 4 - QG2 VAL 47 - HG LEU 87 lone 2 100 - 2 - QG2 ILE 35 - HG LEU 23 lone 2 83 - 3 - QG2 ILE 35 - HG LEU 87 lone 2 83 - 3 - QG1 VAL 47 - HG LEU 87 lone 2 78 - 2 - QB ALA 75 - HG LEU 85 lone 2 70 - 3 - QG2 VAL 47 - HG LEU 23 lone 1 100 - 1 - QG1 VAL 47 - HG LEU 23 lone 1 78 - 1 - Peak 3647 from cnoeabs.peaks (8.19, 0.89, 24.73 ppm; 5.90 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 87 + QD1 LEU 87 OK 100 100 - 100 - 4.7=100 H LEU 87 + QD1 LEU 85 OK 85 100 - 86 - 3626/3.1=14, 3654/2.1=13...(30) H LEU 79 - QD1 LEU 87 OK 44 100 - 44 - 370/4.1=7, 5834=6...(11) H LEU 79 - QD1 LEU 85 OK 34 100 - 34 - 370/4.0=5, 5834=4...(9) H LYS 56 - QD1 LEU 87 OK 24 97 - 24 - 3633/3.1=3, 3654/2.1=3...(8) H LYS 56 - QD1 LEU 85 OK 17 96 - 17 - 3633/3.1=2, 3654/2.1=2...(6) HE21 GLN 58 - QD1 LEU 85 OK 15 78 - 19 - 3654/2.1=2, 5303/3.1=2...(10) HE21 GLN 58 - QD1 LEU 87 OK 10 78 - 13 - 3654/2.1=1, 3633/3.1=1 Peak 3648 from cnoeabs.peaks (4.24, 0.89, 24.73 ppm; 3.92 A): 4 out of 16 assignments used, quality = 1.00: * HA LEU 87 + QD1 LEU 87 OK 96 100 - 96 - 4.1=88, 3655/2.1=10...(22) HA LEU 85 + QD1 LEU 85 OK 89 90 - 99 - 4.0=97, 3577/2.1=10...(23) HA LEU 87 + QD1 LEU 85 OK 69 100 - 70 - 3655/2.1=7, 912/4.7=5...(39) HA LEU 85 + QD1 LEU 87 OK 64 90 - 71 - 3577/2.1=8, 2.9/916=7...(40) HA LEU 30 - QD1 LEU 87 OK 40 87 - 46 - 3.0/1886=5, 3.7/1900=4...(27) HA LEU 30 - QD1 LEU 85 OK 19 86 - 22 - 3.0/1886=2, 3.7/1900=2...(8) HA LYS 78 - QD1 LEU 87 OK 19 95 - 20 - 4087/4.7=4, 3.6/5834=2...(8) HA LYS 78 - QD1 LEU 85 OK 15 94 - 15 - 5813/3.1=4, 3.0/5958=2...(7) HA ASP 53 - QD1 LEU 87 OK 12 99 - 12 - ~5133=2, 922/4.7=1...(5) HA ALA 89 - QD1 LEU 87 OK 12 98 - 12 - ~6026=3, ~5963=2...(5) HA ALA 89 - QD1 LEU 85 lone 8 98 - 8 - ~6026=3 HA ASP 53 - QD1 LEU 85 lone 8 99 - 8 - ~5133=1 HA VAL 52 - QD1 LEU 87 lone 6 63 - 10 - 6130/4.1=2, 3607/2.1=1 HA VAL 52 - QD1 LEU 85 lone 4 62 - 6 - HA3 GLY 39 - QD1 LEU 87 lone 1 63 - 2 - HA3 GLY 39 - QD1 LEU 85 lone 1 62 - 2 - Peak 3649 from cnoeabs.peaks (1.60, 0.89, 24.73 ppm; 3.24 A): 8 out of 24 assignments used, quality = 1.00: * HB2 LEU 87 + QD1 LEU 87 OK 100 100 - 100 - 3.1=100 HG LEU 85 + QD1 LEU 85 OK 99 99 - 100 - 2.1=100 HB3 LEU 85 + QD1 LEU 85 OK 98 98 - 100 - 3.1=100 HG LEU 87 + QD1 LEU 87 OK 97 97 - 100 - 2.1=100 HB3 LEU 85 + QD1 LEU 87 OK 62 99 - 64 - 3590=5, 1.8/3583=4...(37) HB2 LEU 87 + QD1 LEU 85 OK 62 100 - 62 - 3590=5, 1.8/3650=4...(37) HG LEU 85 + QD1 LEU 87 OK 51 99 - 52 - 2.1/3605=4, 3.0/3583=3...(35) HG LEU 87 + QD1 LEU 85 OK 49 96 - 51 - 2.1/3605=4, 3.0/3650=3...(35) HG LEU 23 - QD1 LEU 87 OK 22 96 - 23 - 2.1/1618=3, 3.0/1597=2...(8) HG LEU 23 - QD1 LEU 85 OK 21 95 - 22 - 2.1/1618=2, 3.0/1597=2...(5) HG LEU 73 - QD1 LEU 87 OK 21 83 - 25 - ~3200=2, 2.1/3605=2...(10) HG LEU 73 - QD1 LEU 85 OK 18 82 - 22 - 2.1/3605=2, ~3200=2...(10) HB2 LYS 68 - QD1 LEU 85 lone 5 100 - 5 - HB2 LYS 68 - QD1 LEU 87 lone 5 100 - 5 - HB2 LEU 12 - QD1 LEU 85 lone 3 100 - 3 - HB2 LEU 12 - QD1 LEU 87 lone 3 100 - 3 - HD3 LYS 65 - QD1 LEU 85 lone 3 86 - 3 - HD3 LYS 65 - QD1 LEU 87 lone 3 87 - 3 - HD2 LYS 65 - QD1 LEU 85 lone 2 80 - 3 - HD2 LYS 65 - QD1 LEU 87 lone 2 81 - 3 - HD2 LYS 14 - QD1 LEU 85 lone 2 91 - 2 - HD2 LYS 14 - QD1 LEU 87 lone 2 92 - 2 - HD3 LYS 14 - QD1 LEU 85 lone 2 90 - 2 - HD3 LYS 14 - QD1 LEU 87 lone 2 90 - 2 - Peak 3650 from cnoeabs.peaks (1.53, 0.89, 24.73 ppm; 3.32 A): 5 out of 26 assignments used, quality = 1.00: * HB3 LEU 87 + QD1 LEU 87 OK 100 100 - 100 - 3.1=100 HB2 LEU 85 + QD1 LEU 85 OK 84 84 - 100 - 3.1=100 HB3 LEU 87 + QD1 LEU 85 OK 64 100 - 65 - 3638=6, 3657/2.1=4...(39) HB2 LEU 85 + QD1 LEU 87 OK 55 85 - 65 - 3583=5, 1.8/3590=4...(41) HG LEU 30 + QD1 LEU 87 OK 47 99 - 47 - 1900=7, 2.1/1907=5...(20) HB3 LYS 26 - QD1 LEU 87 OK 29 93 - 31 - 1.8/1685=3, 3.0/1675=3...(14) HB3 LYS 26 - QD1 LEU 85 OK 27 93 - 29 - 1.8/1685=3, 3.0/1675=3...(11) HG LEU 30 - QD1 LEU 85 OK 23 98 - 23 - 1900=3, 2.1/1907=2...(6) HG3 ARG 27 - QD1 LEU 87 OK 10 93 - 11 - 2.9/4545=1, 2.9/4546=1 QB ALA 71 - QD1 LEU 87 lone 9 96 - 9 - 4.2/5673=1, 3.7/5668=1, 5660=1 HG3 ARG 27 - QD1 LEU 85 lone 8 93 - 8 - 2.9/4546=1, 2.9/4545=1 QB ALA 71 - QD1 LEU 85 lone 8 95 - 8 - 4.2/5673=1 HD2 LYS 56 - QD1 LEU 87 lone 7 100 - 7 - 924/4.7=1 HD2 LYS 56 - QD1 LEU 85 lone 5 100 - 5 - HG LEU 34 - QD1 LEU 85 lone 3 88 - 4 - HG LEU 34 - QD1 LEU 87 lone 3 89 - 3 - HD3 LYS 64 - QD1 LEU 85 lone 3 98 - 3 - HB3 LYS 44 - QD1 LEU 87 lone 3 98 - 3 - HD3 LYS 64 - QD1 LEU 87 lone 3 99 - 3 - HD2 LYS 17 - QD1 LEU 85 lone 2 75 - 3 - HD3 LYS 17 - QD1 LEU 85 lone 2 75 - 3 - HD3 LYS 17 - QD1 LEU 87 lone 2 76 - 3 - HD2 LYS 17 - QD1 LEU 87 lone 2 76 - 3 - HB3 LYS 44 - QD1 LEU 85 lone 2 98 - 2 - HB2 ARG 45 - QD1 LEU 85 lone 2 75 - 2 - HB2 ARG 45 - QD1 LEU 87 lone 1 76 - 2 - Peak 3651 from cnoeabs.peaks (1.61, 0.89, 24.73 ppm; 3.24 A): 8 out of 26 assignments used, quality = 1.00: * HG LEU 87 + QD1 LEU 87 OK 100 100 - 100 - 2.1=100 HG LEU 85 + QD1 LEU 85 OK 99 99 - 100 - 2.1=100 HB2 LEU 87 + QD1 LEU 87 OK 97 97 - 100 - 3.1=100 HB3 LEU 85 + QD1 LEU 85 OK 84 84 - 100 - 3.1=100 HB2 LEU 87 + QD1 LEU 85 OK 59 96 - 61 - 3631=5, 1.8/3650=4...(37) HB3 LEU 85 + QD1 LEU 87 OK 53 85 - 63 - 3631=5, 1.8/3583=4...(37) HG LEU 85 + QD1 LEU 87 OK 51 100 - 52 - 2.1/3605=4, 3.0/3583=3...(35) HG LEU 87 + QD1 LEU 85 OK 51 100 - 51 - 2.1/3605=4, 3.0/3650=3...(35) HG LEU 73 - QD1 LEU 87 OK 25 98 - 25 - ~3200=2, 2.1/3605=2...(10) HG LEU 23 - QD1 LEU 87 OK 23 100 - 23 - 2.1/1618=3, 3.0/1597=2...(8) HG LEU 23 - QD1 LEU 85 OK 22 100 - 22 - 2.1/1618=2, 3.0/1597=2...(6) HG LEU 73 - QD1 LEU 85 OK 21 98 - 22 - 2.1/3605=2, ~3200=2...(10) HB2 LYS 68 - QD1 LEU 87 lone 5 99 - 5 - HB2 LYS 68 - QD1 LEU 85 lone 5 99 - 5 - HB2 LEU 12 - QD1 LEU 85 lone 3 96 - 3 - HB2 LEU 12 - QD1 LEU 87 lone 3 97 - 3 - HD3 LYS 65 - QD1 LEU 87 lone 2 60 - 3 - HD3 LYS 65 - QD1 LEU 85 lone 2 60 - 3 - HD2 LYS 14 - QD1 LEU 87 lone 1 68 - 2 - HD2 LYS 14 - QD1 LEU 85 lone 1 68 - 2 - HD3 LYS 14 - QD1 LEU 87 lone 1 65 - 2 - HD3 LYS 14 - QD1 LEU 85 lone 1 65 - 2 - HD3 LYS 91 - QD1 LEU 87 lone 1 65 - 1 - HD2 LYS 91 - QD1 LEU 87 lone 1 63 - 1 - HD3 LYS 91 - QD1 LEU 85 lone 0 65 - 1 - HD2 LYS 91 - QD1 LEU 85 lone 0 62 - 1 - Peak 3652 from cnoeabs.peaks (0.89, 0.89, 24.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 87 + QD1 LEU 87 OK 100 100 - 100 QD1 LEU 85 + QD1 LEU 85 OK 100 100 - 100 Peak 3653 from cnoeabs.peaks (0.84, 0.89, 24.73 ppm; 2.40 A): 2 out of 18 assignments used, quality = 1.00: * QD2 LEU 87 + QD1 LEU 87 OK 100 100 - 100 - 2.1=100 QD2 LEU 85 + QD1 LEU 85 OK 99 99 - 100 - 2.1=100 QD2 LEU 87 - QD1 LEU 85 OK 32 100 - 33 - 3659=4, 3607/4.0=2...(10) QD2 LEU 85 - QD1 LEU 87 OK 32 99 - 33 - 3611=4, 3657/3.1=2...(11) HD2 LYS 26 - QD1 LEU 87 OK 19 99 - 19 - 1725=4, 3.0/1705=1...(4) HD2 LYS 26 - QD1 LEU 85 OK 18 99 - 18 - 1725=4, 3.0/1705=1, 3.0/1715=1 QD2 LEU 30 - QD1 LEU 87 OK 17 71 - 24 - 2.1/1907=3, 2.1/1900=2...(7) QD2 LEU 73 - QD1 LEU 87 OK 14 100 - 14 - 3200/2.1=2, 3200/3.1=1 QD2 LEU 73 - QD1 LEU 85 OK 12 100 - 12 - 3200/2.1=2 QD2 LEU 30 - QD1 LEU 85 lone 7 70 - 10 - 2.1/1907=1, 2.1/1900=1 QB ALA 75 - QD1 LEU 87 lone 3 71 - 4 - QG2 VAL 47 - QD1 LEU 85 lone 2 100 - 2 - QG2 ILE 35 - QD1 LEU 85 lone 2 82 - 3 - QB ALA 75 - QD1 LEU 85 lone 2 70 - 3 - QG2 VAL 47 - QD1 LEU 87 lone 2 100 - 2 - QG1 VAL 47 - QD1 LEU 85 lone 2 78 - 2 - QG2 ILE 35 - QD1 LEU 87 lone 1 83 - 2 - QG1 VAL 47 - QD1 LEU 87 lone 1 78 - 1 - Peak 3654 from cnoeabs.peaks (8.19, 0.84, 23.40 ppm; 4.93 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 87 + QD2 LEU 87 OK 100 100 - 100 - 4.7=100 H LEU 87 + QD2 LEU 85 OK 76 94 - 81 - 927=13, 3626/3.1=12...(33) H LEU 79 - QD2 LEU 87 OK 30 100 - 30 - 370/4.1=6, 5834/2.1=5...(7) H LEU 79 - QD2 LEU 85 OK 21 94 - 22 - 370/4.0=4, 5834/2.1=4...(6) H LYS 56 - QD2 LEU 87 OK 17 97 - 18 - 3633/3.1=3, 414/4.8=2...(6) HE21 GLN 58 - QD2 LEU 85 OK 12 69 - 17 - 5306=2, 5303/3.1=1...(6) H LYS 56 - QD2 LEU 85 OK 11 88 - 13 - 3633/3.1=2, 3626/3.1=2...(4) HE21 GLN 58 - QD2 LEU 87 lone 8 78 - 10 - 3633/3.1=1 Peak 3655 from cnoeabs.peaks (4.24, 0.84, 23.40 ppm; 3.03 A): 4 out of 16 assignments used, quality = 0.95: * HA LEU 87 + QD2 LEU 87 OK 64 100 - 64 - 4.1=41, 415/4.8=5...(19) HA LEU 85 + QD2 LEU 85 OK 55 81 - 68 - 4.0=45, 3573/3.1=5...(21) HA LEU 85 + QD2 LEU 87 OK 47 90 - 52 - 3577=8, 3.6/410=4...(26) HA LEU 87 + QD2 LEU 85 OK 46 94 - 49 - 3577=6, 2.9/927=3...(25) HA LEU 30 - QD2 LEU 87 OK 24 87 - 28 - 3625=3, 3634/3.1=2...(13) HA LYS 78 - QD2 LEU 87 OK 10 95 - 11 - 4087/4.7=2, 3.6/3654=1 HA LEU 30 - QD2 LEU 85 poor 9 77 - 12 - 3625=1 HA ASP 53 - QD2 LEU 87 lone 8 99 - 8 - 2.9/5133=2 HA ALA 89 - QD2 LEU 87 lone 7 98 - 7 - 2.1/5963=2, ~6026=1 HA LYS 78 - QD2 LEU 85 lone 7 85 - 8 - 5813/3.1=2 HA ASP 53 - QD2 LEU 85 lone 5 92 - 5 - 2.9/5133=1 HA VAL 52 - QD2 LEU 87 lone 5 63 - 7 - 3.6/5133=2, 6130/4.1=1 HA ALA 89 - QD2 LEU 85 lone 5 90 - 5 - ~6026=1, 2.1/5963=1 HA VAL 52 - QD2 LEU 85 lone 2 54 - 4 - 3.6/5133=1 HA3 GLY 39 - QD2 LEU 87 lone 1 63 - 1 - HA3 GLY 39 - QD2 LEU 85 lone 1 54 - 1 - Peak 3656 from cnoeabs.peaks (1.60, 0.84, 23.40 ppm; 3.01 A): 7 out of 24 assignments used, quality = 1.00: HG LEU 87 + QD2 LEU 87 OK 97 97 - 100 - 2.1=100 * HB2 LEU 87 + QD2 LEU 87 OK 93 100 - 93 - 3.1=89, 3.0/3655=5...(17) HG LEU 85 + QD2 LEU 85 OK 92 92 - 100 - 2.1=100 HB3 LEU 85 + QD2 LEU 85 OK 86 91 - 95 - 3.1=91, 3.0/3577=6...(17) HB3 LEU 85 + QD2 LEU 87 OK 56 99 - 57 - 3.0/3577=4, 3591=4...(28) HB2 LEU 87 + QD2 LEU 85 OK 52 94 - 56 - 3591=4, 1.8/3657=4...(26) HG LEU 85 + QD2 LEU 87 OK 46 99 - 47 - 2.1/3605=4, 3.7/3577=3...(25) HG LEU 87 - QD2 LEU 85 OK 41 88 - 47 - 2.1/3605=4, 3598=3...(27) HG LEU 73 - QD2 LEU 87 OK 21 83 - 25 - 2.1/3195=3, 3.0/3174=2...(9) HG LEU 23 - QD2 LEU 87 OK 17 96 - 18 - ~1617=1, ~1610=1...(5) HG LEU 73 - QD2 LEU 85 OK 16 73 - 22 - 3.0/3174=2, 3.0/3181=2...(6) HG LEU 23 - QD2 LEU 85 OK 15 87 - 17 - 3598=1, ~1610=1, ~1617=1 HB2 LYS 68 - QD2 LEU 87 lone 8 100 - 8 - 4.0/5959=4 HB2 LYS 68 - QD2 LEU 85 lone 7 93 - 8 - 4.0/5959=3 HB2 LEU 12 - QD2 LEU 87 lone 2 100 - 2 - HD3 LYS 65 - QD2 LEU 87 lone 2 87 - 3 - HB2 LEU 12 - QD2 LEU 85 lone 2 94 - 2 - HD2 LYS 65 - QD2 LEU 87 lone 2 81 - 3 - HD3 LYS 65 - QD2 LEU 85 lone 2 77 - 2 - HD2 LYS 65 - QD2 LEU 85 lone 2 71 - 3 - HD2 LYS 14 - QD2 LEU 87 lone 1 92 - 1 - HD3 LYS 14 - QD2 LEU 87 lone 1 90 - 1 - HD2 LYS 14 - QD2 LEU 85 lone 1 82 - 1 - HD3 LYS 14 - QD2 LEU 85 lone 1 81 - 1 - Peak 3657 from cnoeabs.peaks (1.53, 0.84, 23.40 ppm; 3.27 A): 4 out of 26 assignments used, quality = 1.00: * HB3 LEU 87 + QD2 LEU 87 OK 100 100 - 100 - 3.1=100 HB2 LEU 85 + QD2 LEU 85 OK 75 75 - 100 - 3.1=100 HB3 LEU 87 + QD2 LEU 85 OK 60 94 - 64 - 3639=5, 1.8/3591=4...(40) HB2 LEU 85 + QD2 LEU 87 OK 54 85 - 64 - 3.0/3577=5, 3584=5...(38) HG LEU 30 - QD2 LEU 87 OK 44 99 - 45 - 1900/2.1=4, 1898/4.1=3...(21) HB3 LYS 26 - QD2 LEU 87 OK 28 93 - 30 - 1.8/1684=3, 3.0/1674=3...(14) HB3 LYS 26 - QD2 LEU 85 OK 23 84 - 27 - 1.8/1684=2, 3.0/1674=2...(12) HG LEU 30 - QD2 LEU 85 OK 18 91 - 20 - 1900/2.1=2, ~6079=2...(4) HG3 ARG 27 - QD2 LEU 87 lone 8 93 - 9 - QB ALA 71 - QD2 LEU 87 lone 7 96 - 7 - 5632/5959=1 HD2 LYS 56 - QD2 LEU 87 lone 6 100 - 6 - 924/4.7=1 QB ALA 71 - QD2 LEU 85 lone 6 87 - 7 - 5632/5959=1 HG3 ARG 27 - QD2 LEU 85 lone 5 84 - 6 - HD2 LYS 56 - QD2 LEU 85 lone 4 94 - 5 - HB3 LYS 44 - QD2 LEU 87 lone 3 98 - 3 - HG LEU 34 - QD2 LEU 87 lone 3 89 - 3 - HG LEU 34 - QD2 LEU 85 lone 3 79 - 3 - HD3 LYS 64 - QD2 LEU 87 lone 3 99 - 3 - HD3 LYS 64 - QD2 LEU 85 lone 3 91 - 3 - HD2 LYS 17 - QD2 LEU 87 lone 2 76 - 2 - HD3 LYS 17 - QD2 LEU 87 lone 2 76 - 2 - HD2 LYS 17 - QD2 LEU 85 lone 2 66 - 3 - HD3 LYS 17 - QD2 LEU 85 lone 2 66 - 3 - HB3 LYS 44 - QD2 LEU 85 lone 2 90 - 2 - HB2 ARG 45 - QD2 LEU 85 lone 2 66 - 2 - HB2 ARG 45 - QD2 LEU 87 lone 2 76 - 2 - Peak 3658 from cnoeabs.peaks (1.61, 0.84, 23.40 ppm; 3.01 A): 7 out of 26 assignments used, quality = 1.00: * HG LEU 87 + QD2 LEU 87 OK 100 100 - 100 - 2.1=100 HG LEU 85 + QD2 LEU 85 OK 93 93 - 100 - 2.1=100 HB2 LEU 87 + QD2 LEU 87 OK 90 97 - 93 - 3.1=89, 3.0/3655=5...(17) HB3 LEU 85 + QD2 LEU 85 OK 71 75 - 95 - 3.1=91, 3.0/3577=6...(17) HB2 LEU 87 + QD2 LEU 85 OK 48 88 - 55 - 1.8/3657=4, 3632=4...(26) HB3 LEU 85 + QD2 LEU 87 OK 48 85 - 57 - 3.0/3577=4, 1.8/3584=4...(28) HG LEU 85 + QD2 LEU 87 OK 46 100 - 47 - 2.1/3605=4, 3.7/3577=3...(25) HG LEU 87 - QD2 LEU 85 OK 43 94 - 47 - 2.1/3605=4, 3598=3...(27) HG LEU 73 - QD2 LEU 87 OK 25 98 - 25 - 2.1/3195=3, 3.0/3174=2...(9) HG LEU 73 - QD2 LEU 85 OK 20 90 - 22 - 3.0/3174=2, 3.0/3181=2...(6) HG LEU 23 - QD2 LEU 87 OK 18 100 - 18 - ~1617=1, ~1610=1...(5) HG LEU 23 - QD2 LEU 85 OK 16 94 - 17 - 3598=1, ~1610=1, ~1617=1 HB2 LYS 68 - QD2 LEU 87 lone 8 99 - 8 - 4.0/5959=4 HB2 LYS 68 - QD2 LEU 85 lone 7 91 - 8 - 4.0/5959=3 HB2 LEU 12 - QD2 LEU 87 lone 2 97 - 2 - HB2 LEU 12 - QD2 LEU 85 lone 2 88 - 2 - HD3 LYS 65 - QD2 LEU 87 lone 1 60 - 2 - HD3 LYS 65 - QD2 LEU 85 lone 1 52 - 2 - HD2 LYS 14 - QD2 LEU 87 lone 1 68 - 1 - HD3 LYS 14 - QD2 LEU 87 lone 1 65 - 1 - HD2 LYS 14 - QD2 LEU 85 lone 1 59 - 1 - HD3 LYS 14 - QD2 LEU 85 lone 1 57 - 1 - HD3 LYS 91 - QD2 LEU 87 lone 0 65 - 1 - HD2 LYS 91 - QD2 LEU 87 lone 0 63 - 1 - HD3 LYS 91 - QD2 LEU 85 lone 0 57 - 1 - HD2 LYS 91 - QD2 LEU 85 lone 0 54 - 1 - Peak 3659 from cnoeabs.peaks (0.89, 0.84, 23.40 ppm; 2.40 A): 2 out of 16 assignments used, quality = 1.00: * QD1 LEU 87 + QD2 LEU 87 OK 100 100 - 100 - 2.1=100 QD1 LEU 85 + QD2 LEU 85 OK 93 93 - 100 - 2.1=100 QD1 LEU 85 - QD2 LEU 87 OK 32 100 - 33 - 3605=5, 4.0/3577=2...(10) QD1 LEU 87 - QD2 LEU 85 OK 31 94 - 33 - 3605=5, 3.1/3657=2...(11) HB3 LEU 30 - QD2 LEU 87 OK 23 100 - 23 - 1891/4.1=2, 1894/3.1=2...(8) HD3 LYS 26 - QD2 LEU 87 OK 19 100 - 19 - 1734=4, 3.0/1704=1, 3.0/1714=1 HD3 LYS 26 - QD2 LEU 85 OK 17 93 - 18 - 1734=4, 3.0/1704=1 QD2 LEU 30 - QD2 LEU 87 OK 16 73 - 22 - 1915/3.1=2, 2.1/3657=2...(8) QD2 LEU 23 - QD2 LEU 87 poor 9 83 - 11 - 1610/2.1=1 HB3 LEU 30 - QD2 LEU 85 lone 9 93 - 10 - QD2 LEU 23 - QD2 LEU 85 poor 8 73 - 11 - 1610/2.1=1 QD1 LEU 76 - QD2 LEU 87 lone 6 96 - 6 - 3.1/6174=1 QD2 LEU 30 - QD2 LEU 85 lone 6 64 - 9 - QD1 LEU 76 - QD2 LEU 85 lone 4 87 - 5 - QB ALA 75 - QD2 LEU 87 lone 2 73 - 3 - QB ALA 75 - QD2 LEU 85 lone 1 64 - 2 - Peak 3660 from cnoeabs.peaks (0.84, 0.84, 23.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 87 + QD2 LEU 87 OK 100 100 - 100 QD2 LEU 85 + QD2 LEU 85 OK 91 91 - 100 Peak 3661 from cnoeabs.peaks (8.25, 4.53, 53.81 ppm; 4.00 A): 1 out of 5 assignments used, quality = 1.00: * H ASP 88 + HA ASP 88 OK 100 100 - 100 - 3.0=100 H ALA 86 - HA ASP 88 OK 13 100 - 14 - 421/3.6=4, ~3613=3...(6) H GLU 22 - HA ASP 88 lone 9 89 - 10 - 929=2, ~1548=2...(6) H VAL 66 - HA ASP 88 lone 9 96 - 9 - 929=2, ~2997=2, ~822=1...(6) H GLU 77 - HA ASP 88 lone 5 95 - 5 - ~3257=1 Peak 3662 from cnoeabs.peaks (4.53, 4.53, 53.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 88 + HA ASP 88 OK 100 100 - 100 Peak 3663 from cnoeabs.peaks (2.67, 4.53, 53.81 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 88 + HA ASP 88 OK 100 100 - 100 - 3.0=100 HB2 ASP 82 - HA ASP 88 OK 33 83 - 40 - 3666=10, 1.8/3670=10...(15) HE2 LYS 44 - HA ASP 88 lone 2 81 - 3 - Peak 3664 from cnoeabs.peaks (2.58, 4.53, 53.81 ppm; 3.41 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 88 + HA ASP 88 OK 100 100 - 100 - 3.0=100 HB3 ASP 82 - HA ASP 88 OK 42 98 - 43 - 3670=14, 1.8/3663=9...(15) HB2 PHE 46 - HA ASP 88 lone 4 100 - 3 - HB2 ASP 43 - HA ASP 88 lone 2 99 - 2 - Peak 3665 from cnoeabs.peaks (8.25, 2.67, 40.95 ppm; 4.06 A): 1 out of 10 assignments used, quality = 1.00: * H ASP 88 + HB2 ASP 88 OK 100 100 - 100 - 3.6=100 H ASP 88 - HB2 ASP 82 OK 30 78 - 39 - 930=9, 931/1.8=9...(7) H ALA 86 - HB2 ASP 88 lone 9 100 - 9 - 421/4.4=4, 3661/3.0=3 H VAL 66 - HB2 ASP 88 lone 6 96 - 7 - 3661/3.0=2, 3669/1.8=1, 930=1 H GLU 22 - HB2 ASP 88 lone 6 89 - 7 - 3661/3.0=2, 930=2...(4) H GLU 77 - HB2 ASP 82 lone 6 69 - 9 - 356/4.0=6, 3669/1.8=2 H GLU 77 - HB2 ASP 88 lone 5 95 - 5 - 3661/3.0=1, 3669/1.8=1 H ALA 86 - HB2 ASP 82 lone 2 78 - 2 - H VAL 66 - HB2 ASP 82 lone 1 70 - 2 - H GLU 22 - HB2 ASP 82 lone 1 63 - 2 - Peak 3666 from cnoeabs.peaks (4.53, 2.67, 40.95 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 88 + HB2 ASP 88 OK 100 100 - 100 - 3.0=100 HA ASP 88 - HB2 ASP 82 OK 34 78 - 44 - 3663=12, 3670/1.8=11...(15) HA SER 36 - HB2 ASP 88 lone 1 60 - 2 - HA SER 36 - HB2 ASP 82 lone 1 40 - 1 - Peak 3667 from cnoeabs.peaks (2.67, 2.67, 40.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 88 + HB2 ASP 88 OK 100 100 - 100 HB2 ASP 82 + HB2 ASP 82 OK 58 58 - 100 Peak 3668 from cnoeabs.peaks (2.58, 2.67, 40.95 ppm; 2.40 A): 2 out of 8 assignments used, quality = 1.00: * HB3 ASP 88 + HB2 ASP 88 OK 100 100 - 100 - 1.8=100 HB3 ASP 82 + HB2 ASP 82 OK 74 74 - 100 - 1.8=100 HB3 ASP 82 - HB2 ASP 88 OK 22 98 - 22 - 3671=5, 3670/3.0=3...(13) HB3 ASP 88 - HB2 ASP 82 OK 17 78 - 22 - 3671=4, 3.0/3663=3...(12) HB2 PHE 46 - HB2 ASP 82 lone 4 78 - 5 - HB2 ASP 43 - HB2 ASP 82 lone 3 76 - 4 - HB2 PHE 46 - HB2 ASP 88 lone 2 100 - 2 - HB2 ASP 43 - HB2 ASP 88 lone 1 99 - 1 - Peak 3669 from cnoeabs.peaks (8.25, 2.58, 40.95 ppm; 4.09 A): 1 out of 10 assignments used, quality = 1.00: * H ASP 88 + HB3 ASP 88 OK 100 100 - 100 - 3.6=100 H ASP 88 - HB3 ASP 82 OK 37 94 - 40 - 3.0/3670=10, 931=10...(7) H ALA 86 - HB3 ASP 88 lone 9 100 - 9 - 421/4.4=4, 3661/3.0=3 H GLU 77 - HB3 ASP 82 lone 8 86 - 10 - 356/4.0=6, 3665/1.8=1 H VAL 66 - HB3 ASP 88 lone 7 96 - 7 - 3661/3.0=2, 3665/1.8=2...(4) H GLU 22 - HB3 ASP 88 lone 7 89 - 7 - 3661/3.0=2, 931=2...(4) H GLU 77 - HB3 ASP 88 lone 5 95 - 6 - 3661/3.0=1, 3665/1.8=1 H GLU 22 - HB3 ASP 82 lone 2 80 - 3 - H ALA 86 - HB3 ASP 82 lone 2 94 - 2 - H VAL 66 - HB3 ASP 82 lone 2 87 - 2 - Peak 3670 from cnoeabs.peaks (4.53, 2.58, 40.95 ppm; 3.40 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 88 + HB3 ASP 88 OK 100 100 - 100 - 3.0=100 HA ASP 88 - HB3 ASP 82 OK 40 94 - 43 - 3664=14, 3663/1.8=9...(15) HA SER 36 - HB3 ASP 88 lone 1 60 - 1 - HA SER 36 - HB3 ASP 82 lone 1 52 - 1 - Peak 3671 from cnoeabs.peaks (2.67, 2.58, 40.95 ppm; 2.40 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ASP 88 + HB3 ASP 88 OK 100 100 - 100 - 1.8=100 HB2 ASP 82 + HB3 ASP 82 OK 74 74 - 100 - 1.8=100 HB2 ASP 88 - HB3 ASP 82 OK 21 94 - 22 - 3668=5, 3.0/3670=3...(13) HB2 ASP 82 - HB3 ASP 88 OK 18 83 - 22 - 3505=4, 3663/3.0=3...(12) HE2 LYS 44 - HB3 ASP 88 lone 1 81 - 1 - HE2 LYS 44 - HB3 ASP 82 lone 1 72 - 1 - Peak 3672 from cnoeabs.peaks (2.58, 2.58, 40.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 88 + HB3 ASP 88 OK 100 100 - 100 HB3 ASP 82 + HB3 ASP 82 OK 91 91 - 100 Peak 3673 from cnoeabs.peaks (8.11, 4.25, 52.50 ppm; 4.37 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 89 + HA ALA 89 OK 100 100 - 100 - 3.0=100 H LEU 30 - HA ALA 89 OK 23 100 - 23 - 3676/2.1=4, 425/3.6=3...(11) H ALA 71 - HA ALA 89 lone 6 83 - 8 - 3676/2.1=2, 425/3.6=1 H MET 11 - HA ALA 89 lone 6 99 - 6 - 3676/2.1=1, 425/3.6=1 Peak 3674 from cnoeabs.peaks (4.25, 4.25, 52.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 89 + HA ALA 89 OK 100 100 - 100 Peak 3675 from cnoeabs.peaks (1.35, 4.25, 52.50 ppm; 3.52 A): 1 out of 11 assignments used, quality = 1.00: * QB ALA 89 + HA ALA 89 OK 100 100 - 100 - 2.1=100 QB ALA 86 - HA ALA 89 OK 17 92 - 19 - 3676/3.0=3, 3677=3...(10) HG3 LYS 91 - HA ALA 89 lone 5 100 - 5 - 427/3.6=2 HG2 LYS 91 - HA ALA 89 lone 5 100 - 5 - 427/3.6=2 HG2 LYS 68 - HA ALA 89 lone 4 96 - 4 - 934/3.0=1 HG2 LYS 44 - HA ALA 89 lone 3 93 - 4 - 427/3.6=2 HB3 LEU 12 - HA ALA 89 lone 3 83 - 4 - ~6026=1 HB3 LYS 56 - HA ALA 89 lone 3 78 - 4 - 427/3.6=2 HB2 LYS 64 - HA ALA 89 lone 2 99 - 2 - QB ALA 69 - HA ALA 89 lone 2 60 - 4 - QB ALA 67 - HA ALA 89 lone 2 92 - 3 - Peak 3676 from cnoeabs.peaks (8.11, 1.35, 19.01 ppm; 3.89 A): 1 out of 8 assignments used, quality = 1.00: * H ALA 89 + QB ALA 89 OK 100 100 - 100 - 2.9=100 H ALA 89 - QB ALA 86 OK 19 84 - 23 - 934=5, 421/2.9=4...(9) H LEU 30 - QB ALA 89 OK 14 100 - 14 - 3673/2.1=5, 425/3.6=2...(6) H ALA 71 - QB ALA 89 lone 7 83 - 9 - 3673/2.1=1 H MET 11 - QB ALA 89 lone 4 99 - 4 - 3673/2.1=1 H LEU 30 - QB ALA 86 lone 3 83 - 3 - H MET 11 - QB ALA 86 lone 1 82 - 2 - H ALA 71 - QB ALA 86 lone 1 63 - 2 - Peak 3677 from cnoeabs.peaks (4.25, 1.35, 19.01 ppm; 3.17 A): 1 out of 16 assignments used, quality = 1.00: * HA ALA 89 + QB ALA 89 OK 100 100 - 100 - 2.1=100 HA LEU 87 - QB ALA 86 OK 45 79 - 57 - 2.9/413=15, ~412=11...(18) HA LEU 85 - QB ALA 86 OK 30 81 - 37 - 405/2.9=15, ~404=6...(10) HA ALA 89 - QB ALA 86 OK 13 84 - 16 - 3675=4, 3.0/3676=2...(7) HA LEU 87 - QB ALA 89 OK 12 98 - 12 - 933/2.9=3, 2.9/413=2...(4) HA LEU 30 - QB ALA 89 poor 9 65 - 13 - 933/2.9=2, 2.9/3676=2...(6) HA LEU 85 - QB ALA 89 lone 8 99 - 8 - 3.6/920=2, 933/2.9=2, ~6026=2 HA LYS 78 - QB ALA 86 lone 7 83 - 8 - 4087/3.7=3, 405/2.9=2, ~363=1 HA3 GLY 39 - QB ALA 89 lone 5 85 - 6 - 3.0/4137=1 HA LYS 78 - QB ALA 89 lone 4 100 - 3 - HA LEU 30 - QB ALA 86 lone 2 48 - 5 - 922/3.7=2 HA ASP 53 - QB ALA 89 lone 2 92 - 2 - HA ASP 53 - QB ALA 86 lone 2 72 - 3 - 922/3.7=1 HA VAL 52 - QB ALA 86 lone 2 65 - 2 - HA VAL 52 - QB ALA 89 lone 1 85 - 2 - HA3 GLY 39 - QB ALA 86 lone 1 65 - 2 - Peak 3678 from cnoeabs.peaks (1.35, 1.35, 19.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QB ALA 89 + QB ALA 89 OK 100 100 - 100 QB ALA 86 + QB ALA 86 OK 72 72 - 100 Peak 3679 from cnoeabs.peaks (8.38, 4.67, 53.21 ppm; 5.22 A): 1 out of 6 assignments used, quality = 1.00: * H ASN 90 + HA ASN 90 OK 100 100 - 100 - 3.0=100 H LEU 23 - HA ASN 90 OK 22 99 - 22 - 428/3.6=7, 3691/3.0=4...(6) H GLY 39 - HA ASN 90 lone 9 100 - 9 - 3691/3.0=2, 428/3.6=1 H GLY 40 - HA ASN 90 lone 6 100 - 6 - 3691/3.0=1, 428/3.6=1 H ARG 28 - HA ASN 90 lone 4 68 - 6 - 428/3.6=2 H ALA 72 - HA ASN 90 lone 3 60 - 4 - Peak 3680 from cnoeabs.peaks (4.67, 4.67, 53.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 90 + HA ASN 90 OK 100 100 - 100 Peak 3681 from cnoeabs.peaks (2.83, 4.67, 53.21 ppm; 3.63 A): 1 out of 10 assignments used, quality = 1.00: * HB2 ASN 90 + HA ASN 90 OK 100 100 - 100 - 3.0=100 HE2 LYS 56 - HA ASN 90 OK 25 90 - 27 - 3.6/2640=3, 4.8/2630=3...(11) HE3 LYS 56 - HA ASN 90 OK 23 83 - 27 - 3.6/2640=3, 4.8/2630=3...(11) HB3 PHE 57 - HA ASN 90 OK 11 63 - 17 - 1.8/2706=2, 2.5/4565=2...(5) HB2 ASN 18 - HA ASN 90 lone 6 65 - 8 - 3686=2, 1.8/3686=1 HB3 ASN 24 - HA ASN 90 lone 6 71 - 8 - 3.7/6135=2, 3686=1, 937/3.0=1 HB3 ASN 18 - HA ASN 90 lone 5 63 - 8 - 3686=1, 1.8/3686=1 HE2 LYS 17 - HA ASN 90 lone 3 93 - 3 - HE3 LYS 17 - HA ASN 90 lone 2 73 - 3 - HB3 TYR 32 - HA ASN 90 lone 1 73 - 2 - Peak 3682 from cnoeabs.peaks (2.71, 4.67, 53.21 ppm; 3.83 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ASN 90 + HA ASN 90 OK 100 100 - 100 - 3.0=100 HE3 LYS 44 - HA ASN 90 OK 22 100 - 22 - 938/3.0=4, 4.8/6081=4...(9) HE3 LYS 64 - HA ASN 90 lone 3 65 - 5 - HE2 LYS 64 - HA ASN 90 lone 2 60 - 4 - HB2 ASP 82 - HA ASN 90 lone 1 60 - 2 - Peak 3685 from cnoeabs.peaks (8.38, 2.83, 38.59 ppm; 4.65 A): 1 out of 24 assignments used, quality = 1.00: * H ASN 90 + HB2 ASN 90 OK 100 100 - 100 - 4.0=100 H LEU 23 - HB3 ASN 24 OK 23 50 - 47 - 961/3.7=32, 1036/4.6=16 H LEU 23 - HB2 ASN 90 OK 16 99 - 16 - 428/4.6=4, 3691/1.8=4...(4) H LEU 23 - HB2 ASN 18 OK 12 62 - 20 - 1027/3.5=8, 4473/1.8=4...(4) H LEU 23 - HB3 ASN 18 OK 12 60 - 20 - 1027/3.5=8, 4473/1.8=4...(4) H ASN 90 - HB3 ASN 24 poor 9 52 - 16 - 77/3.7=6, 1036/4.6=3...(5) H ASN 90 - HB2 ASN 18 lone 6 65 - 10 - 937=2, 3.0/3686=1, 937/1.8=1 H ASN 90 - HB3 ASN 18 lone 6 62 - 10 - 937=1, 937/1.8=1, 3.0/3686=1 H GLY 39 - HB2 ASN 90 lone 6 100 - 6 - 3691/1.8=2, 3679/3.0=2 H GLY 39 - HB3 ASN 24 poor 6 52 - 11 - 77/3.7=4, 179/3.0=2, 1036/4.6=2 H GLY 40 - HB2 ASN 90 lone 5 100 - 5 - 3691/1.8=1, 3679/3.0=1 H GLY 40 - HB3 ASN 24 lone 4 52 - 7 - 77/3.7=3, 1036/4.6=2 H ARG 28 - HB2 ASN 90 lone 3 68 - 5 - 428/4.6=1 H GLY 40 - HB2 ASN 18 lone 3 65 - 4 - 693/4.8=1 H GLY 40 - HB3 ASN 18 lone 2 62 - 4 - 693/4.8=1 H ALA 72 - HB2 ASN 90 lone 2 60 - 3 - H ALA 72 - HB3 ASN 24 lone 2 25 - 7 - 5686/4.6=4 H GLY 39 - HB2 ASN 18 lone 1 65 - 2 - H GLY 39 - HB3 ASN 18 lone 1 62 - 2 - H ALA 72 - HB2 ASN 18 lone 1 32 - 4 - ~5696=2 H ALA 72 - HB3 ASN 18 lone 1 30 - 4 - ~5696=2 H ARG 28 - HB3 ASN 24 lone 1 29 - 3 - 107/3.0=1 H ARG 28 - HB2 ASN 18 lone 1 37 - 2 - H ARG 28 - HB3 ASN 18 lone 1 35 - 2 - Peak 3686 from cnoeabs.peaks (4.67, 2.83, 38.59 ppm; 3.70 A): 1 out of 12 assignments used, quality = 1.00: * HA ASN 90 + HB2 ASN 90 OK 100 100 - 100 - 3.0=100 HA LYS 56 - HB2 ASN 90 OK 30 99 - 30 - 3692/1.8=7, 936/4.0=3...(14) HA PHE 57 - HB2 ASN 90 OK 17 89 - 19 - 3692/1.8=4, 936/4.0=2...(6) HA ASN 90 - HB2 ASN 18 lone 6 65 - 9 - 3681=2, 3681/1.8=1 HA ASN 90 - HB3 ASN 18 lone 5 62 - 8 - 3681=2, 3681/1.8=1 HA ASN 90 - HB3 ASN 24 lone 4 52 - 8 - 6135/3.7=2, 3681=2, 3.0/937=1 HA PHE 57 - HB2 ASN 18 lone 4 51 - 8 - 2699/3.9=2, ~1419=2 HA PHE 57 - HB3 ASN 18 lone 4 49 - 8 - 2699/3.9=2, ~1419=2 HA LYS 56 - HB2 ASN 18 lone 4 62 - 6 - 3991/3.9=3, ~4328=1 HA LYS 56 - HB3 ASN 18 lone 3 59 - 6 - 3991/3.9=3, ~4328=1 HA PHE 57 - HB3 ASN 24 lone 1 41 - 2 - HA LYS 56 - HB3 ASN 24 lone 1 50 - 1 - Peak 3687 from cnoeabs.peaks (2.83, 2.83, 38.59 ppm; diagonal): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 90 + HB2 ASN 90 OK 100 100 - 100 HB2 ASN 18 - HB2 ASN 18 OK 35 35 - 100 HB3 ASN 18 - HB3 ASN 18 OK 32 32 - 100 HB3 ASN 24 - HB3 ASN 24 OK 30 30 - 100 Peak 3688 from cnoeabs.peaks (2.71, 2.83, 38.59 ppm; 2.40 A): 1 out of 20 assignments used, quality = 1.00: * HB3 ASN 90 + HB2 ASN 90 OK 100 100 - 100 - 1.8=100 HE3 LYS 44 - HB2 ASN 90 lone 8 100 - 8 - 3682/3.0=2, ~2325=1, 938/4.0=1 HB3 ASN 90 - HB2 ASN 18 lone 2 65 - 3 - 3693=1 HB3 ASN 90 - HB3 ASN 18 lone 2 62 - 3 - HB3 ASN 90 - HB3 ASN 24 lone 1 52 - 2 - HE3 LYS 64 - HB2 ASN 90 lone 1 65 - 1 - HE3 LYS 44 - HB2 ASN 18 lone 1 65 - 1 - HE3 LYS 44 - HB3 ASN 18 lone 1 62 - 1 - HE2 LYS 64 - HB2 ASN 90 lone 1 60 - 1 - HB2 ASP 82 - HB2 ASN 90 lone 0 60 - 0 - HE3 LYS 44 - HB3 ASN 24 lone 0 52 - 0 - HB2 ASP 82 - HB3 ASN 24 lone 0 25 - 0 - HE3 LYS 64 - HB2 ASN 18 lone 0 35 - 0 - HE3 LYS 64 - HB3 ASN 18 lone 0 34 - 0 - HE2 LYS 64 - HB2 ASN 18 lone 0 32 - 0 - HB2 ASP 82 - HB2 ASN 18 lone 0 32 - 0 - HE2 LYS 64 - HB3 ASN 18 lone 0 30 - 0 - HB2 ASP 82 - HB3 ASN 18 lone 0 30 - 0 - HE3 LYS 64 - HB3 ASN 24 lone 0 28 - 0 - HE2 LYS 64 - HB3 ASN 24 lone 0 25 - 0 - Peak 3689 from cnoeabs.peaks (7.63, 2.83, 38.59 ppm; 5.46 A): 1 out of 4 assignments used, quality = 1.00: * HD21 ASN 90 + HB2 ASN 90 OK 100 100 - 100 - 3.5=100 HD21 ASN 90 - HB2 ASN 18 lone 4 65 - 5 - 4.3/3686=1, 3.5/3688=1 HD21 ASN 90 - HB3 ASN 24 lone 3 52 - 6 - 5.2/937=2, 4.3/3681=1 HD21 ASN 90 - HB3 ASN 18 lone 3 62 - 5 - 4.3/3686=1 Peak 3691 from cnoeabs.peaks (8.38, 2.71, 38.59 ppm; 4.73 A): 1 out of 6 assignments used, quality = 1.00: * H ASN 90 + HB3 ASN 90 OK 100 100 - 100 - 4.0=100 H LEU 23 - HB3 ASN 90 OK 15 99 - 15 - 428/4.6=5, 3679/3.0=4...(4) H GLY 39 - HB3 ASN 90 lone 6 100 - 6 - 3679/3.0=2, 3685/1.8=1 H GLY 40 - HB3 ASN 90 lone 5 100 - 5 - 3679/3.0=1 H ARG 28 - HB3 ASN 90 lone 3 68 - 5 - 428/4.6=2 H ALA 72 - HB3 ASN 90 lone 2 60 - 3 - Peak 3692 from cnoeabs.peaks (4.67, 2.71, 38.59 ppm; 3.91 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 90 + HB3 ASN 90 OK 100 100 - 100 - 3.0=100 HA LYS 56 - HB3 ASN 90 OK 31 99 - 31 - 3686/1.8=7, 936/4.0=4...(14) HA PHE 57 - HB3 ASN 90 OK 17 89 - 19 - 3686/1.8=4, 936/4.0=2...(8) Peak 3693 from cnoeabs.peaks (2.83, 2.71, 38.59 ppm; 2.40 A): 1 out of 10 assignments used, quality = 1.00: * HB2 ASN 90 + HB3 ASN 90 OK 100 100 - 100 - 1.8=100 HE2 LYS 56 - HB3 ASN 90 lone 6 90 - 7 - 3681/3.0=2 HE3 LYS 56 - HB3 ASN 90 lone 5 83 - 7 - 3681/3.0=1 HB3 PHE 57 - HB3 ASN 90 lone 3 63 - 5 - 3.0/3692=1 HB2 ASN 18 - HB3 ASN 90 lone 2 65 - 4 - 3688=1 HB3 ASN 18 - HB3 ASN 90 lone 2 63 - 3 - HB3 ASN 24 - HB3 ASN 90 lone 2 71 - 2 - HE2 LYS 17 - HB3 ASN 90 lone 1 93 - 1 - HE3 LYS 17 - HB3 ASN 90 lone 0 73 - 1 - HB3 TYR 32 - HB3 ASN 90 lone 0 73 - 1 - Peak 3694 from cnoeabs.peaks (2.71, 2.71, 38.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 90 + HB3 ASN 90 OK 100 100 - 100 Peak 3695 from cnoeabs.peaks (7.63, 2.71, 38.59 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 90 + HB3 ASN 90 OK 100 100 - 100 - 3.5=100 Peak 3697 from cnoeabs.peaks (7.72, 4.10, 57.53 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 91 + HA LYS 91 OK 100 100 - 100 - 2.9=100 H LYS 91 - HA LYS 14 OK 28 97 - 29 - 942=8, 4.0/3718=5...(11) H ASN 24 - HA LYS 91 poor 8 68 - 12 - 3717/3.0=3, 3707/3.0=2, ~1620=1 H ASN 24 - HA LYS 14 lone 3 63 - 4 - 4488/604=1 Peak 3698 from cnoeabs.peaks (4.10, 4.10, 57.53 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 91 + HA LYS 91 OK 100 100 - 100 HA LYS 14 + HA LYS 14 OK 97 97 - 100 Peak 3699 from cnoeabs.peaks (1.79, 4.10, 57.53 ppm; 4.79 A): 2 out of 34 assignments used, quality = 1.00: * HB2 LYS 91 + HA LYS 91 OK 100 100 - 100 - 3.0=100 HB2 LYS 91 + HA LYS 14 OK 52 97 - 53 - 1.8/3718=11, 3708=10...(21) HB2 LYS 31 - HA LYS 91 OK 38 99 - 39 - 943/2.9=4, 1.8/3700=4...(17) HB2 ARG 28 - HA LYS 91 OK 30 99 - 30 - 3719/3.0=3, 943/2.9=2...(14) HB2 LYS 65 - HA LYS 14 OK 29 96 - 31 - 3.5/1219=4, 3.5/1219=4...(16) HB2 ARG 27 - HA LYS 91 OK 19 89 - 21 - 4.0/97=3, 1.8/3700=2...(7) HB3 ARG 28 - HA LYS 91 OK 19 68 - 28 - 3.0/3700=2, 3.0/3700=2...(12) HG2 GLU 51 - HA LYS 91 OK 19 92 - 21 - 3.0/3700=2, 3719/3.0=2...(12) HG3 GLU 51 - HA LYS 91 OK 19 90 - 21 - 3.0/3700=2, 3719/3.0=2...(12) HD3 LYS 78 - HA LYS 91 OK 18 98 - 19 - 3351/3.0=3, 2.9/3700=2...(9) HB2 LYS 44 - HA LYS 91 OK 14 78 - 17 - 943/2.9=2, 2.9/1217=1...(8) HB2 LYS 44 - HA LYS 14 poor 9 72 - 12 - ~21=2, 2261/4.0=1...(4) HB2 MET 48 - HA LYS 91 lone 8 100 - 8 - HB2 LYS 65 - HA LYS 91 lone 7 100 - 7 - HB2 ARG 27 - HA LYS 14 lone 6 83 - 8 - 4.0/97=4 HB2 MET 48 - HA LYS 14 lone 5 97 - 6 - QB ALA 74 - HA LYS 91 lone 5 89 - 5 - HG3 GLU 37 - HA LYS 91 lone 5 100 - 5 - HB2 LYS 31 - HA LYS 14 lone 5 95 - 5 - HB2 ARG 28 - HA LYS 14 lone 4 95 - 4 - HG3 GLU 37 - HA LYS 14 lone 4 96 - 4 - HG LEU 76 - HA LYS 91 lone 4 92 - 4 - HG LEU 76 - HA LYS 14 lone 3 86 - 4 - HB3 GLU 33 - HA LYS 91 lone 3 78 - 4 - HB2 GLU 37 - HA LYS 91 lone 3 76 - 4 - QB ALA 74 - HA LYS 14 lone 3 83 - 3 - HB3 ARG 28 - HA LYS 14 lone 3 63 - 4 - HB2 GLU 37 - HA LYS 14 lone 2 70 - 4 - HD3 LYS 78 - HA LYS 14 lone 2 93 - 3 - QE MET 11 - HA LYS 91 lone 2 73 - 3 - QE MET 11 - HA LYS 14 lone 2 68 - 3 - 4244/5462=1 HG2 GLU 51 - HA LYS 14 lone 2 86 - 2 - HG3 GLU 51 - HA LYS 14 lone 2 85 - 2 - HB3 GLU 33 - HA LYS 14 lone 2 72 - 2 - Peak 3700 from cnoeabs.peaks (1.69, 4.10, 57.53 ppm; 3.35 A): 1 out of 22 assignments used, quality = 1.00: * HB3 LYS 91 + HA LYS 91 OK 100 100 - 100 - 3.0=100 HB3 LYS 91 - HA LYS 14 OK 25 97 - 26 - 3718=4, 1.8/3708=3...(9) HB3 LYS 31 - HA LYS 91 OK 18 95 - 19 - 3710/3.0=3, 944/2.9=2...(5) HD3 LYS 31 - HA LYS 91 OK 13 93 - 14 - 3710/3.0=2, 944/2.9=1 HG3 ARG 28 - HA LYS 91 OK 13 71 - 18 - 3710/3.0=2, 944/2.9=1...(5) HD2 LYS 31 - HA LYS 91 OK 13 90 - 14 - 3710/3.0=2, 944/2.9=1 HG2 ARG 28 - HA LYS 91 OK 11 65 - 17 - 3710/3.0=2, 3.0/3699=1 HB3 GLU 51 - HA LYS 91 OK 11 100 - 11 - 3710/3.0=1, 944/2.9=1 HB3 ARG 27 - HA LYS 91 OK 10 97 - 10 - 4.0/97=1, 3710/3.0=1, 944/2.9=1 HG2 LYS 78 - HA LYS 91 lone 9 93 - 10 - 3710/3.0=2 HB3 LEU 73 - HA LYS 91 lone 5 90 - 5 - HB2 LEU 30 - HA LYS 91 lone 3 100 - 3 - HB3 ARG 27 - HA LYS 14 lone 3 92 - 3 - 4.0/97=2 HB3 LEU 73 - HA LYS 14 lone 3 85 - 3 - HB3 LYS 31 - HA LYS 14 lone 1 89 - 2 - HB2 LEU 30 - HA LYS 14 lone 1 96 - 2 - HD3 LYS 31 - HA LYS 14 lone 1 88 - 1 - HD2 LYS 31 - HA LYS 14 lone 1 85 - 1 - HG3 ARG 28 - HA LYS 14 lone 1 65 - 2 - HB3 GLU 51 - HA LYS 14 lone 1 96 - 1 - HG2 ARG 28 - HA LYS 14 lone 1 60 - 2 - HG2 LYS 78 - HA LYS 14 lone 1 88 - 1 - Peak 3701 from cnoeabs.peaks (1.35, 4.10, 57.53 ppm; 6.20 A): 4 out of 22 assignments used, quality = 1.00: * HG2 LYS 91 + HA LYS 91 OK 100 100 - 100 - 3.9=100 HG3 LYS 91 + HA LYS 91 OK 100 100 - 100 - 3.9=100 HG2 LYS 91 + HA LYS 14 OK 52 97 - 54 - 3.0/3718=13, 3.0/3708=13...(17) HG3 LYS 91 + HA LYS 14 OK 52 97 - 54 - 3.0/3718=13, 3.0/3708=13...(17) HG2 LYS 44 - HA LYS 91 OK 18 85 - 21 - 3712/3.0=3, 945/2.9=3...(10) HG2 LYS 44 - HA LYS 14 OK 15 79 - 19 - ~1243=3, ~536=3...(7) HG2 LYS 68 - HA LYS 14 OK 14 83 - 17 - 3055/4.9=2, 3055/4.9=2...(5) QB ALA 67 - HA LYS 14 OK 11 77 - 15 - 2.9/5516=7, 5507/5462=3 QB ALA 89 - HA LYS 91 OK 10 100 - 10 - 946/2.9=4, 3722/3.0=1 QB ALA 67 - HA LYS 91 poor 9 83 - 11 - 2.9/5516=3, 3712/3.0=1 HG2 LYS 68 - HA LYS 91 lone 9 89 - 10 - 3712/3.0=1 HB3 LEU 12 - HA LYS 14 poor 9 65 - 14 - 4275/4.0=4, 1175/4.9=1 HB3 LYS 56 - HA LYS 91 poor 9 65 - 14 - ~429=4, 946/2.9=2, ~5215=1 HB2 LYS 64 - HA LYS 91 lone 7 97 - 7 - 3712/3.0=1, 3722/3.0=1 HB VAL 50 - HA LYS 91 lone 7 68 - 10 - ~5019=1, 3722/3.0=1...(5) QB ALA 86 - HA LYS 91 lone 5 97 - 5 - HB2 LYS 64 - HA LYS 14 lone 5 92 - 5 - HB3 LEU 12 - HA LYS 91 lone 4 71 - 6 - QB ALA 89 - HA LYS 14 lone 4 96 - 4 - QB ALA 86 - HA LYS 14 lone 3 93 - 3 - HB VAL 50 - HA LYS 14 lone 3 63 - 5 - HB3 LYS 56 - HA LYS 14 lone 3 60 - 5 - Peak 3702 from cnoeabs.peaks (1.35, 4.10, 57.53 ppm; 6.20 A): 4 out of 22 assignments used, quality = 1.00: HG2 LYS 91 + HA LYS 91 OK 100 100 - 100 - 3.9=100 * HG3 LYS 91 + HA LYS 91 OK 100 100 - 100 - 3.9=100 HG2 LYS 91 + HA LYS 14 OK 52 97 - 54 - 3.0/3718=13, 3.0/3708=13...(17) HG3 LYS 91 + HA LYS 14 OK 52 97 - 54 - 3.0/3718=13, 3.0/3708=13...(17) HG2 LYS 44 - HA LYS 91 OK 18 85 - 21 - 3712/3.0=3, 945/2.9=3...(10) HG2 LYS 44 - HA LYS 14 OK 15 79 - 19 - ~1243=3, ~536=3...(7) HG2 LYS 68 - HA LYS 14 OK 14 83 - 17 - 3055/4.9=2, 3055/4.9=2...(5) QB ALA 67 - HA LYS 14 OK 11 77 - 15 - 2.9/5516=7, 5507/5462=3 QB ALA 89 - HA LYS 91 OK 10 100 - 10 - 946/2.9=4, 3722/3.0=1 QB ALA 67 - HA LYS 91 poor 9 83 - 11 - 2.9/5516=3, 3712/3.0=1 HG2 LYS 68 - HA LYS 91 lone 9 89 - 10 - 3712/3.0=1 HB3 LEU 12 - HA LYS 14 poor 9 65 - 14 - 4275/4.0=4, 1175/4.9=1 HB3 LYS 56 - HA LYS 91 poor 9 65 - 14 - ~429=4, 946/2.9=2, ~5215=1 HB2 LYS 64 - HA LYS 91 lone 7 97 - 7 - 3712/3.0=1, 3722/3.0=1 HB VAL 50 - HA LYS 91 lone 7 68 - 10 - ~5019=1, 3722/3.0=1...(5) QB ALA 86 - HA LYS 91 lone 5 97 - 5 - HB2 LYS 64 - HA LYS 14 lone 5 92 - 5 - HB3 LEU 12 - HA LYS 91 lone 4 71 - 6 - QB ALA 89 - HA LYS 14 lone 4 96 - 4 - QB ALA 86 - HA LYS 14 lone 3 93 - 3 - HB VAL 50 - HA LYS 14 lone 3 63 - 5 - HB3 LYS 56 - HA LYS 14 lone 3 60 - 5 - Peak 3707 from cnoeabs.peaks (7.72, 1.79, 33.33 ppm; 5.94 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 91 + HB2 LYS 91 OK 100 100 - 100 - 4.0=100 H ASN 24 - HB2 LYS 91 OK 18 68 - 26 - 3717/1.8=5, 3697/3.0=3...(10) Peak 3708 from cnoeabs.peaks (4.10, 1.79, 33.33 ppm; 5.48 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 91 + HB2 LYS 91 OK 100 100 - 100 - 3.0=100 HA LYS 14 + HB2 LYS 91 OK 59 100 - 59 - 3718/1.8=13, 3697/4.0=8...(23) HA LYS 26 - HB2 LYS 91 OK 19 100 - 19 - 3718/1.8=4, ~1689=3...(7) HA3 GLY 61 - HB2 LYS 91 poor 7 65 - 10 - 3718/1.8=1, 5380/3.0=1...(4) HB2 SER 62 - HB2 LYS 91 lone 5 90 - 5 - HB THR 83 - HB2 LYS 91 lone 4 78 - 5 - Peak 3709 from cnoeabs.peaks (1.79, 1.79, 33.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 91 + HB2 LYS 91 OK 100 100 - 100 Peak 3710 from cnoeabs.peaks (1.69, 1.79, 33.33 ppm; 2.40 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LYS 91 + HB2 LYS 91 OK 100 100 - 100 - 1.8=100 HB3 LYS 31 - HB2 LYS 91 OK 15 95 - 16 - 1940=2 HD3 LYS 31 - HB2 LYS 91 lone 9 93 - 10 - HG3 ARG 28 - HB2 LYS 91 poor 9 71 - 12 - 1.8/3713=1 HD2 LYS 31 - HB2 LYS 91 lone 9 90 - 10 - HG2 LYS 78 - HB2 LYS 91 lone 8 93 - 8 - HG2 ARG 28 - HB2 LYS 91 poor 8 65 - 12 - HB3 GLU 51 - HB2 LYS 91 lone 8 100 - 8 - HB3 ARG 27 - HB2 LYS 91 lone 7 97 - 7 - HB3 LEU 73 - HB2 LYS 91 lone 3 90 - 3 - HB2 LEU 30 - HB2 LYS 91 lone 2 100 - 2 - Peak 3711 from cnoeabs.peaks (1.35, 1.79, 33.33 ppm; 4.16 A): 2 out of 11 assignments used, quality = 1.00: * HG2 LYS 91 + HB2 LYS 91 OK 100 100 - 100 - 3.0=100 HG3 LYS 91 + HB2 LYS 91 OK 100 100 - 100 - 3.0=100 HG2 LYS 44 - HB2 LYS 91 OK 15 85 - 17 - 3722/1.8=2, 945/4.0=1, 2278=1 HB2 LYS 64 - HB2 LYS 91 lone 6 97 - 6 - QB ALA 89 - HB2 LYS 91 lone 6 100 - 6 - 946/4.0=2 HB VAL 50 - HB2 LYS 91 lone 6 68 - 8 - HG2 LYS 68 - HB2 LYS 91 lone 5 89 - 6 - QB ALA 67 - HB2 LYS 91 lone 5 83 - 6 - HB3 LYS 56 - HB2 LYS 91 lone 4 65 - 7 - QB ALA 86 - HB2 LYS 91 lone 3 97 - 3 - HB3 LEU 12 - HB2 LYS 91 lone 2 71 - 3 - Peak 3712 from cnoeabs.peaks (1.35, 1.79, 33.33 ppm; 4.16 A): 2 out of 11 assignments used, quality = 1.00: HG2 LYS 91 + HB2 LYS 91 OK 100 100 - 100 - 3.0=100 * HG3 LYS 91 + HB2 LYS 91 OK 100 100 - 100 - 3.0=100 HG2 LYS 44 - HB2 LYS 91 OK 15 85 - 17 - 3722/1.8=2, 945/4.0=1, 2278=1 HB2 LYS 64 - HB2 LYS 91 lone 6 97 - 6 - QB ALA 89 - HB2 LYS 91 lone 6 100 - 6 - 946/4.0=2 HB VAL 50 - HB2 LYS 91 lone 6 68 - 8 - HG2 LYS 68 - HB2 LYS 91 lone 5 89 - 6 - QB ALA 67 - HB2 LYS 91 lone 5 83 - 6 - HB3 LYS 56 - HB2 LYS 91 lone 4 65 - 7 - QB ALA 86 - HB2 LYS 91 lone 3 97 - 3 - HB3 LEU 12 - HB2 LYS 91 lone 2 71 - 3 - Peak 3713 from cnoeabs.peaks (1.64, 1.79, 33.33 ppm; 3.50 A): 2 out of 9 assignments used, quality = 0.99: * HD2 LYS 91 + HB2 LYS 91 OK 90 100 - 90 - 3.7=82, 3724/1.8=14...(11) HD3 LYS 91 + HB2 LYS 91 OK 90 100 - 90 - 3.7=82, 3724/1.8=14...(11) HB2 LYS 14 - HB2 LYS 91 OK 35 98 - 35 - 3723/1.8=5, 3.0/3708=4...(16) HB3 LYS 14 - HB2 LYS 91 OK 35 98 - 35 - 3723/1.8=5, 3.0/3708=4...(16) HG2 ARG 28 - HB2 LYS 91 OK 20 76 - 27 - 3723/1.8=3, 1.8/3710=2...(8) HG3 ARG 28 - HB2 LYS 91 OK 19 71 - 27 - 3723/1.8=3, 1.8/3710=2...(8) HG LEU 73 - HB2 LYS 91 lone 5 85 - 5 - HG LEU 23 - HB2 LYS 91 lone 3 65 - 5 - 2.1/4479=1 HG LEU 87 - HB2 LYS 91 lone 1 63 - 1 - Peak 3714 from cnoeabs.peaks (1.64, 1.79, 33.33 ppm; 3.50 A): 2 out of 9 assignments used, quality = 0.99: * HD3 LYS 91 + HB2 LYS 91 OK 90 100 - 90 - 3.7=82, 3724/1.8=14...(11) HD2 LYS 91 + HB2 LYS 91 OK 90 100 - 90 - 3.7=82, 3724/1.8=14...(11) HB2 LYS 14 - HB2 LYS 91 OK 34 97 - 35 - 3723/1.8=5, 3.0/3708=4...(16) HB3 LYS 14 - HB2 LYS 91 OK 34 97 - 35 - 3723/1.8=5, 3.0/3708=4...(16) HG2 ARG 28 - HB2 LYS 91 OK 20 73 - 27 - 3723/1.8=3, 1.8/3710=2...(8) HG3 ARG 28 - HB2 LYS 91 OK 18 68 - 26 - 3723/1.8=3, 1.8/3710=2...(8) HG LEU 73 - HB2 LYS 91 lone 5 87 - 5 - HG LEU 23 - HB2 LYS 91 lone 3 68 - 5 - 2.1/4479=1 HG LEU 87 - HB2 LYS 91 lone 1 65 - 1 - Peak 3717 from cnoeabs.peaks (7.72, 1.69, 33.33 ppm; 4.77 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 91 + HB3 LYS 91 OK 100 100 - 100 - 4.0=100 H ASN 24 - HB3 LYS 91 OK 12 68 - 17 - 3707/1.8=4, 3697/3.0=2...(6) Peak 3718 from cnoeabs.peaks (4.10, 1.69, 33.33 ppm; 5.01 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 91 + HB3 LYS 91 OK 100 100 - 100 - 3.0=100 HA LYS 14 + HB3 LYS 91 OK 51 100 - 52 - 3708/1.8=10, 3697/4.0=7...(21) HA LYS 26 - HB3 LYS 91 OK 16 100 - 16 - 3708/1.8=3, ~1689=2...(7) HA3 GLY 61 - HB3 LYS 91 lone 5 65 - 8 - 5380/3.0=1, 5380/3.0=1...(4) HB2 SER 62 - HB3 LYS 91 lone 4 90 - 4 - HB THR 83 - HB3 LYS 91 lone 3 78 - 4 - Peak 3719 from cnoeabs.peaks (1.79, 1.69, 33.33 ppm; 2.40 A): 1 out of 17 assignments used, quality = 1.00: * HB2 LYS 91 + HB3 LYS 91 OK 100 100 - 100 - 1.8=100 HB2 LYS 31 - HB3 LYS 91 OK 12 99 - 12 - 1935=2, ~3710=1 HB2 ARG 28 - HB3 LYS 91 lone 10 99 - 10 - 3.0/3723=1 HD3 LYS 78 - HB3 LYS 91 lone 8 98 - 8 - 3351=1 HG2 GLU 51 - HB3 LYS 91 lone 7 92 - 7 - HG3 GLU 51 - HB3 LYS 91 lone 7 90 - 7 - HB2 ARG 27 - HB3 LYS 91 lone 6 89 - 7 - HB3 ARG 28 - HB3 LYS 91 lone 6 68 - 9 - 3.0/3723=1 HB2 LYS 44 - HB3 LYS 91 lone 3 78 - 4 - HB2 MET 48 - HB3 LYS 91 lone 2 100 - 2 - HB2 LYS 65 - HB3 LYS 91 lone 1 100 - 1 - QB ALA 74 - HB3 LYS 91 lone 1 89 - 1 - HG LEU 76 - HB3 LYS 91 lone 1 92 - 1 - HG3 GLU 37 - HB3 LYS 91 lone 1 100 - 1 - HB3 GLU 33 - HB3 LYS 91 lone 1 78 - 1 - HB2 GLU 37 - HB3 LYS 91 lone 1 76 - 1 - QE MET 11 - HB3 LYS 91 lone 0 73 - 1 - Peak 3720 from cnoeabs.peaks (1.69, 1.69, 33.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 91 + HB3 LYS 91 OK 100 100 - 100 Peak 3721 from cnoeabs.peaks (1.35, 1.69, 33.33 ppm; 4.31 A): 2 out of 11 assignments used, quality = 1.00: * HG2 LYS 91 + HB3 LYS 91 OK 100 100 - 100 - 3.0=100 HG3 LYS 91 + HB3 LYS 91 OK 100 100 - 100 - 3.0=100 HG2 LYS 44 - HB3 LYS 91 OK 13 85 - 15 - 3711/1.8=2, 945/4.0=1 QB ALA 89 - HB3 LYS 91 lone 6 100 - 6 - 945/4.0=2 HB VAL 50 - HB3 LYS 91 lone 6 68 - 8 - 4.5/735=1, 2.1/5019=1 HB2 LYS 64 - HB3 LYS 91 lone 5 97 - 5 - HG2 LYS 68 - HB3 LYS 91 lone 5 89 - 5 - HB3 LYS 56 - HB3 LYS 91 lone 5 65 - 7 - 946/4.0=1 QB ALA 67 - HB3 LYS 91 lone 4 83 - 5 - QB ALA 86 - HB3 LYS 91 lone 3 97 - 3 - HB3 LEU 12 - HB3 LYS 91 lone 2 71 - 3 - Peak 3722 from cnoeabs.peaks (1.35, 1.69, 33.33 ppm; 4.31 A): 2 out of 11 assignments used, quality = 1.00: HG2 LYS 91 + HB3 LYS 91 OK 100 100 - 100 - 3.0=100 * HG3 LYS 91 + HB3 LYS 91 OK 100 100 - 100 - 3.0=100 HG2 LYS 44 - HB3 LYS 91 OK 13 85 - 15 - 3711/1.8=2, 945/4.0=1 QB ALA 89 - HB3 LYS 91 lone 6 100 - 6 - 945/4.0=2 HB VAL 50 - HB3 LYS 91 lone 6 68 - 8 - 4.5/735=1, 2.1/5019=1 HB2 LYS 64 - HB3 LYS 91 lone 5 97 - 5 - HG2 LYS 68 - HB3 LYS 91 lone 5 89 - 5 - HB3 LYS 56 - HB3 LYS 91 lone 5 65 - 7 - 946/4.0=1 QB ALA 67 - HB3 LYS 91 lone 4 83 - 5 - QB ALA 86 - HB3 LYS 91 lone 3 97 - 3 - HB3 LEU 12 - HB3 LYS 91 lone 2 71 - 3 - Peak 3723 from cnoeabs.peaks (1.64, 1.69, 33.33 ppm; 2.86 A): 6 out of 9 assignments used, quality = 0.93: * HD2 LYS 91 + HB3 LYS 91 OK 62 100 - 62 - 3.7=45, 1.8/3750=9...(11) HD3 LYS 91 + HB3 LYS 91 OK 62 100 - 62 - 3.7=45, 1.8/3750=9...(11) HB2 LYS 14 + HB3 LYS 91 OK 22 98 - 22 - 3713/1.8=3, 3.0/3718=3...(6) HB3 LYS 14 + HB3 LYS 91 OK 22 98 - 22 - 3713/1.8=3, 3.0/3718=3...(6) HG2 ARG 28 + HB3 LYS 91 OK 14 76 - 18 - 3713/1.8=2, 3.0/3719=1, ~3710=1 HG3 ARG 28 + HB3 LYS 91 OK 13 71 - 18 - 3713/1.8=2, 3.0/3719=1...(4) HG LEU 73 - HB3 LYS 91 lone 4 85 - 4 - HG LEU 23 - HB3 LYS 91 lone 2 65 - 3 - HG LEU 87 - HB3 LYS 91 lone 0 63 - 1 - Peak 3724 from cnoeabs.peaks (1.64, 1.69, 33.33 ppm; 2.86 A): 6 out of 9 assignments used, quality = 0.93: * HD3 LYS 91 + HB3 LYS 91 OK 62 100 - 62 - 3.7=45, 1.8/3750=9...(11) HD2 LYS 91 + HB3 LYS 91 OK 62 100 - 62 - 3.7=45, 1.8/3750=9...(11) HB2 LYS 14 + HB3 LYS 91 OK 21 97 - 22 - 3713/1.8=3, 3.0/3718=3...(6) HB3 LYS 14 + HB3 LYS 91 OK 21 97 - 22 - 3713/1.8=3, 3.0/3718=3...(6) HG2 ARG 28 + HB3 LYS 91 OK 13 73 - 18 - 3713/1.8=2, 3.0/3719=1, ~3710=1 HG3 ARG 28 + HB3 LYS 91 OK 12 68 - 18 - 3713/1.8=2, 3.0/3719=1...(4) HG LEU 73 - HB3 LYS 91 lone 4 87 - 4 - HG LEU 23 - HB3 LYS 91 lone 2 68 - 3 - HG LEU 87 - HB3 LYS 91 lone 0 65 - 1 - Peak 3727 from cnoeabs.peaks (7.72, 1.35, 24.40 ppm; 5.70 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 91 + HG2 LYS 91 OK 100 100 - 100 - 4.6=100 H LYS 91 + HG3 LYS 91 OK 100 100 - 100 - 4.6=100 H ASN 24 - HG2 LYS 91 OK 14 68 - 20 - 3707/3.0=5, 3717/3.0=5...(5) H ASN 24 - HG3 LYS 91 OK 14 68 - 20 - 3707/3.0=5, 3717/3.0=5...(5) Peak 3729 from cnoeabs.peaks (1.79, 1.35, 24.40 ppm; 3.55 A): 2 out of 34 assignments used, quality = 1.00: * HB2 LYS 91 + HG2 LYS 91 OK 100 100 - 100 - 3.0=100 HB2 LYS 91 + HG3 LYS 91 OK 100 100 - 100 - 3.0=100 HB2 LYS 31 - HG2 LYS 91 OK 25 99 - 26 - 3719/3.0=3, 1937/3.8=2...(14) HB2 LYS 31 - HG3 LYS 91 OK 25 99 - 26 - 3719/3.0=3, 1937/3.8=2...(14) HB2 ARG 28 - HG3 LYS 91 OK 19 99 - 19 - 3719/3.0=2, 3.0/3740=1 HB2 ARG 28 - HG2 LYS 91 OK 19 99 - 19 - 3719/3.0=2, 3.0/3740=1 HG2 GLU 51 - HG3 LYS 91 OK 15 92 - 16 - 3719/3.0=2, 3.0/3740=1 HG2 GLU 51 - HG2 LYS 91 OK 15 92 - 16 - 3719/3.0=2, 3.0/3740=1 HG3 GLU 51 - HG3 LYS 91 OK 15 90 - 16 - 3719/3.0=1, 3.0/3740=1 HG3 GLU 51 - HG2 LYS 91 OK 15 90 - 16 - 3719/3.0=1, 3.0/3740=1 HB3 ARG 28 - HG2 LYS 91 OK 12 68 - 18 - 3719/3.0=1, ~3719=1, 3.0/3730=1 HB3 ARG 28 - HG3 LYS 91 OK 12 68 - 18 - 3719/3.0=1, ~3719=1, 3.0/3730=1 HB2 MET 48 - HG2 LYS 91 OK 11 100 - 11 - HB2 MET 48 - HG3 LYS 91 OK 11 100 - 11 - HB2 LYS 44 - HG2 LYS 91 OK 11 78 - 14 - 1.8/2270=1 HB2 LYS 44 - HG3 LYS 91 OK 11 78 - 14 - 1.8/2270=1 HD3 LYS 78 - HG2 LYS 91 OK 10 98 - 10 - 3719/3.0=2 HD3 LYS 78 - HG3 LYS 91 OK 10 98 - 10 - 3719/3.0=2 HB2 ARG 27 - HG2 LYS 91 poor 10 89 - 11 - 3719/3.0=1 HB2 ARG 27 - HG3 LYS 91 poor 10 89 - 11 - 3719/3.0=1 HB2 LYS 65 - HG3 LYS 91 lone 3 100 - 3 - HB2 LYS 65 - HG2 LYS 91 lone 3 100 - 3 - QB ALA 74 - HG2 LYS 91 lone 3 89 - 3 - QB ALA 74 - HG3 LYS 91 lone 3 89 - 3 - HG3 GLU 37 - HG2 LYS 91 lone 3 100 - 3 - HG3 GLU 37 - HG3 LYS 91 lone 3 100 - 3 - HG LEU 76 - HG2 LYS 91 lone 2 92 - 2 - HG LEU 76 - HG3 LYS 91 lone 2 92 - 2 - HB3 GLU 33 - HG3 LYS 91 lone 2 78 - 3 - HB3 GLU 33 - HG2 LYS 91 lone 2 78 - 3 - HB2 GLU 37 - HG2 LYS 91 lone 2 76 - 2 - HB2 GLU 37 - HG3 LYS 91 lone 2 76 - 2 - QE MET 11 - HG2 LYS 91 lone 1 73 - 2 - QE MET 11 - HG3 LYS 91 lone 1 73 - 2 - Peak 3730 from cnoeabs.peaks (1.69, 1.35, 24.40 ppm; 3.42 A): 2 out of 22 assignments used, quality = 1.00: * HB3 LYS 91 + HG2 LYS 91 OK 100 100 - 100 - 3.0=100 HB3 LYS 91 + HG3 LYS 91 OK 100 100 - 100 - 3.0=100 HB3 LYS 31 - HG3 LYS 91 OK 23 95 - 24 - 3710/3.0=3, 3760/3.0=2...(11) HB3 LYS 31 - HG2 LYS 91 OK 23 95 - 24 - 3710/3.0=3, 3760/3.0=2...(11) HD3 LYS 31 - HG3 LYS 91 OK 18 93 - 19 - 3760/3.0=2, 3750/3.0=2...(7) HD3 LYS 31 - HG2 LYS 91 OK 18 93 - 19 - 3760/3.0=2, 3750/3.0=2...(7) HG3 ARG 28 - HG3 LYS 91 OK 17 71 - 24 - 3710/3.0=2, ~3723=1...(9) HG3 ARG 28 - HG2 LYS 91 OK 17 71 - 24 - 3710/3.0=2, ~3723=1...(9) HD2 LYS 31 - HG3 LYS 91 OK 17 90 - 19 - 3760/3.0=2, 3750/3.0=2...(7) HD2 LYS 31 - HG2 LYS 91 OK 17 90 - 19 - 3760/3.0=2, 3750/3.0=2...(7) HB3 GLU 51 - HG2 LYS 91 OK 17 100 - 17 - 3710/3.0=2 HB3 GLU 51 - HG3 LYS 91 OK 17 100 - 17 - 3710/3.0=2 HG2 ARG 28 - HG2 LYS 91 OK 15 65 - 23 - 3710/3.0=2, ~3723=1, ~3724=1 HG2 ARG 28 - HG3 LYS 91 OK 15 65 - 23 - 3710/3.0=2, ~3723=1, ~3724=1 HG2 LYS 78 - HG3 LYS 91 OK 10 93 - 11 - 3710/3.0=2 HG2 LYS 78 - HG2 LYS 91 OK 10 93 - 11 - 3710/3.0=2 HB3 ARG 27 - HG2 LYS 91 OK 10 97 - 10 - 3710/3.0=1 HB3 ARG 27 - HG3 LYS 91 OK 10 97 - 10 - 3710/3.0=1 HB3 LEU 73 - HG2 LYS 91 lone 7 90 - 7 - HB3 LEU 73 - HG3 LYS 91 lone 7 90 - 7 - HB2 LEU 30 - HG2 LYS 91 lone 3 100 - 3 - HB2 LEU 30 - HG3 LYS 91 lone 3 100 - 3 - Peak 3731 from cnoeabs.peaks (1.35, 1.35, 24.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 91 + HG3 LYS 91 OK 100 100 - 100 * HG2 LYS 91 + HG2 LYS 91 OK 100 100 - 100 Peak 3732 from cnoeabs.peaks (1.35, 1.35, 24.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 91 + HG3 LYS 91 OK 100 100 - 100 HG2 LYS 91 + HG2 LYS 91 OK 100 100 - 100 Reference assignment not found: HG3 LYS 91 - HG2 LYS 91 Peak 3733 from cnoeabs.peaks (1.64, 1.35, 24.40 ppm; 3.94 A): 4 out of 18 assignments used, quality = 1.00: HD2 LYS 91 + HG3 LYS 91 OK 100 100 - 100 - 3.0=100 * HD2 LYS 91 + HG2 LYS 91 OK 100 100 - 100 - 3.0=100 HD3 LYS 91 + HG3 LYS 91 OK 100 100 - 100 - 3.0=100 HD3 LYS 91 + HG2 LYS 91 OK 100 100 - 100 - 3.0=100 HB2 LYS 14 - HG2 LYS 91 OK 32 98 - 33 - 3723/3.0=4, 3713/3.0=4...(14) HB2 LYS 14 - HG3 LYS 91 OK 32 98 - 33 - 3723/3.0=4, 3713/3.0=4...(14) HB3 LYS 14 - HG3 LYS 91 OK 32 98 - 33 - 3723/3.0=4, 3713/3.0=4...(14) HB3 LYS 14 - HG2 LYS 91 OK 32 98 - 33 - 3723/3.0=4, 3713/3.0=4...(14) HG2 ARG 28 - HG2 LYS 91 OK 23 76 - 30 - 3723/3.0=3, 3713/3.0=2...(13) HG2 ARG 28 - HG3 LYS 91 OK 23 76 - 30 - 3723/3.0=3, 3713/3.0=2...(13) HG3 ARG 28 - HG2 LYS 91 OK 21 71 - 30 - 3723/3.0=2, 3713/3.0=2...(11) HG3 ARG 28 - HG3 LYS 91 OK 21 71 - 30 - 3723/3.0=2, 3713/3.0=2...(11) HG LEU 73 - HG2 LYS 91 lone 7 85 - 7 - HG LEU 73 - HG3 LYS 91 lone 7 85 - 7 - HG LEU 23 - HG2 LYS 91 lone 3 65 - 5 - HG LEU 23 - HG3 LYS 91 lone 3 65 - 5 - HG LEU 87 - HG2 LYS 91 lone 1 63 - 2 - HG LEU 87 - HG3 LYS 91 lone 1 63 - 2 - Peak 3734 from cnoeabs.peaks (1.64, 1.35, 24.40 ppm; 3.94 A): 4 out of 18 assignments used, quality = 1.00: HD3 LYS 91 + HG3 LYS 91 OK 100 100 - 100 - 3.0=100 * HD3 LYS 91 + HG2 LYS 91 OK 100 100 - 100 - 3.0=100 HD2 LYS 91 + HG3 LYS 91 OK 100 100 - 100 - 3.0=100 HD2 LYS 91 + HG2 LYS 91 OK 100 100 - 100 - 3.0=100 HB2 LYS 14 - HG2 LYS 91 OK 31 97 - 33 - 3723/3.0=4, 3713/3.0=4...(14) HB3 LYS 14 - HG3 LYS 91 OK 31 97 - 33 - 3723/3.0=4, 3713/3.0=4...(14) HB3 LYS 14 - HG2 LYS 91 OK 31 97 - 33 - 3723/3.0=4, 3713/3.0=4...(14) HB2 LYS 14 - HG3 LYS 91 OK 31 97 - 33 - 3723/3.0=4, 3713/3.0=4...(14) HG2 ARG 28 - HG2 LYS 91 OK 22 73 - 30 - 3723/3.0=3, 3713/3.0=2...(13) HG2 ARG 28 - HG3 LYS 91 OK 22 73 - 30 - 3723/3.0=3, 3713/3.0=2...(13) HG3 ARG 28 - HG2 LYS 91 OK 20 68 - 29 - 3723/3.0=2, 3713/3.0=2...(11) HG3 ARG 28 - HG3 LYS 91 OK 20 68 - 29 - 3723/3.0=2, 3713/3.0=2...(11) HG LEU 73 - HG2 LYS 91 lone 7 87 - 8 - HG LEU 73 - HG3 LYS 91 lone 7 87 - 8 - HG LEU 23 - HG2 LYS 91 lone 3 68 - 5 - HG LEU 23 - HG3 LYS 91 lone 3 68 - 5 - HG LEU 87 - HG2 LYS 91 lone 1 65 - 2 - HG LEU 87 - HG3 LYS 91 lone 1 65 - 2 - Peak 3737 from cnoeabs.peaks (7.72, 1.35, 24.40 ppm; 5.70 A): 2 out of 4 assignments used, quality = 1.00: H LYS 91 + HG2 LYS 91 OK 100 100 - 100 - 4.6=100 * H LYS 91 + HG3 LYS 91 OK 100 100 - 100 - 4.6=100 H ASN 24 - HG2 LYS 91 OK 14 68 - 20 - 3707/3.0=5, 3717/3.0=5...(5) H ASN 24 - HG3 LYS 91 OK 14 68 - 20 - 3707/3.0=5, 3717/3.0=5...(5) Peak 3739 from cnoeabs.peaks (1.79, 1.35, 24.40 ppm; 3.55 A): 2 out of 34 assignments used, quality = 1.00: HB2 LYS 91 + HG2 LYS 91 OK 100 100 - 100 - 3.0=100 * HB2 LYS 91 + HG3 LYS 91 OK 100 100 - 100 - 3.0=100 HB2 LYS 31 - HG2 LYS 91 OK 25 99 - 26 - 3719/3.0=3, 1937/3.8=2...(14) HB2 LYS 31 - HG3 LYS 91 OK 25 99 - 26 - 3719/3.0=3, 1937/3.8=2...(14) HB2 ARG 28 - HG3 LYS 91 OK 19 99 - 19 - 3719/3.0=2, 3.0/3740=1 HB2 ARG 28 - HG2 LYS 91 OK 19 99 - 19 - 3719/3.0=2, 3.0/3740=1 HG2 GLU 51 - HG3 LYS 91 OK 15 92 - 16 - 3719/3.0=2, 3.0/3740=1 HG2 GLU 51 - HG2 LYS 91 OK 15 92 - 16 - 3719/3.0=2, 3.0/3740=1 HG3 GLU 51 - HG3 LYS 91 OK 15 90 - 16 - 3719/3.0=1, 3.0/3740=1 HG3 GLU 51 - HG2 LYS 91 OK 15 90 - 16 - 3719/3.0=1, 3.0/3740=1 HB3 ARG 28 - HG2 LYS 91 OK 12 68 - 18 - 3719/3.0=1, ~3719=1, 3.0/3730=1 HB3 ARG 28 - HG3 LYS 91 OK 12 68 - 18 - 3719/3.0=1, ~3719=1, 3.0/3730=1 HB2 MET 48 - HG2 LYS 91 OK 11 100 - 11 - HB2 MET 48 - HG3 LYS 91 OK 11 100 - 11 - HB2 LYS 44 - HG2 LYS 91 OK 11 78 - 14 - 1.8/2270=1 HB2 LYS 44 - HG3 LYS 91 OK 11 78 - 14 - 1.8/2270=1 HD3 LYS 78 - HG2 LYS 91 OK 10 98 - 10 - 3719/3.0=2 HD3 LYS 78 - HG3 LYS 91 OK 10 98 - 10 - 3719/3.0=2 HB2 ARG 27 - HG2 LYS 91 poor 10 89 - 11 - 3719/3.0=1 HB2 ARG 27 - HG3 LYS 91 poor 10 89 - 11 - 3719/3.0=1 HB2 LYS 65 - HG3 LYS 91 lone 3 100 - 3 - HB2 LYS 65 - HG2 LYS 91 lone 3 100 - 3 - QB ALA 74 - HG2 LYS 91 lone 3 89 - 3 - QB ALA 74 - HG3 LYS 91 lone 3 89 - 3 - HG3 GLU 37 - HG2 LYS 91 lone 3 100 - 3 - HG3 GLU 37 - HG3 LYS 91 lone 3 100 - 3 - HG LEU 76 - HG2 LYS 91 lone 2 92 - 2 - HG LEU 76 - HG3 LYS 91 lone 2 92 - 2 - HB3 GLU 33 - HG3 LYS 91 lone 2 78 - 3 - HB3 GLU 33 - HG2 LYS 91 lone 2 78 - 3 - HB2 GLU 37 - HG2 LYS 91 lone 2 76 - 2 - HB2 GLU 37 - HG3 LYS 91 lone 2 76 - 2 - QE MET 11 - HG2 LYS 91 lone 1 73 - 2 - QE MET 11 - HG3 LYS 91 lone 1 73 - 2 - Peak 3740 from cnoeabs.peaks (1.69, 1.35, 24.40 ppm; 3.42 A): 2 out of 22 assignments used, quality = 1.00: HB3 LYS 91 + HG2 LYS 91 OK 100 100 - 100 - 3.0=100 * HB3 LYS 91 + HG3 LYS 91 OK 100 100 - 100 - 3.0=100 HB3 LYS 31 - HG3 LYS 91 OK 23 95 - 24 - 3710/3.0=3, 3760/3.0=2...(11) HB3 LYS 31 - HG2 LYS 91 OK 23 95 - 24 - 3710/3.0=3, 3760/3.0=2...(11) HD3 LYS 31 - HG3 LYS 91 OK 18 93 - 19 - 3760/3.0=2, 3750/3.0=2...(7) HD3 LYS 31 - HG2 LYS 91 OK 18 93 - 19 - 3760/3.0=2, 3750/3.0=2...(7) HG3 ARG 28 - HG3 LYS 91 OK 17 71 - 24 - 3710/3.0=2, ~3723=1...(9) HG3 ARG 28 - HG2 LYS 91 OK 17 71 - 24 - 3710/3.0=2, ~3723=1...(9) HD2 LYS 31 - HG3 LYS 91 OK 17 90 - 19 - 3760/3.0=2, 3750/3.0=2...(7) HD2 LYS 31 - HG2 LYS 91 OK 17 90 - 19 - 3760/3.0=2, 3750/3.0=2...(7) HB3 GLU 51 - HG2 LYS 91 OK 17 100 - 17 - 3710/3.0=2 HB3 GLU 51 - HG3 LYS 91 OK 17 100 - 17 - 3710/3.0=2 HG2 ARG 28 - HG2 LYS 91 OK 15 65 - 23 - 3710/3.0=2, ~3723=1, ~3724=1 HG2 ARG 28 - HG3 LYS 91 OK 15 65 - 23 - 3710/3.0=2, ~3723=1, ~3724=1 HG2 LYS 78 - HG3 LYS 91 OK 10 93 - 11 - 3710/3.0=2 HG2 LYS 78 - HG2 LYS 91 OK 10 93 - 11 - 3710/3.0=2 HB3 ARG 27 - HG2 LYS 91 OK 10 97 - 10 - 3710/3.0=1 HB3 ARG 27 - HG3 LYS 91 OK 10 97 - 10 - 3710/3.0=1 HB3 LEU 73 - HG2 LYS 91 lone 7 90 - 7 - HB3 LEU 73 - HG3 LYS 91 lone 7 90 - 7 - HB2 LEU 30 - HG2 LYS 91 lone 3 100 - 3 - HB2 LEU 30 - HG3 LYS 91 lone 3 100 - 3 - Peak 3741 from cnoeabs.peaks (1.35, 1.35, 24.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 91 + HG3 LYS 91 OK 100 100 - 100 HG2 LYS 91 + HG2 LYS 91 OK 100 100 - 100 Reference assignment not found: HG2 LYS 91 - HG3 LYS 91 Peak 3742 from cnoeabs.peaks (1.35, 1.35, 24.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 91 + HG3 LYS 91 OK 100 100 - 100 HG2 LYS 91 + HG2 LYS 91 OK 100 100 - 100 Peak 3743 from cnoeabs.peaks (1.64, 1.35, 24.40 ppm; 3.94 A): 4 out of 18 assignments used, quality = 1.00: * HD2 LYS 91 + HG3 LYS 91 OK 100 100 - 100 - 3.0=100 HD2 LYS 91 + HG2 LYS 91 OK 100 100 - 100 - 3.0=100 HD3 LYS 91 + HG3 LYS 91 OK 100 100 - 100 - 3.0=100 HD3 LYS 91 + HG2 LYS 91 OK 100 100 - 100 - 3.0=100 HB2 LYS 14 - HG2 LYS 91 OK 32 98 - 33 - 3723/3.0=4, 3713/3.0=4...(14) HB2 LYS 14 - HG3 LYS 91 OK 32 98 - 33 - 3723/3.0=4, 3713/3.0=4...(14) HB3 LYS 14 - HG3 LYS 91 OK 32 98 - 33 - 3723/3.0=4, 3713/3.0=4...(14) HB3 LYS 14 - HG2 LYS 91 OK 32 98 - 33 - 3723/3.0=4, 3713/3.0=4...(14) HG2 ARG 28 - HG2 LYS 91 OK 23 76 - 30 - 3723/3.0=3, 3713/3.0=2...(13) HG2 ARG 28 - HG3 LYS 91 OK 23 76 - 30 - 3723/3.0=3, 3713/3.0=2...(13) HG3 ARG 28 - HG2 LYS 91 OK 21 71 - 30 - 3723/3.0=2, 3713/3.0=2...(11) HG3 ARG 28 - HG3 LYS 91 OK 21 71 - 30 - 3723/3.0=2, 3713/3.0=2...(11) HG LEU 73 - HG2 LYS 91 lone 7 85 - 7 - HG LEU 73 - HG3 LYS 91 lone 7 85 - 7 - HG LEU 23 - HG2 LYS 91 lone 3 65 - 5 - HG LEU 23 - HG3 LYS 91 lone 3 65 - 5 - HG LEU 87 - HG2 LYS 91 lone 1 63 - 2 - HG LEU 87 - HG3 LYS 91 lone 1 63 - 2 - Peak 3744 from cnoeabs.peaks (1.64, 1.35, 24.40 ppm; 3.94 A): 4 out of 18 assignments used, quality = 1.00: * HD3 LYS 91 + HG3 LYS 91 OK 100 100 - 100 - 3.0=100 HD3 LYS 91 + HG2 LYS 91 OK 100 100 - 100 - 3.0=100 HD2 LYS 91 + HG3 LYS 91 OK 100 100 - 100 - 3.0=100 HD2 LYS 91 + HG2 LYS 91 OK 100 100 - 100 - 3.0=100 HB2 LYS 14 - HG2 LYS 91 OK 31 97 - 33 - 3723/3.0=4, 3713/3.0=4...(14) HB3 LYS 14 - HG3 LYS 91 OK 31 97 - 33 - 3723/3.0=4, 3713/3.0=4...(14) HB3 LYS 14 - HG2 LYS 91 OK 31 97 - 33 - 3723/3.0=4, 3713/3.0=4...(14) HB2 LYS 14 - HG3 LYS 91 OK 31 97 - 33 - 3723/3.0=4, 3713/3.0=4...(14) HG2 ARG 28 - HG2 LYS 91 OK 22 73 - 30 - 3723/3.0=3, 3713/3.0=2...(13) HG2 ARG 28 - HG3 LYS 91 OK 22 73 - 30 - 3723/3.0=3, 3713/3.0=2...(13) HG3 ARG 28 - HG2 LYS 91 OK 20 68 - 29 - 3723/3.0=2, 3713/3.0=2...(11) HG3 ARG 28 - HG3 LYS 91 OK 20 68 - 29 - 3723/3.0=2, 3713/3.0=2...(11) HG LEU 73 - HG2 LYS 91 lone 7 87 - 8 - HG LEU 73 - HG3 LYS 91 lone 7 87 - 8 - HG LEU 23 - HG2 LYS 91 lone 3 68 - 5 - HG LEU 23 - HG3 LYS 91 lone 3 68 - 5 - HG LEU 87 - HG2 LYS 91 lone 1 65 - 2 - HG LEU 87 - HG3 LYS 91 lone 1 65 - 2 - Peak 3749 from cnoeabs.peaks (1.79, 1.64, 28.94 ppm; 5.58 A): 4 out of 34 assignments used, quality = 1.00: * HB2 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.7=100 HB2 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.7=100 HB2 LYS 31 + HD2 LYS 91 OK 62 99 - 63 - 1937/3.0=6, 1937/3.0=6...(32) HB2 LYS 31 + HD3 LYS 91 OK 62 99 - 63 - 1937/3.0=6, 1937/3.0=6...(32) HB2 ARG 28 - HD3 LYS 91 OK 36 99 - 36 - 3719/3.7=3, ~4564=2...(14) HB2 ARG 28 - HD2 LYS 91 OK 36 99 - 36 - 3719/3.7=3, ~4564=2...(14) HB3 ARG 28 - HD2 LYS 91 OK 23 68 - 34 - ~4564=2, 3719/3.7=2...(16) HB3 ARG 28 - HD3 LYS 91 OK 23 68 - 34 - ~4564=2, 3719/3.7=2...(16) HG2 GLU 51 - HD2 LYS 91 OK 19 92 - 21 - 3719/3.7=2, ~6086=2...(11) HG2 GLU 51 - HD3 LYS 91 OK 19 92 - 21 - 3719/3.7=2, ~6086=2...(11) HG3 GLU 51 - HD2 LYS 91 OK 19 90 - 21 - 3719/3.7=2, ~6086=2...(11) HG3 GLU 51 - HD3 LYS 91 OK 19 90 - 21 - 3719/3.7=2, ~6086=2...(11) HB2 ARG 27 - HD2 LYS 91 OK 14 89 - 16 - 3719/3.7=2, 3699/5.2=1 HB2 ARG 27 - HD3 LYS 91 OK 14 89 - 16 - 3719/3.7=2, 3699/5.2=1 HD3 LYS 78 - HD2 LYS 91 OK 13 98 - 13 - 3351/3.7=3, 3699/5.2=1...(4) HD3 LYS 78 - HD3 LYS 91 OK 13 98 - 13 - 3351/3.7=3, 3699/5.2=1...(4) HB2 LYS 44 - HD2 LYS 91 OK 11 78 - 14 - 943/6.0=1, ~2270=1...(4) HB2 LYS 44 - HD3 LYS 91 OK 11 78 - 14 - 943/6.0=1, ~2270=1...(4) HB2 MET 48 - HD2 LYS 91 OK 11 100 - 10 - ~4897=1, 3729/3.0=1, 3729/3.0=1 HB2 MET 48 - HD3 LYS 91 OK 11 100 - 10 - ~4897=1, 3729/3.0=1, 3739/3.0=1 QB ALA 74 - HD2 LYS 91 lone 7 89 - 7 - QB ALA 74 - HD3 LYS 91 lone 7 89 - 7 - HB2 LYS 65 - HD2 LYS 91 lone 5 100 - 5 - HB2 LYS 65 - HD3 LYS 91 lone 5 100 - 5 - HG3 GLU 37 - HD2 LYS 91 lone 5 100 - 5 - HG3 GLU 37 - HD3 LYS 91 lone 5 100 - 5 - HG LEU 76 - HD3 LYS 91 lone 4 92 - 4 - HG LEU 76 - HD2 LYS 91 lone 4 92 - 4 - QE MET 11 - HD2 LYS 91 lone 3 73 - 4 - QE MET 11 - HD3 LYS 91 lone 3 73 - 4 - HB2 GLU 37 - HD2 LYS 91 lone 3 76 - 4 - HB2 GLU 37 - HD3 LYS 91 lone 3 76 - 4 - HB3 GLU 33 - HD2 LYS 91 lone 3 78 - 4 - HB3 GLU 33 - HD3 LYS 91 lone 3 78 - 4 - Peak 3750 from cnoeabs.peaks (1.69, 1.64, 28.94 ppm; 2.40 A): 6 out of 22 assignments used, quality = 0.79: * HB3 LYS 91 + HD2 LYS 91 OK 43 100 - 43 - 3.7=26, 3724/1.8=7...(7) HB3 LYS 91 + HD3 LYS 91 OK 43 100 - 43 - 3.7=26, 3724/1.8=7...(7) HB3 LYS 31 + HD2 LYS 91 OK 11 95 - 12 - 3710/3.7=1 HB3 LYS 31 + HD3 LYS 91 OK 11 94 - 12 - 3710/3.7=1 HD3 LYS 31 + HD2 LYS 91 OK 10 93 - 11 - HD3 LYS 31 + HD3 LYS 91 OK 10 93 - 11 - HD2 LYS 31 - HD2 LYS 91 poor 10 90 - 11 - HD2 LYS 31 - HD3 LYS 91 poor 10 90 - 11 - HG3 ARG 28 - HD2 LYS 91 lone 6 71 - 8 - HG3 ARG 28 - HD3 LYS 91 lone 6 71 - 8 - HG2 ARG 28 - HD2 LYS 91 lone 5 65 - 8 - HG2 ARG 28 - HD3 LYS 91 lone 5 65 - 8 - HB3 LEU 73 - HD3 LYS 91 lone 4 90 - 5 - HB3 LEU 73 - HD2 LYS 91 lone 4 90 - 5 - HB3 GLU 51 - HD3 LYS 91 lone 3 100 - 3 - HB3 GLU 51 - HD2 LYS 91 lone 3 100 - 3 - HB3 ARG 27 - HD2 LYS 91 lone 3 97 - 3 - HB3 ARG 27 - HD3 LYS 91 lone 3 97 - 3 - HG2 LYS 78 - HD2 LYS 91 lone 2 93 - 2 - HG2 LYS 78 - HD3 LYS 91 lone 2 93 - 2 - HB2 LEU 30 - HD3 LYS 91 lone 1 100 - 1 - HB2 LEU 30 - HD2 LYS 91 lone 1 100 - 1 - Peak 3751 from cnoeabs.peaks (1.35, 1.64, 28.94 ppm; 3.83 A): 4 out of 22 assignments used, quality = 1.00: * HG2 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.0=100 HG3 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.0=100 HG2 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.0=100 HG3 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.0=100 HG2 LYS 44 - HD2 LYS 91 lone 8 85 - 9 - 3712/3.7=1, 3721/3.7=1 HG2 LYS 44 - HD3 LYS 91 lone 8 85 - 9 - 3712/3.7=1, 3721/3.7=1 QB ALA 89 - HD2 LYS 91 lone 4 100 - 4 - 946/6.0=1 QB ALA 89 - HD3 LYS 91 lone 4 100 - 4 - 946/6.0=1 HB2 LYS 64 - HD2 LYS 91 lone 4 97 - 4 - HB2 LYS 64 - HD3 LYS 91 lone 4 97 - 4 - HG2 LYS 68 - HD2 LYS 91 lone 3 89 - 3 - HG2 LYS 68 - HD3 LYS 91 lone 3 89 - 3 - QB ALA 67 - HD2 LYS 91 lone 3 83 - 3 - QB ALA 67 - HD3 LYS 91 lone 3 83 - 3 - HB VAL 50 - HD2 LYS 91 lone 2 68 - 3 - HB VAL 50 - HD3 LYS 91 lone 2 68 - 3 - HB3 LYS 56 - HD2 LYS 91 lone 2 65 - 3 - HB3 LYS 56 - HD3 LYS 91 lone 2 65 - 3 - QB ALA 86 - HD3 LYS 91 lone 2 97 - 2 - QB ALA 86 - HD2 LYS 91 lone 2 97 - 2 - HB3 LEU 12 - HD2 LYS 91 lone 2 71 - 2 - HB3 LEU 12 - HD3 LYS 91 lone 2 71 - 2 - Peak 3752 from cnoeabs.peaks (1.35, 1.64, 28.94 ppm; 3.83 A): 4 out of 22 assignments used, quality = 1.00: HG2 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.0=100 * HG3 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.0=100 HG2 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.0=100 HG3 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.0=100 HG2 LYS 44 - HD2 LYS 91 lone 8 85 - 9 - 3712/3.7=1, 3721/3.7=1 HG2 LYS 44 - HD3 LYS 91 lone 8 85 - 9 - 3712/3.7=1, 3721/3.7=1 QB ALA 89 - HD2 LYS 91 lone 4 100 - 4 - 946/6.0=1 QB ALA 89 - HD3 LYS 91 lone 4 100 - 4 - 946/6.0=1 HB2 LYS 64 - HD2 LYS 91 lone 4 97 - 4 - HB2 LYS 64 - HD3 LYS 91 lone 4 97 - 4 - HG2 LYS 68 - HD2 LYS 91 lone 3 89 - 3 - HG2 LYS 68 - HD3 LYS 91 lone 3 89 - 3 - QB ALA 67 - HD2 LYS 91 lone 3 83 - 3 - QB ALA 67 - HD3 LYS 91 lone 3 83 - 3 - HB VAL 50 - HD2 LYS 91 lone 2 68 - 3 - HB VAL 50 - HD3 LYS 91 lone 2 68 - 3 - HB3 LYS 56 - HD2 LYS 91 lone 2 65 - 3 - HB3 LYS 56 - HD3 LYS 91 lone 2 65 - 3 - QB ALA 86 - HD3 LYS 91 lone 2 97 - 2 - QB ALA 86 - HD2 LYS 91 lone 2 97 - 2 - HB3 LEU 12 - HD2 LYS 91 lone 2 71 - 2 - HB3 LEU 12 - HD3 LYS 91 lone 2 71 - 2 - Peak 3753 from cnoeabs.peaks (1.64, 1.64, 28.94 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 91 + HD2 LYS 91 OK 100 100 - 100 HD3 LYS 91 + HD3 LYS 91 OK 100 100 - 100 Peak 3754 from cnoeabs.peaks (1.64, 1.64, 28.94 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 91 + HD3 LYS 91 OK 100 100 - 100 HD2 LYS 91 + HD2 LYS 91 OK 100 100 - 100 Reference assignment not found: HD3 LYS 91 - HD2 LYS 91 Peak 3755 from cnoeabs.peaks (2.96, 1.64, 28.94 ppm; 3.72 A): 4 out of 16 assignments used, quality = 1.00: * HE2 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.0=100 HE3 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.0=100 HE2 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.0=100 HE3 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.0=100 HE2 LYS 31 - HD2 LYS 91 OK 18 100 - 18 - 3.0/3750=2, 3.0/3750=2...(7) HE2 LYS 31 - HD3 LYS 91 OK 18 100 - 18 - 3.0/3760=2, 3.0/3760=2...(7) HE3 LYS 31 - HD2 LYS 91 OK 18 100 - 18 - 3.0/3750=2, 3.0/3750=2...(7) HE3 LYS 31 - HD3 LYS 91 OK 18 100 - 18 - 3.0/3760=2, 3.0/3760=2...(7) HB2 TYR 70 - HD2 LYS 91 poor 10 85 - 11 - 2.5/4694=2, ~4694=1, ~4578=1 HB2 TYR 70 - HD3 LYS 91 poor 10 85 - 11 - 2.5/4694=2, ~4694=1, ~4578=1 HB3 HIS 15 - HD3 LYS 91 lone 4 100 - 4 - 4.0/4297=2 HB3 HIS 15 - HD2 LYS 91 lone 4 100 - 4 - 4.0/4297=2 HD2 ARG 45 - HD2 LYS 91 lone 2 97 - 2 - HD3 ARG 45 - HD2 LYS 91 lone 2 97 - 2 - HD2 ARG 45 - HD3 LYS 91 lone 2 97 - 2 - HD3 ARG 45 - HD3 LYS 91 lone 2 97 - 2 - Peak 3756 from cnoeabs.peaks (2.96, 1.64, 28.94 ppm; 3.72 A): 4 out of 16 assignments used, quality = 1.00: HE2 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.0=100 * HE3 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.0=100 HE2 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.0=100 HE3 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.0=100 HE2 LYS 31 - HD2 LYS 91 OK 18 100 - 18 - 3.0/3750=2, 3.0/3750=2...(7) HE2 LYS 31 - HD3 LYS 91 OK 18 100 - 18 - 3.0/3760=2, 3.0/3760=2...(7) HE3 LYS 31 - HD2 LYS 91 OK 18 100 - 18 - 3.0/3750=2, 3.0/3750=2...(7) HE3 LYS 31 - HD3 LYS 91 OK 18 100 - 18 - 3.0/3760=2, 3.0/3760=2...(7) HB2 TYR 70 - HD2 LYS 91 poor 10 85 - 11 - 2.5/4694=2, ~4694=1, ~4578=1 HB2 TYR 70 - HD3 LYS 91 poor 10 85 - 11 - 2.5/4694=2, ~4694=1, ~4578=1 HB3 HIS 15 - HD3 LYS 91 lone 4 100 - 4 - 4.0/4297=2 HB3 HIS 15 - HD2 LYS 91 lone 4 100 - 4 - 4.0/4297=2 HD2 ARG 45 - HD2 LYS 91 lone 2 97 - 2 - HD3 ARG 45 - HD2 LYS 91 lone 2 97 - 2 - HD2 ARG 45 - HD3 LYS 91 lone 2 97 - 2 - HD3 ARG 45 - HD3 LYS 91 lone 2 97 - 2 - Peak 3759 from cnoeabs.peaks (1.79, 1.64, 28.94 ppm; 5.58 A): 4 out of 34 assignments used, quality = 1.00: * HB2 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.7=100 HB2 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.7=100 HB2 LYS 31 + HD3 LYS 91 OK 62 99 - 63 - 1937/3.0=6, 1937/3.0=6...(32) HB2 LYS 31 + HD2 LYS 91 OK 62 99 - 63 - 1937/3.0=6, 1937/3.0=6...(32) HB2 ARG 28 - HD3 LYS 91 OK 36 99 - 36 - 3719/3.7=3, ~4564=2...(14) HB2 ARG 28 - HD2 LYS 91 OK 36 99 - 36 - 3719/3.7=3, ~4564=2...(14) HB3 ARG 28 - HD3 LYS 91 OK 23 68 - 34 - ~4564=2, 3719/3.7=2...(16) HB3 ARG 28 - HD2 LYS 91 OK 23 68 - 34 - ~4564=2, 3719/3.7=2...(16) HG2 GLU 51 - HD2 LYS 91 OK 19 92 - 21 - 3719/3.7=2, ~6086=2...(11) HG2 GLU 51 - HD3 LYS 91 OK 19 92 - 21 - 3719/3.7=2, ~6086=2...(11) HG3 GLU 51 - HD2 LYS 91 OK 19 90 - 21 - 3719/3.7=2, ~6086=2...(11) HG3 GLU 51 - HD3 LYS 91 OK 19 90 - 21 - 3719/3.7=2, ~6086=2...(11) HB2 ARG 27 - HD2 LYS 91 OK 14 89 - 16 - 3719/3.7=2, 3699/5.2=1 HB2 ARG 27 - HD3 LYS 91 OK 14 89 - 16 - 3719/3.7=2, 3699/5.2=1 HD3 LYS 78 - HD3 LYS 91 OK 13 98 - 13 - 3351/3.7=3, 3699/5.2=1...(4) HD3 LYS 78 - HD2 LYS 91 OK 13 98 - 13 - 3351/3.7=3, 3699/5.2=1...(4) HB2 LYS 44 - HD3 LYS 91 OK 11 78 - 14 - 943/6.0=1, ~2270=1...(4) HB2 LYS 44 - HD2 LYS 91 OK 11 78 - 14 - 943/6.0=1, ~2270=1...(4) HB2 MET 48 - HD2 LYS 91 OK 11 100 - 10 - ~4897=1, 3729/3.0=1, 3729/3.0=1 HB2 MET 48 - HD3 LYS 91 OK 11 100 - 10 - ~4897=1, 3729/3.0=1, 3739/3.0=1 QB ALA 74 - HD2 LYS 91 lone 7 89 - 7 - QB ALA 74 - HD3 LYS 91 lone 7 89 - 7 - HB2 LYS 65 - HD3 LYS 91 lone 5 100 - 5 - HB2 LYS 65 - HD2 LYS 91 lone 5 100 - 5 - HG3 GLU 37 - HD2 LYS 91 lone 5 100 - 5 - HG3 GLU 37 - HD3 LYS 91 lone 5 100 - 5 - HG LEU 76 - HD3 LYS 91 lone 4 92 - 4 - HG LEU 76 - HD2 LYS 91 lone 4 92 - 4 - QE MET 11 - HD3 LYS 91 lone 3 73 - 4 - QE MET 11 - HD2 LYS 91 lone 3 73 - 4 - HB2 GLU 37 - HD3 LYS 91 lone 3 76 - 4 - HB2 GLU 37 - HD2 LYS 91 lone 3 76 - 4 - HB3 GLU 33 - HD3 LYS 91 lone 3 78 - 4 - HB3 GLU 33 - HD2 LYS 91 lone 3 78 - 4 - Peak 3760 from cnoeabs.peaks (1.69, 1.64, 28.94 ppm; 2.40 A): 6 out of 22 assignments used, quality = 0.79: * HB3 LYS 91 + HD3 LYS 91 OK 43 100 - 43 - 3.7=26, 3724/1.8=7...(7) HB3 LYS 91 + HD2 LYS 91 OK 43 100 - 43 - 3.7=26, 3724/1.8=7...(7) HB3 LYS 31 + HD3 LYS 91 OK 11 95 - 12 - 3710/3.7=1 HB3 LYS 31 + HD2 LYS 91 OK 11 94 - 12 - 3710/3.7=1 HD3 LYS 31 + HD3 LYS 91 OK 10 93 - 11 - HD3 LYS 31 + HD2 LYS 91 OK 10 93 - 11 - HD2 LYS 31 - HD3 LYS 91 poor 10 90 - 11 - HD2 LYS 31 - HD2 LYS 91 poor 10 90 - 11 - HG3 ARG 28 - HD3 LYS 91 lone 6 71 - 8 - HG3 ARG 28 - HD2 LYS 91 lone 6 71 - 8 - HG2 ARG 28 - HD3 LYS 91 lone 5 65 - 8 - HG2 ARG 28 - HD2 LYS 91 lone 5 65 - 8 - HB3 LEU 73 - HD3 LYS 91 lone 4 90 - 5 - HB3 LEU 73 - HD2 LYS 91 lone 4 90 - 5 - HB3 GLU 51 - HD3 LYS 91 lone 3 100 - 3 - HB3 GLU 51 - HD2 LYS 91 lone 3 100 - 3 - HB3 ARG 27 - HD2 LYS 91 lone 3 97 - 3 - HB3 ARG 27 - HD3 LYS 91 lone 3 97 - 3 - HG2 LYS 78 - HD3 LYS 91 lone 2 93 - 2 - HG2 LYS 78 - HD2 LYS 91 lone 2 93 - 2 - HB2 LEU 30 - HD3 LYS 91 lone 1 100 - 1 - HB2 LEU 30 - HD2 LYS 91 lone 1 100 - 1 - Peak 3761 from cnoeabs.peaks (1.35, 1.64, 28.94 ppm; 3.83 A): 4 out of 22 assignments used, quality = 1.00: * HG2 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.0=100 HG3 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.0=100 HG2 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.0=100 HG3 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.0=100 HG2 LYS 44 - HD3 LYS 91 lone 8 85 - 9 - 3712/3.7=1, 3721/3.7=1 HG2 LYS 44 - HD2 LYS 91 lone 8 85 - 9 - 3712/3.7=1, 3721/3.7=1 QB ALA 89 - HD3 LYS 91 lone 4 100 - 4 - 946/6.0=1 QB ALA 89 - HD2 LYS 91 lone 4 100 - 4 - 946/6.0=1 HB2 LYS 64 - HD3 LYS 91 lone 4 97 - 4 - HB2 LYS 64 - HD2 LYS 91 lone 4 97 - 4 - HG2 LYS 68 - HD3 LYS 91 lone 3 89 - 3 - HG2 LYS 68 - HD2 LYS 91 lone 3 89 - 3 - QB ALA 67 - HD3 LYS 91 lone 3 83 - 3 - QB ALA 67 - HD2 LYS 91 lone 3 83 - 3 - HB VAL 50 - HD3 LYS 91 lone 2 68 - 3 - HB VAL 50 - HD2 LYS 91 lone 2 68 - 3 - HB3 LYS 56 - HD2 LYS 91 lone 2 65 - 3 - HB3 LYS 56 - HD3 LYS 91 lone 2 65 - 3 - QB ALA 86 - HD3 LYS 91 lone 2 97 - 2 - QB ALA 86 - HD2 LYS 91 lone 2 97 - 2 - HB3 LEU 12 - HD3 LYS 91 lone 2 71 - 2 - HB3 LEU 12 - HD2 LYS 91 lone 2 71 - 2 - Peak 3762 from cnoeabs.peaks (1.35, 1.64, 28.94 ppm; 3.83 A): 4 out of 22 assignments used, quality = 1.00: HG2 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.0=100 * HG3 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.0=100 HG2 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.0=100 HG3 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.0=100 HG2 LYS 44 - HD3 LYS 91 lone 8 85 - 9 - 3712/3.7=1, 3721/3.7=1 HG2 LYS 44 - HD2 LYS 91 lone 8 85 - 9 - 3712/3.7=1, 3721/3.7=1 QB ALA 89 - HD3 LYS 91 lone 4 100 - 4 - 946/6.0=1 QB ALA 89 - HD2 LYS 91 lone 4 100 - 4 - 946/6.0=1 HB2 LYS 64 - HD3 LYS 91 lone 4 97 - 4 - HB2 LYS 64 - HD2 LYS 91 lone 4 97 - 4 - HG2 LYS 68 - HD3 LYS 91 lone 3 89 - 3 - HG2 LYS 68 - HD2 LYS 91 lone 3 89 - 3 - QB ALA 67 - HD3 LYS 91 lone 3 83 - 3 - QB ALA 67 - HD2 LYS 91 lone 3 83 - 3 - HB VAL 50 - HD3 LYS 91 lone 2 68 - 3 - HB VAL 50 - HD2 LYS 91 lone 2 68 - 3 - HB3 LYS 56 - HD2 LYS 91 lone 2 65 - 3 - HB3 LYS 56 - HD3 LYS 91 lone 2 65 - 3 - QB ALA 86 - HD3 LYS 91 lone 2 97 - 2 - QB ALA 86 - HD2 LYS 91 lone 2 97 - 2 - HB3 LEU 12 - HD3 LYS 91 lone 2 71 - 2 - HB3 LEU 12 - HD2 LYS 91 lone 2 71 - 2 - Peak 3763 from cnoeabs.peaks (1.64, 1.64, 28.94 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 91 + HD3 LYS 91 OK 100 100 - 100 HD2 LYS 91 + HD2 LYS 91 OK 100 100 - 100 Reference assignment not found: HD2 LYS 91 - HD3 LYS 91 Peak 3764 from cnoeabs.peaks (1.64, 1.64, 28.94 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 91 + HD3 LYS 91 OK 100 100 - 100 HD2 LYS 91 + HD2 LYS 91 OK 100 100 - 100 Peak 3765 from cnoeabs.peaks (2.96, 1.64, 28.94 ppm; 3.72 A): 4 out of 16 assignments used, quality = 1.00: HE3 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.0=100 * HE2 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.0=100 HE3 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.0=100 HE2 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.0=100 HE2 LYS 31 - HD3 LYS 91 OK 18 100 - 18 - 3.0/3760=2, 3.0/3760=2...(7) HE2 LYS 31 - HD2 LYS 91 OK 18 100 - 18 - 3.0/3750=2, 3.0/3750=2...(7) HE3 LYS 31 - HD3 LYS 91 OK 18 100 - 18 - 3.0/3760=2, 3.0/3760=2...(7) HE3 LYS 31 - HD2 LYS 91 OK 18 100 - 18 - 3.0/3750=2, 3.0/3750=2...(7) HB2 TYR 70 - HD3 LYS 91 poor 10 85 - 11 - 2.5/4694=2, ~4694=1, ~4578=1 HB2 TYR 70 - HD2 LYS 91 poor 10 85 - 11 - 2.5/4694=2, ~4694=1, ~4578=1 HB3 HIS 15 - HD3 LYS 91 lone 4 100 - 4 - 4.0/4297=2 HB3 HIS 15 - HD2 LYS 91 lone 4 100 - 4 - 4.0/4297=2 HD2 ARG 45 - HD3 LYS 91 lone 2 97 - 2 - HD3 ARG 45 - HD3 LYS 91 lone 2 97 - 2 - HD2 ARG 45 - HD2 LYS 91 lone 2 97 - 2 - HD3 ARG 45 - HD2 LYS 91 lone 2 97 - 2 - Peak 3766 from cnoeabs.peaks (2.96, 1.64, 28.94 ppm; 3.72 A): 4 out of 16 assignments used, quality = 1.00: * HE3 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.0=100 HE2 LYS 91 + HD3 LYS 91 OK 100 100 - 100 - 3.0=100 HE3 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.0=100 HE2 LYS 91 + HD2 LYS 91 OK 100 100 - 100 - 3.0=100 HE2 LYS 31 - HD3 LYS 91 OK 18 100 - 18 - 3.0/3760=2, 3.0/3760=2...(7) HE2 LYS 31 - HD2 LYS 91 OK 18 100 - 18 - 3.0/3750=2, 3.0/3750=2...(7) HE3 LYS 31 - HD3 LYS 91 OK 18 100 - 18 - 3.0/3760=2, 3.0/3760=2...(7) HE3 LYS 31 - HD2 LYS 91 OK 18 100 - 18 - 3.0/3750=2, 3.0/3750=2...(7) HB2 TYR 70 - HD3 LYS 91 poor 10 85 - 11 - 2.5/4694=2, ~4694=1, ~4578=1 HB2 TYR 70 - HD2 LYS 91 poor 10 85 - 11 - 2.5/4694=2, ~4694=1, ~4578=1 HB3 HIS 15 - HD3 LYS 91 lone 4 100 - 4 - 4.0/4297=2 HB3 HIS 15 - HD2 LYS 91 lone 4 100 - 4 - 4.0/4297=2 HD2 ARG 45 - HD3 LYS 91 lone 2 97 - 2 - HD3 ARG 45 - HD3 LYS 91 lone 2 97 - 2 - HD2 ARG 45 - HD2 LYS 91 lone 2 97 - 2 - HD3 ARG 45 - HD2 LYS 91 lone 2 97 - 2 - Peak 3767 from cnoeabs.peaks (7.72, 2.96, 41.86 ppm; 6.20 A): 2 out of 8 assignments used, quality = 0.99: * H LYS 91 + HE2 LYS 91 OK 90 100 - 90 - 6.7=80, 944/5.0=20...(7) H LYS 91 + HE3 LYS 91 OK 90 100 - 90 - 6.7=80, 944/5.0=20...(7) H LYS 91 - HE2 LYS 31 OK 21 99 - 21 - 943/5.3=4, 944/3.0=3...(7) H LYS 91 - HE3 LYS 31 OK 21 99 - 21 - 943/5.3=4, 944/3.0=3...(7) H ASN 24 - HE2 LYS 91 OK 14 68 - 20 - 3707/5.0=5, 3717/5.0=4...(5) H ASN 24 - HE3 LYS 91 OK 14 68 - 20 - 3707/5.0=5, 3717/5.0=4...(5) H ASN 24 - HE2 LYS 31 lone 5 66 - 7 - H ASN 24 - HE3 LYS 31 lone 5 65 - 7 - Peak 3773 from cnoeabs.peaks (1.64, 2.96, 41.86 ppm; 3.49 A): 4 out of 36 assignments used, quality = 1.00: HD2 LYS 91 + HE3 LYS 91 OK 100 100 - 100 - 3.0=100 * HD2 LYS 91 + HE2 LYS 91 OK 100 100 - 100 - 3.0=100 HD3 LYS 91 + HE3 LYS 91 OK 100 100 - 100 - 3.0=100 HD3 LYS 91 + HE2 LYS 91 OK 100 100 - 100 - 3.0=100 HD2 LYS 91 - HE2 LYS 31 OK 16 99 - 17 - 3750/3.0=2, 3750/3.0=2...(5) HD3 LYS 91 - HE2 LYS 31 OK 16 99 - 17 - 3760/3.0=2, 3760/3.0=2...(5) HD2 LYS 91 - HE3 LYS 31 OK 16 99 - 17 - 3750/3.0=2, 3750/3.0=2...(5) HD3 LYS 91 - HE3 LYS 31 OK 16 99 - 17 - 3760/3.0=2, 3760/3.0=2...(5) HG2 ARG 28 - HE3 LYS 91 OK 11 76 - 14 - 1.8/4564=2, 4564=2...(5) HG2 ARG 28 - HE2 LYS 91 OK 11 76 - 14 - 1.8/4564=2, 4564=2...(5) HG3 ARG 28 - HE2 LYS 91 OK 10 71 - 14 - 1.8/4564=2, 4564=2...(4) HG3 ARG 28 - HE3 LYS 91 OK 10 71 - 14 - 1.8/4564=2, 4564=2...(4) HB3 LYS 14 - HE2 LYS 91 lone 9 98 - 9 - 3723/5.0=2, 3713/5.0=2 HB3 LYS 14 - HE3 LYS 91 lone 9 98 - 9 - 3723/5.0=2, 3713/5.0=2 HB2 LYS 14 - HE2 LYS 91 lone 9 98 - 9 - 3723/5.0=2, 3713/5.0=2 HB2 LYS 14 - HE3 LYS 91 lone 9 98 - 9 - 3723/5.0=2, 3713/5.0=2 HG2 ARG 28 - HE2 LYS 31 lone 7 73 - 9 - 1.8/4564=1, 4564=1...(4) HG2 ARG 28 - HE3 LYS 31 lone 7 73 - 9 - 1.8/4564=1, 4564=1...(4) HG3 ARG 28 - HE2 LYS 31 lone 6 68 - 9 - 1.8/4564=1, 4564=1...(4) HG3 ARG 28 - HE3 LYS 31 lone 6 68 - 9 - 1.8/4564=1, 4564=1...(4) HG LEU 73 - HE3 LYS 91 lone 4 85 - 5 - HG LEU 73 - HE2 LYS 91 lone 4 85 - 5 - HG LEU 73 - HE2 LYS 31 lone 4 82 - 5 - ~6106=1, 2.1/6106=1 HG LEU 73 - HE3 LYS 31 lone 4 82 - 5 - ~6106=1, 2.1/6106=1 HB3 LYS 14 - HE2 LYS 31 lone 1 96 - 1 - HB2 LYS 14 - HE2 LYS 31 lone 1 96 - 1 - HB3 LYS 14 - HE3 LYS 31 lone 1 96 - 1 - HB2 LYS 14 - HE3 LYS 31 lone 1 96 - 1 - HG LEU 23 - HE2 LYS 91 lone 1 65 - 2 - HG LEU 23 - HE3 LYS 91 lone 1 65 - 2 - HG LEU 23 - HE2 LYS 31 lone 0 63 - 1 - HG LEU 87 - HE2 LYS 91 lone 0 63 - 1 - HG LEU 87 - HE3 LYS 91 lone 0 63 - 1 - HG LEU 23 - HE3 LYS 31 lone 0 63 - 1 - HG LEU 87 - HE2 LYS 31 lone 0 60 - 1 - HG LEU 87 - HE3 LYS 31 lone 0 60 - 1 - Peak 3774 from cnoeabs.peaks (1.64, 2.96, 41.86 ppm; 3.49 A): 4 out of 36 assignments used, quality = 1.00: * HD3 LYS 91 + HE2 LYS 91 OK 100 100 - 100 - 3.0=100 HD3 LYS 91 + HE3 LYS 91 OK 100 100 - 100 - 3.0=100 HD2 LYS 91 + HE3 LYS 91 OK 100 100 - 100 - 3.0=100 HD2 LYS 91 + HE2 LYS 91 OK 100 100 - 100 - 3.0=100 HD3 LYS 91 - HE2 LYS 31 OK 16 99 - 17 - 3760/3.0=2, 3760/3.0=2...(5) HD2 LYS 91 - HE2 LYS 31 OK 16 99 - 17 - 3750/3.0=2, 3750/3.0=2...(5) HD3 LYS 91 - HE3 LYS 31 OK 16 99 - 17 - 3760/3.0=2, 3760/3.0=2...(5) HD2 LYS 91 - HE3 LYS 31 OK 16 99 - 17 - 3750/3.0=2, 3750/3.0=2...(5) HG2 ARG 28 - HE2 LYS 91 OK 11 73 - 14 - 1.8/4564=2, 4564=2...(5) HG2 ARG 28 - HE3 LYS 91 OK 11 73 - 14 - 1.8/4564=2, 4564=2...(5) HG3 ARG 28 - HE2 LYS 91 poor 10 68 - 14 - 1.8/4564=2, 4564=1...(4) HG3 ARG 28 - HE3 LYS 91 poor 10 68 - 14 - 1.8/4564=2, 4564=1...(4) HB2 LYS 14 - HE2 LYS 91 lone 9 97 - 9 - 3723/5.0=2, 3713/5.0=2 HB2 LYS 14 - HE3 LYS 91 lone 9 97 - 9 - 3723/5.0=2, 3713/5.0=2 HB3 LYS 14 - HE2 LYS 91 lone 9 97 - 9 - 3723/5.0=2, 3713/5.0=2 HB3 LYS 14 - HE3 LYS 91 lone 9 97 - 9 - 3723/5.0=2, 3713/5.0=2 HG2 ARG 28 - HE2 LYS 31 lone 6 71 - 9 - 1.8/4564=1, 4564=1...(4) HG2 ARG 28 - HE3 LYS 31 lone 6 71 - 9 - 1.8/4564=1, 4564=1...(4) HG3 ARG 28 - HE2 LYS 31 lone 6 66 - 9 - 1.8/4564=1, 4564=1...(4) HG3 ARG 28 - HE3 LYS 31 lone 6 65 - 9 - 1.8/4564=1, 4564=1...(4) HG LEU 73 - HE3 LYS 91 lone 4 87 - 5 - HG LEU 73 - HE2 LYS 91 lone 4 87 - 5 - HG LEU 73 - HE2 LYS 31 lone 4 84 - 5 - ~6106=1, 2.1/6106=1 HG LEU 73 - HE3 LYS 31 lone 4 84 - 5 - ~6106=1, 2.1/6106=1 HB3 LYS 14 - HE2 LYS 31 lone 1 95 - 1 - HB2 LYS 14 - HE2 LYS 31 lone 1 95 - 1 - HB3 LYS 14 - HE3 LYS 31 lone 1 95 - 1 - HB2 LYS 14 - HE3 LYS 31 lone 1 95 - 1 - HG LEU 23 - HE2 LYS 91 lone 1 68 - 2 - HG LEU 23 - HE3 LYS 91 lone 1 68 - 2 - HG LEU 87 - HE3 LYS 91 lone 1 65 - 1 - HG LEU 87 - HE2 LYS 91 lone 1 65 - 1 - HG LEU 23 - HE2 LYS 31 lone 1 66 - 1 - HG LEU 23 - HE3 LYS 31 lone 1 65 - 1 - HG LEU 87 - HE2 LYS 31 lone 0 63 - 1 - HG LEU 87 - HE3 LYS 31 lone 0 63 - 1 - Peak 3775 from cnoeabs.peaks (2.96, 2.96, 41.86 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 91 + HE2 LYS 91 OK 100 100 - 100 HE3 LYS 91 + HE3 LYS 91 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 99 99 - 100 HE3 LYS 31 + HE3 LYS 31 OK 98 98 - 100 Peak 3776 from cnoeabs.peaks (2.96, 2.96, 41.86 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HE2 LYS 91 + HE2 LYS 91 OK 100 100 - 100 HE3 LYS 91 + HE3 LYS 91 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 99 99 - 100 HE3 LYS 31 + HE3 LYS 31 OK 98 98 - 100 Reference assignment not found: HE3 LYS 91 - HE2 LYS 91 Peak 3777 from cnoeabs.peaks (7.72, 2.96, 41.86 ppm; 6.20 A): 2 out of 8 assignments used, quality = 0.99: H LYS 91 + HE2 LYS 91 OK 90 100 - 90 - 6.7=80, 944/5.0=20...(7) * H LYS 91 + HE3 LYS 91 OK 90 100 - 90 - 6.7=80, 944/5.0=20...(7) H LYS 91 - HE2 LYS 31 OK 21 99 - 21 - 943/5.3=4, 944/3.0=3...(7) H LYS 91 - HE3 LYS 31 OK 21 99 - 21 - 943/5.3=4, 944/3.0=3...(7) H ASN 24 - HE2 LYS 91 OK 14 68 - 20 - 3707/5.0=5, 3717/5.0=4...(5) H ASN 24 - HE3 LYS 91 OK 14 68 - 20 - 3707/5.0=5, 3717/5.0=4...(5) H ASN 24 - HE2 LYS 31 lone 5 66 - 7 - H ASN 24 - HE3 LYS 31 lone 5 65 - 7 - Peak 3783 from cnoeabs.peaks (1.64, 2.96, 41.86 ppm; 3.49 A): 4 out of 36 assignments used, quality = 1.00: * HD2 LYS 91 + HE3 LYS 91 OK 100 100 - 100 - 3.0=100 HD2 LYS 91 + HE2 LYS 91 OK 100 100 - 100 - 3.0=100 HD3 LYS 91 + HE3 LYS 91 OK 100 100 - 100 - 3.0=100 HD3 LYS 91 + HE2 LYS 91 OK 100 100 - 100 - 3.0=100 HD2 LYS 91 - HE2 LYS 31 OK 16 99 - 17 - 3750/3.0=2, 3750/3.0=2...(5) HD3 LYS 91 - HE2 LYS 31 OK 16 99 - 17 - 3760/3.0=2, 3760/3.0=2...(5) HD2 LYS 91 - HE3 LYS 31 OK 16 99 - 17 - 3750/3.0=2, 3750/3.0=2...(5) HD3 LYS 91 - HE3 LYS 31 OK 16 99 - 17 - 3760/3.0=2, 3760/3.0=2...(5) HG2 ARG 28 - HE3 LYS 91 OK 11 76 - 14 - 1.8/4564=2, 4564=2...(5) HG2 ARG 28 - HE2 LYS 91 OK 11 76 - 14 - 1.8/4564=2, 4564=2...(5) HG3 ARG 28 - HE2 LYS 91 OK 10 71 - 14 - 1.8/4564=2, 4564=2...(4) HG3 ARG 28 - HE3 LYS 91 OK 10 71 - 14 - 1.8/4564=2, 4564=2...(4) HB3 LYS 14 - HE2 LYS 91 lone 9 98 - 9 - 3723/5.0=2, 3713/5.0=2 HB3 LYS 14 - HE3 LYS 91 lone 9 98 - 9 - 3723/5.0=2, 3713/5.0=2 HB2 LYS 14 - HE2 LYS 91 lone 9 98 - 9 - 3723/5.0=2, 3713/5.0=2 HB2 LYS 14 - HE3 LYS 91 lone 9 98 - 9 - 3723/5.0=2, 3713/5.0=2 HG2 ARG 28 - HE2 LYS 31 lone 7 73 - 9 - 1.8/4564=1, 4564=1...(4) HG2 ARG 28 - HE3 LYS 31 lone 7 73 - 9 - 1.8/4564=1, 4564=1...(4) HG3 ARG 28 - HE2 LYS 31 lone 6 68 - 9 - 1.8/4564=1, 4564=1...(4) HG3 ARG 28 - HE3 LYS 31 lone 6 68 - 9 - 1.8/4564=1, 4564=1...(4) HG LEU 73 - HE3 LYS 91 lone 4 85 - 5 - HG LEU 73 - HE2 LYS 91 lone 4 85 - 5 - HG LEU 73 - HE2 LYS 31 lone 4 82 - 5 - ~6106=1, 2.1/6106=1 HG LEU 73 - HE3 LYS 31 lone 4 82 - 5 - ~6106=1, 2.1/6106=1 HB3 LYS 14 - HE2 LYS 31 lone 1 96 - 1 - HB2 LYS 14 - HE2 LYS 31 lone 1 96 - 1 - HB3 LYS 14 - HE3 LYS 31 lone 1 96 - 1 - HB2 LYS 14 - HE3 LYS 31 lone 1 96 - 1 - HG LEU 23 - HE2 LYS 91 lone 1 65 - 2 - HG LEU 23 - HE3 LYS 91 lone 1 65 - 2 - HG LEU 23 - HE2 LYS 31 lone 0 63 - 1 - HG LEU 87 - HE2 LYS 91 lone 0 63 - 1 - HG LEU 87 - HE3 LYS 91 lone 0 63 - 1 - HG LEU 23 - HE3 LYS 31 lone 0 63 - 1 - HG LEU 87 - HE2 LYS 31 lone 0 60 - 1 - HG LEU 87 - HE3 LYS 31 lone 0 60 - 1 - Peak 3784 from cnoeabs.peaks (1.64, 2.96, 41.86 ppm; 3.49 A): 4 out of 36 assignments used, quality = 1.00: HD3 LYS 91 + HE2 LYS 91 OK 100 100 - 100 - 3.0=100 * HD3 LYS 91 + HE3 LYS 91 OK 100 100 - 100 - 3.0=100 HD2 LYS 91 + HE3 LYS 91 OK 100 100 - 100 - 3.0=100 HD2 LYS 91 + HE2 LYS 91 OK 100 100 - 100 - 3.0=100 HD3 LYS 91 - HE2 LYS 31 OK 16 99 - 17 - 3760/3.0=2, 3760/3.0=2...(5) HD2 LYS 91 - HE2 LYS 31 OK 16 99 - 17 - 3750/3.0=2, 3750/3.0=2...(5) HD3 LYS 91 - HE3 LYS 31 OK 16 99 - 17 - 3760/3.0=2, 3760/3.0=2...(5) HD2 LYS 91 - HE3 LYS 31 OK 16 99 - 17 - 3750/3.0=2, 3750/3.0=2...(5) HG2 ARG 28 - HE2 LYS 91 OK 11 73 - 14 - 1.8/4564=2, 4564=2...(5) HG2 ARG 28 - HE3 LYS 91 OK 11 73 - 14 - 1.8/4564=2, 4564=2...(5) HG3 ARG 28 - HE2 LYS 91 poor 10 68 - 14 - 1.8/4564=2, 4564=1...(4) HG3 ARG 28 - HE3 LYS 91 poor 10 68 - 14 - 1.8/4564=2, 4564=1...(4) HB2 LYS 14 - HE2 LYS 91 lone 9 97 - 9 - 3723/5.0=2, 3713/5.0=2 HB2 LYS 14 - HE3 LYS 91 lone 9 97 - 9 - 3723/5.0=2, 3713/5.0=2 HB3 LYS 14 - HE2 LYS 91 lone 9 97 - 9 - 3723/5.0=2, 3713/5.0=2 HB3 LYS 14 - HE3 LYS 91 lone 9 97 - 9 - 3723/5.0=2, 3713/5.0=2 HG2 ARG 28 - HE2 LYS 31 lone 6 71 - 9 - 1.8/4564=1, 4564=1...(4) HG2 ARG 28 - HE3 LYS 31 lone 6 71 - 9 - 1.8/4564=1, 4564=1...(4) HG3 ARG 28 - HE2 LYS 31 lone 6 66 - 9 - 1.8/4564=1, 4564=1...(4) HG3 ARG 28 - HE3 LYS 31 lone 6 65 - 9 - 1.8/4564=1, 4564=1...(4) HG LEU 73 - HE3 LYS 91 lone 4 87 - 5 - HG LEU 73 - HE2 LYS 91 lone 4 87 - 5 - HG LEU 73 - HE2 LYS 31 lone 4 84 - 5 - ~6106=1, 2.1/6106=1 HG LEU 73 - HE3 LYS 31 lone 4 84 - 5 - ~6106=1, 2.1/6106=1 HB3 LYS 14 - HE2 LYS 31 lone 1 95 - 1 - HB2 LYS 14 - HE2 LYS 31 lone 1 95 - 1 - HB3 LYS 14 - HE3 LYS 31 lone 1 95 - 1 - HB2 LYS 14 - HE3 LYS 31 lone 1 95 - 1 - HG LEU 23 - HE2 LYS 91 lone 1 68 - 2 - HG LEU 23 - HE3 LYS 91 lone 1 68 - 2 - HG LEU 87 - HE3 LYS 91 lone 1 65 - 1 - HG LEU 87 - HE2 LYS 91 lone 1 65 - 1 - HG LEU 23 - HE2 LYS 31 lone 1 66 - 1 - HG LEU 23 - HE3 LYS 31 lone 1 65 - 1 - HG LEU 87 - HE2 LYS 31 lone 0 63 - 1 - HG LEU 87 - HE3 LYS 31 lone 0 63 - 1 - Peak 3785 from cnoeabs.peaks (2.96, 2.96, 41.86 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HE2 LYS 91 + HE2 LYS 91 OK 100 100 - 100 HE3 LYS 91 + HE3 LYS 91 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 99 99 - 100 HE3 LYS 31 + HE3 LYS 31 OK 98 98 - 100 Reference assignment not found: HE2 LYS 91 - HE3 LYS 91 Peak 3786 from cnoeabs.peaks (2.96, 2.96, 41.86 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HE2 LYS 91 + HE2 LYS 91 OK 100 100 - 100 * HE3 LYS 91 + HE3 LYS 91 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 99 99 - 100 HE3 LYS 31 + HE3 LYS 31 OK 98 98 - 100 Peak 3787 from cnoeabs.peaks (8.10, 4.58, 56.14 ppm; 3.76 A): 1 out of 5 assignments used, quality = 1.00: * H MET 11 + HA HIS 10 OK 100 100 - 100 - 3.6=100 H LEU 30 - HA HIS 10 lone 3 98 - 3 - H THR 83 - HA HIS 10 lone 3 63 - 4 - H ALA 89 - HA HIS 10 lone 1 99 - 1 - H ALA 71 - HA HIS 10 lone 1 68 - 1 - Peak 3788 from cnoeabs.peaks (8.10, 3.06, 30.02 ppm; 6.20 A): 2 out of 10 assignments used, quality = 1.00: * H MET 11 + HB2 HIS 10 OK 100 100 - 100 - 4.2=100 H MET 11 + HB3 HIS 10 OK 100 100 - 100 - 4.2=100 H LEU 30 - HB2 HIS 10 lone 7 98 - 7 - 5/4.0=2, 3787/3.0=1 H LEU 30 - HB3 HIS 10 lone 7 98 - 7 - 5/4.0=2, 3787/3.0=1 H THR 83 - HB2 HIS 10 lone 4 63 - 6 - 3787/3.0=1 H THR 83 - HB3 HIS 10 lone 4 63 - 6 - 3787/3.0=1 H ALA 89 - HB2 HIS 10 lone 3 99 - 4 - H ALA 89 - HB3 HIS 10 lone 3 99 - 4 - H ALA 71 - HB2 HIS 10 lone 2 68 - 3 - H ALA 71 - HB3 HIS 10 lone 2 68 - 3 - Peak 3789 from cnoeabs.peaks (8.10, 3.06, 30.02 ppm; 6.20 A): 2 out of 10 assignments used, quality = 1.00: * H MET 11 + HB3 HIS 10 OK 100 100 - 100 - 4.2=100 H MET 11 + HB2 HIS 10 OK 100 100 - 100 - 4.2=100 H LEU 30 - HB3 HIS 10 lone 7 98 - 7 - 5/4.0=2, 3787/3.0=1 H LEU 30 - HB2 HIS 10 lone 7 98 - 7 - 5/4.0=2, 3787/3.0=1 H THR 83 - HB3 HIS 10 lone 4 63 - 6 - 3787/3.0=1 H THR 83 - HB2 HIS 10 lone 4 63 - 6 - 3787/3.0=1 H ALA 89 - HB3 HIS 10 lone 3 99 - 4 - H ALA 89 - HB2 HIS 10 lone 3 99 - 4 - H ALA 71 - HB3 HIS 10 lone 2 68 - 3 - H ALA 71 - HB2 HIS 10 lone 2 68 - 3 - Peak 3791 from cnoeabs.peaks (7.86, 4.32, 55.35 ppm; 3.34 A): 3 out of 8 assignments used, quality = 0.92: * H LEU 12 + HA MET 11 OK 89 100 - 89 - 3.6=82, 951/3.0=11...(12) H LEU 12 + HA LYS 44 OK 13 69 - 19 - 7=6, 4.6/4265=2...(10) H LYS 65 + HA MET 11 OK 11 97 - 12 - 1159/4.9=3, 951/3.0=2 H LYS 65 - HA LYS 44 poor 9 63 - 14 - ~4793=2, 2.9/4795=2...(5) H PHE 80 - HA MET 11 lone 9 99 - 9 - 1159/4.9=2, 951/3.0=1 HD21 ASN 24 - HA MET 11 lone 6 93 - 6 - 1159/4.9=2 H PHE 80 - HA LYS 44 lone 1 67 - 2 - HD21 ASN 24 - HA LYS 44 lone 1 60 - 1 - Peak 3792 from cnoeabs.peaks (7.86, 1.89, 32.10 ppm; 5.11 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 12 + HB2 MET 11 OK 100 100 - 100 - 4.2=100 H LEU 12 + HB3 MET 11 OK 100 100 - 100 - 4.2=100 H PHE 80 - HB2 MET 11 OK 23 99 - 23 - 3794/3.0=4, 3795/3.0=3...(8) H PHE 80 - HB3 MET 11 OK 22 99 - 23 - 3794/3.0=4, 3795/3.0=3...(8) H LYS 65 - HB2 MET 11 OK 18 97 - 19 - 3791/3.0=4, 3795/3.0=3...(7) H LYS 65 - HB3 MET 11 OK 18 96 - 19 - 3791/3.0=4, 3795/3.0=3...(7) HD21 ASN 24 - HB2 MET 11 lone 8 93 - 8 - 3791/3.0=2, 951/4.0=2...(4) HD21 ASN 24 - HB3 MET 11 lone 8 93 - 8 - 3791/3.0=2, 951/4.0=2...(4) Peak 3793 from cnoeabs.peaks (7.86, 1.89, 32.10 ppm; 5.11 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 12 + HB3 MET 11 OK 100 100 - 100 - 4.2=100 H LEU 12 + HB2 MET 11 OK 100 100 - 100 - 4.2=100 H PHE 80 - HB2 MET 11 OK 22 99 - 23 - 3794/3.0=4, 3795/3.0=3...(8) H PHE 80 - HB3 MET 11 OK 22 99 - 23 - 3794/3.0=4, 3795/3.0=3...(8) H LYS 65 - HB2 MET 11 OK 18 96 - 19 - 3791/3.0=4, 3795/3.0=3...(7) H LYS 65 - HB3 MET 11 OK 18 97 - 19 - 3791/3.0=4, 3795/3.0=3...(7) HD21 ASN 24 - HB3 MET 11 lone 8 93 - 8 - 3791/3.0=2, 951/4.0=2...(4) HD21 ASN 24 - HB2 MET 11 lone 8 93 - 8 - 3791/3.0=2, 951/4.0=2...(4) Peak 3794 from cnoeabs.peaks (7.86, 2.31, 31.62 ppm; 5.20 A): 5 out of 8 assignments used, quality = 0.94: * H LEU 12 + HG2 MET 11 OK 66 100 - 66 - 7/4.0=30, 951/5.0=18...(5) H PHE 80 + HB2 PRO 81 OK 60 69 - 88 - 5879/3.0=33, 5906/3.0=28...(11) H LEU 12 + HB2 PRO 81 OK 27 72 - 38 - 3.6/1121=9, 4.6/518=6...(8) H PHE 80 + HG2 MET 11 OK 25 99 - 25 - 4.8/3450=5, 4.8/3457=5...(7) H LYS 65 + HG2 MET 11 OK 19 97 - 20 - 3795/1.8=4, 3791/4.0=3...(6) HD21 ASN 24 - HB2 PRO 81 poor 9 62 - 15 - 5911/3.0=6, 5906/3.0=6 H LYS 65 - HB2 PRO 81 poor 9 65 - 13 - 5911/3.0=4, 5906/3.0=4, ~5457=1 HD21 ASN 24 - HG2 MET 11 lone 8 93 - 9 - 3795/1.8=2, 3791/4.0=2 Peak 3795 from cnoeabs.peaks (7.86, 2.25, 31.62 ppm; 5.84 A): 5 out of 8 assignments used, quality = 0.91: * H LEU 12 + HG3 MET 11 OK 77 100 - 77 - 7/4.0=34, 951/5.0=22...(6) H LEU 12 + HB2 PRO 84 OK 34 86 - 40 - 11=10, 3.6/1122=10...(7) H LYS 65 + HG3 MET 11 OK 21 97 - 22 - 3794/1.8=4, 3791/4.0=4...(8) H PHE 80 + HG3 MET 11 OK 20 99 - 20 - 3794/1.8=5, 3792/3.0=3...(5) H PHE 80 + HB2 PRO 84 OK 12 84 - 14 - 5877/1.8=3, ~5913=2...(4) HD21 ASN 24 - HG3 MET 11 lone 9 93 - 10 - 3791/4.0=2, 3794/1.8=2...(5) H LYS 65 - HB2 PRO 84 lone 7 80 - 8 - 290/4.3=2 HD21 ASN 24 - HB2 PRO 84 lone 3 76 - 4 - Peak 3797 from cnoeabs.peaks (8.44, 4.61, 53.77 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * H THR 13 + HA LEU 12 OK 100 100 - 100 - 3.6=100 Peak 3798 from cnoeabs.peaks (8.44, 1.60, 43.73 ppm; 5.21 A): 1 out of 1 assignment used, quality = 1.00: * H THR 13 + HB2 LEU 12 OK 100 100 - 100 - 4.6=100 Peak 3799 from cnoeabs.peaks (8.44, 1.38, 43.73 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * H THR 13 + HB3 LEU 12 OK 100 100 - 100 - 4.6=100 Peak 3801 from cnoeabs.peaks (8.44, 0.74, 24.91 ppm; 5.61 A): 1 out of 1 assignment used, quality = 0.86: * H THR 13 + QD1 LEU 12 OK 86 100 - 86 - 3802/2.1=49, 3.0/4265=22...(11) Peak 3802 from cnoeabs.peaks (8.44, 0.66, 22.70 ppm; 4.28 A): 1 out of 1 assignment used, quality = 0.78: * H THR 13 + QD2 LEU 12 OK 78 100 - 78 - 3.6/1165=23, 19=22...(13) Peak 3803 from cnoeabs.peaks (8.88, 4.33, 60.93 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 14 + HA THR 13 OK 100 100 - 100 - 3.6=100 H SER 62 - HA THR 13 OK 21 96 - 22 - 3804/3.0=8, 3.6/1203=7 Peak 3804 from cnoeabs.peaks (8.88, 4.48, 70.50 ppm; 4.71 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 14 + HB THR 13 OK 100 100 - 100 - 4.3=100 H SER 62 - HB THR 13 OK 44 96 - 46 - 278=14, 5388/2.1=10...(7) Peak 3805 from cnoeabs.peaks (8.88, 1.10, 21.44 ppm; 4.77 A): 3 out of 6 assignments used, quality = 1.00: * H LYS 14 + QG2 THR 13 OK 100 100 - 100 - 4.1=100 H SER 62 + QG2 THR 13 OK 51 96 - 54 - 3.6/5378=13, 3804/2.1=12...(8) H SER 62 + QG1 VAL 66 OK 47 73 - 64 - 3.6/5378=17, 4.6/5394=16...(8) H LYS 14 - QG1 VAL 66 OK 42 80 - 52 - 6170/2.1=10, 4.3/1208=8...(14) H LYS 14 - QG2 THR 38 poor 7 64 - 11 - 3.6/1204=2, 4.6/531=2...(4) H SER 62 - QG2 THR 38 lone 2 57 - 3 - Peak 3806 from cnoeabs.peaks (7.93, 4.10, 57.39 ppm; 5.07 A): 1 out of 4 assignments used, quality = 1.00: * H HIS 15 + HA LYS 14 OK 100 100 - 100 - 3.6=100 H HIS 15 - HA LYS 91 OK 21 97 - 21 - 25=6, 4.5/1213=6...(6) HD21 ASN 18 - HA LYS 91 lone 3 90 - 3 - HD21 ASN 18 - HA LYS 14 lone 3 96 - 3 - Peak 3807 from cnoeabs.peaks (7.93, 1.65, 31.92 ppm; 5.80 A): 2 out of 4 assignments used, quality = 1.00: H HIS 15 + HB3 LYS 14 OK 100 100 - 100 - 4.7=100 * H HIS 15 + HB2 LYS 14 OK 100 100 - 100 - 4.7=100 HD21 ASN 18 - HB3 LYS 14 lone 3 96 - 3 - HD21 ASN 18 - HB2 LYS 14 lone 3 96 - 3 - Peak 3808 from cnoeabs.peaks (7.93, 1.65, 31.92 ppm; 5.80 A): 2 out of 4 assignments used, quality = 1.00: * H HIS 15 + HB3 LYS 14 OK 100 100 - 100 - 4.7=100 H HIS 15 + HB2 LYS 14 OK 100 100 - 100 - 4.7=100 HD21 ASN 18 - HB3 LYS 14 lone 3 96 - 3 - HD21 ASN 18 - HB2 LYS 14 lone 3 96 - 3 - Peak 3815 from cnoeabs.peaks (8.29, 4.72, 55.05 ppm; 4.76 A): 1 out of 7 assignments used, quality = 1.00: * H GLY 16 + HA HIS 15 OK 100 100 - 100 - 3.6=100 H ALA 60 - HA HIS 15 OK 25 83 - 31 - 5354/3.0=12, 3817/3.0=7...(5) H LYS 64 - HA HIS 15 lone 7 100 - 7 - 4.6/281=3, 3816/3.0=2 H LEU 85 - HA HIS 15 lone 3 87 - 3 - H VAL 66 - HA HIS 15 lone 2 63 - 3 - H GLU 37 - HA HIS 15 lone 2 63 - 3 - H GLU 77 - HA HIS 15 lone 1 65 - 2 - Peak 3816 from cnoeabs.peaks (8.29, 3.33, 29.33 ppm; 5.25 A): 2 out of 7 assignments used, quality = 1.00: * H GLY 16 + HB2 HIS 15 OK 100 100 - 100 - 4.5=100 H ALA 60 + HB2 HIS 15 OK 51 83 - 62 - 3.5/5325=14, 5354=14...(11) H LYS 64 - HB2 HIS 15 lone 9 100 - 9 - 3815/3.0=2, 3817/1.8=2 H LEU 85 - HB2 HIS 15 lone 6 87 - 6 - 3817/1.8=1 H GLU 37 - HB2 HIS 15 lone 3 63 - 5 - H VAL 66 - HB2 HIS 15 lone 3 63 - 4 - H GLU 77 - HB2 HIS 15 lone 2 65 - 3 - Peak 3817 from cnoeabs.peaks (8.29, 2.96, 29.33 ppm; 5.66 A): 1 out of 7 assignments used, quality = 1.00: * H GLY 16 + HB3 HIS 15 OK 100 100 - 100 - 4.5=100 H ALA 60 - HB3 HIS 15 OK 44 83 - 53 - 5354/1.8=14, 2.9/5367=12...(8) H LYS 64 - HB3 HIS 15 lone 9 100 - 9 - 3816/1.8=2, 3815/3.0=2 H LEU 85 - HB3 HIS 15 lone 5 87 - 6 - 3816/1.8=1 H GLU 37 - HB3 HIS 15 lone 4 63 - 6 - 4.6/4291=2 H VAL 66 - HB3 HIS 15 lone 4 63 - 6 - H GLU 77 - HB3 HIS 15 lone 2 65 - 4 - Peak 3819 from cnoeabs.peaks (7.60, 3.67, 45.70 ppm; 4.65 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 17 + HA2 GLY 16 OK 100 100 - 100 - 3.6=100 H VAL 20 - HA2 GLY 16 OK 37 100 - 37 - 3820/1.8=11, 956/3.0=7...(8) HD21 ASN 63 - HA2 GLY 16 OK 16 93 - 17 - 956/3.0=7, 3820/1.8=4, ~5413=3 H LYS 44 - HA2 GLY 16 lone 4 68 - 7 - 3820/1.8=1 Peak 3820 from cnoeabs.peaks (7.60, 3.97, 45.70 ppm; 4.57 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 17 + HA3 GLY 16 OK 100 100 - 100 - 3.6=100 H VAL 20 - HA3 GLY 16 OK 45 100 - 45 - 3819/1.8=9, 52=7...(13) HD21 ASN 63 - HA3 GLY 16 OK 18 93 - 19 - 956/3.0=7, 3819/1.8=4...(4) H LYS 44 - HA3 GLY 16 lone 5 68 - 7 - 3819/1.8=1 Peak 3821 from cnoeabs.peaks (8.78, 4.45, 54.36 ppm; 3.57 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 18 + HA LYS 17 OK 100 100 - 100 - 3.6=100 H PHE 57 - HA LYS 17 OK 18 93 - 19 - 43=4, 4.6/5223=3...(7) H LEU 34 - HA LYS 17 OK 14 99 - 14 - 667/3.9=2, 4.7/1360=2...(9) H GLY 54 - HA LYS 17 lone 4 100 - 4 - Peak 3822 from cnoeabs.peaks (8.78, 1.72, 34.03 ppm; 4.21 A): 2 out of 12 assignments used, quality = 0.99: * H ASN 18 + HB2 LYS 17 OK 91 100 - 91 - 4.6=76, 43/3.0=31...(12) H ASN 18 + HB3 LYS 17 OK 91 100 - 91 - 4.6=76, 43/3.0=31...(12) H LEU 34 - HB2 LYS 17 OK 26 99 - 26 - ~2104=4, 3821/3.0=4...(9) H LEU 34 - HB3 LYS 17 OK 25 99 - 26 - ~2104=4, 3821/3.0=4...(9) H PHE 57 - HB2 LYS 17 OK 22 93 - 24 - 3821/3.0=5, 3825/2.9=3...(9) H PHE 57 - HB3 LYS 17 OK 22 93 - 24 - 3821/3.0=5, 3825/2.9=3...(9) H GLY 54 - HB3 LYS 31 poor 8 71 - 11 - 5155/1.8=2, 5156=2, 3.6/4600=2 H LEU 34 - HB3 LYS 31 poor 7 68 - 11 - 4.2/6124=2, 664/3.0=2...(4) H GLY 54 - HB2 LYS 17 lone 6 100 - 6 - 3821/3.0=1 H GLY 54 - HB3 LYS 17 lone 6 100 - 6 - 3821/3.0=1 H PHE 57 - HB3 LYS 31 lone 6 62 - 9 - 5250/1.8=1 H ASN 18 - HB3 LYS 31 lone 5 72 - 7 - Peak 3823 from cnoeabs.peaks (8.78, 1.72, 34.03 ppm; 4.21 A): 2 out of 12 assignments used, quality = 0.99: * H ASN 18 + HB3 LYS 17 OK 91 100 - 91 - 4.6=76, 43/3.0=31...(12) H ASN 18 + HB2 LYS 17 OK 91 100 - 91 - 4.6=76, 43/3.0=31...(12) H LEU 34 - HB2 LYS 17 OK 26 99 - 26 - ~2104=4, 3821/3.0=4...(9) H LEU 34 - HB3 LYS 17 OK 26 99 - 26 - ~2104=4, 3821/3.0=4...(9) H PHE 57 - HB2 LYS 17 OK 22 93 - 24 - 3821/3.0=5, 3825/2.9=3...(9) H PHE 57 - HB3 LYS 17 OK 22 93 - 24 - 3821/3.0=5, 3825/2.9=3...(9) H GLY 54 - HB3 LYS 31 poor 8 74 - 11 - 5156=2, 5155/1.8=2, 3.6/4600=2 H LEU 34 - HB3 LYS 31 poor 8 70 - 11 - 4.2/6124=2, 664/3.0=2...(4) H GLY 54 - HB2 LYS 17 lone 6 100 - 6 - 3821/3.0=1 H GLY 54 - HB3 LYS 17 lone 6 100 - 6 - 3821/3.0=1 H PHE 57 - HB3 LYS 31 lone 6 64 - 10 - 5250/1.8=1 H ASN 18 - HB3 LYS 31 lone 5 74 - 7 - Peak 3824 from cnoeabs.peaks (8.78, 1.24, 24.91 ppm; 4.63 A): 2 out of 8 assignments used, quality = 0.99: * H ASN 18 + HG2 LYS 17 OK 95 100 - 95 - 4.9=84, 43/3.9=29...(13) H LEU 34 + QD1 LEU 34 OK 72 72 - 99 - 4.7=98, 666/2.1=21...(12) H LEU 34 - HG2 LYS 17 OK 39 99 - 40 - 3.0/2104=6, 667=4...(15) H PHE 57 - QD1 LEU 34 OK 35 66 - 53 - 2096/2.1=12, 2089/2.1=10...(11) H ASN 18 - QD1 LEU 34 OK 32 76 - 42 - 2096/2.1=6, 2089/2.1=6...(12) H PHE 57 - HG2 LYS 17 OK 29 93 - 31 - 3821/3.9=5, 252/1.8=4...(10) H GLY 54 - QD1 LEU 34 OK 21 76 - 27 - 5158/3.1=8, 2096/2.1=5...(6) H GLY 54 - HG2 LYS 17 lone 7 100 - 7 - Peak 3825 from cnoeabs.peaks (8.78, 1.27, 24.91 ppm; 5.12 A): 1 out of 8 assignments used, quality = 1.00: * H ASN 18 + HG3 LYS 17 OK 100 100 - 100 - 4.9=100 H PHE 57 - HG3 LYS 17 OK 43 93 - 46 - 4.6/2624=6, 3.6/2614=6...(14) H PHE 57 - HG3 LYS 56 OK 42 50 - 83 - 3991/4.0=19, 251/1.8=15...(18) H LEU 34 - HG3 LYS 17 OK 41 99 - 42 - ~2104=8, 667/1.8=5...(12) H LEU 34 - HG3 LYS 56 OK 37 56 - 66 - 666/1.8=17, 3992/2.9=9...(16) H ASN 18 - HG3 LYS 56 OK 33 59 - 55 - 3.6/1334=8, 47=8...(15) H GLY 54 - HG3 LYS 56 OK 21 59 - 36 - 3994/1.8=6, 988/4.7=5...(12) H GLY 54 - HG3 LYS 17 OK 10 100 - 10 - 3821/3.9=1 Peak 3826 from cnoeabs.peaks (8.78, 1.51, 28.78 ppm; 5.31 A): 6 out of 12 assignments used, quality = 1.00: H ASN 18 + HD3 LYS 17 OK 74 100 - 74 - 43/5.1=27, 45/3.7=15...(13) * H ASN 18 + HD2 LYS 17 OK 74 100 - 74 - 43/5.1=27, 45/3.7=15...(13) H PHE 57 + HD2 LYS 56 OK 57 66 - 87 - 3991/5.3=15, 251/3.0=13...(26) H LEU 34 + HD2 LYS 56 OK 53 72 - 73 - 666/3.0=16, 3992/3.4=9...(21) H LEU 34 + HD2 LYS 17 OK 49 99 - 50 - ~2104=7, 667/3.0=5...(17) H LEU 34 + HD3 LYS 17 OK 49 99 - 50 - ~2104=7, 667/3.0=5...(17) H PHE 57 - HD3 LYS 17 OK 45 93 - 48 - 4.6/2631=5, 3.6/2611=5...(18) H PHE 57 - HD2 LYS 17 OK 45 93 - 48 - 4.6/2631=5, 3.6/2611=5...(18) H ASN 18 - HD2 LYS 56 OK 38 76 - 50 - 3992/3.4=6, 47/3.0=6...(16) H GLY 54 - HD2 LYS 56 OK 30 76 - 40 - 235/3.0=5, 3994/3.0=5...(11) H GLY 54 - HD2 LYS 17 OK 13 100 - 13 - 4.5/5167=1, 3825/3.0=1 H GLY 54 - HD3 LYS 17 OK 13 100 - 13 - 4.5/5167=1, 3825/3.0=1 Peak 3830 from cnoeabs.peaks (7.59, 4.02, 50.75 ppm; 5.11 A): 2 out of 4 assignments used, quality = 0.96: * H VAL 20 + HD2 PRO 19 OK 93 100 - 93 - 57=33, 3.5/1456=32...(18) H LYS 17 + HD2 PRO 19 OK 50 100 - 50 - 3835/2.3=10, 3836/2.3=9...(12) HD21 ASN 63 - HD2 PRO 19 OK 38 97 - 39 - 3831/1.8=7, 3835/2.3=6...(11) H LYS 44 - HD2 PRO 19 OK 17 78 - 21 - 3835/2.3=3, 3836/2.3=3...(8) Peak 3831 from cnoeabs.peaks (7.59, 3.79, 50.75 ppm; 4.42 A): 3 out of 8 assignments used, quality = 0.95: * H VAL 20 + HD3 PRO 19 OK 87 100 - 87 - 58=29, 57/1.8=27...(19) H LYS 17 + HD3 PRO 19 OK 41 100 - 41 - 3830/1.8=8, 3835/2.3=7...(11) H VAL 20 + HD2 PRO 84 OK 37 73 - 51 - 58=11, 4.9/1478=7...(17) HD21 ASN 63 - HD3 PRO 19 OK 33 97 - 34 - 3830/1.8=6, 3835/2.3=5...(12) H LYS 17 - HD2 PRO 84 OK 16 72 - 22 - 40/1.8=7, 3.6/3528=3...(6) H LYS 44 - HD3 PRO 19 OK 14 78 - 18 - 3830/1.8=3, 3835/2.3=2...(6) HD21 ASN 63 - HD2 PRO 84 lone 4 68 - 6 - H LYS 44 - HD2 PRO 84 lone 3 50 - 6 - 4794/4.5=1 Peak 3832 from cnoeabs.peaks (7.59, 3.99, 64.88 ppm; 4.70 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 20 + HA PRO 19 OK 100 100 - 100 - 3.5=100 H LYS 17 + HA PRO 19 OK 47 100 - 47 - 41=10, 3830/3.6=7...(14) HD21 ASN 63 - HA PRO 19 OK 27 97 - 28 - 3830/3.6=5, 3831/3.6=4...(7) H LYS 44 - HA PRO 19 OK 12 78 - 16 - 3830/3.6=2, 3835/3.8=2...(6) Peak 3833 from cnoeabs.peaks (7.59, 1.98, 32.46 ppm; 4.48 A): 2 out of 8 assignments used, quality = 1.00: * H VAL 20 + HB2 PRO 19 OK 100 100 - 100 - 3.5=100 H VAL 20 + HB3 PRO 19 OK 100 100 - 100 - 3.5=100 H LYS 17 - HB2 PRO 19 OK 39 100 - 39 - 3832/2.3=8, 3835/2.3=8...(7) H LYS 17 - HB3 PRO 19 OK 39 100 - 39 - 3832/2.3=8, 3835/2.3=8...(7) HD21 ASN 63 - HB2 PRO 19 OK 25 97 - 26 - 3830/3.0=5, 3835/2.3=5...(6) HD21 ASN 63 - HB3 PRO 19 OK 25 97 - 26 - 3830/3.0=5, 3835/2.3=5...(6) H LYS 44 - HB2 PRO 19 OK 12 78 - 15 - 3835/2.3=3, 3830/3.0=2...(6) H LYS 44 - HB3 PRO 19 OK 12 77 - 15 - 3835/2.3=3, 3830/3.0=2...(6) Peak 3834 from cnoeabs.peaks (7.59, 1.98, 32.46 ppm; 4.43 A): 2 out of 8 assignments used, quality = 1.00: * H VAL 20 + HB3 PRO 19 OK 100 100 - 100 - 3.5=100 H VAL 20 + HB2 PRO 19 OK 100 100 - 100 - 3.5=100 H LYS 17 - HB3 PRO 19 OK 39 100 - 39 - 3832/2.3=8, 3835/2.3=7...(7) H LYS 17 - HB2 PRO 19 OK 38 100 - 39 - 3832/2.3=8, 3835/2.3=7...(7) HD21 ASN 63 - HB3 PRO 19 OK 25 97 - 25 - 3830/3.0=5, 3835/2.3=5...(6) HD21 ASN 63 - HB2 PRO 19 OK 24 97 - 25 - 3830/3.0=5, 3835/2.3=5...(6) H LYS 44 - HB3 PRO 19 OK 12 78 - 15 - 3835/2.3=2, 3830/3.0=2...(6) H LYS 44 - HB2 PRO 19 OK 12 77 - 15 - 3835/2.3=2, 3830/3.0=2...(6) Peak 3835 from cnoeabs.peaks (7.59, 1.96, 28.00 ppm; 4.74 A): 1 out of 4 assignments used, quality = 0.98: * H VAL 20 + HG2 PRO 19 OK 98 100 - 98 - 4.9=91, 57/2.3=28...(16) H LYS 17 - HG2 PRO 19 OK 42 100 - 42 - 3830/2.3=8, 3836/1.8=8...(9) HD21 ASN 63 - HG2 PRO 19 OK 27 97 - 27 - 3830/2.3=6, 3836/1.8=6...(6) H LYS 44 - HG2 PRO 19 OK 14 78 - 17 - 3830/2.3=3, 3836/1.8=3...(6) Peak 3836 from cnoeabs.peaks (7.59, 1.87, 28.00 ppm; 5.26 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 20 + HG3 PRO 19 OK 100 100 - 100 - 4.9=100 H LYS 17 + HG3 PRO 19 OK 47 100 - 48 - 3835/1.8=11, 3830/2.3=10...(10) HD21 ASN 63 - HG3 PRO 19 OK 32 97 - 33 - 3830/2.3=8, 3835/1.8=7...(7) H LYS 44 - HG3 PRO 19 OK 15 78 - 20 - 3835/1.8=3, 3830/2.3=3...(6) Peak 3837 from cnoeabs.peaks (7.12, 3.38, 65.78 ppm; 4.34 A): 2 out of 3 assignments used, quality = 1.00: * H MET 21 + HA VAL 20 OK 100 100 - 100 - 3.5=100 HD22 ASN 18 + HA VAL 20 OK 56 100 - 56 - 958/3.0=16, 3838/3.0=13...(11) HD2 HIS 42 - HA VAL 20 lone 2 65 - 3 - Peak 3838 from cnoeabs.peaks (7.12, 1.94, 31.44 ppm; 3.43 A): 2 out of 6 assignments used, quality = 0.84: * H MET 21 + HB VAL 20 OK 72 100 - 72 - 4.4=46, 3839/2.1=16...(9) HD22 ASN 18 + HB VAL 20 OK 41 100 - 41 - 3839/2.1=10, 3840/2.1=10...(8) H MET 21 - HB2 GLN 58 poor 7 66 - 10 - 61=2, 959/4.6=2...(6) HD22 ASN 18 - HB2 GLN 58 lone 2 66 - 3 - HD2 HIS 42 - HB VAL 20 lone 1 65 - 2 - HD2 HIS 42 - HB2 GLN 58 lone 0 36 - 1 - Peak 3839 from cnoeabs.peaks (7.12, 0.74, 20.54 ppm; 3.91 A): 2 out of 3 assignments used, quality = 0.97: * H MET 21 + QG1 VAL 20 OK 94 100 - 94 - 4.3=78, 3838/2.1=24...(16) HD22 ASN 18 + QG1 VAL 20 OK 59 100 - 59 - 3838/2.1=13, 3840/2.1=13...(15) HD2 HIS 42 - QG1 VAL 20 lone 2 65 - 3 - Peak 3840 from cnoeabs.peaks (7.12, 0.73, 22.47 ppm; 4.12 A): 2 out of 3 assignments used, quality = 0.99: * H MET 21 + QG2 VAL 20 OK 98 100 - 98 - 4.3=91, 3838/2.1=25...(16) HD22 ASN 18 + QG2 VAL 20 OK 64 100 - 64 - 3839/2.1=15, 3838/2.1=14...(17) HD2 HIS 42 - QG2 VAL 20 lone 2 65 - 3 - Peak 3841 from cnoeabs.peaks (8.23, 4.14, 57.74 ppm; 4.22 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 22 + HA MET 21 OK 100 100 - 100 - 3.6=100 H ASP 88 - HA MET 21 OK 29 89 - 33 - 959/3.0=7, 65=6...(9) H LYS 56 - HA MET 21 OK 20 60 - 34 - 4.7/1509=6, 959/3.0=5...(10) HE21 GLN 58 - HA MET 21 OK 17 87 - 19 - 959/3.0=4, 3843/3.0=3...(6) H ALA 86 - HA MET 21 OK 14 89 - 16 - 959/3.0=2, 3843/3.0=2...(6) H VAL 66 - HA MET 21 lone 5 60 - 9 - Peak 3842 from cnoeabs.peaks (8.23, 2.06, 32.01 ppm; 4.00 A): 6 out of 12 assignments used, quality = 0.95: * H GLU 22 + HB2 MET 21 OK 86 100 - 86 - 4.6=64, 3843/1.8=19...(13) H ASP 88 + HB2 MET 21 OK 24 89 - 27 - 3843/1.8=6, 959/4.0=5...(7) H LYS 56 + HB2 MET 21 OK 18 60 - 30 - 3843/1.8=5, 4.7/1516=4...(11) H LYS 56 + HB2 GLN 55 OK 16 19 - 80 - 4.6=64, 240/3.0=18...(7) HE21 GLN 58 + HB2 MET 21 OK 15 87 - 18 - 3843/1.8=3, 3844/2.9=3...(7) H ALA 86 + HB2 MET 21 OK 12 89 - 14 - 3843/1.8=3, 3845/2.9=2...(6) H GLU 22 - HB2 GLN 55 poor 10 42 - 24 - 4446/3.0=5, 67/2.9=4...(10) H VAL 66 - HB2 MET 21 lone 4 60 - 7 - HE21 GLN 58 - HB2 GLN 55 lone 3 31 - 8 - 5302=2, 5302/2.9=2, 987/3.9=1 H ASP 88 - HB2 GLN 55 lone 3 32 - 8 - 4446/3.0=1, 414/4.6=1, 67/2.9=1 H VAL 66 - HB2 GLN 55 poor 2 19 - 11 - 303/1.8=3, 5477/4.5=2...(4) H ALA 86 - HB2 GLN 55 lone 1 32 - 4 - 1014/4.6=1 Peak 3843 from cnoeabs.peaks (8.23, 2.15, 32.01 ppm; 4.09 A): 5 out of 6 assignments used, quality = 0.95: * H GLU 22 + HB3 MET 21 OK 87 100 - 87 - 4.6=69, 3842/1.8=17...(11) H ASP 88 + HB3 MET 21 OK 26 89 - 29 - 67=5, 959/4.0=5...(7) H LYS 56 + HB3 MET 21 OK 24 60 - 40 - 3.6/2573=5, 4.7/2605=5...(12) HE21 GLN 58 + HB3 MET 21 OK 15 87 - 17 - 3842/1.8=3, 3844/2.9=3...(6) H ALA 86 + HB3 MET 21 OK 12 89 - 14 - 3842/1.8=3, 3845/2.9=2...(6) H VAL 66 - HB3 MET 21 lone 4 60 - 7 - Peak 3844 from cnoeabs.peaks (8.23, 2.63, 32.07 ppm; 4.37 A): 5 out of 6 assignments used, quality = 0.89: * H GLU 22 + HG2 MET 21 OK 75 100 - 75 - 3.6/1510=24, 4.6/575=20...(12) H ASP 88 + HG2 MET 21 OK 26 89 - 29 - 3845/1.8=6, 3843/2.9=5...(7) H LYS 56 + HG2 MET 21 OK 20 60 - 34 - 4.7/1530=7, 3843/2.9=5...(10) HE21 GLN 58 + HG2 MET 21 OK 16 87 - 19 - 3845/1.8=4, 3843/2.9=3...(6) H ALA 86 + HG2 MET 21 OK 13 89 - 14 - 3845/1.8=3, 3843/2.9=3...(6) H VAL 66 - HG2 MET 21 lone 4 60 - 7 - 3845/1.8=1 Peak 3845 from cnoeabs.peaks (8.23, 2.46, 32.07 ppm; 4.53 A): 5 out of 6 assignments used, quality = 0.90: * H GLU 22 + HG3 MET 21 OK 75 100 - 75 - 3.6/1535=23, 3844/1.8=20...(13) H ASP 88 + HG3 MET 21 OK 27 89 - 31 - 3844/1.8=7, 3843/2.9=6...(7) H LYS 56 + HG3 MET 21 OK 21 60 - 35 - 4.7/1537=7, 3844/1.8=5...(10) HE21 GLN 58 + HG3 MET 21 OK 17 87 - 20 - 3844/1.8=4, 3843/2.9=3...(6) H ALA 86 + HG3 MET 21 OK 14 89 - 16 - 3844/1.8=3, 3843/2.9=3...(6) H VAL 66 - HG3 MET 21 lone 5 60 - 7 - 3844/1.8=1 Peak 3846 from cnoeabs.peaks (8.23, 2.06, 17.06 ppm; 6.20 A): 3 out of 6 assignments used, quality = 0.94: * H GLU 22 + QE MET 21 OK 86 100 - 86 - 4.6/1544=32, 3.6/1542=26...(14) H ASP 88 + QE MET 21 OK 37 89 - 42 - 3845/3.4=8, 3844/3.4=8...(8) H LYS 56 + QE MET 21 OK 35 60 - 58 - 4.7/1544=12, 5.8/4444=10...(16) HE21 GLN 58 - QE MET 21 OK 25 87 - 28 - 3845/3.4=5, 3844/3.4=5...(7) H ALA 86 - QE MET 21 OK 20 89 - 23 - 3845/3.4=4, 3844/3.4=4...(6) H VAL 66 - QE MET 21 poor 8 60 - 13 - 3845/3.4=1, 3844/3.4=1...(4) Peak 3847 from cnoeabs.peaks (8.38, 3.89, 59.27 ppm; 4.30 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 23 + HA GLU 22 OK 100 100 - 100 - 3.6=100 H ASN 90 - HA GLU 22 OK 21 99 - 21 - 3848/3.0=4, 960/3.0=4...(8) H GLY 39 - HA GLU 22 OK 20 99 - 20 - 3848/3.0=5, 3849/3.0=4...(6) H GLY 40 - HA GLU 22 OK 17 99 - 17 - 3848/3.0=3, 960/3.0=3...(5) Peak 3848 from cnoeabs.peaks (8.38, 1.84, 29.30 ppm; 4.06 A): 4 out of 4 assignments used, quality = 0.94: * H LEU 23 + HB2 GLU 22 OK 89 100 - 89 - 4.6=67, 76/3.0=21...(12) H GLY 39 + HB2 GLU 22 OK 21 99 - 21 - 3849/1.8=4, 4.2/4450=4...(7) H ASN 90 + HB2 GLU 22 OK 16 99 - 16 - 3847/3.0=4, 3849/1.8=3...(5) H GLY 40 + HB2 GLU 22 OK 15 99 - 15 - 3849/1.8=3, 3847/3.0=3...(5) Peak 3849 from cnoeabs.peaks (8.38, 1.94, 29.30 ppm; 4.23 A): 2 out of 8 assignments used, quality = 0.96: * H LEU 23 + HB3 GLU 22 OK 93 100 - 93 - 4.6=76, 3848/1.8=26...(10) H LEU 23 + HB2 GLU 77 OK 33 86 - 39 - 72/3.0=6, 75/1.8=6...(11) H GLY 39 - HB3 GLU 22 OK 23 99 - 23 - 3848/1.8=6, 3851/3.0=4...(6) H ASN 90 - HB3 GLU 22 OK 18 99 - 18 - 3848/1.8=4, 3847/3.0=4...(5) H GLY 40 - HB3 GLU 22 OK 17 99 - 17 - 3848/1.8=4, 3847/3.0=3...(5) H GLY 39 - HB2 GLU 77 lone 3 82 - 4 - H GLY 40 - HB2 GLU 77 lone 3 82 - 3 - H ASN 90 - HB2 GLU 77 lone 2 83 - 3 - Peak 3850 from cnoeabs.peaks (8.38, 2.07, 36.01 ppm; 5.38 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 23 + HG2 GLU 22 OK 100 100 - 100 - 5.0=100 H GLY 39 - HG2 GLU 22 OK 31 99 - 31 - 3851/1.8=7, 3848/3.0=7...(6) H ASN 90 - HG2 GLU 22 OK 24 99 - 24 - 3851/1.8=6, 3847/4.0=5...(5) H GLY 40 - HG2 GLU 22 OK 22 99 - 22 - 3851/1.8=5, 3848/3.0=5...(5) Peak 3851 from cnoeabs.peaks (8.38, 2.12, 36.01 ppm; 5.27 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 23 + HG3 GLU 22 OK 100 100 - 100 - 5.0=100 H GLY 39 - HG3 GLU 22 OK 30 99 - 30 - 3850/1.8=7, 3848/3.0=7...(6) H ASN 90 - HG3 GLU 22 OK 23 99 - 23 - 3850/1.8=5, 3848/3.0=5...(5) H GLY 40 - HG3 GLU 22 OK 21 99 - 21 - 3850/1.8=5, 3848/3.0=5...(5) Peak 3852 from cnoeabs.peaks (7.74, 3.93, 57.73 ppm; 4.68 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 24 + HA LEU 23 OK 100 100 - 100 - 3.6=100 H ASN 24 - HA LEU 73 OK 41 80 - 52 - 78=9, 5.0/1614=7...(12) H LYS 91 - HA LEU 23 OK 20 68 - 29 - 961/3.0=6, 3854/3.0=5...(7) H LYS 91 - HA LEU 73 lone 3 47 - 7 - Peak 3853 from cnoeabs.peaks (7.74, 2.02, 40.48 ppm; 4.64 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 24 + HB2 LEU 23 OK 100 100 - 100 - 4.6=100 H LYS 91 - HB2 LEU 23 OK 20 68 - 29 - 3854/1.8=6, 961/3.9=5...(7) H ASN 24 - HE3 LYS 68 poor 8 38 - 22 - 83/3.7=3, 79=2...(11) H LYS 91 - HE3 LYS 68 lone 1 20 - 3 - Peak 3854 from cnoeabs.peaks (7.74, 1.26, 40.48 ppm; 5.36 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 24 + HB3 LEU 23 OK 100 100 - 100 - 4.6=100 H LYS 91 - HB3 LEU 23 OK 25 68 - 36 - 3853/1.8=7, 3857/3.1=7...(7) Peak 3856 from cnoeabs.peaks (7.74, 0.91, 26.04 ppm; 6.19 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 24 + QD2 LEU 23 OK 100 100 - 100 - 5.0=100 H LYS 91 - QD2 LEU 23 OK 28 68 - 41 - 3857/2.1=9, 3854/3.1=8...(6) Peak 3857 from cnoeabs.peaks (7.74, 0.79, 22.27 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 24 + QD1 LEU 23 OK 100 100 - 100 - 5.0=100 H LYS 91 - QD1 LEU 23 OK 23 68 - 33 - 3854/3.1=6, 3856/2.1=6...(7) Peak 3858 from cnoeabs.peaks (7.36, 4.63, 54.70 ppm; 4.34 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 25 + HA ASN 24 OK 100 100 - 100 - 3.6=100 H ALA 75 - HA ASN 24 OK 26 100 - 26 - 962/2.9=10, 3859/3.0=6...(5) QE PHE 46 - HA ASN 24 OK 17 81 - 22 - 4631=5, 962/2.9=3...(6) H ALA 75 - HA LYS 31 poor 7 56 - 13 - ~4603=2, 352/3.0=2...(5) H GLU 25 - HA LYS 31 lone 3 57 - 6 - 4487/614=2 QE PHE 46 - HA LYS 31 lone 1 39 - 3 - Peak 3859 from cnoeabs.peaks (7.36, 2.92, 38.33 ppm; 4.44 A): 1 out of 6 assignments used, quality = 0.95: * H GLU 25 + HB2 ASN 24 OK 95 100 - 95 - 4.6=89, 84/3.7=33...(6) H ALA 75 - HB2 ASN 24 OK 32 100 - 32 - 962/3.7=9, 3.6/4158=8...(6) QE PHE 46 - HB2 ASN 24 OK 15 81 - 18 - 3858/3.0=4, 962/3.7=3...(7) H ALA 75 - HB2 ASP 53 lone 5 60 - 8 - ~5759=2, 5751/1.8=1, ~5720=1 H GLU 25 - HB2 ASP 53 lone 4 60 - 6 - 86=1 QE PHE 46 - HB2 ASP 53 lone 1 42 - 2 - Peak 3860 from cnoeabs.peaks (7.36, 2.86, 38.33 ppm; 4.40 A): 1 out of 12 assignments used, quality = 0.94: * H GLU 25 + HB3 ASN 24 OK 94 100 - 94 - 4.6=87, 84/3.7=33...(8) H ALA 75 - HB3 ASN 24 OK 28 100 - 28 - 962/3.7=9, 3859/1.8=8...(5) H GLU 25 - HB2 ASN 18 OK 20 90 - 22 - 87=5, 87/1.8=4...(6) H GLU 25 - HB3 ASN 18 OK 20 90 - 22 - 87=5, 87/1.8=4...(6) QE PHE 46 - HB3 ASN 24 OK 14 81 - 18 - 3859/1.8=4, 3858/3.0=4...(7) H ALA 75 - HB2 ASN 18 lone 6 89 - 7 - 4161/4159=1 H ALA 75 - HB3 ASN 18 lone 6 89 - 7 - 4161/4159=1 H GLU 25 - HB2 ASN 90 lone 5 52 - 9 - 1036/4.0=3, 84/4.6=2, 87=2 QE PHE 46 - HB2 ASN 18 lone 2 67 - 3 - QE PHE 46 - HB3 ASN 18 lone 2 67 - 3 - QE PHE 46 - HB2 ASN 90 lone 1 36 - 4 - 4740/1.8=1 H ALA 75 - HB2 ASN 90 lone 1 52 - 2 - Peak 3861 from cnoeabs.peaks (7.27, 3.97, 57.78 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 26 + HA GLU 25 OK 100 100 - 100 - 3.6=100 Peak 3862 from cnoeabs.peaks (7.27, 1.99, 29.47 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.94: * H LYS 26 + HB2 GLU 25 OK 94 100 - 94 - 4.6=78, 963/4.1=32...(10) Peak 3863 from cnoeabs.peaks (7.27, 2.10, 29.47 ppm; 4.23 A): 1 out of 2 assignments used, quality = 0.94: * H LYS 26 + HB3 GLU 25 OK 94 100 - 94 - 4.6=76, 3862/1.8=38...(10) H LYS 26 - HB3 GLU 77 OK 27 62 - 44 - 93=8, 95/3.0=8, 94/3.0=7...(11) Peak 3864 from cnoeabs.peaks (7.27, 2.22, 36.17 ppm; 4.87 A): 1 out of 2 assignments used, quality = 0.99: * H LYS 26 + HG2 GLU 25 OK 99 100 - 99 - 4.9=96, 3862/3.0=38...(9) H LYS 26 - HG2 GLU 77 OK 38 61 - 63 - 3.6/1642=15, 94=14...(9) Peak 3865 from cnoeabs.peaks (7.27, 2.44, 36.17 ppm; 4.98 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 26 + HG3 GLU 25 OK 100 100 - 100 - 4.9=100 H LYS 26 - HG3 GLU 77 OK 34 53 - 65 - 95=16, 3.6/1643=15...(10) Peak 3866 from cnoeabs.peaks (8.16, 4.10, 56.05 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 27 + HA LYS 26 OK 100 100 - 100 - 3.6=100 H ALA 71 - HA LYS 26 OK 16 57 - 27 - 3868/3.0=5, 3867/3.0=5...(11) Peak 3867 from cnoeabs.peaks (8.16, 1.31, 33.48 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 27 + HB2 LYS 26 OK 100 100 - 100 - 4.3=100 H ALA 71 - HB2 LYS 26 OK 20 57 - 35 - 3868/1.8=7, 3869/2.9=5...(11) Peak 3868 from cnoeabs.peaks (8.16, 1.52, 33.48 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.99: * H ARG 27 + HB3 LYS 26 OK 99 100 - 99 - 4.3=97, 96/4.0=34...(15) H ALA 71 - HB3 LYS 26 OK 21 57 - 37 - 3867/1.8=6, 3869/2.9=4...(15) Peak 3869 from cnoeabs.peaks (8.16, 0.75, 23.98 ppm; 5.28 A): 3 out of 4 assignments used, quality = 0.95: * H ARG 27 + HG2 LYS 26 OK 91 100 - 91 - 96/4.9=38, 3868/2.9=35...(15) H ALA 71 + HG2 LYS 26 OK 29 57 - 51 - 3868/2.9=7, 3867/2.9=7...(18) H ARG 27 + QD1 LEU 73 OK 20 41 - 48 - 4.0/4543=6, 102/2.1=6...(17) H ALA 71 - QD1 LEU 73 poor 10 18 - 52 - 3.6/5607=15, 4.5/4699=14...(10) Peak 3870 from cnoeabs.peaks (8.16, 1.21, 23.98 ppm; 5.47 A): 2 out of 6 assignments used, quality = 0.94: * H ARG 27 + HG3 LYS 26 OK 90 100 - 90 - 96/4.9=40, 3868/2.9=37...(11) H ARG 27 + HG2 LYS 14 OK 34 100 - 34 - 4.6/1708=8, 101=6...(7) H ALA 71 - HG3 LYS 26 OK 26 57 - 46 - 3869/1.8=8, 3868/2.9=8...(14) H ARG 27 - HG3 LYS 44 OK 20 61 - 32 - 617/3.0=5, 98/3.0=4...(9) H ALA 71 - HG2 LYS 14 lone 3 56 - 6 - H ALA 71 - HG3 LYS 44 poor 3 28 - 12 - 5642/1.8=2, 4.5/4798=2, ~2279=1 Peak 3875 from cnoeabs.peaks (8.35, 4.62, 52.51 ppm; 3.46 A): 1 out of 6 assignments used, quality = 0.96: * H ARG 28 + HA ARG 27 OK 96 100 - 96 - 3.6=91, 106/3.0=17...(14) H ALA 72 - HA ARG 27 OK 34 100 - 34 - 965/3.0=6, 3877/3.0=4...(12) H TYR 70 - HA ARG 27 OK 24 90 - 27 - 965/3.0=4, 4.6/1758=3...(10) H GLY 39 - HA ARG 27 poor 8 71 - 11 - 179=2, 4.6/686=2...(4) H GLY 40 - HA ARG 27 lone 3 71 - 4 - 4.6/179=1 H ASN 90 - HA ARG 27 lone 2 68 - 3 - Peak 3876 from cnoeabs.peaks (8.35, 1.77, 32.72 ppm; 5.21 A): 3 out of 6 assignments used, quality = 1.00: * H ARG 28 + HB2 ARG 27 OK 100 100 - 100 - 4.2=100 H ALA 72 + HB2 ARG 27 OK 74 100 - 75 - 3877/1.8=12, 3880/3.5=10...(21) H TYR 70 + HB2 ARG 27 OK 56 90 - 62 - 1061/3.5=9, 3877/1.8=8...(17) H GLY 39 - HB2 ARG 27 OK 17 71 - 24 - 3.6/1767=4, 4.6/177=3...(9) H GLY 40 - HB2 ARG 27 lone 7 71 - 9 - 3877/1.8=1 H ASN 90 - HB2 ARG 27 lone 6 68 - 9 - 4.6/943=1, 3877/1.8=1 Peak 3877 from cnoeabs.peaks (8.35, 1.70, 32.72 ppm; 5.07 A): 3 out of 6 assignments used, quality = 1.00: * H ARG 28 + HB3 ARG 27 OK 100 100 - 100 - 4.2=100 H ALA 72 + HB3 ARG 27 OK 67 100 - 68 - 3876/1.8=11, 3880/3.5=10...(20) H TYR 70 + HB3 ARG 27 OK 48 90 - 53 - 1061/3.5=9, 3876/1.8=8...(13) H GLY 39 - HB3 ARG 27 OK 14 71 - 20 - 3.6/1775=4, 179/3.0=3...(8) H ASN 90 - HB3 ARG 27 lone 6 68 - 9 - 4.6/944=1 H GLY 40 - HB3 ARG 27 lone 6 71 - 8 - 3876/1.8=1 Peak 3878 from cnoeabs.peaks (8.35, 1.42, 26.70 ppm; 5.85 A): 3 out of 6 assignments used, quality = 1.00: * H ARG 28 + HG2 ARG 27 OK 100 100 - 100 - 5.0=100 H ALA 72 + HG2 ARG 27 OK 72 100 - 73 - 3880/3.0=13, 3881/3.0=12...(18) H TYR 70 + HG2 ARG 27 OK 53 90 - 59 - 1061/3.0=11, 4.6/1782=9...(11) H GLY 39 - HG2 ARG 27 OK 22 71 - 31 - 4.6/4783=6, 3.6/1783=5...(10) H GLY 40 - HG2 ARG 27 poor 8 71 - 11 - 3879/1.8=1, 3880/3.0=1...(5) H ASN 90 - HG2 ARG 27 lone 7 68 - 10 - 3877/2.9=1, 3879/1.8=1...(4) Peak 3879 from cnoeabs.peaks (8.35, 1.52, 26.70 ppm; 6.07 A): 3 out of 6 assignments used, quality = 1.00: * H ARG 28 + HG3 ARG 27 OK 100 100 - 100 - 5.0=100 H ALA 72 + HG3 ARG 27 OK 79 100 - 79 - 3880/3.0=13, 3881/3.0=12...(22) H TYR 70 + HG3 ARG 27 OK 61 90 - 68 - 1061/3.0=12, 4.6/1790=10...(16) H GLY 39 - HG3 ARG 27 OK 22 71 - 31 - 3.6/1791=5, 4.6/176=4...(10) H GLY 40 - HG3 ARG 27 poor 8 71 - 12 - 3878/1.8=1, 3880/3.0=1...(5) H ASN 90 - HG3 ARG 27 poor 8 68 - 11 - 3878/1.8=1, 3877/2.9=1...(5) Peak 3880 from cnoeabs.peaks (8.35, 3.18, 42.18 ppm; 4.82 A): 3 out of 6 assignments used, quality = 0.96: * H ARG 28 + HD2 ARG 27 OK 82 100 - 82 - 113/1.8=29, 107/5.3=18...(18) H ALA 72 + HD2 ARG 27 OK 61 100 - 61 - 3881/1.8=11, 3877/3.5=8...(22) H TYR 70 + HD2 ARG 27 OK 39 90 - 43 - 1061/1.8=11, 3876/3.5=6...(9) H GLY 39 - HD2 ARG 27 OK 12 71 - 17 - 3.6/1799=4, 3881/1.8=2...(7) H GLY 40 - HD2 ARG 27 lone 5 71 - 7 - H ASN 90 - HD2 ARG 27 lone 5 68 - 7 - Peak 3881 from cnoeabs.peaks (8.35, 3.59, 42.18 ppm; 4.95 A): 3 out of 6 assignments used, quality = 0.97: * H ARG 28 + HD3 ARG 27 OK 84 100 - 84 - 113=30, 3.6/1765=23...(16) H ALA 72 + HD3 ARG 27 OK 61 100 - 61 - 3880/1.8=12, 3877/3.5=8...(19) H TYR 70 + HD3 ARG 27 OK 49 90 - 55 - 1061=9, 3880/1.8=8...(15) H GLY 39 - HD3 ARG 27 OK 12 71 - 18 - 3.6/1807=4, 3880/1.8=2...(7) H GLY 40 - HD3 ARG 27 lone 5 71 - 7 - 3880/1.8=1 H ASN 90 - HD3 ARG 27 lone 5 68 - 7 - Peak 3882 from cnoeabs.peaks (8.59, 4.41, 55.68 ppm; 3.06 A): 2 out of 2 assignments used, quality = 0.91: * H GLY 29 + HA ARG 28 OK 83 100 - 83 - 3.6=63, 3.0/4559=14...(17) H LEU 73 + HA ARG 28 OK 45 97 - 47 - 1075=10, 340/3.0=6...(15) Peak 3883 from cnoeabs.peaks (8.59, 1.79, 30.87 ppm; 4.13 A): 3 out of 4 assignments used, quality = 1.00: * H GLY 29 + HB2 ARG 28 OK 95 100 - 95 - 4.6=70, 3882/3.0=26...(21) H GLY 29 + HB3 ARG 28 OK 79 83 - 95 - 4.6=70, 3882/3.0=26...(20) H LEU 73 + HB2 ARG 28 OK 57 97 - 59 - 3882/3.0=14, 966/4.0=10...(16) H LEU 73 - HB3 ARG 28 OK 44 76 - 58 - 3882/3.0=14, 966/4.0=10...(17) Peak 3884 from cnoeabs.peaks (8.59, 1.77, 30.87 ppm; 4.11 A): 3 out of 4 assignments used, quality = 1.00: * H GLY 29 + HB3 ARG 28 OK 95 100 - 95 - 4.6=69, 3882/3.0=26...(22) H GLY 29 + HB2 ARG 28 OK 79 83 - 95 - 4.6=69, 3882/3.0=26...(20) H LEU 73 + HB3 ARG 28 OK 61 97 - 63 - 3882/3.0=14, 966/4.0=10...(20) H LEU 73 - HB2 ARG 28 OK 44 76 - 58 - 3882/3.0=14, 966/4.0=10...(15) Peak 3885 from cnoeabs.peaks (8.59, 1.66, 27.04 ppm; 4.33 A): 4 out of 4 assignments used, quality = 1.00: H GLY 29 + HG3 ARG 28 OK 95 100 - 95 - 4.9=69, 3882/3.8=23...(20) * H GLY 29 + HG2 ARG 28 OK 95 100 - 95 - 4.9=69, 3882/3.8=23...(20) H LEU 73 + HG3 ARG 28 OK 66 96 - 69 - 3882/3.8=12, 966/4.6=9...(21) H LEU 73 + HG2 ARG 28 OK 66 97 - 69 - 3882/3.8=12, 966/4.6=9...(20) Peak 3886 from cnoeabs.peaks (8.59, 1.66, 27.04 ppm; 4.33 A): 4 out of 4 assignments used, quality = 1.00: * H GLY 29 + HG3 ARG 28 OK 95 100 - 95 - 4.9=69, 3882/3.8=23...(21) H GLY 29 + HG2 ARG 28 OK 95 100 - 95 - 4.9=69, 3882/3.8=23...(20) H LEU 73 + HG3 ARG 28 OK 67 97 - 69 - 3882/3.8=12, 966/4.6=9...(21) H LEU 73 + HG2 ARG 28 OK 66 96 - 69 - 3882/3.8=12, 966/4.6=9...(21) Peak 3887 from cnoeabs.peaks (8.59, 3.16, 43.10 ppm; 5.58 A): 2 out of 2 assignments used, quality = 0.96: * H GLY 29 + HD2 ARG 28 OK 87 100 - 87 - 3882/4.7=27, 121/1.8=26...(16) H LEU 73 + HD2 ARG 28 OK 69 97 - 72 - 3888/1.8=16, 3882/4.7=15...(17) Peak 3888 from cnoeabs.peaks (8.59, 3.21, 43.10 ppm; 5.91 A): 2 out of 2 assignments used, quality = 0.97: * H GLY 29 + HD3 ARG 28 OK 90 100 - 90 - 121=31, 3882/4.7=29...(13) H LEU 73 + HD3 ARG 28 OK 69 97 - 71 - 3887/1.8=20, 3882/4.7=15...(13) Peak 3889 from cnoeabs.peaks (8.11, 3.83, 46.26 ppm; 4.19 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 30 + HA2 GLY 29 OK 100 100 - 100 - 3.6=100 H ALA 71 + HA2 GLY 29 OK 46 89 - 52 - 967/3.0=15, 1063/1.8=12...(9) H MET 11 - HA2 GLY 29 OK 12 98 - 12 - 967/3.0=3, 123=3, 124/1.8=2 H ALA 89 - HA2 GLY 29 lone 4 100 - 4 - 967/3.0=2 Peak 3890 from cnoeabs.peaks (8.11, 3.87, 46.26 ppm; 4.08 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 30 + HA3 GLY 29 OK 100 100 - 100 - 3.6=100 H ALA 71 + HA3 GLY 29 OK 51 89 - 58 - 967/3.0=14, 1063=13...(12) H MET 11 - HA3 GLY 29 OK 11 98 - 11 - 967/3.0=3, 123/1.8=2...(4) H ALA 89 - HA3 GLY 29 lone 5 100 - 5 - 967/3.0=2 Peak 3891 from cnoeabs.peaks (8.49, 4.22, 54.95 ppm; 2.85 A): 4 out of 6 assignments used, quality = 0.86: * H LYS 31 + HA LEU 30 OK 74 100 - 74 - 3.6=51, 128/3.0=9...(10) H LYS 31 + HA LEU 87 OK 20 86 - 23 - 126=8, 4.6/1891=2...(10) H THR 38 + HA LEU 30 OK 18 93 - 20 - 3893/3.0=4, 3892/3.0=4...(6) H LYS 31 + HA ASP 53 OK 18 86 - 21 - 126=8, 4.6/1891=2...(9) H THR 38 - HA ASP 53 lone 2 75 - 3 - H THR 38 - HA LEU 87 lone 2 76 - 3 - Peak 3892 from cnoeabs.peaks (8.49, 1.69, 41.58 ppm; 4.52 A): 2 out of 2 assignments used, quality = 0.99: * H LYS 31 + HB2 LEU 30 OK 99 100 - 99 - 4.6=92, 126/3.0=30...(16) H THR 38 + HB2 LEU 30 OK 46 93 - 49 - 3893/1.8=13, 3896/3.1=11...(8) Peak 3893 from cnoeabs.peaks (8.49, 0.90, 41.58 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.97: * H LYS 31 + HB3 LEU 30 OK 97 100 - 97 - 4.6=81, 126/3.0=29...(17) H THR 38 - HB3 LEU 30 OK 44 93 - 47 - 3892/1.8=12, 3896/3.1=10...(9) Peak 3894 from cnoeabs.peaks (8.49, 1.54, 26.06 ppm; 5.83 A): 2 out of 2 assignments used, quality = 0.98: * H LYS 31 + HG LEU 30 OK 94 100 - 94 - 3896/2.1=36, 3893/3.0=32...(16) H THR 38 + HG LEU 30 OK 57 93 - 61 - 3895/2.1=16, 3892/3.0=14...(8) Peak 3895 from cnoeabs.peaks (8.49, 0.77, 26.77 ppm; 5.11 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 31 + QD1 LEU 30 OK 100 100 - 100 - 5.0=100 H THR 38 + QD1 LEU 30 OK 55 93 - 59 - 3896/2.1=14, 3893/3.1=12...(11) Peak 3896 from cnoeabs.peaks (8.49, 0.87, 22.29 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.82: * H LYS 31 + QD2 LEU 30 OK 76 100 - 76 - 5.0=34, 126/4.0=15...(14) H THR 38 + QD2 LEU 30 OK 28 93 - 30 - 3893/3.1=6, 3892/3.1=6...(8) Peak 3897 from cnoeabs.peaks (8.68, 4.60, 54.66 ppm; 2.87 A): 1 out of 2 assignments used, quality = 0.78: * H TYR 32 + HA LYS 31 OK 78 100 - 78 - 3.6=52, 3898/3.0=14...(11) H TYR 32 - HA ASN 24 lone 4 57 - 7 - 133=2, 652/3.0=1 Peak 3898 from cnoeabs.peaks (8.68, 1.79, 34.20 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.99: * H TYR 32 + HB2 LYS 31 OK 99 100 - 99 - 4.1=95, 3897/3.0=38...(15) Peak 3899 from cnoeabs.peaks (8.68, 1.70, 34.20 ppm; 4.20 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 32 + HB3 LYS 31 OK 100 100 - 100 - 4.1=100 H TYR 32 - HB3 LYS 17 OK 11 74 - 15 - 135=2, 652/5.0=2...(8) H TYR 32 - HB2 LYS 17 OK 10 72 - 14 - 135=2, 652/5.0=2...(8) Peak 3900 from cnoeabs.peaks (8.68, 1.41, 24.47 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.94: * H TYR 32 + HG2 LYS 31 OK 94 100 - 94 - 3901/1.8=42, 3897/3.7=40...(11) Peak 3901 from cnoeabs.peaks (8.68, 1.30, 24.47 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.93: * H TYR 32 + HG3 LYS 31 OK 93 100 - 93 - 3897/3.7=38, 3900/1.8=37...(15) Peak 3903 from cnoeabs.peaks (8.68, 1.67, 28.92 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.99: * H TYR 32 + HD3 LYS 31 OK 90 100 - 90 - 3901/3.0=33, 3898/3.6=33...(12) H TYR 32 + HD2 LYS 31 OK 90 100 - 90 - 3901/3.0=33, 3898/3.6=33...(12) Peak 3906 from cnoeabs.peaks (9.44, 4.95, 56.76 ppm; 2.87 A): 2 out of 2 assignments used, quality = 0.83: * H GLU 33 + HA TYR 32 OK 77 100 - 77 - 3.6=52, 142/3.0=12...(14) H GLU 49 + HA TYR 32 OK 25 97 - 26 - 3907/3.0=5, 4598/3.7=4...(11) Peak 3907 from cnoeabs.peaks (9.44, 2.51, 39.34 ppm; 4.41 A): 2 out of 2 assignments used, quality = 0.99: * H GLU 33 + HB2 TYR 32 OK 97 100 - 97 - 4.7=85, 143/3.0=36...(13) H GLU 49 + HB2 TYR 32 OK 61 97 - 63 - 4598/2.5=13, 3908/1.8=12...(15) Peak 3908 from cnoeabs.peaks (9.44, 2.86, 39.34 ppm; 4.77 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 33 + HB3 TYR 32 OK 100 100 - 100 - 4.7=100 H GLU 49 + HB3 TYR 32 OK 54 97 - 56 - 3907/1.8=17, 4598/2.5=15...(9) Peak 3911 from cnoeabs.peaks (8.79, 4.63, 54.21 ppm; 2.76 A): 3 out of 8 assignments used, quality = 0.75: * H LEU 34 + HA GLU 33 OK 65 100 - 65 - 3.6=46, 3912/3.0=7...(13) H PHE 57 + HA GLU 33 OK 21 99 - 21 - 769=4, 3912/3.0=3...(6) H ASN 18 + HA GLU 33 OK 11 99 - 11 - 3912/3.0=2, 971/2.9=2...(5) H GLY 54 - HA GLU 33 lone 8 97 - 9 - 5155/3.0=2, 3912/3.0=2...(5) H LEU 34 - HA ASP 82 lone 6 92 - 6 - 149=2 H ASN 18 - HA ASP 82 lone 2 89 - 2 - H PHE 57 - HA ASP 82 lone 2 90 - 2 - H GLY 54 - HA ASP 82 lone 1 87 - 1 - Peak 3912 from cnoeabs.peaks (8.79, 1.94, 32.61 ppm; 3.94 A): 2 out of 4 assignments used, quality = 0.97: * H LEU 34 + HB2 GLU 33 OK 94 100 - 94 - 4.2=81, 3911/3.0=22...(15) H PHE 57 + HB2 GLU 33 OK 48 99 - 48 - 3911/3.0=7, 3914/3.0=7...(16) H ASN 18 - HB2 GLU 33 OK 28 99 - 28 - 3915/3.0=5, 3914/3.0=5...(9) H GLY 54 - HB2 GLU 33 OK 21 97 - 21 - 5155/1.8=5, 3914/3.0=3...(6) Peak 3913 from cnoeabs.peaks (8.79, 1.81, 32.61 ppm; 4.31 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 34 + HB3 GLU 33 OK 100 100 - 100 - 4.2=100 H PHE 57 + HB3 GLU 33 OK 50 99 - 51 - 3912/1.8=11, 3914/3.0=8...(12) H GLY 54 - HB3 GLU 33 OK 28 97 - 29 - 5155=6, 3912/1.8=5...(9) H ASN 18 - HB3 GLU 33 OK 28 99 - 28 - 3912/1.8=6, 3915/3.0=6...(6) H LEU 34 - HB2 LYS 44 OK 17 75 - 23 - 664/3.7=4, 151=4...(8) H PHE 57 - HB2 LYS 44 OK 14 73 - 19 - 253/1.8=3, 250/2.9=2...(6) H ASN 18 - HB2 LYS 44 lone 5 72 - 7 - H GLY 54 - HB2 LYS 44 lone 4 70 - 6 - 5155=1 Peak 3914 from cnoeabs.peaks (8.79, 2.22, 35.42 ppm; 4.14 A): 4 out of 4 assignments used, quality = 0.92: * H LEU 34 + HG2 GLU 33 OK 77 100 - 77 - 152=25, 153/1.8=19...(13) H PHE 57 + HG2 GLU 33 OK 41 99 - 42 - 3915/1.8=9, 3912/3.0=8...(11) H ASN 18 + HG2 GLU 33 OK 28 99 - 28 - 3915/1.8=7, 3912/3.0=5...(8) H GLY 54 + HG2 GLU 33 OK 20 97 - 20 - 3915/1.8=4, 5155/3.0=4...(6) Peak 3915 from cnoeabs.peaks (8.79, 2.06, 35.42 ppm; 4.32 A): 4 out of 4 assignments used, quality = 0.94: * H LEU 34 + HG3 GLU 33 OK 79 100 - 79 - 153=22, 152/1.8=21...(13) H PHE 57 + HG3 GLU 33 OK 46 99 - 47 - 3914/1.8=10, 3912/3.0=9...(12) H ASN 18 + HG3 GLU 33 OK 32 99 - 33 - 3914/1.8=7, 3912/3.0=5...(9) H GLY 54 + HG3 GLU 33 OK 22 97 - 23 - 3914/1.8=5, 5155/3.0=4...(6) Peak 3916 from cnoeabs.peaks (8.98, 4.97, 54.95 ppm; 3.25 A): 1 out of 1 assignment used, quality = 0.94: * H ILE 35 + HA LEU 34 OK 94 100 - 94 - 3.6=76, 3921/4.0=13...(17) Peak 3917 from cnoeabs.peaks (8.98, 2.00, 41.62 ppm; 5.09 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 35 + HB2 LEU 34 OK 100 100 - 100 - 4.2=100 Peak 3918 from cnoeabs.peaks (8.98, 1.42, 41.62 ppm; 5.31 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 35 + HB3 LEU 34 OK 100 100 - 100 - 4.2=100 Peak 3919 from cnoeabs.peaks (8.98, 1.51, 27.40 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.89: * H ILE 35 + HG LEU 34 OK 89 100 - 89 - 3920/2.1=37, 3921/2.1=36...(16) Peak 3920 from cnoeabs.peaks (8.98, 1.06, 26.57 ppm; 4.70 A): 1 out of 1 assignment used, quality = 0.93: * H ILE 35 + QD2 LEU 34 OK 93 100 - 93 - 155/4.0=39, 3919/2.1=38...(16) Peak 3921 from cnoeabs.peaks (8.98, 1.22, 25.00 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.85: * H ILE 35 + QD1 LEU 34 OK 80 100 - 80 - 155/4.0=23, 3919/2.1=20...(19) H ILE 35 + HG2 LYS 17 OK 24 76 - 32 - 3.6/2104=6, 673=5...(14) Peak 3922 from cnoeabs.peaks (7.56, 4.36, 60.31 ppm; 3.97 A): 2 out of 4 assignments used, quality = 1.00: * H SER 36 + HA ILE 35 OK 100 100 - 100 - 3.6=100 H LYS 44 + HA ILE 35 OK 54 97 - 55 - 973/3.0=10, 3923/3.0=9...(16) HE22 GLN 55 - HA ILE 35 OK 13 71 - 18 - 973/3.0=3, 3923/3.0=3...(8) HD21 ASN 63 - HA ILE 35 poor 10 78 - 12 - 3923/3.0=2, 3924/3.2=2...(6) Peak 3923 from cnoeabs.peaks (7.56, 1.87, 37.61 ppm; 3.66 A): 4 out of 4 assignments used, quality = 0.95: * H SER 36 + HB ILE 35 OK 88 100 - 88 - 4.4=56, 161/3.9=24...(14) H LYS 44 + HB ILE 35 OK 46 97 - 47 - 3924/2.1=9, 3922/3.0=8...(14) HE22 GLN 55 + HB ILE 35 OK 12 71 - 17 - 3924/2.1=3, 973/3.9=2...(7) HD21 ASN 63 + HB ILE 35 OK 10 78 - 13 - 3924/2.1=2, 3925/3.0=2...(7) Peak 3924 from cnoeabs.peaks (7.56, 0.82, 17.07 ppm; 4.00 A): 2 out of 4 assignments used, quality = 0.99: * H SER 36 + QG2 ILE 35 OK 97 100 - 97 - 4.4=77, 161/4.0=28...(16) H LYS 44 + QG2 ILE 35 OK 55 97 - 56 - 3923/2.1=11, 3922/3.2=9...(16) HE22 GLN 55 - QG2 ILE 35 OK 15 71 - 21 - 3923/2.1=3, 973/4.0=2...(10) HD21 ASN 63 - QG2 ILE 35 OK 12 78 - 15 - 3923/2.1=3, 3927/3.1=2...(7) Peak 3925 from cnoeabs.peaks (7.56, 1.14, 26.82 ppm; 4.76 A): 2 out of 4 assignments used, quality = 0.97: * H SER 36 + HG12 ILE 35 OK 93 100 - 93 - 165=36, 161/4.5=33...(15) H LYS 44 + HG12 ILE 35 OK 64 97 - 66 - 3926/1.8=13, 3927/2.1=13...(16) HE22 GLN 55 - HG12 ILE 35 OK 19 71 - 26 - 3927/2.1=4, 3926/1.8=4...(9) HD21 ASN 63 - HG12 ILE 35 OK 17 78 - 21 - 3926/1.8=3, 3927/2.1=3...(7) Peak 3926 from cnoeabs.peaks (7.56, 1.23, 26.82 ppm; 4.81 A): 2 out of 4 assignments used, quality = 0.96: * H SER 36 + HG13 ILE 35 OK 90 100 - 90 - 165/1.8=34, 161/4.5=33...(18) H LYS 44 + HG13 ILE 35 OK 64 97 - 66 - 3927/2.1=13, 3925/1.8=13...(15) HE22 GLN 55 - HG13 ILE 35 OK 18 71 - 24 - 3925/1.8=4, 3927/2.1=4...(8) HD21 ASN 63 - HG13 ILE 35 OK 16 78 - 20 - 3925/1.8=4, 3927/2.1=3...(7) Peak 3927 from cnoeabs.peaks (7.56, 0.65, 10.73 ppm; 4.50 A): 2 out of 4 assignments used, quality = 0.98: * H SER 36 + QD1 ILE 35 OK 94 100 - 94 - 167=32, 165/2.1=31...(18) H LYS 44 + QD1 ILE 35 OK 62 97 - 64 - 3926/2.1=11, 3925/2.1=11...(16) HE22 GLN 55 - QD1 ILE 35 OK 18 71 - 25 - 3925/2.1=3, 167=3...(8) HD21 ASN 63 - QD1 ILE 35 OK 15 78 - 19 - 3925/2.1=3, 3926/2.1=3...(7) Peak 3928 from cnoeabs.peaks (8.32, 4.56, 57.61 ppm; 2.94 A): 1 out of 7 assignments used, quality = 0.68: * H GLU 37 + HA SER 36 OK 68 100 - 68 - 3.6=56, 170/3.0=13...(5) H LEU 85 - HA SER 36 lone 7 97 - 7 - 974/2.9=2, 3929/3.0=2 H ALA 60 - HA SER 36 lone 5 99 - 5 - 3929/3.0=1, 3930/3.0=1 H TYR 70 - HA SER 36 lone 3 89 - 4 - 3929/3.0=1 H LYS 64 - HA SER 36 lone 2 65 - 3 - ~5428=1 H GLY 16 - HA SER 36 lone 1 63 - 1 - H ALA 72 - HA SER 36 lone 1 57 - 1 - Peak 3929 from cnoeabs.peaks (8.32, 3.75, 64.54 ppm; 3.89 A): 4 out of 7 assignments used, quality = 0.90: * H GLU 37 + HB2 SER 36 OK 86 100 - 86 - 4.5=66, 169/3.0=31...(7) H LEU 85 + HB2 SER 36 OK 14 97 - 15 - 3930/1.8=4, 974/4.0=3...(4) H ALA 60 + HB2 SER 36 OK 12 99 - 12 - 3930/1.8=3, 3928/3.0=2...(5) H TYR 70 + HB2 SER 36 OK 11 89 - 13 - 4.6/1056=3, 3930/1.8=2...(5) H LYS 64 - HB2 SER 36 lone 6 65 - 10 - 3.0/5428=4, 4.6/812=2 H ALA 72 - HB2 SER 36 lone 2 57 - 3 - H GLY 16 - HB2 SER 36 lone 2 63 - 3 - Peak 3930 from cnoeabs.peaks (8.32, 3.57, 64.54 ppm; 4.23 A): 1 out of 7 assignments used, quality = 0.95: * H GLU 37 + HB3 SER 36 OK 95 100 - 95 - 4.5=85, 169/3.0=35...(6) H LEU 85 - HB3 SER 36 OK 17 97 - 17 - 3929/1.8=5, 974/4.0=4...(4) H ALA 60 - HB3 SER 36 OK 14 99 - 14 - 3929/1.8=4, 3928/3.0=3...(5) H TYR 70 - HB3 SER 36 poor 9 89 - 11 - 3929/1.8=4, 3928/3.0=2 H LYS 64 - HB3 SER 36 lone 6 65 - 9 - ~5428=4, 3929/1.8=2, 3928/3.0=1 H ALA 72 - HB3 SER 36 lone 2 57 - 4 - H GLY 16 - HB3 SER 36 lone 2 63 - 3 - Peak 3931 from cnoeabs.peaks (8.48, 4.82, 54.87 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H THR 38 + HA GLU 37 OK 100 100 - 100 - 3.6=100 H LYS 31 - HA GLU 37 OK 22 93 - 24 - 2194/4.7=5, 975/2.9=5...(7) Peak 3932 from cnoeabs.peaks (8.48, 1.81, 31.82 ppm; 5.36 A): 1 out of 6 assignments used, quality = 1.00: * H THR 38 + HB2 GLU 37 OK 100 100 - 100 - 4.4=100 H LYS 31 - HB2 GLU 37 OK 39 93 - 42 - 3933/1.8=10, 3934/3.0=9...(7) H THR 38 - HB VAL 66 poor 9 59 - 16 - 3.6/2171=6, 4.6/681=2...(5) H THR 38 - HB2 LYS 65 lone 5 60 - 9 - 3.6/2171=2, 4.6/681=1 H LYS 31 - HB2 LYS 65 lone 3 51 - 7 - H LYS 31 - HB VAL 66 lone 2 50 - 4 - Peak 3933 from cnoeabs.peaks (8.48, 1.86, 31.82 ppm; 5.35 A): 1 out of 4 assignments used, quality = 1.00: * H THR 38 + HB3 GLU 37 OK 100 100 - 100 - 4.4=100 H LYS 31 - HB3 GLU 37 OK 37 93 - 40 - 3932/1.8=10, 3934/3.0=9...(7) H THR 38 - HB VAL 66 OK 19 78 - 24 - 3.6/2177=9, 4.6/2176=4...(5) H LYS 31 - HB VAL 66 lone 3 68 - 5 - Peak 3934 from cnoeabs.peaks (8.48, 1.50, 35.45 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.94: * H THR 38 + HG2 GLU 37 OK 89 100 - 89 - 173/3.8=50, 172/4.9=33...(9) H LYS 31 + HG2 GLU 37 OK 43 93 - 46 - 3935/1.8=12, 3932/3.0=11...(7) Peak 3935 from cnoeabs.peaks (8.48, 1.79, 35.45 ppm; 5.26 A): 4 out of 4 assignments used, quality = 0.94: * H THR 38 + HG3 GLU 37 OK 83 100 - 83 - 173/3.8=45, 172/4.9=26...(7) H LYS 31 + HG3 GLU 37 OK 41 93 - 44 - 3934/1.8=10, 3932/3.0=8...(10) H THR 38 + HB2 MET 48 OK 24 99 - 24 - 3.6/2189=8, 4.4/2191=3...(7) H LYS 31 + HB2 MET 48 OK 17 91 - 19 - 4.7/134=5, 4596/4907=3...(5) Peak 3936 from cnoeabs.peaks (8.38, 4.61, 59.87 ppm; 3.54 A): 1 out of 6 assignments used, quality = 0.99: * H GLY 39 + HA THR 38 OK 99 100 - 99 - 3.6=97, 4.2/2197=15...(5) H GLY 40 - HA THR 38 OK 23 100 - 23 - 3937/3.0=7, 3.0/2196=5...(7) H ARG 28 - HA THR 38 OK 11 71 - 16 - 107=3, 976/3.0=2...(9) H LEU 23 - HA THR 38 lone 7 99 - 7 - 3938/3.2=2, 976/3.0=2 H ASN 90 - HA THR 38 lone 2 100 - 2 - H ALA 72 - HA THR 38 lone 2 63 - 4 - Peak 3937 from cnoeabs.peaks (8.38, 4.19, 71.53 ppm; 3.88 A): 2 out of 6 assignments used, quality = 0.93: * H GLY 39 + HB THR 38 OK 86 100 - 86 - 4.4=68, 3936/3.0=22...(6) H GLY 40 + HB THR 38 OK 47 100 - 47 - 3.5/4786=13, 4.6/180=12...(10) H ARG 28 - HB THR 38 poor 8 71 - 11 - 3936/3.0=2, 976/3.8=2...(5) H LEU 23 - HB THR 38 lone 7 99 - 7 - 3938/2.1=4, 976/3.8=2 H ASN 90 - HB THR 38 lone 3 100 - 3 - H ALA 72 - HB THR 38 lone 2 63 - 3 - Peak 3938 from cnoeabs.peaks (8.38, 1.08, 21.24 ppm; 3.80 A): 3 out of 12 assignments used, quality = 0.93: * H GLY 39 + QG2 THR 38 OK 89 100 - 89 - 4.2=77, 3.6/2197=20...(5) H GLY 40 + QG2 THR 38 OK 26 100 - 26 - 3937/2.1=10, 3936/3.2=5...(6) H LEU 23 + QG2 THR 38 OK 16 99 - 17 - 4.6/4450=3, 4.6/4453=3...(8) H LEU 23 - QG2 THR 13 poor 7 61 - 12 - 5.0/4460=2, 5.0/4463=2...(5) H ARG 28 - QG2 THR 38 poor 7 71 - 10 - 3936/3.2=2, 976/4.0=2...(5) H GLY 39 - QG2 THR 13 lone 5 64 - 8 - 3.6/2197=2, 181=2, 4.6/2202=2 H ASN 90 - QG2 THR 38 lone 3 100 - 3 - H ALA 72 - QG2 THR 38 lone 3 63 - 5 - H GLY 40 - QG2 THR 13 lone 2 64 - 4 - H ALA 72 - QG2 THR 13 lone 1 33 - 3 - H ASN 90 - QG2 THR 13 lone 1 64 - 1 - H ARG 28 - QG2 THR 13 lone 1 38 - 2 - Peak 3939 from cnoeabs.peaks (8.38, 3.72, 44.13 ppm; 3.31 A): 2 out of 6 assignments used, quality = 1.00: H GLY 39 + HA2 GLY 39 OK 100 100 - 100 - 3.0=100 * H GLY 40 + HA2 GLY 39 OK 89 100 - 89 - 3.5=82, 184/1.8=30...(7) H ASN 90 - HA2 GLY 39 lone 3 100 - 3 - H LEU 23 - HA2 GLY 39 lone 3 99 - 3 - H ARG 28 - HA2 GLY 39 lone 1 71 - 1 - H ALA 72 - HA2 GLY 39 lone 1 63 - 1 - Peak 3940 from cnoeabs.peaks (8.38, 4.27, 44.13 ppm; 3.63 A): 2 out of 6 assignments used, quality = 1.00: H GLY 39 + HA3 GLY 39 OK 100 100 - 100 - 3.0=100 * H GLY 40 + HA3 GLY 39 OK 100 100 - 100 - 3.5=100 H ASN 90 - HA3 GLY 39 lone 4 100 - 4 - 426=1 H LEU 23 - HA3 GLY 39 lone 3 99 - 3 - H ARG 28 - HA3 GLY 39 lone 1 71 - 1 - H ALA 72 - HA3 GLY 39 lone 1 63 - 1 - Peak 3941 from cnoeabs.peaks (7.99, 4.63, 56.52 ppm; 4.80 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 43 + HA HIS 42 OK 100 100 - 100 - 3.6=100 H LYS 68 - HA HIS 42 lone 8 99 - 8 - 3943/3.0=2, 3942/3.0=2 Peak 3942 from cnoeabs.peaks (7.99, 3.11, 29.88 ppm; 5.09 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 43 + HB2 HIS 42 OK 100 100 - 100 - 4.5=100 H LYS 68 - HB2 HIS 42 lone 8 99 - 7 - 3943/1.8=3, 3941/3.0=3 Peak 3943 from cnoeabs.peaks (7.99, 3.20, 29.88 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 43 + HB3 HIS 42 OK 100 100 - 100 - 4.5=100 H LYS 68 - HB3 HIS 42 lone 7 99 - 7 - 3942/1.8=3, 3941/3.0=3 Peak 3945 from cnoeabs.peaks (7.57, 4.61, 53.08 ppm; 3.58 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 44 + HA ASP 43 OK 100 100 - 100 - 3.6=100 HD21 ASN 63 - HA ASP 43 OK 12 96 - 13 - 978/3.0=3, 3946/3.0=2...(5) H SER 36 - HA ASP 43 lone 4 97 - 4 - 978/3.0=1, 3946/3.0=1 H VAL 20 - HA ASP 43 lone 3 78 - 4 - 978/3.0=1 H LYS 17 - HA ASP 43 lone 2 68 - 2 - Peak 3946 from cnoeabs.peaks (7.57, 2.58, 39.92 ppm; 4.95 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 44 + HB2 ASP 43 OK 100 100 - 100 - 4.2=100 HD21 ASN 63 - HB2 ASP 43 OK 18 96 - 19 - 3947/1.8=5, 3945/3.0=4...(6) H SER 36 - HB2 ASP 43 lone 9 97 - 9 - 3947/1.8=2, 978/4.0=2...(4) H VAL 20 - HB2 ASP 43 lone 6 78 - 7 - 3947/1.8=2, 978/4.0=2 H LYS 17 - HB2 ASP 43 lone 3 68 - 4 - Peak 3947 from cnoeabs.peaks (7.57, 2.44, 39.92 ppm; 4.93 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 44 + HB3 ASP 43 OK 100 100 - 100 - 4.2=100 HD21 ASN 63 - HB3 ASP 43 OK 17 96 - 18 - 3946/1.8=5, 3945/3.0=4...(5) H VAL 20 - HB3 ASP 43 lone 8 78 - 9 - 4.6/4792=2, 978/4.0=2...(4) H SER 36 - HB3 ASP 43 lone 7 97 - 8 - 3946/1.8=3, 978/4.0=2 H LYS 17 - HB3 ASP 43 lone 3 68 - 4 - Peak 3948 from cnoeabs.peaks (8.63, 5.16, 56.57 ppm; 3.17 A): 2 out of 2 assignments used, quality = 0.87: * H VAL 47 + HA PHE 46 OK 84 100 - 84 - 3.6=71, 194/3.0=16...(10) H GLN 58 + HA PHE 46 OK 14 89 - 16 - 193=4, 4646/3.7=3...(6) Peak 3949 from cnoeabs.peaks (8.63, 2.59, 41.46 ppm; 5.03 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 47 + HB2 PHE 46 OK 100 100 - 100 - 4.2=100 H GLN 58 - HB2 PHE 46 OK 24 89 - 27 - 4646/2.4=9, 3948/3.0=7...(6) Peak 3950 from cnoeabs.peaks (8.63, 2.55, 41.46 ppm; 5.15 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 47 + HB3 PHE 46 OK 100 100 - 100 - 4.2=100 H GLN 58 - HB3 PHE 46 OK 25 89 - 28 - 4646/2.4=9, 3948/3.0=7...(7) Peak 3953 from cnoeabs.peaks (9.23, 5.04, 61.28 ppm; 3.31 A): 1 out of 1 assignment used, quality = 0.93: * H MET 48 + HA VAL 47 OK 93 100 - 93 - 3.5=82, 3956/3.2=14...(16) Peak 3954 from cnoeabs.peaks (9.23, 1.93, 33.48 ppm; 5.51 A): 1 out of 1 assignment used, quality = 1.00: * H MET 48 + HB VAL 47 OK 100 100 - 100 - 4.4=100 Peak 3955 from cnoeabs.peaks (9.23, 0.84, 20.61 ppm; 3.65 A): 2 out of 2 assignments used, quality = 0.93: * H MET 48 + QG2 VAL 47 OK 87 100 - 87 - 4.3=60, 3953/3.2=29...(15) H MET 48 + QG1 VAL 47 OK 49 56 - 87 - 4.3=60, 3953/3.2=29...(17) Peak 3956 from cnoeabs.peaks (9.23, 0.82, 20.93 ppm; 3.64 A): 2 out of 2 assignments used, quality = 0.94: * H MET 48 + QG1 VAL 47 OK 89 100 - 89 - 4.3=60, 3953/3.2=29...(19) H MET 48 + QG2 VAL 47 OK 48 56 - 86 - 4.3=60, 3953/3.2=29...(15) Peak 3957 from cnoeabs.peaks (9.43, 5.61, 52.17 ppm; 3.21 A): 2 out of 2 assignments used, quality = 0.95: * H GLU 49 + HA MET 48 OK 90 100 - 90 - 3.6=73, 206/3.0=13...(16) H GLU 33 + HA MET 48 OK 54 97 - 56 - 4644=15, 4.6/4698=7...(17) Peak 3958 from cnoeabs.peaks (9.43, 1.79, 35.42 ppm; 4.37 A): 2 out of 4 assignments used, quality = 0.99: * H GLU 49 + HB2 MET 48 OK 97 100 - 97 - 4.7=83, 204/3.0=44...(12) H GLU 33 + HB2 MET 48 OK 71 97 - 73 - 4644/3.0=29, 3962/4.0=14...(15) H GLU 49 - HG3 GLU 37 OK 37 99 - 37 - 3.6/2417=10, 4.6/2416=7...(10) H GLU 33 - HG3 GLU 37 OK 18 95 - 19 - 4644/2417=3, 4.6/4907=2...(7) Peak 3959 from cnoeabs.peaks (9.43, 1.75, 35.42 ppm; 4.48 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 49 + HB3 MET 48 OK 98 100 - 98 - 4.7=90, 204/3.0=45...(13) H GLU 33 + HB3 MET 48 OK 73 97 - 76 - 4644/3.0=30, 3962/4.0=14...(13) Peak 3960 from cnoeabs.peaks (9.43, 2.53, 33.06 ppm; 5.18 A): 2 out of 2 assignments used, quality = 0.99: * H GLU 49 + HG2 MET 48 OK 94 100 - 94 - 208/1.8=45, 204/4.0=43...(16) H GLU 33 + HG2 MET 48 OK 86 97 - 89 - 4644/4.0=32, 3962/3.3=20...(18) Peak 3961 from cnoeabs.peaks (9.43, 2.35, 33.06 ppm; 5.15 A): 2 out of 2 assignments used, quality = 0.99: * H GLU 49 + HG3 MET 48 OK 96 100 - 96 - 208=50, 204/4.0=43...(15) H GLU 33 + HG3 MET 48 OK 80 97 - 83 - 4644/4.0=31, 3962/3.3=20...(15) Peak 3962 from cnoeabs.peaks (9.43, 1.93, 17.04 ppm; 4.01 A): 2 out of 2 assignments used, quality = 0.96: * H GLU 49 + QE MET 48 OK 83 100 - 83 - 3.6/2445=27, 208/3.3=22...(21) H GLU 33 + QE MET 48 OK 79 97 - 82 - 4644/5.3=14, 4.6/4925=14...(19) Peak 3963 from cnoeabs.peaks (9.16, 5.67, 54.09 ppm; 3.06 A): 2 out of 3 assignments used, quality = 0.91: * H VAL 50 + HA GLU 49 OK 87 100 - 87 - 3.6=63, 4.0/5034=12...(16) H ASP 53 + HA GLU 49 OK 25 99 - 25 - 3966/3.7=4, 3965/3.0=4...(7) HE ARG 27 - HA GLU 49 lone 4 65 - 6 - Peak 3964 from cnoeabs.peaks (9.16, 1.84, 35.84 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 50 + HB2 GLU 49 OK 100 100 - 100 - 4.3=100 H ASP 53 - HB2 GLU 49 OK 41 99 - 42 - 3965/1.8=11, 3966/3.0=10...(6) HE ARG 27 - HB2 GLU 49 poor 8 65 - 11 - 3965/1.8=2, 3967/3.0=2...(5) Peak 3965 from cnoeabs.peaks (9.16, 2.02, 35.84 ppm; 4.29 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 50 + HB3 GLU 49 OK 100 100 - 100 - 4.3=98, 211/3.0=44...(13) H ASP 53 - HB3 GLU 49 OK 41 99 - 42 - 3964/1.8=10, 3966/3.0=10...(7) HE ARG 27 - HB3 GLU 49 poor 7 65 - 11 - 3964/1.8=2, 3967/3.0=2...(5) Peak 3966 from cnoeabs.peaks (9.16, 2.02, 38.62 ppm; 3.92 A): 2 out of 3 assignments used, quality = 0.91: * H VAL 50 + HG2 GLU 49 OK 86 100 - 86 - 211/3.7=33, 3967/1.8=24...(15) H ASP 53 + HG2 GLU 49 OK 37 99 - 37 - 3967/1.8=10, 3965/3.0=7...(9) HE ARG 27 - HG2 GLU 49 lone 6 65 - 9 - 3967/1.8=2, 3965/3.0=1...(4) Peak 3967 from cnoeabs.peaks (9.16, 1.93, 38.62 ppm; 4.06 A): 2 out of 3 assignments used, quality = 0.92: * H VAL 50 + HG3 GLU 49 OK 87 100 - 87 - 211/3.7=35, 3966/1.8=26...(14) H ASP 53 + HG3 GLU 49 OK 38 99 - 39 - 3966/1.8=11, 3965/3.0=8...(9) HE ARG 27 - HG3 GLU 49 lone 7 65 - 10 - 3966/1.8=2, 3965/3.0=1...(5) Peak 3968 from cnoeabs.peaks (8.06, 4.75, 58.55 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 51 + HA VAL 50 OK 100 100 - 100 - 3.6=100 H THR 83 - HA VAL 50 OK 40 97 - 41 - 3970/3.2=10, 3969/3.0=10...(7) Peak 3969 from cnoeabs.peaks (8.06, 1.32, 35.93 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 51 + HB VAL 50 OK 100 100 - 100 - 4.5=100 H THR 83 - HB VAL 50 OK 26 97 - 27 - 3971/2.1=8, 3970/2.1=8...(5) Peak 3970 from cnoeabs.peaks (8.06, 0.70, 18.31 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 51 + QG1 VAL 50 OK 100 100 - 100 - 4.3=100 H THR 83 - QG1 VAL 50 OK 27 97 - 28 - 3971/2.1=8, 3969/2.1=8...(6) Peak 3971 from cnoeabs.peaks (8.06, 0.26, 21.31 ppm; 3.37 A): 2 out of 2 assignments used, quality = 0.93: * H GLU 51 + QG2 VAL 50 OK 92 100 - 92 - 220=50, 217/3.2=30...(21) H THR 83 + QG2 VAL 50 OK 19 97 - 19 - 3970/2.1=4, 3969/2.1=4...(6) Peak 3972 from cnoeabs.peaks (9.38, 5.29, 53.99 ppm; 3.04 A): 1 out of 1 assignment used, quality = 0.88: * H VAL 52 + HA GLU 51 OK 88 100 - 88 - 3.6=62, 221/3.0=18...(18) Peak 3973 from cnoeabs.peaks (9.38, 1.97, 31.04 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 52 + HB2 GLU 51 OK 100 100 - 100 - 4.6=100 Peak 3974 from cnoeabs.peaks (9.38, 1.68, 31.04 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 52 + HB3 GLU 51 OK 100 100 - 100 - 4.6=100 Peak 3975 from cnoeabs.peaks (9.38, 1.81, 36.41 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.95: * H VAL 52 + HG2 GLU 51 OK 79 100 - 79 - 222/3.9=33, 221/4.9=18...(15) H VAL 52 + HG3 GLU 51 OK 79 100 - 79 - 222/3.9=33, 221/4.9=18...(15) Peak 3976 from cnoeabs.peaks (9.38, 1.81, 36.41 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.95: H VAL 52 + HG2 GLU 51 OK 79 100 - 79 - 222/3.9=33, 221/4.9=18...(15) * H VAL 52 + HG3 GLU 51 OK 79 100 - 79 - 222/3.9=33, 221/4.9=18...(15) Peak 3977 from cnoeabs.peaks (9.15, 4.27, 60.84 ppm; 3.03 A): 3 out of 3 assignments used, quality = 0.88: * H ASP 53 + HA VAL 52 OK 81 100 - 81 - 3.6=62, 2.9/6130=16...(8) HE ARG 27 + HA VAL 52 OK 22 85 - 25 - 6004/3.2=6, 6004/3.2=6...(9) H VAL 50 + HA VAL 52 OK 21 99 - 21 - 4.0/5116=7, 984/3.0=4...(7) Peak 3978 from cnoeabs.peaks (9.15, 2.16, 33.84 ppm; 5.43 A): 4 out of 6 assignments used, quality = 1.00: * H ASP 53 + HB VAL 52 OK 100 100 - 100 - 4.4=100 H ASP 53 + HG2 GLN 55 OK 69 98 - 71 - 5143/4.9=29, 229=16...(12) HE ARG 27 + HB VAL 52 OK 60 85 - 71 - 6004/2.1=20, 6004/2.1=20...(13) H VAL 50 + HB VAL 52 OK 54 99 - 55 - 4.0/5118=19, 984/4.0=12...(11) H VAL 50 - HG2 GLN 55 OK 29 95 - 30 - 4.0/5118=10, 5197/4.9=6...(10) HE ARG 27 - HG2 GLN 55 OK 17 80 - 21 - 5997/3.5=4, 5197/4.9=2...(9) Peak 3979 from cnoeabs.peaks (9.15, 0.94, 22.15 ppm; 3.36 A): 4 out of 6 assignments used, quality = 0.99: * H ASP 53 + QG1 VAL 52 OK 81 100 - 81 - 4.3=48, 228/3.2=24...(11) H ASP 53 + QG2 VAL 52 OK 79 98 - 81 - 4.3=48, 228/3.2=24...(11) HE ARG 27 + QG1 VAL 52 OK 48 85 - 56 - 6004=10, 6004/2.1=9...(16) HE ARG 27 + QG2 VAL 52 OK 45 80 - 57 - 6004=9, 6004/2.1=9...(16) H VAL 50 - QG1 VAL 52 OK 33 99 - 33 - 4.0/5131=11, 3977/3.2=5...(9) H VAL 50 - QG2 VAL 52 OK 32 95 - 34 - 4.0/5131=10, 3977/3.2=5...(10) Peak 3980 from cnoeabs.peaks (9.15, 0.94, 22.04 ppm; 3.36 A): 4 out of 6 assignments used, quality = 0.99: * H ASP 53 + QG2 VAL 52 OK 81 100 - 81 - 4.3=48, 228/3.2=24...(11) H ASP 53 + QG1 VAL 52 OK 79 98 - 81 - 4.3=48, 228/3.2=24...(11) HE ARG 27 + QG2 VAL 52 OK 48 85 - 57 - 6004=9, 6004/2.1=9...(16) HE ARG 27 + QG1 VAL 52 OK 45 80 - 57 - 6004=9, 6004/2.1=9...(16) H VAL 50 - QG2 VAL 52 OK 34 99 - 34 - 4.0/5131=9, 3977/3.2=5...(11) H VAL 50 - QG1 VAL 52 OK 31 95 - 33 - 4.0/5131=10, 3977/3.2=5...(9) Peak 3981 from cnoeabs.peaks (8.78, 4.24, 54.76 ppm; 3.24 A): 3 out of 16 assignments used, quality = 0.89: * H GLY 54 + HA ASP 53 OK 84 100 - 84 - 3.6=75, 232/2.9=18...(5) H PHE 57 + HA ASP 53 OK 17 90 - 19 - 985/2.9=7, 5095/4.8=3...(6) H GLY 54 + HA LEU 30 OK 15 86 - 18 - 233=6, 4.6/744=3...(6) H GLY 54 - HA LEU 87 poor 10 86 - 11 - 233=4, 4.5/5150=2...(5) H ASN 18 - HA ASP 53 lone 7 100 - 7 - 985/2.9=2, 5095/4.8=1 H PHE 57 - HA LEU 30 lone 6 72 - 8 - 5247/3.0=2, 5249/5003=1 H LEU 34 - HA ASP 53 lone 5 97 - 6 - 985/2.9=2 H PHE 57 - HA LEU 87 lone 5 73 - 7 - 247/2.9=1 H GLY 54 - HA LEU 85 lone 4 77 - 5 - 233=1 H ASN 18 - HA LEU 30 lone 2 86 - 3 - H PHE 57 - HA LEU 85 lone 2 64 - 3 - H ASN 18 - HA LEU 87 lone 2 86 - 2 - H LEU 34 - HA LEU 87 lone 1 81 - 2 - H LEU 34 - HA LEU 30 lone 1 81 - 1 - H LEU 34 - HA LEU 85 lone 1 72 - 2 - H ASN 18 - HA LEU 85 lone 1 77 - 1 - Peak 3982 from cnoeabs.peaks (8.78, 2.90, 38.14 ppm; 5.69 A): 1 out of 8 assignments used, quality = 1.00: * H GLY 54 + HB2 ASP 53 OK 100 100 - 100 - 4.6=100 H PHE 57 - HB2 ASP 53 OK 33 90 - 37 - 5237/4.1=13, 3983/1.8=10...(9) H ASN 18 - HB2 ASP 53 OK 15 100 - 15 - 985/4.1=4, 3983/1.8=4 H ASN 18 - HB2 ASN 24 OK 13 60 - 21 - ~1426=4, ~1432=4...(7) H LEU 34 - HB2 ASP 53 OK 12 97 - 12 - 985/4.1=4, 3983/1.8=3 H GLY 54 - HB2 ASN 24 lone 6 60 - 10 - 234=2, 4.5/5178=1...(5) H PHE 57 - HB2 ASN 24 lone 3 49 - 6 - H LEU 34 - HB2 ASN 24 lone 2 56 - 4 - 149/3.0=1 Peak 3983 from cnoeabs.peaks (8.78, 2.78, 38.14 ppm; 5.28 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 54 + HB3 ASP 53 OK 100 100 - 100 - 4.6=100 H PHE 57 - HB3 ASP 53 OK 36 90 - 40 - 5237/4.1=12, 3982/1.8=6...(14) H ASN 18 - HB3 ASP 53 OK 14 100 - 14 - 985/4.1=4, 3982/1.8=3...(4) H LEU 34 - HB3 ASP 53 OK 12 97 - 12 - 985/4.1=4, 3982/1.8=2...(4) Peak 3984 from cnoeabs.peaks (8.02, 3.64, 45.16 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 55 + HA2 GLY 54 OK 100 100 - 100 - 3.6=100 Peak 3985 from cnoeabs.peaks (8.02, 4.07, 45.16 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 55 + HA3 GLY 54 OK 100 100 - 100 - 3.6=100 H GLN 55 - HA3 GLY 61 OK 18 97 - 18 - 238=7, 3.6/2565=5...(4) Peak 3986 from cnoeabs.peaks (8.20, 4.42, 54.02 ppm; 2.84 A): 2 out of 5 assignments used, quality = 0.75: * H LYS 56 + HA GLN 55 OK 70 100 - 70 - 3.6=50, 239/2.9=13...(10) H LEU 79 + HA GLN 55 OK 16 98 - 17 - 987/2.9=3, 3987/3.0=2...(6) H LEU 87 - HA GLN 55 lone 8 97 - 8 - 987/2.9=2 HE21 GLN 58 - HA GLN 55 lone 7 97 - 7 - 987/2.9=1 H GLU 22 - HA GLN 55 poor 6 60 - 11 - 240=2, 4.6/2573=2...(4) Peak 3987 from cnoeabs.peaks (8.20, 2.04, 31.63 ppm; 4.27 A): 2 out of 10 assignments used, quality = 0.96: * H LYS 56 + HB2 GLN 55 OK 94 100 - 94 - 4.6=79, 240/3.0=31...(8) H LEU 79 + HB2 GLN 55 OK 44 98 - 45 - 3988/1.8=7, 3990/2.9=7...(13) H GLU 22 - HB2 MET 21 OK 17 19 - 87 - 4.6=78, 67/1.8=11...(12) H LEU 87 - HB2 GLN 55 OK 16 97 - 17 - 3986/3.0=3, 987/3.9=3...(5) HE21 GLN 58 - HB2 GLN 55 OK 16 97 - 17 - 5302=3, 3986/3.0=3...(6) H GLU 22 - HB2 GLN 55 OK 15 60 - 26 - 4.6/2581=5, 4.6/5187=4...(9) H LYS 56 - HB2 MET 21 OK 12 42 - 28 - 243/1.8=6, 3.6/2571=3...(12) HE21 GLN 58 - HB2 MET 21 poor 4 38 - 12 - 5302=2, 959/4.0=2...(5) H LEU 79 - HB2 MET 21 poor 4 39 - 10 - 4.6/1099=2, 4.8/5848=2 H LEU 87 - HB2 MET 21 lone 2 38 - 4 - Peak 3988 from cnoeabs.peaks (8.20, 1.75, 31.63 ppm; 4.00 A): 3 out of 10 assignments used, quality = 0.94: * H LYS 56 + HB3 GLN 55 OK 87 100 - 87 - 4.6=65, 240/3.0=29...(7) H LEU 79 + HB3 GLN 55 OK 37 98 - 37 - 3987/1.8=7, 3986/3.0=6...(11) H LEU 79 + HB3 LYS 65 OK 25 87 - 29 - 1011/3.8=4, 892/3.0=3...(11) H LYS 56 - HB3 LYS 65 OK 24 91 - 27 - 242=5, 3.6/2586=4...(8) H LEU 87 - HB3 GLN 55 OK 15 97 - 15 - 3986/3.0=3, 987/3.9=3...(5) H GLU 22 - HB3 GLN 55 OK 14 60 - 23 - 4.6/2589=4, 4.6/5190=4...(9) HE21 GLN 58 - HB3 GLN 55 OK 12 97 - 12 - 3986/3.0=3, 3987/1.8=2...(5) H LEU 87 - HB3 LYS 65 lone 7 85 - 9 - 4.6/303=2, 1015/4.4=1 HE21 GLN 58 - HB3 LYS 65 lone 3 85 - 3 - H GLU 22 - HB3 LYS 65 lone 2 49 - 4 - Peak 3989 from cnoeabs.peaks (8.20, 2.17, 33.96 ppm; 4.66 A): 3 out of 10 assignments used, quality = 1.00: * H LYS 56 + HG2 GLN 55 OK 100 100 - 100 - 4.7=100 H LYS 56 + HB VAL 52 OK 62 98 - 64 - 5233/4.0=20, 4.6/2593=13...(13) H LEU 79 + HG2 GLN 55 OK 52 98 - 54 - 4.8/5847=10, 3990/1.8=9...(14) H LEU 79 - HB VAL 52 OK 40 94 - 42 - 4.8/5847=14, 4.8/5852=7...(13) H GLU 22 - HG2 GLN 55 OK 22 60 - 36 - 3.6/1509=9, 4.6/574=7...(9) H LEU 87 - HG2 GLN 55 OK 21 97 - 22 - 3990/1.8=3, 3986/3.8=3...(5) H LEU 87 - HB VAL 52 OK 19 92 - 20 - 412/3.0=4, ~6130=3...(6) HE21 GLN 58 - HG2 GLN 55 OK 17 97 - 17 - 3990/1.8=3, 3987/2.9=3...(5) H GLU 22 - HB VAL 52 poor 8 56 - 14 - 3.6/1509=3, 4.6/574=2...(5) HE21 GLN 58 - HB VAL 52 lone 7 92 - 7 - Peak 3990 from cnoeabs.peaks (8.20, 2.04, 33.96 ppm; 4.72 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 56 + HG3 GLN 55 OK 100 100 - 100 - 4.7=100 H LEU 79 + HG3 GLN 55 OK 50 98 - 51 - 3987/2.9=7, 4.6/5193=7...(14) H LEU 87 - HG3 GLN 55 OK 18 97 - 19 - 3986/3.8=3, 987/4.9=3...(5) HE21 GLN 58 - HG3 GLN 55 OK 18 97 - 18 - 5302=3, 3987/2.9=3...(6) H GLU 22 - HG3 GLN 55 OK 17 60 - 29 - 4.6/2605=7, 67/1.8=4...(9) Peak 3991 from cnoeabs.peaks (8.80, 4.66, 55.29 ppm; 3.25 A): 2 out of 4 assignments used, quality = 0.94: * H PHE 57 + HA LYS 56 OK 90 100 - 90 - 3.6=76, 5243/6052=7...(25) H LEU 34 + HA LYS 56 OK 37 99 - 37 - 666/4.0=5, 4.7/2613=5...(15) H ASN 18 - HA LYS 56 OK 21 93 - 23 - 3992/3.0=3, 988/3.0=3...(10) H GLY 54 - HA LYS 56 OK 17 90 - 18 - 988/3.0=3, 5092/6054=2...(6) Peak 3992 from cnoeabs.peaks (8.80, 1.50, 34.15 ppm; 4.75 A): 3 out of 4 assignments used, quality = 1.00: * H PHE 57 + HB2 LYS 56 OK 100 100 - 100 - 4.6=100 H LEU 34 + HB2 LYS 56 OK 75 99 - 75 - 666/2.9=14, 3993/1.8=11...(25) H ASN 18 + HB2 LYS 56 OK 51 93 - 55 - 3.6/5223=9, 3993/1.8=7...(17) H GLY 54 - HB2 LYS 56 OK 37 90 - 41 - 988/4.0=6, 3993/1.8=5...(12) Peak 3993 from cnoeabs.peaks (8.80, 1.38, 34.15 ppm; 4.75 A): 3 out of 4 assignments used, quality = 1.00: * H PHE 57 + HB3 LYS 56 OK 100 100 - 100 - 4.6=100 H LEU 34 + HB3 LYS 56 OK 69 99 - 70 - 666/2.9=14, 3992/1.8=11...(23) H ASN 18 + HB3 LYS 56 OK 45 93 - 48 - 3992/1.8=8, 3994/2.9=6...(15) H GLY 54 - HB3 LYS 56 OK 33 90 - 36 - 3992/1.8=6, 988/4.0=6...(11) Peak 3994 from cnoeabs.peaks (8.80, 1.07, 25.28 ppm; 4.83 A): 3 out of 4 assignments used, quality = 0.99: * H PHE 57 + HG2 LYS 56 OK 89 100 - 89 - 3991/4.0=21, 251=18...(24) H LEU 34 + HG2 LYS 56 OK 80 99 - 81 - 666=17, 4.0/2080=12...(25) H ASN 18 + HG2 LYS 56 OK 46 93 - 50 - 3992/2.9=7, 3993/2.9=6...(14) H GLY 54 - HG2 LYS 56 OK 39 90 - 43 - 988/4.7=5, 3992/2.9=5...(16) Peak 3995 from cnoeabs.peaks (8.80, 1.28, 25.28 ppm; 5.42 A): 4 out of 12 assignments used, quality = 0.99: * H PHE 57 + HG3 LYS 56 OK 89 100 - 90 - 3991/4.0=24, 251/1.8=17...(20) H LEU 34 + HG3 LYS 56 OK 75 99 - 76 - 666/1.8=18, 3992/2.9=11...(21) H ASN 18 + HG3 LYS 56 OK 57 93 - 61 - 3.6/1334=8, 3994/1.8=8...(16) H ASN 18 + HG3 LYS 17 OK 50 50 - 100 - 4.9=100 H GLY 54 - HG3 LYS 56 OK 40 90 - 44 - 3994/1.8=7, 988/4.7=6...(13) H PHE 57 - HG3 LYS 17 OK 29 59 - 50 - 4.6/2624=7, 3.6/2614=7...(16) H LEU 34 - HG3 LYS 17 OK 26 57 - 45 - ~2104=9, 667/1.8=6...(12) H ASN 18 - HG3 LYS 65 OK 25 79 - 31 - 3.6/1334=6, 4.7/555=4...(7) H PHE 57 - HG3 LYS 65 OK 20 90 - 22 - 3.6/2614=3, 4.6/763=3...(6) H LEU 34 - HG3 LYS 65 OK 12 88 - 13 - 664/1.8=1 H GLY 54 - HG3 LYS 65 lone 7 76 - 9 - 234/3.8=1, 234/3.8=1 H GLY 54 - HG3 LYS 17 poor 5 48 - 11 - 3821/3.9=1 Peak 3997 from cnoeabs.peaks (8.80, 1.39, 28.78 ppm; 6.17 A): 3 out of 4 assignments used, quality = 1.00: * H PHE 57 + HD3 LYS 56 OK 94 100 - 94 - 3991/5.3=23, 251/3.0=17...(24) H LEU 34 + HD3 LYS 56 OK 82 99 - 82 - 666/3.0=17, 4.7/2673=16...(22) H ASN 18 + HD3 LYS 56 OK 58 93 - 63 - 3992/3.4=9, 3994/3.0=8...(19) H GLY 54 - HD3 LYS 56 OK 43 90 - 48 - 3994/3.0=7, 3992/3.4=6...(13) Peak 3998 from cnoeabs.peaks (8.80, 2.82, 41.78 ppm; 4.06 A): 3 out of 12 assignments used, quality = 0.99: H PHE 57 + HB3 PHE 57 OK 84 84 - 100 - 4.0=100 H PHE 57 + HE3 LYS 56 OK 74 100 - 74 - 255=12, 255/1.8=10...(26) * H PHE 57 + HE2 LYS 56 OK 74 100 - 74 - 255=12, 255/1.8=11...(26) H LEU 34 - HE2 LYS 56 OK 42 99 - 42 - 666/3.6=9, 664/3.0=6...(13) H LEU 34 - HE3 LYS 56 OK 42 99 - 42 - 666/3.6=9, 664/3.0=6...(13) H ASN 18 - HE2 LYS 56 OK 26 93 - 28 - 3994/3.6=4, 3992/4.8=3...(11) H ASN 18 - HE3 LYS 56 OK 26 93 - 28 - 3994/3.6=4, 3992/4.8=3...(11) H GLY 54 - HE2 LYS 56 OK 23 90 - 25 - 235/1.8=4, 3994/3.6=3...(11) H GLY 54 - HE3 LYS 56 OK 22 90 - 25 - 3994/3.6=3, 3992/4.8=2...(11) H LEU 34 - HB3 PHE 57 OK 22 83 - 27 - 2699/3.0=6, 4649/2.5=5...(4) H GLY 54 - HB3 PHE 57 OK 19 71 - 27 - 4649/2.5=5, 2705/1.8=4...(8) H ASN 18 - HB3 PHE 57 OK 14 74 - 19 - 4649/2.5=4, 2699/3.0=4...(5) Peak 3999 from cnoeabs.peaks (8.80, 2.81, 41.78 ppm; 3.93 A): 3 out of 12 assignments used, quality = 0.99: H PHE 57 + HB3 PHE 57 OK 87 89 - 98 - 4.0=91, 773/2.5=31...(17) * H PHE 57 + HE3 LYS 56 OK 72 100 - 72 - 255=12, 255/1.8=10...(25) H PHE 57 + HE2 LYS 56 OK 72 100 - 72 - 255=12, 255/1.8=10...(25) H LEU 34 - HE3 LYS 56 OK 40 99 - 40 - 666/3.6=9, 664/3.0=5...(13) H LEU 34 - HE2 LYS 56 OK 40 99 - 40 - 666/3.6=9, 664/3.0=5...(13) H ASN 18 - HE3 LYS 56 OK 24 93 - 26 - 3994/3.6=4, 3992/4.8=3...(11) H ASN 18 - HE2 LYS 56 OK 24 93 - 26 - 3994/3.6=4, 3992/4.8=3...(11) H LEU 34 - HB3 PHE 57 OK 22 87 - 25 - 2699/3.0=6, 4649/2.5=5...(4) H GLY 54 - HE3 LYS 56 OK 22 90 - 24 - 3994/3.6=3, 3992/4.8=2...(10) H GLY 54 - HE2 LYS 56 OK 21 90 - 24 - 235/1.8=3, 3994/3.6=3...(10) H GLY 54 - HB3 PHE 57 OK 20 75 - 27 - 4649/2.5=5, 2705/1.8=4...(8) H ASN 18 - HB3 PHE 57 OK 14 78 - 18 - 4649/2.5=4, 2699/3.0=3...(5) Peak 4000 from cnoeabs.peaks (8.64, 4.65, 57.36 ppm; 2.90 A): 2 out of 2 assignments used, quality = 0.74: * H GLN 58 + HA PHE 57 OK 71 100 - 71 - 3.6=54, 4.5/2704=10...(9) H VAL 47 + HA PHE 57 OK 12 89 - 14 - 258=3, 989/2.9=3...(5) Peak 4001 from cnoeabs.peaks (8.64, 3.17, 41.58 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 58 + HB2 PHE 57 OK 100 100 - 100 - 4.7=100 H VAL 47 - HB2 PHE 57 OK 29 89 - 32 - 4648/2.5=9, 4000/3.0=7...(7) Peak 4002 from cnoeabs.peaks (8.64, 2.80, 41.58 ppm; 4.83 A): 3 out of 6 assignments used, quality = 1.00: * H GLN 58 + HB3 PHE 57 OK 100 100 - 100 - 4.7=100 H GLN 58 + HE3 LYS 56 OK 49 89 - 55 - 260=10, 3.6/2702=10...(15) H GLN 58 + HE2 LYS 56 OK 46 84 - 55 - 260=10, 3.6/2702=9...(14) H VAL 47 - HB3 PHE 57 OK 30 89 - 34 - 4001/1.8=9, 4648/2.5=9...(6) H VAL 47 - HE3 LYS 56 OK 12 73 - 16 - 4828/3.6=4, 4824/4.8=2...(5) H VAL 47 - HE2 LYS 56 OK 11 69 - 16 - 4828/3.6=4, 4824/4.8=2...(4) Peak 4005 from cnoeabs.peaks (8.84, 5.81, 53.90 ppm; 3.04 A): 1 out of 1 assignment used, quality = 0.90: * H GLY 59 + HA GLN 58 OK 90 100 - 90 - 3.6=62, 4007/2.9=16...(15) Peak 4006 from cnoeabs.peaks (8.84, 1.96, 31.62 ppm; 4.21 A): 1 out of 3 assignments used, quality = 0.99: * H GLY 59 + HB2 GLN 58 OK 99 100 - 99 - 4.3=93, 264/2.9=44...(13) H GLY 59 - HB3 PRO 81 OK 41 92 - 45 - 3.6/2738=11, 265=8...(9) H GLY 59 - HB VAL 20 poor 8 66 - 12 - 3.6/2738=2, 4.3/2747=2...(4) Peak 4007 from cnoeabs.peaks (8.84, 1.89, 31.62 ppm; 4.15 A): 1 out of 1 assignment used, quality = 0.99: * H GLY 59 + HB3 GLN 58 OK 99 100 - 99 - 4.3=89, 264/2.9=43...(14) Peak 4008 from cnoeabs.peaks (8.84, 2.39, 33.72 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.95: * H GLY 59 + HG2 GLN 58 OK 95 100 - 95 - 267=50, 4009/1.8=40...(15) Peak 4009 from cnoeabs.peaks (8.84, 2.27, 33.72 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.92: * H GLY 59 + HG3 GLN 58 OK 92 100 - 92 - 267/1.8=40, 264/4.0=37...(11) Peak 4010 from cnoeabs.peaks (8.31, 4.06, 44.69 ppm; 3.42 A): 1 out of 6 assignments used, quality = 0.97: * H ALA 60 + HA2 GLY 59 OK 97 100 - 97 - 3.5=89, 273/1.8=38...(12) H TYR 70 - HA2 GLY 59 OK 36 71 - 50 - 4.6/5331=13, 4.0/5320=12...(9) H GLY 16 - HA2 GLY 59 OK 15 83 - 18 - 4.5/5320=5, 4011/1.8=4...(5) H LEU 85 - HA2 GLY 59 lone 8 100 - 8 - 4011/1.8=2, 991/3.0=2 H GLU 37 - HA2 GLY 59 lone 6 99 - 6 - 4011/1.8=1, 991/3.0=1 H LYS 64 - HA2 GLY 59 lone 4 85 - 4 - Peak 4011 from cnoeabs.peaks (8.31, 4.45, 44.69 ppm; 3.30 A): 2 out of 6 assignments used, quality = 0.94: * H ALA 60 + HA3 GLY 59 OK 92 100 - 92 - 3.5=80, 272/1.8=22...(10) H TYR 70 + HA3 GLY 59 OK 27 71 - 38 - 4.0/5325=11, 4.6/5649=10...(7) H GLY 16 - HA3 GLY 59 OK 16 83 - 20 - 4.5/5325=5, 4010/1.8=3...(6) H LEU 85 - HA3 GLY 59 lone 7 100 - 7 - 4010/1.8=2, 991/3.0=2 H GLU 37 - HA3 GLY 59 lone 5 99 - 5 - 4010/1.8=1, 991/3.0=1 H LYS 64 - HA3 GLY 59 lone 4 85 - 4 - Peak 4012 from cnoeabs.peaks (8.53, 6.08, 49.56 ppm; 3.18 A): 1 out of 3 assignments used, quality = 0.88: * H GLY 61 + HA ALA 60 OK 88 100 - 88 - 3.6=71, 4013/2.1=25...(13) H ASP 82 - HA ALA 60 lone 10 99 - 10 - 4013/2.1=3, 992/3.0=2...(4) H LEU 76 - HA ALA 60 lone 9 97 - 9 - 4013/2.1=3, 992/3.0=2 Peak 4013 from cnoeabs.peaks (8.53, 1.31, 23.27 ppm; 3.29 A): 3 out of 3 assignments used, quality = 0.94: * H GLY 61 + QB ALA 60 OK 93 100 - 93 - 3.6=79, 275/2.1=35...(14) H LEU 76 + QB ALA 60 OK 11 97 - 11 - 4012/2.1=3, 992/2.9=2...(4) H ASP 82 + QB ALA 60 OK 10 99 - 10 - 4012/2.1=3, 992/2.9=2 Peak 4014 from cnoeabs.peaks (8.89, 4.49, 45.16 ppm; 4.51 A): 2 out of 2 assignments used, quality = 1.00: * H SER 62 + HA2 GLY 61 OK 100 100 - 100 - 3.6=100 H LYS 14 + HA2 GLY 61 OK 45 96 - 47 - 22=11, 4.1/5378=11...(11) Peak 4015 from cnoeabs.peaks (8.89, 4.08, 45.16 ppm; 4.49 A): 1 out of 4 assignments used, quality = 1.00: * H SER 62 + HA3 GLY 61 OK 100 100 - 100 - 3.6=100 H LYS 14 - HA3 GLY 61 OK 37 96 - 39 - 4014/1.8=12, 4.1/5379=9...(9) H SER 62 - HA3 GLY 54 OK 20 97 - 20 - 279=6, 3.6/2783=5...(4) H LYS 14 - HA3 GLY 54 lone 5 91 - 6 - 4.1/5379=1 Peak 4016 from cnoeabs.peaks (7.52, 4.71, 59.42 ppm; 4.98 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 63 + HA SER 62 OK 100 100 - 100 - 3.6=100 H ALA 69 - HA SER 62 OK 22 100 - 22 - 994/3.0=8, 4018/3.0=6...(4) HE22 GLN 55 - HA SER 62 poor 9 92 - 10 - 994/3.0=4, 4018/3.0=3 Peak 4017 from cnoeabs.peaks (7.52, 4.12, 63.26 ppm; 4.87 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 63 + HB2 SER 62 OK 100 100 - 100 - 4.3=100 H ALA 69 - HB2 SER 62 OK 23 100 - 23 - 4018/1.8=7, 994/3.9=6...(4) HE22 GLN 55 - HB2 SER 62 poor 10 92 - 10 - 994/3.9=3, 4018/1.8=3 Peak 4018 from cnoeabs.peaks (7.52, 3.99, 63.26 ppm; 4.75 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 63 + HB3 SER 62 OK 100 100 - 100 - 4.3=100 H ALA 69 - HB3 SER 62 OK 23 100 - 23 - 4017/1.8=7, 994/3.9=6...(4) HE22 GLN 55 - HB3 SER 62 poor 9 92 - 10 - 994/3.9=3, 4017/1.8=3 Peak 4019 from cnoeabs.peaks (8.29, 4.62, 51.74 ppm; 4.30 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 64 + HA ASN 63 OK 100 100 - 100 - 3.6=100 H VAL 66 - HA ASN 63 OK 23 60 - 38 - 995/2.9=8, 5413/4.4=8...(7) H GLY 16 - HA ASN 63 OK 21 100 - 21 - 995/2.9=5, 956/4.4=5...(6) H ALA 60 - HA ASN 63 lone 7 85 - 8 - 995/2.9=3, 4021/3.0=1 H GLU 77 - HA ASN 63 lone 5 63 - 8 - 4020/3.0=1, 5412/4.4=1 H GLU 37 - HA ASN 63 lone 3 65 - 5 - H LEU 85 - HA ASN 63 lone 3 89 - 3 - Peak 4020 from cnoeabs.peaks (8.29, 2.91, 40.65 ppm; 4.65 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 64 + HB2 ASN 63 OK 100 100 - 100 - 4.4=100 H VAL 66 - HB2 ASN 63 OK 34 60 - 56 - 4.0/5397=22, 5413/3.5=11...(10) H GLY 16 - HB2 ASN 63 OK 26 100 - 26 - 956/3.5=6, 4021/1.8=6...(6) H GLU 77 - HB2 ASN 63 poor 8 63 - 13 - 3.6/6111=3, 5412/3.5=2...(6) H ALA 60 - HB2 ASN 63 lone 8 85 - 9 - 995/4.0=2, 4021/1.8=2 H GLU 37 - HB2 ASN 63 lone 4 65 - 6 - H LEU 85 - HB2 ASN 63 lone 4 89 - 4 - Peak 4021 from cnoeabs.peaks (8.29, 2.86, 40.65 ppm; 4.38 A): 1 out of 7 assignments used, quality = 0.99: * H LYS 64 + HB3 ASN 63 OK 99 100 - 99 - 4.4=99, 286/1.8=22...(8) H VAL 66 - HB3 ASN 63 OK 29 60 - 48 - 4.0/6093=10, 5413/3.5=9...(11) H GLY 16 - HB3 ASN 63 OK 24 100 - 24 - 956/3.5=6, 4020/1.8=5...(6) H ALA 60 - HB3 ASN 63 lone 7 85 - 8 - 995/4.0=2, 4020/1.8=1 H GLU 77 - HB3 ASN 63 lone 6 63 - 9 - 4020/1.8=2, 5412/3.5=1 H GLU 37 - HB3 ASN 63 lone 3 65 - 5 - H LEU 85 - HB3 ASN 63 lone 3 89 - 4 - Peak 4022 from cnoeabs.peaks (7.85, 3.28, 60.43 ppm; 4.27 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 65 + HA LYS 64 OK 100 100 - 100 - 3.6=100 H LEU 12 - HA LYS 64 OK 39 97 - 40 - 4023/3.0=8, 4024/3.0=7...(14) H PHE 80 - HA LYS 64 OK 19 87 - 22 - 6.3/5415=4, 996/3.0=3...(8) HD21 ASN 24 - HA LYS 64 OK 12 71 - 17 - 996/3.0=4, ~286=3...(6) Peak 4023 from cnoeabs.peaks (7.85, 1.36, 32.26 ppm; 4.72 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 65 + HB2 LYS 64 OK 100 100 - 100 - 4.6=100 H LEU 12 + HB2 LYS 64 OK 51 97 - 53 - 4024/1.8=10, 4022/3.0=8...(14) H PHE 80 - HB2 LYS 64 OK 18 87 - 21 - 4024/1.8=4, 4022/3.0=4...(6) HD21 ASN 24 - HB2 LYS 64 poor 10 71 - 14 - 996/4.0=4, 4022/3.0=3...(4) Peak 4024 from cnoeabs.peaks (7.85, 1.44, 32.26 ppm; 4.54 A): 1 out of 8 assignments used, quality = 0.97: * H LYS 65 + HB3 LYS 64 OK 97 100 - 97 - 4.6=94, 290/4.0=16...(12) H LEU 12 - HB3 LYS 64 OK 45 97 - 46 - 4023/1.8=11, 4022/3.0=8...(14) H PHE 80 - HB3 LYS 64 OK 19 87 - 22 - 4022/3.0=4, 4023/1.8=4...(7) H LYS 65 - HB3 ARG 45 OK 14 62 - 23 - 3.6/2838=6, 4.9/2841=5...(6) HD21 ASN 24 - HB3 LYS 64 poor 9 71 - 12 - 996/4.0=4, 4022/3.0=2...(4) H LEU 12 - HB3 ARG 45 lone 4 56 - 6 - H PHE 80 - HB3 ARG 45 lone 3 47 - 6 - 901/5.0=1 HD21 ASN 24 - HB3 ARG 45 lone 1 36 - 2 - Peak 4025 from cnoeabs.peaks (7.85, 0.58, 26.14 ppm; 6.20 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 65 + HG2 LYS 64 OK 100 100 - 100 - 4.9=100 H LEU 12 + HG2 LYS 64 OK 50 97 - 52 - 4023/3.0=13, 4024/3.0=11...(9) H PHE 80 - HG2 LYS 64 OK 29 87 - 34 - 6.3/5441=9, 4022/4.1=5...(8) HD21 ASN 24 - HG2 LYS 64 OK 12 71 - 17 - 996/4.8=6, 4022/4.1=3...(4) Peak 4031 from cnoeabs.peaks (8.26, 3.74, 59.94 ppm; 3.99 A): 1 out of 7 assignments used, quality = 1.00: * H VAL 66 + HA LYS 65 OK 100 100 - 100 - 3.6=100 H GLU 77 - HA LYS 65 OK 34 100 - 34 - 997/2.9=6, 4032/3.0=5...(9) H ASP 88 - HA LYS 65 OK 26 96 - 27 - 301=6, 997/2.9=5...(8) H LYS 64 - HA LYS 65 OK 23 60 - 38 - 290/2.9=10, 3.0/5428=5...(13) H ALA 86 - HA LYS 65 OK 15 96 - 15 - 997/2.9=2, 4032/3.0=2...(5) H GLY 16 - HA LYS 65 poor 8 63 - 12 - ~4307=2, 290/2.9=2...(6) H GLU 22 - HA LYS 65 lone 4 60 - 6 - Peak 4032 from cnoeabs.peaks (8.26, 1.79, 31.71 ppm; 3.76 A): 6 out of 14 assignments used, quality = 0.94: * H VAL 66 + HB2 LYS 65 OK 82 100 - 82 - 4.4=63, 303/1.8=18...(11) H GLU 77 + HB2 LYS 65 OK 31 100 - 32 - 997/3.8=4, 4031/3.0=4...(11) H ASP 88 + HB2 LYS 65 OK 20 96 - 21 - 4033/1.8=3, 4031/3.0=3...(6) H LYS 64 + HB2 LYS 65 OK 19 60 - 31 - 4.6/2917=12, ~5428=5...(7) H ALA 86 + HB2 LYS 65 OK 14 96 - 14 - 4033/1.8=2, 4031/3.0=2...(7) H VAL 66 + HB2 GLU 37 OK 11 60 - 19 - 823/1.8=5, ~3003=3...(7) H GLY 16 - HB2 LYS 65 poor 8 63 - 13 - ~4307=2, 4033/1.8=1...(6) H GLU 77 - HB2 GLU 37 lone 3 60 - 5 - H GLU 22 - HB2 LYS 65 lone 3 60 - 5 - H ALA 86 - HB2 GLU 37 lone 2 53 - 4 - 404/4.1=1 H ASP 88 - HB2 GLU 37 lone 1 53 - 2 - H LYS 64 - HB2 GLU 37 lone 1 29 - 3 - H GLU 22 - HB2 GLU 37 lone 1 29 - 3 - H GLY 16 - HB2 GLU 37 lone 0 31 - 1 - Peak 4033 from cnoeabs.peaks (8.26, 1.74, 31.71 ppm; 3.76 A): 7 out of 14 assignments used, quality = 0.95: * H VAL 66 + HB3 LYS 65 OK 82 100 - 82 - 4.4=63, 4032/1.8=16...(13) H GLU 77 + HB3 LYS 65 OK 26 100 - 26 - 4032/1.8=6, 997/3.8=4...(7) H VAL 66 + HB3 GLN 55 OK 22 91 - 24 - 303=5, 3.6/2928=5...(7) H ASP 88 + HB3 LYS 65 OK 21 96 - 22 - 4032/1.8=4, 303=4...(6) H LYS 64 + HB3 LYS 65 OK 19 60 - 32 - 4.6/814=12, ~5428=5...(8) H ALA 86 + HB3 LYS 65 OK 14 96 - 14 - 4032/1.8=3, 4031/3.0=2...(7) H GLU 77 + HB3 GLN 55 OK 11 91 - 12 - ~6049=3, 4.6/5189=2...(4) H GLY 16 - HB3 LYS 65 poor 9 63 - 15 - 3.0/4307=2, 4.6/552=2...(7) H GLU 22 - HB3 GLN 55 poor 8 49 - 15 - 4.6/2589=3, 4446/3.0=3...(6) H ASP 88 - HB3 GLN 55 lone 7 84 - 9 - 414/4.6=1 H ALA 86 - HB3 GLN 55 lone 4 84 - 5 - 1014/4.6=1 H GLU 22 - HB3 LYS 65 lone 3 60 - 6 - H LYS 64 - HB3 GLN 55 lone 3 49 - 5 - 4.6/814=2 H GLY 16 - HB3 GLN 55 lone 1 52 - 2 - Peak 4034 from cnoeabs.peaks (8.26, 1.45, 25.33 ppm; 5.73 A): 4 out of 7 assignments used, quality = 0.95: * H VAL 66 + HG2 LYS 65 OK 80 100 - 80 - 300/5.0=23, 303/3.0=21...(12) H GLU 77 + HG2 LYS 65 OK 49 100 - 49 - 4032/3.0=8, 4031/3.7=7...(15) H ASP 88 + HG2 LYS 65 OK 33 96 - 35 - 4031/3.7=5, 4032/3.0=5...(10) H LYS 64 + HG2 LYS 65 OK 30 60 - 50 - 4.6/2937=21, 4031/3.7=5...(16) H ALA 86 - HG2 LYS 65 OK 26 96 - 26 - 4035/1.8=4, 4032/3.0=3...(10) H GLY 16 - HG2 LYS 65 OK 18 63 - 29 - ~4307=4, ~4310=4...(11) H GLU 22 - HG2 LYS 65 lone 6 60 - 10 - ~6202=1, 4035/1.8=1 Peak 4035 from cnoeabs.peaks (8.26, 1.26, 25.33 ppm; 5.04 A): 4 out of 14 assignments used, quality = 0.93: * H VAL 66 + HG3 LYS 65 OK 76 100 - 77 - 303/3.0=20, 300/5.0=19...(11) H GLU 77 + HG3 LYS 65 OK 40 100 - 40 - 4032/3.0=7, 4034/1.8=6...(12) H ASP 88 + HG3 LYS 65 OK 31 96 - 32 - 4031/3.7=5, 4032/3.0=4...(10) H VAL 66 + HG3 LYS 56 OK 31 90 - 34 - 3.6/2948=6, 305=5...(12) H LYS 64 - HG3 LYS 65 OK 23 60 - 39 - 4.6/2947=11, 4032/3.0=4...(11) H ALA 86 - HG3 LYS 65 OK 23 96 - 24 - 4034/1.8=3, 4032/3.0=3...(10) H GLY 16 - HG3 LYS 65 OK 17 63 - 27 - 4.6/555=4, ~4307=3...(11) H ASP 88 - HG3 LYS 56 OK 12 82 - 14 - 414/4.7=2, 4.6/2649=2...(5) H LYS 64 - HG3 LYS 56 OK 11 48 - 24 - ~5423=5, 4.6/2947=4...(8) H GLU 77 - HG3 LYS 56 poor 9 90 - 11 - 4.6/5809=1 H ALA 86 - HG3 LYS 56 poor 9 82 - 11 - 1014/4.7=2, 4.6/2649=2 H GLU 22 - HG3 LYS 56 poor 7 48 - 14 - ~6122=3, 414/4.7=2...(4) H GLU 22 - HG3 LYS 65 poor 7 60 - 11 - 4.6/587=2, ~6202=1 H GLY 16 - HG3 LYS 56 poor 5 50 - 10 - 4.6/555=6 Peak 4037 from cnoeabs.peaks (8.26, 1.58, 28.78 ppm; 6.10 A): 2 out of 28 assignments used, quality = 0.96: * H VAL 66 + HD3 LYS 65 OK 81 100 - 81 - 303/3.5=21, 4032/3.5=20...(13) H VAL 66 + HD2 LYS 65 OK 81 100 - 81 - 303/3.5=21, 4032/3.5=20...(13) H GLU 77 - HD3 LYS 65 OK 40 100 - 41 - 4034/2.8=8, 4032/3.5=8...(9) H GLU 77 - HD2 LYS 65 OK 40 100 - 41 - 4034/2.8=8, 4032/3.5=8...(9) H VAL 66 - HD3 LYS 14 OK 39 100 - 40 - 4.4/2923=6, 3.6/2968=6...(12) H VAL 66 - HD2 LYS 14 OK 39 100 - 40 - 4.4/2923=6, 3.6/2968=6...(12) H ASP 88 - HD3 LYS 65 OK 36 96 - 38 - 4034/2.8=6, 4031/4.6=5...(11) H ASP 88 - HD2 LYS 65 OK 36 95 - 38 - 4034/2.8=6, 4031/4.6=5...(11) H ALA 86 - HD3 LYS 65 OK 31 96 - 32 - 4034/2.8=4, 4035/2.8=3...(12) H ALA 86 - HD2 LYS 65 OK 31 95 - 32 - 4034/2.8=4, 4035/2.8=3...(12) H LYS 64 - HD3 LYS 65 OK 24 60 - 41 - 4.6/817=11, 4034/2.8=5...(11) H LYS 64 - HD2 LYS 65 OK 24 60 - 41 - 4.6/817=11, 4034/2.8=5...(11) H GLY 16 - HD2 LYS 65 OK 23 62 - 37 - 3.0/4308=5, ~4307=5...(13) H GLY 16 - HD3 LYS 65 OK 23 63 - 37 - 3.0/4308=5, ~4307=5...(13) H ASP 88 - HD3 LYS 14 lone 8 95 - 9 - 4.6/6026=1 H ASP 88 - HD2 LYS 14 lone 8 95 - 9 - 4.6/6026=1 H LYS 64 - HD3 LYS 14 poor 7 60 - 12 - 4.6/817=4, 286/3.0=1, 286/3.0=1 H LYS 64 - HD2 LYS 14 poor 7 60 - 12 - 4.6/817=4, 286/3.0=1, 286/3.0=1 H GLU 77 - HD2 LYS 14 lone 7 100 - 7 - H GLU 77 - HD3 LYS 14 lone 7 100 - 7 - H ALA 86 - HD3 LYS 14 lone 7 95 - 8 - H ALA 86 - HD2 LYS 14 lone 7 95 - 8 - H GLU 22 - HD3 LYS 65 poor 6 60 - 11 - ~6202=2, 4034/2.8=1, 4035/2.8=1 H GLU 22 - HD2 LYS 65 poor 6 60 - 11 - ~6202=2, 4034/2.8=1, 4035/2.8=1 H GLY 16 - HD3 LYS 14 lone 5 63 - 9 - 3.0/4308=1 H GLY 16 - HD2 LYS 14 lone 5 62 - 9 - 3.0/4308=1 H GLU 22 - HD3 LYS 14 lone 2 60 - 4 - H GLU 22 - HD2 LYS 14 lone 2 60 - 4 - Peak 4039 from cnoeabs.peaks (8.26, 2.88, 41.78 ppm; 5.58 A): 3 out of 35 assignments used, quality = 0.94: * H VAL 66 + HE3 LYS 65 OK 72 100 - 72 - 303/5.1=16, 4032/5.1=15...(12) H VAL 66 + HE2 LYS 65 OK 72 100 - 72 - 303/5.1=16, 4032/5.1=15...(12) H GLU 77 + HE3 LYS 65 OK 32 100 - 32 - 4034/3.8=6, 4032/5.1=6...(9) H GLU 77 - HE2 LYS 65 OK 32 100 - 32 - 4034/3.8=6, 4032/5.1=6...(9) H ASP 88 - HE3 LYS 65 OK 28 96 - 29 - 4034/3.8=4, 4035/3.8=4...(10) H ASP 88 - HE2 LYS 65 OK 28 95 - 29 - 4034/3.8=4, 4035/3.8=4...(10) H LYS 64 - HE2 LYS 65 OK 21 59 - 36 - 4.6/819=11, 4034/3.8=4...(13) H LYS 64 - HE3 LYS 65 OK 21 60 - 35 - 4.6/819=11, 4034/3.8=4...(12) H ALA 86 - HE3 LYS 65 OK 20 96 - 21 - 4034/3.8=3, 4035/3.8=3...(9) H ALA 86 - HE2 LYS 65 OK 20 95 - 21 - 4034/3.8=3, 4035/3.8=3...(9) H VAL 66 - HE3 LYS 14 OK 20 71 - 28 - 4.4/2926=4, 3.6/2916=3...(10) H VAL 66 - HE2 LYS 14 OK 17 63 - 27 - 4.4/2926=3, 3.6/2916=3...(10) H VAL 66 - HE3 LYS 17 OK 17 60 - 28 - 305/3.9=4, 303/5.0=3...(10) H GLY 16 - HE3 LYS 65 OK 12 63 - 19 - ~4308=3, 4300/5.1=2...(9) H GLY 16 - HE2 LYS 65 OK 12 62 - 19 - ~4308=3, 4300/5.1=2...(9) H GLU 22 - HE2 LYS 65 poor 6 59 - 10 - 4.6/4473=2 H GLU 22 - HE3 LYS 65 lone 6 60 - 10 - 4.6/4473=2 H GLU 22 - HE3 LYS 17 poor 6 29 - 19 - ~6122=3, 4.6/4429=2...(8) H GLY 16 - HE3 LYS 17 poor 5 31 - 18 - 956/7.2=7, 4300/5.0=4 H GLU 77 - HE3 LYS 14 lone 5 71 - 7 - 3.6/6111=1 H GLU 77 - HE2 LYS 14 lone 4 63 - 7 - 3.6/6111=1 H LYS 64 - HE3 LYS 14 poor 4 35 - 12 - 4.6/820=2, 4.6/797=2...(4) H LYS 64 - HE3 LYS 17 poor 4 29 - 14 - 4.6/819=2, ~2824=1...(6) H ASP 88 - HE3 LYS 17 lone 4 53 - 8 - H ASP 88 - HE3 LYS 14 lone 4 63 - 6 - H LYS 64 - HE2 LYS 14 poor 4 31 - 12 - 4.6/820=2, 4.6/797=2...(4) H GLU 77 - HE3 LYS 17 lone 3 60 - 6 - H ASP 88 - HE2 LYS 14 lone 3 56 - 6 - H ALA 86 - HE3 LYS 14 lone 3 63 - 5 - H ALA 86 - HE3 LYS 17 lone 3 53 - 5 - H ALA 86 - HE2 LYS 14 lone 3 56 - 5 - H GLY 16 - HE3 LYS 14 lone 2 37 - 5 - H GLY 16 - HE2 LYS 14 lone 2 32 - 5 - H GLU 22 - HE3 LYS 14 lone 1 35 - 4 - H GLU 22 - HE2 LYS 14 lone 1 31 - 4 - Peak 4040 from cnoeabs.peaks (7.41, 3.61, 65.20 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 67 + HA VAL 66 OK 100 100 - 100 - 3.6=100 Peak 4041 from cnoeabs.peaks (7.41, 1.84, 31.97 ppm; 3.40 A): 3 out of 4 assignments used, quality = 0.88: * H ALA 67 + HB VAL 66 OK 84 100 - 84 - 4.5=44, 4042/2.1=26...(16) H ALA 67 + HB3 GLU 37 OK 16 78 - 21 - 312=5, 3.6/3003=4...(7) H ALA 67 + HB2 GLU 37 OK 11 59 - 19 - 312/1.8=4, 312=4...(8) H ALA 67 - HB2 LYS 44 poor 4 38 - 11 - 312=2, 4.6/5534=2, 828/2.9=1 Peak 4042 from cnoeabs.peaks (7.41, 1.04, 22.54 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.98: * H ALA 67 + QG2 VAL 66 OK 98 100 - 98 - 4.3=83, 4041/2.1=31...(17) Peak 4043 from cnoeabs.peaks (7.41, 1.12, 21.65 ppm; 3.59 A): 2 out of 2 assignments used, quality = 0.95: * H ALA 67 + QG1 VAL 66 OK 93 100 - 93 - 4.3=60, 4042/2.1=29...(18) H ALA 67 + QG2 THR 13 OK 35 80 - 43 - 314=11, 2.9/5511=6...(14) Peak 4044 from cnoeabs.peaks (7.98, 3.80, 55.50 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 68 + HA ALA 67 OK 100 100 - 100 - 3.6=100 H ASP 43 - HA ALA 67 OK 22 99 - 22 - 999/2.9=9, 4045/2.1=9...(5) Peak 4045 from cnoeabs.peaks (7.98, 1.37, 18.31 ppm; 3.53 A): 1 out of 2 assignments used, quality = 0.94: * H LYS 68 + QB ALA 67 OK 94 100 - 94 - 3.7=85, 315/2.9=31...(13) H ASP 43 - QB ALA 67 OK 23 99 - 23 - 999/2.9=6, 4044/2.1=4...(7) Peak 4046 from cnoeabs.peaks (7.52, 3.54, 60.08 ppm; 4.33 A): 2 out of 3 assignments used, quality = 1.00: * H ALA 69 + HA LYS 68 OK 100 100 - 100 - 3.6=100 HE22 GLN 55 + HA LYS 68 OK 55 90 - 61 - 4047/3.0=10, 4048/3.0=10...(18) H ASN 63 - HA LYS 68 OK 44 100 - 44 - 1000/3.0=10, 4047/3.0=7...(14) Peak 4047 from cnoeabs.peaks (7.52, 1.60, 32.10 ppm; 3.82 A): 2 out of 3 assignments used, quality = 0.94: * H ALA 69 + HB2 LYS 68 OK 89 100 - 89 - 4.3=68, 318/4.0=20...(17) HE22 GLN 55 + HB2 LYS 68 OK 50 90 - 56 - 4048/1.8=10, 4046/3.0=7...(16) H ASN 63 - HB2 LYS 68 OK 32 100 - 32 - 4048/1.8=6, 1000/4.0=6...(9) Peak 4048 from cnoeabs.peaks (7.52, 1.29, 32.10 ppm; 4.09 A): 2 out of 3 assignments used, quality = 0.97: * H ALA 69 + HB3 LYS 68 OK 94 100 - 94 - 4.3=83, 318/4.0=22...(17) HE22 GLN 55 + HB3 LYS 68 OK 55 90 - 61 - 4047/1.8=12, 4049/2.9=8...(15) H ASN 63 - HB3 LYS 68 OK 35 100 - 35 - 4047/1.8=8, 1000/4.0=7...(8) Peak 4049 from cnoeabs.peaks (7.52, 1.37, 25.66 ppm; 4.91 A): 3 out of 3 assignments used, quality = 0.97: * H ALA 69 + HG2 LYS 68 OK 83 100 - 84 - 318/4.9=24, 4047/2.9=22...(24) HE22 GLN 55 + HG2 LYS 68 OK 67 90 - 74 - 1.7/5525=14, ~5203=13...(15) H ASN 63 + HG2 LYS 68 OK 51 100 - 51 - 5393=10, 4050/1.8=8...(11) Peak 4050 from cnoeabs.peaks (7.52, 0.80, 25.66 ppm; 5.21 A): 3 out of 3 assignments used, quality = 0.98: * H ALA 69 + HG3 LYS 68 OK 90 100 - 90 - 3.6/3064=41, 318/4.9=27...(19) HE22 GLN 55 + HG3 LYS 68 OK 68 90 - 75 - 1.7/5527=16, 4049/1.8=15...(16) H ASN 63 + HG3 LYS 68 OK 47 100 - 47 - 4049/1.8=11, 4047/2.9=9...(8) Peak 4051 from cnoeabs.peaks (7.52, 1.23, 28.78 ppm; 5.86 A): 6 out of 6 assignments used, quality = 1.00: * H ALA 69 + HD2 LYS 68 OK 87 100 - 87 - 318/5.8=27, 4047/3.5=24...(21) H ALA 69 + HD3 LYS 68 OK 87 100 - 87 - 318/5.8=27, 4047/3.5=24...(21) HE22 GLN 55 + HD2 LYS 68 OK 75 90 - 83 - 4049/3.0=14, 4047/3.5=14...(16) HE22 GLN 55 + HD3 LYS 68 OK 75 90 - 83 - 4049/3.0=14, 4047/3.5=14...(16) H ASN 63 + HD2 LYS 68 OK 49 100 - 49 - 4049/3.0=11, 4050/3.0=9...(8) H ASN 63 + HD3 LYS 68 OK 49 100 - 49 - 4049/3.0=11, 4050/3.0=9...(8) Peak 4052 from cnoeabs.peaks (7.52, 1.23, 28.78 ppm; 5.86 A): 6 out of 6 assignments used, quality = 1.00: H ALA 69 + HD2 LYS 68 OK 87 100 - 87 - 318/5.8=27, 4047/3.5=24...(21) * H ALA 69 + HD3 LYS 68 OK 87 100 - 87 - 318/5.8=27, 4047/3.5=24...(21) HE22 GLN 55 + HD3 LYS 68 OK 75 90 - 83 - 4049/3.0=14, 4047/3.5=14...(16) HE22 GLN 55 + HD2 LYS 68 OK 75 90 - 83 - 4049/3.0=14, 4047/3.5=14...(16) H ASN 63 + HD2 LYS 68 OK 49 100 - 49 - 4049/3.0=11, 4050/3.0=9...(8) H ASN 63 + HD3 LYS 68 OK 49 100 - 49 - 4049/3.0=11, 4050/3.0=9...(8) Peak 4055 from cnoeabs.peaks (8.33, 3.87, 55.25 ppm; 4.27 A): 2 out of 6 assignments used, quality = 1.00: * H TYR 70 + HA ALA 69 OK 100 100 - 100 - 3.6=100 H ALA 72 + HA ALA 69 OK 64 95 - 67 - 1070=19, 2.9/4201=16...(12) H ARG 28 - HA ALA 69 OK 24 90 - 26 - 4.7/4202=7, 1001/3.0=3...(10) H GLU 37 - HA ALA 69 lone 8 89 - 9 - 1001/3.0=3, 4056/2.1=2...(4) H ALA 60 - HA ALA 69 lone 7 71 - 10 - 1001/3.0=2, 4056/2.1=2...(4) H LEU 85 - HA ALA 69 lone 4 65 - 7 - 4.3/5576=2, 4056/2.1=1 Peak 4056 from cnoeabs.peaks (8.33, 1.38, 17.66 ppm; 3.49 A): 2 out of 6 assignments used, quality = 0.98: * H TYR 70 + QB ALA 69 OK 95 100 - 95 - 3.6=90, 328/2.9=20...(10) H ALA 72 + QB ALA 69 OK 47 95 - 50 - 1071/4.4=12, 1070/2.1=11...(10) H ARG 28 - QB ALA 69 OK 14 90 - 15 - 3.0/5584=3, 4199/2.1=3...(5) H ALA 60 - QB ALA 69 poor 9 71 - 12 - 3.0/6046=2, 4.6/5371=2 H GLU 37 - QB ALA 69 lone 9 89 - 10 - 1001/2.9=2, 4185/4184=1...(4) H LEU 85 - QB ALA 69 lone 5 65 - 7 - 3.6/5584=2, 4.3/5574=1 Peak 4057 from cnoeabs.peaks (8.13, 4.40, 61.49 ppm; 4.48 A): 2 out of 5 assignments used, quality = 1.00: * H ALA 71 + HA TYR 70 OK 100 100 - 100 - 3.6=100 H LEU 30 + HA TYR 70 OK 48 89 - 55 - 4.6/4204=11, 4588=9...(13) H ARG 27 - HA TYR 70 OK 22 57 - 38 - 4556=9, 4.6/622=8...(9) H ALA 89 - HA TYR 70 OK 14 83 - 17 - 1002/3.0=3, 4059/3.0=2...(6) H MET 11 - HA TYR 70 poor 8 68 - 12 - 1002/3.0=2, 6.2/4205=2...(5) Peak 4058 from cnoeabs.peaks (8.13, 2.98, 37.49 ppm; 4.27 A): 1 out of 5 assignments used, quality = 0.98: * H ALA 71 + HB2 TYR 70 OK 98 100 - 98 - 4.4=92, 334/1.8=29...(17) H LEU 30 - HB2 TYR 70 OK 23 89 - 26 - 4057/3.0=7, 4059/1.8=6...(5) H ARG 27 - HB2 TYR 70 OK 13 57 - 23 - 4556/3.0=5, 4.6/3125=4...(8) H ALA 89 - HB2 TYR 70 OK 10 83 - 12 - 4059/1.8=3, 4057/3.0=2...(4) H MET 11 - HB2 TYR 70 lone 5 68 - 8 - 4059/1.8=1, 1002/4.0=1...(4) Peak 4059 from cnoeabs.peaks (8.13, 3.32, 37.49 ppm; 4.20 A): 1 out of 5 assignments used, quality = 0.97: * H ALA 71 + HB3 TYR 70 OK 97 100 - 97 - 4.4=87, 333/1.8=25...(14) H LEU 30 - HB3 TYR 70 OK 23 89 - 26 - 4057/3.0=7, 1002/4.0=6...(6) H ARG 27 - HB3 TYR 70 OK 13 57 - 23 - 4556/3.0=5, 4.6/3131=4...(8) H ALA 89 - HB3 TYR 70 OK 10 83 - 12 - 4058/1.8=3, 4057/3.0=2...(4) H MET 11 - HB3 TYR 70 lone 5 68 - 8 - 6.2/5597=1, 1002/4.0=1...(4) Peak 4062 from cnoeabs.peaks (8.35, 3.97, 55.37 ppm; 4.01 A): 3 out of 7 assignments used, quality = 1.00: * H ALA 72 + HA ALA 71 OK 100 100 - 100 - 3.6=100 H ARG 28 + HA ALA 71 OK 58 100 - 59 - 4.7/5641=13, 4063/2.1=10...(15) H TYR 70 + HA ALA 71 OK 48 95 - 51 - 1002/3.0=21, 4063/2.1=11...(8) H GLU 37 - HA ALA 71 lone 3 57 - 5 - H ASN 90 - HA ALA 71 lone 3 60 - 4 - H GLY 39 - HA ALA 71 lone 2 63 - 3 - H GLY 40 - HA ALA 71 lone 2 63 - 2 - Peak 4063 from cnoeabs.peaks (8.35, 1.52, 16.95 ppm; 3.20 A): 3 out of 7 assignments used, quality = 0.96: * H ALA 72 + QB ALA 71 OK 86 100 - 86 - 3.7=64, 337/2.9=15...(16) H TYR 70 + QB ALA 71 OK 48 95 - 51 - 1002/2.9=15, 1058/4196=6...(14) H ARG 28 + QB ALA 71 OK 44 100 - 44 - 1003/2.9=7, 4062/2.1=6...(18) H GLU 37 - QB ALA 71 lone 3 57 - 5 - H GLY 40 - QB ALA 71 lone 2 63 - 3 - H ASN 90 - QB ALA 71 lone 2 60 - 3 - H GLY 39 - QB ALA 71 lone 2 63 - 3 - Peak 4064 from cnoeabs.peaks (8.57, 3.96, 54.32 ppm; 4.09 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 73 + HA ALA 72 OK 100 100 - 100 - 3.6=100 H GLY 29 + HA ALA 72 OK 47 97 - 49 - 1004/2.9=16, 4065/2.1=14...(11) Peak 4065 from cnoeabs.peaks (8.57, 1.49, 17.66 ppm; 3.43 A): 2 out of 2 assignments used, quality = 0.96: * H LEU 73 + QB ALA 72 OK 93 100 - 93 - 3.6=86, 1004/2.9=18...(10) H GLY 29 + QB ALA 72 OK 45 97 - 47 - 1004/2.9=12, 4064/2.1=8...(13) Peak 4066 from cnoeabs.peaks (7.80, 3.91, 57.61 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 74 + HA LEU 73 OK 100 100 - 100 - 3.6=100 H ALA 74 - HA LEU 23 OK 43 80 - 54 - 344=10, 4.6/3197=6...(15) Peak 4067 from cnoeabs.peaks (7.80, 1.75, 42.30 ppm; 3.92 A): 1 out of 1 assignment used, quality = 0.94: * H ALA 74 + HB2 LEU 73 OK 94 100 - 94 - 4.4=68, 4068/1.8=36...(19) Peak 4068 from cnoeabs.peaks (7.80, 1.67, 42.30 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.96: * H ALA 74 + HB3 LEU 73 OK 96 100 - 96 - 4.4=75, 4067/1.8=39...(18) Peak 4069 from cnoeabs.peaks (7.80, 1.62, 26.72 ppm; 4.68 A): 2 out of 4 assignments used, quality = 0.96: * H ALA 74 + HG LEU 73 OK 92 100 - 92 - 4067/3.0=39, 4068/3.0=38...(16) H ALA 74 + HG LEU 23 OK 49 98 - 51 - 4066/4.3=8, 348/2.1=8...(11) H ALA 74 - HG LEU 87 OK 35 98 - 36 - 347=6, 349/2.1=4...(13) H ALA 74 - HG LEU 85 OK 31 93 - 33 - 347=5, 349/2.1=4...(12) Peak 4070 from cnoeabs.peaks (7.80, 0.78, 24.28 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 74 + QD1 LEU 73 OK 100 100 - 100 - 4.6=98, 4067/3.1=37...(23) H ALA 74 - HG2 LYS 26 OK 13 41 - 30 - 348=4, 349/3.0=4...(12) Peak 4071 from cnoeabs.peaks (7.80, 0.84, 24.71 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 74 + QD2 LEU 73 OK 100 100 - 100 - 4.6=100 Peak 4072 from cnoeabs.peaks (7.36, 4.15, 54.74 ppm; 4.35 A): 2 out of 3 assignments used, quality = 1.00: * H ALA 75 + HA ALA 74 OK 100 100 - 100 - 3.6=100 H GLU 25 + HA ALA 74 OK 67 100 - 67 - 1038=19, 4073/2.1=12...(21) QE PHE 46 - HA ALA 74 OK 12 89 - 13 - 1006/2.9=4, 4073/2.1=3 Peak 4073 from cnoeabs.peaks (7.36, 1.77, 17.66 ppm; 3.26 A): 1 out of 3 assignments used, quality = 0.95: * H ALA 75 + QB ALA 74 OK 95 100 - 95 - 3.4=86, 350/2.9=28...(23) H GLU 25 - QB ALA 74 OK 37 100 - 37 - 1038/2.1=8, 1006/2.9=7...(12) QE PHE 46 - QB ALA 74 poor 9 89 - 10 - 1006/2.9=3, 4072/2.1=1 Peak 4074 from cnoeabs.peaks (8.54, 2.05, 53.88 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 76 + HA ALA 75 OK 100 100 - 100 - 3.6=100 H ASP 82 - HA ALA 75 OK 31 100 - 31 - 4075/2.1=7, 1007/2.9=7...(9) H GLY 61 - HA ALA 75 OK 24 97 - 25 - 1007/2.9=7, 4075/2.1=7...(5) Peak 4075 from cnoeabs.peaks (8.54, 0.87, 19.18 ppm; 3.46 A): 1 out of 3 assignments used, quality = 0.94: * H LEU 76 + QB ALA 75 OK 94 100 - 94 - 3.6=87, 1007/2.9=20...(16) H ASP 82 - QB ALA 75 OK 22 100 - 22 - 1007/2.9=5, 4074/2.1=5...(6) H GLY 61 - QB ALA 75 OK 21 97 - 21 - 1007/2.9=5, 4074/2.1=4...(6) Peak 4076 from cnoeabs.peaks (8.26, 3.94, 58.16 ppm; 4.38 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 77 + HA LEU 76 OK 100 100 - 100 - 3.6=100 H VAL 66 - HA LEU 76 OK 40 100 - 40 - 1008/3.0=7, 4078/2.9=7...(8) H ASP 88 - HA LEU 76 OK 30 95 - 32 - 1008/3.0=5, 4077/2.9=4...(9) H LYS 64 - HA LEU 76 OK 26 63 - 42 - 4.8/3221=6, 4077/2.9=5...(14) H ALA 86 - HA LEU 76 OK 25 95 - 27 - 1008/3.0=4, 4.6/6158=4...(9) H GLY 16 - HA LEU 76 lone 6 65 - 9 - 1008/3.0=1, 4077/2.9=1 Peak 4077 from cnoeabs.peaks (8.26, 1.95, 41.92 ppm; 4.09 A): 3 out of 6 assignments used, quality = 0.95: * H GLU 77 + HB2 LEU 76 OK 89 100 - 89 - 4.6=71, 356/4.0=17...(14) H VAL 66 + HB2 LEU 76 OK 39 100 - 40 - 4078/1.8=7, 4081/3.1=6...(10) H LYS 64 + HB2 LEU 76 OK 28 63 - 45 - 3.0/5425=5, 4.8/3228=5...(16) H ASP 88 - HB2 LEU 76 OK 27 95 - 28 - 4078/1.8=4, 4076/2.9=4...(8) H ALA 86 - HB2 LEU 76 OK 21 95 - 22 - 4080/3.1=3, 4078/1.8=3...(6) H GLY 16 - HB2 LEU 76 lone 6 65 - 9 - 4078/1.8=1, 4080/3.1=1 Peak 4078 from cnoeabs.peaks (8.26, 1.46, 41.92 ppm; 4.41 A): 2 out of 6 assignments used, quality = 0.98: * H GLU 77 + HB3 LEU 76 OK 96 100 - 96 - 4.6=89, 356/4.0=20...(14) H VAL 66 + HB3 LEU 76 OK 49 100 - 50 - 4077/1.8=8, 4081/3.1=7...(13) H LYS 64 - HB3 LEU 76 OK 32 63 - 51 - 4.8/3235=6, 3.0/2823=6...(15) H ASP 88 - HB3 LEU 76 OK 31 95 - 33 - 4077/1.8=5, 4076/2.9=4...(9) H ALA 86 - HB3 LEU 76 OK 24 95 - 25 - 4077/1.8=4, 4080/3.1=4...(6) H GLY 16 - HB3 LEU 76 poor 7 65 - 11 - 4077/1.8=1, 4080/3.1=1 Peak 4079 from cnoeabs.peaks (8.26, 1.81, 26.77 ppm; 5.65 A): 3 out of 6 assignments used, quality = 0.95: * H GLU 77 + HG LEU 76 OK 81 100 - 81 - 356/4.9=24, 4077/3.0=20...(14) H VAL 66 + HG LEU 76 OK 58 100 - 59 - 4081/2.1=11, 4080/2.1=10...(12) H LYS 64 + HG LEU 76 OK 38 63 - 60 - ~2822=11, 4.8/3242=9...(15) H ASP 88 - HG LEU 76 OK 37 95 - 39 - 4080/2.1=7, 4081/2.1=6...(8) H ALA 86 - HG LEU 76 OK 29 95 - 31 - 4080/2.1=6, 4081/2.1=5...(6) H GLY 16 - HG LEU 76 OK 11 65 - 16 - 4080/2.1=2, 4081/2.1=2...(9) Peak 4080 from cnoeabs.peaks (8.26, 0.88, 26.00 ppm; 4.43 A): 5 out of 6 assignments used, quality = 0.95: * H GLU 77 + QD1 LEU 76 OK 76 100 - 76 - 356/4.8=17, 361=16...(17) H VAL 66 + QD1 LEU 76 OK 44 100 - 44 - 4081/2.1=8, 4078/3.1=6...(10) H ASP 88 + QD1 LEU 76 OK 29 95 - 30 - 4081/2.1=5, 4077/3.1=4...(8) H LYS 64 + QD1 LEU 76 OK 26 63 - 42 - ~2822=7, 806/2.1=6...(13) H ALA 86 + QD1 LEU 76 OK 26 95 - 27 - 409=5, 4081/2.1=4...(9) H GLY 16 - QD1 LEU 76 poor 8 65 - 11 - 3.0/6048=2, 4081/2.1=1 Peak 4081 from cnoeabs.peaks (8.26, 0.71, 23.37 ppm; 4.63 A): 3 out of 6 assignments used, quality = 0.95: * H GLU 77 + QD2 LEU 76 OK 81 100 - 81 - 362=18, 356/4.8=18...(18) H VAL 66 + QD2 LEU 76 OK 58 100 - 58 - 4080/2.1=8, 4.6/5784=8...(12) H LYS 64 + QD2 LEU 76 OK 42 63 - 67 - 3.0/2822=12, 4.0/2832=9...(20) H ASP 88 - QD2 LEU 76 OK 34 95 - 36 - 4080/2.1=5, 4077/3.1=5...(8) H ALA 86 - QD2 LEU 76 OK 27 95 - 28 - 4080/2.1=5, 4077/3.1=4...(7) H GLY 16 - QD2 LEU 76 poor 9 65 - 13 - 4080/2.1=1, 3.0/4311=1...(7) Peak 4082 from cnoeabs.peaks (7.20, 3.87, 58.49 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 78 + HA GLU 77 OK 100 100 - 100 - 3.6=100 QD PHE 80 - HA GLU 77 OK 31 100 - 31 - 1009/2.9=10, 4.4/5790=6...(6) QE PHE 57 - HA GLU 77 OK 19 95 - 20 - 1009/2.9=7, 4084/3.0=3...(5) Peak 4083 from cnoeabs.peaks (7.20, 1.96, 29.43 ppm; 3.98 A): 1 out of 6 assignments used, quality = 0.97: * H LYS 78 + HB2 GLU 77 OK 97 100 - 97 - 4.1=94, 4084/1.8=20...(8) H LYS 78 - HB3 GLU 22 OK 33 86 - 39 - 364/3.0=6, 3.6/3259=5...(10) QD PHE 80 - HB2 GLU 77 OK 33 100 - 33 - 1009/4.0=8, 4082/3.0=6...(7) QE PHE 57 - HB2 GLU 77 OK 21 95 - 23 - 1009/4.0=5, 4084/1.8=4...(6) QD PHE 80 - HB3 GLU 22 poor 9 85 - 11 - 4703=1 QE PHE 57 - HB3 GLU 22 lone 7 77 - 9 - 4660/1.8=1 Peak 4084 from cnoeabs.peaks (7.20, 2.07, 29.43 ppm; 4.03 A): 1 out of 6 assignments used, quality = 0.99: * H LYS 78 + HB3 GLU 77 OK 99 100 - 99 - 4.1=97, 4083/1.8=19...(10) QD PHE 80 - HB3 GLU 77 OK 31 100 - 31 - 1009/4.0=8, 4082/3.0=6...(5) H LYS 78 - HB3 GLU 25 OK 25 62 - 40 - 367/3.0=6, 882/1.8=6...(12) QE PHE 57 - HB3 GLU 77 OK 22 95 - 23 - 1009/4.0=5, 4083/1.8=4...(6) QD PHE 80 - HB3 GLU 25 poor 7 61 - 12 - ~4505=2, 4701/3.0=1, ~5892=1 QE PHE 57 - HB3 GLU 25 lone 3 54 - 5 - Peak 4085 from cnoeabs.peaks (7.20, 2.22, 36.55 ppm; 4.52 A): 2 out of 6 assignments used, quality = 0.96: * H LYS 78 + HG2 GLU 77 OK 93 100 - 93 - 4.9=77, 4084/3.0=19...(10) H LYS 78 + HG2 GLU 25 OK 35 61 - 58 - 367=12, 3.6/3261=11...(13) QD PHE 80 - HG2 GLU 77 OK 34 100 - 34 - 1009/5.0=8, 4082/3.7=7...(7) QE PHE 57 - HG2 GLU 77 OK 25 95 - 27 - 4086/1.8=5, 1009/5.0=5...(7) QD PHE 80 - HG2 GLU 25 poor 7 60 - 12 - 1009/878=2, 4084/3.0=1...(5) QE PHE 57 - HG2 GLU 25 lone 5 53 - 9 - 4233/5722=1, 1009/878=1 Peak 4086 from cnoeabs.peaks (7.20, 2.46, 36.55 ppm; 4.79 A): 1 out of 6 assignments used, quality = 0.98: * H LYS 78 + HG3 GLU 77 OK 98 100 - 98 - 4.9=92, 4084/3.0=21...(12) QD PHE 80 - HG3 GLU 77 OK 38 100 - 38 - 1009/5.0=9, 4085/1.8=7...(8) H LYS 78 - HG3 GLU 25 OK 33 53 - 62 - 3.6/3262=12, 367/1.8=11...(14) QE PHE 57 - HG3 GLU 77 OK 28 95 - 29 - 1009/5.0=5, 4085/1.8=5...(6) QD PHE 80 - HG3 GLU 25 poor 7 52 - 13 - 1009/879=2, 4085/1.8=2...(5) QE PHE 57 - HG3 GLU 25 lone 4 46 - 9 - 1009/879=1, 4233/5723=1 Peak 4087 from cnoeabs.peaks (8.19, 4.26, 56.85 ppm; 4.56 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 79 + HA LYS 78 OK 100 100 - 100 - 3.6=100 H LEU 87 + HA LYS 78 OK 60 100 - 60 - 1010/2.9=9, 4089/3.0=9...(19) H LYS 56 - HA LYS 78 OK 44 98 - 45 - 1010/2.9=10, 4088/3.0=7...(12) HE21 GLN 58 - HA LYS 78 OK 24 83 - 29 - 4089/3.0=5, 4088/3.0=4...(9) Peak 4088 from cnoeabs.peaks (8.19, 1.99, 33.27 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.98: * H LEU 79 + HB2 LYS 78 OK 96 100 - 96 - 4.4=85, 4089/1.8=19...(20) H LEU 87 + HB2 LYS 78 OK 51 100 - 51 - 4089/1.8=10, 4091/2.8=7...(12) H LYS 56 - HB2 LYS 78 OK 42 98 - 42 - 4089/1.8=7, 1010/4.0=7...(13) HE21 GLN 58 - HB2 LYS 78 OK 24 83 - 28 - 4089/1.8=5, 4091/2.8=3...(9) Peak 4089 from cnoeabs.peaks (8.19, 1.87, 33.27 ppm; 3.91 A): 2 out of 4 assignments used, quality = 0.95: * H LEU 79 + HB3 LYS 78 OK 91 100 - 91 - 4.4=72, 4088/1.8=16...(19) H LEU 87 + HB3 LYS 78 OK 48 100 - 48 - 4088/1.8=8, 4091/2.8=6...(12) H LYS 56 - HB3 LYS 78 OK 37 98 - 38 - 4088/1.8=7, 1010/4.0=6...(10) HE21 GLN 58 - HB3 LYS 78 OK 24 83 - 29 - 4088/1.8=4, 4091/2.8=3...(10) Peak 4090 from cnoeabs.peaks (8.19, 1.70, 24.65 ppm; 4.96 A): 3 out of 4 assignments used, quality = 0.98: * H LEU 79 + HG2 LYS 78 OK 88 100 - 88 - 4089/2.8=20, 4088/2.8=19...(20) H LEU 87 + HG2 LYS 78 OK 65 100 - 65 - 4091/1.8=12, 4089/2.8=10...(13) H LYS 56 + HG2 LYS 78 OK 47 98 - 48 - 4091/1.8=8, 4088/2.8=8...(11) HE21 GLN 58 - HG2 LYS 78 OK 29 83 - 34 - 4091/1.8=5, 4089/2.8=5...(9) Peak 4091 from cnoeabs.peaks (8.19, 1.46, 24.65 ppm; 4.81 A): 3 out of 4 assignments used, quality = 0.97: * H LEU 79 + HG3 LYS 78 OK 87 100 - 87 - 4089/2.8=19, 4088/2.8=18...(23) H LEU 87 + HG3 LYS 78 OK 64 100 - 64 - 4090/1.8=11, 4089/2.8=10...(16) H LYS 56 + HG3 LYS 78 OK 45 98 - 46 - 4088/2.8=8, 4090/1.8=8...(11) HE21 GLN 58 - HG3 LYS 78 OK 28 83 - 34 - 4089/2.8=5, 4090/1.8=5...(9) Peak 4092 from cnoeabs.peaks (8.19, 1.92, 28.25 ppm; 6.20 A): 3 out of 4 assignments used, quality = 0.99: * H LEU 79 + HD2 LYS 78 OK 93 100 - 93 - 3.6/3338=23, 4089/3.7=22...(18) H LEU 87 + HD2 LYS 78 OK 73 100 - 74 - 4091/2.9=13, 4090/2.9=13...(15) H LYS 56 + HD2 LYS 78 OK 56 98 - 57 - 4093/1.8=10, 4090/2.9=9...(13) HE21 GLN 58 - HD2 LYS 78 OK 33 83 - 39 - 4091/2.9=6, 4090/2.9=6...(7) Peak 4093 from cnoeabs.peaks (8.19, 1.78, 28.25 ppm; 6.02 A): 3 out of 4 assignments used, quality = 0.99: * H LEU 79 + HD3 LYS 78 OK 92 100 - 92 - 3.6/3348=22, 4089/3.7=21...(20) H LEU 87 + HD3 LYS 78 OK 73 100 - 73 - 4091/2.9=13, 4090/2.9=13...(16) H LYS 56 + HD3 LYS 78 OK 55 98 - 56 - 4090/2.9=9, 4091/2.9=9...(13) HE21 GLN 58 - HD3 LYS 78 OK 31 83 - 38 - 4091/2.9=6, 4089/3.7=6...(8) Peak 4096 from cnoeabs.peaks (7.86, 4.01, 55.46 ppm; 4.20 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 80 + HA LEU 79 OK 100 100 - 100 - 3.6=100 H LEU 12 + HA LEU 79 OK 46 99 - 47 - 1011/2.9=7, 526/4.0=6...(10) HD21 ASN 24 - HA LEU 79 OK 30 99 - 30 - 1011/2.9=5, 4097/2.9=5...(8) H LYS 65 - HA LEU 79 OK 28 87 - 32 - 1011/2.9=6, 4097/2.9=5...(9) Peak 4097 from cnoeabs.peaks (7.86, 1.25, 42.76 ppm; 4.60 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 80 + HB2 LEU 79 OK 100 100 - 100 - 4.6=100 H LEU 12 + HB2 LEU 79 OK 52 99 - 53 - 526/3.1=9, 4098/1.8=9...(11) HD21 ASN 24 - HB2 LEU 79 OK 42 99 - 42 - 4500/3.1=7, 4098/1.8=7...(11) H LYS 65 - HB2 LEU 79 OK 42 87 - 48 - 4098/1.8=6, 4101/3.1=5...(16) Peak 4098 from cnoeabs.peaks (7.86, 0.38, 42.76 ppm; 4.76 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 80 + HB3 LEU 79 OK 100 100 - 100 - 4.6=100 H LEU 12 + HB3 LEU 79 OK 54 99 - 55 - 526/3.1=9, 4097/1.8=9...(12) HD21 ASN 24 - HB3 LEU 79 OK 40 99 - 41 - 4097/1.8=7, 4500/3.1=7...(10) H LYS 65 - HB3 LEU 79 OK 36 87 - 41 - 4097/1.8=7, 4101/3.1=6...(11) Peak 4099 from cnoeabs.peaks (7.86, 1.48, 26.77 ppm; 4.01 A): 3 out of 8 assignments used, quality = 0.95: * H PHE 80 + HG LEU 79 OK 77 100 - 77 - 382/3.0=29, 385/2.1=16...(12) H LEU 12 + HG LEU 12 OK 53 67 - 79 - 5.2=45, 527/2.1=20...(8) H LEU 12 + HG LEU 79 OK 52 99 - 53 - 525=9, 526/2.1=8...(14) HD21 ASN 24 - HG LEU 79 OK 33 99 - 33 - 4500/2.1=7, 4101/2.1=6...(9) H PHE 80 - HG LEU 12 OK 31 70 - 44 - 383=7, 4.6/3401=6...(13) H LYS 65 - HG LEU 79 OK 30 87 - 35 - 4101/2.1=5, 4097/3.0=4...(10) H LYS 65 - HG LEU 12 OK 28 54 - 51 - 1194/2.1=7, 1166/3.0=7...(20) HD21 ASN 24 - HG LEU 12 OK 21 67 - 32 - 4500/2.1=6, 1194/2.1=5...(9) Peak 4100 from cnoeabs.peaks (7.86, 0.74, 26.10 ppm; 4.93 A): 3 out of 4 assignments used, quality = 0.99: * H PHE 80 + QD1 LEU 79 OK 93 100 - 93 - 382/3.1=40, 379/4.8=22...(17) H LEU 12 + QD1 LEU 79 OK 70 99 - 70 - 526=12, 4101/2.1=10...(15) HD21 ASN 24 + QD1 LEU 79 OK 51 99 - 51 - 4500=8, 4101/2.1=8...(15) H LYS 65 - QD1 LEU 79 OK 43 87 - 50 - 4101/2.1=7, 4097/3.1=6...(14) Peak 4101 from cnoeabs.peaks (7.86, 0.78, 21.77 ppm; 4.53 A): 3 out of 4 assignments used, quality = 0.97: * H PHE 80 + QD2 LEU 79 OK 89 100 - 89 - 382/3.1=35, 3.6/3413=25...(14) H LEU 12 + QD2 LEU 79 OK 51 99 - 52 - 526/2.1=10, 525/2.1=8...(11) HD21 ASN 24 + QD2 LEU 79 OK 41 99 - 41 - 4500/2.1=8, 4097/3.1=5...(11) H LYS 65 - QD2 LEU 79 OK 36 87 - 42 - 2.9/5456=7, 4100/2.1=6...(11) Peak 4102 from cnoeabs.peaks (8.54, 3.38, 50.06 ppm; 5.20 A): 3 out of 3 assignments used, quality = 0.98: * H ASP 82 + HD2 PRO 81 OK 92 100 - 92 - 386/3.6=38, 391=34...(14) H LEU 76 + HD2 PRO 81 OK 58 100 - 58 - 4107/2.3=12, 4103/1.8=10...(13) H GLY 61 + HD2 PRO 81 OK 46 99 - 47 - 5376/3.8=12, 4107/2.3=9...(8) Peak 4103 from cnoeabs.peaks (8.54, 3.16, 50.06 ppm; 6.20 A): 3 out of 3 assignments used, quality = 0.99: * H ASP 82 + HD3 PRO 81 OK 95 100 - 95 - 386/3.6=40, 387/3.0=37...(17) H LEU 76 + HD3 PRO 81 OK 75 100 - 75 - 4102/1.8=14, 4107/2.3=14...(20) H GLY 61 + HD3 PRO 81 OK 57 99 - 57 - 5376/3.8=15, 4102/1.8=12...(10) Peak 4104 from cnoeabs.peaks (8.54, 4.41, 63.40 ppm; 3.04 A): 3 out of 3 assignments used, quality = 0.86: * H ASP 82 + HA PRO 81 OK 81 100 - 81 - 3.6=62, 387/2.3=16...(10) H LEU 76 + HA PRO 81 OK 18 100 - 18 - 4106/2.3=4, 4105/2.3=3...(6) H GLY 61 + HA PRO 81 OK 15 99 - 16 - 5376/4.8=3, 4105/2.3=2...(7) Peak 4105 from cnoeabs.peaks (8.54, 2.29, 31.47 ppm; 4.44 A): 1 out of 6 assignments used, quality = 1.00: * H ASP 82 + HB2 PRO 81 OK 100 100 - 100 - 3.9=100 H LEU 76 - HB2 PRO 81 OK 45 100 - 45 - 4107/2.3=9, 4106/1.8=9...(9) H GLY 61 - HB2 PRO 81 OK 33 99 - 33 - 4107/2.3=7, 4104/2.3=7...(7) H ASP 82 - HG2 MET 11 OK 18 72 - 25 - 3.6/3464=7, 387=5...(10) H LEU 76 - HG2 MET 11 lone 3 71 - 4 - H GLY 61 - HG2 MET 11 lone 3 68 - 4 - Peak 4106 from cnoeabs.peaks (8.54, 1.97, 31.47 ppm; 4.35 A): 2 out of 6 assignments used, quality = 1.00: * H ASP 82 + HB3 PRO 81 OK 100 100 - 100 - 3.9=100 H LEU 76 + HB3 PRO 81 OK 51 100 - 51 - 4107/2.3=9, 4105/1.8=8...(14) H GLY 61 - HB3 PRO 81 OK 33 99 - 33 - 4107/2.3=6, 4104/2.3=6...(7) H ASP 82 - HB2 GLN 58 OK 28 92 - 30 - 3.6/3477=9, 3.9/3478=6...(7) H LEU 76 - HB2 GLN 58 lone 8 92 - 9 - H GLY 61 - HB2 GLN 58 lone 6 89 - 7 - ~5273=2 Peak 4107 from cnoeabs.peaks (8.54, 1.86, 27.14 ppm; 4.82 A): 3 out of 3 assignments used, quality = 0.96: * H ASP 82 + HG2 PRO 81 OK 88 100 - 88 - 386/3.8=35, 387/2.3=34...(12) H LEU 76 + HG2 PRO 81 OK 53 100 - 53 - 4102/2.3=10, 4106/2.3=9...(11) H GLY 61 + HG2 PRO 81 OK 38 99 - 38 - 4102/2.3=8, 4105/2.3=7...(8) Peak 4108 from cnoeabs.peaks (8.54, 1.92, 27.14 ppm; 5.70 A): 3 out of 6 assignments used, quality = 0.98: * H ASP 82 + HG3 PRO 81 OK 91 100 - 91 - 386/3.8=39, 387/2.3=37...(13) H LEU 76 + HG3 PRO 81 OK 66 100 - 66 - 4107/1.8=14, 4102/2.3=13...(13) H GLY 61 + HG3 PRO 81 OK 49 99 - 49 - 4107/1.8=10, 4102/2.3=10...(9) H ASP 82 - HG3 PRO 84 OK 23 60 - 38 - 3.6/3491=7, 389/2.3=7...(10) H GLY 61 - HG3 PRO 84 OK 10 57 - 18 - 5375/2.3=8, 4.6/4118=2 H LEU 76 - HG3 PRO 84 poor 8 60 - 13 - 3.6/5760=1 Peak 4109 from cnoeabs.peaks (8.07, 4.62, 54.19 ppm; 3.33 A): 2 out of 6 assignments used, quality = 0.93: * H THR 83 + HA ASP 82 OK 92 100 - 92 - 3.6=82, 1012/3.0=21...(8) H GLU 51 + HA GLU 33 OK 14 86 - 16 - 4639/2.9=8, 734/3.0=3, 737/3.0=2 H THR 83 - HA GLU 33 poor 10 92 - 10 - 394=4, 4639/2.9=2...(4) H GLU 51 - HA ASP 82 lone 7 97 - 7 - 1012/3.0=2, 3510/4.9=1 H MET 11 - HA ASP 82 lone 3 63 - 5 - 1012/3.0=2, 518/4.8=1 H MET 11 - HA GLU 33 lone 1 52 - 1 - Peak 4110 from cnoeabs.peaks (8.07, 2.69, 40.82 ppm; 4.19 A): 2 out of 6 assignments used, quality = 0.94: * H THR 83 + HB2 ASP 82 OK 92 100 - 92 - 4.6=78, 394/3.0=33...(4) H THR 83 + HB2 ASP 88 OK 25 78 - 32 - 395=10, 396/1.8=10...(5) H GLU 51 - HB2 ASP 82 lone 7 97 - 7 - 4109/3.0=2, 4111/1.8=2 H MET 11 - HB2 ASP 82 lone 3 63 - 5 - 1012/4.0=2, 4109/3.0=1 H GLU 51 - HB2 ASP 88 lone 1 72 - 2 - H MET 11 - HB2 ASP 88 lone 1 42 - 2 - Peak 4111 from cnoeabs.peaks (8.07, 2.59, 40.82 ppm; 4.23 A): 2 out of 6 assignments used, quality = 0.96: * H THR 83 + HB3 ASP 82 OK 94 100 - 94 - 4.6=80, 395/1.8=35...(5) H THR 83 + HB3 ASP 88 OK 32 94 - 34 - 396=11, 395/1.8=9...(5) H GLU 51 - HB3 ASP 82 lone 7 97 - 7 - 4110/1.8=2, 4109/3.0=2 H MET 11 - HB3 ASP 82 lone 3 63 - 5 - 1012/4.0=2, 4109/3.0=1 H GLU 51 - HB3 ASP 88 lone 2 89 - 2 - H MET 11 - HB3 ASP 88 lone 1 55 - 2 - Peak 4114 from cnoeabs.peaks (8.31, 4.37, 62.94 ppm; 3.01 A): 3 out of 6 assignments used, quality = 0.80: * H LEU 85 + HA PRO 84 OK 71 100 - 71 - 3.6=61, 4116/2.3=9...(8) H GLY 16 + HA PRO 84 OK 19 87 - 22 - 3.0/3542=5, 4116/2.3=4...(8) H ALA 60 + HA PRO 84 OK 13 100 - 13 - 5353/3.6=3, 4116/2.3=3...(6) H GLU 37 - HA PRO 84 lone 9 97 - 9 - 4116/2.3=2, 4.6/162=2 H TYR 70 - HA PRO 84 lone 5 65 - 8 - 1060/3.6=2, 3.6/5584=1...(4) H LYS 64 - HA PRO 84 lone 2 89 - 2 - Peak 4115 from cnoeabs.peaks (8.31, 2.25, 31.39 ppm; 4.95 A): 2 out of 12 assignments used, quality = 1.00: * H LEU 85 + HB2 PRO 84 OK 100 100 - 100 - 4.3=100 H GLY 16 + HB2 PRO 84 OK 57 87 - 65 - ~3556=11, 548/3.0=11...(13) H ALA 60 - HB2 PRO 84 OK 43 100 - 43 - 5353/3.0=10, 4116/1.8=7...(9) H LEU 85 - HG3 MET 11 OK 24 86 - 28 - 3.6/3537=9, 4.3/3551=7...(5) H GLU 37 - HB2 PRO 84 OK 19 97 - 19 - 4116/1.8=6, 4114/2.3=4...(5) H TYR 70 - HB2 PRO 84 OK 13 65 - 20 - 1060/3.0=5, 4116/1.8=3...(6) H TYR 70 - HG3 MET 11 poor 9 50 - 19 - 4252/3.4=7, 6.5/4249=4...(4) H ALA 60 - HG3 MET 11 poor 9 86 - 11 - 4252/3.4=2, 4.6/268=2, ~5368=1 H LYS 64 - HB2 PRO 84 lone 6 89 - 7 - 4118/2.3=1, 4116/1.8=1 H GLY 16 - HG3 MET 11 lone 5 69 - 7 - 548/3530=1, 3.0/3549=1 H GLU 37 - HG3 MET 11 lone 4 81 - 5 - 4252/3.4=1 H LYS 64 - HG3 MET 11 lone 4 71 - 6 - 4.6/3795=2 Peak 4116 from cnoeabs.peaks (8.31, 1.85, 31.39 ppm; 3.85 A): 3 out of 6 assignments used, quality = 0.95: * H LEU 85 + HB3 PRO 84 OK 87 100 - 87 - 4.3=74, 397/2.3=36...(7) H GLY 16 + HB3 PRO 84 OK 41 87 - 47 - 3.0/3556=10, 548/3.0=8...(13) H ALA 60 + HB3 PRO 84 OK 27 100 - 27 - 5353/3.0=7, 4114/2.3=5...(8) H GLU 37 - HB3 PRO 84 OK 22 97 - 22 - 682=5, 4114/2.3=3...(9) H TYR 70 - HB3 PRO 84 OK 10 65 - 16 - 1060/3.0=3, 3.6/5574=2...(6) H LYS 64 - HB3 PRO 84 lone 4 89 - 4 - Peak 4117 from cnoeabs.peaks (8.31, 2.00, 27.14 ppm; 6.20 A): 3 out of 6 assignments used, quality = 0.96: * H LEU 85 + HG2 PRO 84 OK 77 100 - 77 - 397/3.8=40, 403/2.3=27...(7) H GLY 16 + HG2 PRO 84 OK 63 87 - 73 - 3.0/3563=15, ~3556=14...(12) H ALA 60 + HG2 PRO 84 OK 47 100 - 47 - 5353/2.3=13, 4118/1.8=8...(9) H GLU 37 - HG2 PRO 84 OK 31 97 - 31 - 3.6/5948=10, 4116/2.3=6...(7) H TYR 70 - HG2 PRO 84 OK 15 65 - 22 - 1060/2.3=5, 4118/1.8=3...(8) H LYS 64 - HG2 PRO 84 lone 8 89 - 9 - 4118/1.8=2, 4116/2.3=1 Peak 4118 from cnoeabs.peaks (8.31, 1.95, 27.14 ppm; 5.58 A): 3 out of 12 assignments used, quality = 0.94: * H LEU 85 + HG3 PRO 84 OK 74 100 - 74 - 397/3.8=39, 403/2.3=24...(7) H GLY 16 + HG3 PRO 84 OK 60 87 - 70 - ~3556=12, 548/2.3=12...(13) H ALA 60 + HG3 PRO 84 OK 46 100 - 46 - 5353/2.3=13, 4116/2.3=7...(8) H GLU 37 - HG3 PRO 84 OK 26 97 - 26 - 3.6/5949=6, 4116/2.3=6...(6) H TYR 70 - HG3 PRO 84 OK 17 65 - 26 - 1060/2.3=5, 5591=3...(9) H LEU 85 - HG3 PRO 81 OK 17 60 - 28 - 3.6/3564=7, 4.3/3565=6...(7) H LYS 64 - HG3 PRO 84 poor 9 89 - 10 - 4117/1.8=1, 4116/2.3=1 H TYR 70 - HG3 PRO 81 poor 7 32 - 21 - ~3484=3, ~3456=3...(8) H ALA 60 - HG3 PRO 81 poor 6 60 - 10 - 4.6/4108=2, 5352/2391=2 H GLU 37 - HG3 PRO 81 lone 6 55 - 10 - 682/1.8=1, 3.6/5949=1 H GLY 16 - HG3 PRO 81 lone 4 46 - 8 - 548/3570=1 H LYS 64 - HG3 PRO 81 lone 3 47 - 7 - Peak 4119 from cnoeabs.peaks (8.25, 4.26, 54.82 ppm; 2.89 A): 4 out of 15 assignments used, quality = 0.94: * H ALA 86 + HA LEU 85 OK 72 100 - 72 - 3.6=53, 404/2.9=21...(10) H ASP 88 + HA LEU 87 OK 53 82 - 64 - 3.6=53, 411/2.9=9...(8) H ALA 86 + HA LEU 87 OK 43 82 - 53 - 405=16, 1015/2.9=13...(15) H ASP 88 + HA LEU 85 OK 27 100 - 27 - 415=6, 1013/2.9=4...(13) H GLU 77 - HA LEU 87 lone 6 73 - 8 - 1015/2.9=2, 4.6/881=2 H GLU 77 - HA LEU 85 lone 5 95 - 5 - H VAL 66 - HA LEU 85 lone 4 96 - 4 - 1013/2.9=1 H GLU 22 - HA LEU 85 lone 4 89 - 5 - H VAL 66 - HA LEU 87 lone 3 74 - 5 - H ASP 88 - HA ASP 53 lone 3 77 - 4 - 415=1 H ALA 86 - HA ASP 53 lone 3 77 - 4 - H GLU 22 - HA LEU 87 lone 3 67 - 4 - H GLU 77 - HA ASP 53 lone 1 68 - 2 - H VAL 66 - HA ASP 53 lone 1 70 - 1 - H GLU 22 - HA ASP 53 lone 0 62 - 1 - Peak 4120 from cnoeabs.peaks (8.25, 1.51, 42.21 ppm; 4.50 A): 4 out of 10 assignments used, quality = 1.00: * H ALA 86 + HB2 LEU 85 OK 100 100 - 100 - 4.3=100 H ASP 88 + HB3 LEU 87 OK 84 84 - 100 - 4.2=100 H ALA 86 + HB3 LEU 87 OK 60 84 - 71 - 1014/3.9=21, 405/3.0=15...(14) H ASP 88 + HB2 LEU 85 OK 47 100 - 47 - 1013/4.0=8, 415/3.0=6...(13) H GLU 22 - HB2 LEU 85 OK 15 89 - 17 - 1013/4.0=2, 3.0/6122=2...(8) H GLU 77 - HB2 LEU 85 OK 13 95 - 13 - 361/3.1=3, 1013/4.0=2...(5) H GLU 77 - HB3 LEU 87 OK 11 75 - 15 - 361/3.1=3, 411/3.9=3...(6) H VAL 66 - HB2 LEU 85 OK 11 96 - 11 - 1013/4.0=2, 4121/1.8=1 H VAL 66 - HB3 LEU 87 poor 8 76 - 11 - 1015/3.9=2, 4128/1.8=1 H GLU 22 - HB3 LEU 87 poor 8 69 - 11 - 4131/3.1=1, 414/3.9=1 Peak 4121 from cnoeabs.peaks (8.25, 1.59, 42.21 ppm; 4.28 A): 4 out of 10 assignments used, quality = 1.00: * H ALA 86 + HB3 LEU 85 OK 100 100 - 100 - 4.3=100 H ASP 88 + HB2 LEU 87 OK 98 98 - 100 - 4.2=100 H ALA 86 + HB2 LEU 87 OK 68 98 - 70 - 1014/3.9=19, 405/3.0=14...(14) H ASP 88 + HB3 LEU 85 OK 46 100 - 46 - 1013/4.0=7, 4.6/3626=6...(13) H GLU 77 - HB2 LEU 87 OK 14 91 - 15 - 361/3.1=3, 1015/3.9=3...(7) H VAL 66 - HB3 LEU 85 OK 12 96 - 12 - 1013/4.0=2, 306=1...(4) H GLU 77 - HB3 LEU 85 OK 12 95 - 12 - 361/3.1=2, 1013/4.0=2...(4) H VAL 66 - HB2 LEU 87 OK 11 92 - 12 - 411/3.9=1, 4129/1.8=1...(4) H GLU 22 - HB3 LEU 85 OK 11 89 - 12 - 4120/1.8=2, 1013/4.0=1...(5) H GLU 22 - HB2 LEU 87 poor 9 84 - 10 - 4.6/588=2, 4131/3.1=1...(4) Peak 4122 from cnoeabs.peaks (8.25, 1.60, 26.77 ppm; 4.56 A): 3 out of 20 assignments used, quality = 0.99: H ASP 88 + HG LEU 87 OK 91 100 - 91 - 4.9=82, 415/3.7=16...(7) * H ALA 86 + HG LEU 85 OK 75 100 - 75 - 404/5.1=23, 405/3.7=21...(11) H ALA 86 + HG LEU 87 OK 66 100 - 67 - 1014/5.2=16, 405/3.7=13...(12) H ASP 88 - HG LEU 85 OK 43 100 - 44 - 1013/5.1=6, 4.6/925=6...(13) H GLU 77 - HG LEU 73 OK 31 84 - 36 - 5705/2.1=10, 1096/3.7=9...(8) H GLU 77 - HG LEU 23 OK 20 93 - 22 - 1096/4.3=5, 5808/2.1=5...(7) H GLU 77 - HG LEU 87 OK 19 93 - 20 - 361/2.1=3, 4132/2.1=2...(10) H ASP 88 - HG LEU 23 OK 17 99 - 17 - 71/5.1=4, 305/3.0=2...(5) H GLU 22 - HG LEU 23 OK 17 87 - 20 - 71/5.1=12, ~4164=1...(5) H ASP 88 - HG LEU 73 OK 17 93 - 19 - 5705/2.1=3, 4226/3.7=2...(9) H ALA 86 - HG LEU 73 OK 16 93 - 17 - 410/2.1=4, 5705/2.1=2...(7) H GLU 22 - HG LEU 73 OK 16 77 - 20 - 4.6/588=5, ~3197=2...(9) H GLU 77 - HG LEU 85 OK 16 95 - 16 - 361/2.1=3, 4124/2.1=2...(6) H VAL 66 - HG LEU 73 OK 14 85 - 17 - 5705/2.1=5, 303/3.0=2...(5) H ALA 86 - HG LEU 23 OK 13 99 - 13 - 71/5.1=2, 409/2.1=2...(5) H GLU 22 - HG LEU 85 OK 13 89 - 15 - 4.6/588=2, 4131/2.1=2...(7) H VAL 66 - HG LEU 85 OK 12 96 - 12 - 1013/5.1=2, 4124/2.1=1...(5) H GLU 22 - HG LEU 87 OK 11 87 - 13 - 4.6/588=2, 4131/2.1=2 H VAL 66 - HG LEU 87 OK 11 95 - 12 - 4132/2.1=1, 4131/2.1=1...(5) H VAL 66 - HG LEU 23 OK 11 94 - 12 - 305/3.0=2, 3.6/4176=2...(4) Peak 4123 from cnoeabs.peaks (8.25, 0.89, 24.73 ppm; 4.46 A): 3 out of 10 assignments used, quality = 0.99: H ASP 88 + QD1 LEU 87 OK 89 100 - 89 - 4.8=79, 415/4.1=14...(7) * H ALA 86 + QD1 LEU 85 OK 74 100 - 74 - 404/4.7=26, 405/4.0=19...(10) H ALA 86 + QD1 LEU 87 OK 68 100 - 68 - 1014/4.7=17, 409=12...(13) H ASP 88 - QD1 LEU 85 OK 44 100 - 44 - 1013/4.7=7, 415/4.0=5...(13) H GLU 77 - QD1 LEU 87 OK 23 94 - 24 - 361=4, 3.6/3220=2...(12) H GLU 77 - QD1 LEU 85 OK 20 95 - 20 - 361=3, 4124/2.1=2...(11) H GLU 22 - QD1 LEU 85 OK 17 89 - 19 - 4.0/4451=3, 4.6/589=2...(9) H GLU 22 - QD1 LEU 87 OK 14 88 - 16 - 4.0/5958=3, 4.6/589=2...(6) H VAL 66 - QD1 LEU 85 OK 11 96 - 11 - 1013/4.7=2, 4124/2.1=1 H VAL 66 - QD1 LEU 87 OK 11 95 - 11 - 4132/2.1=1, 1015/4.7=1 Peak 4124 from cnoeabs.peaks (8.25, 0.84, 23.25 ppm; 4.30 A): 3 out of 10 assignments used, quality = 0.98: H ASP 88 + QD2 LEU 87 OK 79 94 - 85 - 4.8=70, 415/4.1=14...(7) * H ALA 86 + QD2 LEU 85 OK 73 100 - 73 - 404/4.7=24, 405/4.0=18...(11) H ALA 86 + QD2 LEU 87 OK 64 94 - 69 - 1014/4.7=16, 410=13...(13) H ASP 88 - QD2 LEU 85 OK 44 100 - 44 - 1013/4.7=6, 3.6/3607=6...(13) H GLU 77 - QD2 LEU 87 OK 18 85 - 21 - 361/2.1=3, 4.6/6174=3...(8) H GLU 77 - QD2 LEU 85 OK 15 95 - 16 - 361/2.1=3, 4.6/6174=2...(5) H VAL 66 - QD2 LEU 85 OK 11 96 - 12 - 1043/5959=2, 1013/4.7=2...(4) H VAL 66 - QD2 LEU 87 OK 11 87 - 12 - 1043/5959=2, 1015/4.7=1 H GLU 22 - QD2 LEU 85 OK 10 89 - 11 - 4131/2.1=2, 1013/4.7=1 H GLU 22 - QD2 LEU 87 poor 8 79 - 10 - 4131/2.1=1 Peak 4125 from cnoeabs.peaks (8.19, 4.29, 51.91 ppm; 3.16 A): 1 out of 4 assignments used, quality = 0.83: * H LEU 87 + HA ALA 86 OK 83 100 - 83 - 3.6=69, 413/2.1=20...(10) H LEU 79 - HA ALA 86 lone 6 100 - 6 - 1014/3.0=3, 4126/2.1=2 H LYS 56 - HA ALA 86 lone 3 97 - 3 - 1014/3.0=2 HE21 GLN 58 - HA ALA 86 lone 2 78 - 2 - Peak 4126 from cnoeabs.peaks (8.19, 1.34, 18.84 ppm; 3.97 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 87 + QB ALA 86 OK 100 100 - 100 - 3.7=100 H LEU 87 - QB ALA 89 OK 18 84 - 21 - 413=6, 3.6/3615=4...(8) H LEU 79 - QB ALA 86 OK 10 100 - 10 - 1014/2.9=5, 4125/2.1=3 H LYS 56 - QB ALA 86 lone 5 97 - 6 - 1014/2.9=2, 4125/2.1=2 HE21 GLN 58 - QB ALA 86 lone 4 78 - 4 - 1014/2.9=1 H LEU 79 - QB ALA 89 lone 3 83 - 3 - 370/2.1=1 H LYS 56 - QB ALA 89 lone 2 77 - 2 - HE21 GLN 58 - QB ALA 89 lone 1 59 - 2 - Peak 4127 from cnoeabs.peaks (8.25, 4.24, 54.99 ppm; 2.81 A): 5 out of 20 assignments used, quality = 0.94: * H ASP 88 + HA LEU 87 OK 61 100 - 61 - 3.6=49, 1015/2.9=9...(8) H ALA 86 + HA LEU 85 OK 56 82 - 69 - 3.6=49, 404/2.9=20...(10) H ALA 86 + HA LEU 87 OK 52 100 - 52 - 405=14, 411/2.9=12...(17) H ASP 88 + HA LEU 85 OK 20 82 - 25 - 415=6, 1013/2.9=4...(12) H ASP 88 + HA LEU 30 OK 11 86 - 13 - 415=3, 4.6/933=1...(4) H GLU 77 - HA LEU 87 lone 7 95 - 7 - 1015/2.9=2, 4.6/881=2 H ALA 86 - HA LEU 30 lone 5 86 - 6 - 4.6/922=1 H VAL 66 - HA LEU 87 lone 4 96 - 4 - H ASP 88 - HA ASP 53 lone 4 86 - 5 - 415=1 H GLU 77 - HA LEU 85 lone 4 73 - 5 - H GLU 22 - HA LEU 87 lone 4 89 - 4 - H ALA 86 - HA ASP 53 lone 3 86 - 4 - H VAL 66 - HA LEU 85 lone 3 74 - 4 - H GLU 77 - HA LEU 30 lone 3 77 - 4 - 5808/4.0=1 H GLU 22 - HA LEU 85 lone 3 67 - 4 - H GLU 22 - HA LEU 30 lone 2 71 - 2 - H GLU 77 - HA ASP 53 lone 1 77 - 2 - H VAL 66 - HA LEU 30 lone 1 79 - 1 - H VAL 66 - HA ASP 53 lone 1 79 - 1 - H GLU 22 - HA ASP 53 lone 1 71 - 1 - Peak 4128 from cnoeabs.peaks (8.25, 1.60, 42.16 ppm; 4.14 A): 3 out of 10 assignments used, quality = 1.00: * H ASP 88 + HB2 LEU 87 OK 98 100 - 98 - 4.2=95, 415/3.0=17...(8) H ALA 86 + HB3 LEU 85 OK 96 98 - 98 - 4.3=93, 404/4.0=28...(12) H ALA 86 + HB2 LEU 87 OK 67 100 - 67 - 1014/3.9=18, 405/3.0=13...(14) H ASP 88 - HB3 LEU 85 OK 43 98 - 44 - 1013/4.0=7, 4.6/3626=6...(13) H GLU 77 - HB2 LEU 87 OK 14 95 - 15 - 361/3.1=2, 1015/3.9=2...(6) H GLU 77 - HB3 LEU 85 OK 11 91 - 12 - 361/3.1=2, 1013/4.0=2...(4) H VAL 66 - HB2 LEU 87 OK 11 96 - 11 - 411/3.9=1, 4129/1.8=1 H VAL 66 - HB3 LEU 85 OK 11 92 - 11 - 1013/4.0=2, 306=1, 4120/1.8=1 H GLU 22 - HB3 LEU 85 poor 10 84 - 12 - 4120/1.8=1, 1013/4.0=1...(5) H GLU 22 - HB2 LEU 87 poor 9 89 - 10 - 4.6/588=2, 4131/3.1=1 Peak 4129 from cnoeabs.peaks (8.25, 1.53, 42.16 ppm; 4.28 A): 3 out of 10 assignments used, quality = 1.00: * H ASP 88 + HB3 LEU 87 OK 100 100 - 100 - 4.2=100 H ALA 86 + HB2 LEU 85 OK 84 84 - 100 - 4.3=100 H ALA 86 + HB3 LEU 87 OK 67 100 - 68 - 1014/3.9=19, 405/3.0=14...(14) H ASP 88 - HB2 LEU 85 OK 36 84 - 44 - 1013/4.0=7, 415/3.0=6...(13) H GLU 77 - HB3 LEU 87 OK 13 95 - 14 - 361/3.1=3, 1015/3.9=3...(6) H VAL 66 - HB3 LEU 87 OK 10 96 - 10 - 411/3.9=1, 4.0/5466=1...(4) H GLU 22 - HB3 LEU 87 poor 9 89 - 10 - 4131/3.1=1, 1015/3.9=1...(4) H GLU 77 - HB2 LEU 85 poor 9 75 - 11 - 361/3.1=2, 1013/4.0=2...(4) H GLU 22 - HB2 LEU 85 poor 8 69 - 12 - 1013/4.0=1, 4131/3.1=1 H VAL 66 - HB2 LEU 85 lone 8 76 - 10 - 1013/4.0=2, 4121/1.8=1 Peak 4130 from cnoeabs.peaks (8.25, 1.61, 26.77 ppm; 4.56 A): 3 out of 20 assignments used, quality = 0.99: * H ASP 88 + HG LEU 87 OK 91 100 - 91 - 4.9=82, 415/3.7=16...(7) H ALA 86 + HG LEU 85 OK 75 100 - 75 - 404/5.1=23, 405/3.7=21...(11) H ALA 86 + HG LEU 87 OK 66 100 - 67 - 1014/5.2=16, 405/3.7=13...(12) H ASP 88 - HG LEU 85 OK 43 100 - 43 - 1013/5.1=6, 4.6/925=6...(13) H GLU 77 - HG LEU 73 OK 33 90 - 37 - 5705/2.1=10, 1096/3.7=9...(8) H GLU 77 - HG LEU 23 OK 21 94 - 22 - 1096/4.3=5, 5808/2.1=5...(7) H GLU 77 - HG LEU 87 OK 19 95 - 20 - 361/2.1=3, 4132/2.1=2...(10) H ASP 88 - HG LEU 73 OK 18 98 - 19 - 5705/2.1=3, 4226/3.7=2...(9) H GLU 22 - HG LEU 23 OK 18 89 - 20 - 71/5.1=12, ~4164=1...(5) H ASP 88 - HG LEU 23 OK 17 100 - 17 - 71/5.1=4, 305/3.0=2...(5) H GLU 22 - HG LEU 73 OK 17 84 - 21 - 4.6/588=5, ~3197=2...(10) H ALA 86 - HG LEU 73 OK 17 98 - 18 - 410/2.1=4, 5705/2.1=2...(7) H GLU 77 - HG LEU 85 OK 16 93 - 17 - 361/2.1=3, 4124/2.1=2...(7) H VAL 66 - HG LEU 73 OK 15 91 - 17 - 5705/2.1=5, 303/3.0=2...(5) H ALA 86 - HG LEU 23 OK 13 100 - 13 - 71/5.1=2, 409/2.1=2...(4) H GLU 22 - HG LEU 85 OK 13 87 - 15 - 4.6/588=2, 4131/2.1=2...(7) H GLU 22 - HG LEU 87 OK 12 89 - 13 - 4.6/588=2, 4131/2.1=2 H VAL 66 - HG LEU 23 OK 11 96 - 12 - 305/3.0=2, 3.6/4176=2...(4) H VAL 66 - HG LEU 85 OK 11 95 - 12 - 1013/5.1=2, 4124/2.1=1...(5) H VAL 66 - HG LEU 87 OK 11 96 - 12 - 4132/2.1=1, 4131/2.1=1...(5) Peak 4131 from cnoeabs.peaks (8.25, 0.89, 24.73 ppm; 4.31 A): 3 out of 10 assignments used, quality = 0.99: * H ASP 88 + QD1 LEU 87 OK 85 100 - 85 - 4.8=71, 415/4.1=14...(7) H ALA 86 + QD1 LEU 85 OK 71 100 - 71 - 404/4.7=24, 405/4.0=18...(10) H ALA 86 + QD1 LEU 87 OK 66 100 - 66 - 1014/4.7=16, 405/4.1=11...(13) H ASP 88 - QD1 LEU 85 OK 42 100 - 42 - 1013/4.7=6, 415/4.0=5...(13) H GLU 77 - QD1 LEU 87 OK 22 95 - 23 - 361=4, 4132/2.1=2...(11) H GLU 77 - QD1 LEU 85 OK 18 94 - 19 - 361=3, 4124/2.1=2...(9) H GLU 22 - QD1 LEU 85 OK 16 88 - 18 - 4.0/4451=3, 4.6/589=2...(8) H GLU 22 - QD1 LEU 87 OK 14 89 - 15 - 4.0/5958=2, 4.6/589=2...(6) H VAL 66 - QD1 LEU 85 OK 10 95 - 10 - 1013/4.7=2, 4124/2.1=1 H VAL 66 - QD1 LEU 87 OK 10 96 - 10 - 4132/2.1=1, 1015/4.7=1 Peak 4132 from cnoeabs.peaks (8.25, 0.84, 23.40 ppm; 4.31 A): 3 out of 10 assignments used, quality = 0.99: * H ASP 88 + QD2 LEU 87 OK 85 100 - 85 - 4.8=71, 415/4.1=14...(7) H ALA 86 + QD2 LEU 85 OK 68 94 - 73 - 404/4.7=24, 405/4.0=18...(11) H ALA 86 + QD2 LEU 87 OK 68 100 - 69 - 1014/4.7=16, 410=13...(13) H ASP 88 - QD2 LEU 85 OK 41 94 - 44 - 1013/4.7=6, 3.6/3655=6...(13) H GLU 77 - QD2 LEU 87 OK 21 95 - 22 - 361/2.1=3, 4.6/6174=3...(9) H GLU 77 - QD2 LEU 85 OK 14 85 - 16 - 361/2.1=3, 4.6/6174=2...(6) H VAL 66 - QD2 LEU 87 OK 12 96 - 12 - 1043/5959=2, 1015/4.7=1 H VAL 66 - QD2 LEU 85 OK 10 87 - 11 - 1043/5959=2, 1013/4.7=2...(4) H GLU 22 - QD2 LEU 87 poor 10 89 - 11 - 4131/2.1=1, 5.0/4464=1 H GLU 22 - QD2 LEU 85 poor 9 79 - 12 - 4131/2.1=2, 1013/4.7=1 Peak 4133 from cnoeabs.peaks (8.11, 4.53, 53.81 ppm; 3.62 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 89 + HA ASP 88 OK 100 100 - 100 - 3.6=100 H LEU 30 - HA ASP 88 lone 6 100 - 6 - 1016/3.0=2, 4135/3.0=1 H ALA 71 - HA ASP 88 lone 2 83 - 3 - H MET 11 - HA ASP 88 lone 2 99 - 2 - Peak 4134 from cnoeabs.peaks (8.11, 2.67, 40.95 ppm; 4.41 A): 1 out of 8 assignments used, quality = 1.00: * H ALA 89 + HB2 ASP 88 OK 100 100 - 100 - 4.4=100 H ALA 89 - HB2 ASP 82 OK 23 78 - 29 - 3.6/3663=9, 424/1.8=8...(5) H LEU 30 - HB2 ASP 88 lone 8 100 - 8 - 1016/3.6=3, 4135/1.8=2 H MET 11 - HB2 ASP 88 lone 4 99 - 4 - 4135/1.8=1 H ALA 71 - HB2 ASP 88 lone 4 83 - 4 - 4135/1.8=1 H MET 11 - HB2 ASP 82 lone 3 76 - 3 - 4135/1.8=1 H LEU 30 - HB2 ASP 82 lone 2 78 - 2 - H ALA 71 - HB2 ASP 82 lone 1 58 - 2 - Peak 4135 from cnoeabs.peaks (8.11, 2.58, 40.95 ppm; 4.25 A): 1 out of 8 assignments used, quality = 0.96: * H ALA 89 + HB3 ASP 88 OK 96 100 - 96 - 4.4=92, 422/3.0=40, 4.6/931=16 H ALA 89 - HB3 ASP 82 OK 28 94 - 30 - 3.6/3670=9, 424=9...(5) H LEU 30 - HB3 ASP 88 lone 8 100 - 8 - 1016/3.6=3, 4134/1.8=2 H ALA 71 - HB3 ASP 88 lone 5 83 - 6 - 3.6/5920=2 H MET 11 - HB3 ASP 88 lone 4 99 - 4 - 4134/1.8=1 H MET 11 - HB3 ASP 82 lone 4 93 - 4 - H LEU 30 - HB3 ASP 82 lone 3 94 - 3 - H ALA 71 - HB3 ASP 82 lone 3 74 - 4 - 3.6/5920=2 Peak 4136 from cnoeabs.peaks (8.38, 4.25, 52.50 ppm; 4.40 A): 1 out of 6 assignments used, quality = 1.00: * H ASN 90 + HA ALA 89 OK 100 100 - 100 - 3.6=100 H GLY 39 - HA ALA 89 OK 14 100 - 14 - 691=4, 1017/3.0=2...(5) H GLY 40 - HA ALA 89 lone 9 100 - 9 - 184=2, 4.6/691=2...(5) H LEU 23 - HA ALA 89 lone 7 99 - 7 - 1017/3.0=3, 4137/2.1=2 H ALA 72 - HA ALA 89 lone 4 60 - 6 - 1017/3.0=1, 4.6/3673=1 H ARG 28 - HA ALA 89 lone 3 68 - 5 - 1017/3.0=1 Peak 4137 from cnoeabs.peaks (8.38, 1.35, 19.01 ppm; 4.28 A): 1 out of 12 assignments used, quality = 1.00: * H ASN 90 + QB ALA 89 OK 100 100 - 100 - 3.6=100 H GLY 39 - QB ALA 89 lone 9 100 - 9 - 4136/2.1=4, 1017/2.9=2 H ASN 90 - QB ALA 86 lone 8 84 - 10 - 3.6/3675=4, 4.6/3676=3, 427=2 H LEU 23 - QB ALA 89 lone 6 99 - 6 - 1017/2.9=2, 4136/2.1=2 H GLY 40 - QB ALA 89 lone 6 100 - 6 - 4136/2.1=2, 1017/2.9=1 H LEU 23 - QB ALA 86 lone 5 81 - 6 - 71/2.9=3 H ALA 72 - QB ALA 89 lone 3 60 - 6 - 1017/2.9=1, 4.6/3676=1 H ARG 28 - QB ALA 89 lone 3 68 - 4 - 1017/2.9=1 H GLY 39 - QB ALA 86 lone 3 84 - 3 - H GLY 40 - QB ALA 86 lone 2 84 - 2 - H ALA 72 - QB ALA 86 lone 1 44 - 2 - H ARG 28 - QB ALA 86 lone 1 50 - 1 - Peak 4139 from cnoeabs.peaks (7.72, 2.83, 38.59 ppm; 3.98 A): 2 out of 8 assignments used, quality = 0.79: * H LYS 91 + HB2 ASN 90 OK 70 100 - 70 - 4.6=63, 1018/4.0=16 H ASN 24 + HB3 ASN 24 OK 29 29 - 100 - 3.7=100 H ASN 24 - HB2 ASN 90 poor 9 68 - 12 - 1018/4.0=4, 6135/3.0=3...(4) H ASN 24 - HB2 ASN 18 poor 8 37 - 21 - 594/1.8=4, 594=3...(10) H ASN 24 - HB3 ASN 18 poor 7 35 - 21 - 594/1.8=4, 594=3...(10) H LYS 91 - HB3 ASN 24 lone 5 52 - 10 - 446/3.5=1, 452/3.5=1...(7) H LYS 91 - HB2 ASN 18 lone 3 65 - 4 - H LYS 91 - HB3 ASN 18 lone 3 62 - 4 - Peak 4140 from cnoeabs.peaks (7.72, 2.71, 38.59 ppm; 6.20 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 91 + HB3 ASN 90 OK 100 100 - 100 - 4.6=100 H ASN 24 - HB3 ASN 90 OK 16 68 - 23 - 1018/4.0=8, 4.6/3691=4...(4) Peak 4141 from cnoeabs.peaks (7.12, 3.99, 64.88 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.88: * H MET 21 + HA PRO 19 OK 75 100 - 75 - 958/3.5=30, 4.6/4142=20...(12) HD22 ASN 18 + HA PRO 19 OK 51 100 - 51 - 958/3.5=20, 4341/3.6=16...(10) HD2 HIS 42 - HA PRO 19 lone 3 65 - 4 - Peak 4142 from cnoeabs.peaks (8.23, 3.99, 64.88 ppm; 4.33 A): 4 out of 6 assignments used, quality = 0.76: * H GLU 22 + HA PRO 19 OK 60 100 - 60 - 1019/3.5=13, 1024=13...(12) HE21 GLN 58 + HA PRO 19 OK 22 87 - 25 - 1019/3.5=4, 5.6/5272=2...(12) H ASP 88 + HA PRO 19 OK 14 89 - 16 - 1019/3.5=4, 1024=3...(4) H LYS 56 + HA PRO 19 OK 11 60 - 18 - 4.7/4364=5, 1019/3.5=3...(4) H VAL 66 - HA PRO 19 poor 7 60 - 11 - 4.0/4364=4, 4.0/4143=2 H ALA 86 - HA PRO 19 lone 6 89 - 7 - 1019/3.5=2 Peak 4143 from cnoeabs.peaks (1.84, 3.99, 64.88 ppm; 3.58 A): 6 out of 11 assignments used, quality = 0.95: HG3 PRO 19 + HA PRO 19 OK 64 71 - 90 - 3.8=81, 2.3/1456=27...(5) * HB2 GLU 22 + HA PRO 19 OK 47 100 - 47 - 4144=12, 4.0/4142=8...(11) HB3 PRO 84 + HA PRO 19 OK 44 96 - 46 - 3553/2.3=6, 3553/2.3=6...(19) HG2 PRO 81 + HA PRO 19 OK 31 87 - 35 - 2.3/5916=4, 2.3/5917=4...(15) HB3 LYS 78 + HA PRO 19 OK 21 63 - 33 - 2.8/5821=4, 2.8/5822=4...(15) HB VAL 66 + HA PRO 19 OK 14 100 - 14 - 2.1/4364=5, ~6027=2 HB2 GLU 49 - HA PRO 19 lone 7 100 - 7 - HB3 GLU 37 - HA PRO 19 lone 4 85 - 4 - HB2 GLU 37 - HA PRO 19 lone 2 65 - 3 - HB3 GLU 33 - HA PRO 19 lone 2 63 - 3 - HB2 LYS 44 - HA PRO 19 lone 2 63 - 3 - 4.0/3832=1 Peak 4144 from cnoeabs.peaks (3.99, 1.84, 29.30 ppm; 3.88 A): 5 out of 7 assignments used, quality = 0.87: HA GLU 25 + HB2 GLU 22 OK 54 92 - 59 - 3.0/1559=9, 4146/1.8=8...(19) * HA PRO 19 + HB2 GLU 22 OK 51 100 - 51 - 4142/4.0=10, 4143=10...(11) HA ALA 72 + HB2 GLU 22 OK 20 68 - 29 - 2.1/6121=3, 4456/3.0=3...(13) HA LEU 79 + HB2 GLU 22 OK 16 85 - 19 - 1029/4.6=4, 4146/1.8=2...(9) HA ALA 71 + HB2 GLU 22 OK 12 81 - 15 - 4456/3.0=2, 4146/1.8=2...(7) HB3 SER 62 - HB2 GLU 22 lone 10 100 - 9 - 4457/3.0=1, 4.3/5392=1...(4) HA3 GLY 16 - HB2 GLU 22 lone 8 92 - 9 - 1024/4.0=1, 1029/4.6=1...(5) Peak 4145 from cnoeabs.peaks (1.94, 3.99, 64.88 ppm; 3.19 A): 5 out of 15 assignments used, quality = 0.93: HG2 PRO 19 + HA PRO 19 OK 68 89 - 76 - 3.8=57, 2.3/1456=23...(5) HG3 PRO 84 + HA PRO 19 OK 39 99 - 39 - 2.3/4143=5, 3569/3.6=5...(18) * HB3 GLU 22 + HA PRO 19 OK 38 100 - 38 - 1.8/4144=8, 4.0/4142=6...(10) HB VAL 20 + HA PRO 19 OK 27 100 - 27 - 1491/3.5=12, 4.4/4141=4...(5) HG3 PRO 81 + HA PRO 19 OK 21 76 - 28 - 1.8/4143=4, 2.3/5916=3...(15) HB2 LEU 76 - HA PRO 19 OK 17 100 - 17 - 3.1/4365=7, 3.1/4366=2...(4) HB3 PRO 81 - HA PRO 19 OK 16 65 - 25 - 2.3/4143=3, 3.0/5916=3...(14) HD2 LYS 78 - HA PRO 19 OK 15 78 - 19 - 2.9/5821=3, 2.9/5822=3...(8) HB2 GLU 77 - HA PRO 19 OK 13 90 - 14 - 4.1/5820=2, 4146=2 HB2 GLN 58 - HA PRO 19 OK 12 87 - 14 - 2.9/5272=2, 4.6/4142=2...(5) HB2 GLU 33 - HA PRO 19 lone 5 100 - 5 - HG3 GLU 49 - HA PRO 19 lone 5 90 - 5 - QE MET 48 - HA PRO 19 lone 3 96 - 4 - HB VAL 47 - HA PRO 19 lone 2 96 - 2 - HB2 GLU 51 - HA PRO 19 lone 2 71 - 2 - Peak 4146 from cnoeabs.peaks (3.99, 1.94, 29.30 ppm; 3.80 A): 7 out of 14 assignments used, quality = 0.95: HA GLU 25 + HB3 GLU 22 OK 55 92 - 60 - 4144/1.8=11, ~4163=6...(21) HA GLU 25 + HB2 GLU 77 OK 52 74 - 70 - 1642/3.0=11, 1643/3.0=10...(32) * HA PRO 19 + HB3 GLU 22 OK 50 100 - 50 - 4144/1.8=11, 4142/4.0=10...(11) HA ALA 72 + HB3 GLU 22 OK 20 68 - 29 - 4144/1.8=4, 2.1/6120=3...(12) HA PRO 19 + HB2 GLU 77 OK 17 86 - 20 - 5820/4.1=3, 4145=2, 3.5/568=1 HA LEU 79 + HB3 GLU 22 OK 16 85 - 19 - 1029/4.6=3, 4144/1.8=3...(7) HA ALA 71 + HB3 GLU 22 OK 13 81 - 16 - 4144/1.8=3, 4456/3.0=2...(5) HA3 GLY 16 - HB3 GLU 22 lone 9 92 - 9 - 4144/1.8=2, 1024/4.0=1...(5) HB3 SER 62 - HB3 GLU 22 lone 8 100 - 8 - 4144/1.8=2, 4457/3.0=1 HA ALA 72 - HB2 GLU 77 poor 7 52 - 14 - ~4201=2, ~1070=2...(5) HA LEU 79 - HB2 GLU 77 poor 7 66 - 11 - 5820/4.1=5 HA ALA 71 - HB2 GLU 77 lone 5 63 - 7 - ~1063=1 HA3 GLY 16 - HB2 GLU 77 lone 4 74 - 5 - HB3 SER 62 - HB2 GLU 77 lone 3 85 - 3 - Peak 4147 from cnoeabs.peaks (8.38, 3.99, 64.88 ppm; 4.96 A): 3 out of 4 assignments used, quality = 0.76: * H LEU 23 + HA PRO 19 OK 65 100 - 66 - 4486/3.5=15, 4.6/4142=14...(15) H GLY 40 + HA PRO 19 OK 19 99 - 19 - 4791/3.5=8, 3.0/1457=2 H GLY 39 + HA PRO 19 OK 13 99 - 14 - 4.2/4364=7 H ASN 90 - HA PRO 19 lone 6 99 - 6 - Peak 4148 from cnoeabs.peaks (8.23, 3.38, 65.78 ppm; 5.61 A): 3 out of 6 assignments used, quality = 0.93: * H GLU 22 + HA VAL 20 OK 86 100 - 86 - 959/3.5=26, 4.6/4149=25...(15) HE21 GLN 58 + HA VAL 20 OK 31 87 - 36 - 1019/3.0=7, 4416/3.2=5...(14) H ASP 88 + HA VAL 20 OK 30 89 - 34 - 959/3.5=8, 1022=7...(8) H LYS 56 - HA VAL 20 OK 22 60 - 37 - 959/3.5=6, 1019/3.0=5...(11) H ALA 86 - HA VAL 20 OK 13 89 - 14 - 959/3.5=3, 1019/3.0=3...(5) H VAL 66 - HA VAL 20 poor 7 60 - 12 - ~5460=4, 1019/3.0=1, 959/3.5=1 Peak 4149 from cnoeabs.peaks (8.38, 3.38, 65.78 ppm; 4.24 A): 3 out of 4 assignments used, quality = 0.88: * H LEU 23 + HA VAL 20 OK 84 100 - 84 - 1028=34, 1027/3.5=17...(17) H GLY 40 + HA VAL 20 OK 16 99 - 17 - 4791/3.0=6, 1021/3.5=4 H ASN 90 + HA VAL 20 OK 11 99 - 11 - 1021/3.5=2, 77/4154=2...(4) H GLY 39 - HA VAL 20 lone 8 99 - 8 - 1021/3.5=2, 77/4154=1 Peak 4150 from cnoeabs.peaks (2.02, 3.38, 65.78 ppm; 3.86 A): 8 out of 10 assignments used, quality = 0.86: * HB2 LEU 23 + HA VAL 20 OK 62 100 - 62 - 3.9/4149=15, 1.8/4153=14...(12) HE3 LYS 68 + HA VAL 20 OK 21 60 - 35 - ~4395=9, ~4399=8...(9) HG2 PRO 84 + HA VAL 20 OK 17 83 - 20 - ~58=3, 1.8/3496=3...(7) HB2 GLN 55 + HA VAL 20 OK 13 81 - 17 - 5187/3.5=3, 5170/3.2=3...(8) HG3 GLN 55 + HA VAL 20 OK 11 78 - 15 - 5182/3.2=3, 5182/3.2=2...(7) HB3 GLU 49 + HA VAL 20 OK 11 100 - 11 - 6102/5682=1 HB2 GLU 25 + HA VAL 20 OK 10 76 - 13 - 3.0/4391=2, 79/4154=1...(6) HG2 GLU 49 + HA VAL 20 OK 10 100 - 10 - 6102/5682=1 HB2 LYS 78 - HA VAL 20 poor 9 78 - 12 - ~56=2 HB2 LEU 34 - HA VAL 20 lone 5 81 - 6 - Peak 4151 from cnoeabs.peaks (3.38, 2.02, 40.48 ppm; 5.15 A): 3 out of 4 assignments used, quality = 0.90: * HA VAL 20 + HB2 LEU 23 OK 82 100 - 82 - 4153/1.8=27, 4149/3.9=25...(14) HD2 PRO 81 + HB2 LEU 23 OK 34 100 - 34 - 4153/1.8=13, 1028/3.9=11...(4) HA VAL 20 + HE3 LYS 68 OK 19 38 - 50 - ~4395=16, ~4399=14...(10) HD2 PRO 81 - HE3 LYS 68 lone 2 37 - 5 - Peak 4152 from cnoeabs.peaks (1.26, 3.38, 65.78 ppm; 4.36 A): 4 out of 7 assignments used, quality = 0.95: * HB3 LEU 23 + HA VAL 20 OK 72 100 - 72 - 4153=20, 3.9/4149=19...(12) HB2 LEU 79 + HA VAL 20 OK 56 99 - 57 - 4402/3.2=8, 4.6/5879=7...(27) HG3 LYS 17 + HA VAL 20 OK 40 97 - 41 - 4.8/1486=6, 1369/3.0=5...(15) HG2 LYS 17 + HA VAL 20 OK 31 81 - 38 - 4.8/1486=6, 1359/3.0=6...(13) HG3 LYS 56 - HA VAL 20 OK 23 83 - 28 - 2.9/4389=4, 4402/3.2=3...(14) HG3 LYS 65 - HA VAL 20 lone 9 100 - 9 - 4402/3.2=2 HG13 ILE 35 - HA VAL 20 lone 3 57 - 6 - Peak 4153 from cnoeabs.peaks (3.38, 1.26, 40.48 ppm; 5.20 A): 2 out of 2 assignments used, quality = 0.88: * HA VAL 20 + HB3 LEU 23 OK 80 100 - 80 - 4149/3.9=25, 4151/1.8=25...(14) HD2 PRO 81 + HB3 LEU 23 OK 39 100 - 39 - 1028/3.9=11, 4151/1.8=10...(7) Peak 4154 from cnoeabs.peaks (7.74, 3.38, 65.78 ppm; 5.24 A): 1 out of 2 assignments used, quality = 0.86: * H ASN 24 + HA VAL 20 OK 86 100 - 86 - 4414/3.2=36, 1034=36...(12) H LYS 91 - HA VAL 20 poor 8 68 - 11 - 4.6/4149=3, 961/4149=2...(4) Peak 4155 from cnoeabs.peaks (8.38, 4.14, 57.74 ppm; 5.60 A): 4 out of 4 assignments used, quality = 0.93: * H LEU 23 + HA MET 21 OK 87 100 - 87 - 4.6/4156=34, 1027/3.0=30...(16) H GLY 40 + HA MET 21 OK 20 99 - 20 - 1021/3.0=7, 960/3.6=4...(5) H ASN 90 + HA MET 21 OK 19 99 - 19 - 960/3.6=4, 1021/3.0=4...(5) H GLY 39 + HA MET 21 OK 14 99 - 14 - 960/3.6=4, 1021/3.0=3...(4) Peak 4156 from cnoeabs.peaks (7.74, 4.14, 57.74 ppm; 4.04 A): 1 out of 2 assignments used, quality = 0.76: * H ASN 24 + HA MET 21 OK 76 100 - 76 - 1033=32, 3.7/4157=21...(12) H LYS 91 - HA MET 21 lone 6 68 - 8 - 4.6/4155=2, 1025/3.6=2 Peak 4157 from cnoeabs.peaks (2.92, 4.14, 57.74 ppm; 3.42 A): 2 out of 6 assignments used, quality = 0.69: * HB2 ASN 24 + HA MET 21 OK 63 100 - 64 - 4158=18, 3.7/4156=17...(14) HB2 ASN 63 + HA MET 21 OK 15 99 - 15 - 1.8/4159=3, 593/4156=2...(5) HB3 PHE 80 - HA MET 21 lone 7 96 - 7 - 4.0/4422=2, 593/4156=1 HB2 ASP 53 - HA MET 21 lone 2 71 - 2 - HE2 LYS 14 - HA MET 21 lone 2 98 - 2 - HE3 LYS 14 - HA MET 21 lone 1 96 - 1 - Peak 4158 from cnoeabs.peaks (4.14, 2.92, 38.33 ppm; 4.13 A): 2 out of 8 assignments used, quality = 0.88: * HA MET 21 + HB2 ASN 24 OK 81 100 - 81 - 4157=35, 4156/3.7=25...(14) HA ALA 74 + HB2 ASN 24 OK 34 100 - 34 - 1038/4.6=9, 1033/3.7=8...(6) HB2 SER 62 - HB2 ASN 24 lone 6 68 - 8 - 4.3/797=5 HB THR 83 - HB2 ASN 24 lone 4 83 - 5 - 1033/3.7=1, 1038/4.6=1 HA MET 21 - HB2 ASP 53 lone 2 60 - 4 - HA ALA 74 - HB2 ASP 53 lone 2 59 - 4 - ~5720=1 HB2 SER 62 - HB2 ASP 53 lone 1 34 - 2 - HB THR 83 - HB2 ASP 53 lone 1 43 - 1 - Peak 4159 from cnoeabs.peaks (2.86, 4.14, 57.74 ppm; 3.45 A): 3 out of 10 assignments used, quality = 0.95: * HB3 ASN 24 + HA MET 21 OK 68 100 - 68 - 1.8/4157=25, 3.7/4156=17...(13) HB2 ASN 18 + HA MET 21 OK 61 100 - 61 - 3.5/1506=8, 4160=7...(22) HB3 ASN 18 + HA MET 21 OK 61 100 - 61 - 3.5/1506=8, 4160=7...(22) HB3 ASN 63 - HA MET 21 OK 21 100 - 21 - 1.8/4157=6, 2813/4157=3...(8) HE3 LYS 17 - HA MET 21 OK 13 100 - 13 - 4433/3.0=1, 4434/3.0=1...(7) HE2 LYS 17 - HA MET 21 OK 12 97 - 13 - 4440/5.3=1, 4433/3.0=1...(6) HB3 TYR 32 - HA MET 21 lone 6 100 - 6 - HB2 ASN 90 - HA MET 21 lone 3 71 - 5 - 4.0/4155=1, 4.6/4156=1 HE2 LYS 65 - HA MET 21 lone 3 73 - 3 - HE3 LYS 65 - HA MET 21 lone 2 63 - 3 - Peak 4160 from cnoeabs.peaks (4.14, 2.86, 38.33 ppm; 4.05 A): 3 out of 16 assignments used, quality = 0.98: * HA MET 21 + HB3 ASN 24 OK 81 100 - 81 - 4157/1.8=32, 4156/3.7=24...(13) HA MET 21 + HB2 ASN 18 OK 68 90 - 76 - 4159=12, 1506/3.5=11...(26) HA MET 21 + HB3 ASN 18 OK 68 90 - 76 - 4159=12, 1506/3.5=11...(26) HA ALA 74 - HB3 ASN 24 OK 37 100 - 37 - 4158/1.8=10, 1038/4.6=8...(6) HA ALA 74 - HB2 ASN 18 lone 8 89 - 9 - HA ALA 74 - HB3 ASN 18 lone 8 89 - 9 - HB2 SER 62 - HB3 ASN 24 lone 6 68 - 9 - 4.3/798=5, 4158/1.8=2 HB THR 83 - HB3 ASN 24 lone 5 83 - 6 - 4158/1.8=1, 1033/3.7=1 HB THR 83 - HB2 ASN 18 lone 5 69 - 7 - 5933/4.8=4, 4.5/4357=1 HB THR 83 - HB3 ASN 18 lone 5 69 - 7 - 5933/4.8=4, 4.5/4357=1 HA MET 21 - HB2 ASN 90 lone 4 52 - 7 - 4155/4.0=2, 4156/4.6=1 HB2 SER 62 - HB2 ASN 18 lone 2 56 - 4 - 4.3/798=1 HB2 SER 62 - HB3 ASN 18 lone 2 55 - 4 - 4.3/798=1 HA ALA 74 - HB2 ASN 90 lone 1 51 - 2 - HB THR 83 - HB2 ASN 90 lone 0 37 - 1 - HB2 SER 62 - HB2 ASN 90 lone 0 29 - 1 - Peak 4161 from cnoeabs.peaks (7.36, 4.14, 57.74 ppm; 5.29 A): 2 out of 3 assignments used, quality = 0.92: * H GLU 25 + HA MET 21 OK 78 100 - 78 - 4.6/4156=31, 4.6/4157=26...(17) H ALA 75 + HA MET 21 OK 63 100 - 63 - 351=14, 2.9/5756=10...(19) QE PHE 46 - HA MET 21 lone 7 81 - 9 - 962/4156=2, 3859/4157=1 Peak 4162 from cnoeabs.peaks (7.74, 3.89, 59.27 ppm; 5.22 A): 2 out of 2 assignments used, quality = 0.83: * H ASN 24 + HA GLU 22 OK 81 100 - 81 - 961/3.6=38, 1031=28...(14) H LYS 91 + HA GLU 22 OK 12 68 - 18 - 961/3.6=7, 4.6/3847=4...(4) Peak 4163 from cnoeabs.peaks (7.36, 3.89, 59.27 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.84: * H GLU 25 + HA GLU 22 OK 68 100 - 68 - 1037=22, 1036/3.6=17...(14) H ALA 75 + HA GLU 22 OK 49 100 - 49 - 1030/3.6=8, 1083=7...(18) QE PHE 46 - HA GLU 22 lone 5 81 - 6 - 1030/3.6=1 Peak 4164 from cnoeabs.peaks (1.99, 3.89, 59.27 ppm; 3.75 A): 4 out of 12 assignments used, quality = 0.93: * HB2 GLU 25 + HA GLU 22 OK 62 100 - 62 - 4165=19, 1.8/1553=13...(19) HB3 PRO 19 + HA GLU 22 OK 52 98 - 54 - 3.5/4386=8, 4368=7...(18) HB2 PRO 19 + HA GLU 22 OK 51 95 - 54 - 3.5/4386=8, 4368=7...(18) HB2 LYS 78 + HA GLU 22 OK 27 100 - 27 - 2.8/6202=5, 4.0/364=4...(8) HB2 LEU 23 - HA GLU 22 OK 23 76 - 30 - 3.9/72=14, 4.6/4162=11, ~4222=1 HB3 PRO 81 - HA GLU 22 OK 19 76 - 25 - 2.3/1550=3, 2.3/5918=2...(5) HG2 PRO 84 - HA GLU 22 OK 18 100 - 18 - 2.3/1550=3, 1.8/1551=2...(4) HB3 GLU 49 - HA GLU 22 OK 16 71 - 23 - 1.8/1550=4, 586/3.6=2...(10) HG2 GLU 49 - HA GLU 22 OK 16 76 - 20 - 3.0/1550=3, 586/3.6=2...(8) HB2 LEU 34 - HA GLU 22 OK 12 100 - 12 - ~4453=2, 3.0/6122=1...(4) HE3 LYS 68 - HA GLU 22 lone 5 99 - 5 - HB2 GLU 51 - HA GLU 22 lone 2 71 - 2 - Peak 4165 from cnoeabs.peaks (3.89, 1.99, 29.47 ppm; 3.86 A): 3 out of 5 assignments used, quality = 0.86: HA GLU 77 + HB2 GLU 25 OK 61 85 - 72 - 3.7/1649=10, 3.7/1648=10...(32) * HA GLU 22 + HB2 GLU 25 OK 59 100 - 59 - 1553/1.8=13, 4163/4.1=11...(20) HA LEU 73 + HB2 GLU 25 OK 16 76 - 22 - 1037/4.1=4, 4167/1.8=3...(10) HA ALA 69 - HB2 GLU 25 lone 5 81 - 6 - 1037/4.1=1 HA3 GLY 29 - HB2 GLU 25 lone 3 85 - 4 - Peak 4166 from cnoeabs.peaks (2.10, 3.89, 59.27 ppm; 3.21 A): 4 out of 4 assignments used, quality = 0.91: HG3 GLU 22 + HA GLU 22 OK 61 76 - 80 - 4.0=52, 1.8/1567=16...(16) HG2 GLU 22 + HA GLU 22 OK 49 63 - 77 - 4.0=52, 1.8/1573=17...(12) * HB3 GLU 25 + HA GLU 22 OK 44 100 - 44 - 1.8/4165=11, 4.1/4163=8...(13) HB3 GLU 77 + HA GLU 22 OK 25 63 - 40 - 1.8/1561=5, 3270=4...(21) Peak 4167 from cnoeabs.peaks (3.89, 2.10, 29.47 ppm; 3.86 A): 4 out of 10 assignments used, quality = 0.94: * HA GLU 22 + HB3 GLU 25 OK 60 100 - 60 - 4165/1.8=15, 4166=12...(18) HA GLU 77 + HB3 GLU 25 OK 59 85 - 69 - 4165/1.8=16, 3261/3.0=8...(30) HA GLU 77 + HB3 GLU 77 OK 46 46 - 100 - 3.0=100 HA GLU 22 + HB3 GLU 77 OK 33 62 - 54 - 4166=7, 1561/1.8=6...(27) HA LEU 73 - HB3 GLU 25 OK 16 76 - 21 - 4165/1.8=4, 1037/4.1=4...(8) HA LEU 73 - HB3 GLU 77 poor 8 40 - 21 - 1096/4.0=5, ~1076=2...(9) HA ALA 69 - HB3 GLU 77 poor 5 43 - 12 - 5577/1.8=2, 364/4.1=1...(7) HA ALA 69 - HB3 GLU 25 lone 4 81 - 6 - 4165/1.8=1, 1037/4.1=1 HA3 GLY 29 - HB3 GLU 77 lone 3 46 - 7 - HA3 GLY 29 - HB3 GLU 25 lone 3 85 - 3 - Peak 4168 from cnoeabs.peaks (7.36, 3.93, 57.73 ppm; 4.29 A): 3 out of 6 assignments used, quality = 0.96: * H GLU 25 + HA LEU 23 OK 75 100 - 76 - 84/3.6=33, 1035=20...(10) H ALA 75 + HA LEU 73 OK 64 79 - 81 - 350/3.6=37, 1084/3.0=29...(21) H ALA 75 + HA LEU 23 OK 52 100 - 52 - 1030/3.0=9, 962/3.6=9...(17) H GLU 25 - HA LEU 73 OK 38 80 - 48 - 1035=10, 1006/3.6=9...(12) QE PHE 46 - HA LEU 73 OK 12 58 - 21 - 1077/3.0=4, 1006/3.6=4...(9) QE PHE 46 - HA LEU 23 OK 10 81 - 13 - 962/3.6=3, 3858/4.8=2 Peak 4169 from cnoeabs.peaks (8.26, 3.28, 60.43 ppm; 4.41 A): 5 out of 7 assignments used, quality = 0.95: * H VAL 66 + HA LYS 64 OK 73 100 - 73 - 1041=27, 4.7/4170=24...(12) H LYS 64 + HA LYS 64 OK 60 60 - 100 - 3.0=100 H GLU 77 + HA LYS 64 OK 30 100 - 30 - 997/3.6=6, 362/4.1=5...(9) H ASP 88 + HA LYS 64 OK 20 96 - 20 - 1041=5, 997/3.6=5...(5) H ALA 86 + HA LYS 64 OK 12 96 - 13 - 404/3.0=3, 997/3.6=2, 920/3.0=1 H GLY 16 - HA LYS 64 poor 9 63 - 14 - ~4304=2, ~4309=2...(6) H GLU 22 - HA LYS 64 lone 3 60 - 5 - 4.0/5425=1 Peak 4170 from cnoeabs.peaks (7.41, 3.28, 60.43 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.87: * H ALA 67 + HA LYS 64 OK 87 100 - 87 - 1046=43, 2.9/4172=34...(15) Peak 4171 from cnoeabs.peaks (1.37, 3.28, 60.43 ppm; 3.02 A): 2 out of 11 assignments used, quality = 0.99: HB2 LYS 64 + HA LYS 64 OK 98 98 - 100 - 3.0=100 * QB ALA 67 + HA LYS 64 OK 65 100 - 65 - 4172=33, 2.9/4170=17...(18) HG2 LYS 68 - HA LYS 64 OK 28 100 - 29 - 4.9/1051=9, 292/3.6=2...(11) HG2 LYS 44 - HA LYS 64 OK 28 100 - 28 - 2282/3.0=3, 2849/4.1=2...(13) HB3 LEU 12 - HA LYS 64 OK 26 100 - 27 - 1173/3.6=3, 4.0/4022=3...(11) HB3 LYS 56 - HA LYS 64 OK 18 99 - 18 - 2.9/5423=2, 2839/3.0=1...(7) HD3 LYS 56 - HA LYS 64 poor 8 78 - 11 - 3.0/5423=2, 1.8/2824=1 QB ALA 69 - HA LYS 64 lone 8 93 - 9 - 828/4170=1, 317/1051=1 HG2 LYS 91 - HA LYS 64 lone 4 83 - 4 - HG3 LYS 91 - HA LYS 64 lone 4 83 - 4 - QB ALA 89 - HA LYS 64 lone 2 92 - 2 - Peak 4172 from cnoeabs.peaks (3.28, 1.37, 18.31 ppm; 3.49 A): 1 out of 1 assignment used, quality = 0.66: * HA LYS 64 + QB ALA 67 OK 66 100 - 66 - 4170/2.9=23, 1051/3.7=17...(18) Peak 4173 from cnoeabs.peaks (7.98, 3.28, 60.43 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.92: * H LYS 68 + HA LYS 64 OK 89 100 - 89 - 1051=50, 3.7/4172=37...(16) H ASP 43 + HA LYS 64 OK 27 99 - 27 - 4922/4885=4, 999/4170=4...(10) Peak 4174 from cnoeabs.peaks (7.41, 3.74, 59.94 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.88: * H ALA 67 + HA LYS 65 OK 88 100 - 88 - 1040/2.9=40, 998/3.6=38...(12) Peak 4175 from cnoeabs.peaks (7.98, 3.74, 59.94 ppm; 4.15 A): 2 out of 2 assignments used, quality = 0.84: * H LYS 68 + HA LYS 65 OK 80 100 - 80 - 1050=29, 4.6/4174=17...(18) H ASP 43 + HA LYS 65 OK 23 99 - 23 - 1043/3.6=5, 4.6/4793=4...(9) Peak 4176 from cnoeabs.peaks (1.60, 3.74, 59.94 ppm; 3.46 A): 3 out of 12 assignments used, quality = 0.95: * HB2 LYS 68 + HA LYS 65 OK 66 100 - 66 - 4177=17, 4.0/4175=13...(21) HD3 LYS 65 + HA LYS 65 OK 66 78 - 84 - 4.6=42, 2.8/2912=11...(36) HD2 LYS 65 + HA LYS 65 OK 59 71 - 84 - 4.6=42, 2.8/2912=11...(36) HB2 LEU 12 - HA LYS 65 OK 39 100 - 39 - 1166/2.9=5, 4.0/2907=4...(17) HD2 LYS 14 - HA LYS 65 OK 32 85 - 38 - 1.8/2958=3, 2968=2...(21) HD3 LYS 14 - HA LYS 65 OK 31 83 - 38 - 1.8/2968=3, 2968=2...(21) HG LEU 23 - HA LYS 65 OK 16 99 - 16 - 2.1/5456=3, 3.0/2912=2...(5) HG LEU 73 - HA LYS 65 lone 8 90 - 9 - 2.1/5456=2, 3.0/2910=1 HB2 LEU 87 - HA LYS 65 lone 6 100 - 6 - 4.2/4031=2 HG LEU 87 - HA LYS 65 lone 6 99 - 6 - 4.9/4031=2 HB3 LEU 85 - HA LYS 65 lone 6 96 - 6 - 4.3/4031=1 HG LEU 85 - HA LYS 65 lone 5 100 - 5 - Peak 4177 from cnoeabs.peaks (3.74, 1.60, 32.10 ppm; 4.05 A): 3 out of 4 assignments used, quality = 0.87: * HA LYS 65 + HB2 LYS 68 OK 75 100 - 75 - 4175/4.0=18, 4179/1.8=17...(22) HB2 SER 36 + HB2 LYS 68 OK 34 89 - 38 - 4179/1.8=8, 5556/2.9=5...(13) HA2 GLY 39 + HB2 LYS 68 OK 24 87 - 27 - 4179/1.8=6, 5556/2.9=5...(8) HA2 GLY 40 - HB2 LYS 68 lone 2 57 - 4 - 1050/4.0=1 Peak 4178 from cnoeabs.peaks (1.29, 3.74, 59.94 ppm; 3.47 A): 5 out of 9 assignments used, quality = 0.92: * HB3 LYS 68 + HA LYS 65 OK 65 100 - 65 - 1.8/4177=16, 4.0/4175=13...(21) HG3 LYS 65 + HA LYS 65 OK 56 60 - 94 - 3.7=82, 1.8/2911=12...(22) HG3 LYS 17 + HA LYS 65 OK 23 78 - 29 - 2.9/2910=4, 2.9/2910=4...(16) HD3 LYS 44 + HA LYS 65 OK 21 100 - 21 - 1.8/6166=3, 4.8/4795=2...(7) HG3 LYS 56 + HA LYS 65 OK 19 95 - 20 - 2948=4, ~5453=3...(5) HB2 LYS 26 - HA LYS 65 lone 6 90 - 7 - HG3 LYS 31 - HA LYS 65 lone 4 99 - 4 - HG3 ARG 45 - HA LYS 65 lone 3 71 - 5 - QB ALA 60 - HA LYS 65 lone 3 89 - 4 - Peak 4179 from cnoeabs.peaks (3.74, 1.29, 32.10 ppm; 4.48 A): 3 out of 4 assignments used, quality = 0.93: * HA LYS 65 + HB3 LYS 68 OK 83 100 - 84 - 4177/1.8=24, 4175/4.0=22...(27) HB2 SER 36 + HB3 LYS 68 OK 40 89 - 45 - 4177/1.8=11, 5556/2.9=7...(12) HA2 GLY 39 + HB3 LYS 68 OK 28 87 - 32 - 4177/1.8=8, 5556/2.9=6...(8) HA2 GLY 40 - HB3 LYS 68 lone 3 57 - 5 - 1050/4.0=1 Peak 4180 from cnoeabs.peaks (7.52, 3.74, 59.94 ppm; 4.58 A): 3 out of 3 assignments used, quality = 0.89: * H ALA 69 + HA LYS 65 OK 75 100 - 75 - 1056=31, 4.6/4175=20...(14) H ASN 63 + HA LYS 65 OK 38 100 - 38 - 995/3.6=8, 5450/2.9=7...(13) HE22 GLN 55 + HA LYS 65 OK 30 90 - 33 - 4.5/2928=5, 5450/2.9=4...(13) Peak 4181 from cnoeabs.peaks (7.98, 3.61, 65.20 ppm; 5.14 A): 2 out of 2 assignments used, quality = 0.94: * H LYS 68 + HA VAL 66 OK 91 100 - 91 - 315/3.6=45, 1048=41...(12) H ASP 43 + HA VAL 66 OK 29 99 - 29 - 999/3.6=10, 1043/3.0=7...(5) Peak 4182 from cnoeabs.peaks (7.52, 3.61, 65.20 ppm; 3.70 A): 2 out of 3 assignments used, quality = 0.94: * H ALA 69 + HA VAL 66 OK 84 100 - 84 - 1055=41, 2.9/4184=27...(15) H ASN 63 + HA VAL 66 OK 63 100 - 63 - 5395/3.2=22, 5392/3.0=21...(11) HE22 GLN 55 - HA VAL 66 OK 26 90 - 29 - 5468/3.2=4, 5479/3.0=4...(12) Peak 4183 from cnoeabs.peaks (1.38, 3.61, 65.20 ppm; 3.01 A): 6 out of 10 assignments used, quality = 0.92: * QB ALA 69 + HA VAL 66 OK 64 100 - 64 - 4184=33, 2.9/1055=16...(13) QB ALA 67 + HA VAL 66 OK 61 93 - 66 - 5.0=22, 5507/3.2=8...(19) HB2 LYS 64 + HA VAL 66 OK 17 76 - 22 - ~1041=5, 828/3.6=3...(9) HG2 LYS 68 + HA VAL 66 OK 14 89 - 16 - 4.9/1048=6, 828/3.6=2 HB3 LYS 56 + HA VAL 66 OK 13 99 - 13 - 2.9/3000=2, 2633/3.2=2 HD3 LYS 56 + HA VAL 66 OK 13 99 - 13 - 3.0/3000=2, ~5466=1, 2673/3.2=1 HB3 LEU 12 - HA VAL 66 lone 9 98 - 9 - 4275/3.2=2, 3.1/5460=1 HG2 LYS 44 - HA VAL 66 lone 8 92 - 9 - 5465/3.2=1 HG2 LYS 31 - HA VAL 66 lone 1 76 - 1 - QB ALA 89 - HA VAL 66 lone 1 60 - 2 - Peak 4184 from cnoeabs.peaks (3.61, 1.38, 17.66 ppm; 3.28 A): 1 out of 3 assignments used, quality = 0.61: * HA VAL 66 + QB ALA 69 OK 61 100 - 61 - 1055/2.9=19, 4183=16...(13) HD3 ARG 27 - QB ALA 69 poor 8 73 - 10 - 1061/3.6=4, 1055/2.9=3 HA2 GLY 54 - QB ALA 69 lone 3 63 - 5 - 1055/2.9=2, 1061/3.6=1, ~5386=1 Peak 4185 from cnoeabs.peaks (8.33, 3.61, 65.20 ppm; 4.39 A): 4 out of 6 assignments used, quality = 0.89: * H TYR 70 + HA VAL 66 OK 75 100 - 75 - 3.6/4184=30, 1061=29...(9) H ARG 28 + HA VAL 66 OK 26 90 - 29 - 113=6, 3.6/1765=4...(10) H GLU 37 + HA VAL 66 OK 25 89 - 28 - 4.1/3003=5, 4.1/3003=4...(9) H ALA 72 + HA VAL 66 OK 17 95 - 18 - 1001/1055=5, 4056/4184=4...(4) H LEU 85 - HA VAL 66 lone 6 65 - 9 - 1013/3.0=2, 4.3/2999=1 H ALA 60 - HA VAL 66 lone 4 71 - 6 - 4252/4241=1 Peak 4186 from cnoeabs.peaks (7.52, 3.80, 55.50 ppm; 4.65 A): 3 out of 3 assignments used, quality = 0.94: * H ALA 69 + HA ALA 67 OK 84 100 - 84 - 1054/2.9=38, 318/3.6=30...(15) H ASN 63 + HA ALA 67 OK 51 100 - 51 - 1047/2.9=14, 5393/2.1=10...(14) HE22 GLN 55 + HA ALA 67 OK 26 90 - 28 - 1000/3.6=8, 1.7/5486=6...(8) Peak 4187 from cnoeabs.peaks (8.33, 3.80, 55.50 ppm; 3.65 A): 3 out of 6 assignments used, quality = 0.90: * H TYR 70 + HA ALA 67 OK 76 100 - 76 - 1060=29, 4.0/4190=15...(12) H ALA 60 + HA ALA 67 OK 47 71 - 66 - 3.0/5487=24, ~5495=15...(14) H ALA 72 + HA ALA 67 OK 22 95 - 24 - 4.6/4192=10, 1052/3.6=5...(5) H ARG 28 - HA ALA 67 lone 9 90 - 10 - 1052/3.6=2, 1003/4192=2...(4) H GLU 37 - HA ALA 67 lone 6 89 - 7 - 1052/3.6=2, 4.1/5510=1 H LEU 85 - HA ALA 67 lone 6 65 - 10 - 3.6/3541=2, 4.3/3555=2...(4) Peak 4188 from cnoeabs.peaks (2.98, 3.80, 55.50 ppm; 3.87 A): 2 out of 8 assignments used, quality = 0.82: * HB2 TYR 70 + HA ALA 67 OK 80 100 - 80 - 1.8/4190=28, 4189=26...(13) HB3 HIS 15 + HA ALA 67 OK 13 83 - 15 - 1.8/4190=7, 1315/4190=3...(5) HE3 LYS 91 - HA ALA 67 lone 4 85 - 5 - HE2 LYS 91 - HA ALA 67 lone 4 85 - 5 - HE3 LYS 31 - HA ALA 67 lone 3 92 - 4 - HE2 LYS 31 - HA ALA 67 lone 3 90 - 4 - HD2 ARG 45 - HA ALA 67 lone 1 57 - 2 - HD3 ARG 45 - HA ALA 67 lone 1 57 - 2 - Peak 4189 from cnoeabs.peaks (3.80, 2.98, 37.49 ppm; 4.10 A): 3 out of 3 assignments used, quality = 0.92: * HA ALA 67 + HB2 TYR 70 OK 85 100 - 85 - 4188=36, 4190/1.8=31...(13) HD3 PRO 19 + HB2 TYR 70 OK 32 98 - 33 - 4191/1.8=8, 4691/2.5=8...(7) HD2 PRO 84 + HB2 TYR 70 OK 22 92 - 24 - 4191/1.8=6, 4691/2.5=6...(6) Peak 4190 from cnoeabs.peaks (3.32, 3.80, 55.50 ppm; 4.10 A): 2 out of 2 assignments used, quality = 0.86: * HB3 TYR 70 + HA ALA 67 OK 83 100 - 83 - 1.8/4188=30, 4191=28...(14) HB2 HIS 15 + HA ALA 67 OK 20 99 - 21 - 1.8/4188=5, 3128/4188=4...(8) Peak 4191 from cnoeabs.peaks (3.80, 3.32, 37.49 ppm; 4.21 A): 3 out of 3 assignments used, quality = 0.93: * HA ALA 67 + HB3 TYR 70 OK 87 100 - 87 - 4190=40, 4188/1.8=31...(14) HD3 PRO 19 + HB3 TYR 70 OK 34 98 - 34 - 4189/1.8=9, 4691/2.5=9...(6) HD2 PRO 84 + HB3 TYR 70 OK 24 92 - 26 - 4189/1.8=6, 4691/2.5=6...(6) Peak 4192 from cnoeabs.peaks (8.13, 3.80, 55.50 ppm; 4.89 A): 1 out of 5 assignments used, quality = 0.78: * H ALA 71 + HA ALA 67 OK 78 100 - 78 - 1066=27, 4.4/4190=24...(11) H LEU 30 - HA ALA 67 lone 9 89 - 10 - 1002/1060=2, 4059/4190=2...(4) H ALA 89 - HA ALA 67 lone 6 83 - 7 - H ARG 27 - HA ALA 67 lone 4 57 - 8 - 4.6/4187=2, 1002/1060=1...(4) H MET 11 - HA ALA 67 lone 3 68 - 5 - Peak 4193 from cnoeabs.peaks (8.33, 3.54, 60.08 ppm; 4.82 A): 2 out of 6 assignments used, quality = 0.98: * H TYR 70 + HA LYS 68 OK 89 100 - 89 - 1058=50, 4.6/1065=30...(13) H ALA 72 + HA LYS 68 OK 85 95 - 90 - 1071=47, 3.7/4196=38...(13) H ARG 28 - HA LYS 68 OK 29 90 - 32 - 1003/1065=5, 4063/4196=4...(12) H ALA 60 - HA LYS 68 OK 17 71 - 24 - 331/1065=3, 1052/3.0=3...(10) H GLU 37 - HA LYS 68 OK 15 89 - 17 - 4.9/4878=5, 1052/3.0=3...(5) H LEU 85 - HA LYS 68 poor 10 65 - 15 - 1052/3.0=3, 4.0/3025=2...(5) Peak 4194 from cnoeabs.peaks (8.13, 3.54, 60.08 ppm; 4.21 A): 4 out of 5 assignments used, quality = 0.93: * H ALA 71 + HA LYS 68 OK 89 100 - 89 - 1065=50, 2.9/4196=37...(11) H LEU 30 + HA LYS 68 OK 18 89 - 20 - 1057/3.6=4, 5572/4.4=4...(6) H ARG 27 + HA LYS 68 OK 14 57 - 24 - 4.3/3026=4, 4.3/4195=3...(9) H ALA 89 + HA LYS 68 OK 10 83 - 12 - 1057/3.6=2, 6026/3.0=2 H MET 11 - HA LYS 68 lone 6 68 - 9 - 5.0/5538=2, 6.2/5540=1 Peak 4195 from cnoeabs.peaks (1.52, 3.54, 60.08 ppm; 3.42 A): 4 out of 16 assignments used, quality = 0.93: * QB ALA 71 + HA LYS 68 OK 78 100 - 78 - 4196=47, 2.9/1065=24...(11) HB3 LYS 26 + HA LYS 68 OK 38 100 - 38 - 1.8/3026=5, 1690/3.0=5...(18) QB ALA 72 + HA LYS 68 OK 31 65 - 47 - 4.2/4196=18, 2.9/1071=17...(11) HB2 LYS 56 + HA LYS 68 OK 23 85 - 27 - 2.9/3026=3, 1.8/3027=3...(9) HD2 LYS 56 - HA LYS 68 OK 21 96 - 22 - 3.0/3026=3, 3.4/3027=2...(6) HG LEU 34 - HA LYS 68 OK 20 100 - 20 - 2.1/3029=2, 2095/5.2=2...(7) HD3 LYS 64 - HA LYS 68 OK 16 100 - 16 - 5439/4886=3, 3.8/3027=2...(5) HD3 LYS 17 - HA LYS 68 OK 16 97 - 16 - 3.0/3026=2, 3.0/3030=1 HD2 LYS 17 - HA LYS 68 OK 16 97 - 16 - 3.0/3026=2, 3.0/3030=1 HB3 LYS 44 - HA LYS 68 OK 14 81 - 17 - 3.7/3026=2, ~5534=2...(5) HG3 ARG 27 - HA LYS 68 OK 13 100 - 13 - 5.0/4197=1, 2.9/5540=1...(7) HB2 LEU 85 - HA LYS 68 OK 11 99 - 11 - ~5959=3, 1.8/3025=1, 3.0/3025=1 HG2 GLU 37 - HA LYS 68 OK 11 87 - 13 - 1.8/4878=5 HB3 LEU 87 - HA LYS 68 OK 10 96 - 10 - ~5959=3, 1.8/3025=1, 3.0/3025=1 HG LEU 30 - HA LYS 68 lone 7 83 - 8 - 5.1/4194=2, 1897/1065=1 HB2 ARG 45 - HA LYS 68 lone 2 97 - 2 - Peak 4196 from cnoeabs.peaks (3.54, 1.52, 16.95 ppm; 3.50 A): 1 out of 1 assignment used, quality = 0.66: * HA LYS 68 + QB ALA 71 OK 66 100 - 66 - 1065/2.9=25, 1071/3.7=15...(12) Peak 4197 from cnoeabs.peaks (8.35, 3.54, 60.08 ppm; 4.64 A): 2 out of 7 assignments used, quality = 0.98: * H ALA 72 + HA LYS 68 OK 89 100 - 89 - 1071=48, 3.7/4196=36...(13) H TYR 70 + HA LYS 68 OK 81 95 - 86 - 1058=44, 4.6/1065=28...(12) H ARG 28 - HA LYS 68 OK 31 100 - 32 - 1003/1065=5, 4063/4196=5...(12) H GLU 37 - HA LYS 68 poor 9 57 - 15 - 4.9/4878=5, 1052/3.0=3...(4) H GLY 40 - HA LYS 68 poor 8 63 - 13 - 4790/3.0=8 H GLY 39 - HA LYS 68 poor 8 63 - 12 - ~4177=3, ~1050=3, ~4179=3 H ASN 90 - HA LYS 68 lone 4 60 - 6 - 4.6/4194=2 Peak 4198 from cnoeabs.peaks (8.13, 3.87, 55.25 ppm; 5.79 A): 4 out of 5 assignments used, quality = 0.93: * H ALA 71 + HA ALA 69 OK 84 100 - 84 - 1002/3.6=29, 1057/3.0=27...(12) H LEU 30 + HA ALA 69 OK 42 89 - 47 - 4.6/4202=13, 5572/2.1=9...(9) H ALA 89 + HA ALA 69 OK 15 83 - 18 - 5572/2.1=5, 1057/3.0=4 H ARG 27 + HA ALA 69 OK 14 57 - 24 - 1002/3.6=5, 4.6/4199=5...(8) H MET 11 - HA ALA 69 poor 9 68 - 13 - 5572/2.1=3, 1002/3.6=2...(4) Peak 4199 from cnoeabs.peaks (8.35, 3.87, 55.25 ppm; 4.11 A): 2 out of 7 assignments used, quality = 0.98: H TYR 70 + HA ALA 69 OK 95 95 - 100 - 3.6=100 * H ALA 72 + HA ALA 69 OK 65 100 - 65 - 1070=20, 2.9/4201=15...(12) H ARG 28 - HA ALA 69 OK 25 100 - 25 - 4.7/4202=6, 1001/3.0=3...(8) H GLU 37 - HA ALA 69 lone 5 57 - 8 - 1001/3.0=2, 4056/2.1=2 H GLY 40 - HA ALA 69 lone 3 63 - 4 - H ASN 90 - HA ALA 69 lone 2 60 - 4 - 4.6/4198=1 H GLY 39 - HA ALA 69 lone 2 63 - 3 - ~1056=2 Peak 4200 from cnoeabs.peaks (1.49, 3.87, 55.25 ppm; 3.55 A): 4 out of 12 assignments used, quality = 0.80: * QB ALA 72 + HA ALA 69 OK 57 100 - 57 - 4201=21, 2.9/1070=10...(13) QB ALA 71 + HA ALA 69 OK 29 65 - 45 - 3.7/1070=8, 4.2/4201=8...(10) HB2 LYS 56 + HA ALA 69 OK 19 99 - 19 - 1.8/3115=3, 2622/2.1=2...(7) HG LEU 79 + HA ALA 69 OK 18 87 - 21 - ~5869=4, 2.1/5575=4...(7) HB3 LYS 26 - HA ALA 69 poor 8 71 - 11 - ~321=2, 5580/3.0=1, 2.9/5575=1 HG2 GLU 37 - HA ALA 69 lone 7 98 - 7 - 3.0/5576=1 HG3 ARG 27 - HA ALA 69 lone 7 71 - 10 - 5.0/4199=2, 5588/3.6=2...(5) HD3 LYS 17 - HA ALA 69 lone 6 90 - 7 - 6.1/6190=1 HD2 LYS 17 - HA ALA 69 lone 6 90 - 7 - 6.1/6190=1 HG LEU 34 - HA ALA 69 lone 3 78 - 4 - HB2 LEU 85 - HA ALA 69 lone 3 83 - 4 - HB2 ARG 45 - HA ALA 69 lone 2 90 - 2 - Peak 4201 from cnoeabs.peaks (3.87, 1.49, 17.66 ppm; 3.35 A): 4 out of 4 assignments used, quality = 0.79: * HA ALA 69 + QB ALA 72 OK 51 100 - 51 - 4200=15, 1070/2.9=9...(13) HA3 GLY 29 + QB ALA 72 OK 35 100 - 35 - 3.0/4065=8, 1070/2.9=7...(8) HA GLU 22 + QB ALA 72 OK 21 81 - 26 - 3.6/4467=3, 6122=3...(11) HA GLU 77 + QB ALA 72 OK 17 100 - 17 - 1076/3.6=4, 1070/2.9=3...(5) Peak 4202 from cnoeabs.peaks (8.57, 3.87, 55.25 ppm; 5.05 A): 2 out of 2 assignments used, quality = 0.77: * H LEU 73 + HA ALA 69 OK 62 100 - 62 - 3.6/4201=18, 1076=17...(10) H GLY 29 + HA ALA 69 OK 40 97 - 42 - 114/3.6=8, 631=7...(13) Peak 4203 from cnoeabs.peaks (8.35, 4.40, 61.49 ppm; 3.63 A): 3 out of 7 assignments used, quality = 0.99: H TYR 70 + HA TYR 70 OK 95 95 - 100 - 3.0=100 H ARG 28 + HA TYR 70 OK 63 100 - 63 - 622=14, 4.7/4204=7...(25) * H ALA 72 + HA TYR 70 OK 60 100 - 60 - 337/3.6=16, 4.6/4204=9...(17) H GLU 37 - HA TYR 70 lone 3 57 - 5 - H ASN 90 - HA TYR 70 lone 2 60 - 4 - 4.6/4057=1 H GLY 39 - HA TYR 70 lone 1 63 - 2 - H GLY 40 - HA TYR 70 lone 1 63 - 1 - Peak 4204 from cnoeabs.peaks (8.57, 4.40, 61.49 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.91: * H LEU 73 + HA TYR 70 OK 76 100 - 76 - 1075=21, 4.6/4209=18...(13) H GLY 29 + HA TYR 70 OK 63 97 - 65 - 115=13, 1067/3.6=13...(21) Peak 4205 from cnoeabs.peaks (1.75, 4.40, 61.49 ppm; 3.40 A): 5 out of 8 assignments used, quality = 0.94: * HB2 LEU 73 + HA TYR 70 OK 69 100 - 69 - 4206=16, 1.8/4208=13...(19) HB3 ARG 28 + HA TYR 70 OK 54 95 - 58 - 1831=7, 4.6/4204=6...(27) HB2 ARG 27 + HA TYR 70 OK 27 78 - 35 - 4.2/622=5, 4.0/4556=4...(15) QB ALA 74 + HA TYR 70 OK 26 78 - 33 - 2.9/4209=16, 4213/4.9=3...(8) QE MET 11 + HA TYR 70 OK 26 92 - 28 - 4246/3.7=10, 4252/3.0=6...(6) HB3 GLN 55 - HA TYR 70 OK 22 100 - 22 - 2586=4, 4.5/3123=3...(8) HB3 MET 48 - HA TYR 70 OK 11 100 - 11 - 4908/5.7=2, 4693/3.7=1 HB3 LYS 65 - HA TYR 70 lone 3 87 - 4 - Peak 4206 from cnoeabs.peaks (4.40, 1.75, 42.30 ppm; 3.72 A): 4 out of 4 assignments used, quality = 0.95: * HA TYR 70 + HB2 LEU 73 OK 75 100 - 75 - 4208/1.8=16, 4209/4.4=15...(22) HA ARG 28 + HB2 LEU 73 OK 64 98 - 66 - 4208/1.8=13, 3.6/3168=10...(25) HA GLN 55 + HB2 LEU 73 OK 28 83 - 33 - 2572=5, 4208/1.8=4...(14) HA PRO 81 + HB2 LEU 73 OK 18 90 - 19 - 4208/1.8=4, 1075/3.9=2...(6) Peak 4207 from cnoeabs.peaks (1.67, 4.40, 61.49 ppm; 3.50 A): 3 out of 12 assignments used, quality = 0.94: * HB3 LEU 73 + HA TYR 70 OK 71 100 - 72 - 4208=17, 1.8/4206=13...(19) HG3 ARG 28 + HA TYR 70 OK 54 98 - 56 - 1847=7, 3.0/4205=6...(23) HG2 ARG 28 + HA TYR 70 OK 54 97 - 56 - 1847=7, 3.0/4205=6...(23) HB3 ARG 27 - HA TYR 70 OK 23 65 - 35 - 4.2/622=6, 4.0/4556=5...(14) HB2 LEU 30 - HA TYR 70 OK 19 83 - 23 - 3.1/5607=4, 4.0/4057=4...(8) HD3 LYS 31 - HA TYR 70 OK 11 100 - 11 - 3.0/3121=2, 3.0/3121=2 HD2 LYS 31 - HA TYR 70 OK 11 100 - 11 - 3.0/3121=2, 3.0/3121=2 HB3 GLU 51 - HA TYR 70 lone 7 96 - 7 - 5088/3.0=2 HB3 LYS 31 - HA TYR 70 lone 5 60 - 8 - HB3 LYS 91 - HA TYR 70 lone 5 90 - 5 - HB2 LYS 14 - HA TYR 70 lone 3 71 - 4 - ~5600=1 HB3 LYS 14 - HA TYR 70 lone 3 71 - 4 - ~5600=1 Peak 4208 from cnoeabs.peaks (4.40, 1.67, 42.30 ppm; 3.77 A): 4 out of 4 assignments used, quality = 0.94: * HA TYR 70 + HB3 LEU 73 OK 75 100 - 75 - 4209/4.4=15, 4206/1.8=15...(20) HA ARG 28 + HB3 LEU 73 OK 62 98 - 63 - 4206/1.8=13, 3.6/3175=10...(21) HA GLN 55 + HB3 LEU 73 OK 19 83 - 23 - 4206/1.8=6, 3.0/3177=2...(8) HA PRO 81 + HB3 LEU 73 OK 18 90 - 20 - 4206/1.8=4, 1075/3.9=2...(7) Peak 4209 from cnoeabs.peaks (7.80, 4.40, 61.49 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.81: * H ALA 74 + HA TYR 70 OK 81 100 - 81 - 4211/4.9=26, 1081=22...(19) Peak 4210 from cnoeabs.peaks (8.57, 3.97, 55.37 ppm; 5.19 A): 2 out of 2 assignments used, quality = 0.96: * H LEU 73 + HA ALA 71 OK 85 100 - 85 - 4.6/4211=33, 1004/3.6=27...(15) H GLY 29 + HA ALA 71 OK 75 97 - 78 - 1067/3.0=21, 5622/2.1=20...(15) Peak 4211 from cnoeabs.peaks (7.80, 3.97, 55.37 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.74: * H ALA 74 + HA ALA 71 OK 74 100 - 74 - 1072/3.6=23, 1080=16...(16) Peak 4212 from cnoeabs.peaks (1.77, 3.97, 55.37 ppm; 3.33 A): 7 out of 14 assignments used, quality = 0.94: * QB ALA 74 + HA ALA 71 OK 60 100 - 60 - 2.9/4211=21, 4213=13...(14) HB2 ARG 27 + HA ALA 71 OK 41 100 - 41 - 1766/3.0=5, 4.2/4062=4...(15) HB3 ARG 28 + HA ALA 71 OK 33 98 - 34 - 4.6/5641=8, 4.0/4062=4...(12) HB2 ARG 28 + HA ALA 71 OK 32 97 - 33 - 4.6/5641=8, 4.0/4062=4...(12) HB2 LEU 73 + HA ALA 71 OK 27 78 - 35 - 4.4/4211=14, 3.9/4210=6...(8) HB2 MET 48 + HA ALA 71 OK 17 87 - 19 - ~5659=3, ~5653=3...(7) HB3 MET 48 + HA ALA 71 OK 12 73 - 16 - 5659/2.1=3, ~5653=3...(6) QE MET 11 - HA ALA 71 lone 9 99 - 9 - 4252/3.6=2, 5646/3.0=2 HB3 GLN 55 - HA ALA 71 poor 8 68 - 12 - 5659/2.1=2, 3.0/5650=1, ~5651=1 HB2 LYS 31 - HA ALA 71 lone 5 97 - 6 - HG3 GLU 37 - HA ALA 71 lone 5 96 - 6 - HD3 LYS 78 - HA ALA 71 lone 5 99 - 5 - HB2 LYS 65 - HA ALA 71 lone 3 96 - 3 - HB2 LYS 91 - HA ALA 71 lone 2 89 - 2 - Peak 4213 from cnoeabs.peaks (3.97, 1.77, 17.66 ppm; 3.39 A): 4 out of 7 assignments used, quality = 0.95: HA ALA 72 + QB ALA 74 OK 63 100 - 64 - 4215/2.9=13, 4216/3.4=10...(19) * HA ALA 71 + QB ALA 74 OK 61 100 - 61 - 4211/2.9=22, 4212=12...(15) HA LEU 76 + QB ALA 74 OK 41 68 - 60 - ~1089=8, ~1082=6...(18) HA GLU 25 + QB ALA 74 OK 37 99 - 38 - 1638/3.4=7, 3.0/4073=7...(14) HA PRO 19 - QB ALA 74 lone 6 81 - 8 - 4365/4.5=3, 1086/3.4=1 HA3 GLY 16 - QB ALA 74 lone 6 99 - 6 - HB3 SER 62 - QB ALA 74 lone 1 76 - 1 - Peak 4214 from cnoeabs.peaks (7.36, 3.97, 55.37 ppm; 4.75 A): 3 out of 3 assignments used, quality = 0.89: * H ALA 75 + HA ALA 71 OK 76 100 - 76 - 4.6/4211=28, 5686/3.6=15...(20) H GLU 25 + HA ALA 71 OK 43 100 - 44 - 5686/3.6=9, 598=6...(14) QE PHE 46 + HA ALA 71 OK 23 89 - 25 - ~336=4, 336/3.0=4...(9) Peak 4215 from cnoeabs.peaks (7.80, 3.96, 54.32 ppm; 5.26 A): 1 out of 1 assignment used, quality = 0.94: * H ALA 74 + HA ALA 72 OK 94 100 - 94 - 1005/3.6=45, 1072/2.9=42...(18) Peak 4216 from cnoeabs.peaks (7.36, 3.96, 54.32 ppm; 4.08 A): 3 out of 3 assignments used, quality = 0.92: * H ALA 75 + HA ALA 72 OK 82 100 - 82 - 1084/3.6=23, 4.6/4215=16...(20) H GLU 25 + HA ALA 72 OK 48 100 - 48 - 598=8, 5686/2.9=7...(17) QE PHE 46 + HA ALA 72 OK 17 89 - 19 - 1077/3.6=4, 5686/2.9=3...(6) Peak 4217 from cnoeabs.peaks (0.87, 3.96, 54.32 ppm; 3.22 A): 6 out of 11 assignments used, quality = 0.88: * QB ALA 75 + HA ALA 72 OK 57 100 - 57 - 4218=12, 2.9/4216=10...(16) QD1 LEU 76 + HA ALA 72 OK 46 96 - 48 - 2.1/5670=11, 3244=8...(15) HD2 LYS 26 + HA ALA 72 OK 18 85 - 21 - ~5673=3, ~5668=2...(10) QD2 LEU 30 + HA ALA 72 OK 16 100 - 16 - 4586/5671=5, ~5673=2...(4) QD2 LEU 73 + HA ALA 72 OK 16 60 - 27 - 4.6/4215=9, 4.4/341=6...(7) HD3 LYS 26 + HA ALA 72 OK 10 60 - 17 - 5673/2.1=2, 3.6/4522=2...(7) HB3 LEU 30 - HA ALA 72 poor 8 60 - 14 - 4582/5671=3, 4590/5690=2...(5) QD2 LEU 87 - HA ALA 72 lone 5 71 - 8 - ~5673=1, 860/3.6=1 QD1 LEU 85 - HA ALA 72 lone 5 81 - 7 - QD1 LEU 87 - HA ALA 72 lone 5 73 - 6 - QG2 VAL 47 - HA ALA 72 lone 1 63 - 2 - Peak 4218 from cnoeabs.peaks (3.96, 0.87, 19.18 ppm; 3.38 A): 4 out of 8 assignments used, quality = 0.94: * HA ALA 72 + QB ALA 75 OK 62 100 - 62 - 4217=15, 4216/2.9=12...(16) HA LEU 76 + QB ALA 75 OK 59 81 - 74 - 5.0=31, 3.0/4075=18...(16) HA ALA 71 + QB ALA 75 OK 37 100 - 37 - 4214/2.9=9, 4211/5743=6...(12) HA GLU 25 + QB ALA 75 OK 34 97 - 36 - 1638/2.9=8, 3.0/3212=7...(11) HA PRO 19 - QB ALA 75 OK 15 68 - 21 - 4365=6, 2.3/4371=3...(7) HA LEU 23 - QB ALA 75 OK 11 57 - 20 - 868/3.6=3, ~1030=3...(8) HA3 GLY 16 - QB ALA 75 lone 4 97 - 4 - HB3 SER 62 - QB ALA 75 lone 1 63 - 1 - Peak 4219 from cnoeabs.peaks (8.54, 3.96, 54.32 ppm; 4.37 A): 3 out of 3 assignments used, quality = 0.74: * H LEU 76 + HA ALA 72 OK 65 100 - 65 - 4.6/4216=13, 1091=12...(16) H ASP 82 + HA ALA 72 OK 17 100 - 17 - 3.9/5679=2, 1082/4215=2...(7) H GLY 61 + HA ALA 72 OK 11 97 - 11 - 1082/4215=2, 1007/4216=2 Peak 4220 from cnoeabs.peaks (7.36, 3.91, 57.61 ppm; 4.77 A): 4 out of 6 assignments used, quality = 0.99: * H ALA 75 + HA LEU 73 OK 88 100 - 88 - 350/3.6=43, 1084/3.0=32...(21) H GLU 25 + HA LEU 23 OK 62 79 - 78 - 84/3.6=38, 1036/3.0=24...(13) H GLU 25 + HA LEU 73 OK 52 100 - 52 - 1006/3.6=11, 1077/3.0=10...(15) H ALA 75 + HA LEU 23 OK 48 80 - 60 - 1030/3.0=11, 962/3.6=10...(18) QE PHE 46 - HA LEU 73 OK 25 89 - 28 - 1077/3.0=5, 1006/3.6=4...(10) QE PHE 46 - HA LEU 23 OK 10 65 - 16 - 962/3.6=3, 4631/4.8=3 Peak 4221 from cnoeabs.peaks (8.54, 3.91, 57.61 ppm; 3.56 A): 2 out of 6 assignments used, quality = 0.68: * H LEU 76 + HA LEU 73 OK 49 100 - 49 - 1082/3.6=16, 1090=14...(11) H LEU 76 + HA LEU 23 OK 37 80 - 46 - 1090=11, 4482/3.9=8...(14) H ASP 82 - HA LEU 73 lone 9 100 - 9 - 1082/3.6=4 H GLY 61 - HA LEU 73 lone 8 97 - 8 - 1082/3.6=3, 5373/3.9=1 H ASP 82 - HA LEU 23 lone 7 80 - 8 - 4482/3.9=2 H GLY 61 - HA LEU 23 lone 5 75 - 6 - 4482/3.9=1 Peak 4222 from cnoeabs.peaks (1.95, 3.91, 57.61 ppm; 3.23 A): 7 out of 30 assignments used, quality = 0.90: HB2 LEU 76 + HA LEU 23 OK 44 80 - 56 - 4223=10, 1.8/4225=8...(24) * HB2 LEU 76 + HA LEU 73 OK 36 100 - 36 - 4223=8, 4.0/4221=7...(8) HG2 PRO 19 + HA LEU 73 OK 28 93 - 31 - ~4348=5, ~4343=4...(15) HB3 GLU 22 + HA LEU 23 OK 26 80 - 33 - 3849/3.0=9, ~3848=7...(6) HB VAL 20 + HA LEU 23 OK 26 77 - 33 - ~4149=5, ~1028=5...(12) HB2 GLU 77 + HA LEU 73 OK 18 95 - 19 - 4.0/1096=4, 6148/3.9=2...(9) HB3 GLU 22 + HA LEU 73 OK 15 100 - 15 - 4.6/585=2, 1.8/1555=2...(5) HB2 GLU 77 - HA LEU 23 poor 9 71 - 13 - 3849/3.0=3, 4.0/1096=3...(5) HB3 PRO 81 - HA LEU 73 poor 8 73 - 11 - 3.9/4221=1, ~1075=1, ~4208=1 HG3 PRO 84 - HA LEU 73 lone 8 100 - 8 - ~6138=1, 6148/3.9=1 QE MET 48 - HA LEU 73 lone 7 92 - 8 - 2447/3.0=2, 4868/3.9=1 HG3 GLU 49 - HA LEU 23 poor 7 61 - 12 - ~4975=1, ~1594=1, ~586=1...(7) HB2 GLU 51 - HA LEU 73 lone 7 78 - 9 - ~5089=3, 1.8/3164=1 HD2 LYS 78 - HA LEU 23 poor 7 49 - 14 - 2.9/4224=2, 5817/3.9=2...(4) HB3 PRO 81 - HA LEU 23 poor 6 52 - 11 - ~1028=2, ~4153=2, ~4151=2 HG3 PRO 81 - HA LEU 23 poor 5 47 - 11 - ~1028=3, ~4153=3...(5) QE MET 48 - HA LEU 23 lone 5 68 - 7 - 4868/3.9=2 HB2 GLU 33 - HA LEU 23 lone 4 80 - 5 - HG2 PRO 19 - HA LEU 23 lone 4 70 - 6 - 74/3.0=2, ~73=1 HB2 GLU 33 - HA LEU 73 lone 4 100 - 4 - 4654/3.9=1 HB2 GLN 58 - HA LEU 73 lone 4 92 - 4 - HG3 PRO 81 - HA LEU 73 lone 4 68 - 5 - HG3 PRO 84 - HA LEU 23 lone 4 80 - 4 - HD2 LYS 78 - HA LEU 73 lone 4 71 - 5 - 2.9/4224=1, 5817/3.9=1 HB VAL 47 - HA LEU 73 lone 3 92 - 3 - HB VAL 20 - HA LEU 73 lone 3 99 - 3 - 4.0/4386=1 HG3 GLU 49 - HA LEU 73 lone 2 85 - 2 - HB2 GLU 51 - HA LEU 23 lone 2 56 - 3 - HB VAL 47 - HA LEU 23 lone 1 68 - 2 - HB2 GLN 58 - HA LEU 23 lone 1 68 - 2 - Peak 4223 from cnoeabs.peaks (3.91, 1.95, 41.92 ppm; 3.59 A): 4 out of 4 assignments used, quality = 0.93: HA LEU 76 + HB2 LEU 76 OK 63 63 - 100 - 2.9=100 HA LEU 23 + HB2 LEU 76 OK 51 85 - 60 - 4225/1.8=10, 4222=7...(24) * HA LEU 73 + HB2 LEU 76 OK 40 100 - 40 - 4221/4.0=9, 4225/1.8=8...(12) HA GLU 22 + HB2 LEU 76 OK 33 76 - 44 - 4225/1.8=6, 1551=4...(19) Peak 4224 from cnoeabs.peaks (1.46, 3.91, 57.61 ppm; 3.65 A): 6 out of 16 assignments used, quality = 0.89: HB3 LEU 76 + HA LEU 23 OK 52 80 - 65 - 4225=14, 1.8/4223=10...(21) * HB3 LEU 76 + HA LEU 73 OK 42 100 - 42 - 4225=10, 4.0/4221=9...(12) HG LEU 79 + HA LEU 23 OK 36 71 - 50 - 4467/3.0=6, 3404/3.9=5...(20) HG3 LYS 78 + HA LEU 23 OK 19 78 - 25 - 5815/3.9=5, 4467/3.0=2...(9) HG3 LYS 78 + HA LEU 73 OK 14 99 - 14 - 5815/3.9=3, ~6138=1, ~6140=1 HG LEU 79 + HA LEU 73 OK 10 95 - 11 - 2.1/3166=1, 3404/3.9=1 HG2 LYS 65 - HA LEU 23 poor 9 65 - 13 - 2942/3.0=2, 1.8/1581=1...(5) HG LEU 12 - HA LEU 23 poor 8 80 - 10 - 4467/3.0=2, 1181/4.8=1 HD2 LYS 64 - HA LEU 23 lone 5 77 - 7 - HG2 LYS 65 - HA LEU 73 lone 5 89 - 5 - HG LEU 12 - HA LEU 73 lone 4 100 - 4 - HD2 LYS 64 - HA LEU 73 lone 3 99 - 4 - HB3 LYS 64 - HA LEU 23 lone 2 56 - 4 - HB3 LYS 64 - HA LEU 73 lone 2 78 - 3 - HB3 ARG 45 - HA LEU 23 lone 1 76 - 2 - HB3 ARG 45 - HA LEU 73 lone 1 98 - 1 - Peak 4225 from cnoeabs.peaks (3.91, 1.46, 41.92 ppm; 3.71 A): 4 out of 4 assignments used, quality = 0.93: HA LEU 76 + HB3 LEU 76 OK 63 63 - 100 - 2.9=100 HA LEU 23 + HB3 LEU 76 OK 54 85 - 64 - 4224=12, 4223/1.8=10...(23) * HA LEU 73 + HB3 LEU 76 OK 42 100 - 42 - 4224=10, 4221/4.0=9...(11) HA GLU 22 + HB3 LEU 76 OK 31 76 - 40 - 4223/1.8=7, 3.6/4467=6...(17) Peak 4226 from cnoeabs.peaks (8.26, 3.91, 57.61 ppm; 4.45 A): 7 out of 12 assignments used, quality = 0.87: * H GLU 77 + HA LEU 73 OK 58 100 - 58 - 5796/3.6=18, 1096=13...(11) H GLU 77 + HA LEU 23 OK 36 80 - 45 - 4.6/4221=9, 1096=9...(12) H VAL 66 + HA LEU 73 OK 17 100 - 17 - 5705/3.9=4, 303/3.0=3...(5) H ASP 88 + HA LEU 73 OK 16 95 - 17 - 5705/3.9=3, 4.8/3167=2...(6) H ASP 88 + HA LEU 23 OK 14 71 - 19 - 71/3.0=4, 1032/3.6=3...(5) H ALA 86 + HA LEU 73 OK 12 95 - 13 - 410/3.9=2, 5705/3.9=2, 408/3.7=1 H VAL 66 + HA LEU 23 OK 10 80 - 13 - 305/3.0=2, 71/3.0=1 H ALA 86 - HA LEU 23 poor 9 71 - 13 - 71/3.0=2, 1032/3.6=1, 409/3.9=1 H GLY 16 - HA LEU 73 lone 4 65 - 6 - 5737/3.6=2, 5705/3.9=1 H LYS 64 - HA LEU 73 lone 4 63 - 6 - 5737/3.6=1 H LYS 64 - HA LEU 23 lone 3 43 - 8 - 285/4.8=2 H GLY 16 - HA LEU 23 lone 2 45 - 5 - ~1029=1 Peak 4227 from cnoeabs.peaks (8.54, 4.15, 54.74 ppm; 4.95 A): 3 out of 3 assignments used, quality = 0.94: * H LEU 76 + HA ALA 74 OK 89 100 - 89 - 1089/2.9=34, 1007/3.6=29...(22) H ASP 82 + HA ALA 74 OK 32 100 - 32 - 1082/2.9=8, 1007/3.6=7...(9) H GLY 61 + HA ALA 74 OK 23 97 - 23 - 1007/3.6=7, 1082/2.9=6...(5) Peak 4228 from cnoeabs.peaks (8.26, 4.15, 54.74 ppm; 4.33 A): 4 out of 6 assignments used, quality = 0.89: * H GLU 77 + HA ALA 74 OK 82 100 - 82 - 1095=28, 5796/2.9=18...(16) H VAL 66 + HA ALA 74 OK 19 100 - 20 - 5732/2.1=5, 1087/3.6=4...(6) H ASP 88 + HA ALA 74 OK 18 95 - 19 - 5732/2.1=4, 1087/3.6=3...(5) H ALA 86 + HA ALA 74 OK 12 95 - 13 - 1087/3.6=3, 5732/2.1=3 H GLY 16 - HA ALA 74 lone 6 65 - 9 - 5737/2.9=2, 5732/2.1=1 H LYS 64 - HA ALA 74 lone 6 63 - 9 - 1087/3.6=2, 5732/2.1=2 Peak 4229 from cnoeabs.peaks (1.96, 4.15, 54.74 ppm; 3.87 A): 4 out of 15 assignments used, quality = 0.87: * HB2 GLU 77 + HA ALA 74 OK 61 100 - 61 - 4230=14, 1.8/4232=13...(8) HB2 LEU 76 + HA ALA 74 OK 46 95 - 49 - 4.6/1095=11, 4.0/4227=10...(12) HB3 GLU 22 + HA ALA 74 OK 25 90 - 27 - 3.0/4448=6, 4230=5...(7) HB3 PRO 81 + HA ALA 74 OK 16 97 - 16 - 3.9/4227=4, 3.0/5724=3...(6) HB2 GLU 33 - HA ALA 74 lone 8 90 - 9 - 3.0/5722=2, 2048/5722=1 HB VAL 20 - HA ALA 74 lone 8 81 - 10 - 4.4/572=4, ~5719=1 HB2 PRO 19 - HA ALA 74 lone 4 81 - 5 - HG2 PRO 19 - HA ALA 74 lone 4 100 - 4 - QE MET 48 - HA ALA 74 lone 4 63 - 6 - HB3 PRO 19 - HA ALA 74 lone 3 71 - 5 - HG3 PRO 84 - HA ALA 74 lone 3 97 - 3 - HB2 GLU 51 - HA ALA 74 lone 3 98 - 3 - HB2 GLN 58 - HA ALA 74 lone 3 100 - 3 - HE3 LYS 68 - HA ALA 74 lone 2 63 - 3 - HB VAL 47 - HA ALA 74 lone 2 63 - 3 - Peak 4230 from cnoeabs.peaks (4.15, 1.96, 29.43 ppm; 4.01 A): 4 out of 6 assignments used, quality = 0.95: HA MET 21 + HB2 GLU 77 OK 66 100 - 67 - 4232/1.8=14, 1511/3.0=10...(21) * HA ALA 74 + HB2 GLU 77 OK 65 100 - 65 - 4229=16, 4232/1.8=14...(8) HA MET 21 + HB3 GLU 22 OK 41 84 - 49 - 4448/3.0=10, 3.6/1560=9...(14) HA ALA 74 + HB3 GLU 22 OK 25 86 - 29 - 4229=6, 4448/3.0=6...(7) HB THR 83 - HB2 GLU 77 lone 7 71 - 10 - 1095/4.0=2, 4232/1.8=1...(5) HB THR 83 - HB3 GLU 22 poor 6 54 - 12 - 4448/3.0=3, 65/4.0=2...(4) Peak 4231 from cnoeabs.peaks (2.07, 4.15, 54.74 ppm; 3.75 A): 4 out of 8 assignments used, quality = 0.95: HA ALA 75 + HA ALA 74 OK 64 92 - 69 - ~350=13, ~5743=12...(16) * HB3 GLU 77 + HA ALA 74 OK 61 100 - 61 - 4232=15, 4.0/1095=12...(9) HB2 MET 21 + HA ALA 74 OK 45 98 - 46 - 1514=12, 1.8/1521=9...(11) QE MET 21 + HA ALA 74 OK 30 97 - 31 - 3.4/1535=7, 1542=6...(7) HB3 GLU 25 - HA ALA 74 OK 24 63 - 38 - 4.1/1038=8, 3.0/5722=7...(12) HG2 GLU 22 - HA ALA 74 OK 22 100 - 22 - 4.0/4448=4, 5.0/1026=4...(5) HG3 GLU 33 - HA ALA 74 lone 9 99 - 9 - 1.8/5722=2, 3.0/4229=1 HG3 GLN 55 - HA ALA 74 poor 7 60 - 11 - 865/3.6=2, 2604/2.1=1 Peak 4232 from cnoeabs.peaks (4.15, 2.07, 29.43 ppm; 3.95 A): 4 out of 6 assignments used, quality = 0.92: HA MET 21 + HB3 GLU 77 OK 64 100 - 65 - 4230/1.8=12, 1511/3.0=10...(20) * HA ALA 74 + HB3 GLU 77 OK 63 100 - 63 - 1095/4.0=13, 4229/1.8=12...(9) HA ALA 74 + HB3 GLU 25 OK 25 62 - 40 - 1038/4.1=9, 5722/3.0=7...(12) HA MET 21 + HB3 GLU 25 OK 16 61 - 26 - 1038/4.1=9, 1511/3.0=5...(8) HB THR 83 - HB3 GLU 77 lone 6 71 - 9 - 1095/4.0=2, 4230/1.8=1...(5) HB THR 83 - HB3 GLU 25 lone 1 37 - 3 - 1038/4.1=1 Peak 4233 from cnoeabs.peaks (7.20, 4.15, 54.74 ppm; 4.51 A): 3 out of 3 assignments used, quality = 0.90: * H LYS 78 + HA ALA 74 OK 70 100 - 70 - 1100=27, 4.6/1095=15...(12) QE PHE 57 + HA ALA 74 OK 50 95 - 52 - ~5730=20, ~4669=9...(11) QD PHE 80 + HA ALA 74 OK 35 100 - 35 - 4704/2.1=5, 5738/3.6=4...(10) Peak 4234 from cnoeabs.peaks (8.26, 2.05, 53.88 ppm; 5.61 A): 5 out of 6 assignments used, quality = 0.95: * H GLU 77 + HA ALA 75 OK 83 100 - 83 - 356/3.6=29, 1087/2.9=22...(19) H VAL 66 + HA ALA 75 OK 33 100 - 33 - 1008/3.6=8, 1087/2.9=7...(10) H ASP 88 + HA ALA 75 OK 30 95 - 32 - 1008/3.6=6, 1087/2.9=6...(8) H ALA 86 + HA ALA 75 OK 29 95 - 31 - 4.6/5746=5, 1087/2.9=5...(9) H LYS 64 + HA ALA 75 OK 13 63 - 21 - 4.8/5764=4, 1008/3.6=4...(6) H GLY 16 - HA ALA 75 poor 8 65 - 12 - 1087/2.9=2, 5732/4.4=1 Peak 4235 from cnoeabs.peaks (7.20, 2.05, 53.88 ppm; 3.42 A): 3 out of 3 assignments used, quality = 0.89: QE PHE 57 + HA ALA 75 OK 60 95 - 64 - 2.2/5740=15, ~5741=9...(17) * H LYS 78 + HA ALA 75 OK 51 100 - 51 - 1099=10, 1098/3.6=7...(14) QD PHE 80 + HA ALA 75 OK 42 100 - 42 - 4714/3.6=8, 3.8/5740=6...(14) Peak 4236 from cnoeabs.peaks (1.99, 2.05, 53.88 ppm; 2.75 A): 4 out of 12 assignments used, quality = 0.55: * HB2 LYS 78 + HA ALA 75 OK 28 100 - 28 - 4237=8, 1.8/4239=6...(8) HB2 GLU 25 + HA ALA 75 OK 20 100 - 20 - 1644/2.9=5, 4.1/3209=3...(9) HB3 PRO 19 + HA ALA 75 OK 12 97 - 12 - 2.3/4238=2, 4371/2.1=2...(4) HB2 PRO 19 + HA ALA 75 OK 12 93 - 12 - 2.3/4238=2, 4371/2.1=2...(4) HB2 LEU 23 - HA ALA 75 poor 8 78 - 11 - 1.8/5765=2, 3.9/75=2, 3.0/5755=1 HB3 PRO 81 - HA ALA 75 poor 8 73 - 11 - 2.3/4238=2, 3.9/4074=2...(5) HB2 LEU 34 - HA ALA 75 lone 3 100 - 3 - HG2 PRO 84 - HA ALA 75 lone 3 100 - 3 - HG2 GLU 49 - HA ALA 75 lone 2 78 - 3 - HB3 GLU 49 - HA ALA 75 lone 2 73 - 2 - HE3 LYS 68 - HA ALA 75 lone 1 99 - 1 - HB2 GLU 51 - HA ALA 75 lone 1 68 - 2 - Peak 4237 from cnoeabs.peaks (2.05, 1.99, 33.27 ppm; 3.47 A): 6 out of 8 assignments used, quality = 0.79: * HA ALA 75 + HB2 LYS 78 OK 44 100 - 44 - 4236=14, 4238/1.8=10...(10) HG3 GLN 55 + HB2 LYS 78 OK 20 93 - 22 - 4239/1.8=5, 5193/4.0=4...(8) HB2 GLN 55 + HB2 LYS 78 OK 19 92 - 20 - 4239/1.8=4, 5186/4.0=3...(8) HB3 GLU 77 + HB2 LYS 78 OK 19 92 - 20 - 4.1/3297=9, 4239/1.8=4...(5) HG3 GLU 33 + HB2 LYS 78 OK 17 99 - 17 - 4239/1.8=4, ~5818=2...(6) HG2 GLU 22 + HB2 LYS 78 OK 16 92 - 17 - 4239/1.8=3, 366/4.0=2...(5) HB2 MET 21 - HB2 LYS 78 lone 5 99 - 5 - 1099/4.0=2, 4239/1.8=1 QE MET 21 - HB2 LYS 78 lone 3 100 - 3 - 1099/4.0=1 Peak 4238 from cnoeabs.peaks (1.87, 2.05, 53.88 ppm; 3.95 A): 4 out of 12 assignments used, quality = 0.79: * HB3 LYS 78 + HA ALA 75 OK 53 100 - 53 - 4239=15, 1.8/4236=14...(12) HG2 PRO 81 + HA ALA 75 OK 25 97 - 26 - 4107/3.6=6, 2.3/4236=4...(6) HB2 GLU 22 + HA ALA 75 OK 24 63 - 38 - ~4163=5, 4451/2.1=4...(15) HG3 PRO 19 + HA ALA 75 OK 23 100 - 23 - 2.3/4236=5, 2.3/4236=5...(7) HB3 PRO 84 - HA ALA 75 lone 7 90 - 8 - 2.3/4236=1, ~5955=1 HB3 GLU 37 - HA ALA 75 lone 6 98 - 6 - HB2 GLU 49 - HA ALA 75 lone 5 71 - 7 - HB3 GLN 58 - HA ALA 75 lone 4 81 - 5 - 4.6/5746=1 HB VAL 66 - HA ALA 75 lone 4 63 - 6 - 4.0/4234=2 HB ILE 35 - HA ALA 75 lone 4 100 - 3 - HB3 MET 11 - HA ALA 75 lone 2 78 - 3 - HB2 MET 11 - HA ALA 75 lone 2 73 - 2 - Peak 4239 from cnoeabs.peaks (2.05, 1.87, 33.27 ppm; 3.77 A): 6 out of 8 assignments used, quality = 0.85: * HA ALA 75 + HB3 LYS 78 OK 50 100 - 50 - 4238=14, 4236/1.8=13...(11) HG3 GLN 55 + HB3 LYS 78 OK 25 93 - 27 - 4237/1.8=6, 5193/4.0=5...(8) HB2 GLN 55 + HB3 LYS 78 OK 23 92 - 25 - 4237/1.8=5, 5186/4.0=4...(8) HB3 GLU 77 + HB3 LYS 78 OK 21 92 - 23 - 4084/4.0=10, 4237/1.8=5...(4) HG3 GLU 33 + HB3 LYS 78 OK 20 99 - 20 - 4237/1.8=5, ~5818=3...(6) HG2 GLU 22 + HB3 LYS 78 OK 18 92 - 20 - 4237/1.8=5, 366/4.0=2...(5) HB2 MET 21 - HB3 LYS 78 lone 6 99 - 6 - 1099/4.0=2, 4237/1.8=1 QE MET 21 - HB3 LYS 78 lone 4 100 - 4 - 1099/4.0=2 Peak 4240 from cnoeabs.peaks (7.20, 3.94, 58.16 ppm; 3.16 A): 3 out of 3 assignments used, quality = 0.90: QD PHE 80 + HA LEU 76 OK 71 100 - 71 - 4701=23, 2.5/6111=13...(16) * H LYS 78 + HA LEU 76 OK 50 100 - 50 - 1009/3.6=10, 1098/3.0=7...(14) QE PHE 57 + HA LEU 76 OK 32 95 - 34 - 4666/4.0=4, 1092/3.0=4...(13) Peak 4241 from cnoeabs.peaks (3.62, 1.77, 16.19 ppm; 4.46 A): 0 out of 2 assignments used, low quality = 0.36: HA VAL 66 - QE MET 11 OK 36 98 - 37 - 3.2/4244=20, 5458=10...(6) HA2 GLY 54 - QE MET 11 lone 3 85 - 3 - 3.6/753=1 Peak 4243 from cnoeabs.peaks (0.77, 1.77, 16.19 ppm; 3.74 A): 0 out of 7 assignments used, low quality = 0.40: QD1 LEU 73 - QE MET 11 OK 24 99 - 24 - 4699/4246=3, 3191=3...(9) QD2 LEU 79 - QE MET 11 OK 12 92 - 13 - 3.1/4245=4, 4.0/6117=1...(4) QD1 LEU 30 - QE MET 11 OK 11 100 - 11 - 4584=2, 4.8/1152=1, 1904/6.2=1 QD1 LEU 23 - QE MET 11 poor 9 87 - 11 - 3.1/4245=4, 4479=1 QD1 LEU 12 - QE MET 11 lone 5 73 - 6 - 4265/5.3=3 HG2 LYS 26 - QE MET 11 lone 3 78 - 4 - QG1 VAL 20 - QE MET 11 lone 3 73 - 4 - Peak 4244 from cnoeabs.peaks (1.06, 1.77, 16.19 ppm; 3.91 A): 0 out of 4 assignments used, low quality = 0.34: QG2 VAL 66 - QE MET 11 OK 26 73 - 36 - 3.2/4241=22, 5464=7...(6) HG2 LYS 56 - QE MET 11 OK 11 100 - 11 - 1.8/4245=7 QD2 LEU 34 - QE MET 11 lone 7 100 - 7 - QG2 THR 38 - QE MET 11 lone 2 93 - 2 - Peak 4245 from cnoeabs.peaks (1.26, 1.77, 16.19 ppm; 4.27 A): 0 out of 8 assignments used, low quality = 0.24: HG3 LYS 56 - QE MET 11 OK 14 93 - 15 - 1.8/4244=10 HB2 LEU 79 - QE MET 11 OK 12 93 - 13 - 3.1/4243=6, 2.9/6117=2 HB3 LYS 68 - QE MET 11 poor 10 65 - 15 - 3.0/5540=3, 4.0/5533=2...(4) HB3 LEU 23 - QE MET 11 lone 10 99 - 10 - 3.1/4243=5 HG3 LYS 65 - QE MET 11 lone 9 100 - 9 - 3.7/2909=1, 5.0/813=1 HD3 LYS 44 - QE MET 11 lone 5 71 - 7 - 4.8/1153=2 HG3 LYS 17 - QE MET 11 lone 4 100 - 4 - HG2 LYS 17 - QE MET 11 lone 1 65 - 2 - Peak 4246 from cnoeabs.peaks (7.32, 1.77, 16.19 ppm; 4.85 A): 1 out of 3 assignments used, quality = 0.61: QD TYR 70 + QE MET 11 OK 61 99 - 61 - 2.2/4247=26, 4.6/4252=10...(11) QE PHE 46 - QE MET 11 lone 8 85 - 9 - 5469/4244=2, 847/4252=1 HZ PHE 46 - QE MET 11 lone 7 100 - 7 - 5469/4244=1 Peak 4247 from cnoeabs.peaks (6.79, 1.77, 16.19 ppm; 4.49 A): 2 out of 3 assignments used, quality = 0.68: QE TYR 70 + QE MET 11 OK 57 99 - 58 - 2.2/4246=26, 4250/3.4=9...(12) HE21 GLN 55 + QE MET 11 OK 24 100 - 24 - 4250/3.4=4, 485=4...(8) QD TYR 32 - QE MET 11 poor 9 73 - 12 - 3147/4246=2 Peak 4249 from cnoeabs.peaks (6.79, 2.25, 31.62 ppm; 6.20 A): 3 out of 6 assignments used, quality = 0.86: QE TYR 70 + HG3 MET 11 OK 67 99 - 68 - 4247/3.4=29, ~4246=26...(7) QE TYR 70 + HB2 PRO 84 OK 40 84 - 47 - 4683/2.3=12, 5619/3.0=9...(8) HE21 GLN 55 + HG3 MET 11 OK 28 100 - 27 - 4247/3.4=12, 4250/1.8=9, ~493=3 QD TYR 32 - HB2 PRO 84 poor 8 57 - 13 - 4598/6181=2, ~4618=1 HE21 GLN 55 - HB2 PRO 84 lone 7 86 - 9 - 4247/1157=2 QD TYR 32 - HG3 MET 11 lone 7 73 - 10 - 4247/3.4=4 Peak 4250 from cnoeabs.peaks (6.79, 2.31, 31.62 ppm; 6.15 A): 3 out of 6 assignments used, quality = 0.70: QE TYR 70 + HG2 MET 11 OK 55 89 - 63 - 4247/3.4=27, ~4246=26...(6) HE21 GLN 55 + HG2 MET 11 OK 23 96 - 24 - 4247/3.4=12, 4249/1.8=7, ~493=3 QE TYR 70 + HB2 PRO 81 OK 12 57 - 21 - 3138/2.3=4, 4247/1156=3...(6) HE21 GLN 55 - HB2 PRO 81 lone 5 64 - 8 - 4247/1156=1, 5.7/3470=1 HD22 ASN 63 - HG2 MET 11 lone 2 83 - 3 - HD22 ASN 63 - HB2 PRO 81 lone 2 52 - 4 - Peak 4252 from cnoeabs.peaks (8.33, 1.77, 16.19 ppm; 4.93 A): 6 out of 6 assignments used, quality = 0.79: H TYR 70 + QE MET 11 OK 54 100 - 54 - 4.6/4246=21, 6.5/4247=11...(10) H ALA 72 + QE MET 11 OK 21 89 - 24 - 4.6/1152=4, 3.7/5659=2...(10) H ARG 28 + QE MET 11 OK 16 83 - 19 - 4185/4241=2, 4681/4246=2...(6) H ALA 60 + QE MET 11 OK 14 81 - 17 - 5339/4246=5, 3.5/5327=3...(4) H LEU 85 + QE MET 11 OK 13 76 - 17 - 4.3/1157=9, 398/3.4=4 H GLU 37 + QE MET 11 OK 10 95 - 11 - 4185/4241=2, 684=1, 4683/4244=1 Peak 4253 from cnoeabs.peaks (7.60, 0.66, 22.70 ppm; 5.19 A): 4 out of 4 assignments used, quality = 0.90: H LYS 17 + QD2 LEU 12 OK 65 100 - 65 - 3.6/4312=28, 3.6/4306=27...(7) H VAL 20 + QD2 LEU 12 OK 57 100 - 57 - 4387/4258=11, 3.5/4270=9...(17) H LYS 44 + QD2 LEU 12 OK 19 68 - 28 - ~4265=4, ~4261=3...(9) HD21 ASN 63 + QD2 LEU 12 OK 17 93 - 19 - 3.5/4274=3, 4.4/1195=3...(7) Peak 4256 from cnoeabs.peaks (7.01, 0.66, 22.70 ppm; 6.09 A): 3 out of 3 assignments used, quality = 0.57: QE PHE 80 + QD2 LEU 12 OK 30 87 - 34 - 6.3/1194=5, 4722/3.1=5...(13) HD2 HIS 10 + QD2 LEU 12 OK 26 99 - 26 - 4.0/4273=10, 4.0/4273=10...(4) QD PHE 46 + QD2 LEU 12 OK 17 100 - 17 - 4630/4.0=2, ~4741=2...(6) Peak 4258 from cnoeabs.peaks (4.85, 0.66, 22.70 ppm; 3.76 A): 0 out of 1 assignment used, low quality = 0.43: HA ASN 18 - QD2 LEU 12 OK 43 100 - 43 - 3.8/4353=12, 3.8/4271=11...(8) Peak 4259 from cnoeabs.peaks (4.31, 1.60, 43.73 ppm; 5.76 A): 3 out of 4 assignments used, quality = 0.92: HA THR 13 + HB2 LEU 12 OK 70 81 - 87 - ~3802=28, ~3801=23...(14) HA MET 11 + HB2 LEU 12 OK 61 100 - 61 - 7/4.0=33, 4265/3.1=15...(7) HA LYS 44 + HB2 LEU 12 OK 28 73 - 38 - 4261/1.8=7, 4265/3.1=6...(11) HA ALA 86 - HB2 LEU 12 lone 7 78 - 8 - 4265/3.1=1, 4261/1.8=1 Peak 4260 from cnoeabs.peaks (3.68, 1.60, 43.73 ppm; 5.13 A): 2 out of 2 assignments used, quality = 0.94: HA2 GLY 16 + HB2 LEU 12 OK 90 98 - 91 - 4306/3.1=28, 4263/1.8=25...(14) HD3 PRO 84 + HB2 LEU 12 OK 40 100 - 40 - 4263/1.8=12, ~4271=7...(11) Peak 4261 from cnoeabs.peaks (4.32, 1.38, 43.73 ppm; 6.20 A): 3 out of 4 assignments used, quality = 0.97: HA THR 13 + HB3 LEU 12 OK 85 92 - 92 - ~3802=32, ~3801=26...(14) HA MET 11 + HB3 LEU 12 OK 67 100 - 67 - 7/4.0=35, 4259/1.8=16...(8) HA LYS 44 + HB3 LEU 12 OK 39 87 - 45 - 4259/1.8=8, 4265/3.1=6...(14) HA ALA 86 - HB3 LEU 12 lone 6 63 - 9 - 4259/1.8=2, 4265/3.1=1 Peak 4262 from cnoeabs.peaks (3.97, 1.38, 43.73 ppm; 5.62 A): 1 out of 7 assignments used, quality = 0.96: HA3 GLY 16 + HB3 LEU 12 OK 96 100 - 96 - 4312/3.1=33, 1.8/4263=31...(15) HA PRO 19 - HB3 LEU 12 OK 44 87 - 50 - 4266/3.1=9, 3.8/4377=9...(10) HA LEU 76 - HB3 LEU 12 OK 16 60 - 26 - 4266/3.1=4, 2.9/1177=3...(12) HA ALA 72 - HB3 LEU 12 OK 15 99 - 15 - 4266/3.1=3, 3.6/5711=3...(4) HA ALA 71 - HB3 LEU 12 OK 11 100 - 11 - 3.0/5642=2, 4266/3.1=2 HA GLU 25 - HB3 LEU 12 lone 10 100 - 10 - 4266/3.1=2, ~4504=1 HB3 SER 62 - HB3 LEU 12 poor 9 83 - 11 - 4.3/5393=3, 4281/4.6=2 Peak 4263 from cnoeabs.peaks (3.67, 1.38, 43.73 ppm; 5.03 A): 2 out of 3 assignments used, quality = 0.95: HA2 GLY 16 + HB3 LEU 12 OK 91 100 - 91 - 4268/3.1=28, 4306/3.1=27...(13) HD3 PRO 84 + HB3 LEU 12 OK 43 99 - 43 - 4260/1.8=11, 4268/3.1=9...(9) HA2 GLY 54 - HB3 LEU 12 lone 5 60 - 7 - 4268/3.1=2, 4272/3.1=2, ~6149=1 Peak 4264 from cnoeabs.peaks (4.32, 1.46, 26.47 ppm; 6.11 A): 3 out of 8 assignments used, quality = 0.96: HA THR 13 + HG LEU 12 OK 83 92 - 91 - ~3802=37, ~3801=30...(13) HA MET 11 + HG LEU 12 OK 61 100 - 61 - 7/5.2=30, 4265/2.1=16...(6) HA LYS 44 + HG LEU 12 OK 33 87 - 38 - 4261/3.0=7, 4265/2.1=7...(10) HA MET 11 - HG LEU 79 OK 15 70 - 21 - 3.6/525=9, 4.9/1163=5...(5) HA THR 13 - HG LEU 79 OK 14 59 - 24 - 3.0/17=6, ~18=6...(7) HA ALA 86 - HG LEU 12 lone 6 63 - 9 - 4259/3.0=2, 4265/2.1=1 HA LYS 44 - HG LEU 79 lone 4 54 - 7 - HA ALA 86 - HG LEU 79 lone 3 36 - 8 - 3.6/3398=3, 4125/5.0=2 Peak 4265 from cnoeabs.peaks (4.31, 0.74, 24.91 ppm; 4.41 A): 3 out of 4 assignments used, quality = 0.78: HA THR 13 + QD1 LEU 12 OK 57 81 - 71 - 3.0/3801=22, ~3802=21...(13) HA MET 11 + QD1 LEU 12 OK 38 100 - 38 - 7/4.6=21, 4259/3.1=7...(7) HA LYS 44 + QD1 LEU 12 OK 16 73 - 21 - 4259/3.1=3, 7/4.6=3...(7) HA ALA 86 - QD1 LEU 12 lone 3 78 - 4 - Peak 4266 from cnoeabs.peaks (3.96, 0.74, 24.91 ppm; 3.98 A): 3 out of 7 assignments used, quality = 0.89: HA3 GLY 16 + QD1 LEU 12 OK 82 98 - 84 - 1.8/4268=28, 4311=23...(13) HA PRO 19 + QD1 LEU 12 OK 31 73 - 42 - 3.6/4267=17, 4366=4...(9) HA LEU 76 + QD1 LEU 12 OK 14 76 - 18 - 2.9/1191=2, 3218/2.1=2...(7) HA ALA 72 - QD1 LEU 12 lone 9 100 - 9 - 4262/3.1=1, 2.1/5674=1 HA GLU 25 - QD1 LEU 12 lone 8 98 - 8 - 3.6/607=2 HA ALA 71 - QD1 LEU 12 lone 6 100 - 6 - HB3 SER 62 - QD1 LEU 12 lone 2 68 - 3 - Peak 4267 from cnoeabs.peaks (3.77, 0.74, 24.91 ppm; 4.49 A): 2 out of 3 assignments used, quality = 0.61: HD3 PRO 19 + QD1 LEU 12 OK 54 78 - 69 - ~4353=17, 4362/2.1=12...(19) HB2 SER 36 + QD1 LEU 12 OK 14 90 - 16 - 4760/2.1=7, ~4766=6, 4740/1193=2 HA2 GLY 40 - QD1 LEU 12 lone 2 100 - 2 - Peak 4268 from cnoeabs.peaks (3.66, 0.74, 24.91 ppm; 3.88 A): 2 out of 3 assignments used, quality = 0.79: HA2 GLY 16 + QD1 LEU 12 OK 72 95 - 76 - 4305=24, 1.8/4266=19...(12) HD3 PRO 84 + QD1 LEU 12 OK 24 89 - 27 - 4272/2.1=6, 4263/3.1=6...(7) HA2 GLY 54 - QD1 LEU 12 lone 5 87 - 5 - 3.6/5169=1, 4272/2.1=1 Peak 4269 from cnoeabs.peaks (3.06, 0.74, 24.91 ppm; 4.87 A): 4 out of 4 assignments used, quality = 0.66: HE3 LYS 78 + QD1 LEU 12 OK 24 71 - 34 - 4273/2.1=6, ~4273=5...(13) HB2 HIS 10 + QD1 LEU 12 OK 24 99 - 24 - 4273/2.1=8, ~4273=7...(8) HB3 HIS 10 + QD1 LEU 12 OK 24 99 - 24 - 4273/2.1=8, ~4273=7...(8) HE2 LYS 78 + QD1 LEU 12 OK 23 68 - 34 - 4273/2.1=6, ~4273=5...(13) Peak 4270 from cnoeabs.peaks (4.00, 0.66, 22.70 ppm; 4.20 A): 4 out of 6 assignments used, quality = 0.96: HD2 PRO 19 + QD2 LEU 12 OK 65 78 - 82 - 3.8/4258=29, 1.8/4271=20...(20) HA LEU 79 + QD2 LEU 12 OK 57 100 - 57 - 3382/2.1=8, 3381/2.1=7...(18) HA PRO 19 + QD2 LEU 12 OK 53 93 - 57 - 4.8/4258=22, 3.6/4353=15...(9) HA3 GLY 16 + QD2 LEU 12 OK 49 60 - 82 - 1.8/4306=24, ~4268=20...(14) HB3 SER 62 - QD2 LEU 12 lone 4 96 - 4 - 4281/3802=1 HA GLU 25 - QD2 LEU 12 lone 3 60 - 4 - Peak 4271 from cnoeabs.peaks (3.80, 0.66, 22.70 ppm; 4.57 A): 3 out of 4 assignments used, quality = 0.93: HD3 PRO 19 + QD2 LEU 12 OK 86 100 - 86 - 3.8/4258=33, 1.8/4353=24...(19) HD2 PRO 84 + QD2 LEU 12 OK 39 85 - 46 - 1.8/4272=10, 4362=8...(11) HA ALA 67 + QD2 LEU 12 OK 17 100 - 17 - 2.1/1197=3, ~1190=2...(8) HA2 GLY 40 - QD2 LEU 12 lone 1 57 - 2 - Peak 4272 from cnoeabs.peaks (3.66, 0.66, 22.70 ppm; 4.94 A): 2 out of 3 assignments used, quality = 0.93: HA2 GLY 16 + QD2 LEU 12 OK 88 95 - 93 - 4306=38, 4268/2.1=34...(13) HD3 PRO 84 + QD2 LEU 12 OK 38 89 - 43 - 1.8/4271=12, 4268/2.1=11...(9) HA2 GLY 54 - QD2 LEU 12 lone 7 87 - 8 - 4268/2.1=2, 3.0/6149=2 Peak 4273 from cnoeabs.peaks (3.06, 0.66, 22.70 ppm; 5.73 A): 4 out of 4 assignments used, quality = 0.79: HB2 HIS 10 + QD2 LEU 12 OK 37 99 - 38 - 4269/2.1=12, 4.0/4256=10...(9) HB3 HIS 10 + QD2 LEU 12 OK 37 99 - 38 - 4269/2.1=12, 4.0/4256=10...(9) HE3 LYS 78 + QD2 LEU 12 OK 27 71 - 39 - 4269/2.1=12, ~4269=9...(10) HE2 LYS 78 + QD2 LEU 12 OK 26 68 - 39 - 4269/2.1=12, ~4269=10...(10) Peak 4274 from cnoeabs.peaks (2.85, 0.66, 22.70 ppm; 4.45 A): 3 out of 9 assignments used, quality = 0.92: HB2 ASN 18 + QD2 LEU 12 OK 65 100 - 65 - 3.0/4258=38, 4.8/4353=13...(9) HB3 ASN 18 + QD2 LEU 12 OK 65 99 - 65 - 3.0/4258=38, 4.8/4353=13...(9) HB3 ASN 24 + QD2 LEU 12 OK 36 100 - 36 - 3.5/1194=4, 3.0/1195=4...(18) HB3 ASN 63 - QD2 LEU 12 OK 20 99 - 21 - 5410/4.6=3, 3.0/1195=3...(8) HE2 LYS 65 - QD2 LEU 12 OK 20 65 - 30 - 3.0/1196=5, 3.0/1196=5...(13) HB3 TYR 32 - QD2 LEU 12 OK 10 100 - 10 - 4.7/4648=4, 3908/4956=1 HE3 LYS 17 - QD2 LEU 12 lone 10 100 - 10 - 7.2/4253=4, 1421/4258=1 HE2 LYS 17 - QD2 LEU 12 lone 9 99 - 9 - 7.2/4253=4, 1421/4258=1 HB2 ASN 90 - QD2 LEU 12 lone 1 78 - 2 - Peak 4275 from cnoeabs.peaks (1.11, 1.38, 43.73 ppm; 6.20 A): 3 out of 3 assignments used, quality = 0.90: QG2 THR 13 + HB3 LEU 12 OK 78 99 - 79 - 1209/4.6=32, 3.2/4261=15...(12) QG1 VAL 66 + HB3 LEU 12 OK 39 99 - 40 - 1209/4.6=9, 4287/4.0=5...(14) HG3 LYS 14 + HB3 LEU 12 OK 27 97 - 28 - 531/4.6=4, 4276/1.8=4...(9) Peak 4276 from cnoeabs.peaks (1.09, 1.60, 43.73 ppm; 6.20 A): 5 out of 6 assignments used, quality = 0.90: QG2 THR 13 + HB2 LEU 12 OK 73 92 - 79 - 1209/4.6=30, 3.2/4259=17...(12) QG2 THR 38 + HB2 LEU 12 OK 27 99 - 28 - 3.2/1167=4, ~4787=4...(11) HG3 LYS 14 + HB2 LEU 12 OK 24 97 - 25 - 4275/1.8=5, 531/4.6=4...(9) QG1 VAL 66 + HB2 LEU 12 OK 21 60 - 35 - 1209/4.6=8, 4275/1.8=7...(11) HG2 LYS 56 + HB2 LEU 12 OK 19 83 - 22 - 2.9/1169=2, ~1197=2...(9) QD2 LEU 34 - HB2 LEU 12 lone 5 65 - 8 - ~4677=2 Peak 4277 from cnoeabs.peaks (4.00, 1.10, 21.44 ppm; 3.19 A): 7 out of 21 assignments used, quality = 0.70: HA PRO 19 + QG2 THR 13 OK 25 98 - 26 - 4364=7, 3.6/4350=3...(8) HA PRO 19 + QG1 VAL 66 OK 18 76 - 24 - 4364=4, 3.6/4350=3...(9) HD2 PRO 19 + QG2 THR 13 OK 16 65 - 25 - 1.8/4278=4, 2.3/4374=4...(8) HB3 SER 62 + QG2 THR 13 OK 14 99 - 14 - 2795/4.1=3, 4.3/5394=3...(5) HA PRO 19 + QG2 THR 38 OK 13 60 - 21 - 4364=6, 3.8/4374=3...(8) HD2 PRO 19 + QG1 VAL 66 OK 12 46 - 27 - 1.8/4278=5, 2.3/4374=4...(10) HB3 SER 62 + QG1 VAL 66 OK 12 78 - 15 - 4.3/5394=8, 3.9/5388=4, 5389=3 HA LEU 79 - QG2 THR 13 lone 7 97 - 8 - 4281/4.0=2 HD2 PRO 19 - QG2 THR 38 poor 7 35 - 20 - 2.3/4374=4, 3.6/4364=3...(9) HA3 GLY 16 - QG2 THR 13 lone 6 73 - 9 - 3.6/4316=5 HA LEU 79 - QG1 VAL 66 lone 4 75 - 5 - HA3 GLY 16 - QG1 VAL 66 lone 3 52 - 5 - 3.6/4316=2 HA GLU 25 - QG2 THR 13 lone 2 73 - 3 - HA LEU 79 - QG2 THR 38 lone 2 59 - 3 - HA GLU 25 - QG1 VAL 66 lone 2 52 - 3 - HA ALA 71 - QG1 VAL 66 lone 1 39 - 4 - HA ALA 71 - QG2 THR 13 lone 1 57 - 2 - HA3 GLY 16 - QG2 THR 38 lone 1 40 - 3 - 3.6/4316=1 HA GLU 25 - QG2 THR 38 lone 1 40 - 3 - HB3 SER 62 - QG2 THR 38 lone 1 62 - 1 - HA ALA 71 - QG2 THR 38 lone 1 30 - 2 - Peak 4278 from cnoeabs.peaks (3.78, 1.10, 21.44 ppm; 3.74 A): 6 out of 12 assignments used, quality = 0.88: HA ALA 67 + QG1 VAL 66 OK 47 60 - 78 - 5511=15, ~4042=15...(22) HD3 PRO 19 + QG1 VAL 66 OK 33 74 - 44 - 5461/2.1=6, 1.8/4350=6...(17) HD3 PRO 19 + QG2 THR 13 OK 33 97 - 34 - 1.8/4350=7, 2.3/4374=6...(8) HA ALA 67 + QG2 THR 13 OK 30 83 - 36 - 5511=7, 2.9/314=7...(10) HD3 PRO 19 + QG2 THR 38 OK 17 58 - 30 - 2.3/4374=6, 1.8/4350=5...(9) HA2 GLY 40 + QG2 THR 38 OK 13 55 - 24 - 2212/4.2=5, ~3937=5...(8) HB2 SER 36 - QG1 VAL 66 poor 9 46 - 20 - 1.8/4764=6, 5461/2.1=3...(7) HB2 SER 36 - QG2 THR 38 poor 5 35 - 14 - 1.8/4764=6, 4.5/4780=4...(4) HB2 SER 36 - QG2 THR 13 lone 5 65 - 7 - 1.8/4764=3, 4.5/4780=1 HA2 GLY 40 - QG2 THR 13 lone 1 93 - 1 - HA ALA 67 - QG2 THR 38 lone 1 46 - 2 - HA2 GLY 40 - QG1 VAL 66 lone 1 70 - 1 - Peak 4279 from cnoeabs.peaks (0.85, 4.48, 70.50 ppm; 4.64 A): 3 out of 8 assignments used, quality = 0.55: QD2 LEU 73 + HB THR 13 OK 40 90 - 44 - 5714/3.0=17, ~4284=10...(6) QG2 VAL 47 + HB THR 13 OK 16 92 - 17 - 4841/2.1=5, 6151/3.0=3...(6) HD2 LYS 26 + HB THR 13 OK 12 99 - 12 - 4280/2.1=3, 6151/3.0=2...(5) QD1 LEU 76 - HB THR 13 poor 10 71 - 14 - 6206/2.1=6, ~6207=5 QD2 LEU 30 - HB THR 13 lone 6 95 - 6 - 4280/2.1=2, ~6152=1, ~6100=1 QD2 LEU 87 - HB THR 13 lone 5 96 - 5 - 6151/3.0=1, 4280/2.1=1, ~4284=1 QB ALA 75 - HB THR 13 lone 4 95 - 5 - 4280/2.1=2 QD2 LEU 85 - HB THR 13 lone 4 85 - 4 - 6151/3.0=1 Peak 4280 from cnoeabs.peaks (0.86, 1.10, 21.44 ppm; 3.18 A): 0 out of 27 assignments used, low quality = 0.31: QD2 LEU 73 - QG2 THR 13 OK 22 78 - 28 - 5714/3.2=7, 4279/2.1=6...(7) QD1 LEU 76 - QG2 THR 13 OK 12 85 - 14 - 6206=6, 2.1/6207=3, 4279/2.1=2 QD1 LEU 76 - QG1 VAL 66 poor 10 62 - 16 - 6206=5, 2.1/6207=3...(4) QG2 VAL 47 - QG2 THR 13 poor 8 81 - 10 - 4841=3, 4279/2.1=3, 2.1/4841=1 QD2 LEU 73 - QG1 VAL 66 poor 8 56 - 15 - 5707/4696=3, 5708/4687=3...(4) HD2 LYS 26 - QG2 THR 13 lone 8 96 - 8 - 4279/2.1=2, 3.0/6100=1 QD2 LEU 30 - QG2 THR 38 lone 5 62 - 9 - 3896/4.0=4, ~6031=1, 2.1/6100=1 QG2 VAL 47 - QG1 VAL 66 lone 5 58 - 9 - 4841=2, 2.1/4841=1 QD1 LEU 76 - QG2 THR 38 lone 5 48 - 10 - 6206=5, 2.1/6207=2 QD2 LEU 30 - QG2 THR 13 lone 4 99 - 4 - 2.1/6100=1 QB ALA 75 - QG2 THR 13 lone 4 99 - 4 - QB ALA 75 - QG1 VAL 66 lone 4 78 - 5 - HD2 LYS 26 - QG1 VAL 66 lone 3 73 - 5 - QD2 LEU 87 - QG2 THR 13 lone 3 87 - 3 - QD2 LEU 87 - QG1 VAL 66 lone 2 64 - 4 - 4.8/825=1 QD2 LEU 30 - QG1 VAL 66 lone 2 78 - 3 - QB ALA 75 - QG2 THR 38 lone 2 62 - 3 - QD2 LEU 85 - QG2 THR 13 lone 2 71 - 2 - QD1 LEU 85 - QG2 THR 13 lone 1 63 - 2 - HD2 LYS 26 - QG2 THR 38 lone 1 57 - 2 - QD2 LEU 85 - QG1 VAL 66 lone 1 50 - 2 - QG2 VAL 47 - QG2 THR 38 lone 1 45 - 3 - QD2 LEU 73 - QG2 THR 38 lone 1 43 - 2 - QD1 LEU 85 - QG1 VAL 66 lone 1 44 - 2 - QD2 LEU 87 - QG2 THR 38 lone 0 49 - 1 - QD1 LEU 85 - QG2 THR 38 lone 0 33 - 1 - QD2 LEU 85 - QG2 THR 38 lone 0 38 - 1 - Peak 4283 from cnoeabs.peaks (1.36, 4.33, 60.93 ppm; 5.66 A): 3 out of 12 assignments used, quality = 0.96: HB3 LEU 12 + HA THR 13 OK 83 95 - 88 - ~3802=27, ~3801=22...(14) QB ALA 67 + HA THR 13 OK 54 99 - 55 - 5501/3.0=11, ~5498=10...(10) HG2 LYS 44 + HA THR 13 OK 44 99 - 44 - 2277=8, 2.9/2267=5...(11) HB2 LYS 64 - HA THR 13 OK 20 100 - 20 - 16/3.0=4, 4.0/4286=4...(4) HG2 LYS 68 - HA THR 13 OK 16 100 - 16 - 16/3.0=4, ~15=3...(4) QB ALA 69 - HA THR 13 OK 12 78 - 16 - 5583/3.2=5, 16/3.0=3...(4) HB3 LYS 56 - HA THR 13 poor 10 92 - 10 - 16/3.0=2 HG2 LYS 91 - HA THR 13 lone 9 96 - 10 - 3.0/4284=3, 3.0/4284=3 HG3 LYS 91 - HA THR 13 lone 9 96 - 10 - 3.0/4284=3, 3.0/4284=3 HD3 LYS 56 - HA THR 13 lone 5 57 - 9 - 16/3.0=1, ~16=1 QB ALA 89 - HA THR 13 lone 4 99 - 4 - QB ALA 86 - HA THR 13 lone 3 78 - 4 - Peak 4284 from cnoeabs.peaks (1.64, 4.33, 60.93 ppm; 4.38 A): 3 out of 9 assignments used, quality = 0.56: HG LEU 73 + HA THR 13 OK 40 87 - 47 - 2.1/6151=22, 2.1/6152=16...(8) HB3 LYS 14 + HA THR 13 OK 15 97 - 15 - 3.0/1204=4, ~531=2...(7) HB2 LYS 14 + HA THR 13 OK 15 97 - 15 - 3.0/1204=4, ~531=2...(7) HD2 LYS 91 - HA THR 13 lone 5 100 - 5 - 534/3.6=1 HD3 LYS 91 - HA THR 13 lone 5 100 - 5 - 535/3.6=1 HG LEU 87 - HA THR 13 lone 4 65 - 7 - 2.1/6151=2 HG LEU 23 - HA THR 13 lone 4 68 - 5 - 2.1/6152=2, 3200/6151=1 HG2 ARG 28 - HA THR 13 lone 1 73 - 2 - HG3 ARG 28 - HA THR 13 lone 1 68 - 2 - Peak 4286 from cnoeabs.peaks (8.30, 4.33, 60.93 ppm; 5.49 A): 0 out of 5 assignments used, low quality = 0.31: H ALA 60 - HA THR 13 OK 20 99 - 20 - 2.9/5364=10, ~5362=3, ~5363=3 H GLU 37 - HA THR 13 OK 14 93 - 15 - 4.6/4784=7, 4780/3.2=4 H LEU 85 - HA THR 13 lone 8 100 - 8 - 4.7/6151=2, 917/6151=1 H LYS 64 - HA THR 13 lone 8 95 - 8 - 4.0/4283=2 H GLY 16 - HA THR 13 lone 7 93 - 8 - 4302/4265=2, ~4277=1 Peak 4287 from cnoeabs.peaks (7.86, 1.10, 21.44 ppm; 4.98 A): 7 out of 12 assignments used, quality = 0.91: H LEU 12 + QG2 THR 13 OK 50 100 - 50 - 4.6/1209=24, 4.0/4275=11...(7) H LYS 65 + QG1 VAL 66 OK 50 75 - 67 - 1040/4.3=31, 5467/2.1=25...(7) H LEU 12 + QG1 VAL 66 OK 27 80 - 33 - 5467/2.1=7, 4.6/1209=6...(7) H LYS 65 + QG2 THR 13 OK 24 97 - 24 - 4.6/825=5, 13/4.0=5...(6) H PHE 80 + QG1 VAL 66 OK 15 77 - 19 - 5467/2.1=4, 300/4.0=4...(5) H PHE 80 + QG2 THR 13 OK 15 99 - 15 - 13/4.0=4, 3.6/4277=2 HD21 ASN 24 + QG1 VAL 66 OK 10 69 - 15 - 5467/2.1=4, ~6097=3...(5) H LEU 12 - QG2 THR 38 poor 8 64 - 13 - 4.0/4276=3, 4.6/531=2...(5) HD21 ASN 24 - QG2 THR 13 lone 8 92 - 9 - 13/4.0=3 H LYS 65 - QG2 THR 38 lone 5 59 - 8 - ~4786=2, 5452/3.2=1 H PHE 80 - QG2 THR 38 lone 4 61 - 6 - HD21 ASN 24 - QG2 THR 38 lone 3 53 - 6 - Peak 4289 from cnoeabs.peaks (7.16, 1.65, 31.92 ppm; 5.50 A): 2 out of 4 assignments used, quality = 0.84: HD2 HIS 15 + HB3 LYS 14 OK 60 99 - 61 - 4627/3.0=30, 4626/1.8=18...(4) HD2 HIS 15 + HB2 LYS 14 OK 60 99 - 61 - 4627/3.0=30, 4626/1.8=18...(4) QD PHE 57 - HB3 LYS 14 lone 3 100 - 3 - QD PHE 57 - HB2 LYS 14 lone 3 100 - 3 - Peak 4290 from cnoeabs.peaks (7.61, 3.33, 29.33 ppm; 6.11 A): 2 out of 4 assignments used, quality = 0.55: H LYS 17 + HB2 HIS 15 OK 47 97 - 49 - 956/4.5=23, 4.8/4293=18...(6) H VAL 20 + HB2 HIS 15 OK 14 92 - 16 - 956/4.5=8, 1359/4293=2 HD21 ASN 63 - HB2 HIS 15 poor 9 71 - 13 - 956/4.5=8, 4291/1.8=2 HD21 ASN 90 - HB2 HIS 15 lone 2 76 - 3 - Peak 4291 from cnoeabs.peaks (7.58, 2.96, 29.33 ppm; 6.20 A): 3 out of 5 assignments used, quality = 0.51: H LYS 17 + HB3 HIS 15 OK 37 78 - 47 - 956/4.5=19, 4.8/4295=13...(6) HD21 ASN 63 + HB3 HIS 15 OK 13 99 - 13 - 5412/4.5=8, 4290/1.8=1 H VAL 20 + HB3 HIS 15 OK 11 87 - 12 - 956/4.5=6, 4290/1.8=2 H SER 36 - HB3 HIS 15 lone 5 93 - 6 - H LYS 44 - HB3 HIS 15 lone 5 100 - 5 - Peak 4292 from cnoeabs.peaks (1.51, 3.33, 29.33 ppm; 5.42 A): 4 out of 16 assignments used, quality = 0.85: QB ALA 71 + HB2 HIS 15 OK 50 99 - 50 - 2.9/334=15, 5658=15...(9) HD3 LYS 17 + HB2 HIS 15 OK 39 100 - 39 - 3.0/4293=19, 6.1/4290=12 HD2 LYS 17 + HB2 HIS 15 OK 39 100 - 39 - 3.0/4293=19, 6.1/4290=12 QB ALA 72 + HB2 HIS 15 OK 19 83 - 23 - 4.2/5658=10, 5696/4.0=3...(8) HB2 ARG 45 - HB2 HIS 15 lone 8 100 - 8 - HG LEU 34 - HB2 HIS 15 lone 7 100 - 7 - 2.1/4293=3 HB3 LYS 26 - HB2 HIS 15 lone 7 100 - 7 - 2.9/4293=1 HG3 ARG 27 - HB2 HIS 15 lone 7 100 - 7 - 1796/5891=2 HB2 LEU 85 - HB2 HIS 15 lone 6 100 - 6 - 3578/4.5=2, 4.0/3816=1 HB2 LYS 56 - HB2 HIS 15 lone 6 96 - 7 - HD3 LYS 64 - HB2 HIS 15 lone 6 97 - 6 - 6.2/3816=1 HG2 GLU 37 - HB2 HIS 15 lone 5 97 - 5 - 4775/4579=1 HD2 LYS 56 - HB2 HIS 15 lone 5 85 - 6 - HB3 LEU 87 - HB2 HIS 15 lone 3 85 - 4 - HG LEU 30 - HB2 HIS 15 lone 3 65 - 4 - HB3 LYS 44 - HB2 HIS 15 lone 3 63 - 4 - Peak 4293 from cnoeabs.peaks (1.23, 3.33, 29.33 ppm; 5.30 A): 0 out of 9 assignments used, low quality = 0.45: HG2 LYS 17 - HB2 HIS 15 OK 45 99 - 45 - 4.8/4290=14, 4295/1.8=13...(8) HD3 LYS 68 - HB2 HIS 15 lone 10 99 - 9 - 4295/1.8=3, ~4295=3 HD2 LYS 68 - HB2 HIS 15 lone 10 99 - 10 - ~4295=3, 4295/1.8=3 QD1 LEU 34 - HB2 HIS 15 lone 5 90 - 6 - 2.1/4292=1 HG13 ILE 35 - HB2 HIS 15 lone 4 100 - 4 - 4295/1.8=1 HG3 LYS 26 - HB2 HIS 15 lone 3 65 - 5 - 2.9/4292=1 HB2 LEU 79 - HB2 HIS 15 lone 3 85 - 4 - 4295/1.8=1 HB3 LEU 23 - HB2 HIS 15 lone 2 65 - 4 - 4295/1.8=1 QG2 THR 83 - HB2 HIS 15 lone 2 83 - 3 - Peak 4295 from cnoeabs.peaks (1.25, 2.96, 29.33 ppm; 4.91 A): 2 out of 9 assignments used, quality = 0.46: HG2 LYS 17 + HB3 HIS 15 OK 29 97 - 30 - 4293/1.8=14, 4.8/4291=9...(5) HG3 LYS 17 + HB3 HIS 15 OK 24 81 - 30 - ~4293=15, 4.8/4291=9...(5) HD3 LYS 68 - HB3 HIS 15 lone 6 76 - 8 - ~4293=3, 4293/1.8=3 HD2 LYS 68 - HB3 HIS 15 lone 6 73 - 8 - ~4293=3, 4293/1.8=3 HG3 LYS 65 - HB3 HIS 15 lone 3 93 - 3 - 4035/4.5=1 HG13 ILE 35 - HB3 HIS 15 lone 3 83 - 3 - 4293/1.8=1 HB2 LEU 79 - HB3 HIS 15 lone 3 100 - 3 - HB3 LEU 23 - HB3 HIS 15 lone 3 97 - 3 - HG3 LYS 56 - HB3 HIS 15 lone 2 57 - 3 - Peak 4297 from cnoeabs.peaks (1.61, 7.16, 119.63 ppm; 5.34 A): 0 out of 10 assignments used, low quality = 0.00: HD3 LYS 91 - HD2 HIS 15 lone 8 81 - 9 - 3.0/1321=4, 3.0/1321=4 HD2 LYS 91 - HD2 HIS 15 lone 7 78 - 9 - 3.0/1321=4, 3.0/1321=4 HB2 LYS 68 - HD2 HIS 15 lone 7 95 - 7 - 3.5/4298=3, 3.5/4298=2 HB2 LEU 12 - HD2 HIS 15 lone 3 89 - 3 - HG LEU 73 - HD2 HIS 15 lone 2 100 - 2 - HG LEU 23 - HD2 HIS 15 lone 2 100 - 2 - HG LEU 87 - HD2 HIS 15 lone 2 99 - 2 - HG LEU 85 - HD2 HIS 15 lone 2 97 - 2 - HB2 LEU 87 - HD2 HIS 15 lone 2 89 - 2 - HB3 LEU 85 - HD2 HIS 15 lone 1 71 - 2 - Peak 4298 from cnoeabs.peaks (1.21, 7.16, 119.63 ppm; 6.20 A): 3 out of 8 assignments used, quality = 0.69: HG2 LYS 14 + HD2 HIS 15 OK 61 100 - 62 - 1.8/4627=38, 3.0/4289=20 HD2 LYS 68 + HD2 HIS 15 OK 11 83 - 13 - 3.5/4297=8, 4293/4.0=2 HD3 LYS 68 + HD2 HIS 15 OK 11 81 - 13 - 3.5/4297=8, 4293/4.0=2 QD1 LEU 34 - HD2 HIS 15 lone 9 97 - 9 - 2.1/4299=3 HG3 LYS 26 - HD2 HIS 15 lone 8 100 - 8 - 1257/4627=2 HG13 ILE 35 - HD2 HIS 15 lone 5 73 - 7 - 1.8/4627=3 QG2 THR 83 - HD2 HIS 15 lone 4 99 - 4 - HG3 LYS 44 - HD2 HIS 15 lone 3 63 - 4 - Peak 4299 from cnoeabs.peaks (1.09, 7.16, 119.63 ppm; 6.20 A): 1 out of 6 assignments used, quality = 0.51: HG3 LYS 14 + HD2 HIS 15 OK 51 97 - 53 - 1.8/4298=23, 3.0/4289=20 HG2 LYS 56 - HD2 HIS 15 lone 8 83 - 9 - 5229/5085=2 QG2 THR 13 - HD2 HIS 15 lone 7 92 - 7 - 4788/4.0=2 QG2 THR 38 - HD2 HIS 15 lone 6 99 - 6 - 4788/4.0=2 QD2 LEU 34 - HD2 HIS 15 lone 5 65 - 8 - 2.1/4298=3 QG1 VAL 66 - HD2 HIS 15 lone 4 60 - 7 - 5600/1320=2 Peak 4303 from cnoeabs.peaks (1.60, 3.67, 45.70 ppm; 4.73 A): 2 out of 12 assignments used, quality = 0.92: HB2 LEU 12 + HA2 GLY 16 OK 90 100 - 90 - 4260=26, 3.1/4268=26...(13) HB3 LEU 85 + HA2 GLY 16 OK 23 98 - 24 - 4.0/403=11, 4308/1.8=3...(8) HG LEU 85 - HA2 GLY 16 OK 21 100 - 21 - 5.1/403=9, 4301/3.0=2...(8) HB2 LYS 68 - HA2 GLY 16 OK 21 100 - 21 - 2.9/4304=4, ~4309=3...(8) HD3 LYS 65 - HA2 GLY 16 OK 20 85 - 23 - 4308/1.8=3, ~4307=3...(10) HD2 LYS 65 - HA2 GLY 16 OK 18 78 - 23 - 4308/1.8=3, ~4307=3...(10) HB2 LEU 87 - HA2 GLY 16 lone 10 100 - 10 - 3585/403=2, 4308/1.8=1 HG LEU 87 - HA2 GLY 16 lone 9 97 - 9 - 4301/3.0=1, 3592/403=1 HG LEU 23 - HA2 GLY 16 lone 5 97 - 5 - ~4310=1 HG LEU 73 - HA2 GLY 16 lone 5 85 - 6 - ~4302=1, ~5705=1 HD2 LYS 14 - HA2 GLY 16 lone 5 90 - 5 - HD3 LYS 14 - HA2 GLY 16 lone 5 89 - 5 - Peak 4304 from cnoeabs.peaks (1.37, 3.67, 45.70 ppm; 4.43 A): 3 out of 12 assignments used, quality = 0.90: HB3 LEU 12 + HA2 GLY 16 OK 84 99 - 86 - 3.1/4268=24, 4263=22...(12) HB2 LYS 64 + HA2 GLY 16 OK 21 99 - 22 - 4309/1.8=5, 2827/3.0=3...(10) HG2 LYS 68 + HA2 GLY 16 OK 17 100 - 18 - 4309/1.8=4, 2.9/4303=3...(8) QB ALA 69 - HA2 GLY 16 lone 8 89 - 9 - 4309/1.8=2, 1190/4268=1 HG2 LYS 44 - HA2 GLY 16 lone 6 100 - 6 - 4309/1.8=2, 2276/3.6=1 QB ALA 67 - HA2 GLY 16 lone 6 100 - 6 - 4309/1.8=2 HB3 LYS 56 - HA2 GLY 16 lone 6 97 - 6 - 4309/1.8=1 HD3 LYS 56 - HA2 GLY 16 lone 3 71 - 5 - HG2 LYS 91 - HA2 GLY 16 lone 3 89 - 3 - HG3 LYS 91 - HA2 GLY 16 lone 3 89 - 3 - QB ALA 89 - HA2 GLY 16 lone 2 96 - 2 - QB ALA 86 - HA2 GLY 16 lone 1 65 - 2 - Peak 4305 from cnoeabs.peaks (0.74, 3.67, 45.70 ppm; 3.82 A): 3 out of 6 assignments used, quality = 0.88: QD1 LEU 12 + HA2 GLY 16 OK 78 99 - 79 - 4268=32, 4266/1.8=19...(12) QG2 VAL 20 + HA2 GLY 16 OK 27 99 - 28 - 4311/1.8=7, 1501/3.6=6...(7) QG1 VAL 20 + HA2 GLY 16 OK 27 99 - 27 - 4311/1.8=7, 1496/3.6=6...(7) QD1 LEU 79 - HA2 GLY 16 lone 9 100 - 9 - 4311/1.8=2, 1199/4306=2...(4) QD2 LEU 76 - HA2 GLY 16 lone 5 78 - 6 - 4311/1.8=2, ~6048=1 HG2 LYS 26 - HA2 GLY 16 lone 4 97 - 4 - 4311/1.8=1 Peak 4306 from cnoeabs.peaks (0.66, 3.67, 45.70 ppm; 4.90 A): 2 out of 2 assignments used, quality = 0.95: QD2 LEU 12 + HA2 GLY 16 OK 93 100 - 93 - 4312/1.8=33, 2.1/4268=32...(13) QD1 ILE 35 + HA2 GLY 16 OK 22 97 - 23 - 4312/1.8=7, 1179/4263=3...(7) Peak 4307 from cnoeabs.peaks (1.72, 3.97, 45.70 ppm; 6.20 A): 4 out of 7 assignments used, quality = 0.82: HB3 LYS 17 + HA3 GLY 16 OK 46 100 - 46 - 553/3.6=20, 4300/3.0=11...(5) HB2 LYS 17 + HA3 GLY 16 OK 46 100 - 46 - 553/3.6=20, 4300/3.0=11...(5) HB3 LYS 65 + HA3 GLY 16 OK 32 87 - 37 - 4300/3.0=6, 3.0/4310=5...(12) HG2 LYS 78 + HA3 GLY 16 OK 11 90 - 12 - 4300/3.0=3, 5821=2 HB3 ARG 27 - HA3 GLY 16 lone 6 85 - 7 - 4300/3.0=1, 553/3.6=1 HB3 LYS 31 - HA3 GLY 16 lone 6 89 - 7 - 4300/3.0=2, 553/3.6=1 HB2 LEU 30 - HA3 GLY 16 lone 4 68 - 6 - 4300/3.0=1 Peak 4308 from cnoeabs.peaks (1.58, 3.97, 45.70 ppm; 4.98 A): 3 out of 11 assignments used, quality = 0.91: HB2 LEU 12 + HA3 GLY 16 OK 84 92 - 92 - 3.1/4312=28, 4260/1.8=24...(12) HD2 LYS 65 + HA3 GLY 16 OK 25 99 - 25 - 3.5/4307=5, 2.8/4310=3...(9) HD3 LYS 65 + HA3 GLY 16 OK 25 100 - 25 - 3.5/4307=5, 2.8/4310=3...(10) HB2 LYS 68 - HA3 GLY 16 OK 19 85 - 23 - 2.9/4309=4, 4303/1.8=3...(9) HB3 LEU 85 - HA3 GLY 16 OK 19 99 - 19 - 4303/1.8=3, 4.0/1326=3...(7) HG LEU 85 - HA3 GLY 16 OK 14 81 - 17 - 4303/1.8=3, ~4303=3...(9) HB2 LEU 87 - HA3 GLY 16 lone 9 92 - 10 - 4303/1.8=1, 3585/3.0=1 HG LEU 87 - HA3 GLY 16 lone 6 68 - 9 - 4303/1.8=1, ~4303=1 HD2 LYS 14 - HA3 GLY 16 lone 6 100 - 6 - HD3 LYS 14 - HA3 GLY 16 lone 6 100 - 6 - HG LEU 23 - HA3 GLY 16 lone 5 65 - 7 - 5.1/1029=2, 3.0/4310=1 Peak 4309 from cnoeabs.peaks (1.37, 3.97, 45.70 ppm; 4.44 A): 3 out of 12 assignments used, quality = 0.91: HB3 LEU 12 + HA3 GLY 16 OK 85 99 - 87 - 3.1/4312=22, 4263/1.8=20...(13) HB2 LYS 64 + HA3 GLY 16 OK 22 99 - 22 - 4304/1.8=5, 2827/3.0=3...(9) HG2 LYS 68 + HA3 GLY 16 OK 19 100 - 19 - 4304/1.8=4, 2.9/4308=2...(8) QB ALA 69 - HA3 GLY 16 poor 9 89 - 11 - 4304/1.8=2, 6186=1 QB ALA 67 - HA3 GLY 16 lone 7 100 - 7 - 4304/1.8=1 HG2 LYS 44 - HA3 GLY 16 lone 7 100 - 7 - 4304/1.8=2, 2276/3.6=1 HB3 LYS 56 - HA3 GLY 16 lone 6 97 - 6 - 4304/1.8=1 HD3 LYS 56 - HA3 GLY 16 lone 4 71 - 5 - HG2 LYS 91 - HA3 GLY 16 lone 3 89 - 4 - HG3 LYS 91 - HA3 GLY 16 lone 3 89 - 4 - QB ALA 89 - HA3 GLY 16 lone 2 96 - 2 - QB ALA 86 - HA3 GLY 16 lone 2 65 - 2 - Peak 4310 from cnoeabs.peaks (1.24, 3.97, 45.70 ppm; 6.20 A): 8 out of 9 assignments used, quality = 0.92: HG2 LYS 17 + HA3 GLY 16 OK 48 100 - 48 - 1359/3.6=23, 2.9/4307=11...(5) HG3 LYS 65 + HA3 GLY 16 OK 31 83 - 37 - 3.0/4307=8, 2.8/4308=5...(11) HG3 LYS 17 + HA3 GLY 16 OK 27 65 - 41 - 555/3.6=14, 2.9/4307=11...(4) HG13 ILE 35 + HA3 GLY 16 OK 24 93 - 25 - 2.1/4312=8, ~4306=8...(4) HD3 LYS 68 + HA3 GLY 16 OK 24 89 - 27 - 3.0/4309=5, ~4304=4...(6) HD2 LYS 68 + HA3 GLY 16 OK 23 87 - 27 - 3.0/4309=5, ~4304=4...(6) HB2 LEU 79 + HA3 GLY 16 OK 19 99 - 19 - 3.1/4311=3, ~4305=3...(6) HB3 LEU 23 + HA3 GLY 16 OK 14 90 - 15 - 3.9/1029=3, 554/3.6=3...(4) QD1 LEU 34 - HA3 GLY 16 poor 7 65 - 10 - 554/3.6=4 Peak 4311 from cnoeabs.peaks (0.74, 3.97, 45.70 ppm; 3.96 A): 4 out of 6 assignments used, quality = 0.93: QD1 LEU 12 + HA3 GLY 16 OK 83 99 - 84 - 4268/1.8=27, 4266=26...(13) QG2 VAL 20 + HA3 GLY 16 OK 33 99 - 33 - 4305/1.8=7, 1501/3.6=7...(8) QG1 VAL 20 + HA3 GLY 16 OK 32 99 - 33 - 4305/1.8=7, 1496/3.6=6...(9) QD1 LEU 79 + HA3 GLY 16 OK 11 100 - 11 - 4305/1.8=2, 1199/4312=2...(4) QD2 LEU 76 - HA3 GLY 16 lone 7 78 - 9 - 4305/1.8=1, 2.1/6048=1 HG2 LYS 26 - HA3 GLY 16 lone 6 97 - 6 - 4305/1.8=1 Peak 4312 from cnoeabs.peaks (0.66, 3.97, 45.70 ppm; 4.87 A): 2 out of 2 assignments used, quality = 0.93: QD2 LEU 12 + HA3 GLY 16 OK 91 99 - 92 - 4306/1.8=32, ~4268=25...(15) QD1 ILE 35 + HA3 GLY 16 OK 19 100 - 19 - 4306/1.8=8, 1179/4309=3...(5) Peak 4314 from cnoeabs.peaks (8.23, 1.72, 34.03 ppm; 5.16 A): 4 out of 18 assignments used, quality = 0.66: H GLU 22 + HB3 LYS 17 OK 29 100 - 29 - 3.0/6202=9, ~6202=6...(6) H GLU 22 + HB2 LYS 17 OK 29 100 - 29 - 3.0/6202=9, ~6202=6...(6) H VAL 66 + HB2 LYS 17 OK 18 63 - 29 - 3.6/2910=5, 4.4/2920=5...(9) H VAL 66 + HB3 LYS 17 OK 18 63 - 29 - 3.6/2910=5, 4.4/2920=5...(9) HE21 GLN 58 - HB3 LYS 17 poor 9 85 - 10 - 5303/3.7=2, 5303/3.7=2, ~5313=2 HE21 GLN 58 - HB2 LYS 17 poor 9 85 - 10 - 5303/3.7=2, 5303/3.7=2, ~5313=2 H ASP 88 - HB3 LYS 17 lone 7 90 - 8 - 1023/4.0=1 H ASP 88 - HB2 LYS 17 lone 7 90 - 8 - 1023/4.0=1 H ALA 86 - HB3 LYS 17 lone 5 90 - 5 - H ALA 86 - HB2 LYS 17 lone 5 90 - 5 - H GLU 77 - HB3 LYS 17 lone 4 60 - 7 - 4.6/884=1 H GLU 77 - HB2 LYS 17 lone 4 60 - 7 - 4.6/884=1 H GLU 22 - HB3 LYS 31 lone 4 74 - 5 - 3.0/6202=1 H ASP 88 - HB3 LYS 31 lone 4 61 - 6 - 3.6/4600=2 H GLU 77 - HB3 LYS 31 lone 3 37 - 8 - 4.6/884=3 H ALA 86 - HB3 LYS 31 lone 2 61 - 3 - H VAL 66 - HB3 LYS 31 lone 2 39 - 4 - HE21 GLN 58 - HB3 LYS 31 lone 1 56 - 3 - Peak 4317 from cnoeabs.peaks (1.10, 1.72, 34.03 ppm; 4.51 A): 5 out of 12 assignments used, quality = 0.75: QG2 THR 13 + HB2 LYS 17 OK 34 100 - 34 - 4316/4.0=11, 6028=7...(12) QG2 THR 13 + HB3 LYS 17 OK 34 100 - 34 - 4316/4.0=11, 6028=7...(12) QG2 THR 38 + HB3 LYS 31 OK 20 56 - 37 - 2202/3.9=6, ~1929=5...(11) QG1 VAL 66 + HB2 LYS 17 OK 15 87 - 17 - 4316/4.0=4, 6028=3...(6) QG1 VAL 66 + HB3 LYS 17 OK 15 87 - 17 - 4316/4.0=4, 6028=3...(6) QG2 THR 38 - HB3 LYS 17 poor 10 85 - 11 - 4316/4.0=3, 6028=1...(5) QG2 THR 38 - HB2 LYS 17 poor 9 85 - 11 - 4316/4.0=3, 6028=1...(5) HG3 LYS 14 - HB2 LYS 17 lone 5 100 - 5 - 4316/4.0=2 HG3 LYS 14 - HB3 LYS 17 lone 5 100 - 5 - 4316/4.0=2 QG2 THR 13 - HB3 LYS 31 lone 3 73 - 4 - HG3 LYS 14 - HB3 LYS 31 lone 2 74 - 3 - QG1 VAL 66 - HB3 LYS 31 lone 2 58 - 4 - Peak 4333 from cnoeabs.peaks (2.06, 2.86, 38.54 ppm; 3.80 A): 5 out of 32 assignments used, quality = 1.00: HB2 MET 21 + HB2 ASN 18 OK 81 100 - 81 - 4433=11, 1513/3.5=11...(26) HB2 MET 21 + HB3 ASN 18 OK 81 100 - 81 - 4433=11, 1513/3.5=11...(26) QE MET 21 + HB3 ASN 18 OK 72 100 - 72 - 4427/3.5=14, 4440=11...(20) QE MET 21 + HB2 ASN 18 OK 72 100 - 72 - 4427/3.5=14, 4440=12...(20) HB2 MET 21 + HB3 ASN 24 OK 59 90 - 65 - ~4157=14, ~4158=10...(15) QE MET 21 - HB3 ASN 24 OK 27 90 - 30 - 4.2/4434=4, 4440=4...(9) HA ALA 75 - HB3 ASN 24 OK 14 89 - 16 - 3209/4.6=5, ~3859=3...(4) HG3 GLN 55 - HB3 ASN 18 OK 12 85 - 14 - 1.8/4335=2, 5194/3.9=1, ~4335=1 HG3 GLN 55 - HB2 ASN 18 OK 12 85 - 14 - 1.8/4335=2, 5194/3.9=1, ~4335=1 HB3 GLU 77 - HB3 ASN 18 OK 11 97 - 12 - ~4331=1, 4326/3.5=1...(5) HB3 GLU 77 - HB2 ASN 18 OK 11 97 - 12 - ~4331=1, 4326/3.5=1...(5) HB2 GLN 55 - HB3 ASN 18 OK 11 83 - 13 - 2.9/4335=1, 5187/3.5=1 HB2 GLN 55 - HB2 ASN 18 OK 11 83 - 13 - 2.9/4335=1, 5187/3.5=1 HG3 GLU 33 - HB2 ASN 18 OK 10 100 - 10 - 3915/3.9=4, 5.1/145=1 HG3 GLU 33 - HB3 ASN 18 OK 10 100 - 10 - 3915/3.9=4, 5.1/145=1 HB3 GLU 77 - HB3 ASN 24 poor 8 85 - 10 - ~5790=2, 600/4.6=2...(5) HG2 GLU 22 - HB3 ASN 18 lone 8 97 - 8 - 4326/3.5=2, 5.0/4473=1 HG2 GLU 22 - HB2 ASN 18 lone 8 97 - 8 - 4326/3.5=2 HG3 GLU 33 - HB3 ASN 24 lone 6 89 - 7 - 2063/3.0=1, 5.1/145=1 HA ALA 75 - HB3 ASN 18 lone 6 100 - 6 - HA ALA 75 - HB2 ASN 18 lone 6 100 - 6 - HG2 GLU 22 - HB3 ASN 24 lone 5 85 - 6 - 5.0/4473=2 HG3 GLN 55 - HB3 ASN 24 lone 3 71 - 4 - HB2 GLN 55 - HB3 ASN 24 lone 3 69 - 4 - HG2 GLU 22 - HB2 ASN 90 lone 2 57 - 3 - 3850/4.0=2 HB2 MET 21 - HB2 ASN 90 lone 1 62 - 2 - QE MET 21 - HB2 ASN 90 lone 1 62 - 2 - HG3 GLU 33 - HB2 ASN 90 lone 1 62 - 1 - HA ALA 75 - HB2 ASN 90 lone 1 61 - 1 - HB3 GLU 77 - HB2 ASN 90 lone 1 57 - 1 - HG3 GLN 55 - HB2 ASN 90 lone 0 46 - 1 - HB2 GLN 55 - HB2 ASN 90 lone 0 45 - 1 - Peak 4335 from cnoeabs.peaks (2.15, 2.86, 38.54 ppm; 4.18 A): 3 out of 12 assignments used, quality = 0.99: HB3 MET 21 + HB3 ASN 18 OK 88 100 - 88 - 4434=14, 1520/3.5=14...(28) HB3 MET 21 + HB2 ASN 18 OK 88 100 - 88 - 4434=14, 1520/3.5=14...(28) HB3 MET 21 + HB3 ASN 24 OK 66 90 - 73 - ~4157=17, ~4158=13...(15) HG2 GLN 55 - HB2 ASN 18 OK 16 89 - 18 - 4320/3.9=2, 6089/3.5=1...(6) HG2 GLN 55 - HB3 ASN 18 OK 16 89 - 18 - 4320/3.9=2, 6089/3.5=1...(6) HB VAL 52 - HB3 ASN 18 lone 6 95 - 6 - 4320/3.9=2 HB VAL 52 - HB2 ASN 18 lone 6 94 - 6 - 4320/3.9=2 HG2 GLN 55 - HB3 ASN 24 lone 5 75 - 7 - 1509/4159=1 HB VAL 52 - HB3 ASN 24 lone 3 81 - 4 - HB3 MET 21 - HB2 ASN 90 lone 1 62 - 2 - HG2 GLN 55 - HB2 ASN 90 lone 1 49 - 2 - HB VAL 52 - HB2 ASN 90 lone 1 54 - 1 - Peak 4336 from cnoeabs.peaks (0.73, 2.86, 38.54 ppm; 4.25 A): 8 out of 28 assignments used, quality = 1.00: QG2 VAL 20 + HB3 ASN 18 OK 58 100 - 58 - 3840/3.5=11, ~3839=7...(17) QG2 VAL 20 + HB2 ASN 18 OK 58 100 - 58 - 3840/3.5=11, ~3839=7...(17) QG1 VAL 20 + HB3 ASN 18 OK 55 93 - 59 - 3839/3.5=11, ~3840=7...(18) QG1 VAL 20 + HB2 ASN 18 OK 55 93 - 59 - 3839/3.5=11, ~3840=7...(18) QG1 VAL 20 + HB3 ASN 24 OK 49 80 - 62 - 4406/3.5=25, 4414/3.7=21...(9) QG2 VAL 20 + HB3 ASN 24 OK 48 90 - 54 - ~4406=16, 4497/3.5=7...(11) QD1 LEU 12 + HB3 ASN 18 OK 47 93 - 50 - ~4258=21, 4267/4.8=14...(8) QD1 LEU 12 + HB2 ASN 18 OK 47 93 - 50 - ~4258=21, 4267/4.8=14...(8) QD1 LEU 12 - HB3 ASN 24 OK 27 80 - 34 - 2.1/4274=5, 4500/3.5=5...(15) QD1 LEU 79 - HB3 ASN 24 OK 27 89 - 30 - 4500/3.5=5, 4497/3.5=4...(10) QD2 LEU 76 - HB3 ASN 24 OK 23 76 - 30 - 5785/3.7=18, 5770/1.8=5 QD1 LEU 79 - HB3 ASN 18 OK 19 100 - 19 - 3406/4.8=5, 4361/4.8=3...(5) QD1 LEU 79 - HB2 ASN 18 OK 19 100 - 19 - 3406/4.8=5, 4361/4.8=3...(5) QD2 LEU 76 - HB3 ASN 18 OK 11 90 - 12 - 4329/3.5=2, 4361/4.8=1 QD2 LEU 76 - HB2 ASN 18 OK 11 90 - 12 - 4329/3.5=2, 4361/4.8=1 HG2 LYS 26 - HB3 ASN 24 poor 9 76 - 12 - 4489/3.7=3, 4504/4.6=1...(4) HG2 LYS 26 - HB3 ASN 18 lone 6 90 - 7 - 4361/4.8=1 HG2 LYS 26 - HB2 ASN 18 lone 6 90 - 7 - 4361/4.8=1 HG3 LYS 64 - HB3 ASN 24 lone 4 55 - 8 - 4.8/287=3 HG3 LYS 64 - HB3 ASN 18 lone 3 68 - 5 - HG3 LYS 64 - HB2 ASN 18 lone 3 68 - 5 - QG2 VAL 20 - HB2 ASN 90 lone 2 62 - 3 - QG1 VAL 20 - HB2 ASN 90 lone 2 53 - 3 - HG3 LYS 64 - HB2 ASN 90 lone 2 35 - 4 - QD2 LEU 76 - HB2 ASN 90 lone 1 50 - 3 - QD1 LEU 79 - HB2 ASN 90 lone 1 61 - 2 - QD1 LEU 12 - HB2 ASN 90 lone 1 53 - 2 - HG2 LYS 26 - HB2 ASN 90 lone 1 50 - 1 - Peak 4337 from cnoeabs.peaks (3.79, 2.86, 38.54 ppm; 5.10 A): 2 out of 16 assignments used, quality = 1.00: HD3 PRO 19 + HB3 ASN 18 OK 100 100 - 100 - 4.8=100 HD3 PRO 19 + HB2 ASN 18 OK 100 100 - 100 - 4.8=100 HD2 PRO 84 - HB3 ASN 18 OK 25 73 - 34 - 1443/4.8=10, 4346/3.0=6...(10) HD2 PRO 84 - HB2 ASN 18 OK 25 73 - 34 - 1443/4.8=10, 4346/3.0=6...(10) HD3 PRO 19 - HB3 ASN 24 OK 20 90 - 22 - 3.8/1426=4, 4347/3.0=3...(7) HA ALA 67 - HB3 ASN 18 OK 13 98 - 14 - 1443/4.8=5, 4321/3.9=2...(4) HA ALA 67 - HB2 ASN 18 OK 13 98 - 14 - 1443/4.8=5, 4321/3.9=2...(4) HA ALA 67 - HB3 ASN 24 lone 4 86 - 5 - 4186/798=1 HD2 PRO 84 - HB3 ASN 24 lone 4 60 - 6 - HA2 GLY 40 - HB3 ASN 18 lone 3 71 - 4 - HA2 GLY 40 - HB2 ASN 18 lone 3 71 - 4 - HD3 PRO 19 - HB2 ASN 90 lone 2 62 - 3 - HA2 GLY 40 - HB2 ASN 90 lone 2 37 - 4 - ~3691=1 HA2 GLY 40 - HB3 ASN 24 lone 1 58 - 2 - HA ALA 67 - HB2 ASN 90 lone 1 58 - 2 - HD2 PRO 84 - HB2 ASN 90 lone 1 38 - 2 - Peak 4338 from cnoeabs.peaks (4.01, 2.86, 38.54 ppm; 4.70 A): 2 out of 16 assignments used, quality = 1.00: HD2 PRO 19 + HB3 ASN 18 OK 95 97 - 98 - 4.8=91, 4344/3.0=40...(13) HD2 PRO 19 + HB2 ASN 18 OK 95 97 - 98 - 4.8=91, 4344/3.0=40...(13) HA PRO 19 - HB3 ASN 18 OK 25 71 - 35 - 1456/4.8=15, 3.6/4357=9...(4) HA PRO 19 - HB2 ASN 18 OK 25 71 - 35 - 1456/4.8=15, 3.6/4357=9...(4) HA LEU 79 - HB3 ASN 24 OK 16 88 - 19 - 4096/3.5=5, ~4097=3...(6) HA LEU 79 - HB3 ASN 18 OK 16 99 - 16 - 1449/4.8=5, 4322/3.9=3 HA LEU 79 - HB2 ASN 18 OK 15 99 - 16 - 1449/4.8=5, 4322/3.9=3 HD2 PRO 19 - HB3 ASN 24 OK 15 84 - 18 - 3.8/1426=3, 4345/3.0=3...(7) HA PRO 19 - HB3 ASN 24 poor 8 58 - 13 - 4.8/1426=3, 3.5/4385=2...(4) HB3 SER 62 - HB3 ASN 24 lone 6 62 - 10 - 4.3/798=6, ~4158=1 HB3 SER 62 - HB3 ASN 18 lone 4 76 - 5 - 4.3/798=2 HB3 SER 62 - HB2 ASN 18 lone 4 76 - 5 - 4.3/798=2 HD2 PRO 19 - HB2 ASN 90 lone 1 56 - 2 - HA PRO 19 - HB2 ASN 90 lone 1 37 - 3 - HA LEU 79 - HB2 ASN 90 lone 1 60 - 2 - HB3 SER 62 - HB2 ASN 90 lone 1 40 - 1 - Peak 4339 from cnoeabs.peaks (4.44, 2.86, 38.54 ppm; 5.57 A): 5 out of 16 assignments used, quality = 0.88: HA LYS 17 + HB3 ASN 18 OK 58 98 - 60 - 43/3.9=35, 1337/1.8=7...(15) HA LYS 17 + HB2 ASN 18 OK 58 98 - 60 - 43/3.9=35, 1337/1.8=7...(15) HA LYS 17 + HB3 ASN 24 OK 11 86 - 13 - 4.8/1426=3, 3.6/1431=2, 1338=1 HA GLN 55 + HB2 ASN 18 OK 11 71 - 15 - 3.8/4335=2, ~5190=2...(4) HA GLN 55 + HB3 ASN 18 OK 11 71 - 15 - 3.8/4335=2, ~5190=2...(4) HA3 GLY 59 - HB2 ASN 18 lone 7 100 - 7 - 43/3.9=4 HA3 GLY 59 - HB3 ASN 18 lone 7 100 - 7 - 43/3.9=4 HA GLN 55 - HB3 ASN 24 lone 4 58 - 8 - ~5178=2 HA LYS 17 - HB2 ASN 90 lone 3 58 - 5 - HA3 GLY 59 - HB3 ASN 24 lone 3 89 - 3 - HA PRO 81 - HB3 ASN 18 lone 2 60 - 3 - HA PRO 81 - HB2 ASN 18 lone 2 60 - 3 - HA PRO 81 - HB3 ASN 24 lone 2 48 - 3 - HA3 GLY 59 - HB2 ASN 90 lone 1 61 - 2 - HA GLN 55 - HB2 ASN 90 lone 1 37 - 2 - HA PRO 81 - HB2 ASN 90 lone 1 30 - 2 - Peak 4340 from cnoeabs.peaks (7.91, 4.02, 50.75 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.73: HD21 ASN 18 + HD2 PRO 19 OK 73 90 - 81 - 4.6/4344=44, 6066/1.8=23...(8) H HIS 15 - HD2 PRO 19 lone 2 63 - 4 - Peak 4341 from cnoeabs.peaks (7.13, 3.79, 50.75 ppm; 5.57 A): 2 out of 6 assignments used, quality = 0.93: HD22 ASN 18 + HD3 PRO 19 OK 83 99 - 84 - 4.6/4346=35, ~4340=27...(14) H MET 21 + HD3 PRO 19 OK 59 98 - 61 - 4.6/58=21, 4141/3.6=16...(11) HD22 ASN 18 - HD2 PRO 84 OK 20 70 - 29 - 1.7/6066=7, 4.6/4346=5...(9) H MET 21 - HD2 PRO 84 OK 17 69 - 24 - 4.6/58=8, 572/4.5=3...(7) QD PHE 57 - HD3 PRO 19 OK 11 68 - 16 - 4649/4.8=3, ~4660=3...(5) QD PHE 57 - HD2 PRO 84 lone 3 43 - 6 - ~4660=1 Peak 4342 from cnoeabs.peaks (8.36, 1.98, 32.46 ppm; 5.11 A): 4 out of 14 assignments used, quality = 0.95: H ALA 72 + HB2 PRO 19 OK 69 97 - 71 - 4.6/4343=12, 5667=9...(25) H ALA 72 + HB3 PRO 19 OK 68 97 - 70 - 4.6/4343=12, 5667=9...(23) H LEU 23 + HB2 PRO 19 OK 31 68 - 46 - 1028/4.9=14, 4486/3.5=11...(7) H LEU 23 + HB3 PRO 19 OK 31 67 - 46 - 1028/4.9=14, 4486/3.5=11...(7) H TYR 70 - HB2 PRO 19 OK 27 76 - 36 - 3.6/5577=10, 1060/3.0=9...(7) H TYR 70 - HB3 PRO 19 OK 23 75 - 31 - 3.6/5577=9, 1060/3.0=9...(5) H GLY 40 - HB2 PRO 19 OK 19 87 - 22 - 4791/3.5=8, 4147/2.3=3...(5) H GLY 40 - HB3 PRO 19 OK 19 86 - 22 - 4791/3.5=8, 4147/2.3=3...(5) H ARG 28 - HB2 PRO 19 OK 14 99 - 14 - 4.7/4343=3, 966/4343=3 H ARG 28 - HB3 PRO 19 OK 14 99 - 14 - 4.7/4343=3, 966/4343=2 H GLY 39 - HB2 PRO 19 lone 8 87 - 9 - 4.2/4370=3, 4147/2.3=2 H GLY 39 - HB3 PRO 19 lone 8 86 - 9 - 4.2/4370=3, 4147/2.3=2 H ASN 90 - HB2 PRO 19 lone 4 85 - 5 - 4149/4.9=1 H ASN 90 - HB3 PRO 19 lone 4 84 - 5 - 4149/4.9=1 Peak 4343 from cnoeabs.peaks (8.57, 1.98, 32.46 ppm; 4.29 A): 4 out of 4 assignments used, quality = 0.87: H LEU 73 + HB2 PRO 19 OK 58 100 - 58 - 4348/2.3=11, 6142=9...(16) H LEU 73 + HB3 PRO 19 OK 57 100 - 57 - 4348/2.3=11, 6142=9...(16) H GLY 29 + HB2 PRO 19 OK 17 95 - 18 - 4348/2.3=5, ~4369=2...(6) H GLY 29 + HB3 PRO 19 OK 16 94 - 17 - 4348/2.3=5, ~4369=2...(5) Peak 4344 from cnoeabs.peaks (4.86, 4.02, 50.75 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.94: HA ASN 18 + HD2 PRO 19 OK 94 99 - 95 - 3.8=89, 4346/1.8=34...(9) Peak 4345 from cnoeabs.peaks (4.62, 4.02, 50.75 ppm; 4.55 A): 6 out of 10 assignments used, quality = 0.83: HA LEU 12 + HD2 PRO 19 OK 54 97 - 56 - 4.0/4353=17, 4347/1.8=9...(11) HA THR 38 + HD2 PRO 19 OK 29 100 - 29 - 3.2/4350=6, 4347/1.8=5...(9) HA ASN 63 + HD2 PRO 19 OK 19 100 - 19 - 4.4/3830=4, 4347/1.8=4...(7) HA ASN 24 + HD2 PRO 19 OK 15 97 - 16 - 4347/1.8=3, 1623/4.8=3...(6) HA ASP 82 + HD2 PRO 19 OK 13 100 - 13 - 4347/1.8=3, ~389=3...(4) HA GLU 33 + HD2 PRO 19 OK 11 92 - 12 - 3911/4.8=3, 4347/1.8=2 HA ASP 43 - HD2 PRO 19 lone 5 96 - 6 - 3.6/3830=2 HA ARG 27 - HD2 PRO 19 lone 4 100 - 4 - HA LYS 31 - HD2 PRO 19 lone 2 83 - 3 - HA HIS 42 - HD2 PRO 19 lone 2 92 - 2 - Peak 4346 from cnoeabs.peaks (4.85, 3.79, 50.75 ppm; 3.37 A): 2 out of 2 assignments used, quality = 0.88: HA ASN 18 + HD3 PRO 19 OK 86 100 - 86 - 3.8=72, 4344/1.8=32...(10) HA ASN 18 + HD2 PRO 84 OK 12 73 - 17 - 3.8/1443=6, 4.8/1457=3...(7) Peak 4347 from cnoeabs.peaks (4.63, 3.79, 50.75 ppm; 3.96 A): 7 out of 20 assignments used, quality = 0.77: HA LEU 12 + HD3 PRO 19 OK 36 81 - 45 - 4.0/4267=12, 4.0/4271=12...(8) HA ASP 82 + HD2 PRO 84 OK 23 67 - 34 - 394/4.8=17, 4.9/5931=13...(6) HA THR 38 + HD3 PRO 19 OK 20 90 - 22 - 4345/1.8=5, 3.2/4359=4...(7) HA ASN 63 + HD3 PRO 19 OK 15 99 - 15 - 4345/1.8=3, 4.4/3831=3...(7) HA ASP 82 + HD3 PRO 19 OK 14 97 - 14 - 4.9/5931=4, 3.6/5929=3...(4) HA ASN 24 + HD3 PRO 19 OK 12 100 - 12 - 4345/1.8=3, 1623/4.8=2...(4) HA LEU 12 + HD2 PRO 84 OK 12 52 - 22 - 4.0/4271=5, ~4263=5...(8) HA GLU 33 - HD3 PRO 19 lone 9 100 - 9 - 3911/4.8=2, 4345/1.8=2 HA PHE 57 - HD3 PRO 19 lone 5 73 - 7 - 2699/4.8=2, 2.9/4321=1, ~4322=1 HA GLU 33 - HD2 PRO 84 lone 4 72 - 5 - 394/4.8=2 HA ASP 43 - HD3 PRO 19 lone 3 76 - 4 - 3.6/3831=1 HA ARG 27 - HD3 PRO 19 lone 3 97 - 3 - HA ASN 63 - HD2 PRO 84 lone 2 71 - 3 - HA ASN 24 - HD2 PRO 84 lone 2 73 - 2 - HA THR 38 - HD2 PRO 84 lone 2 60 - 3 - HA HIS 42 - HD3 PRO 19 lone 2 100 - 2 - HA ARG 27 - HD2 PRO 84 lone 1 67 - 2 - HA ASP 43 - HD2 PRO 84 lone 1 48 - 2 - HA HIS 42 - HD2 PRO 84 lone 1 72 - 1 - HA PHE 57 - HD2 PRO 84 lone 1 46 - 2 - Peak 4348 from cnoeabs.peaks (8.58, 1.87, 28.00 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.83: H LEU 73 + HG3 PRO 19 OK 76 98 - 77 - 4343/2.3=18, 4343/2.3=18...(14) H GLY 29 + HG3 PRO 19 OK 32 100 - 32 - 4343/2.3=5, 3.0/4369=5...(10) Peak 4349 from cnoeabs.peaks (1.38, 4.02, 50.75 ppm; 4.58 A): 4 out of 12 assignments used, quality = 0.99: HB3 LEU 12 + HD2 PRO 19 OK 79 100 - 80 - 3.1/4353=20, ~4267=17...(21) QB ALA 69 + HD2 PRO 19 OK 76 99 - 77 - 6188/1.8=27, 5574/2.3=14...(13) HB3 LYS 56 + HD2 PRO 19 OK 56 100 - 56 - 4377/2.3=7, 4379/2.3=7...(22) HD3 LYS 56 + HD2 PRO 19 OK 48 93 - 52 - ~4373=6, 4377/2.3=5...(21) QB ALA 67 - HD2 PRO 19 OK 44 99 - 45 - 3021/1.8=10, 2.1/1443=7...(10) HG2 LYS 68 - HD2 PRO 19 OK 30 97 - 31 - 4379/2.3=3, 4377/2.3=3...(13) HB2 LYS 64 - HD2 PRO 19 poor 10 89 - 11 - ~5428=2, 1197/4353=1...(4) HG2 LYS 44 - HD2 PRO 19 lone 9 98 - 9 - 4.7/3830=2, 4377/2.3=1 QB ALA 89 - HD2 PRO 19 lone 2 76 - 2 - HG2 LYS 91 - HD2 PRO 19 lone 2 63 - 3 - HG3 LYS 91 - HD2 PRO 19 lone 2 63 - 3 - HG2 LYS 31 - HD2 PRO 19 lone 1 60 - 2 - Peak 4350 from cnoeabs.peaks (1.10, 4.02, 50.75 ppm; 4.91 A): 4 out of 4 assignments used, quality = 0.87: QG2 THR 13 + HD2 PRO 19 OK 48 100 - 48 - 4359/1.8=10, 4374/2.3=10...(10) QG1 VAL 66 + HD2 PRO 19 OK 45 87 - 52 - 4359/1.8=11, ~5461=9...(17) QG2 THR 38 + HD2 PRO 19 OK 35 85 - 42 - 4374/2.3=9, 4364/3.6=7...(9) HG3 LYS 14 + HD2 PRO 19 OK 30 100 - 30 - 4374/2.3=6, 4359/1.8=6...(8) Peak 4351 from cnoeabs.peaks (0.86, 4.02, 50.75 ppm; 6.17 A): 5 out of 9 assignments used, quality = 0.91: QD2 LEU 73 + HD2 PRO 19 OK 53 78 - 68 - ~4376=11, 6147/2.3=11...(16) QB ALA 75 + HD2 PRO 19 OK 41 99 - 41 - 4365/3.6=9, ~4238=6...(9) QD1 LEU 76 + HD2 PRO 19 OK 38 85 - 45 - 4365/3.6=15, 4360/1.8=5...(12) HD2 LYS 26 + HD2 PRO 19 OK 34 96 - 35 - 4365/3.6=5, 4360/1.8=5...(13) QD2 LEU 30 + HD2 PRO 19 OK 22 99 - 22 - 4365/3.6=4, 4360/1.8=3...(8) QD2 LEU 85 - HD2 PRO 19 OK 19 71 - 27 - 5960/4340=3, ~5958=3...(10) QD1 LEU 85 - HD2 PRO 19 OK 18 63 - 29 - ~4375=4, 4365/3.6=4...(11) QD2 LEU 87 - HD2 PRO 19 OK 16 87 - 19 - 5960/4340=3, ~5958=2...(8) QG2 VAL 47 - HD2 PRO 19 OK 13 81 - 17 - ~4375=3, 4360/1.8=2...(4) Peak 4352 from cnoeabs.peaks (0.75, 4.02, 50.75 ppm; 5.35 A): 4 out of 7 assignments used, quality = 0.99: QD1 LEU 12 + HD2 PRO 19 OK 88 99 - 90 - 4267/1.8=36, 2.1/4353=31...(20) QD1 LEU 79 + HD2 PRO 19 OK 63 89 - 71 - 3.1/3385=11, 3.1/3392=11...(19) QG1 VAL 20 + HD2 PRO 19 OK 63 99 - 64 - 4.0/57=25, 4366/3.6=6...(19) QD1 LEU 73 + HD2 PRO 19 OK 49 78 - 63 - ~4375=12, ~6147=11...(15) QG2 VAL 20 - HD2 PRO 19 OK 44 73 - 59 - 4.0/57=25, 4366/3.6=6...(20) HG2 LYS 26 - HD2 PRO 19 OK 31 99 - 31 - 3.0/4351=4, ~4375=3...(12) QD1 LEU 30 - HD2 PRO 19 OK 17 90 - 19 - 2.1/4351=3, 4376/2.3=3...(7) Peak 4353 from cnoeabs.peaks (0.67, 4.02, 50.75 ppm; 4.86 A): 2 out of 3 assignments used, quality = 0.92: QD2 LEU 12 + HD2 PRO 19 OK 88 97 - 90 - 4258/3.8=36, 4271/1.8=25...(23) QD1 ILE 35 + HD2 PRO 19 OK 30 81 - 37 - 4362/1.8=6, ~4375=4...(18) QG1 VAL 50 - HD2 PRO 19 lone 7 73 - 10 - 4318/4.8=2, 5017/3.6=1, ~5021=1 Peak 4355 from cnoeabs.peaks (1.59, 4.02, 50.75 ppm; 6.10 A): 3 out of 11 assignments used, quality = 0.95: HB2 LEU 12 + HD2 PRO 19 OK 88 97 - 91 - 3.1/4353=31, ~4267=28...(19) HB2 LYS 68 + HD2 PRO 19 OK 37 93 - 40 - 2.9/4349=4, 3042/3.0=3...(15) HD2 LYS 14 + HD2 PRO 19 OK 28 100 - 28 - 3.0/4350=9, ~4359=5...(5) HD3 LYS 14 - HD2 PRO 19 OK 28 99 - 28 - 3.0/4350=9, ~4359=5...(5) HB3 LEU 85 - HD2 PRO 19 OK 22 100 - 22 - ~4375=3, ~5958=3...(8) HG LEU 85 - HD2 PRO 19 OK 21 90 - 23 - ~4375=4, ~5958=3...(8) HB2 LEU 87 - HD2 PRO 19 OK 12 97 - 12 - 3.1/4351=2, ~4375=2...(4) HD3 LYS 65 - HD2 PRO 19 OK 11 99 - 12 - 1196/4353=2, 3.0/4356=1 HG LEU 87 - HD2 PRO 19 OK 11 81 - 13 - 2.1/4351=3, ~4375=2...(5) HD2 LYS 65 - HD2 PRO 19 OK 11 97 - 11 - 1196/4353=2, 3.0/4356=1 HG LEU 23 - HD2 PRO 19 lone 7 78 - 9 - ~4376=2 Peak 4356 from cnoeabs.peaks (2.88, 4.02, 50.75 ppm; 5.04 A): 2 out of 10 assignments used, quality = 0.99: HB3 ASN 18 + HD2 PRO 19 OK 92 92 - 100 - 4.8=100 HB2 ASN 18 + HD2 PRO 19 OK 90 90 - 100 - 4.8=100 HB3 ASN 63 - HD2 PRO 19 OK 19 95 - 20 - 3.5/3830=6, 3.0/4345=5...(5) HB3 ASN 24 - HD2 PRO 19 OK 17 87 - 20 - 3.0/4345=4, 1432/3.8=3...(6) HE3 LYS 17 - HD2 PRO 19 OK 16 85 - 18 - 7.2/3830=4, 563/4.8=3...(8) HE2 LYS 17 - HD2 PRO 19 OK 11 60 - 18 - 7.2/3830=4, 563/4.8=3...(7) HE2 LYS 65 - HD2 PRO 19 lone 7 99 - 7 - 3.0/4355=1 HB3 TYR 32 - HD2 PRO 19 lone 7 85 - 8 - 563/4.8=1, ~4605=1 HE3 LYS 65 - HD2 PRO 19 lone 6 97 - 6 - 3.0/4355=1 HB2 ASP 53 - HD2 PRO 19 lone 4 78 - 5 - 3982/4.8=1 Peak 4357 from cnoeabs.peaks (2.85, 3.79, 50.75 ppm; 4.63 A): 2 out of 18 assignments used, quality = 1.00: HB2 ASN 18 + HD3 PRO 19 OK 97 100 - 97 - 4.8=87, 3.0/4346=37...(14) HB3 ASN 18 + HD3 PRO 19 OK 97 99 - 97 - 4.8=87, 3.0/4346=37...(14) HB2 ASN 18 - HD2 PRO 84 OK 22 72 - 30 - 4.8/1443=9, 3.0/4346=5...(9) HB3 ASN 18 - HD2 PRO 84 OK 21 71 - 30 - 4.8/1443=9, 3.0/4346=5...(9) HB3 ASN 24 - HD3 PRO 19 OK 19 100 - 19 - 1426/3.8=3, 3.0/4347=3...(7) HB3 ASN 63 - HD3 PRO 19 OK 18 99 - 18 - 3.5/3831=4, 3.0/4347=3...(6) HE3 LYS 17 - HD3 PRO 19 OK 16 100 - 16 - 562/4.8=3, 1421/3.8=2...(7) HE2 LYS 17 - HD3 PRO 19 OK 15 99 - 15 - 562/4.8=3, 1421/3.8=2...(6) HB3 TYR 32 - HD3 PRO 19 lone 7 100 - 7 - 562/4.8=1 HB3 TYR 32 - HD2 PRO 84 lone 4 73 - 6 - HB3 ASN 24 - HD2 PRO 84 lone 4 73 - 5 - HE2 LYS 65 - HD3 PRO 19 lone 4 65 - 5 - HB3 ASN 63 - HD2 PRO 84 lone 3 70 - 4 - HE3 LYS 17 - HD2 PRO 84 lone 3 73 - 4 - HE2 LYS 17 - HD2 PRO 84 lone 2 70 - 3 - HB2 ASN 90 - HD3 PRO 19 lone 2 78 - 3 - HB2 ASN 90 - HD2 PRO 84 lone 1 50 - 2 - HE2 LYS 65 - HD2 PRO 84 lone 1 41 - 2 - Peak 4358 from cnoeabs.peaks (1.38, 3.79, 50.75 ppm; 3.87 A): 4 out of 24 assignments used, quality = 0.97: QB ALA 69 + HD3 PRO 19 OK 72 99 - 72 - 6188=23, 6186/1.8=12...(15) HB3 LEU 12 + HD3 PRO 19 OK 64 100 - 64 - 3.1/4267=14, 3.1/4271=14...(15) QB ALA 67 + HD3 PRO 19 OK 47 99 - 47 - 3021=9, 2.9/827=7...(17) HB3 LYS 56 + HD3 PRO 19 OK 45 100 - 45 - 4377/2.3=5, 4379/2.3=5...(20) HD3 LYS 56 - HD3 PRO 19 OK 38 93 - 41 - ~4373=4, 4377/2.3=4...(19) HG2 LYS 68 - HD3 PRO 19 OK 27 97 - 28 - 4.9/316=3, 4379/2.3=3...(9) HB3 LEU 12 - HD2 PRO 84 OK 23 73 - 31 - 4263/1.8=7, 3.1/4271=6...(7) HG2 LYS 68 - HD2 PRO 84 OK 21 67 - 32 - ~5951=3, 5551/2.3=2...(16) QB ALA 67 - HD2 PRO 84 OK 19 70 - 26 - 3021=5, 2.9/827=3...(12) QB ALA 69 - HD2 PRO 84 OK 17 71 - 23 - 3.6/1060=4, 2.9/1053=3...(7) HB2 LYS 64 - HD3 PRO 19 lone 9 89 - 10 - HG2 LYS 44 - HD3 PRO 19 lone 8 98 - 8 - HB3 LYS 56 - HD2 PRO 84 lone 5 73 - 7 - HD3 LYS 56 - HD2 PRO 84 lone 3 63 - 5 - HB2 LYS 64 - HD2 PRO 84 lone 3 59 - 5 - HG2 LYS 44 - HD2 PRO 84 lone 2 69 - 3 - QB ALA 89 - HD3 PRO 19 lone 2 76 - 2 - HG2 LYS 91 - HD3 PRO 19 lone 2 63 - 2 - HG3 LYS 91 - HD3 PRO 19 lone 2 63 - 2 - HG2 LYS 31 - HD3 PRO 19 lone 1 60 - 1 - QB ALA 89 - HD2 PRO 84 lone 1 48 - 2 - HG3 LYS 91 - HD2 PRO 84 lone 1 39 - 2 - HG2 LYS 91 - HD2 PRO 84 lone 1 39 - 2 - HG2 LYS 31 - HD2 PRO 84 lone 0 37 - 1 - Peak 4359 from cnoeabs.peaks (1.10, 3.79, 50.75 ppm; 4.86 A): 5 out of 8 assignments used, quality = 0.91: QG1 VAL 66 + HD3 PRO 19 OK 54 87 - 62 - 4350/1.8=11, 2.1/5461=11...(22) QG2 THR 13 + HD3 PRO 19 OK 49 100 - 49 - 4350/1.8=12, 4374/2.3=9...(11) QG2 THR 38 + HD3 PRO 19 OK 37 85 - 43 - 4350/1.8=9, 4374/2.3=9...(9) HG3 LYS 14 + HD3 PRO 19 OK 30 100 - 29 - 4350/1.8=8, 4374/2.3=6...(7) QG1 VAL 66 + HD2 PRO 84 OK 13 57 - 22 - 4.3/827=3, 4696/4691=2...(7) QG2 THR 13 - HD2 PRO 84 poor 9 72 - 12 - 4350/1443=1, 4374/1485=1 HG3 LYS 14 - HD2 PRO 84 lone 7 73 - 9 - 1257/4.2=1, 1254/4.5=1 QG2 THR 38 - HD2 PRO 84 lone 4 55 - 6 - 4350/1443=1 Peak 4360 from cnoeabs.peaks (0.86, 3.79, 50.75 ppm; 5.24 A): 6 out of 18 assignments used, quality = 0.89: QD2 LEU 73 + HD3 PRO 19 OK 48 78 - 62 - 6147/2.3=11, ~4376=9...(17) QB ALA 75 + HD3 PRO 19 OK 35 99 - 35 - 4365/3.6=8, ~4238=5...(8) QD1 LEU 76 + HD3 PRO 19 OK 33 85 - 38 - 4365/3.6=13, 6048/1.8=5...(9) HD2 LYS 26 + HD3 PRO 19 OK 30 96 - 31 - 4365/3.6=4, 4351/1.8=4...(11) QD2 LEU 30 + HD3 PRO 19 OK 18 99 - 18 - 4365/3.6=3, 4351/1.8=3...(7) QD2 LEU 73 + HD2 PRO 84 OK 17 50 - 35 - 5714/3.6=6, 6147/3.0=6...(15) QG2 VAL 47 - HD3 PRO 19 OK 15 81 - 19 - 4.3/4872=4, ~4375=2...(5) QD1 LEU 85 - HD3 PRO 19 OK 15 63 - 23 - 4365/3.6=3, ~4375=3...(11) QG2 VAL 47 - HD2 PRO 84 OK 15 52 - 28 - ~6192=5, 4.3/4872=4...(10) QD2 LEU 85 - HD3 PRO 19 OK 13 71 - 19 - ~5958=3, 4375/2.3=2...(8) HD2 LYS 26 - HD2 PRO 84 OK 13 66 - 20 - 5936/4.5=8, 1723/4.2=3, ~5951=2 QD2 LEU 87 - HD3 PRO 19 OK 12 87 - 13 - 4351/1.8=2, ~5958=2...(4) QB ALA 75 - HD2 PRO 84 poor 9 71 - 13 - 5936/4.5=3, 5955/3.6=2...(5) QD1 LEU 76 - HD2 PRO 84 poor 9 55 - 16 - 5936/4.5=3, 5955/3.6=2...(4) QD1 LEU 85 - HD2 PRO 84 poor 8 39 - 20 - 5955/3.6=12, 5958/3.0=4 QD2 LEU 30 - HD2 PRO 84 lone 5 71 - 7 - 5955/3.6=1, 5936/4.5=1 QD2 LEU 87 - HD2 PRO 84 lone 4 57 - 8 - ~5958=2 QD2 LEU 85 - HD2 PRO 84 lone 4 44 - 9 - ~5958=4 Peak 4361 from cnoeabs.peaks (0.73, 3.79, 50.75 ppm; 4.55 A): 4 out of 14 assignments used, quality = 0.97: QD1 LEU 12 + HD3 PRO 19 OK 73 93 - 78 - 4267=28, 2.1/4271=22...(19) QD1 LEU 79 + HD3 PRO 19 OK 57 100 - 57 - 3406/1.8=11, ~3413=8...(17) QG2 VAL 20 + HD3 PRO 19 OK 55 100 - 55 - 4.0/58=17, 4.3/4341=6...(21) QG1 VAL 20 + HD3 PRO 19 OK 49 93 - 53 - 4.0/58=17, 4.3/4341=6...(18) QD1 LEU 12 - HD2 PRO 84 OK 26 63 - 41 - 4268/1.8=10, 2.1/4271=10...(7) QD2 LEU 76 - HD3 PRO 19 OK 26 90 - 29 - ~6048=4, 2.1/4360=3...(8) HG2 LYS 26 - HD3 PRO 19 OK 21 90 - 23 - 4366/3.6=3, 3.0/4360=3...(10) QG2 VAL 20 - HD2 PRO 84 OK 18 73 - 25 - 4.0/58=7, ~4150=2...(8) QG1 VAL 20 - HD2 PRO 84 OK 15 63 - 24 - 4.0/58=7, ~4150=2...(7) HG2 LYS 26 - HD2 PRO 84 poor 8 60 - 13 - 1699/4.5=3, 1703/4.2=2...(4) HG3 LYS 64 - HD3 PRO 19 lone 6 68 - 10 - 4.1/5428=1 QD2 LEU 76 - HD2 PRO 84 lone 6 60 - 10 - 6114/4.2=1 QD1 LEU 79 - HD2 PRO 84 lone 5 72 - 7 - 3406/1443=1 HG3 LYS 64 - HD2 PRO 84 lone 2 43 - 5 - Peak 4362 from cnoeabs.peaks (0.66, 3.79, 50.75 ppm; 4.61 A): 3 out of 4 assignments used, quality = 0.96: QD2 LEU 12 + HD3 PRO 19 OK 88 99 - 89 - 4258/3.8=34, 4271=30...(19) QD1 ILE 35 + HD2 PRO 84 OK 49 72 - 69 - 4743/3.0=16, 2146/3.6=11...(24) QD1 ILE 35 + HD3 PRO 19 OK 36 100 - 36 - 4353/1.8=7, ~4375=4...(17) QD2 LEU 12 - HD2 PRO 84 OK 35 71 - 48 - 4271=14, 4272/1.8=10...(10) Peak 4363 from cnoeabs.peaks (1.49, 3.99, 64.88 ppm; 4.78 A): 4 out of 14 assignments used, quality = 0.93: QB ALA 72 + HA PRO 19 OK 63 100 - 63 - 5693/3.5=21, 5681/2.3=9...(16) HG LEU 79 + HA PRO 19 OK 54 90 - 60 - 4.3/1456=12, 2.1/4366=8...(16) HB2 LYS 56 + HA PRO 19 OK 43 97 - 44 - 2.9/4364=8, 4378/3.8=5...(12) HG LEU 34 + HA PRO 19 OK 24 73 - 33 - 2.1/4364=5, 2091/2.3=4...(11) HG LEU 12 - HA PRO 19 OK 22 63 - 35 - 2.1/4270=9, 2.1/4366=8...(7) HB3 LEU 76 - HA PRO 19 OK 19 60 - 31 - 3.1/4365=14, 3.1/4366=4...(5) HD2 LYS 17 - HA PRO 19 OK 17 87 - 20 - 4384/3.5=4, 6.1/3832=4...(6) HD3 LYS 17 - HA PRO 19 OK 17 87 - 20 - 4384/3.5=4, 6.1/3832=4...(6) HB3 LYS 26 - HA PRO 19 OK 17 65 - 26 - 3.6/4365=4, 2.9/4366=3...(11) QB ALA 71 - HA PRO 19 OK 16 60 - 28 - 4380/3.8=3, 4384/3.5=2...(13) HB2 LEU 85 - HA PRO 19 OK 12 78 - 15 - 3.1/4365=3, 4.3/4142=2...(5) HG2 GLU 37 - HA PRO 19 OK 11 97 - 11 - 2185/3.8=2, 4380/3.8=1 HG3 ARG 27 - HA PRO 19 lone 4 65 - 6 - HB2 ARG 45 - HA PRO 19 lone 3 87 - 4 - Peak 4364 from cnoeabs.peaks (1.09, 3.99, 64.88 ppm; 3.65 A): 6 out of 6 assignments used, quality = 0.75: QG2 THR 13 + HA PRO 19 OK 29 92 - 32 - 4277=8, 4350/3.6=4...(8) QG2 THR 38 + HA PRO 19 OK 25 99 - 25 - 4374/3.8=4, 4277=4...(8) HG2 LYS 56 + HA PRO 19 OK 23 83 - 28 - 4373/3.8=5, 4374/3.8=4...(11) QG1 VAL 66 + HA PRO 19 OK 17 60 - 29 - 4277=6, 4350/3.6=4...(8) HG3 LYS 14 + HA PRO 19 OK 16 97 - 16 - 4350/3.6=3, 4374/3.8=3...(6) QD2 LEU 34 + HA PRO 19 OK 13 65 - 20 - 4373/3.8=3, 4370/2.3=3...(9) Peak 4365 from cnoeabs.peaks (0.87, 3.99, 64.88 ppm; 3.54 A): 3 out of 9 assignments used, quality = 0.53: QD1 LEU 76 + HA PRO 19 OK 33 99 - 34 - 6048=14, 4371/2.3=4...(8) QB ALA 75 + HA PRO 19 OK 20 100 - 20 - 4371/2.3=3, 4371/2.3=3...(7) HD2 LYS 26 + HA PRO 19 OK 11 76 - 15 - 4371/2.3=2, 4371/2.3=2...(6) HD3 LYS 26 - HA PRO 19 poor 9 71 - 13 - 4371/2.3=2, 4371/2.3=2...(4) QD1 LEU 85 - HA PRO 19 lone 8 89 - 9 - 4371/2.3=2, 4371/2.3=2 QD2 LEU 30 - HA PRO 19 lone 8 100 - 8 - 4371/2.3=1, 4371/2.3=1 QD1 LEU 87 - HA PRO 19 lone 5 83 - 6 - 4.8/4142=2 HB3 LEU 30 - HA PRO 19 lone 4 71 - 5 - QD2 LEU 87 - HA PRO 19 lone 3 60 - 6 - 4.8/4142=2 Peak 4366 from cnoeabs.peaks (0.74, 3.99, 64.88 ppm; 4.64 A): 4 out of 6 assignments used, quality = 0.96: QD1 LEU 79 + HA PRO 19 OK 60 100 - 60 - 4.0/1456=12, 3406=9...(15) QD1 LEU 12 + HA PRO 19 OK 55 99 - 56 - 4267/3.6=23, 2.1/4270=9...(12) QG2 VAL 20 + HA PRO 19 OK 54 99 - 55 - 1501/3.5=23, 4.3/4141=10...(15) QG1 VAL 20 + HA PRO 19 OK 53 99 - 54 - 1496/3.5=20, 4.3/4141=10...(15) QD2 LEU 76 - HA PRO 19 OK 31 78 - 40 - 2.1/4365=15, ~4371=4...(9) HG2 LYS 26 - HA PRO 19 OK 28 97 - 28 - 3.0/4365=5, 3.0/4365=4...(10) Peak 4368 from cnoeabs.peaks (3.89, 1.98, 32.46 ppm; 3.78 A): 5 out of 10 assignments used, quality = 0.96: HA GLU 22 + HB2 PRO 19 OK 54 100 - 54 - 4164=8, 4386/3.5=8...(18) HA GLU 22 + HB3 PRO 19 OK 54 100 - 54 - 4164=8, 4386/3.5=8...(18) HA ALA 69 + HB2 PRO 19 OK 46 71 - 65 - 6190/3.5=10, 4369/2.3=9...(20) HA ALA 69 + HB3 PRO 19 OK 44 70 - 64 - 6190/3.5=10, 4369/2.3=9...(19) HA LEU 73 + HB2 PRO 19 OK 42 85 - 49 - 3.0/4343=10, ~4348=6...(17) HA LEU 73 - HB3 PRO 19 OK 40 84 - 48 - 3.0/4343=9, ~4343=6...(17) HA GLU 77 - HB2 PRO 19 OK 19 76 - 25 - 4369/2.3=3, 4386/3.5=3...(7) HA GLU 77 - HB3 PRO 19 OK 19 75 - 25 - 4369/2.3=3, 3.6/882=3...(7) HA3 GLY 29 - HB2 PRO 19 OK 11 76 - 14 - 3.0/4343=3, ~4348=3...(6) HA3 GLY 29 - HB3 PRO 19 OK 10 75 - 14 - 3.0/4343=3, ~4348=3...(5) Peak 4369 from cnoeabs.peaks (3.88, 1.87, 28.00 ppm; 4.57 A): 4 out of 4 assignments used, quality = 0.92: HA ALA 69 + HG3 PRO 19 OK 78 98 - 79 - ~6188=16, 5576=16...(16) HA GLU 22 + HG3 PRO 19 OK 42 96 - 44 - 4386/4.9=8, 4164/2.3=7...(15) HA GLU 77 + HG3 PRO 19 OK 24 99 - 25 - 3.6/883=5, 4386/4.9=3...(8) HA3 GLY 29 + HG3 PRO 19 OK 17 99 - 17 - 3.0/4348=6, ~4343=2...(6) Peak 4370 from cnoeabs.peaks (1.08, 1.98, 32.46 ppm; 4.16 A): 6 out of 10 assignments used, quality = 0.96: HG2 LYS 56 + HB3 PRO 19 OK 51 92 - 56 - 4373/2.3=9, 4364/2.3=7...(22) HG2 LYS 56 + HB2 PRO 19 OK 51 91 - 56 - 4373/2.3=9, 4364/2.3=7...(22) QD2 LEU 34 + HB3 PRO 19 OK 37 78 - 48 - 4373/2.3=6, 2.1/2091=4...(20) QD2 LEU 34 + HB2 PRO 19 OK 37 77 - 47 - 4373/2.3=6, 4364/2.3=4...(20) QG2 THR 38 + HB3 PRO 19 OK 34 100 - 34 - 4364/2.3=8, 4374/2.3=7...(9) QG2 THR 38 + HB2 PRO 19 OK 34 100 - 34 - 4364/2.3=8, 4374/2.3=7...(9) QG2 THR 13 - HB3 PRO 19 OK 30 83 - 36 - 4364/2.3=9, 4374/2.3=7...(7) QG2 THR 13 - HB2 PRO 19 OK 29 82 - 36 - 4364/2.3=9, 4374/2.3=7...(7) HG3 LYS 14 - HB3 PRO 19 OK 20 90 - 21 - 4364/2.3=5, 4374/2.3=5...(6) HG3 LYS 14 - HB2 PRO 19 OK 19 90 - 21 - 4364/2.3=5, 4374/2.3=5...(6) Peak 4371 from cnoeabs.peaks (0.87, 1.98, 32.46 ppm; 3.48 A): 10 out of 18 assignments used, quality = 0.85: QD1 LEU 76 + HB3 PRO 19 OK 25 99 - 25 - 4365/2.3=10, 6048/3.0=3...(5) QD1 LEU 76 + HB2 PRO 19 OK 25 98 - 25 - 4365/2.3=10, 6048/3.0=3...(5) QB ALA 75 + HB3 PRO 19 OK 23 100 - 23 - 4365/2.3=6, 2.1/4236=5...(6) QB ALA 75 + HB2 PRO 19 OK 23 100 - 23 - 4365/2.3=6, 2.1/4236=5...(6) HD2 LYS 26 + HB3 PRO 19 OK 14 76 - 18 - 4365/2.3=3, ~4365=2...(6) HD3 LYS 26 + HB3 PRO 19 OK 14 71 - 19 - 4365/2.3=3, ~4365=2...(7) HD2 LYS 26 + HB2 PRO 19 OK 14 75 - 18 - 4365/2.3=3, ~4365=2...(6) HD3 LYS 26 + HB2 PRO 19 OK 13 70 - 19 - 4365/2.3=3, ~4365=2...(7) QD1 LEU 85 + HB3 PRO 19 OK 11 89 - 13 - 4365/2.3=2, 5958/2.3=2, ~4375=1 QD1 LEU 85 + HB2 PRO 19 OK 11 88 - 13 - 4365/2.3=2, 5958/2.3=2, ~4375=1 QD2 LEU 30 - HB2 PRO 19 lone 10 100 - 10 - 4365/2.3=2, ~4376=1 QD2 LEU 30 - HB3 PRO 19 lone 10 100 - 10 - 4365/2.3=2, ~4376=1 QD1 LEU 87 - HB2 PRO 19 lone 6 82 - 7 - 4365/2.3=2 QD1 LEU 87 - HB3 PRO 19 lone 6 83 - 7 - 4365/2.3=2 HB3 LEU 30 - HB3 PRO 19 lone 6 71 - 8 - 4365/2.3=1 HB3 LEU 30 - HB2 PRO 19 lone 6 70 - 8 - 4365/2.3=1 QD2 LEU 87 - HB2 PRO 19 lone 3 59 - 6 - 4365/2.3=1 QD2 LEU 87 - HB3 PRO 19 lone 3 60 - 6 - 4365/2.3=1 Peak 4372 from cnoeabs.peaks (0.75, 1.98, 32.46 ppm; 3.90 A): 5 out of 14 assignments used, quality = 0.98: QD1 LEU 12 + HB3 PRO 19 OK 61 99 - 62 - 4267/3.0=18, ~4353=10...(18) QD1 LEU 12 + HB2 PRO 19 OK 61 98 - 62 - 4267/3.0=18, ~4353=10...(18) QG1 VAL 20 + HB3 PRO 19 OK 47 99 - 47 - 1496/3.5=15, 1489/4.9=8...(15) QG1 VAL 20 + HB2 PRO 19 OK 47 98 - 48 - 1496/3.5=15, 1489/4.9=8...(15) QD1 LEU 73 + HB2 PRO 19 OK 44 77 - 57 - 4.4/4343=7, ~4375=7...(21) QD1 LEU 73 - HB3 PRO 19 OK 44 78 - 57 - 4.4/4343=7, ~4375=7...(20) QD1 LEU 79 - HB3 PRO 19 OK 43 89 - 48 - 3406/3.0=6, 3406/2.3=6...(19) QD1 LEU 79 - HB2 PRO 19 OK 42 88 - 48 - 3406/3.0=6, 3406/2.3=6...(19) QG2 VAL 20 - HB3 PRO 19 OK 33 73 - 45 - 1501/3.5=13, 1489/4.9=7...(16) QG2 VAL 20 - HB2 PRO 19 OK 33 73 - 45 - 1501/3.5=13, 1489/4.9=7...(16) HG2 LYS 26 - HB3 PRO 19 OK 29 99 - 29 - 3.0/4371=2, 4366/2.3=2...(13) HG2 LYS 26 - HB2 PRO 19 OK 29 99 - 29 - 4366/2.3=2, 3.0/4371=2...(13) QD1 LEU 30 - HB2 PRO 19 OK 15 90 - 17 - 2.1/4371=2, ~4365=2...(4) QD1 LEU 30 - HB3 PRO 19 OK 15 90 - 17 - 2.1/4371=2, ~4365=2...(4) Peak 4373 from cnoeabs.peaks (1.08, 1.96, 28.00 ppm; 4.56 A): 5 out of 5 assignments used, quality = 0.90: HG2 LYS 56 + HG2 PRO 19 OK 54 92 - 59 - 4374/1.8=9, 2.9/4379=6...(21) QG2 THR 38 + HG2 PRO 19 OK 37 100 - 37 - 4374/1.8=8, 4364/3.8=7...(9) QD2 LEU 34 + HG2 PRO 19 OK 32 78 - 42 - 2.1/4380=5, 4370/2.3=4...(13) QG2 THR 13 + HG2 PRO 19 OK 32 83 - 39 - 4374/1.8=9, 4364/3.8=8...(8) HG3 LYS 14 + HG2 PRO 19 OK 23 90 - 25 - 4374/1.8=6, 4350/2.3=5...(7) Peak 4374 from cnoeabs.peaks (1.09, 1.87, 28.00 ppm; 4.21 A): 5 out of 5 assignments used, quality = 0.85: QG2 THR 13 + HG3 PRO 19 OK 35 97 - 37 - 4350/2.3=8, 4364/3.8=7...(6) HG2 LYS 56 + HG3 PRO 19 OK 35 71 - 49 - 4373/1.8=10, 4364/3.8=5...(17) QG1 VAL 66 + HG3 PRO 19 OK 33 73 - 45 - 4350/2.3=8, 4359/2.3=7...(14) QG2 THR 38 + HG3 PRO 19 OK 32 95 - 34 - 4373/1.8=7, 4350/2.3=6...(9) HG3 LYS 14 + HG3 PRO 19 OK 23 99 - 23 - 4350/2.3=5, 4373/1.8=4...(7) Peak 4375 from cnoeabs.peaks (0.84, 1.87, 28.00 ppm; 4.18 A): 7 out of 9 assignments used, quality = 0.87: QD2 LEU 73 + HG3 PRO 19 OK 61 100 - 61 - 6147=14, 2.1/4376=10...(16) QG2 ILE 35 + HG3 PRO 19 OK 31 90 - 34 - ~4353=4, ~4362=3, 2126=3...(14) HD2 LYS 26 + HG3 PRO 19 OK 17 97 - 18 - 3.0/4376=2, ~4371=2...(6) QD2 LEU 85 + HG3 PRO 19 OK 15 100 - 15 - 2.1/5958=2, 4.7/399=2...(5) QG2 VAL 47 + HG3 PRO 19 OK 12 100 - 12 - 6169=2, 2.1/6168=1 QB ALA 75 + HG3 PRO 19 OK 11 60 - 19 - 2.1/4238=6, ~4236=4...(5) QG1 VAL 47 + HG3 PRO 19 OK 11 87 - 12 - 2.1/6169=1, 6168=1 QD2 LEU 87 - HG3 PRO 19 lone 9 100 - 9 - 2.1/5958=1 QD2 LEU 30 - HG3 PRO 19 poor 7 60 - 11 - 2.1/4376=3 Peak 4376 from cnoeabs.peaks (0.77, 1.87, 28.00 ppm; 4.10 A): 6 out of 7 assignments used, quality = 0.94: QD1 LEU 73 + HG3 PRO 19 OK 59 99 - 59 - 2.1/4375=12, 6145=10...(15) QD2 LEU 79 + HG3 PRO 19 OK 48 92 - 52 - 4.0/1484=9, 3413/2.3=9...(15) QD1 LEU 12 + HG3 PRO 19 OK 48 73 - 65 - 4267/2.3=17, ~4353=13...(16) QG1 VAL 20 + HG3 PRO 19 OK 24 73 - 33 - 1496/4.9=8, 4352/2.3=3...(13) HG2 LYS 26 + HG3 PRO 19 OK 17 78 - 21 - 3.0/4375=3, 4372/2.3=2...(9) QD1 LEU 30 + HG3 PRO 19 OK 15 100 - 15 - 2.1/4375=1, ~4351=1...(4) QD1 LEU 23 - HG3 PRO 19 poor 10 87 - 12 - 4.8/73=2, 3383/1484=1 Peak 4377 from cnoeabs.peaks (1.37, 1.87, 28.00 ppm; 4.00 A): 4 out of 11 assignments used, quality = 0.96: QB ALA 69 + HG3 PRO 19 OK 67 96 - 70 - 6188/2.3=20, 5574=15...(13) HB3 LEU 12 + HG3 PRO 19 OK 64 100 - 64 - ~4267=11, ~4353=9...(18) HB3 LYS 56 + HG3 PRO 19 OK 50 100 - 50 - 4379/1.8=7, 2.9/4374=6...(20) QB ALA 67 + HG3 PRO 19 OK 41 100 - 41 - 3021/2.3=9, 2.1/1485=7...(11) HD3 LYS 56 - HG3 PRO 19 OK 38 83 - 46 - 3.0/4374=6, ~4373=5...(20) HG2 LYS 68 - HG3 PRO 19 OK 25 100 - 26 - 4379/1.8=3, 4358/2.3=2...(9) HG2 LYS 44 - HG3 PRO 19 lone 8 100 - 8 - 4.7/3836=1, 4379/1.8=1 HB2 LYS 64 - HG3 PRO 19 lone 8 97 - 8 - ~5428=1, 4379/1.8=1 HG2 LYS 91 - HG3 PRO 19 lone 2 78 - 2 - HG3 LYS 91 - HG3 PRO 19 lone 2 78 - 2 - QB ALA 89 - HG3 PRO 19 lone 2 89 - 2 - Peak 4378 from cnoeabs.peaks (1.50, 1.87, 28.00 ppm; 4.41 A): 4 out of 13 assignments used, quality = 0.94: QB ALA 72 + HG3 PRO 19 OK 61 100 - 61 - 5693/4.9=14, 3.6/4348=11...(16) HB2 LYS 56 + HG3 PRO 19 OK 56 100 - 56 - 2.9/4374=7, 1.8/4377=7...(18) HG LEU 79 + HG3 PRO 19 OK 47 81 - 59 - 4.3/1484=9, 2.1/4376=9...(17) HG LEU 34 + HG3 PRO 19 OK 35 85 - 41 - 2.1/4678=5, ~4373=5...(15) QB ALA 71 - HG3 PRO 19 OK 25 73 - 34 - ~1066=6, 4380/1.8=4...(15) HD2 LYS 17 - HG3 PRO 19 OK 20 95 - 21 - 6.1/3836=3, 4384/4.9=3...(7) HD3 LYS 17 - HG3 PRO 19 OK 20 95 - 21 - 6.1/3836=3, 4384/4.9=3...(7) HG2 GLU 37 - HG3 PRO 19 OK 18 99 - 18 - 2185=3, 3.8/2167=2...(6) HB2 LEU 85 - HG3 PRO 19 OK 16 89 - 18 - 3.1/4375=3, 4.0/399=2...(6) HB3 LYS 26 - HG3 PRO 19 OK 16 78 - 20 - 3.6/4375=3, 2.9/4376=3...(9) HG3 ARG 27 - HG3 PRO 19 lone 4 78 - 6 - HB2 ARG 45 - HG3 PRO 19 lone 4 95 - 4 - HD3 LYS 64 - HG3 PRO 19 lone 3 63 - 5 - Peak 4379 from cnoeabs.peaks (1.37, 1.96, 28.00 ppm; 3.93 A): 4 out of 12 assignments used, quality = 0.95: QB ALA 69 + HG2 PRO 19 OK 63 89 - 71 - 6188/2.3=18, 5574/1.8=12...(16) HB3 LEU 12 + HG2 PRO 19 OK 60 99 - 61 - ~4267=11, ~4353=9...(18) HB3 LYS 56 + HG2 PRO 19 OK 50 97 - 51 - 2.9/4373=7, 4377/1.8=6...(22) QB ALA 67 + HG2 PRO 19 OK 38 100 - 38 - 3021/2.3=8, 2.1/1478=7...(10) HD3 LYS 56 - HG2 PRO 19 OK 33 71 - 47 - 3.0/4373=7, 4377/1.8=5...(22) HG2 LYS 68 - HG2 PRO 19 OK 26 100 - 26 - 4377/1.8=3, 4358/2.3=2...(10) HG2 LYS 44 - HG2 PRO 19 lone 8 100 - 8 - 4.7/3835=1, 2276/4.9=1 HB2 LYS 64 - HG2 PRO 19 lone 8 99 - 8 - ~5428=1 HG2 LYS 91 - HG2 PRO 19 lone 2 89 - 2 - HG3 LYS 91 - HG2 PRO 19 lone 2 89 - 2 - QB ALA 89 - HG2 PRO 19 lone 2 96 - 2 - QB ALA 86 - HG2 PRO 19 lone 1 65 - 1 - Peak 4380 from cnoeabs.peaks (1.50, 1.96, 28.00 ppm; 4.41 A): 5 out of 13 assignments used, quality = 0.96: QB ALA 72 + HG2 PRO 19 OK 63 98 - 64 - 5693/4.9=14, 5681/2.3=8...(21) HB2 LYS 56 + HG2 PRO 19 OK 57 100 - 58 - 2.9/4373=9, 1.8/4379=8...(19) HG LEU 34 + HG2 PRO 19 OK 40 95 - 42 - 2.1/4373=6, 2091/2.3=4...(14) QB ALA 71 + HG2 PRO 19 OK 36 87 - 42 - ~1066=6, 4.2/5681=4...(18) HG LEU 79 + HG2 PRO 19 OK 36 65 - 55 - 4.3/1477=9, ~3413=7...(17) HD2 LYS 17 - HG2 PRO 19 OK 22 99 - 22 - 6.1/3835=3, 4384/4.9=3...(7) HD3 LYS 17 - HG2 PRO 19 OK 22 99 - 22 - 6.1/3835=3, 4384/4.9=3...(7) HB3 LYS 26 - HG2 PRO 19 OK 17 90 - 19 - 4378/1.8=2, ~4376=2...(8) HB2 LEU 85 - HG2 PRO 19 OK 16 97 - 17 - ~4375=2, 4378/1.8=2...(6) HG2 GLU 37 - HG2 PRO 19 OK 13 100 - 13 - 2185/1.8=3 HG3 ARG 27 - HG2 PRO 19 lone 5 90 - 5 - HD3 LYS 64 - HG2 PRO 19 lone 5 78 - 6 - HB2 ARG 45 - HG2 PRO 19 lone 4 99 - 3 - Peak 4381 from cnoeabs.peaks (3.38, 1.98, 32.46 ppm; 5.71 A): 4 out of 4 assignments used, quality = 1.00: HA VAL 20 + HB2 PRO 19 OK 100 100 - 100 - 4.9=100 HA VAL 20 + HB3 PRO 19 OK 100 100 - 100 - 4.9=100 HD2 PRO 81 + HB2 PRO 19 OK 89 100 - 89 - 567/3.5=17, 5917/2.3=12...(49) HD2 PRO 81 + HB3 PRO 19 OK 89 100 - 89 - 567/3.5=17, 5917/2.3=12...(49) Peak 4388 from cnoeabs.peaks (0.90, 3.38, 65.78 ppm; 4.17 A): 4 out of 6 assignments used, quality = 0.84: QD2 LEU 23 + HA VAL 20 OK 58 99 - 59 - 3.1/4153=14, 4.8/4149=14...(12) QD1 LEU 76 + HA VAL 20 OK 33 73 - 44 - 2.1/1490=5, 3.1/4389=5...(23) HD3 LYS 26 + HA VAL 20 OK 29 99 - 30 - 1732/3.2=4, 1732/3.2=3...(10) HB3 LEU 30 + HA VAL 20 OK 19 99 - 19 - 4590/4405=7, 5673/5682=2...(7) QD1 LEU 87 - HA VAL 20 lone 9 96 - 9 - 4.8/4148=2, 589/4149=1 QD1 LEU 85 - HA VAL 20 lone 7 92 - 7 - Peak 4389 from cnoeabs.peaks (1.49, 3.38, 65.78 ppm; 3.12 A): 7 out of 11 assignments used, quality = 0.88: QB ALA 72 + HA VAL 20 OK 60 99 - 60 - 5682=32, 5693/3.0=10...(14) HG LEU 79 + HA VAL 20 OK 26 97 - 27 - 2.1/1489=4, 3.0/4152=4...(10) HB3 LEU 76 + HA VAL 20 OK 22 73 - 30 - 3.1/4388=3, 3.1/1490=3...(12) HD2 LYS 17 + HA VAL 20 OK 16 76 - 21 - 3.0/4152=3, 4384/3.0=2...(8) HD3 LYS 17 + HA VAL 20 OK 16 76 - 21 - 3.0/4152=3, 4384/3.0=2...(8) HB2 LYS 56 + HA VAL 20 OK 16 92 - 17 - 4384/3.0=2, 4400/3.2=2...(6) HG LEU 12 + HA VAL 20 OK 14 76 - 18 - 2.1/1489=3, ~4253=3...(7) HG LEU 34 - HA VAL 20 lone 4 60 - 6 - HG2 GLU 37 - HA VAL 20 lone 3 90 - 3 - HB2 LEU 85 - HA VAL 20 lone 3 65 - 4 - HB2 ARG 45 - HA VAL 20 lone 1 76 - 1 - Peak 4390 from cnoeabs.peaks (3.88, 3.38, 65.78 ppm; 4.97 A): 3 out of 4 assignments used, quality = 0.97: HA ALA 69 + HA VAL 20 OK 79 98 - 80 - 6190/3.0=26, 4404/3.2=20...(14) HA GLU 22 + HA VAL 20 OK 77 96 - 81 - 3.6/4149=25, 4386/3.0=14...(25) HA GLU 77 + HA VAL 20 OK 43 99 - 43 - 4404/3.2=7, 6154/3.0=5...(19) HA3 GLY 29 - HA VAL 20 OK 15 99 - 15 - 4201/5682=5, 4386/3.0=2...(5) Peak 4391 from cnoeabs.peaks (3.96, 3.38, 65.78 ppm; 4.68 A): 4 out of 7 assignments used, quality = 0.97: HA ALA 72 + HA VAL 20 OK 81 100 - 81 - 2.1/5682=38, 5683=16...(18) HA LEU 23 + HA VAL 20 OK 51 65 - 77 - 3.0/4149=26, 3.6/4154=23...(15) HA LEU 76 + HA VAL 20 OK 46 87 - 53 - 4.0/4388=6, 2.9/4389=6...(24) HA3 GLY 16 + HA VAL 20 OK 40 93 - 43 - 3820/3.0=8, 3.6/1486=8...(9) HA PRO 19 - HA VAL 20 OK 26 60 - 43 - ~54=8, ~53=7, 4141/3.5=7...(12) HA ALA 71 - HA VAL 20 OK 22 99 - 22 - ~5645=3, 3159/5682=3...(9) HA GLU 25 - HA VAL 20 OK 21 93 - 22 - 1640/4.9=3, 1640/4.9=3...(8) Peak 4394 from cnoeabs.peaks (2.87, 0.74, 20.54 ppm; 4.61 A): 4 out of 10 assignments used, quality = 0.99: HB3 ASN 24 + QG1 VAL 20 OK 69 95 - 73 - 3.5/4406=31, 3.7/4414=27...(14) HB3 ASN 18 + QG1 VAL 20 OK 65 97 - 67 - 3.5/3839=13, ~3840=8...(20) HB2 ASN 18 + QG1 VAL 20 OK 65 97 - 67 - 3.5/3839=13, ~3840=8...(20) HB3 TYR 32 + QG1 VAL 20 OK 62 93 - 66 - 4.4/4408=29, 2.5/4407=18...(11) HE3 LYS 17 - QG1 VAL 20 OK 23 93 - 24 - 3.9/4398=3, 7.2/1496=3...(9) HB3 ASN 63 - QG1 VAL 20 OK 20 99 - 20 - 3.5/1496=4, 455/4406=3...(6) HE2 LYS 17 - QG1 VAL 20 OK 17 73 - 23 - 3.9/4398=3, 7.2/1496=3...(9) HB2 ASP 53 - QG1 VAL 20 OK 14 65 - 22 - 4.1/4418=9, 1.8/5142=5...(4) HE2 LYS 65 - QG1 VAL 20 lone 8 97 - 8 - 5.8/5456=1 HE3 LYS 65 - QG1 VAL 20 lone 7 92 - 8 - 5.8/5456=1 Peak 4395 from cnoeabs.peaks (2.22, 0.74, 20.54 ppm; 3.76 A): 4 out of 4 assignments used, quality = 0.76: HE2 LYS 68 + QG1 VAL 20 OK 57 99 - 57 - 4399/2.1=14, 5565=10...(17) HG2 GLU 77 + QG1 VAL 20 OK 26 100 - 26 - 4399/2.1=7, 1.8/5802=4...(9) HG2 GLU 33 + QG1 VAL 20 OK 13 100 - 13 - 4399/2.1=4, 2058/2.1=2...(4) HG2 GLU 25 + QG1 VAL 20 OK 13 100 - 13 - 4399/2.1=3, 4.9/607=2...(4) Peak 4396 from cnoeabs.peaks (1.48, 0.74, 20.54 ppm; 4.06 A): 4 out of 12 assignments used, quality = 0.94: QB ALA 72 + QG1 VAL 20 OK 68 95 - 72 - 5682/3.2=26, 5693/4.0=13...(13) HG LEU 79 + QG1 VAL 20 OK 52 100 - 52 - 4400/2.1=6, 4389/3.2=5...(18) HB3 LEU 76 + QG1 VAL 20 OK 39 87 - 45 - 3235/2.1=5, 1.8/6172=5...(19) HG LEU 12 + QG1 VAL 20 OK 38 89 - 43 - 2.1/1199=5, 3.0/1178=5...(17) HB2 LYS 56 - QG1 VAL 20 OK 21 81 - 25 - 4400/2.1=3, 4389/3.2=3...(10) HD3 LYS 17 - QG1 VAL 20 OK 17 60 - 28 - 4389/3.2=3, 6.1/1496=3...(11) HD2 LYS 17 - QG1 VAL 20 OK 17 60 - 28 - 4389/3.2=3, 6.1/1496=3...(11) HG3 LYS 78 - QG1 VAL 20 OK 12 73 - 16 - 1.8/5814=2, 4.9/5811=1 HD2 LYS 64 - QG1 VAL 20 OK 11 71 - 16 - 2872/2.1=2, ~2882=2...(7) HG2 GLU 37 - QG1 VAL 20 lone 4 78 - 5 - HB2 ARG 45 - QG1 VAL 20 lone 2 60 - 3 - HB3 ARG 45 - QG1 VAL 20 lone 2 65 - 2 - Peak 4397 from cnoeabs.peaks (1.31, 0.74, 20.54 ppm; 4.62 A): 4 out of 8 assignments used, quality = 0.92: HB3 LYS 68 + QG1 VAL 20 OK 73 90 - 81 - ~4403=18, 4.9/4395=13...(23) HB2 LYS 26 + QG1 VAL 20 OK 54 100 - 54 - 1682=7, 1.8/1692=7...(22) HB VAL 50 + QG1 VAL 20 OK 26 90 - 29 - 5031/4408=14...(5) HG3 LYS 56 + QG1 VAL 20 OK 12 60 - 21 - 4.7/4416=3, 2.9/4396=3...(7) HD3 LYS 44 - QG1 VAL 20 poor 9 87 - 11 - 5.8/1496=1, 2306/4.0=1 HG3 LYS 31 - QG1 VAL 20 lone 9 98 - 9 - 4624/4408=2, 4609/4407=1 QB ALA 60 - QG1 VAL 20 lone 6 100 - 6 - 5368/5288=1 HG3 ARG 45 - QG1 VAL 20 lone 5 98 - 5 - Peak 4398 from cnoeabs.peaks (1.23, 0.74, 20.54 ppm; 4.18 A): 3 out of 9 assignments used, quality = 0.96: HD3 LYS 68 + QG1 VAL 20 OK 73 100 - 73 - 3.0/4395=18, 3.5/4397=9...(28) HD2 LYS 68 + QG1 VAL 20 OK 73 100 - 73 - 3.0/4395=18, 3.5/4397=9...(28) HB2 LEU 79 + QG1 VAL 20 OK 39 73 - 54 - 1.8/3396=6, 4.6/4415=6...(21) HG3 LYS 26 - QG1 VAL 20 OK 37 78 - 47 - 2.9/4397=7, 2.9/1692=5...(21) HG2 LYS 17 - QG1 VAL 20 OK 30 97 - 31 - 4.8/1496=5, 1359/4.0=5...(11) QD1 LEU 34 - QG1 VAL 20 poor 10 97 - 10 - 1359/4.0=1 HG13 ILE 35 - QG1 VAL 20 lone 8 100 - 8 - QG2 THR 83 - QG1 VAL 20 lone 5 92 - 6 - HG2 LYS 14 - QG1 VAL 20 lone 2 68 - 3 - Peak 4399 from cnoeabs.peaks (2.22, 0.73, 22.47 ppm; 4.33 A): 4 out of 4 assignments used, quality = 0.88: HE2 LYS 68 + QG2 VAL 20 OK 73 99 - 73 - 4395/2.1=22, 5565=13...(18) HG2 GLU 77 + QG2 VAL 20 OK 37 100 - 37 - 4395/2.1=10, 3.7/4404=7...(10) HG2 GLU 33 + QG2 VAL 20 OK 19 100 - 19 - 4395/2.1=5, 2058/2.1=2...(5) HG2 GLU 25 + QG2 VAL 20 OK 17 100 - 17 - 4395/2.1=5, 4.9/607=2 Peak 4400 from cnoeabs.peaks (1.49, 0.73, 22.47 ppm; 3.09 A): 9 out of 14 assignments used, quality = 0.92: QB ALA 72 + QG2 VAL 20 OK 58 100 - 58 - 5682/3.2=17, 5674=14...(13) HG LEU 79 + QG2 VAL 20 OK 32 90 - 35 - 3.0/4402=4, 2.1/3417=4...(17) HB3 LEU 76 + QG2 VAL 20 OK 20 60 - 34 - 1.8/1503=4, 2.9/3221=3...(14) HB2 LYS 56 + QG2 VAL 20 OK 18 97 - 18 - 1.8/4401=2, 4389/3.2=2...(6) HB3 LYS 26 + QG2 VAL 20 OK 17 65 - 26 - ~4397=3, 1.8/1682=2...(12) HG LEU 12 + QG2 VAL 20 OK 15 63 - 24 - 3.0/4401=3, 2.1/1199=3...(10) HD2 LYS 17 + QG2 VAL 20 OK 15 87 - 17 - 3.0/4402=2, 4389/3.2=2...(7) HD3 LYS 17 + QG2 VAL 20 OK 15 87 - 17 - 3.0/4402=2, 4389/3.2=2...(7) QB ALA 71 + QG2 VAL 20 OK 15 60 - 24 - 3.7/4412=6, 4.2/5674=5...(6) HG3 ARG 27 - QG2 VAL 20 lone 5 65 - 7 - HG LEU 34 - QG2 VAL 20 lone 4 73 - 5 - HG2 GLU 37 - QG2 VAL 20 lone 3 97 - 3 - HB2 LEU 85 - QG2 VAL 20 lone 2 78 - 3 - HB2 ARG 45 - QG2 VAL 20 lone 2 87 - 2 - Peak 4401 from cnoeabs.peaks (1.38, 0.73, 22.47 ppm; 3.43 A): 3 out of 12 assignments used, quality = 0.92: QB ALA 69 + QG2 VAL 20 OK 70 99 - 70 - 2.1/4404=20, 5582=17...(13) HG2 LYS 68 + QG2 VAL 20 OK 56 97 - 58 - 3.9/4403=11, 3.7/4399=8...(21) HB3 LEU 12 + QG2 VAL 20 OK 36 100 - 36 - 1178=5, 1178/2.1=5...(14) HB3 LYS 56 - QG2 VAL 20 OK 20 100 - 20 - 1.8/4400=3, 2.9/4402=2...(7) QB ALA 67 - QG2 VAL 20 OK 18 99 - 19 - 3.7/4411=8, 5.0/5460=2...(4) HB2 LYS 64 - QG2 VAL 20 OK 17 89 - 20 - 2832=2, 3.0/2822=2...(8) HD3 LYS 56 - QG2 VAL 20 OK 15 93 - 16 - 3.0/4402=2, 3.4/4400=2 HG2 LYS 44 - QG2 VAL 20 lone 8 98 - 9 - 4.7/1501=1 QB ALA 89 - QG2 VAL 20 lone 1 76 - 2 - HG2 LYS 31 - QG2 VAL 20 lone 1 60 - 2 - HG3 LYS 91 - QG2 VAL 20 lone 1 63 - 1 - HG2 LYS 91 - QG2 VAL 20 lone 1 63 - 1 - Peak 4402 from cnoeabs.peaks (1.26, 0.73, 22.47 ppm; 3.65 A): 7 out of 8 assignments used, quality = 0.92: HB2 LEU 79 + QG2 VAL 20 OK 45 93 - 48 - 3389=7, 1.8/3396=5...(19) HB3 LEU 23 + QG2 VAL 20 OK 44 99 - 45 - 4153/3.2=10, ~4151=7...(13) HB3 LYS 68 + QG2 VAL 20 OK 44 65 - 68 - 3.0/4403=15, 4.3/6203=12...(21) HG3 LYS 17 + QG2 VAL 20 OK 25 100 - 25 - 4.8/1501=4, 4152/3.2=4...(7) HG3 LYS 56 + QG2 VAL 20 OK 18 93 - 20 - 2.9/4400=3, 2.9/4401=2...(6) HG2 LYS 17 + QG2 VAL 20 OK 14 65 - 21 - 4.8/1501=4, 4152/3.2=3...(6) HG3 LYS 65 + QG2 VAL 20 OK 10 100 - 10 - 3.7/5455=2 HD3 LYS 44 - QG2 VAL 20 lone 5 71 - 6 - 3.0/4401=1 Peak 4403 from cnoeabs.peaks (3.55, 0.73, 22.47 ppm; 5.22 A): 1 out of 2 assignments used, quality = 0.88: HA LYS 68 + QG2 VAL 20 OK 88 97 - 92 - 3.6/6203=27, 3.0/4411=24...(27) HB3 SER 36 - QG2 VAL 20 lone 4 78 - 5 - Peak 4404 from cnoeabs.peaks (3.86, 0.73, 22.47 ppm; 3.13 A): 3 out of 4 assignments used, quality = 0.75: HA ALA 69 + QG2 VAL 20 OK 59 99 - 59 - 5575=18, 3.0/6203=12...(14) HA GLU 22 + QG2 VAL 20 OK 24 63 - 38 - 3.6/4468=4, 4390/3.2=3...(18) HA GLU 77 + QG2 VAL 20 OK 21 98 - 21 - 3.7/4399=3, 2.9/362=3...(7) HA3 GLY 29 - QG2 VAL 20 lone 6 98 - 6 - Peak 4405 from cnoeabs.peaks (6.67, 3.38, 65.78 ppm; 5.35 A): 1 out of 1 assignment used, quality = 0.86: QE TYR 32 + HA VAL 20 OK 86 99 - 88 - 4408/3.2=44, 4410/3.2=38...(14) Peak 4406 from cnoeabs.peaks (6.98, 0.74, 20.54 ppm; 4.31 A): 1 out of 2 assignments used, quality = 0.59: HD22 ASN 24 + QG1 VAL 20 OK 59 100 - 59 - 4497=17, 5.4/4414=16...(10) HD2 HIS 10 - QG1 VAL 20 lone 1 65 - 1 - Peak 4407 from cnoeabs.peaks (6.82, 0.74, 20.54 ppm; 5.22 A): 2 out of 3 assignments used, quality = 0.95: QD TYR 32 + QG1 VAL 20 OK 92 100 - 92 - 2.2/4408=49, ~4410=32...(23) HE21 GLN 55 + QG1 VAL 20 OK 32 71 - 45 - 4409/2.1=9, ~6203=8...(10) QE TYR 70 - QG1 VAL 20 OK 26 83 - 31 - 4409/2.1=7, 4690=4...(8) Peak 4408 from cnoeabs.peaks (6.67, 0.74, 20.54 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.73: QE TYR 32 + QG1 VAL 20 OK 73 100 - 73 - 4410/2.1=27, 4405/3.2=16...(18) Peak 4409 from cnoeabs.peaks (6.82, 0.73, 22.47 ppm; 5.10 A): 2 out of 3 assignments used, quality = 0.95: QD TYR 32 + QG2 VAL 20 OK 92 100 - 92 - 2.2/4410=44, ~4408=35...(23) HE21 GLN 55 + QG2 VAL 20 OK 35 83 - 42 - 1.7/6203=10, 4407/2.1=8...(14) QE TYR 70 - QG2 VAL 20 OK 28 92 - 30 - 4407/2.1=6, 6.5/4412=6...(9) Peak 4410 from cnoeabs.peaks (6.66, 0.73, 22.47 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.85: QE TYR 32 + QG2 VAL 20 OK 85 100 - 85 - 4408/2.1=43, 4405/3.2=22...(16) Peak 4411 from cnoeabs.peaks (7.98, 0.73, 22.47 ppm; 5.56 A): 2 out of 2 assignments used, quality = 0.89: H LYS 68 + QG2 VAL 20 OK 85 100 - 85 - 3.0/4403=37, 4.6/6203=24...(22) H ASP 43 + QG2 VAL 20 OK 26 99 - 27 - 3023/4403=5, 318/6203=4...(8) Peak 4412 from cnoeabs.peaks (8.35, 0.73, 22.47 ppm; 4.39 A): 4 out of 6 assignments used, quality = 0.91: H ALA 72 + QG2 VAL 20 OK 73 100 - 73 - 5669=14, ~5682=14...(18) H TYR 70 + QG2 VAL 20 OK 54 87 - 62 - 3.6/4404=20, 4.6/6203=16...(14) H ARG 28 + QG2 VAL 20 OK 16 100 - 16 - 4417/2.1=3, 4599/4410=2...(6) H GLY 40 + QG2 VAL 20 OK 11 76 - 15 - 4791/4.0=4, 4417/2.1=2...(5) H ASN 90 - QG2 VAL 20 lone 5 73 - 6 - 1021/4.3=1, 4417/2.1=1 H GLY 39 - QG2 VAL 20 lone 4 76 - 6 - 4417/2.1=1 Peak 4414 from cnoeabs.peaks (7.75, 0.74, 20.54 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.72: H ASN 24 + QG1 VAL 20 OK 72 99 - 72 - 4154/3.2=26, 5.4/4406=22...(15) Peak 4415 from cnoeabs.peaks (7.87, 0.74, 20.54 ppm; 4.49 A): 4 out of 4 assignments used, quality = 0.92: HD21 ASN 24 + QG1 VAL 20 OK 73 100 - 73 - 1.7/4406=41, 5.4/4414=18...(10) H PHE 80 + QG1 VAL 20 OK 49 98 - 50 - 5879/3.2=10, 4.8/1497=9...(12) H LEU 12 + QG1 VAL 20 OK 33 90 - 36 - 526=6, 3.0/1164=5...(9) H LYS 65 + QG1 VAL 20 OK 10 65 - 16 - ~5455=3, 2.9/5456=2...(5) Peak 4416 from cnoeabs.peaks (8.22, 0.74, 20.54 ppm; 6.00 A): 3 out of 6 assignments used, quality = 0.95: H GLU 22 + QG1 VAL 20 OK 86 98 - 88 - 4.6/3839=25, 1019/4.0=20...(24) HE21 GLN 58 + QG1 VAL 20 OK 41 98 - 42 - 4.6/5288=8, 1019/4.0=7...(12) H LYS 56 + QG1 VAL 20 OK 41 83 - 50 - 4.7/5182=7, 4.6/5169=6...(14) H LEU 79 - QG1 VAL 20 OK 32 60 - 54 - 4.6/4415=11, 5.0/4396=7...(13) H ASP 88 - QG1 VAL 20 OK 23 68 - 33 - 959/4.3=8, 4148/3.2=6...(6) H ALA 86 - QG1 VAL 20 OK 11 68 - 15 - 959/4.3=3, 4148/3.2=2...(4) Peak 4417 from cnoeabs.peaks (8.36, 0.74, 20.54 ppm; 5.08 A): 3 out of 7 assignments used, quality = 0.93: H ALA 72 + QG1 VAL 20 OK 75 97 - 77 - 4412/2.1=20, ~5682=19...(14) H LEU 23 + QG1 VAL 20 OK 52 68 - 76 - 4.6/4414=27, 1028/3.2=18...(17) H TYR 70 + QG1 VAL 20 OK 42 76 - 56 - 4412/2.1=15, 3.6/5575=11...(14) H ARG 28 - QG1 VAL 20 OK 20 99 - 20 - 4412/2.1=4, 4.6/100=4...(6) H GLY 40 - QG1 VAL 20 OK 18 87 - 20 - 4791/4.0=7, 1021/4.3=3...(5) H ASN 90 - QG1 VAL 20 poor 9 85 - 10 - 1021/4.3=2, 77/4414=2...(4) H GLY 39 - QG1 VAL 20 lone 8 87 - 9 - 1021/4.3=2, 77/4414=1...(4) Peak 4418 from cnoeabs.peaks (9.14, 0.74, 20.54 ppm; 5.11 A): 3 out of 3 assignments used, quality = 0.59: HE ARG 27 + QG1 VAL 20 OK 32 100 - 32 - 4601/4408=14...(7) H ASP 53 + QG1 VAL 20 OK 30 90 - 33 - 5134=5, 4.1/5142=4...(11) H VAL 50 + QG1 VAL 20 OK 15 73 - 21 - 4638/4408=9, 4.0/4397=4...(4) Peak 4421 from cnoeabs.peaks (6.98, 4.14, 57.74 ppm; 5.74 A): 1 out of 2 assignments used, quality = 0.92: HD22 ASN 24 + HA MET 21 OK 92 100 - 92 - 1.7/4422=41, 4495=34...(18) HD2 HIS 10 - HA MET 21 lone 2 65 - 3 - Peak 4422 from cnoeabs.peaks (7.88, 4.14, 57.74 ppm; 4.69 A): 2 out of 3 assignments used, quality = 0.83: HD21 ASN 24 + HA MET 21 OK 81 96 - 85 - 4494=34, 3.5/4157=28...(16) H PHE 80 + HA MET 21 OK 11 85 - 12 - 4.0/4157=3, 5823/1100=2...(4) H LEU 12 - HA MET 21 lone 5 68 - 7 - 4.6/4432=2, 1630/4157=1 Peak 4423 from cnoeabs.peaks (7.59, 2.63, 32.07 ppm; 5.39 A): 4 out of 5 assignments used, quality = 0.93: H VAL 20 + HG2 MET 21 OK 71 99 - 72 - 4.6/575=29, 4425/1.8=16...(12) H LYS 44 + HG2 MET 21 OK 51 92 - 55 - 4794/4.0=19, 192/1.8=9...(11) H LYS 17 + HG2 MET 21 OK 34 97 - 35 - 59/4.9=8, 4425/1.8=8...(10) HD21 ASN 63 + HG2 MET 21 OK 28 100 - 27 - 4425/1.8=6, 4428/4.0=5...(6) H SER 36 - HG2 MET 21 lone 3 71 - 5 - Peak 4424 from cnoeabs.peaks (7.90, 2.63, 32.07 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.86: HD21 ASN 18 + HG2 MET 21 OK 76 78 - 98 - 4427/3.4=38, 1.7/4330=35...(23) HD21 ASN 24 + HG2 MET 21 OK 40 63 - 64 - 4422/4.0=28, 4498/2.9=11...(12) Peak 4425 from cnoeabs.peaks (7.60, 2.46, 32.07 ppm; 5.57 A): 4 out of 4 assignments used, quality = 0.90: H VAL 20 + HG3 MET 21 OK 70 100 - 71 - 958/4.9=24, 4423/1.8=15...(12) H LYS 17 + HG3 MET 21 OK 36 100 - 36 - 4426/2.9=9, 59/4.9=8...(10) H LYS 44 + HG3 MET 21 OK 30 68 - 44 - 4794/4.0=15, 4423/1.8=11...(8) HD21 ASN 63 + HG3 MET 21 OK 26 93 - 28 - 4428/4.0=6, 4423/1.8=6...(5) Peak 4426 from cnoeabs.peaks (7.60, 2.15, 32.01 ppm; 5.81 A): 4 out of 4 assignments used, quality = 0.92: H VAL 20 + HB3 MET 21 OK 73 99 - 74 - 958/4.0=28, 1019/4.6=18...(11) H LYS 17 + HB3 MET 21 OK 44 100 - 44 - 59/4.0=10, 4425/2.9=8...(11) HD21 ASN 63 + HB3 MET 21 OK 28 89 - 32 - 4428/3.0=7, 4425/2.9=6...(6) H LYS 44 + HB3 MET 21 OK 25 60 - 42 - 4794/3.0=16, 4423/2.9=9...(7) Peak 4427 from cnoeabs.peaks (7.91, 2.06, 17.06 ppm; 5.60 A): 1 out of 2 assignments used, quality = 0.80: HD21 ASN 18 + QE MET 21 OK 80 90 - 89 - 1.7/1541=23, 4332/3.4=22...(15) H HIS 15 - QE MET 21 lone 2 63 - 2 - Peak 4428 from cnoeabs.peaks (7.60, 4.14, 57.74 ppm; 5.53 A): 4 out of 4 assignments used, quality = 0.94: H VAL 20 + HA MET 21 OK 78 100 - 78 - 958/3.0=30, 1019/3.6=20...(13) H LYS 17 + HA MET 21 OK 40 100 - 40 - 59/3.0=11, 4426/3.0=8...(11) HD21 ASN 63 + HA MET 21 OK 37 93 - 39 - 3.5/4157=8, 59/3.0=6...(10) H LYS 44 + HA MET 21 OK 34 68 - 50 - 4794=24, 4423/4.0=8...(8) Peak 4431 from cnoeabs.peaks (1.94, 4.14, 57.74 ppm; 4.84 A): 3 out of 15 assignments used, quality = 0.98: HB VAL 20 + HA MET 21 OK 80 100 - 81 - 3838/3.0=26, ~3839=16...(15) HB2 GLU 77 + HA MET 21 OK 74 90 - 82 - 1.8/4232=17, 4230=14...(24) HB3 GLU 22 + HA MET 21 OK 68 100 - 68 - 1560/3.6=17, 3.0/4448=16...(17) HB2 LEU 76 - HA MET 21 OK 41 100 - 41 - 4.6/1095=11, 4.0/1088=8...(13) HG2 PRO 19 - HA MET 21 OK 24 89 - 28 - 4.9/4428=8, ~4341=6...(7) HB2 GLU 33 - HA MET 21 OK 24 100 - 24 - 2049/3.0=3, 6073/4.0=2...(11) HG3 PRO 81 - HA MET 21 OK 13 76 - 17 - ~60=7, 61/3.0=3, 581/3.6=1 HG3 PRO 84 - HA MET 21 OK 13 99 - 13 - 2.3/5952=2, 61/3.0=2...(5) HD2 LYS 78 - HA MET 21 poor 10 78 - 12 - 6.2/1100=7 HB2 GLN 58 - HA MET 21 poor 9 87 - 11 - 4.6/3841=3, 3838/3.0=3 HB3 PRO 81 - HA MET 21 poor 9 65 - 14 - ~60=6, ~61=2, 2743/3.6=1 QE MET 48 - HA MET 21 lone 8 96 - 8 - 61/3.0=1 HG3 GLU 49 - HA MET 21 lone 6 90 - 6 - 581/3.6=1 HB VAL 47 - HA MET 21 lone 5 96 - 5 - 5970/4794=2 HB2 GLU 51 - HA MET 21 lone 3 71 - 4 - ~5055=2 Peak 4432 from cnoeabs.peaks (0.73, 4.14, 57.74 ppm; 4.05 A): 3 out of 7 assignments used, quality = 0.95: QG2 VAL 20 + HA MET 21 OK 72 100 - 72 - 3840/3.0=18, ~3838=12...(21) QG1 VAL 20 + HA MET 21 OK 70 93 - 75 - 3839/3.0=18, ~3838=12...(20) QD1 LEU 79 + HA MET 21 OK 34 100 - 34 - 5847/3.0=7, 63/3.0=4...(12) QD2 LEU 76 - HA MET 21 OK 32 90 - 36 - 5785/4156=6, 4.8/1088=5...(15) QD1 LEU 12 - HA MET 21 OK 14 93 - 15 - 62/3.0=2, 4500/4422=1...(6) HG2 LYS 26 - HA MET 21 OK 13 90 - 14 - 62/3.0=2, 4439/3.0=1...(6) HG3 LYS 64 - HA MET 21 lone 4 68 - 6 - Peak 4433 from cnoeabs.peaks (2.86, 2.06, 32.01 ppm; 3.94 A): 3 out of 20 assignments used, quality = 0.99: HB2 ASN 18 + HB2 MET 21 OK 82 100 - 82 - 3.5/1513=12, 4335/1.8=10...(26) HB3 ASN 18 + HB2 MET 21 OK 82 100 - 82 - 3.5/1513=12, 4335/1.8=10...(26) HB3 ASN 24 + HB2 MET 21 OK 67 100 - 67 - ~4157=15, ~4158=11...(15) HE3 LYS 17 - HB2 MET 21 OK 21 100 - 21 - 4435/2.9=2, 4434/1.8=2...(12) HE2 LYS 17 - HB2 MET 21 OK 19 95 - 21 - 4440/4.2=2, 4436/2.9=2...(11) HB3 ASN 63 - HB2 MET 21 OK 14 100 - 14 - ~4157=3, 4159/3.0=3...(6) HB3 TYR 32 - HB2 MET 21 lone 7 100 - 7 - 4.7/660=1 HB2 ASN 18 - HB2 GLN 55 poor 6 42 - 14 - 4335/2.9=1, ~5190=1 HB3 ASN 18 - HB2 GLN 55 poor 6 42 - 14 - 4335/2.9=1, ~5190=1 HE2 LYS 65 - HB2 MET 21 lone 4 78 - 4 - HB3 TYR 32 - HB2 GLN 55 lone 3 41 - 8 - 2025/4.5=2, 4618/1.8=1, ~2607=1 HE3 LYS 65 - HB2 MET 21 lone 3 68 - 4 - HE2 LYS 65 - HB2 GLN 55 lone 3 27 - 10 - 5.1/2590=1 HE3 LYS 65 - HB2 GLN 55 lone 2 23 - 9 - 5.1/2590=1 HB3 ASN 63 - HB2 GLN 55 lone 2 41 - 5 - 2811/4.5=2 HB3 ASN 24 - HB2 GLN 55 lone 2 42 - 4 - HE3 LYS 17 - HB2 GLN 55 lone 2 41 - 4 - HB2 ASN 90 - HB2 MET 21 lone 2 65 - 2 - HE2 LYS 17 - HB2 GLN 55 lone 2 36 - 4 - HB2 ASN 90 - HB2 GLN 55 lone 0 22 - 1 - Peak 4434 from cnoeabs.peaks (2.86, 2.15, 32.01 ppm; 4.01 A): 3 out of 9 assignments used, quality = 0.99: HB3 ASN 18 + HB3 MET 21 OK 85 100 - 85 - 4335=13, 3.5/1520=13...(28) HB2 ASN 18 + HB3 MET 21 OK 85 100 - 85 - 4335=13, 3.5/1520=13...(28) HB3 ASN 24 + HB3 MET 21 OK 69 99 - 69 - ~4157=15, ~4158=12...(15) HE3 LYS 17 - HB3 MET 21 OK 20 99 - 21 - 4435/2.9=3, 4433/1.8=2...(12) HE2 LYS 17 - HB3 MET 21 OK 17 87 - 20 - 4433/1.8=2, 4436/2.9=2...(11) HB3 ASN 63 - HB3 MET 21 OK 16 100 - 16 - ~4157=4, 4159/3.0=3...(7) HB3 TYR 32 - HB3 MET 21 lone 6 99 - 6 - 4429/4.0=1 HE2 LYS 65 - HB3 MET 21 lone 4 89 - 5 - HE3 LYS 65 - HB3 MET 21 lone 4 81 - 5 - Peak 4435 from cnoeabs.peaks (2.86, 2.63, 32.07 ppm; 4.08 A): 2 out of 9 assignments used, quality = 0.96: HB3 ASN 18 + HG2 MET 21 OK 81 100 - 81 - 3.5/1527=14, 3.5/4332=11...(24) HB2 ASN 18 + HG2 MET 21 OK 80 100 - 81 - 3.5/1527=14, 3.5/4332=11...(24) HB3 ASN 24 - HG2 MET 21 OK 37 99 - 37 - 4159/4.0=7, 4434/2.9=7...(8) HE3 LYS 17 - HG2 MET 21 OK 23 99 - 24 - 4436/1.8=3, ~4443=3...(13) HE2 LYS 17 - HG2 MET 21 OK 20 87 - 23 - 4436/1.8=3, ~4443=3...(12) HB3 ASN 63 - HG2 MET 21 OK 13 100 - 13 - 3.5/4423=3, 4159/4.0=2...(6) HB3 TYR 32 - HG2 MET 21 lone 7 99 - 7 - HE2 LYS 65 - HG2 MET 21 lone 4 89 - 5 - HE3 LYS 65 - HG2 MET 21 lone 4 81 - 4 - Peak 4436 from cnoeabs.peaks (2.86, 2.46, 32.07 ppm; 4.14 A): 3 out of 10 assignments used, quality = 0.99: HB3 ASN 18 + HG3 MET 21 OK 86 100 - 86 - 3.5/1534=14, 6029=12...(26) HB2 ASN 18 + HG3 MET 21 OK 86 100 - 86 - 3.5/1534=14, 6029=12...(26) HB3 ASN 24 + HG3 MET 21 OK 46 100 - 46 - 4159/4.0=8, 4434/2.9=7...(11) HE3 LYS 17 - HG3 MET 21 OK 25 100 - 25 - 4435/1.8=3, 4440/3.4=3...(13) HE2 LYS 17 - HG3 MET 21 OK 23 95 - 25 - 4440/3.4=3, ~4443=3...(12) HB3 ASN 63 - HG3 MET 21 OK 14 100 - 14 - 3.5/4425=3, 4159/4.0=2...(6) HB3 TYR 32 - HG3 MET 21 lone 7 100 - 7 - HE2 LYS 65 - HG3 MET 21 lone 4 78 - 5 - HE3 LYS 65 - HG3 MET 21 lone 3 68 - 5 - HB2 ASN 90 - HG3 MET 21 lone 2 65 - 2 - Peak 4437 from cnoeabs.peaks (0.73, 2.46, 32.07 ppm; 4.62 A): 3 out of 7 assignments used, quality = 0.94: QG2 VAL 20 + HG3 MET 21 OK 70 100 - 70 - 4.3/1534=17, 4438/1.8=12...(14) QG1 VAL 20 + HG3 MET 21 OK 65 93 - 70 - 4.3/1534=17, 4438/1.8=11...(16) QD1 LEU 79 + HG3 MET 21 OK 40 100 - 39 - 5847/2.9=8, 4438/1.8=7...(10) QD2 LEU 76 - HG3 MET 21 OK 28 90 - 31 - 4441/3.4=5, 4438/1.8=4...(10) HG2 LYS 26 - HG3 MET 21 OK 15 90 - 17 - 4438/1.8=2, 4.9/95=2...(7) QD1 LEU 12 - HG3 MET 21 OK 13 93 - 14 - 4438/1.8=2, 4432/4.0=2...(5) HG3 LYS 64 - HG3 MET 21 lone 4 68 - 6 - ~4444=1 Peak 4438 from cnoeabs.peaks (0.73, 2.63, 32.07 ppm; 4.61 A): 3 out of 7 assignments used, quality = 0.94: QG2 VAL 20 + HG2 MET 21 OK 72 100 - 72 - 4.3/575=24, 4437/1.8=12...(15) QG1 VAL 20 + HG2 MET 21 OK 67 93 - 72 - 4.3/575=24, 4437/1.8=11...(16) QD1 LEU 79 + HG2 MET 21 OK 39 100 - 39 - 5847/2.9=8, 4437/1.8=7...(10) QD2 LEU 76 - HG2 MET 21 OK 26 90 - 29 - 4441/3.4=5, 4437/1.8=5...(9) HG2 LYS 26 - HG2 MET 21 OK 14 90 - 15 - 4437/1.8=3, 4441/3.4=2...(7) QD1 LEU 12 - HG2 MET 21 OK 13 93 - 14 - 4437/1.8=2, 4432/4.0=2...(5) HG3 LYS 64 - HG2 MET 21 lone 5 68 - 7 - Peak 4439 from cnoeabs.peaks (0.74, 2.15, 32.01 ppm; 5.24 A): 3 out of 7 assignments used, quality = 0.97: QG1 VAL 20 + HB3 MET 21 OK 79 100 - 80 - 4.3/574=26, 4432/3.0=12...(16) QG2 VAL 20 + HB3 MET 21 OK 74 95 - 79 - 4.3/574=26, 4432/3.0=12...(16) QD1 LEU 79 + HB3 MET 21 OK 47 99 - 47 - 5847=9, 2.1/5852=7...(9) QD2 LEU 76 - HB3 MET 21 OK 22 65 - 33 - 4432/3.0=5, 4437/2.9=4...(11) HG2 LYS 26 - HB3 MET 21 OK 20 100 - 20 - 4437/2.9=2, 6162/1.8=2...(7) QD1 LEU 12 - HB3 MET 21 OK 17 100 - 17 - 62/4.0=2, 4432/3.0=2...(6) QD1 LEU 30 - HB3 MET 21 lone 7 65 - 10 - 2.1/4587=3 Peak 4440 from cnoeabs.peaks (2.84, 2.06, 17.06 ppm; 3.85 A): 5 out of 9 assignments used, quality = 0.94: HB2 ASN 18 + QE MET 21 OK 61 90 - 68 - 3.5/4427=14, 3.5/1541=9...(20) HB3 ASN 18 + QE MET 21 OK 60 89 - 68 - 3.5/4427=14, 3.5/1541=9...(20) HE2 LYS 17 + QE MET 21 OK 31 100 - 31 - 3.0/4443=6, 3.0/4443=6...(10) HE3 LYS 17 + QE MET 21 OK 29 95 - 31 - 3.0/4443=6, 3.0/4443=6...(11) HB3 ASN 24 + QE MET 21 OK 23 93 - 25 - 4335/4.2=4, 4159/5.3=4...(9) HE2 LYS 56 - QE MET 21 poor 9 65 - 14 - 3.0/4444=8, 4.8/4443=2 HB3 ASN 63 - QE MET 21 lone 5 85 - 6 - 4159/5.3=1 HB3 TYR 32 - QE MET 21 lone 5 95 - 5 - HB2 ASN 90 - QE MET 21 lone 2 97 - 2 - Peak 4441 from cnoeabs.peaks (0.73, 2.06, 17.06 ppm; 4.29 A): 4 out of 7 assignments used, quality = 0.85: QG2 VAL 20 + QE MET 21 OK 49 100 - 49 - 4.3/1541=11, 4438/3.4=8...(11) QG1 VAL 20 + QE MET 21 OK 41 85 - 49 - 4.3/1541=11, 4438/3.4=7...(12) QD1 LEU 79 + QE MET 21 OK 34 97 - 34 - 5847/4.2=6, 3.1/4442=5...(10) QD2 LEU 76 + QE MET 21 OK 26 97 - 27 - 5772=4, 4437/3.4=3...(11) HG2 LYS 26 - QE MET 21 poor 10 81 - 12 - 4437/3.4=2, 4438/3.4=2...(4) QD1 LEU 12 - QE MET 21 poor 9 85 - 11 - 4438/3.4=1, 4437/3.4=1...(4) HG3 LYS 64 - QE MET 21 lone 5 81 - 6 - 2.9/4444=2 Peak 4442 from cnoeabs.peaks (1.25, 2.06, 17.06 ppm; 4.28 A): 4 out of 9 assignments used, quality = 0.63: HG2 LYS 17 + QE MET 21 OK 31 97 - 32 - 3.0/4443=8, 3.0/4443=8...(7) HG3 LYS 17 + QE MET 21 OK 26 81 - 32 - 3.0/4443=8, 3.0/4443=8...(7) HB2 LEU 79 + QE MET 21 OK 18 100 - 17 - 3.1/4441=6, 3.0/4443=4...(4) HG3 LYS 56 + QE MET 21 OK 11 57 - 20 - 3.0/4444=9, 2.9/4443=5...(4) HB3 LEU 23 - QE MET 21 lone 7 97 - 7 - 3.9/75=3 HG3 LYS 65 - QE MET 21 lone 5 93 - 6 - 2.8/4444=2 HD3 LYS 68 - QE MET 21 lone 3 76 - 4 - HD2 LYS 68 - QE MET 21 lone 3 73 - 4 - HG13 ILE 35 - QE MET 21 lone 2 83 - 3 - Peak 4443 from cnoeabs.peaks (1.49, 2.06, 17.06 ppm; 4.15 A): 4 out of 14 assignments used, quality = 0.70: HD3 LYS 17 + QE MET 21 OK 32 87 - 37 - 3.0/4442=9, 3.0/4442=7...(11) HD2 LYS 17 + QE MET 21 OK 32 87 - 37 - 3.0/4442=9, 3.0/4442=7...(11) HB2 LYS 56 + QE MET 21 OK 19 97 - 20 - 3.4/4444=8, 2.9/4442=3...(4) HG LEU 79 + QE MET 21 OK 18 90 - 19 - 2.1/4441=7, 3.0/4442=5...(4) HB3 LEU 76 - QE MET 21 poor 10 60 - 16 - 3.1/4441=4, 4.6/1093=2...(7) QB ALA 72 - QE MET 21 lone 7 100 - 7 - 5674/4441=1 HB3 LYS 26 - QE MET 21 lone 4 65 - 6 - 2.9/4441=2 HG LEU 12 - QE MET 21 lone 4 63 - 6 - 2.1/4441=2 HG LEU 34 - QE MET 21 lone 3 73 - 5 - 5.1/6155=2 HB2 LEU 85 - QE MET 21 lone 2 78 - 3 - 4.3/3846=1 HG2 GLU 37 - QE MET 21 lone 2 97 - 2 - QB ALA 71 - QE MET 21 lone 2 60 - 3 - HG3 ARG 27 - QE MET 21 lone 1 65 - 2 - HB2 ARG 45 - QE MET 21 lone 1 87 - 1 - Peak 4444 from cnoeabs.peaks (1.55, 2.06, 17.06 ppm; 4.07 A): 0 out of 6 assignments used, low quality = 0.27: HB3 LYS 44 - QE MET 21 OK 18 98 - 19 - 2274/3.4=6, 4.8/1545=5...(5) HD2 LYS 56 - QE MET 21 OK 11 87 - 12 - 3.4/4443=4, 3.0/4442=3...(4) HB3 LEU 87 - QE MET 21 lone 3 87 - 3 - 4.2/3846=2 HD3 LYS 64 - QE MET 21 lone 2 68 - 3 - HD2 LYS 65 - QE MET 21 lone 2 65 - 3 - 2.8/4442=1 HG LEU 30 - QE MET 21 lone 1 97 - 1 - Peak 4448 from cnoeabs.peaks (4.14, 3.89, 59.27 ppm; 5.03 A): 3 out of 4 assignments used, quality = 0.91: HA MET 21 + HA GLU 22 OK 79 99 - 81 - 4155/3.6=16, ~959=14...(29) HA ALA 74 + HA GLU 22 OK 47 95 - 50 - 3.6/4163=15, 1026/3.6=10...(13) HB THR 83 + HA GLU 22 OK 22 96 - 23 - ~5941=12, 65/3.0=3...(4) HB2 SER 62 - HA GLU 22 lone 7 87 - 8 - ~4144=2, ~1024=1...(4) Peak 4449 from cnoeabs.peaks (0.73, 3.89, 59.27 ppm; 5.14 A): 3 out of 7 assignments used, quality = 0.97: QG2 VAL 20 + HA GLU 22 OK 75 100 - 75 - 4.0/4386=13, 3.2/4390=12...(24) QG1 VAL 20 + HA GLU 22 OK 69 93 - 74 - 4.0/4386=13, 3.2/4390=12...(20) QD2 LEU 76 + HA GLU 22 OK 66 90 - 73 - 5782/3.6=18, ~4451=10...(20) QD1 LEU 79 - HA GLU 22 OK 29 100 - 30 - 4468/3.6=7, 2.1/6122=4...(9) HG2 LYS 26 - HA GLU 22 OK 28 90 - 31 - 4452/3.0=5, 4468/3.6=4...(9) HG3 LYS 64 - HA GLU 22 OK 18 68 - 26 - 4462/4.0=3, 4465/4.0=3...(11) QD1 LEU 12 - HA GLU 22 OK 13 93 - 13 - 4468/3.6=2, 4447/3.0=1...(4) Peak 4450 from cnoeabs.peaks (1.09, 1.84, 29.30 ppm; 4.69 A): 6 out of 6 assignments used, quality = 0.82: HG3 LYS 14 + HB2 GLU 22 OK 32 97 - 33 - 4460/3.0=8, 4453/1.8=8...(6) QG2 THR 38 + HB2 GLU 22 OK 28 99 - 29 - 4453/1.8=7, 4460/3.0=6...(7) HG2 LYS 56 + HB2 GLU 22 OK 25 83 - 30 - 4453/1.8=7, 2.9/6121=4...(12) QG1 VAL 66 + HB2 GLU 22 OK 22 60 - 37 - 4463/3.0=8, 4460/3.0=7...(11) QG2 THR 13 + HB2 GLU 22 OK 21 92 - 23 - 4463/3.0=6, 4460/3.0=6...(6) QD2 LEU 34 + HB2 GLU 22 OK 21 65 - 31 - 4453/1.8=6, ~4459=3...(11) Peak 4451 from cnoeabs.peaks (0.88, 1.84, 29.30 ppm; 3.85 A): 6 out of 7 assignments used, quality = 0.87: QD1 LEU 76 + HB2 GLU 22 OK 59 100 - 59 - 4461/3.0=8, ~4465=8...(22) QB ALA 75 + HB2 GLU 22 OK 30 93 - 32 - ~4163=5, 4454/1.8=5...(11) HD3 LYS 26 + HB2 GLU 22 OK 27 92 - 30 - ~6161=3, ~4464=3...(12) QD1 LEU 85 + HB2 GLU 22 OK 18 99 - 18 - 5958=4, 4454/1.8=2...(4) QD1 LEU 87 + HB2 GLU 22 OK 15 97 - 15 - 5958=4, 4.8/1554=2...(6) HB3 LEU 30 + HB2 GLU 22 OK 11 92 - 11 - 589/4.6=2, ~4587=1...(5) QD2 LEU 30 - HB2 GLU 22 poor 9 93 - 10 - 4587/3.0=2, 4454/1.8=1...(4) Peak 4452 from cnoeabs.peaks (0.73, 1.84, 29.30 ppm; 4.70 A): 4 out of 7 assignments used, quality = 0.96: QD2 LEU 76 + HB2 GLU 22 OK 68 90 - 75 - 2.1/4451=16, 5782/4.6=12...(22) QG2 VAL 20 + HB2 GLU 22 OK 55 100 - 55 - 4404/3.0=10, 4468/4.6=6...(16) QG1 VAL 20 + HB2 GLU 22 OK 54 93 - 58 - 4449/3.0=7, 4416/4.0=7...(18) HG2 LYS 26 + HB2 GLU 22 OK 37 90 - 41 - ~6161=7, 3.0/4451=6...(14) QD1 LEU 79 - HB2 GLU 22 OK 26 100 - 26 - 4468/4.6=5, 4.0/4144=3...(8) HG3 LYS 64 - HB2 GLU 22 OK 18 68 - 27 - 4462/3.0=3, 4465/3.0=3...(14) QD1 LEU 12 - HB2 GLU 22 poor 10 93 - 10 - 4468/4.6=1, 4449/3.0=1 Peak 4453 from cnoeabs.peaks (1.08, 1.94, 29.30 ppm; 4.81 A): 5 out of 10 assignments used, quality = 0.76: HG3 LYS 14 + HB3 GLU 22 OK 29 90 - 32 - 4450/1.8=9, 4460/3.0=7...(5) HG2 LYS 56 + HB3 GLU 22 OK 27 92 - 29 - 4450/1.8=7, 2.9/6120=4...(12) QG2 THR 38 + HB3 GLU 22 OK 26 100 - 26 - 4450/1.8=8, 4460/3.0=5...(5) QD2 LEU 34 + HB3 GLU 22 OK 24 78 - 31 - 4450/1.8=6, ~4459=4...(11) QG2 THR 13 + HB3 GLU 22 OK 17 83 - 21 - 4450/1.8=6, 4460/3.0=5...(4) HG2 LYS 56 - HB2 GLU 77 lone 5 74 - 6 - QG2 THR 38 - HB2 GLU 77 lone 5 85 - 5 - QG2 THR 13 - HB2 GLU 77 lone 4 65 - 7 - 6153/1.8=1 QD2 LEU 34 - HB2 GLU 77 lone 3 60 - 6 - 4.7/150=2 HG3 LYS 14 - HB2 GLU 77 lone 3 72 - 4 - Peak 4454 from cnoeabs.peaks (0.88, 1.94, 29.30 ppm; 3.95 A): 5 out of 16 assignments used, quality = 0.94: QD1 LEU 76 + HB3 GLU 22 OK 67 100 - 67 - 4451/1.8=13, 4461/3.0=9...(22) QB ALA 75 + HB3 GLU 22 OK 43 98 - 44 - 4451/1.8=7, ~4163=5...(15) QD1 LEU 76 + HB2 GLU 77 OK 36 85 - 42 - 4080/4.0=7, 5781/4.1=6...(16) QB ALA 75 + HB2 GLU 77 OK 30 81 - 37 - 361/4.0=7, 5741/4.1=6...(15) HD3 LYS 26 + HB3 GLU 22 OK 26 83 - 31 - 4451/1.8=6, ~6161=4...(12) HD2 LYS 26 - HB3 GLU 22 OK 18 63 - 28 - ~4451=4, 4464/3.0=4...(11) QD1 LEU 85 - HB3 GLU 22 OK 17 96 - 18 - 4451/1.8=4, 4461/3.0=2...(5) QD1 LEU 87 - HB3 GLU 22 OK 13 92 - 14 - 4451/1.8=3, 4.8/1560=2...(5) QD2 LEU 30 - HB3 GLU 22 OK 13 98 - 13 - 4587/3.0=3, 4451/1.8=2...(5) HD3 LYS 26 - HB2 GLU 77 OK 11 65 - 18 - 361/4.0=2, ~4528=2...(7) HB3 LEU 30 - HB3 GLU 22 OK 11 83 - 13 - 4451/1.8=2, ~4587=1...(6) QD2 LEU 30 - HB2 GLU 77 OK 10 81 - 13 - 5810/4.1=3, 361/4.0=2...(4) QD1 LEU 87 - HB2 GLU 77 poor 9 74 - 12 - 361/4.0=2, 5810/4.1=2...(6) QD1 LEU 85 - HB2 GLU 77 lone 8 78 - 10 - 361/4.0=2, 5810/4.1=1 HD2 LYS 26 - HB2 GLU 77 poor 7 47 - 15 - ~4528=2, 4507/1.8=1...(6) HB3 LEU 30 - HB2 GLU 77 lone 6 65 - 10 - 361/4.0=1, 5810/4.1=1 Peak 4455 from cnoeabs.peaks (0.72, 1.94, 29.30 ppm; 4.56 A): 4 out of 16 assignments used, quality = 0.98: QD2 LEU 76 + HB3 GLU 22 OK 78 99 - 79 - 4465/3.0=15, 4462/3.0=14...(22) QG2 VAL 20 + HB3 GLU 22 OK 63 99 - 64 - 4404/3.0=9, 4452/1.8=7...(18) QD2 LEU 76 + HB2 GLU 77 OK 47 84 - 56 - 362/4.0=10, 5786/4.1=10...(19) QG1 VAL 20 + HB3 GLU 22 OK 46 73 - 62 - 4452/1.8=7, 4449/3.0=6...(19) QG2 VAL 20 - HB2 GLU 77 OK 43 82 - 53 - 4399/3.0=9, 4404/3.0=8...(17) HG3 LYS 64 - HB3 GLU 22 OK 32 90 - 35 - 4462/3.0=5, 4465/3.0=5...(15) HG2 LYS 26 - HB3 GLU 22 OK 27 68 - 40 - ~6161=6, ~4459=5...(15) QD1 LEU 79 - HB3 GLU 22 OK 24 92 - 26 - 4468/4.6=5, 4452/1.8=3...(9) QG1 VAL 20 - HB2 GLU 77 OK 24 56 - 42 - 4395/3.0=7, ~4399=6...(14) QD1 LEU 79 - HB2 GLU 77 OK 19 74 - 25 - 5866/4.1=8, 362/4.0=4...(6) QG1 VAL 50 - HB3 GLU 22 OK 10 71 - 15 - 4465/3.0=2, 4462/3.0=2...(4) HG3 LYS 64 - HB2 GLU 77 poor 10 72 - 13 - 362/4.0=5, 6191=1 QD1 LEU 12 - HB3 GLU 22 poor 7 73 - 10 - 4452/1.8=1, 4468/4.6=1 HG2 LYS 26 - HB2 GLU 77 poor 7 52 - 13 - 6162/1.8=2, ~4507=2...(5) QG1 VAL 50 - HB2 GLU 77 lone 5 54 - 9 - 362/4.0=2 QD1 LEU 12 - HB2 GLU 77 lone 4 56 - 7 - ~5803=1 Peak 4456 from cnoeabs.peaks (3.98, 2.07, 36.01 ppm; 4.79 A): 7 out of 7 assignments used, quality = 0.94: HA GLU 25 + HG2 GLU 22 OK 63 99 - 64 - 4144/3.0=12, 4457/1.8=11...(18) HA PRO 19 + HG2 GLU 22 OK 53 99 - 54 - 4147/5.0=13, 4142/5.0=12...(8) HA ALA 72 + HG2 GLU 22 OK 31 87 - 36 - 4144/3.0=4, 2.1/6119=4...(14) HA ALA 71 + HG2 GLU 22 OK 21 95 - 22 - 4457/1.8=3, 2.1/6119=3...(10) HA LEU 79 + HG2 GLU 22 OK 13 65 - 21 - 1029/5.0=5, 4144/3.0=4...(7) HB3 SER 62 + HG2 GLU 22 OK 12 97 - 12 - 4457/1.8=2, 4144/3.0=2...(5) HA3 GLY 16 + HG2 GLU 22 OK 12 99 - 11 - 4144/3.0=2, 4457/1.8=2...(5) Peak 4457 from cnoeabs.peaks (3.99, 2.12, 36.01 ppm; 4.91 A): 7 out of 7 assignments used, quality = 0.92: HA GLU 25 + HG3 GLU 22 OK 58 87 - 66 - 4144/3.0=13, 4456/1.8=12...(18) HA PRO 19 + HG3 GLU 22 OK 55 100 - 55 - 4147/5.0=14, 4142/5.0=13...(8) HA ALA 72 + HG3 GLU 22 OK 21 60 - 35 - 4456/1.8=6, 4144/3.0=5...(11) HA LEU 79 + HG3 GLU 22 OK 19 90 - 21 - 1029/5.0=5, 4144/3.0=4...(7) HA ALA 71 + HG3 GLU 22 OK 16 73 - 22 - 4456/1.8=4, 4144/3.0=3...(10) HB3 SER 62 + HG3 GLU 22 OK 12 100 - 12 - 4144/3.0=2, 4456/1.8=2...(5) HA3 GLY 16 + HG3 GLU 22 OK 10 87 - 11 - 4456/1.8=2, 4144/3.0=2...(5) Peak 4458 from cnoeabs.peaks (1.51, 2.12, 36.01 ppm; 4.70 A): 8 out of 14 assignments used, quality = 0.92: QB ALA 72 + HG3 GLU 22 OK 33 93 - 35 - 4201/4.0=6, 6119/1.8=4...(11) HB3 LYS 26 + HG3 GLU 22 OK 33 97 - 34 - 2.9/6161=9, 6119/1.8=5...(9) HB2 LYS 56 + HG3 GLU 22 OK 28 99 - 28 - 6119/1.8=4, 6121/3.0=3...(11) HG LEU 34 + HG3 GLU 22 OK 28 99 - 28 - 2.1/4459=6, 6119/1.8=4...(11) HD3 LYS 17 + HG3 GLU 22 OK 26 100 - 26 - 6119/1.8=4, ~6119=3...(9) HD2 LYS 17 + HG3 GLU 22 OK 26 100 - 26 - 6119/1.8=4, ~6119=3...(9) HD3 LYS 64 + HG3 GLU 22 OK 25 89 - 29 - 2.9/4462=7, ~4465=5...(11) HB2 LEU 85 + HG3 GLU 22 OK 21 99 - 21 - 6119/1.8=3, 3.1/4461=3...(9) QB ALA 71 - HG3 GLU 22 OK 21 95 - 22 - 2.1/4457=3, 6119/1.8=3...(8) HG2 GLU 37 - HG3 GLU 22 OK 17 100 - 17 - 2185/3.0=2, 6119/1.8=2...(7) HD2 LYS 56 - HG3 GLU 22 OK 15 71 - 21 - ~4453=3, ~4450=3...(10) HB3 LEU 87 - HG3 GLU 22 OK 13 71 - 18 - 4.2/1572=4, 3.1/4461=2...(7) HG3 ARG 27 - HG3 GLU 22 lone 4 97 - 4 - HB2 ARG 45 - HG3 GLU 22 lone 4 100 - 4 - Peak 4459 from cnoeabs.peaks (1.21, 2.12, 36.01 ppm; 5.26 A): 5 out of 8 assignments used, quality = 0.87: HG3 LYS 26 + HG3 GLU 22 OK 51 99 - 52 - 6161=16, ~4464=6...(14) HG2 LYS 14 + HG3 GLU 22 OK 41 97 - 43 - 1.8/4460=13, 6161=13...(6) QD1 LEU 34 + HG3 GLU 22 OK 33 100 - 33 - ~4453=4, 2.1/4458=4...(13) QG2 THR 83 + HG3 GLU 22 OK 19 100 - 19 - 5941/5.0=14, ~5935=1 HG2 LYS 17 + HG3 GLU 22 OK 17 65 - 26 - 3.0/4458=3, 3.0/4458=3...(10) HD2 LYS 68 - HG3 GLU 22 lone 9 93 - 10 - 6114/4462=1 HD3 LYS 68 - HG3 GLU 22 lone 9 92 - 10 - 6114/4462=1 HG13 ILE 35 - HG3 GLU 22 lone 5 87 - 5 - 4719/5.0=1 Peak 4460 from cnoeabs.peaks (1.10, 2.12, 36.01 ppm; 5.07 A): 4 out of 4 assignments used, quality = 0.75: HG3 LYS 14 + HG3 GLU 22 OK 36 100 - 36 - 4463/1.8=12, 1.8/6161=10...(6) QG1 VAL 66 + HG3 GLU 22 OK 32 87 - 37 - 4463/1.8=13, 4450/3.0=5...(10) QG2 THR 38 + HG3 GLU 22 OK 25 85 - 29 - 4463/1.8=8, 4450/3.0=6...(6) QG2 THR 13 + HG3 GLU 22 OK 25 100 - 25 - 4463/1.8=10, 4450/3.0=5...(6) Peak 4461 from cnoeabs.peaks (0.87, 2.12, 36.01 ppm; 4.05 A): 7 out of 9 assignments used, quality = 0.90: QD1 LEU 76 + HG3 GLU 22 OK 63 99 - 64 - 2.1/4462=18, ~4465=13...(15) QB ALA 75 + HG3 GLU 22 OK 34 100 - 34 - 4464/1.8=7, 4451/3.0=5...(9) HD2 LYS 26 + HG3 GLU 22 OK 22 76 - 30 - 4464/1.8=6, 3.0/6161=6...(10) HD3 LYS 26 + HG3 GLU 22 OK 22 71 - 31 - 3.0/6161=6, ~4464=5...(11) QD1 LEU 85 + HG3 GLU 22 OK 14 89 - 15 - 4451/3.0=3, 3.1/4458=2...(6) QD2 LEU 30 + HG3 GLU 22 OK 11 100 - 11 - 4587=3, 4464/1.8=2...(4) QD1 LEU 87 + HG3 GLU 22 OK 11 83 - 13 - 4.8/1572=3, 4451/3.0=3...(5) HB3 LEU 30 - HG3 GLU 22 poor 8 71 - 11 - 3.1/4587=2, 4451/3.0=2...(4) QD2 LEU 87 - HG3 GLU 22 poor 8 60 - 13 - 4.8/1572=3, 4464/1.8=2...(5) Peak 4462 from cnoeabs.peaks (0.70, 2.12, 36.01 ppm; 4.17 A): 3 out of 4 assignments used, quality = 0.79: QD2 LEU 76 + HG3 GLU 22 OK 63 97 - 65 - 4465/1.8=20, 2.1/4461=12...(17) QG2 VAL 20 + HG3 GLU 22 OK 27 73 - 36 - 4465/1.8=8, 4404/4.0=5...(13) HG3 LYS 64 + HG3 GLU 22 OK 24 100 - 23 - 4465/1.8=7, 6191/3.0=3...(7) QG1 VAL 50 - HG3 GLU 22 lone 10 98 - 10 - 4465/1.8=3, 5014/3.0=1 Peak 4463 from cnoeabs.peaks (1.10, 2.07, 36.01 ppm; 4.84 A): 4 out of 4 assignments used, quality = 0.77: QG1 VAL 66 + HG2 GLU 22 OK 37 95 - 39 - 4460/1.8=10, 6153=9...(11) HG3 LYS 14 + HG2 GLU 22 OK 34 100 - 34 - 4460/1.8=11, ~6161=7...(6) QG2 THR 13 + HG2 GLU 22 OK 28 100 - 28 - 6153=9, 4460/1.8=8...(5) QG2 THR 38 + HG2 GLU 22 OK 22 73 - 30 - 4460/1.8=8, 6153=6...(6) Peak 4464 from cnoeabs.peaks (0.86, 2.07, 36.01 ppm; 4.08 A): 6 out of 9 assignments used, quality = 0.86: QD1 LEU 76 + HG2 GLU 22 OK 52 85 - 61 - 2.1/4465=18, ~4462=12...(15) QB ALA 75 + HG2 GLU 22 OK 38 99 - 39 - 4461/1.8=6, 3213=5...(11) HD2 LYS 26 + HG2 GLU 22 OK 34 96 - 35 - ~6161=5, ~4459=4...(12) QD2 LEU 87 + HG2 GLU 22 OK 12 87 - 14 - 4.8/1566=3, ~5958=2...(5) QD2 LEU 73 + HG2 GLU 22 OK 12 78 - 15 - 6147/3.0=2, 3197/4.0=2...(5) QD2 LEU 30 + HG2 GLU 22 OK 11 99 - 11 - 4587/1.8=3, 4451/3.0=1 QD2 LEU 85 - HG2 GLU 22 poor 10 71 - 14 - ~4451=2, ~5958=2...(5) QD1 LEU 85 - HG2 GLU 22 poor 8 63 - 13 - 4461/1.8=3, 4451/3.0=2...(5) QG2 VAL 47 - HG2 GLU 22 lone 5 81 - 6 - Peak 4465 from cnoeabs.peaks (0.70, 2.07, 36.01 ppm; 4.10 A): 4 out of 4 assignments used, quality = 0.83: QD2 LEU 76 + HG2 GLU 22 OK 66 97 - 68 - 4462/1.8=19, 2.1/4464=10...(19) QG2 VAL 20 + HG2 GLU 22 OK 28 73 - 38 - 4462/1.8=8, 4404/4.0=5...(14) HG3 LYS 64 + HG2 GLU 22 OK 23 100 - 23 - 4462/1.8=7, 6191/3.0=3...(7) QG1 VAL 50 + HG2 GLU 22 OK 11 98 - 11 - 4462/1.8=3, 5014/3.0=1 Peak 4469 from cnoeabs.peaks (0.72, 2.02, 40.48 ppm; 4.09 A): 3 out of 16 assignments used, quality = 0.96: QD2 LEU 76 + HB2 LEU 23 OK 74 99 - 75 - 5785/4.6=15, 5782/3.9=13...(23) QD1 LEU 79 + HB2 LEU 23 OK 69 92 - 75 - 5848=9, 4470/1.8=9...(31) QG2 VAL 20 + HB2 LEU 23 OK 47 99 - 48 - 3.2/4151=12, ~4153=10...(10) QG1 VAL 50 - HB2 LEU 23 OK 41 71 - 58 - ~4480=17, ~4481=16...(11) QG1 VAL 20 - HB2 LEU 23 OK 38 73 - 52 - 4414/4.6=13, 3.2/4151=12...(11) HG2 LYS 26 - HB2 LEU 23 OK 33 68 - 48 - ~4521=5, ~4523=5...(21) QG2 VAL 20 - HE3 LYS 68 OK 22 35 - 62 - 4399/1.8=17, ~4395=14...(14) QD1 LEU 79 - HE3 LYS 68 OK 13 31 - 42 - 5565/1.8=7, 3411/3.7=4...(17) QG1 VAL 20 - HE3 LYS 68 OK 11 22 - 51 - 4395/1.8=16, ~4399=12...(12) QD1 LEU 12 - HB2 LEU 23 OK 11 73 - 15 - ~4471=1, 4468/3.9=1, 4489/4.6=1 HG2 LYS 26 - HE3 LYS 68 poor 9 20 - 43 - 5565/1.8=7, ~3096=4...(19) QD2 LEU 76 - HE3 LYS 68 poor 9 36 - 24 - 6114/3.0=5, 6114/3.0=5...(7) HG3 LYS 64 - HB2 LEU 23 lone 6 90 - 7 - 4470/1.8=1, 4468/3.9=1 QD1 LEU 12 - HE3 LYS 68 poor 6 22 - 26 - 5565/1.8=4, 1190/3.7=3...(9) HG3 LYS 64 - HE3 LYS 68 poor 5 30 - 17 - ~5434=3, 2859/3.7=2...(5) QG1 VAL 50 - HE3 LYS 68 lone 1 21 - 5 - 5013=1 Peak 4470 from cnoeabs.peaks (0.71, 1.26, 40.48 ppm; 4.21 A): 4 out of 5 assignments used, quality = 0.98: QD2 LEU 76 + HB3 LEU 23 OK 79 100 - 79 - 5785/4.6=16, 5773=14...(26) QD1 LEU 79 + HB3 LEU 23 OK 64 81 - 79 - 2.1/3414=9, 2.1/4471=9...(33) QG2 VAL 20 + HB3 LEU 23 OK 52 93 - 56 - 3.2/4153=15, 4402=10...(15) QG1 VAL 50 + HB3 LEU 23 OK 50 85 - 59 - ~4480=19, ~4481=17...(10) HG3 LYS 64 - HB3 LEU 23 poor 10 97 - 10 - 4.9/816=1, 4468/3.9=1 Peak 4471 from cnoeabs.peaks (1.48, 1.26, 40.48 ppm; 4.32 A): 3 out of 12 assignments used, quality = 0.98: HG LEU 79 + HB3 LEU 23 OK 82 100 - 82 - 2.1/3414=10, 2.1/3407=10...(33) QB ALA 72 + HB3 LEU 23 OK 65 95 - 69 - 6102/1.8=18, 5672=17...(18) HB3 LEU 76 + HB3 LEU 23 OK 63 87 - 73 - 3.1/5773=10, 3.0/4477=10...(22) HG3 LYS 78 - HB3 LEU 23 OK 34 73 - 47 - 5815/3.1=6, 2.8/1594=4...(19) HB2 LYS 56 - HB3 LEU 23 OK 21 81 - 25 - 4472/1.8=2, 4478/3.1=2...(11) HG LEU 12 - HB3 LEU 23 OK 19 89 - 21 - 4467/3.9=2, 3400=1...(5) HD3 LYS 17 - HB3 LEU 23 OK 17 60 - 28 - ~1588=2, 4472/1.8=2...(14) HD2 LYS 17 - HB3 LEU 23 OK 17 60 - 28 - ~1588=2, 4472/1.8=2...(14) HG2 GLU 37 - HB3 LEU 23 lone 7 78 - 9 - 3.0/4477=1, 1.8/4477=1 HD2 LYS 64 - HB3 LEU 23 lone 6 71 - 9 - 2.9/4470=1 HB3 ARG 45 - HB3 LEU 23 lone 2 65 - 3 - HB2 ARG 45 - HB3 LEU 23 lone 2 60 - 3 - Peak 4472 from cnoeabs.peaks (1.49, 2.02, 40.48 ppm; 4.25 A): 3 out of 28 assignments used, quality = 0.95: HG LEU 79 + HB2 LEU 23 OK 70 90 - 78 - 3.0/1588=9, 4471/1.8=8...(29) QB ALA 72 + HB2 LEU 23 OK 70 100 - 70 - 6102=20, 5672/1.8=16...(18) HB3 LEU 76 + HB2 LEU 23 OK 44 60 - 73 - 3.0/4476=9, 2.9/1586=8...(24) HB2 LEU 85 - HB2 LEU 23 OK 28 78 - 36 - 3.1/1590=3, 1.8/1589=3...(11) HB3 LYS 26 - HB2 LEU 23 OK 27 65 - 42 - ~4521=7, ~6159=6...(12) HB2 LYS 56 - HB2 LEU 23 OK 25 97 - 25 - 4478/3.1=2, 5212=2...(9) HD2 LYS 17 - HB2 LEU 23 OK 24 87 - 28 - 3.0/1588=3, 3.0/1588=2...(13) HD3 LYS 17 - HB2 LEU 23 OK 24 87 - 28 - 3.0/1588=3, 3.0/1588=2...(13) HG3 ARG 27 - HB2 LEU 23 OK 20 65 - 31 - ~4548=5, 6076/3.1=3...(12) QB ALA 71 - HB2 LEU 23 OK 14 60 - 23 - 4.2/6102=11, 5661/3.1=2...(5) HG LEU 79 - HE3 LYS 68 OK 10 30 - 35 - ~5565=5, ~3098=4...(18) HG LEU 12 - HB2 LEU 23 OK 10 63 - 16 - 4471/1.8=2, 4467/3.9=2...(5) HG2 GLU 37 - HB2 LEU 23 lone 8 97 - 9 - HB2 LYS 56 - HE3 LYS 68 poor 8 34 - 25 - ~3097=3, 1.8/5214=3...(9) HB3 LYS 26 - HE3 LYS 68 poor 8 19 - 42 - ~3096=6, ~5565=4...(17) HG LEU 34 - HE3 LYS 68 poor 8 22 - 35 - 2095/3.0=4, 2095/3.0=4...(16) HD3 LYS 17 - HE3 LYS 68 poor 6 28 - 21 - ~5564=3, ~3096=2...(10) HD2 LYS 17 - HE3 LYS 68 poor 6 28 - 21 - ~5564=3, ~3096=2...(10) HG LEU 34 - HB2 LEU 23 lone 6 73 - 8 - QB ALA 72 - HE3 LYS 68 poor 5 37 - 13 - 5672/4.9=3, 5682/4150=2...(6) HG LEU 12 - HE3 LYS 68 poor 4 18 - 21 - ~5565=3, ~3095=3...(10) QB ALA 71 - HE3 LYS 68 poor 4 17 - 21 - 4196/6.0=9, 5661/3.7=5 HB2 ARG 45 - HB2 LEU 23 lone 2 87 - 3 - HB3 LEU 76 - HE3 LYS 68 poor 2 17 - 12 - ~6114=2, ~6115=2...(4) HG2 GLU 37 - HE3 LYS 68 lone 2 34 - 6 - 4779/3.0=1, 4779/3.0=1 HB2 LEU 85 - HE3 LYS 68 lone 1 24 - 4 - HB2 ARG 45 - HE3 LYS 68 lone 1 28 - 2 - HG3 ARG 27 - HE3 LYS 68 lone 0 19 - 3 - Peak 4476 from cnoeabs.peaks (1.81, 2.02, 40.48 ppm; 4.40 A): 6 out of 26 assignments used, quality = 0.89: HG LEU 76 + HB2 LEU 23 OK 71 100 - 72 - 4477/1.8=12, 3237/3.0=9...(21) HD3 LYS 78 + HB2 LEU 23 OK 23 68 - 34 - 5816/3.1=5, 4477/1.8=4...(14) HB2 LYS 65 + HB2 LEU 23 OK 22 78 - 28 - 4477/1.8=5, 3.0/1588=3...(11) HB2 MET 48 + HB2 LEU 23 OK 14 90 - 16 - 4477/1.8=3, ~4857=2...(6) HB2 MET 48 + HE3 LYS 68 OK 13 30 - 42 - 4878/6.0=12, 4852/3.7=6...(12) HB2 LYS 91 + HB2 LEU 23 OK 12 89 - 13 - 4.0/3853=4, 4477/1.8=2 HB3 GLU 33 - HE3 LYS 68 poor 10 37 - 26 - ~2048=6, 2054/1.8=5...(10) HG2 GLU 51 - HB2 LEU 23 lone 9 100 - 9 - 4477/1.8=2, ~4477=1 HG3 GLU 51 - HB2 LEU 23 lone 9 100 - 9 - 4477/1.8=2, ~4477=1 HB3 GLU 33 - HB2 LEU 23 lone 8 100 - 8 - 4492/4.6=1, 4477/1.8=1 HB2 GLU 37 - HB2 LEU 23 lone 8 99 - 7 - 4477/1.8=1 HG3 GLU 37 - HB2 LEU 23 lone 6 78 - 7 - 4477/1.8=1 HG LEU 76 - HE3 LYS 68 poor 6 37 - 15 - ~6114=3, ~6115=2...(4) HB2 LYS 65 - HE3 LYS 68 poor 6 24 - 23 - ~5559=8, ~5555=4...(7) HB2 LYS 31 - HB2 LEU 23 lone 4 76 - 5 - 4479/3.1=1 HB2 LYS 44 - HE3 LYS 68 poor 4 37 - 11 - ~3097=2, 2260/3.7=2...(5) HB2 LYS 44 - HB2 LEU 23 lone 4 100 - 4 - HB2 ARG 28 - HB2 LEU 23 lone 4 76 - 5 - HG3 GLU 37 - HE3 LYS 68 lone 2 24 - 9 - 4878/6.0=3, 4852/3.7=1, ~4779=1 HG3 GLU 51 - HE3 LYS 68 lone 2 37 - 4 - HG2 GLU 51 - HE3 LYS 68 lone 2 37 - 4 - HB2 GLU 37 - HE3 LYS 68 lone 2 36 - 4 - HD3 LYS 78 - HE3 LYS 68 lone 2 20 - 7 - HB2 LYS 31 - HE3 LYS 68 lone 1 23 - 5 - ~3096=1 HB2 LYS 91 - HE3 LYS 68 lone 1 29 - 3 - HB2 ARG 28 - HE3 LYS 68 lone 0 23 - 1 - Peak 4477 from cnoeabs.peaks (1.81, 1.26, 40.48 ppm; 4.63 A): 7 out of 13 assignments used, quality = 0.93: HG LEU 76 + HB3 LEU 23 OK 78 100 - 78 - 6171=16, 2.1/5773=13...(22) HB2 LYS 65 + HB3 LEU 23 OK 30 78 - 38 - 4476/1.8=4, 2922=3...(16) HD3 LYS 78 + HB3 LEU 23 OK 27 68 - 39 - 5816/3.1=5, ~5815=4...(13) HB2 MET 48 + HB3 LEU 23 OK 16 90 - 17 - 4476/1.8=2, ~4857=2...(6) HB2 LYS 91 + HB3 LEU 23 OK 13 89 - 14 - 4.0/3854=4, 3707/4.6=2...(4) HG2 GLU 51 + HB3 LEU 23 OK 11 100 - 11 - 4476/1.8=2, 5081=1, ~4476=1 HG3 GLU 51 + HB3 LEU 23 OK 11 100 - 11 - 4476/1.8=2, ~4476=1...(4) HB2 GLU 37 - HB3 LEU 23 lone 9 99 - 8 - 4476/1.8=1 HB3 GLU 33 - HB3 LEU 23 lone 8 100 - 8 - 4492/4.6=2, 4476/1.8=1 HG3 GLU 37 - HB3 LEU 23 lone 6 78 - 8 - 4476/1.8=1 HB2 LYS 31 - HB3 LEU 23 lone 5 76 - 6 - 4479/3.1=1 HB2 LYS 44 - HB3 LEU 23 lone 5 100 - 5 - HB2 ARG 28 - HB3 LEU 23 lone 5 76 - 6 - Peak 4478 from cnoeabs.peaks (1.49, 0.91, 26.04 ppm; 3.25 A): 10 out of 14 assignments used, quality = 0.95: QB ALA 72 + QD2 LEU 23 OK 57 100 - 58 - 5673=14, 6102/3.1=9...(19) HG LEU 79 + QD2 LEU 23 OK 50 90 - 56 - 2.1/1612=7, 3.0/1609=6...(26) HB3 LEU 76 + QD2 LEU 23 OK 22 60 - 36 - 2.9/1607=5, 4225/3.9=3...(17) HG3 ARG 27 + QD2 LEU 23 OK 18 65 - 27 - ~4548=3, 6076=3...(11) HB2 LEU 85 + QD2 LEU 23 OK 17 78 - 22 - 1.8/1610=3, 3.0/1610=2...(4) HB3 LYS 26 + QD2 LEU 23 OK 15 65 - 22 - 4.0/610=2, 4522/3.9=2...(12) QB ALA 71 + QD2 LEU 23 OK 14 60 - 23 - 4.2/5673=5, 3.7/5668=4...(8) HB2 LYS 56 + QD2 LEU 23 OK 14 97 - 14 - 4.6/5247=2, 2.9/1609=1 HD3 LYS 17 + QD2 LEU 23 OK 13 87 - 15 - 3.0/1609=2, 3.0/1609=2 HD2 LYS 17 + QD2 LEU 23 OK 13 87 - 15 - 3.0/1609=2, 3.0/1609=2 HG LEU 12 - QD2 LEU 23 lone 6 63 - 10 - HG2 GLU 37 - QD2 LEU 23 lone 4 97 - 4 - HG LEU 34 - QD2 LEU 23 lone 3 73 - 4 - HB2 ARG 45 - QD2 LEU 23 lone 1 87 - 1 - Peak 4479 from cnoeabs.peaks (1.79, 0.79, 22.27 ppm; 3.39 A): 7 out of 17 assignments used, quality = 0.84: HD3 LYS 78 + QD1 LEU 23 OK 34 100 - 34 - 2.9/5815=6, 5816=5...(14) HG LEU 76 + QD1 LEU 23 OK 32 83 - 38 - 3.6/1614=5, 4.9/4482=5...(13) HB2 ARG 27 + QD1 LEU 23 OK 31 96 - 32 - 1.8/4544=5, 2.9/4548=5...(12) HB2 LYS 65 + QD1 LEU 23 OK 18 100 - 18 - 3.0/1616=2, 3.0/5456=2...(5) HB2 MET 48 + QD1 LEU 23 OK 16 99 - 16 - 4.0/4868=2, 3.0/4857=2...(5) QB ALA 74 + QD1 LEU 23 OK 14 96 - 15 - 2.9/348=4, ~4069=2, ~347=2 HB2 LYS 31 + QD1 LEU 23 OK 12 100 - 12 - 4604/4481=4, 3.9/130=2 QE MET 11 - QD1 LEU 23 lone 8 85 - 10 - 4243=4, 4245/3.1=2 HB2 LYS 91 - QD1 LEU 23 lone 8 100 - 8 - 4.0/3857=2, 3707/5.0=1 HB2 ARG 28 - QD1 LEU 23 lone 6 100 - 6 - 4.0/4558=2 HG3 GLU 37 - QD1 LEU 23 lone 6 100 - 6 - HG2 GLU 51 - QD1 LEU 23 lone 5 83 - 6 - HG3 GLU 51 - QD1 LEU 23 lone 5 81 - 6 - HB3 ARG 28 - QD1 LEU 23 lone 5 81 - 6 - 4.0/4558=2 HB3 GLU 33 - QD1 LEU 23 lone 3 65 - 5 - HB2 GLU 37 - QD1 LEU 23 lone 2 63 - 4 - HB2 LYS 44 - QD1 LEU 23 lone 2 65 - 2 - Peak 4480 from cnoeabs.peaks (0.25, 0.91, 26.04 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.68: QG2 VAL 50 + QD2 LEU 23 OK 68 97 - 70 - 4481/2.1=28, 2.1/5024=12...(16) Peak 4481 from cnoeabs.peaks (0.26, 0.79, 22.27 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.69: QG2 VAL 50 + QD1 LEU 23 OK 69 100 - 69 - 4480/2.1=39, 2.1/5006=12...(15) Peak 4482 from cnoeabs.peaks (8.55, 0.79, 22.27 ppm; 4.44 A): 3 out of 4 assignments used, quality = 0.70: H LEU 76 + QD1 LEU 23 OK 47 100 - 47 - 4221/3.9=10, 3.0/1614=10...(15) H LEU 73 + QD1 LEU 23 OK 37 60 - 63 - 3.0/1614=10, 3.9/3180=7...(20) H ASP 82 + QD1 LEU 23 OK 11 100 - 11 - 4221/3.9=2, 4714/4483=2 H GLY 61 - QD1 LEU 23 lone 7 95 - 8 - 4221/3.9=1 Peak 4483 from cnoeabs.peaks (7.20, 0.79, 22.27 ppm; 3.48 A): 3 out of 3 assignments used, quality = 0.85: QD PHE 80 + QD1 LEU 23 OK 65 100 - 65 - 2.2/5874=30, 4708=11...(17) H LYS 78 + QD1 LEU 23 OK 38 100 - 38 - 4.6/896=4, 1097/3.9=3...(18) QE PHE 57 + QD1 LEU 23 OK 30 97 - 31 - 4664/2.1=6, 3442/5874=3...(9) Peak 4505 from cnoeabs.peaks (2.90, 3.97, 57.78 ppm; 4.87 A): 3 out of 8 assignments used, quality = 0.58: HB2 ASN 24 + HA GLU 25 OK 35 83 - 43 - 86/3.0=20, ~87=14...(4) HB2 ASN 63 + HA GLU 25 OK 24 96 - 25 - 86/3.0=8, ~87=6, ~5409=4...(6) HB3 PHE 80 + HA GLU 25 OK 15 99 - 15 - 86/3.0=4, 5892=3...(5) HE3 LYS 14 - HA GLU 25 lone 4 99 - 4 - 86/3.0=1, ~86=1 HE2 LYS 14 - HA GLU 25 lone 4 97 - 4 - 86/3.0=1, ~86=1 HB2 ASP 53 - HA GLU 25 lone 3 100 - 3 - HE3 LYS 65 - HA GLU 25 lone 2 89 - 2 - HE2 LYS 65 - HA GLU 25 lone 2 81 - 2 - Peak 4506 from cnoeabs.peaks (0.76, 2.10, 29.47 ppm; 6.01 A): 5 out of 16 assignments used, quality = 0.94: HG2 LYS 26 + HB3 GLU 25 OK 55 89 - 62 - 1698/4.6=31, 1.8/6161=12...(12) QD1 LEU 73 + HB3 GLU 25 OK 54 97 - 55 - 6103/3.0=13, 6104/3.0=9...(17) QD1 LEU 73 + HB3 GLU 77 OK 44 57 - 78 - 6103/3.0=23, 5705/4.0=15...(17) QD1 LEU 23 + HB3 GLU 25 OK 28 76 - 37 - 4.8/76=9, 4504/4.1=9...(14) QG1 VAL 20 + HB3 GLU 77 OK 27 46 - 59 - 4395/3.0=10, ~4399=9...(16) QG1 VAL 20 - HB3 GLU 25 OK 26 85 - 31 - 607/4.6=5, 4395/3.0=5...(7) QD1 LEU 30 - HB3 GLU 25 OK 21 100 - 21 - 607/4.6=5, 4504/4.1=5...(5) HG2 LYS 26 - HB3 GLU 77 OK 19 49 - 39 - 4.9/3863=8, 3.9/4528=5...(12) QD1 LEU 30 - HB3 GLU 77 OK 17 61 - 27 - 5811/4.1=7, 5808/4.0=5...(8) QD2 LEU 79 - HB3 GLU 77 OK 14 45 - 32 - 5870/4.1=11, 5808/4.0=5...(8) QD1 LEU 23 - HB3 GLU 77 OK 13 40 - 33 - 4483/4.1=10, 5808/4.0=5...(8) QD1 LEU 12 - HB3 GLU 25 OK 12 85 - 14 - 607/4.6=2, 4266/3.0=2...(4) QD2 LEU 79 - HB3 GLU 25 poor 9 83 - 11 - 4504/4.1=3 QD1 LEU 79 - HB3 GLU 77 poor 8 32 - 25 - 5866/4.1=7, ~5803=4...(7) QD1 LEU 12 - HB3 GLU 77 poor 7 46 - 15 - 5811/4.1=3, 5808/4.0=2...(4) QD1 LEU 79 - HB3 GLU 25 lone 6 63 - 10 - 607/4.6=2 Peak 4507 from cnoeabs.peaks (0.86, 2.07, 29.43 ppm; 5.44 A): 5 out of 18 assignments used, quality = 0.96: QB ALA 75 + HB3 GLU 77 OK 55 99 - 56 - 5741/4.1=10, 361/4.0=10...(17) QD2 LEU 73 + HB3 GLU 77 OK 54 78 - 69 - ~6103=16, 6105/3.0=11...(15) QD1 LEU 76 + HB3 GLU 77 OK 50 85 - 59 - 4080/4.0=11, 5781/4.1=9...(19) QB ALA 75 + HB3 GLU 25 OK 38 60 - 64 - ~1644=12, 3212/4.1=10...(14) HD2 LYS 26 + HB3 GLU 77 OK 32 96 - 34 - 3.0/4528=4, 3.0/4528=4...(13) HD2 LYS 26 - HB3 GLU 25 OK 27 56 - 49 - 1718/4.6=28, 3.0/4528=6...(11) QD2 LEU 30 - HB3 GLU 77 OK 23 99 - 23 - 5810/4.1=5, 361/4.0=3...(7) QD2 LEU 87 - HB3 GLU 77 OK 18 87 - 21 - 4.8/3269=4, 5801/3.0=3...(8) QD2 LEU 73 - HB3 GLU 25 OK 18 42 - 44 - ~6103=9, 6105/3.0=7...(15) QD1 LEU 85 - HB3 GLU 77 poor 9 63 - 15 - 361/4.0=2, 5810/4.1=2...(6) QD2 LEU 85 - HB3 GLU 77 poor 9 71 - 12 - 5801/3.0=2, ~5800=1...(5) QD2 LEU 30 - HB3 GLU 25 poor 8 60 - 14 - 609/4.6=4, ~6077=2 QD1 LEU 76 - HB3 GLU 25 poor 7 46 - 15 - 6048/3.0=4, ~5803=1...(4) QG2 VAL 47 - HB3 GLU 77 lone 5 81 - 6 - QD2 LEU 87 - HB3 GLU 25 lone 4 48 - 9 - 609/4.6=3 QD2 LEU 85 - HB3 GLU 25 lone 3 37 - 7 - 609/4.6=3 QG2 VAL 47 - HB3 GLU 25 lone 2 43 - 5 - 609/4.6=2 QD1 LEU 85 - HB3 GLU 25 lone 2 32 - 5 - 610/4.6=1 Peak 4512 from cnoeabs.peaks (8.17, 3.97, 57.78 ppm; 5.15 A): 2 out of 3 assignments used, quality = 0.73: H ARG 27 + HA GLU 25 OK 69 97 - 71 - 96/3.6=45, 4487/3.0=31...(5) H LEU 79 + HA GLU 25 OK 13 71 - 18 - 4487/3.0=7, 4.6/5820=2...(6) H LEU 87 - HA GLU 25 lone 5 76 - 6 - 4487/3.0=3 Peak 4514 from cnoeabs.peaks (7.03, 1.31, 33.48 ppm; 5.06 A): 3 out of 4 assignments used, quality = 0.88: QE PHE 80 + HB2 LYS 26 OK 76 100 - 76 - 2.2/4515=27, 4723=20...(16) QD PHE 46 + HB2 LYS 26 OK 35 90 - 39 - 4516/1.8=10, 4517/2.9=6...(11) HE ARG 45 + HB2 LYS 26 OK 20 87 - 23 - 4516/1.8=5, 6010=4...(9) HD2 HIS 10 - HB2 LYS 26 lone 2 65 - 3 - Peak 4515 from cnoeabs.peaks (6.92, 1.31, 33.48 ppm; 5.27 A): 2 out of 2 assignments used, quality = 0.75: HZ PHE 80 + HB2 LYS 26 OK 67 100 - 67 - 2.2/4514=23, ~4516=15...(11) HZ PHE 57 + HB2 LYS 26 OK 23 99 - 23 - ~5992=4, ~4666=4, 4738=4...(8) Peak 4516 from cnoeabs.peaks (7.03, 1.52, 33.48 ppm; 5.60 A): 3 out of 4 assignments used, quality = 0.92: QE PHE 80 + HB3 LYS 26 OK 81 100 - 82 - 4514/1.8=26, ~4515=24...(18) QD PHE 46 + HB3 LYS 26 OK 44 90 - 49 - 4514/1.8=12, 4517/2.9=8...(13) HE ARG 45 + HB3 LYS 26 OK 23 87 - 27 - 4514/1.8=7, 4.0/2337=4...(8) HD2 HIS 10 - HB3 LYS 26 lone 3 65 - 4 - Peak 4517 from cnoeabs.peaks (7.02, 0.75, 23.98 ppm; 6.20 A): 4 out of 8 assignments used, quality = 0.94: QE PHE 80 + HG2 LYS 26 OK 86 99 - 86 - ~4515=24, 4514/2.9=24...(18) QD PHE 46 + HG2 LYS 26 OK 46 99 - 47 - 4516/2.9=11, 4514/2.9=11...(8) HE ARG 45 + HG2 LYS 26 OK 17 63 - 27 - 4514/2.9=6, 4516/2.9=6...(9) QD PHE 46 + QD1 LEU 73 OK 10 40 - 26 - ~5707=8, ~5702=7, ~5701=5 QE PHE 80 - QD1 LEU 73 poor 9 40 - 22 - 5893/3.9=3, 4594/1916=2...(6) HD2 HIS 10 - HG2 LYS 26 lone 5 89 - 5 - HD2 HIS 10 - QD1 LEU 73 lone 1 32 - 3 - HE ARG 45 - QD1 LEU 73 lone 1 20 - 5 - Peak 4520 from cnoeabs.peaks (2.01, 4.10, 56.05 ppm; 5.41 A): 3 out of 12 assignments used, quality = 0.95: HB2 GLU 25 + HA LYS 26 OK 73 92 - 79 - 3862/3.0=40, ~3863=26...(7) HB2 LEU 23 + HA LYS 26 OK 63 99 - 64 - ~6156=18, ~4526=13...(16) HE3 LYS 68 + HA LYS 26 OK 46 81 - 57 - ~94=7, ~3096=7, 92/3.0=7...(17) HB2 LEU 34 - HA LYS 26 OK 30 95 - 32 - 3.1/1673=4, 2081/4.1=3...(14) HB3 PRO 19 - HA LYS 26 OK 17 73 - 23 - 92/3.0=4, ~91=3, ~92=3...(10) HB2 PRO 19 - HA LYS 26 OK 14 63 - 23 - 92/3.0=3, ~91=3, ~92=3...(10) HB3 GLU 49 - HA LYS 26 OK 13 97 - 13 - ~4960=2, 4965/3.0=2...(5) HG2 PRO 84 - HA LYS 26 lone 9 96 - 10 - 2.3/5953=3, 2.3/5952=3, 92/3.0=1 HG2 GLU 49 - HA LYS 26 lone 9 99 - 9 - 4971/3.0=1 HB2 LYS 78 - HA LYS 26 lone 4 93 - 5 - 92/3.0=2 HB2 GLN 55 - HA LYS 26 lone 4 60 - 7 - 5170/4.1=1 HG3 GLN 55 - HA LYS 26 lone 3 57 - 6 - 5182/4.1=2 Peak 4521 from cnoeabs.peaks (3.93, 1.31, 33.48 ppm; 4.92 A): 3 out of 3 assignments used, quality = 0.93: HA LEU 23 + HB2 LYS 26 OK 69 100 - 69 - 6156/4.0=24, 6159=14...(18) HA LEU 76 + HB2 LYS 26 OK 52 93 - 55 - 4523/2.9=10, 4525/3.6=9...(13) HA LEU 73 + HB2 LYS 26 OK 50 93 - 54 - 6156/4.0=10, 6159=9...(20) Peak 4522 from cnoeabs.peaks (3.94, 1.52, 33.48 ppm; 4.94 A): 4 out of 6 assignments used, quality = 0.94: HA LEU 23 + HB3 LYS 26 OK 67 97 - 69 - 6156/4.0=23, 6159/1.8=13...(19) HA LEU 76 + HB3 LYS 26 OK 58 100 - 58 - 4523/2.9=10, 4525/3.6=10...(13) HA ALA 72 + HB3 LYS 26 OK 38 85 - 44 - 5768/3.6=6, 4555/4.3=5...(15) HA GLU 25 + HB3 LYS 26 OK 35 57 - 62 - 3.6/1688=38, 4512/4.3=11...(9) HA ALA 71 - HB3 LYS 26 OK 31 73 - 43 - 3.0/3868=7, 4555/4.3=7...(13) HA3 GLY 16 - HB3 LYS 26 lone 5 57 - 8 - Peak 4523 from cnoeabs.peaks (3.94, 1.21, 23.98 ppm; 4.38 A): 5 out of 12 assignments used, quality = 0.93: HA LEU 76 + HG3 LYS 26 OK 59 100 - 60 - 4.0/6114=9, 4525/3.0=9...(16) HA LEU 23 + HG3 LYS 26 OK 59 100 - 59 - 6156/4.9=15, 4521/2.9=10...(18) HA LEU 73 + HG3 LYS 26 OK 36 73 - 49 - 4521/2.9=7, 6156/4.9=7...(22) HA ALA 72 + HG3 LYS 26 OK 26 71 - 37 - 5768/3.0=5, 4522/2.9=4...(17) HA LEU 76 + HG2 LYS 14 OK 14 99 - 14 - 4.0/6114=4, 4.0/6115=2...(4) HA LEU 23 - HG2 LYS 14 lone 8 99 - 8 - 6156/1708=2 HA LEU 73 - HG2 LYS 14 lone 6 72 - 8 - HA LEU 76 - HG3 LYS 44 lone 4 60 - 7 - HA LEU 23 - HG3 LYS 44 lone 3 60 - 5 - HA ALA 72 - HG2 LYS 14 lone 3 70 - 4 - HA LEU 73 - HG3 LYS 44 lone 2 38 - 4 - HA ALA 72 - HG3 LYS 44 lone 1 36 - 3 - Peak 4524 from cnoeabs.peaks (3.94, 0.85, 27.68 ppm; 4.99 A): 3 out of 4 assignments used, quality = 0.95: HA LEU 76 + HD2 LYS 26 OK 70 100 - 71 - 4525/1.8=14, 2.9/6174=13...(18) HA LEU 23 + HD2 LYS 26 OK 69 100 - 69 - 6156/5.8=16, 4525/1.8=14...(18) HA LEU 73 + HD2 LYS 26 OK 44 73 - 60 - 4521/3.6=8, 4525/1.8=8...(23) HA ALA 72 - HD2 LYS 26 OK 34 71 - 48 - ~5673=7, 4525/1.8=7...(15) Peak 4525 from cnoeabs.peaks (3.94, 0.90, 27.68 ppm; 4.82 A): 3 out of 4 assignments used, quality = 0.96: HA LEU 76 + HD3 LYS 26 OK 73 100 - 73 - 4524/1.8=12, 4523/3.0=10...(21) HA LEU 23 + HD3 LYS 26 OK 72 100 - 72 - 6156/5.8=15, 4524/1.8=12...(19) HA LEU 73 + HD3 LYS 26 OK 44 73 - 59 - 4521/3.6=8, 4524/1.8=8...(23) HA ALA 72 - HD3 LYS 26 OK 35 71 - 49 - 2.1/5673=8, 2.9/5668=7...(14) Peak 4528 from cnoeabs.peaks (2.08, 2.52, 42.02 ppm; 4.33 A): 6 out of 12 assignments used, quality = 0.66: HB3 GLU 25 + HE3 LYS 26 OK 19 96 - 20 - 3863/6.9=9, 4506/3.9=2...(7) HB3 GLU 25 + HE2 LYS 26 OK 19 95 - 20 - 3863/6.9=9, 4506/3.9=2...(7) HG2 GLU 22 + HE3 LYS 26 OK 18 90 - 20 - 4464/3.0=6, 6162/3.9=3...(7) HG2 GLU 22 + HE2 LYS 26 OK 18 90 - 20 - 4464/3.0=6, 6162/3.9=3...(7) HB3 GLU 77 + HE3 LYS 26 OK 13 90 - 14 - 3863/6.9=2, 4507/3.0=2...(7) HB3 GLU 77 + HE2 LYS 26 OK 13 90 - 14 - 3863/6.9=2, 4507/3.0=2...(7) HG3 GLU 33 - HE3 LYS 26 lone 6 76 - 8 - 5.1/144=2, 4643/2010=1 HG3 GLU 33 - HE2 LYS 26 lone 6 75 - 8 - 5.1/144=2, 4643/2010=1 QE MET 21 - HE3 LYS 26 lone 2 65 - 3 - QE MET 21 - HE2 LYS 26 lone 2 65 - 3 - HB2 MET 21 - HE3 LYS 26 lone 2 71 - 2 - 6162/3.9=1 HB2 MET 21 - HE2 LYS 26 lone 2 70 - 2 - 6162/3.9=1 Peak 4529 from cnoeabs.peaks (1.98, 2.52, 42.02 ppm; 5.39 A): 4 out of 26 assignments used, quality = 0.95: HE3 LYS 68 + HE3 LYS 26 OK 66 97 - 69 - 5562=9, 5562/1.8=8...(23) HE3 LYS 68 + HE2 LYS 26 OK 66 96 - 68 - 5562=9, 5562/1.8=8...(23) HB2 GLU 25 + HE3 LYS 26 OK 32 89 - 36 - 3862/6.9=18, 1.8/4528=8...(7) HB2 GLU 25 + HE2 LYS 26 OK 32 88 - 36 - 3862/6.9=18, 1.8/4528=8...(7) HB2 PRO 19 - HE3 LYS 26 OK 25 100 - 25 - ~4365=4, ~4375=3...(9) HB2 PRO 19 - HE2 LYS 26 OK 25 100 - 25 - ~4365=4, ~4375=3...(9) HB3 PRO 19 - HE3 LYS 26 OK 25 99 - 25 - ~4365=4, 4371/3.0=3...(9) HB3 PRO 19 - HE2 LYS 26 OK 25 98 - 25 - ~4365=4, 4371/3.0=3...(9) HB2 LEU 34 - HE3 LYS 26 OK 25 85 - 29 - ~4676=5, 2081/3.9=3...(13) HB2 LEU 34 - HE2 LYS 26 OK 25 84 - 29 - ~4676=5, 2081/3.9=3...(13) HB2 GLU 77 - HE3 LYS 26 OK 20 89 - 23 - 1.8/4528=5, ~4528=4...(7) HB2 GLU 77 - HE2 LYS 26 OK 20 88 - 23 - 1.8/4528=5, ~4528=4...(7) HG2 PRO 19 - HE3 LYS 26 OK 14 90 - 16 - ~4375=3, ~4351=3...(5) HG2 PRO 19 - HE2 LYS 26 OK 14 90 - 15 - ~4375=3, ~4351=3...(5) HB3 PRO 81 - HE3 LYS 26 lone 9 99 - 9 - 3.0/4531=3, ~4531=2 HB3 PRO 81 - HE2 LYS 26 lone 9 99 - 9 - 3.0/4531=3, ~4531=2 HB2 LYS 78 - HE3 LYS 26 lone 7 87 - 8 - 4.0/4533=2, 3297/4702=2 HB2 LYS 78 - HE2 LYS 26 lone 7 86 - 8 - 4.0/4533=2, 3297/4702=2 HB2 GLU 51 - HE3 LYS 26 lone 5 99 - 5 - HB2 GLU 51 - HE2 LYS 26 lone 5 98 - 5 - HG2 PRO 84 - HE3 LYS 26 lone 5 83 - 5 - ~4360=1 HG2 PRO 84 - HE2 LYS 26 lone 4 82 - 5 - ~4360=1 HB2 GLN 58 - HE3 LYS 26 lone 3 92 - 4 - HB2 GLN 58 - HE2 LYS 26 lone 3 91 - 4 - HG3 PRO 84 - HE3 LYS 26 lone 3 65 - 4 - ~4360=1 HG3 PRO 84 - HE2 LYS 26 lone 3 65 - 4 - ~4360=1 Peak 4531 from cnoeabs.peaks (3.18, 2.52, 42.02 ppm; 4.74 A): 2 out of 12 assignments used, quality = 0.94: HB2 PHE 80 + HE3 LYS 26 OK 75 100 - 75 - 5884=18, 1.8/5889=16...(13) HB2 PHE 80 + HE2 LYS 26 OK 75 100 - 75 - 5884=18, 1.8/5889=16...(13) HD2 ARG 27 - HE3 LYS 26 OK 28 99 - 28 - 4550/3.0=5, 4551/3.9=4...(11) HD2 ARG 27 - HE2 LYS 26 OK 28 99 - 28 - 4550/3.0=5, 4551/3.9=4...(11) HB2 PHE 57 - HE3 LYS 26 OK 19 96 - 20 - 4.4/4533=3, 5255/3.0=3...(7) HB2 PHE 57 - HE2 LYS 26 OK 19 95 - 20 - 4.4/4533=3, 5255/3.0=3...(7) HD3 PRO 81 - HE3 LYS 26 OK 18 81 - 23 - 4.8/5889=9, 4.8/5884=9 HD3 PRO 81 - HE2 LYS 26 OK 18 80 - 23 - 4.8/5889=9, 4.8/5884=9 HD2 ARG 28 - HE3 LYS 26 lone 2 90 - 3 - HD2 ARG 28 - HE2 LYS 26 lone 2 90 - 3 - HB3 HIS 42 - HE3 LYS 26 lone 1 71 - 2 - HB3 HIS 42 - HE2 LYS 26 lone 1 70 - 2 - Peak 4532 from cnoeabs.peaks (3.93, 2.52, 42.02 ppm; 4.76 A): 4 out of 6 assignments used, quality = 0.96: HA LEU 76 + HE2 LYS 26 OK 56 93 - 61 - 4.0/5771=10, 4525/3.0=10...(18) HA LEU 76 + HE3 LYS 26 OK 56 93 - 60 - 4525/3.0=10, 4.0/5771=10...(18) HA LEU 23 + HE2 LYS 26 OK 54 100 - 54 - 6156/6.9=11, 4525/3.0=10...(16) HA LEU 23 + HE3 LYS 26 OK 54 99 - 54 - 6156/6.9=11, 4525/3.0=10...(16) HA LEU 73 - HE2 LYS 26 OK 35 93 - 38 - 4521/4.9=6, 4525/3.0=6...(12) HA LEU 73 - HE3 LYS 26 OK 35 93 - 38 - 4521/4.9=6, 4525/3.0=6...(12) Peak 4533 from cnoeabs.peaks (7.20, 2.52, 42.02 ppm; 4.42 A): 2 out of 6 assignments used, quality = 0.94: QD PHE 80 + HE2 LYS 26 OK 76 100 - 76 - 4702=19, 4702/1.8=15...(17) QD PHE 80 + HE3 LYS 26 OK 76 100 - 76 - 4702=19, 4702/1.8=15...(17) QE PHE 57 - HE2 LYS 26 OK 28 97 - 29 - 4665/3.0=6, 4664/3.0=6...(11) QE PHE 57 - HE3 LYS 26 OK 28 96 - 29 - 4665/3.0=6, 4664/3.0=6...(11) H LYS 78 - HE2 LYS 26 OK 16 100 - 16 - 4.1/4528=3, 5811/3.9=2...(5) H LYS 78 - HE3 LYS 26 OK 16 100 - 16 - 4.1/4528=3, 5811/3.9=2...(5) Peak 4534 from cnoeabs.peaks (9.14, 1.42, 26.70 ppm; 5.22 A): 2 out of 3 assignments used, quality = 0.99: HE ARG 27 + HG2 ARG 27 OK 98 98 - 100 - 3.9=100 H ASP 53 + HG2 ARG 27 OK 51 97 - 53 - 4.3/4547=15, 4.3/4547=15...(5) H VAL 50 - HG2 ARG 27 OK 18 87 - 21 - 4995/3.0=6, 4536/1.8=6...(4) Peak 4535 from cnoeabs.peaks (9.14, 3.18, 42.18 ppm; 3.98 A): 1 out of 3 assignments used, quality = 0.98: HE ARG 27 + HD2 ARG 27 OK 98 98 - 100 - 2.9=100 H ASP 53 - HD2 ARG 27 OK 35 97 - 36 - 4537/1.8=8, 4.3/4549=8...(6) H VAL 50 - HD2 ARG 27 OK 18 87 - 20 - 4.0/5016=4, 4995=4...(6) Peak 4536 from cnoeabs.peaks (9.14, 1.52, 26.70 ppm; 5.13 A): 2 out of 3 assignments used, quality = 1.00: HE ARG 27 + HG3 ARG 27 OK 100 100 - 100 - 3.9=100 H ASP 53 + HG3 ARG 27 OK 50 90 - 55 - 4534/1.8=12, 4.3/6076=11...(9) H VAL 50 - HG3 ARG 27 OK 23 73 - 32 - 4535/3.0=5, 4534/1.8=4...(10) Peak 4537 from cnoeabs.peaks (9.14, 3.59, 42.18 ppm; 4.27 A): 1 out of 3 assignments used, quality = 1.00: HE ARG 27 + HD3 ARG 27 OK 100 100 - 100 - 2.9=100 H ASP 53 - HD3 ARG 27 OK 35 90 - 38 - 4535/1.8=10, 4.3/4552=8...(6) H VAL 50 - HD3 ARG 27 OK 11 73 - 15 - 4535/1.8=5, 4536/3.0=3...(4) Peak 4538 from cnoeabs.peaks (6.91, 3.59, 42.18 ppm; 5.76 A): 2 out of 3 assignments used, quality = 0.78: HZ PHE 80 + HD3 ARG 27 OK 61 81 - 76 - ~4541=22, 4542/3.0=18...(17) HZ PHE 57 + HD3 ARG 27 OK 42 71 - 59 - 5996/2.9=15, 4542/3.0=14...(15) HD22 ASN 90 - HD3 ARG 27 lone 3 87 - 3 - Peak 4539 from cnoeabs.peaks (6.81, 3.59, 42.18 ppm; 5.84 A): 3 out of 3 assignments used, quality = 0.84: QD TYR 32 + HD3 ARG 27 OK 73 99 - 74 - ~4601=28, 5997/2.9=26...(17) QE TYR 70 + HD3 ARG 27 OK 27 98 - 28 - 5997/2.9=5, 6.5/3881=5...(8) HE21 GLN 55 + HD3 ARG 27 OK 17 93 - 19 - 5997/2.9=5, 5107/5123=2...(4) Peak 4541 from cnoeabs.peaks (7.04, 1.42, 26.70 ppm; 5.51 A): 2 out of 3 assignments used, quality = 0.79: QE PHE 80 + HG2 ARG 27 OK 77 98 - 78 - 2.2/4542=25, ~4538=14...(20) QD PHE 46 + HG2 ARG 27 OK 11 78 - 14 - 3.8/4643=2, 4805/4.1=1...(6) HE ARG 45 - HG2 ARG 27 lone 5 96 - 5 - Peak 4542 from cnoeabs.peaks (6.92, 1.42, 26.70 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.86: HZ PHE 80 + HG2 ARG 27 OK 69 100 - 70 - 2.2/4541=25, 5996/3.9=13...(17) HZ PHE 57 + HG2 ARG 27 OK 53 99 - 54 - 5996/3.9=11, 4538/3.0=8...(17) Peak 4543 from cnoeabs.peaks (0.76, 1.77, 32.72 ppm; 3.83 A): 4 out of 8 assignments used, quality = 0.94: QD1 LEU 30 + HB2 ARG 27 OK 78 100 - 79 - 4544/1.8=13, 4584=11...(35) QD1 LEU 73 + HB2 ARG 27 OK 43 97 - 44 - 4544/1.8=7, 4558/4.2=5...(17) HG2 LYS 26 + HB2 ARG 27 OK 37 89 - 42 - 3869/4.0=8, 4544/1.8=4...(17) QD1 LEU 23 + HB2 ARG 27 OK 29 76 - 39 - 4544/1.8=6, 4479=5...(13) QD2 LEU 79 - HB2 ARG 27 OK 17 83 - 21 - 4544/1.8=4, 6176/4.8=3...(7) QG1 VAL 20 - HB2 ARG 27 OK 13 85 - 16 - 4418/4.8=5, 100/4.0=2...(6) QD1 LEU 79 - HB2 ARG 27 OK 11 63 - 17 - ~4544=3, ~4548=2...(7) QD1 LEU 12 - HB2 ARG 27 lone 9 85 - 10 - 100/4.0=2, 1188/3.0=1 Peak 4544 from cnoeabs.peaks (0.78, 1.70, 32.72 ppm; 3.89 A): 5 out of 6 assignments used, quality = 0.95: QD1 LEU 30 + HB3 ARG 27 OK 76 99 - 77 - 4543/1.8=12, 2.1/4545=10...(34) QD1 LEU 73 + HB3 ARG 27 OK 43 100 - 43 - 4558/4.2=6, 4543/1.8=6...(15) QD1 LEU 23 + HB3 ARG 27 OK 36 96 - 37 - 4479/1.8=6, 2.1/6074=5...(11) HG2 LYS 26 + HB3 ARG 27 OK 23 63 - 38 - 3869/4.0=6, 4543/1.8=5...(16) QD2 LEU 79 + HB3 ARG 27 OK 22 98 - 23 - 6176/4.8=3, 4543/1.8=3...(8) HG3 LYS 68 - HB3 ARG 27 lone 4 65 - 6 - 4558/4.2=1 Peak 4545 from cnoeabs.peaks (0.88, 1.70, 32.72 ppm; 4.03 A): 3 out of 7 assignments used, quality = 0.96: QD2 LEU 30 + HB3 ARG 27 OK 77 93 - 83 - 4595/4.8=14, 2.1/4544=14...(36) HB3 LEU 30 + HB3 ARG 27 OK 71 92 - 77 - 3.1/4544=11, 4546/1.8=10...(37) HD3 LYS 26 + HB3 ARG 27 OK 33 92 - 36 - 103/4.0=6, 4546/1.8=5...(14) QB ALA 75 - HB3 ARG 27 OK 25 93 - 27 - 4546/1.8=4, 5745/4.2=4...(11) QD1 LEU 87 - HB3 ARG 27 OK 16 97 - 16 - 4546/1.8=2, 103/4.0=2 QD1 LEU 76 - HB3 ARG 27 OK 14 100 - 14 - 4546/1.8=2, 4557/4.2=2...(5) QD1 LEU 85 - HB3 ARG 27 OK 13 99 - 12 - 4546/1.8=2, 103/4.0=2 Peak 4546 from cnoeabs.peaks (0.88, 1.77, 32.72 ppm; 4.05 A): 3 out of 7 assignments used, quality = 0.95: QD2 LEU 30 + HB2 ARG 27 OK 76 93 - 82 - 4595/4.8=15, 2.1/4543=13...(34) HB3 LEU 30 + HB2 ARG 27 OK 69 92 - 76 - 4545/1.8=11, 3.1/4543=10...(35) HD3 LYS 26 + HB2 ARG 27 OK 36 92 - 39 - 103/4.0=6, 4545/1.8=5...(15) QB ALA 75 - HB2 ARG 27 OK 31 93 - 33 - 5761=5, 5745/4.2=4...(11) QD1 LEU 87 - HB2 ARG 27 OK 16 97 - 17 - 4545/1.8=2, 103/4.0=2 QD1 LEU 76 - HB2 ARG 27 OK 16 100 - 16 - 4545/1.8=2, 4557/4.2=2...(5) QD1 LEU 85 - HB2 ARG 27 OK 13 99 - 13 - 4545/1.8=2, 103/4.0=2 Peak 4547 from cnoeabs.peaks (0.94, 1.42, 26.70 ppm; 4.06 A): 2 out of 3 assignments used, quality = 0.97: QG1 VAL 52 + HG2 ARG 27 OK 83 100 - 83 - 5130=16, 2.1/5130=12...(27) QG2 VAL 52 + HG2 ARG 27 OK 83 100 - 83 - 5130=15, 2.1/5130=13...(26) QD2 LEU 23 - HG2 ARG 27 OK 23 57 - 40 - 2.1/4548=8, 6074/2.9=5...(11) Peak 4548 from cnoeabs.peaks (0.80, 1.42, 26.70 ppm; 4.45 A): 4 out of 7 assignments used, quality = 0.85: QD1 LEU 30 + HG2 ARG 27 OK 50 65 - 77 - 4544/2.9=9, ~4545=7...(30) QD1 LEU 23 + HG2 ARG 27 OK 43 98 - 44 - 5874/4541=7, 4479/2.9=6...(15) QD1 LEU 73 + HG2 ARG 27 OK 33 81 - 41 - 4558/5.0=7, 4544/2.9=5...(18) QD2 LEU 79 + HG2 ARG 27 OK 23 96 - 24 - 6176/3.9=5, 5872/4542=4...(11) QG2 ILE 35 - HG2 ARG 27 poor 8 65 - 13 - 4739/3.0=3, 4.0/157=3...(5) HG3 LYS 68 - HG2 ARG 27 lone 7 99 - 7 - 4558/5.0=2 QG1 VAL 47 - HG2 ARG 27 lone 6 71 - 8 - ~4832=2, ~4834=1 Peak 4549 from cnoeabs.peaks (0.93, 3.18, 42.18 ppm; 4.55 A): 2 out of 3 assignments used, quality = 0.98: QG2 VAL 52 + HD2 ARG 27 OK 89 99 - 90 - 4552/1.8=15, 4547/3.0=15...(30) QG1 VAL 52 + HD2 ARG 27 OK 86 96 - 90 - 6004/2.9=15, 4547/3.0=15...(30) QD2 LEU 23 - HD2 ARG 27 OK 38 85 - 44 - 4552/1.8=6, 6076/3.0=6...(10) Peak 4550 from cnoeabs.peaks (0.87, 3.18, 42.18 ppm; 4.76 A): 3 out of 9 assignments used, quality = 0.96: QD2 LEU 30 + HD2 ARG 27 OK 89 100 - 89 - 4595/2.9=31, 2.1/4551=11...(36) QB ALA 75 + HD2 ARG 27 OK 41 100 - 42 - 2.9/5752=6, 5758=5...(16) HD2 LYS 26 + HD2 ARG 27 OK 40 89 - 45 - 102/5.9=5, 4553/1.8=5...(15) QD2 LEU 73 - HD2 ARG 27 OK 31 65 - 48 - 2.1/4551=7, ~4544=5...(23) QD1 LEU 76 - HD2 ARG 27 OK 19 93 - 20 - 2.1/5769=4, 4.0/6112=2...(7) QD2 LEU 87 - HD2 ARG 27 OK 12 76 - 16 - 4553/1.8=2, 102/5.9=1...(5) QD1 LEU 87 - HD2 ARG 27 OK 11 68 - 16 - 4545/3.5=2, 4546/3.5=2...(4) QD1 LEU 85 - HD2 ARG 27 poor 10 76 - 13 - 4546/3.5=1, 4545/3.5=1 QG2 VAL 47 - HD2 ARG 27 poor 8 68 - 12 - ~4832=4, 4834/1.8=2...(4) Peak 4551 from cnoeabs.peaks (0.77, 3.18, 42.18 ppm; 4.96 A): 3 out of 7 assignments used, quality = 0.97: QD1 LEU 30 + HD2 ARG 27 OK 89 100 - 89 - ~4595=23, 4544/3.5=14...(32) QD1 LEU 73 + HD2 ARG 27 OK 51 99 - 51 - 4544/3.5=8, 4543/3.5=7...(24) HG2 LYS 26 + HD2 ARG 27 OK 42 78 - 53 - 3869/5.9=9, 4543/3.5=6...(23) QD1 LEU 23 - HD2 ARG 27 OK 41 87 - 47 - 2.1/4549=8, 4544/3.5=7...(12) QD2 LEU 79 - HD2 ARG 27 OK 30 92 - 32 - 6176/2.9=7, 4544/3.5=4...(12) QG1 VAL 20 - HD2 ARG 27 OK 17 73 - 23 - 4418/2.9=10, ~4554=3...(5) QD1 LEU 12 - HD2 ARG 27 lone 6 73 - 9 - 4543/3.5=1, 100/5.9=1...(4) Peak 4552 from cnoeabs.peaks (0.93, 3.59, 42.18 ppm; 4.87 A): 2 out of 3 assignments used, quality = 0.99: QG2 VAL 52 + HD3 ARG 27 OK 93 99 - 93 - 4549/1.8=18, 6004/2.9=16...(30) QG1 VAL 52 + HD3 ARG 27 OK 89 96 - 93 - 4549/1.8=18, 6004/2.9=17...(31) QD2 LEU 23 - HD3 ARG 27 OK 39 85 - 46 - 4549/1.8=8, 6076/3.0=6...(10) Peak 4553 from cnoeabs.peaks (0.87, 3.59, 42.18 ppm; 5.35 A): 2 out of 9 assignments used, quality = 0.96: QD2 LEU 30 + HD3 ARG 27 OK 93 100 - 93 - 4595/2.9=38, 4550/1.8=16...(35) HD2 LYS 26 + HD3 ARG 27 OK 44 89 - 50 - 3.0/4554=7, 4550/1.8=7...(16) QB ALA 75 - HD3 ARG 27 OK 37 100 - 38 - 4550/1.8=7, ~5752=5...(12) QD2 LEU 73 - HD3 ARG 27 OK 35 65 - 53 - ~4551=6, ~4544=6...(27) QD1 LEU 76 - HD3 ARG 27 OK 18 93 - 19 - ~5769=4, 4550/1.8=3...(7) QD2 LEU 87 - HD3 ARG 27 OK 15 76 - 20 - 4550/1.8=2, 102/5.9=2...(6) QD1 LEU 87 - HD3 ARG 27 OK 13 68 - 19 - 4545/3.5=2, 4546/3.5=2...(6) QG2 VAL 47 - HD3 ARG 27 OK 13 68 - 18 - 2.1/4832=5, 3.9/4825=3...(6) QD1 LEU 85 - HD3 ARG 27 OK 12 76 - 16 - 4550/1.8=2, 4546/3.5=2...(4) Peak 4554 from cnoeabs.peaks (0.74, 3.59, 42.18 ppm; 5.79 A): 5 out of 7 assignments used, quality = 0.95: QD1 LEU 30 + HD3 ARG 27 OK 60 65 - 91 - ~4595=31, 2.1/4553=15...(32) HG2 LYS 26 + HD3 ARG 27 OK 59 100 - 59 - 3869/5.9=15, 3.0/4553=6...(22) QD1 LEU 79 + HD3 ARG 27 OK 37 99 - 38 - ~6176=8, 5867/4538=5...(12) QG1 VAL 20 + HD3 ARG 27 OK 35 100 - 35 - 4418/2.9=17, 4407/4539=5...(7) QG2 VAL 20 + HD3 ARG 27 OK 30 95 - 32 - ~4418=13, 4409/4539=5...(10) QD2 LEU 76 - HD3 ARG 27 OK 14 65 - 21 - 5769/1.8=3, 2.1/4553=3...(7) QD1 LEU 12 - HD3 ARG 27 OK 13 100 - 13 - 100/5.9=2, 1188/5.3=2...(4) Peak 4559 from cnoeabs.peaks (3.83, 4.41, 55.68 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.81: HA2 GLY 29 + HA ARG 28 OK 81 100 - 81 - 3.0/3882=27, 4578=18...(18) HD2 PRO 84 - HA ARG 28 poor 9 85 - 10 - 4.8/5930=3, 630/3.6=2 Peak 4560 from cnoeabs.peaks (3.85, 1.79, 30.87 ppm; 4.95 A): 4 out of 8 assignments used, quality = 0.99: HA2 GLY 29 + HB2 ARG 28 OK 85 92 - 92 - 4559/3.0=33, ~3882=16...(20) HA2 GLY 29 + HB3 ARG 28 OK 65 71 - 92 - 4559/3.0=33, ~3882=16...(20) HA3 GLY 29 + HB2 ARG 28 OK 65 71 - 92 - ~4559=25, ~3882=16...(22) HA3 GLY 29 + HB3 ARG 28 OK 47 52 - 91 - ~4559=25, ~3882=16...(22) HA ALA 69 - HB2 ARG 28 OK 20 76 - 26 - 4202/4.6=7, 3.6/5590=5...(7) HA ALA 69 - HB3 ARG 28 OK 14 56 - 25 - 4202/4.6=7, 3.6/5590=5...(6) HA GLU 77 - HB2 ARG 28 poor 8 71 - 11 - 6049/3.0=4, 631/4.6=2 HA GLU 77 - HB3 ARG 28 poor 5 52 - 10 - 6049/3.0=4, 631/4.6=2 Peak 4561 from cnoeabs.peaks (3.85, 1.77, 30.87 ppm; 4.95 A): 4 out of 8 assignments used, quality = 0.99: HA2 GLY 29 + HB3 ARG 28 OK 85 92 - 92 - 4559/3.0=33, ~3882=16...(20) HA2 GLY 29 + HB2 ARG 28 OK 65 71 - 92 - 4559/3.0=33, ~3882=16...(20) HA3 GLY 29 + HB3 ARG 28 OK 65 71 - 92 - ~4559=25, ~3882=16...(23) HA3 GLY 29 + HB2 ARG 28 OK 47 52 - 91 - ~4559=25, ~3882=16...(22) HA ALA 69 - HB3 ARG 28 OK 20 76 - 26 - 4202/4.6=7, 3.6/1830=5...(7) HA ALA 69 - HB2 ARG 28 OK 14 56 - 25 - 4202/4.6=7, 3.6/5590=5...(6) HA GLU 77 - HB3 ARG 28 poor 8 71 - 11 - 6049/3.0=4, 631/4.6=2 HA GLU 77 - HB2 ARG 28 lone 5 52 - 10 - 6049/3.0=4, 631/4.6=2 Peak 4562 from cnoeabs.peaks (3.84, 1.66, 27.04 ppm; 4.70 A): 2 out of 6 assignments used, quality = 0.98: HA2 GLY 29 + HG3 ARG 28 OK 88 98 - 90 - 4559/3.8=28, 4570=14...(24) HA2 GLY 29 + HG2 ARG 28 OK 88 98 - 89 - 4559/3.8=28, 4570=14...(23) HA ALA 69 - HG2 ARG 28 OK 11 60 - 18 - 3.6/5589=5, 4202/4.9=5...(6) HA ALA 69 - HG3 ARG 28 OK 11 60 - 18 - 3.6/5589=5, 4202/4.9=5...(6) HD2 PRO 84 - HG3 ARG 28 lone 5 73 - 7 - 4559/3.8=3, 630/4.9=2 HD2 PRO 84 - HG2 ARG 28 lone 5 73 - 7 - 4559/3.8=3, 630/4.9=2 Peak 4564 from cnoeabs.peaks (2.97, 1.66, 27.04 ppm; 4.42 A): 10 out of 16 assignments used, quality = 0.95: HB2 TYR 70 + HG2 ARG 28 OK 48 89 - 54 - 3126/3.8=8, 3.0/4207=8...(18) HB2 TYR 70 + HG3 ARG 28 OK 48 88 - 54 - 3126/3.8=8, 3.0/4207=8...(18) HE3 LYS 91 + HG2 ARG 28 OK 21 100 - 21 - 5.0/3723=1, 5.0/3713=1 HE2 LYS 91 + HG2 ARG 28 OK 21 100 - 21 - 5.0/3723=1, 5.0/3713=1 HE3 LYS 91 + HG3 ARG 28 OK 21 100 - 21 - 5.0/3723=1, 5.0/3713=1 HE2 LYS 91 + HG3 ARG 28 OK 21 100 - 21 - 5.0/3723=1, 5.0/3713=1 HE3 LYS 31 + HG3 ARG 28 OK 15 100 - 15 - 3.6/1954=1, 3.6/1964=1 HE2 LYS 31 + HG3 ARG 28 OK 15 100 - 15 - 3.6/1954=1, 3.6/1964=1 HE3 LYS 31 + HG2 ARG 28 OK 15 100 - 15 - 3.6/1954=1, 3.6/1964=1 HE2 LYS 31 + HG2 ARG 28 OK 15 100 - 15 - 3.6/1954=1, 3.6/1964=1 HB3 HIS 15 - HG2 ARG 28 lone 2 100 - 2 - HB3 HIS 15 - HG3 ARG 28 lone 2 100 - 2 - HD2 ARG 45 - HG3 ARG 28 lone 1 94 - 1 - HD3 ARG 45 - HG3 ARG 28 lone 1 94 - 1 - HD2 ARG 45 - HG2 ARG 28 lone 1 95 - 1 - HD3 ARG 45 - HG2 ARG 28 lone 1 95 - 1 - Peak 4567 from cnoeabs.peaks (6.96, 1.66, 27.04 ppm; 5.58 A): 2 out of 4 assignments used, quality = 0.51: HD22 ASN 24 + HG3 ARG 28 OK 30 90 - 34 - 4496=11, 4496/1.8=10...(4) HD22 ASN 24 + HG2 ARG 28 OK 30 90 - 33 - 4496=11, 4496/1.8=11...(4) HZ PHE 57 - HG3 ARG 28 poor 8 60 - 13 - ~2719=2, 5.8/1852=2...(6) HZ PHE 57 - HG2 ARG 28 poor 8 60 - 13 - ~2719=2, 5.8/1852=2...(6) Peak 4568 from cnoeabs.peaks (8.12, 4.41, 55.68 ppm; 4.15 A): 2 out of 4 assignments used, quality = 0.85: H ALA 71 + HA ARG 28 OK 66 99 - 68 - 332=15, 1067/3.6=13...(19) H LEU 30 + HA ARG 28 OK 57 98 - 58 - 3.6/4559=24, 122/3.6=17...(8) H MET 11 - HA ARG 28 lone 8 87 - 9 - 967/3.6=2, 4588=2 H ALA 89 - HA ARG 28 lone 8 96 - 8 - 967/3.6=1, 1017/3.0=1 Peak 4569 from cnoeabs.peaks (1.79, 3.83, 46.26 ppm; 4.57 A): 2 out of 17 assignments used, quality = 0.97: HB2 ARG 28 + HA2 GLY 29 OK 89 100 - 89 - 3.0/4559=31, ~3882=13...(21) HB3 ARG 28 + HA2 GLY 29 OK 71 81 - 88 - 3.0/4559=31, ~3882=13...(21) QB ALA 74 - HA2 GLY 29 OK 22 96 - 23 - ~343=7, 5734/3.0=5...(5) HB2 ARG 27 - HA2 GLY 29 OK 17 96 - 18 - 116/3.0=4, ~121=3...(6) HG2 GLU 51 - HA2 GLY 29 OK 11 83 - 14 - ~5089=7, 3.0/4570=1...(4) HG3 GLU 51 - HA2 GLY 29 OK 11 81 - 14 - ~5089=7, 3.0/4570=1...(4) QE MET 11 - HA2 GLY 29 lone 8 85 - 10 - 1152/3.6=2, 3.4/5919=1...(4) HB2 LYS 31 - HA2 GLY 29 lone 7 100 - 7 - 116/3.0=1 HG LEU 76 - HA2 GLY 29 lone 6 83 - 8 - ~4576=2, ~4574=2, 2.1/4571=1 HB2 LYS 91 - HA2 GLY 29 lone 6 100 - 6 - 116/3.0=1 HB2 MET 48 - HA2 GLY 29 lone 3 99 - 3 - HD3 LYS 78 - HA2 GLY 29 lone 3 100 - 3 - HG3 GLU 37 - HA2 GLY 29 lone 2 100 - 2 - HB2 LYS 65 - HA2 GLY 29 lone 2 100 - 2 - HB2 LYS 44 - HA2 GLY 29 lone 1 65 - 2 - HB2 GLU 37 - HA2 GLY 29 lone 1 63 - 2 - HB3 GLU 33 - HA2 GLY 29 lone 1 65 - 1 - Peak 4570 from cnoeabs.peaks (1.66, 3.83, 46.26 ppm; 4.75 A): 3 out of 12 assignments used, quality = 1.00: HG3 ARG 28 + HA2 GLY 29 OK 90 100 - 90 - 3.8/4559=29, 4562=21...(22) HG2 ARG 28 + HA2 GLY 29 OK 89 100 - 90 - 3.8/4559=29, 4562=21...(21) HB3 LEU 73 + HA2 GLY 29 OK 56 99 - 57 - 3175/3.0=16, ~3168=11...(12) HB2 LEU 30 - HA2 GLY 29 OK 22 63 - 35 - 634/3.6=9, 3.1/4571=7...(7) HB3 GLU 51 - HA2 GLY 29 OK 14 83 - 16 - 5089/3.0=9, 3.0/4569=1...(4) HD2 LYS 31 - HA2 GLY 29 lone 7 99 - 7 - 118/3.0=1, 634/3.6=1 HD3 LYS 31 - HA2 GLY 29 lone 7 97 - 7 - 634/3.6=1, 118/3.0=1 HB3 LYS 91 - HA2 GLY 29 lone 5 73 - 7 - HD2 LYS 91 - HA2 GLY 29 lone 3 68 - 4 - HD3 LYS 91 - HA2 GLY 29 lone 3 65 - 4 - HB3 LYS 14 - HA2 GLY 29 lone 2 89 - 2 - HB2 LYS 14 - HA2 GLY 29 lone 2 89 - 2 - Peak 4571 from cnoeabs.peaks (0.87, 3.83, 46.26 ppm; 5.95 A): 5 out of 9 assignments used, quality = 0.78: QD2 LEU 30 + HA2 GLY 29 OK 48 100 - 48 - 1911/3.6=23, 4576/3.0=10...(8) HB3 LEU 30 + HA2 GLY 29 OK 29 71 - 41 - 635/3.6=13, 4576/3.0=10...(7) QB ALA 75 + HA2 GLY 29 OK 27 100 - 27 - ~1084=11, 4576/3.0=9...(4) QD1 LEU 87 + HA2 GLY 29 OK 10 83 - 13 - 635/3.6=4, 4576/3.0=3...(4) QD1 LEU 76 + HA2 GLY 29 OK 10 99 - 10 - 4576/3.0=4, 2.1/4569=1 QD1 LEU 85 - HA2 GLY 29 lone 8 89 - 9 - 4576/3.0=3, 635/3.6=2, ~4575=1 HD2 LYS 26 - HA2 GLY 29 poor 8 76 - 10 - 638/3.6=3, ~4576=3 HD3 LYS 26 - HA2 GLY 29 poor 7 71 - 10 - 4576/3.0=4, 635/3.6=3 QD2 LEU 87 - HA2 GLY 29 poor 7 60 - 12 - 638/3.6=3, ~4576=3...(4) Peak 4572 from cnoeabs.peaks (1.78, 3.87, 46.26 ppm; 4.54 A): 2 out of 14 assignments used, quality = 0.98: HB2 ARG 28 + HA3 GLY 29 OK 86 97 - 89 - ~4559=21, 3.0/4577=16...(24) HB3 ARG 28 + HA3 GLY 29 OK 86 97 - 89 - ~4559=21, 3.0/4577=16...(24) HB2 LEU 73 - HA3 GLY 29 OK 45 76 - 59 - 3168/3.0=12, 3.9/1076=12...(12) QB ALA 74 - HA3 GLY 29 OK 27 100 - 27 - ~343=7, 5734/3.0=6...(6) HB2 ARG 27 - HA3 GLY 29 OK 20 100 - 20 - 116/3.0=4, ~121=3...(7) QE MET 11 - HA3 GLY 29 OK 10 99 - 10 - 1152/3.6=3, 117/3.0=1...(4) HB2 LYS 31 - HA3 GLY 29 lone 7 97 - 8 - 116/3.0=1 HB3 GLN 55 - HA3 GLY 29 lone 5 65 - 8 - 3.0/4577=2, ~115=1...(4) HB2 LYS 91 - HA3 GLY 29 lone 5 90 - 5 - 116/3.0=1 HD3 LYS 78 - HA3 GLY 29 lone 4 99 - 4 - HB2 MET 48 - HA3 GLY 29 lone 3 89 - 4 - HB3 MET 48 - HA3 GLY 29 lone 3 71 - 4 - HG3 GLU 37 - HA3 GLY 29 lone 2 97 - 3 - HB2 LYS 65 - HA3 GLY 29 lone 2 97 - 2 - Peak 4573 from cnoeabs.peaks (1.67, 3.87, 46.26 ppm; 4.65 A): 3 out of 13 assignments used, quality = 0.99: HG3 ARG 28 + HA3 GLY 29 OK 82 96 - 86 - 4562/1.8=15, 3.8/4577=14...(24) HG2 ARG 28 + HA3 GLY 29 OK 80 93 - 85 - 4562/1.8=15, 3.8/4577=14...(23) HB3 LEU 73 + HA3 GLY 29 OK 59 100 - 59 - 3175/3.0=16, 3.9/1076=12...(13) HB2 LEU 30 - HA3 GLY 29 OK 33 89 - 38 - 634/3.6=12, 3.1/4574=7...(7) HB3 ARG 27 - HA3 GLY 29 OK 18 73 - 25 - ~121=4, 634/3.6=3...(8) HB3 GLU 51 - HA3 GLY 29 OK 17 98 - 18 - 5089/3.0=10, 634/3.6=2...(5) HD3 LYS 31 - HA3 GLY 29 lone 7 100 - 7 - 634/3.6=2, 118/3.0=1 HD2 LYS 31 - HA3 GLY 29 lone 7 100 - 7 - 634/3.6=1, 118/3.0=1 HB3 LYS 31 - HA3 GLY 29 poor 7 68 - 10 - 634/3.6=4 HB3 LYS 91 - HA3 GLY 29 lone 5 95 - 6 - HG2 LYS 78 - HA3 GLY 29 lone 4 65 - 6 - 634/3.6=1, 4.9/364=1 HB3 LYS 14 - HA3 GLY 29 lone 1 63 - 2 - HB2 LYS 14 - HA3 GLY 29 lone 1 63 - 2 - Peak 4574 from cnoeabs.peaks (0.88, 3.87, 46.26 ppm; 5.53 A): 5 out of 8 assignments used, quality = 0.80: QD2 LEU 30 + HA3 GLY 29 OK 44 98 - 45 - 1911/3.6=21, 4576/3.0=9...(8) HB3 LEU 30 + HA3 GLY 29 OK 34 83 - 41 - 635/3.6=14, 4576/3.0=9...(8) QB ALA 75 + HA3 GLY 29 OK 29 98 - 29 - ~1084=10, 4576/3.0=8...(6) QD1 LEU 76 + HA3 GLY 29 OK 12 100 - 12 - 4576/3.0=4, 638/3.6=1...(4) QD1 LEU 87 + HA3 GLY 29 OK 12 92 - 13 - 635/3.6=4, 4576/3.0=3...(4) HD3 LYS 26 - HA3 GLY 29 poor 10 83 - 12 - 4576/3.0=3, 635/3.6=3 QD1 LEU 85 - HA3 GLY 29 lone 9 96 - 9 - 4576/3.0=2, 635/3.6=2 HD2 LYS 26 - HA3 GLY 29 lone 6 63 - 10 - 638/3.6=3, ~4576=3 Peak 4577 from cnoeabs.peaks (4.41, 3.87, 46.26 ppm; 4.50 A): 3 out of 4 assignments used, quality = 0.95: HA ARG 28 + HA3 GLY 29 OK 85 100 - 85 - 4559/1.8=38, 3882/3.0=29...(19) HA TYR 70 + HA3 GLY 29 OK 44 96 - 46 - 4204/3.0=15, 3.6/1063=11...(7) HA PRO 81 + HA3 GLY 29 OK 37 100 - 37 - 5918=18, 5915/3.6=9...(4) HA GLN 55 - HA3 GLY 29 lone 10 99 - 10 - 115/3.0=2, 4588/3.6=2 Peak 4578 from cnoeabs.peaks (4.41, 3.83, 46.26 ppm; 4.72 A): 3 out of 4 assignments used, quality = 0.96: HA ARG 28 + HA2 GLY 29 OK 89 100 - 89 - 4559=45, 3882/3.0=30...(17) HA TYR 70 + HA2 GLY 29 OK 43 96 - 45 - 4204/3.0=17, 3.6/3889=9...(10) HA PRO 81 + HA2 GLY 29 OK 39 100 - 39 - 5918/1.8=16, 5915/3.6=10...(4) HA GLN 55 - HA2 GLY 29 lone 9 99 - 9 - 115/3.0=3, 4588/3.6=2 Peak 4580 from cnoeabs.peaks (0.25, 4.22, 54.95 ppm; 4.22 A): 3 out of 3 assignments used, quality = 0.94: QG2 VAL 50 + HA LEU 30 OK 86 92 - 94 - 4582/3.0=33, 4581/3.0=30...(15) QG2 VAL 50 + HA ASP 53 OK 44 74 - 59 - 5116/4.8=13, 5003=12...(18) QG2 VAL 50 + HA LEU 87 OK 26 74 - 36 - 5003=7, 4586/1912=5...(15) Peak 4581 from cnoeabs.peaks (0.25, 1.69, 41.58 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.93: QG2 VAL 50 + HB2 LEU 30 OK 93 97 - 95 - 4582/1.8=42, 4586/3.1=37...(20) Peak 4582 from cnoeabs.peaks (0.25, 0.90, 41.58 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.92: QG2 VAL 50 + HB3 LEU 30 OK 92 97 - 94 - 4581/1.8=34, 4586/3.1=34...(23) Peak 4583 from cnoeabs.peaks (0.26, 1.54, 26.06 ppm; 5.10 A): 1 out of 1 assignment used, quality = 0.97: QG2 VAL 50 + HG LEU 30 OK 97 100 - 97 - 4585/2.1=49, 4586/2.1=47...(19) Peak 4584 from cnoeabs.peaks (1.78, 0.77, 26.77 ppm; 3.84 A): 3 out of 15 assignments used, quality = 0.96: HB2 ARG 27 + QD1 LEU 30 OK 80 99 - 81 - 4543=16, 1.8/4544=14...(35) HB2 LYS 31 + QD1 LEU 30 OK 61 100 - 61 - 1928/5.0=12, 4599/4.0=9...(21) HD3 LYS 78 + QD1 LEU 30 OK 49 100 - 49 - 5816=8, 2.9/5815=7...(16) HB2 LEU 73 - QD1 LEU 30 OK 35 60 - 58 - 1.8/3180=8, 3.0/6032=7...(22) QB ALA 74 - QD1 LEU 30 OK 26 99 - 26 - 2.9/348=5, 5718/2.1=3...(8) HG LEU 76 - QD1 LEU 30 OK 17 71 - 24 - 3.6/6032=3, 3.0/6172=3...(9) QE MET 11 - QD1 LEU 30 OK 15 93 - 16 - 4243=8, 6.2/1904=1, 1152/4.8=1 HB2 ARG 28 - QD1 LEU 30 OK 12 100 - 13 - 4.0/4558=5 HB3 ARG 28 - QD1 LEU 30 OK 11 90 - 13 - 4.0/4558=5 HG2 GLU 51 - QD1 LEU 30 OK 11 71 - 16 - 3.0/1906=2, ~5075=1...(6) HG3 GLU 51 - QD1 LEU 30 OK 11 68 - 16 - 3.0/1906=2, ~5075=1...(5) HB2 MET 48 - QD1 LEU 30 lone 9 97 - 9 - 3935/5.0=1 HB2 LYS 65 - QD1 LEU 30 lone 8 100 - 8 - 3.0/5456=1 HG3 GLU 37 - QD1 LEU 30 lone 7 100 - 7 - 3935/5.0=3 HB2 LYS 91 - QD1 LEU 30 lone 7 97 - 7 - Peak 4585 from cnoeabs.peaks (0.25, 0.77, 26.77 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.83: QG2 VAL 50 + QD1 LEU 30 OK 83 97 - 85 - 4586/2.1=34, 4582/3.1=21...(17) Peak 4586 from cnoeabs.peaks (0.25, 0.87, 22.29 ppm; 3.30 A): 1 out of 1 assignment used, quality = 0.73: QG2 VAL 50 + QD2 LEU 30 OK 73 92 - 80 - 4585/2.1=31, 4582/3.1=20...(14) Peak 4587 from cnoeabs.peaks (2.14, 0.87, 22.29 ppm; 4.98 A): 3 out of 4 assignments used, quality = 0.61: HB VAL 52 + QD2 LEU 30 OK 45 87 - 51 - ~6200=15, 4.4/5133=13...(9) HG2 GLN 55 + QD2 LEU 30 OK 21 78 - 27 - 6090=4, ~5182=4...(12) HG3 GLU 22 + QD2 LEU 30 OK 11 71 - 15 - 1.8/4464=3, 3.0/4451=2...(6) HB3 MET 21 - QD2 LEU 30 lone 6 99 - 6 - Peak 4589 from cnoeabs.peaks (6.67, 1.69, 41.58 ppm; 5.48 A): 1 out of 1 assignment used, quality = 0.85: QE TYR 32 + HB2 LEU 30 OK 85 100 - 85 - 4590/1.8=42, 4593/3.1=37...(15) Peak 4590 from cnoeabs.peaks (6.67, 0.90, 41.58 ppm; 5.41 A): 1 out of 1 assignment used, quality = 0.89: QE TYR 32 + HB3 LEU 30 OK 89 100 - 89 - 4589/1.8=40, 4593/3.1=36...(19) Peak 4591 from cnoeabs.peaks (8.36, 0.77, 26.77 ppm; 5.92 A): 4 out of 7 assignments used, quality = 0.97: H ARG 28 + QD1 LEU 30 OK 77 99 - 77 - 4.2/4544=16, 4.2/4543=14...(23) H ALA 72 + QD1 LEU 30 OK 65 97 - 66 - 5688/4593=18, 337/4.8=10...(20) H TYR 70 + QD1 LEU 30 OK 42 76 - 56 - 4.6/1904=9, 3.0/5607=9...(17) H LEU 23 + QD1 LEU 30 OK 40 68 - 59 - 3.9/6078=15, 3.0/6032=14...(13) H GLY 39 - QD1 LEU 30 OK 27 87 - 31 - 4.6/3895=12, 3.6/6031=7...(4) H ASN 90 - QD1 LEU 30 OK 19 85 - 22 - 4.6/1904=7, 3.6/6033=5...(4) H GLY 40 - QD1 LEU 30 OK 11 87 - 12 - 3.0/1905=1 Peak 4592 from cnoeabs.peaks (9.14, 0.77, 26.77 ppm; 5.78 A): 3 out of 3 assignments used, quality = 0.98: HE ARG 27 + QD1 LEU 30 OK 81 98 - 82 - 4595/2.1=19, 4.8/4544=14...(20) H ASP 53 + QD1 LEU 30 OK 77 97 - 80 - 5133/2.1=21, 5134=13...(25) H VAL 50 + QD1 LEU 30 OK 54 87 - 63 - 4.0/4585=46, 4638/4593=8...(6) Peak 4593 from cnoeabs.peaks (6.66, 0.77, 26.77 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.79: QE TYR 32 + QD1 LEU 30 OK 79 100 - 79 - 4590/3.1=31, 4589/3.1=30...(17) Peak 4594 from cnoeabs.peaks (7.02, 0.87, 22.29 ppm; 5.18 A): 0 out of 3 assignments used, low quality = 0.41: QE PHE 80 - QD2 LEU 30 OK 41 95 - 43 - 5897/2.1=6, 2.2/5902=5...(14) QD PHE 46 - QD2 LEU 30 lone 8 100 - 8 - HD2 HIS 10 - QD2 LEU 30 lone 4 97 - 4 - Peak 4595 from cnoeabs.peaks (9.12, 0.87, 22.29 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.52: HE ARG 27 + QD2 LEU 30 OK 52 87 - 60 - 2.9/4550=12, 2.9/4553=10...(14) Peak 4597 from cnoeabs.peaks (6.84, 1.79, 34.20 ppm; 5.83 A): 1 out of 1 assignment used, quality = 0.79: QD TYR 32 + HB2 LYS 31 OK 79 85 - 93 - 4.4/3898=40, 4596/3.9=30...(25) Peak 4598 from cnoeabs.peaks (6.82, 4.60, 54.66 ppm; 4.10 A): 3 out of 6 assignments used, quality = 0.82: QD TYR 32 + HA LYS 31 OK 77 100 - 77 - 4596/3.6=33, 4603=25...(18) QD TYR 32 + HA ASN 24 OK 10 57 - 18 - 4603=4, 2.5/4634=3...(7) QE TYR 70 + HA LYS 31 OK 10 92 - 11 - 654/3.6=4, 4685/3.0=1 HE21 GLN 55 - HA LYS 31 lone 4 83 - 4 - 654/3.6=2 HE21 GLN 55 - HA ASN 24 lone 1 41 - 4 - QE TYR 70 - HA ASN 24 lone 1 47 - 2 - Peak 4599 from cnoeabs.peaks (4.23, 1.79, 34.20 ppm; 4.65 A): 4 out of 6 assignments used, quality = 0.86: HA LEU 30 + HB2 LYS 31 OK 73 100 - 73 - 126/3.9=26, 4600/1.8=22...(23) HA ASP 53 + HB2 LYS 31 OK 22 97 - 22 - 126/3.9=6, 4600/1.8=6...(6) HA LYS 78 + HB2 LYS 31 OK 19 60 - 32 - 3.7/3324=3, 3.0/3314=3...(12) HA LEU 87 + HB2 LYS 31 OK 17 90 - 19 - 126/3.9=6, 4600/1.8=4...(5) HA ALA 89 - HB2 LYS 31 lone 4 71 - 5 - 126/3.9=1 HA3 GLY 40 - HB2 LYS 31 lone 3 83 - 4 - 4600/1.8=1 Peak 4600 from cnoeabs.peaks (4.22, 1.70, 34.20 ppm; 4.45 A): 3 out of 15 assignments used, quality = 0.79: HA LEU 30 + HB3 LYS 31 OK 70 100 - 70 - 126/3.9=24, 4599/1.8=19...(24) HA ASP 53 + HB3 LYS 31 OK 18 92 - 20 - 126/3.9=6, 4599/1.8=6...(5) HA LEU 87 + HB3 LYS 31 OK 14 81 - 17 - 126/3.9=6, 4599/1.8=5 HA LEU 30 - HB3 LYS 17 lone 5 73 - 7 - 3.6/1938=2 HA LEU 30 - HB2 LYS 17 lone 5 71 - 7 - 3.6/1938=2 HA3 GLY 40 - HB3 LYS 31 lone 3 92 - 3 - HA ALA 89 - HB3 LYS 31 lone 3 57 - 5 - 126/3.9=1 HA LEU 87 - HB3 LYS 17 lone 2 52 - 4 - HA ASP 53 - HB3 LYS 17 lone 2 62 - 3 - 3981/4.6=1 HA LEU 87 - HB2 LYS 17 lone 2 51 - 4 - HA ASP 53 - HB2 LYS 17 lone 2 60 - 3 - 3981/4.6=1 HA3 GLY 40 - HB3 LYS 17 lone 1 62 - 1 - HA3 GLY 40 - HB2 LYS 17 lone 1 60 - 1 - HA ALA 89 - HB3 LYS 17 lone 0 35 - 1 - HA ALA 89 - HB2 LYS 17 lone 0 34 - 1 - Peak 4603 from cnoeabs.peaks (0.88, 1.79, 34.20 ppm; 4.76 A): 3 out of 7 assignments used, quality = 0.94: HB3 LEU 30 + HB2 LYS 31 OK 71 92 - 78 - 4.6/1928=20, 3.0/4599=18...(25) QD2 LEU 30 + HB2 LYS 31 OK 69 93 - 74 - 3896/3.9=25, 4.0/4599=15...(23) QB ALA 75 + HB2 LYS 31 OK 30 93 - 33 - 6109/4604=8, ~6034=4...(8) HD3 LYS 26 - HB2 LYS 31 OK 22 92 - 24 - 128/3.9=3, 3.6/1933=3...(8) QD1 LEU 76 - HB2 LYS 31 OK 14 100 - 13 - 4605/1.8=1 QD1 LEU 87 - HB2 LYS 31 OK 12 97 - 12 - 4.1/4599=3, 128/3.9=3 QD1 LEU 85 - HB2 LYS 31 lone 6 99 - 6 - 128/3.9=1 Peak 4604 from cnoeabs.peaks (0.25, 1.79, 34.20 ppm; 5.86 A): 1 out of 1 assignment used, quality = 0.84: QG2 VAL 50 + HB2 LYS 31 OK 84 97 - 87 - 4602/3.9=35, 4609/4.1=27...(27) Peak 4605 from cnoeabs.peaks (0.88, 1.70, 34.20 ppm; 4.77 A): 3 out of 24 assignments used, quality = 0.94: QD2 LEU 30 + HB3 LYS 31 OK 76 98 - 78 - 3896/3.9=26, 4.0/4600=16...(28) HB3 LEU 30 + HB3 LYS 31 OK 67 83 - 81 - 3.0/4600=19, 4.6/1938=18...(29) QB ALA 75 + HB3 LYS 31 OK 23 98 - 24 - 4603/1.8=5, ~6034=4...(7) HD3 LYS 26 - HB3 LYS 31 OK 17 83 - 21 - 4603/1.8=4, 128/3.9=3...(6) HD2 LYS 26 - HB3 LYS 31 OK 12 63 - 19 - ~4603=3, 131/3.9=3...(6) QD1 LEU 76 - HB3 LYS 31 OK 12 100 - 12 - 4603/1.8=2 QD1 LEU 87 - HB3 LYS 31 OK 11 92 - 12 - 4.1/4600=3, 128/3.9=2 QB ALA 75 - HB3 LYS 17 OK 10 70 - 15 - 5747/4.6=3, 4676/2.9=3...(4) QB ALA 75 - HB2 LYS 17 OK 10 67 - 15 - 5747/4.6=3, 4676/2.9=3...(4) QD1 LEU 76 - HB3 LYS 17 poor 10 73 - 13 - 4676/2.9=3, ~6171=2...(4) QD1 LEU 76 - HB2 LYS 17 poor 10 71 - 13 - 4676/2.9=3, ~6171=2...(4) QD2 LEU 30 - HB3 LYS 17 poor 8 70 - 11 - 5.0/1938=1, 4676/2.9=1...(4) QD2 LEU 30 - HB2 LYS 17 poor 7 67 - 10 - 4676/2.9=1, ~6078=1...(4) HB3 LEU 30 - HB3 LYS 17 poor 6 54 - 11 - 4.6/1938=2, 3.0/4600=2, ~6078=1 HB3 LEU 30 - HB2 LYS 17 poor 6 52 - 11 - 4.6/1938=1, 3.0/4600=1...(4) QD1 LEU 85 - HB3 LYS 31 lone 5 96 - 5 - 128/3.9=1, 4603/1.8=1 QD1 LEU 87 - HB3 LYS 17 lone 3 62 - 5 - QD1 LEU 85 - HB3 LYS 17 lone 3 66 - 5 - QD1 LEU 87 - HB2 LYS 17 lone 3 60 - 5 - QD1 LEU 85 - HB2 LYS 17 lone 3 64 - 5 - HD3 LYS 26 - HB3 LYS 17 lone 3 54 - 5 - HD3 LYS 26 - HB2 LYS 17 lone 2 52 - 5 - HD2 LYS 26 - HB3 LYS 17 lone 2 39 - 4 - HD2 LYS 26 - HB2 LYS 17 lone 2 38 - 4 - Peak 4610 from cnoeabs.peaks (1.32, 4.95, 56.76 ppm; 4.14 A): 2 out of 8 assignments used, quality = 0.97: HB VAL 50 + HA TYR 32 OK 94 100 - 94 - 4997=41, 2.1/5002=37...(13) HG3 LYS 31 + HA TYR 32 OK 52 71 - 74 - 3901/3.0=19, ~3900=18...(22) HB2 LYS 26 - HA TYR 32 OK 35 90 - 39 - 4609/3.7=6, 4621/5.7=3...(21) HG3 ARG 45 - HA TYR 32 lone 6 99 - 6 - QB ALA 60 - HA TYR 32 lone 5 92 - 5 - 4646/3.6=1 HG3 LYS 91 - HA TYR 32 lone 5 68 - 7 - HG2 LYS 91 - HA TYR 32 lone 5 68 - 7 - QB ALA 86 - HA TYR 32 lone 2 90 - 3 - Peak 4611 from cnoeabs.peaks (1.81, 4.95, 56.76 ppm; 4.24 A): 3 out of 13 assignments used, quality = 0.96: HB3 GLU 33 + HA TYR 32 OK 75 100 - 76 - 4.1/143=27, 3.0/4643=25...(13) HB2 LYS 31 + HA TYR 32 OK 63 76 - 83 - 3898/3.0=25, ~3897=16...(23) HB2 MET 48 + HA TYR 32 OK 52 90 - 58 - 4.0/4893=10, 3.0/2010=10...(13) HG2 GLU 51 - HA TYR 32 OK 29 100 - 29 - 4.9/5054=19, 658/3.6=3 HG3 GLU 51 - HA TYR 32 OK 29 100 - 29 - 4.9/5054=19, 658/3.6=3 HG LEU 76 - HA TYR 32 OK 17 100 - 17 - ~5771=3, 4606/3.7=2...(6) HB2 LYS 44 - HA TYR 32 lone 10 100 - 10 - 2050/3.6=2, 4641=2 HG3 GLU 37 - HA TYR 32 poor 8 78 - 10 - 4907/3.7=2, 3958/3.6=2...(4) HB2 LYS 91 - HA TYR 32 lone 7 89 - 8 - HB2 LYS 65 - HA TYR 32 lone 7 78 - 9 - ~4618=1 HB2 GLU 37 - HA TYR 32 lone 7 99 - 7 - HD3 LYS 78 - HA TYR 32 lone 5 68 - 8 - 134/3.0=1 HB2 ARG 28 - HA TYR 32 lone 4 76 - 5 - Peak 4612 from cnoeabs.peaks (1.94, 2.51, 39.34 ppm; 4.10 A): 3 out of 13 assignments used, quality = 0.97: QE MET 48 + HB2 TYR 32 OK 84 99 - 85 - 4925/2.5=24, 4884/1.8=22...(19) HB2 GLU 33 + HB2 TYR 32 OK 64 100 - 64 - 2044/4.7=14, 4640/3.0=14...(14) HB VAL 20 + HB2 TYR 32 OK 43 100 - 43 - ~4409=10, ~4407=10...(9) HB2 LEU 76 - HB2 TYR 32 OK 25 99 - 26 - 3.1/5771=5, 4605/2.5=4...(10) HG3 GLU 49 - HB2 TYR 32 OK 22 97 - 22 - 2475/4.7=7, 5.0/3907=7...(5) HB VAL 47 - HB2 TYR 32 OK 16 99 - 16 - 4.4/718=3, 2.1/4616=2...(6) HD2 LYS 78 - HB2 TYR 32 lone 8 89 - 9 - 4617/1.8=1 HG3 PRO 84 - HB2 TYR 32 lone 7 97 - 7 - HB3 GLU 22 - HB2 TYR 32 lone 6 100 - 6 - HB2 GLU 77 - HB2 TYR 32 lone 5 81 - 7 - ~4739=2, 657/4.7=1, 4605/2.5=1 HG2 PRO 19 - HB2 TYR 32 lone 5 78 - 6 - 4605/2.5=1 HB2 GLN 58 - HB2 TYR 32 lone 3 76 - 4 - HG3 PRO 81 - HB2 TYR 32 lone 3 87 - 3 - Peak 4613 from cnoeabs.peaks (1.79, 2.51, 39.34 ppm; 5.30 A): 3 out of 17 assignments used, quality = 0.99: HB2 MET 48 + HB2 TYR 32 OK 87 100 - 87 - ~4908=18, ~4912=16...(19) HB2 LYS 31 + HB2 TYR 32 OK 87 99 - 88 - 4.1/2014=38, 4597/2.5=32...(17) HB3 GLU 33 + HB2 TYR 32 OK 63 81 - 78 - ~4643=22, 4.1/3907=22...(12) HG LEU 76 - HB2 TYR 32 OK 33 93 - 36 - 2.1/5771=8, ~4612=6...(9) HB2 ARG 27 - HB2 TYR 32 OK 32 87 - 37 - ~4539=12, ~4603=6...(8) HG3 GLU 37 - HB2 TYR 32 OK 22 99 - 22 - 4907/2.5=5, 3958/4.7=3...(6) HB2 LYS 65 - HB2 TYR 32 OK 18 99 - 18 - ~4618=2, 4606/2.5=1...(4) HG2 GLU 51 - HB2 TYR 32 OK 17 93 - 19 - 4611/3.0=3, ~4611=3...(8) HG3 GLU 51 - HB2 TYR 32 OK 17 92 - 19 - 4611/3.0=3, ~4611=3...(8) HD3 LYS 78 - HB2 TYR 32 OK 15 97 - 15 - 4606/2.5=2, 134/4.0=2...(5) HB2 LYS 91 - HB2 TYR 32 OK 12 100 - 11 - 3.0/4614=1, 3.0/4614=1...(4) HB2 GLU 37 - HB2 TYR 32 OK 11 78 - 15 - ~4907=3, 3.0/2420=1...(4) HB2 LYS 44 - HB2 TYR 32 poor 10 81 - 12 - 2050/4.7=2, 4641/3.0=2 HB2 ARG 28 - HB2 TYR 32 lone 8 99 - 8 - 4606/2.5=1 QB ALA 74 - HB2 TYR 32 lone 7 87 - 8 - 4606/2.5=1, 5717/5653=1 QE MET 11 - HB2 TYR 32 lone 6 71 - 9 - 4247/2.5=3 HB3 ARG 28 - HB2 TYR 32 lone 5 65 - 7 - ~4606=1 Peak 4614 from cnoeabs.peaks (1.35, 2.51, 39.34 ppm; 5.10 A): 2 out of 11 assignments used, quality = 0.93: HB VAL 50 + HB2 TYR 32 OK 76 78 - 97 - ~4613=31, 4997/3.0=29...(15) HG2 LYS 68 + HB2 TYR 32 OK 73 81 - 91 - 5526/4.4=20, 1.8/4616=19...(25) QB ALA 67 - HB2 TYR 32 OK 15 73 - 20 - 3.7/5537=4, 5505/2441=3...(7) HB2 LYS 64 - HB2 TYR 32 OK 12 92 - 13 - ~4612=2, ~5966=2...(4) HG2 LYS 91 - HB2 TYR 32 lone 8 100 - 8 - HG3 LYS 91 - HB2 TYR 32 lone 8 100 - 8 - HG2 LYS 44 - HB2 TYR 32 lone 7 76 - 9 - ~4641=1 HB3 LEU 12 - HB2 TYR 32 lone 5 60 - 9 - 3.0/4634=2, ~4274=1, ~4603=1 HG3 ARG 45 - HB2 TYR 32 lone 3 60 - 5 - 4609/2.5=1 QB ALA 86 - HB2 TYR 32 lone 3 99 - 3 - QB ALA 89 - HB2 TYR 32 lone 2 98 - 2 - Peak 4615 from cnoeabs.peaks (1.22, 2.51, 39.34 ppm; 5.03 A): 3 out of 9 assignments used, quality = 1.00: HD2 LYS 68 + HB2 TYR 32 OK 94 100 - 94 - 3.0/4616=16, ~5567=13...(31) HD3 LYS 68 + HB2 TYR 32 OK 94 100 - 94 - 3.0/4616=16, ~5567=13...(31) HG3 LYS 26 + HB2 TYR 32 OK 49 89 - 56 - 4610/2.5=6, ~4609=6...(16) HG13 ILE 35 - HB2 TYR 32 OK 38 99 - 38 - 4716/4.7=10, 4726/3.0=6...(9) QD1 LEU 34 - HB2 TYR 32 OK 33 99 - 33 - 4700/4.7=8, 4.0/2015=4...(10) HG2 LYS 17 - HB2 TYR 32 OK 30 90 - 33 - 4610/2.5=4, 4619/1.8=3...(10) HB2 LEU 79 - HB2 TYR 32 OK 19 60 - 31 - ~5873=7, 3.1/4616=5...(9) HG2 LYS 14 - HB2 TYR 32 lone 5 81 - 7 - QG2 THR 83 - HB2 TYR 32 lone 5 97 - 5 - Peak 4616 from cnoeabs.peaks (0.79, 2.51, 39.34 ppm; 4.68 A): 4 out of 6 assignments used, quality = 0.94: HG3 LYS 68 + HB2 TYR 32 OK 83 97 - 86 - 5528/4.4=22, 4611/2.5=16...(24) QD1 LEU 30 + HB2 TYR 32 OK 28 78 - 36 - 4593/4.4=17, 4611/2.5=9...(5) QD2 LEU 79 + HB2 TYR 32 OK 28 99 - 28 - 5873/2.5=12, 4620/1.8=5...(6) QD1 LEU 23 + HB2 TYR 32 OK 25 100 - 25 - 4611/2.5=9, 4620/1.8=4...(7) QD1 LEU 73 - HB2 TYR 32 OK 17 90 - 18 - ~5708=4, 4611/2.5=4...(5) QG1 VAL 47 - HB2 TYR 32 OK 12 57 - 21 - 4.3/718=5, 4647/4.7=3...(5) Peak 4617 from cnoeabs.peaks (1.93, 2.86, 39.34 ppm; 3.91 A): 3 out of 10 assignments used, quality = 0.94: QE MET 48 + HB3 TYR 32 OK 81 100 - 81 - 4884=25, 4925/2.5=22...(16) HB2 GLU 33 + HB3 TYR 32 OK 52 90 - 57 - 2044/4.7=11, 4640/3.0=11...(13) HB VAL 20 + HB3 TYR 32 OK 37 97 - 38 - ~4409=9, ~4407=9...(9) HG3 GLU 49 - HB3 TYR 32 OK 18 100 - 18 - 2475/4.7=7, 5.0/3908=5...(5) HB2 LEU 76 - HB3 TYR 32 OK 16 85 - 19 - ~5771=3, 4612/1.8=3...(8) HB VAL 47 - HB3 TYR 32 OK 10 100 - 10 - 4612/1.8=2, 2.1/4620=1...(4) HD2 LYS 78 - HB3 TYR 32 lone 7 99 - 7 - HG3 PRO 84 - HB3 TYR 32 lone 4 78 - 5 - HB3 GLU 22 - HB3 TYR 32 lone 4 90 - 5 - HG3 PRO 81 - HB3 TYR 32 lone 2 99 - 2 - Peak 4618 from cnoeabs.peaks (1.73, 2.86, 39.34 ppm; 4.80 A): 7 out of 8 assignments used, quality = 0.91: HB3 MET 48 + HB3 TYR 32 OK 61 76 - 80 - 4.0/4884=18, 4908/2.5=15...(18) HB3 LYS 31 + HB3 TYR 32 OK 49 63 - 78 - 4.1/2020=34, ~4597=20...(13) HB2 LYS 17 + HB3 TYR 32 OK 18 99 - 18 - 2.9/4619=3, ~4610=2...(9) HB3 LYS 17 + HB3 TYR 32 OK 18 99 - 18 - 2.9/4619=3, ~4610=2...(9) HB2 LEU 73 + HB3 TYR 32 OK 13 71 - 18 - ~5708=3, 3.1/4620=2...(7) HB3 LYS 65 + HB3 TYR 32 OK 10 99 - 10 - 2591/2.5=1, ~4613=1 HB3 GLN 55 + HB3 TYR 32 OK 10 81 - 13 - 4.5/2025=3, ~2583=2...(5) HG2 LYS 78 - HB3 TYR 32 lone 5 65 - 7 - 2.9/4617=1 Peak 4619 from cnoeabs.peaks (1.23, 2.86, 39.34 ppm; 4.93 A): 3 out of 9 assignments used, quality = 1.00: HD3 LYS 68 + HB3 TYR 32 OK 94 100 - 94 - 3.0/4620=14, 3.0/5561=14...(31) HD2 LYS 68 + HB3 TYR 32 OK 94 100 - 94 - 3.0/4620=14, 3.0/5561=14...(31) HG3 LYS 26 + HB3 TYR 32 OK 46 78 - 58 - 4610/2.5=6, ~4609=6...(20) HG13 ILE 35 - HB3 TYR 32 OK 34 100 - 34 - 4716/4.7=10, 4726/3.0=6...(9) HG2 LYS 17 - HB3 TYR 32 OK 28 97 - 29 - 4610/2.5=4, 2.9/4618=3...(11) QD1 LEU 34 - HB3 TYR 32 OK 26 97 - 27 - 4700/4.7=7, 4615/1.8=3...(9) HB2 LEU 79 - HB3 TYR 32 OK 21 73 - 29 - ~5873=7, 3.1/4620=4...(9) QG2 THR 83 - HB3 TYR 32 lone 4 92 - 4 - HG2 LYS 14 - HB3 TYR 32 lone 3 68 - 4 - Peak 4620 from cnoeabs.peaks (0.80, 2.86, 39.34 ppm; 4.88 A): 3 out of 7 assignments used, quality = 0.94: HG3 LYS 68 + HB3 TYR 32 OK 89 99 - 89 - 5528/4.4=24, 4616/1.8=18...(23) QD2 LEU 79 + HB3 TYR 32 OK 27 96 - 28 - 5873/2.5=12, 4616/1.8=6...(7) QD1 LEU 23 + HB3 TYR 32 OK 24 98 - 25 - 4611/2.5=9, 4616/1.8=5...(7) QD1 LEU 30 - HB3 TYR 32 OK 24 65 - 36 - 4593/4.4=16, 4611/2.5=10...(5) QG2 ILE 35 - HB3 TYR 32 OK 17 65 - 26 - 4714/4.7=8, ~4731=4...(7) QD1 LEU 73 - HB3 TYR 32 OK 16 81 - 19 - ~5708=5, 4611/2.5=4...(5) QG1 VAL 47 - HB3 TYR 32 OK 12 71 - 18 - 4647/4.7=4, 4616/1.8=3...(6) Peak 4621 from cnoeabs.peaks (1.97, 6.67, 117.44 ppm; 4.98 A): 4 out of 15 assignments used, quality = 0.96: HE3 LYS 68 + QE TYR 32 OK 75 77 - 97 - 1.8/5570=40, 5568=31...(20) HB VAL 20 + QE TYR 32 OK 58 65 - 89 - 2.1/4408=48, 2.1/4410=43...(10) HB2 LEU 76 + QE TYR 32 OK 36 84 - 43 - 3.1/4626=6, 3.1/4625=5...(16) HB2 PRO 19 + QE TYR 32 OK 34 91 - 37 - 4.9/4405=22, 5681/5698=4...(6) HB3 PRO 19 - QE TYR 32 OK 30 84 - 35 - 4.9/4405=22, 5681/5698=4...(6) HB2 GLU 33 - QE TYR 32 OK 30 77 - 38 - 4640/5.7=10, ~4739=7...(9) HB2 GLU 51 - QE TYR 32 OK 28 100 - 28 - 5065/4625=13, 1.8/4619=3...(6) HG2 PRO 19 - QE TYR 32 OK 17 99 - 18 - 4380/5698=3, 5667/5688=2...(6) HB2 GLN 58 - QE TYR 32 OK 14 99 - 14 - 5664/5638=3, 5647/5630=2...(4) HB2 GLU 77 - QE TYR 32 OK 14 99 - 14 - ~4739=2, 4605/2.2=1, 4455/4410=1 HB3 PRO 81 - QE TYR 32 OK 11 99 - 11 - 3482/4405=3, 5681/5698=1...(4) HB3 GLU 22 - QE TYR 32 poor 10 77 - 13 - 6120/5698=2, 4455/4410=2 HG3 PRO 84 - QE TYR 32 lone 8 89 - 9 - 4605/2.2=1 HB2 GLU 25 - QE TYR 32 poor 7 62 - 12 - 3.0/4614=2, 1645/5690=1...(6) HB2 LYS 78 - QE TYR 32 lone 5 59 - 8 - 2.8/4622=1, 3301/4589=1 Peak 4622 from cnoeabs.peaks (1.69, 6.67, 117.44 ppm; 4.48 A): 3 out of 10 assignments used, quality = 0.96: HB2 LEU 30 + QE TYR 32 OK 77 100 - 77 - 1.8/4590=28, 4589=27...(15) HB3 LYS 31 + QE TYR 32 OK 66 97 - 69 - 4.1/653=27, ~4597=18...(13) HB3 ARG 27 + QE TYR 32 OK 50 98 - 51 - 4.8/4601=18, ~4539=8...(15) HD3 LYS 31 - QE TYR 32 OK 26 88 - 30 - 3903/6.4=6, 3.0/4624=5...(7) HD2 LYS 31 - QE TYR 32 OK 25 84 - 30 - 3903/6.4=6, 3.0/4624=5...(7) HB3 GLU 51 - QE TYR 32 OK 22 99 - 23 - 5068/4625=8, 5088/5688=3...(5) HB3 LEU 73 - QE TYR 32 OK 17 84 - 20 - ~5708=3, 5703/5688=3...(8) HG2 LYS 78 - QE TYR 32 lone 9 96 - 10 - 5814/4593=2 HG3 ARG 28 - QE TYR 32 poor 6 62 - 11 - 4.6/4637=4, 5665/5688=1 HB3 LYS 91 - QE TYR 32 lone 5 100 - 5 - Peak 4623 from cnoeabs.peaks (1.50, 6.67, 117.44 ppm; 3.39 A): 3 out of 13 assignments used, quality = 0.94: QB ALA 72 + QE TYR 32 OK 76 97 - 78 - 5698=36, 2.9/5688=22...(13) QB ALA 71 + QE TYR 32 OK 65 86 - 76 - 5638=33, 3.7/5688=18...(13) HB3 LYS 26 + QE TYR 32 OK 32 89 - 36 - 1.8/4621=6, 3.6/4623=4...(12) HG3 ARG 27 - QE TYR 32 OK 28 89 - 31 - 3.9/4601=13, ~4539=5...(8) HD2 LYS 17 - QE TYR 32 OK 16 99 - 16 - 3.0/4616=2, 3.0/4616=2...(7) HD3 LYS 17 - QE TYR 32 OK 16 99 - 16 - 3.0/4616=2, 3.0/4616=2...(7) HG LEU 79 - QE TYR 32 OK 12 65 - 19 - ~5873=4, 2.1/4626=3...(7) HB2 LYS 56 - QE TYR 32 lone 10 100 - 10 - HG LEU 34 - QE TYR 32 lone 9 94 - 9 - 2.1/4622=1, ~4610=1...(4) HD3 LYS 64 - QE TYR 32 lone 8 77 - 10 - 5439/4924=1, 2882/5036=1...(4) HG2 GLU 37 - QE TYR 32 lone 6 100 - 5 - ~4907=1 HB2 LEU 85 - QE TYR 32 lone 5 96 - 5 - HB2 ARG 45 - QE TYR 32 lone 3 99 - 3 - Peak 4624 from cnoeabs.peaks (1.31, 6.67, 117.44 ppm; 3.95 A): 3 out of 8 assignments used, quality = 0.99: HB VAL 50 + QE TYR 32 OK 91 96 - 95 - 5031=40, 2.1/5036=38...(20) HB3 LYS 68 + QE TYR 32 OK 71 80 - 90 - 3.0/4615=25, 2.9/5528=20...(24) HB2 LYS 26 + QE TYR 32 OK 48 99 - 49 - 4609/2.2=8, 3.6/4623=6...(21) HG3 LYS 31 - QE TYR 32 OK 40 92 - 43 - ~4597=11, 3901/6.4=10...(11) HG3 ARG 45 - QE TYR 32 lone 6 99 - 6 - 4609/2.2=1 HD3 LYS 44 - QE TYR 32 lone 6 75 - 8 - 137/653=1 QB ALA 60 - QE TYR 32 lone 6 99 - 6 - 4609/2.2=1 QB ALA 86 - QE TYR 32 lone 1 65 - 2 - Peak 4625 from cnoeabs.peaks (0.90, 6.67, 117.44 ppm; 4.08 A): 3 out of 6 assignments used, quality = 0.94: HB3 LEU 30 + QE TYR 32 OK 73 100 - 73 - 4590=21, 3.1/4593=21...(17) QD2 LEU 23 + QE TYR 32 OK 57 92 - 62 - 6201=31, 4480/4625=11...(17) HD3 LYS 26 + QE TYR 32 OK 48 100 - 49 - 3.6/4621=5, 3.0/4617=5...(23) QD1 LEU 76 - QE TYR 32 OK 31 86 - 36 - 2.1/4626=6, ~4612=4...(14) QD1 LEU 87 - QE TYR 32 OK 11 99 - 11 - 1907/4593=1, 1886/4589=1 QD1 LEU 85 - QE TYR 32 lone 9 97 - 9 - Peak 4626 from cnoeabs.peaks (0.73, 6.67, 117.44 ppm; 3.43 A): 5 out of 7 assignments used, quality = 0.95: QG2 VAL 20 + QE TYR 32 OK 69 100 - 69 - 2.1/4408=28, 4410=22...(13) QG1 VAL 20 + QE TYR 32 OK 59 84 - 70 - 4408=30, 2.1/4410=21...(16) QD2 LEU 76 + QE TYR 32 OK 28 96 - 29 - 4612/2.2=4, 2.1/4623=4...(11) HG2 LYS 26 + QE TYR 32 OK 27 80 - 34 - 3.0/4623=5, 2.9/4621=4...(15) QD1 LEU 79 + QE TYR 32 OK 21 97 - 21 - ~5873=5, ~4611=2...(8) HG3 LYS 64 - QE TYR 32 poor 9 80 - 11 - 4612/2.2=2, 4869/4924=2 QD1 LEU 12 - QE TYR 32 lone 5 84 - 6 - Peak 4627 from cnoeabs.peaks (0.25, 6.67, 117.44 ppm; 4.15 A): 1 out of 1 assignment used, quality = 0.89: QG2 VAL 50 + QE TYR 32 OK 89 91 - 98 - 5048=45, 2.1/5036=41...(22) Peak 4628 from cnoeabs.peaks (1.32, 6.82, 132.83 ppm; 5.50 A): 4 out of 8 assignments used, quality = 1.00: HB VAL 50 + QD TYR 32 OK 97 97 - 100 - 5031/2.2=48, 2.1/4613=48...(22) HB2 LYS 26 + QD TYR 32 OK 70 93 - 76 - 4621/2.2=9, 4610/3.7=7...(32) HG3 LYS 31 + QD TYR 32 OK 70 78 - 89 - 3.7/4598=31, 3901/4.4=28...(21) HB3 LYS 68 + QD TYR 32 OK 61 61 - 100 - 3.0/4604=44, ~4615=30...(36) HG3 ARG 45 - QD TYR 32 OK 13 98 - 13 - 4621/2.2=1, 4610/3.7=1...(4) QB ALA 60 - QD TYR 32 OK 13 94 - 13 - 4646/4.6=2, 5347/3147=1...(4) HD3 LYS 44 - QD TYR 32 OK 11 56 - 20 - 137/4.4=3, 4801/4596=3...(6) QB ALA 86 - QD TYR 32 lone 3 76 - 4 - Peak 4629 from cnoeabs.peaks (0.78, 6.82, 132.83 ppm; 6.11 A): 4 out of 5 assignments used, quality = 1.00: QD1 LEU 30 + QD TYR 32 OK 90 95 - 94 - 4593/2.2=47, ~4590=30...(20) QD1 LEU 23 + QD TYR 32 OK 71 94 - 76 - ~6201=40, 4481/4613=17...(16) HG3 LYS 68 + QD TYR 32 OK 66 67 - 100 - 3.9/4604=44, ~5526=36...(32) QD2 LEU 79 + QD TYR 32 OK 50 96 - 52 - 5873=12, 4616/2.5=6...(17) QD1 LEU 73 - QD TYR 32 OK 43 98 - 44 - 2.1/5708=8, 4616/2.5=4...(19) Peak 4630 from cnoeabs.peaks (3.53, 6.67, 117.44 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.93: HA LYS 68 + QE TYR 32 OK 93 96 - 97 - 5519=47, 4604/2.2=42...(22) Peak 4631 from cnoeabs.peaks (3.95, 6.67, 117.44 ppm; 4.72 A): 2 out of 6 assignments used, quality = 0.98: HA ALA 72 + QE TYR 32 OK 90 97 - 93 - 5690=49, 2.1/5698=45...(16) HA ALA 71 + QE TYR 32 OK 75 92 - 81 - 2.1/5638=43, 3.6/5688=33...(9) HA LEU 23 - QE TYR 32 OK 36 80 - 45 - 3.9/6201=28, 3.0/5568=5...(7) HA LEU 76 - QE TYR 32 OK 29 95 - 30 - 4.0/4626=5, 4.0/4625=4...(12) HA3 GLY 16 - QE TYR 32 OK 10 82 - 12 - 4311/4408=3, 4311/4410=2 HA GLU 25 - QE TYR 32 poor 10 82 - 12 - 3159/5698=2, 338/5688=2...(4) Peak 4634 from cnoeabs.peaks (4.60, 2.51, 39.34 ppm; 4.82 A): 4 out of 9 assignments used, quality = 0.88: HA LYS 31 + HB2 TYR 32 OK 79 100 - 80 - 3897/4.0=38, 4598/2.5=31...(14) HA ARG 27 + HB2 TYR 32 OK 20 92 - 22 - 4603/2.5=9, 133/4.0=5...(5) HA ASN 24 + HB2 TYR 32 OK 15 71 - 21 - 4598/2.5=4, 3.0/2017=3...(10) HA ASN 63 + HB2 TYR 32 OK 13 83 - 15 - 4603/2.5=2, 2802/1.8=2...(7) HA THR 38 - HB2 TYR 32 lone 9 97 - 10 - 133/4.0=4, 4603/2.5=3 HA LEU 12 - HB2 TYR 32 lone 7 100 - 7 - 4603/2.5=2 HA ASP 82 - HB2 TYR 32 lone 5 92 - 5 - 2038/4.7=2, 4603/2.5=1 HA ASP 43 - HB2 TYR 32 lone 4 100 - 4 - HA HIS 10 - HB2 TYR 32 lone 2 83 - 2 - Peak 4636 from cnoeabs.peaks (8.13, 6.67, 117.44 ppm; 5.38 A): 2 out of 4 assignments used, quality = 0.97: H ALA 71 + QE TYR 32 OK 92 100 - 92 - 2.9/5638=43, 5630=35...(17) H LEU 30 + QE TYR 32 OK 69 91 - 76 - 4.0/4590=29, 4.0/4589=29...(11) H ALA 89 - QE TYR 32 OK 13 86 - 15 - 1904/4593=2, 1890/4590=2...(4) H MET 11 - QE TYR 32 poor 8 72 - 11 - 1904/4593=2, 1890/4590=1...(4) Peak 4637 from cnoeabs.peaks (8.35, 6.67, 117.44 ppm; 4.37 A): 2 out of 6 assignments used, quality = 0.96: H ALA 72 + QE TYR 32 OK 93 99 - 93 - 5688=45, 2.9/5698=36...(16) H TYR 70 + QE TYR 32 OK 41 86 - 47 - 4.6/5630=14, 1058/4615=9...(14) H ARG 28 - QE TYR 32 OK 34 100 - 34 - 4597/2.2=5, 4.2/4622=4...(14) H ASN 90 - QE TYR 32 lone 5 72 - 7 - 4.6/4636=1 H GLY 40 - QE TYR 32 lone 4 75 - 5 - H GLY 39 - QE TYR 32 lone 4 75 - 5 - Peak 4638 from cnoeabs.peaks (9.14, 6.67, 117.44 ppm; 4.53 A): 3 out of 3 assignments used, quality = 0.83: H VAL 50 + QE TYR 32 OK 64 86 - 75 - 4.0/5036=31, 4.0/4625=29...(11) HE ARG 27 + QE TYR 32 OK 41 97 - 42 - 5997/2.2=18, ~4539=10...(11) H ASP 53 + QE TYR 32 OK 20 97 - 20 - 4418/4408=4, 2491/5036=4...(5) Peak 4640 from cnoeabs.peaks (4.95, 1.94, 32.61 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.92: HA TYR 32 + HB2 GLU 33 OK 82 100 - 82 - 143/4.1=33, 4643/3.0=32...(16) HA LEU 34 + HB2 GLU 33 OK 56 65 - 86 - 3.0/3912=20, 4641/1.8=14...(22) Peak 4641 from cnoeabs.peaks (4.95, 1.81, 32.61 ppm; 4.86 A): 3 out of 4 assignments used, quality = 0.93: HA TYR 32 + HB3 GLU 33 OK 82 100 - 82 - 143/4.1=33, 4643/3.0=32...(13) HA LEU 34 + HB3 GLU 33 OK 56 65 - 86 - 4640/1.8=16, ~3912=14...(22) HA LEU 34 + HB2 LYS 44 OK 13 42 - 30 - 6060/4.0=5, 2071/3.7=3...(11) HA TYR 32 - HB2 LYS 44 poor 9 74 - 12 - 3.6/2050=3, 4611=2, 4643/2065=1 Peak 4642 from cnoeabs.peaks (4.95, 2.22, 35.42 ppm; 5.21 A): 2 out of 2 assignments used, quality = 0.92: HA TYR 32 + HG2 GLU 33 OK 83 100 - 83 - 4643/1.8=43, 143/5.1=29...(12) HA LEU 34 + HG2 GLU 33 OK 52 65 - 80 - 3.0/152=22, ~153=15...(15) Peak 4643 from cnoeabs.peaks (4.94, 2.06, 35.42 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.71: HA TYR 32 + HG3 GLU 33 OK 71 100 - 71 - 143/5.1=26, 4642/1.8=22...(11) Peak 4650 from cnoeabs.peaks (1.44, 4.63, 54.21 ppm; 4.24 A): 7 out of 20 assignments used, quality = 0.85: HB3 LEU 34 + HA GLU 33 OK 52 90 - 57 - 4.0/3911=19, 4668=8...(14) HD2 LYS 44 + HA GLU 33 OK 24 89 - 27 - 664/3.6=4, 4660/4.2=3...(14) HB3 LEU 76 + HA ASP 82 OK 21 59 - 36 - ~3222=6, 3229/3.0=6...(11) HB3 LEU 76 + HA GLU 33 OK 18 71 - 25 - ~3226=2, 3.0/2041=2...(16) HB3 LYS 64 + HA GLU 33 OK 18 100 - 18 - 664/3.6=2, 3.0/5417=2...(8) HG LEU 12 + HA GLU 33 OK 14 68 - 20 - ~4653=6, ~4648=4...(7) HG2 ARG 27 + HA GLU 33 OK 13 83 - 16 - 664/3.6=3, 4660/4.2=2...(9) HG2 LYS 65 - HA GLU 33 poor 10 99 - 10 - 5.0/5452=2, 4660/4.2=1 HD2 LYS 64 - HA GLU 33 poor 9 87 - 10 - 5.0/5417=2, 5438/4891=1 HB3 LEU 34 - HA ASP 82 lone 6 78 - 8 - 4.0/3911=2, ~5923=1, 4668=1 HG3 LYS 78 - HA GLU 33 lone 6 85 - 7 - 3333/3.0=1 HG2 ARG 27 - HA ASP 82 lone 6 71 - 8 - HG3 LYS 78 - HA ASP 82 lone 6 73 - 8 - ~389=2, 3329/4.8=2, ~390=1 HD2 LYS 44 - HA ASP 82 lone 4 77 - 6 - HB3 LYS 64 - HA ASP 82 lone 4 91 - 4 - HG LEU 12 - HA ASP 82 lone 3 57 - 6 - HD2 LYS 64 - HA ASP 82 lone 3 75 - 3 - HB3 ARG 45 - HA GLU 33 lone 2 90 - 3 - HG2 LYS 65 - HA ASP 82 lone 2 89 - 2 - HB3 ARG 45 - HA ASP 82 lone 1 78 - 1 - Peak 4652 from cnoeabs.peaks (1.10, 1.94, 32.61 ppm; 4.23 A): 0 out of 4 assignments used, low quality = 0.10: QG2 THR 38 - HB2 GLU 33 OK 10 85 - 12 - 3.2/2045=2, 6153/3.0=2 QG1 VAL 66 - HB2 GLU 33 lone 9 87 - 10 - 6153/3.0=2 QG2 THR 13 - HB2 GLU 33 lone 6 100 - 6 - 6153/3.0=2 HG3 LYS 14 - HB2 GLU 33 lone 4 100 - 4 - Peak 4653 from cnoeabs.peaks (0.66, 1.94, 32.61 ppm; 4.34 A): 2 out of 2 assignments used, quality = 0.81: QD1 ILE 35 + HB2 GLU 33 OK 71 100 - 71 - 4662/3.0=18, 4658/3.0=17...(16) QD2 LEU 12 + HB2 GLU 33 OK 36 99 - 36 - 4658/3.0=7, 4662/3.0=6...(11) Peak 4654 from cnoeabs.peaks (0.82, 1.94, 32.61 ppm; 3.55 A): 5 out of 8 assignments used, quality = 0.85: QG2 ILE 35 + HB2 GLU 33 OK 54 100 - 54 - 3.1/4653=13, ~4655=9...(12) HG3 LYS 68 + HB2 GLU 33 OK 34 81 - 42 - 4663/3.0=5, 4657/3.0=4...(19) QG1 VAL 47 + HB2 GLU 33 OK 31 100 - 31 - 4663/3.0=4, 2406=3...(13) QG2 VAL 47 + HB2 GLU 33 OK 23 89 - 26 - 4663/3.0=3, 2.1/2406=2...(13) QD2 LEU 73 + HB2 GLU 33 OK 10 90 - 11 - 6148=1, 4657/3.0=1, 4663/3.0=1 QD2 LEU 85 - HB2 GLU 33 lone 4 95 - 4 - HD2 LYS 26 - HB2 GLU 33 lone 3 68 - 4 - QD2 LEU 87 - HB2 GLU 33 lone 2 83 - 2 - Peak 4655 from cnoeabs.peaks (0.63, 1.81, 32.61 ppm; 4.95 A): 2 out of 2 assignments used, quality = 0.65: QD1 ILE 35 + HB3 GLU 33 OK 58 78 - 74 - 4662/3.0=26, 4658/3.0=19...(15) QD1 ILE 35 + HB2 LYS 44 OK 17 51 - 34 - 3927/4.0=8, 2146/3.0=5...(9) Peak 4657 from cnoeabs.peaks (0.82, 2.22, 35.42 ppm; 4.74 A): 4 out of 8 assignments used, quality = 0.95: QG2 ILE 35 + HG2 GLU 33 OK 76 100 - 76 - 3.1/4658=22, ~4662=18...(13) HG3 LYS 68 + HG2 GLU 33 OK 49 81 - 61 - 4663/1.8=10, 4654/3.0=9...(21) QG1 VAL 47 + HG2 GLU 33 OK 39 100 - 40 - 4654/3.0=8, 4663/1.8=8...(13) QG2 VAL 47 + HG2 GLU 33 OK 30 89 - 34 - 4654/3.0=6, ~4663=6...(11) QD2 LEU 73 - HG2 GLU 33 OK 17 90 - 18 - 6105=3, 2.1/6104=3...(5) HD2 LYS 26 - HG2 GLU 33 lone 6 68 - 9 - 5.8/94=1, ~4528=1 QD2 LEU 85 - HG2 GLU 33 lone 5 95 - 6 - QD2 LEU 87 - HG2 GLU 33 lone 3 83 - 4 - Peak 4658 from cnoeabs.peaks (0.65, 2.22, 35.42 ppm; 4.94 A): 2 out of 2 assignments used, quality = 0.85: QD1 ILE 35 + HG2 GLU 33 OK 79 99 - 79 - 4662/1.8=33, 4653/3.0=23...(13) QD2 LEU 12 + HG2 GLU 33 OK 31 89 - 35 - 4653/3.0=12, 4662/1.8=11...(8) Peak 4659 from cnoeabs.peaks (1.28, 2.22, 35.42 ppm; 5.69 A): 4 out of 9 assignments used, quality = 0.95: HB3 LYS 68 + HG2 GLU 33 OK 68 97 - 70 - 4664/1.8=11, 3051=11...(21) HG3 LYS 31 + HG2 GLU 33 OK 54 87 - 62 - 6034/1.8=22, 3.0/4661=11...(14) HD3 LYS 44 + HG2 GLU 33 OK 47 98 - 48 - 1.8/4660=9, 4664/1.8=8...(14) HG3 LYS 56 + HG2 GLU 33 OK 36 100 - 36 - 4664/1.8=6, ~5211=3...(16) HG3 LYS 17 - HG2 GLU 33 OK 33 97 - 34 - 2.9/4661=6, 2.9/4661=6...(9) HG3 LYS 65 - HG2 GLU 33 OK 19 87 - 22 - 1.8/4660=3, 3.0/4661=3...(5) HB2 LYS 26 - HG2 GLU 33 OK 11 65 - 16 - 4.0/94=3, 4646/5.1=2...(5) HB3 LEU 23 - HG2 GLU 33 lone 8 78 - 10 - 4477/3.0=1, ~4476=1, 4664/1.8=1 QB ALA 60 - HG2 GLU 33 lone 5 63 - 7 - Peak 4660 from cnoeabs.peaks (1.43, 2.22, 35.42 ppm; 5.37 A): 6 out of 8 assignments used, quality = 0.94: HB3 LEU 34 + HG2 GLU 33 OK 62 100 - 62 - 4.0/152=19, 3.0/4642=14...(10) HG2 LYS 31 + HG2 GLU 33 OK 51 85 - 60 - ~6034=19, 4665/1.8=11...(14) HD2 LYS 44 + HG2 GLU 33 OK 45 99 - 45 - 4665/1.8=8, 1.8/4659=6...(16) HG2 ARG 27 + HG2 GLU 33 OK 21 98 - 21 - 2.9/4661=4, 4665/1.8=4...(7) HG2 LYS 65 + HG2 GLU 33 OK 17 85 - 20 - 3.0/4661=3, 4665/1.8=3...(6) HB3 LYS 64 + HG2 GLU 33 OK 17 93 - 18 - 4665/1.8=3, 4650/4.2=3...(7) HD2 LYS 64 - HG2 GLU 33 poor 6 60 - 10 - ~5439=1, 4650/4.2=1...(5) HB3 ARG 45 - HG2 GLU 33 lone 2 65 - 3 - Peak 4661 from cnoeabs.peaks (1.71, 2.22, 35.42 ppm; 4.53 A): 7 out of 9 assignments used, quality = 0.83: HB3 LYS 31 + HG2 GLU 33 OK 41 96 - 43 - ~6034=11, 3.0/4660=6...(10) HG2 LYS 78 + HG2 GLU 33 OK 23 97 - 24 - 3.7/5818=4, 4.9/367=4...(7) HB3 LYS 17 + HG2 GLU 33 OK 21 99 - 22 - 4.6/3914=4, 6123/1.8=4...(7) HB2 LYS 17 + HG2 GLU 33 OK 21 98 - 22 - 4.6/3914=4, 6123/1.8=4...(7) HB3 GLU 51 + HG2 GLU 33 OK 18 60 - 30 - 4666/1.8=4, 3.0/2059=3...(15) HB3 ARG 27 + HG2 GLU 33 OK 15 93 - 17 - 2.9/4660=2, 3.0/2057=2...(6) HB3 LYS 65 + HG2 GLU 33 OK 10 76 - 13 - 3.0/4660=2, 3.0/4659=2...(5) HB2 LEU 30 - HG2 GLU 33 lone 3 81 - 4 - HB3 LYS 91 - HG2 GLU 33 lone 3 71 - 4 - Peak 4662 from cnoeabs.peaks (0.64, 2.06, 35.42 ppm; 4.55 A): 2 out of 2 assignments used, quality = 0.76: QD1 ILE 35 + HG3 GLU 33 OK 70 97 - 72 - 4658/1.8=24, 4655/3.0=20...(12) QD2 LEU 12 + HG3 GLU 33 OK 22 78 - 28 - 4658/1.8=10, 4653/3.0=9...(8) Peak 4663 from cnoeabs.peaks (0.82, 2.06, 35.42 ppm; 4.32 A): 5 out of 7 assignments used, quality = 0.91: QG2 ILE 35 + HG3 GLU 33 OK 66 100 - 66 - 3.1/4662=22, ~4658=13...(11) HG3 LYS 68 + HG3 GLU 33 OK 44 90 - 48 - 4654/3.0=8, 4657/1.8=7...(17) QG1 VAL 47 + HG3 GLU 33 OK 34 100 - 34 - 4654/3.0=7, 4657/1.8=6...(11) QG2 VAL 47 + HG3 GLU 33 OK 23 78 - 29 - 4654/3.0=5, 4657/1.8=4...(10) QD2 LEU 73 + HG3 GLU 33 OK 11 81 - 14 - 4657/1.8=3, 4654/3.0=2...(4) QD2 LEU 85 - HG3 GLU 33 lone 4 87 - 4 - QD2 LEU 87 - HG3 GLU 33 lone 2 71 - 3 - Peak 4664 from cnoeabs.peaks (1.29, 2.06, 35.42 ppm; 4.92 A): 6 out of 9 assignments used, quality = 0.95: HG3 LYS 31 + HG3 GLU 33 OK 58 95 - 62 - 6034=21, 1.8/4665=10...(16) HB3 LYS 68 + HG3 GLU 33 OK 56 99 - 57 - 3051/1.8=9, 2.9/4663=9...(19) HD3 LYS 44 + HG3 GLU 33 OK 39 100 - 39 - 1.8/4665=7, ~4660=5...(13) HG3 LYS 56 + HG3 GLU 33 OK 29 99 - 30 - 4659/1.8=4, 3.0/4665=3...(11) HG3 LYS 17 + HG3 GLU 33 OK 24 90 - 26 - 4.9/3915=5, ~4661=4...(9) HG3 LYS 65 + HG3 GLU 33 OK 13 76 - 16 - 1.8/4665=2, ~4660=2...(4) HB2 LYS 26 - HG3 GLU 33 poor 9 78 - 11 - 4646/5.1=2, 4659/1.8=1 HB3 LEU 23 - HG3 GLU 33 lone 6 65 - 8 - 3.9/75=2 QB ALA 60 - HG3 GLU 33 lone 4 76 - 6 - Peak 4665 from cnoeabs.peaks (1.42, 2.06, 35.42 ppm; 5.05 A): 7 out of 7 assignments used, quality = 0.94: HB3 LEU 34 + HG3 GLU 33 OK 56 100 - 56 - 4.0/153=16, 4660/1.8=10...(10) HG2 LYS 31 + HG3 GLU 33 OK 54 93 - 58 - 1.8/6034=21, 3.0/4666=8...(14) HD2 LYS 44 + HG3 GLU 33 OK 42 100 - 42 - 4660/1.8=7, 1.8/4664=7...(16) HG2 ARG 27 + HG3 GLU 33 OK 20 100 - 20 - 2.9/4666=4, 4660/1.8=3...(7) HD3 LYS 56 + HG3 GLU 33 OK 17 60 - 29 - 3.0/4664=4, ~4659=3...(11) HB3 LYS 64 + HG3 GLU 33 OK 14 85 - 16 - 4660/1.8=3, 4650/4.2=2...(7) HG2 LYS 65 + HG3 GLU 33 OK 13 73 - 17 - 4660/1.8=3, 1.8/4664=2...(6) Peak 4666 from cnoeabs.peaks (1.69, 2.06, 35.42 ppm; 4.48 A): 7 out of 10 assignments used, quality = 0.89: HB3 LYS 31 + HG3 GLU 33 OK 42 97 - 43 - 3.0/6034=14, 3.0/4665=7...(10) HB3 GLU 51 + HG3 GLU 33 OK 31 99 - 31 - 3.0/2065=3, 3.0/2065=3...(15) HD3 LYS 31 + HG3 GLU 33 OK 31 89 - 35 - 3.0/6034=14, 3.0/4665=7...(6) HD2 LYS 31 + HG3 GLU 33 OK 29 85 - 35 - 3.0/6034=14, 3.0/4665=7...(6) HG2 LYS 78 + HG3 GLU 33 OK 22 97 - 23 - 2.8/4237=5, 2.8/4239=5...(6) HB3 ARG 27 + HG3 GLU 33 OK 17 99 - 18 - 2.9/4665=3, 3.0/2063=2...(6) HB3 LEU 73 + HG3 GLU 33 OK 10 85 - 12 - 3.1/4663=2, ~6105=2...(5) HB3 LYS 91 - HG3 GLU 33 lone 4 100 - 4 - HB2 LEU 30 - HG3 GLU 33 lone 4 100 - 4 - HG3 ARG 28 - HG3 GLU 33 lone 1 63 - 2 - Peak 4667 from cnoeabs.peaks (4.64, 2.00, 41.62 ppm; 4.91 A): 4 out of 10 assignments used, quality = 0.95: HA LYS 56 + HB2 LEU 34 OK 62 81 - 77 - 4.0/2080=13, 2613/3.1=12...(26) HA GLU 33 + HB2 LEU 34 OK 58 99 - 59 - 3911/4.0=23, 4650/1.8=11...(10) HA PHE 57 + HB2 LEU 34 OK 54 96 - 57 - 2.9/2075=11, ~2082=8...(18) HA THR 38 + HB2 LEU 34 OK 31 63 - 50 - ~4781=10, 4668/1.8=7...(15) HA ARG 27 - HB2 LEU 34 OK 27 76 - 36 - 4668/1.8=7, 4.1/2078=5...(13) HA ASN 63 - HB2 LEU 34 poor 9 87 - 10 - ~5395=3, 4668/1.8=2, ~4694=1 HA ASN 24 - HB2 LEU 34 lone 8 95 - 8 - 3.6/599=2, 4668/1.8=1 HA ASP 82 - HB2 LEU 34 lone 7 76 - 9 - 3911/4.0=2, ~5923=2, 4668/1.8=2 HA HIS 42 - HB2 LEU 34 lone 3 99 - 3 - HA ASN 90 - HB2 LEU 34 lone 3 60 - 5 - Peak 4668 from cnoeabs.peaks (4.63, 1.42, 41.62 ppm; 4.87 A): 4 out of 10 assignments used, quality = 0.94: HA GLU 33 + HB3 LEU 34 OK 68 100 - 68 - 3911/4.0=23, 4650=10...(14) HA THR 38 + HB3 LEU 34 OK 46 89 - 53 - ~4781=10, 3.0/4783=9...(15) HA ARG 27 + HB3 LEU 34 OK 45 96 - 47 - 3.0/1778=6, 3.0/1770=6...(17) HA PHE 57 + HB3 LEU 34 OK 41 76 - 55 - 2.9/2082=10, ~2075=8...(16) HA ASN 63 - HB3 LEU 34 OK 14 99 - 14 - ~5395=3, 3.6/804=2...(4) HA ASP 82 - HB3 LEU 34 OK 10 96 - 11 - 3911/4.0=2, ~5923=2, 4650=1 HA ASP 43 - HB3 LEU 34 poor 8 73 - 11 - 3.6/705=6, ~4670=2, ~4672=1 HA ASN 24 - HB3 LEU 34 lone 8 100 - 8 - 4667/1.8=1 HA HIS 42 - HB3 LEU 34 lone 5 100 - 5 - HA LEU 12 - HB3 LEU 34 lone 4 78 - 5 - Peak 4669 from cnoeabs.peaks (2.72, 1.06, 26.57 ppm; 3.96 A): 3 out of 4 assignments used, quality = 0.84: HE3 LYS 64 + QD2 LEU 34 OK 51 89 - 57 - 4671/2.1=12, 6091=11...(19) HE2 LYS 64 + QD2 LEU 34 OK 49 85 - 58 - 4671/2.1=12, 6091=11...(21) HE3 LYS 44 + QD2 LEU 34 OK 36 96 - 37 - 4671/2.1=6, 3.0/2099=5...(15) HB3 ASN 90 - QD2 LEU 34 lone 3 97 - 3 - Peak 4670 from cnoeabs.peaks (2.56, 1.06, 26.57 ppm; 5.14 A): 2 out of 4 assignments used, quality = 0.96: HB3 PHE 46 + QD2 LEU 34 OK 92 99 - 93 - 2.4/4686=36, ~4691=26...(16) HG2 MET 48 + QD2 LEU 34 OK 53 63 - 84 - ~4673=29, 3.3/4867=26...(20) HB2 ASP 43 - QD2 LEU 34 OK 15 78 - 19 - 4.2/4684=8, 3.0/4674=3...(4) HB3 ASP 88 - QD2 LEU 34 lone 2 63 - 3 - Peak 4671 from cnoeabs.peaks (2.73, 1.22, 25.00 ppm; 3.89 A): 4 out of 8 assignments used, quality = 0.90: HE3 LYS 64 + QD1 LEU 34 OK 61 97 - 63 - 4669/2.1=12, 6092=10...(19) HE2 LYS 64 + QD1 LEU 34 OK 60 95 - 64 - 4669/2.1=12, 6092=10...(21) HE3 LYS 44 + QD1 LEU 34 OK 32 87 - 37 - 4669/2.1=9, 3.0/2106=4...(15) HE3 LYS 64 + HG2 LYS 17 OK 10 69 - 15 - 3.8/4677=2, 6.7/4675=2...(5) HE2 LYS 64 - HG2 LYS 17 poor 10 67 - 14 - 3.8/4677=2, 6.7/4675=2...(5) HE3 LYS 44 - HG2 LYS 17 lone 4 59 - 7 - HB3 ASN 90 - QD1 LEU 34 lone 2 90 - 2 - HB3 ASN 90 - HG2 LYS 17 lone 2 63 - 3 - Peak 4672 from cnoeabs.peaks (2.57, 1.22, 25.00 ppm; 3.36 A): 2 out of 10 assignments used, quality = 0.83: HB3 PHE 46 + QD1 LEU 34 OK 59 87 - 69 - 2.4/4690=21, 3.0/4691=18...(14) HB2 PHE 46 + QD1 LEU 34 OK 58 85 - 69 - 2.4/4690=21, 3.0/4691=18...(14) HB2 ASP 43 - QD1 LEU 34 lone 9 97 - 9 - 4.2/4688=4, 4670/2.1=1 HB3 PHE 46 - HG2 LYS 17 poor 7 59 - 12 - 2.4/4690=3, 3.0/4691=3 HB2 PHE 46 - HG2 LYS 17 poor 7 58 - 12 - 2.4/4690=3, 3.0/4691=3 HB3 ASP 82 - QD1 LEU 34 lone 3 68 - 5 - 4.0/5923=1, 4.6/910=1 HB3 ASP 88 - QD1 LEU 34 lone 1 89 - 2 - HB2 ASP 43 - HG2 LYS 17 lone 1 69 - 2 - HB3 ASP 82 - HG2 LYS 17 lone 1 44 - 1 - HB3 ASP 88 - HG2 LYS 17 lone 0 61 - 1 - Peak 4673 from cnoeabs.peaks (2.33, 1.22, 25.00 ppm; 3.82 A): 2 out of 4 assignments used, quality = 0.74: HG3 MET 48 + QD1 LEU 34 OK 68 93 - 73 - 4890/4.0=18, 4.0/4692=16...(20) HG3 MET 48 + HG2 LYS 17 OK 19 66 - 29 - 4.0/4692=5, 3.3/4866=2...(13) HG2 MET 11 - QD1 LEU 34 lone 3 90 - 3 - ~4244=2 HG2 MET 11 - HG2 LYS 17 lone 1 63 - 2 - Peak 4674 from cnoeabs.peaks (4.59, 1.06, 26.57 ppm; 5.35 A): 5 out of 7 assignments used, quality = 0.82: HA SER 36 + QD2 LEU 34 OK 49 63 - 79 - 2.9/4750=22, 3.6/4683=18...(10) HA THR 38 + QD2 LEU 34 OK 45 68 - 67 - 4.7/6195=27, ~4781=15...(14) HA ASP 43 + QD2 LEU 34 OK 15 85 - 18 - 3.6/4684=10, 3.0/4670=3, ~4672=2 HA LYS 31 + QD2 LEU 34 OK 15 97 - 15 - 1922/3.1=2, 3.7/2099=2...(5) HA THR 83 + QD2 LEU 34 OK 11 81 - 14 - ~910=2, 3513/2.1=2, ~3517=1 HA HIS 10 - QD2 LEU 34 lone 4 100 - 4 - 4.7/4686=1 HA LEU 12 - QD2 LEU 34 lone 4 81 - 5 - Peak 4675 from cnoeabs.peaks (3.27, 1.22, 25.00 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.83: HA LYS 64 + QD1 LEU 34 OK 78 100 - 79 - 5422=16, 4.1/4677=14...(26) HA LYS 64 + HG2 LYS 17 OK 22 74 - 30 - 5422=6, 4.1/4677=3...(10) Peak 4676 from cnoeabs.peaks (0.87, 1.22, 25.00 ppm; 3.40 A): 0 out of 18 assignments used, low quality = 0.44: HD2 LYS 26 - QD1 LEU 34 OK 18 76 - 24 - 1.8/1733=3, 1723=3...(12) QD1 LEU 76 - QD1 LEU 34 OK 17 99 - 18 - 2.1/6114=6, 6206/2.1=5...(5) HD3 LYS 26 - QD1 LEU 34 OK 17 71 - 24 - 1.8/1723=3, 1733=3...(12) QB ALA 75 - QD1 LEU 34 lone 8 100 - 8 - 5747/4.7=1 QD1 LEU 76 - HG2 LYS 17 lone 7 72 - 9 - 6115=2, 2.1/4677=1...(4) QD2 LEU 30 - QD1 LEU 34 lone 6 100 - 6 - QB ALA 75 - HG2 LYS 17 lone 6 75 - 8 - 5747/4.9=1, ~5765=1 QD2 LEU 30 - HG2 LYS 17 lone 3 75 - 4 - HB3 LEU 30 - QD1 LEU 34 lone 3 71 - 4 - QD1 LEU 85 - QD1 LEU 34 lone 3 89 - 3 - QD1 LEU 87 - QD1 LEU 34 lone 2 83 - 3 - HB3 LEU 30 - HG2 LYS 17 lone 2 46 - 4 - QD1 LEU 85 - HG2 LYS 17 lone 1 61 - 2 - QD2 LEU 87 - QD1 LEU 34 lone 1 60 - 2 - HD2 LYS 26 - HG2 LYS 17 lone 1 50 - 3 - HD3 LYS 26 - HG2 LYS 17 lone 1 46 - 3 - QD1 LEU 87 - HG2 LYS 17 lone 1 56 - 2 - QD2 LEU 87 - HG2 LYS 17 lone 1 38 - 2 - Peak 4677 from cnoeabs.peaks (0.69, 1.22, 25.00 ppm; 4.07 A): 4 out of 8 assignments used, quality = 0.75: HG3 LYS 64 + QD1 LEU 34 OK 56 89 - 63 - 4.1/4675=14, 1.8/5434=9...(25) QD2 LEU 76 + QD1 LEU 34 OK 20 65 - 31 - 2.1/4676=7, 6114=6...(9) QG1 VAL 50 + QD1 LEU 34 OK 19 99 - 20 - 5041/4.7=3, 5013/3.1=2...(4) HG3 LYS 64 + HG2 LYS 17 OK 12 61 - 20 - 4.1/4675=4, 1.8/5434=3...(6) QD2 LEU 12 - QD1 LEU 34 poor 7 68 - 10 - 6149/4.7=3, 674/3921=1 QG1 VAL 50 - HG2 LYS 17 lone 7 72 - 9 - 4318/4.9=1 QD2 LEU 76 - HG2 LYS 17 poor 7 42 - 16 - 2.1/4676=3, ~6171=2, 5773/1.8=1 QD2 LEU 12 - HG2 LYS 17 poor 7 44 - 15 - 4318/4.9=7, 4253/4.8=4 Peak 4678 from cnoeabs.peaks (1.85, 1.06, 26.57 ppm; 3.62 A): 5 out of 9 assignments used, quality = 0.93: HB3 GLU 37 + QD2 LEU 34 OK 57 98 - 58 - 3.0/6195=16, ~6196=10...(16) HB ILE 35 + QD2 LEU 34 OK 46 81 - 57 - 3.9/3920=16, 4706/4.0=12...(19) HB2 GLU 49 + QD2 LEU 34 OK 37 99 - 37 - 4680/2.1=5, 4988/2.1=4...(16) HB VAL 66 + QD2 LEU 34 OK 29 97 - 30 - 3.0/3000=3, 3005=3...(15) HG3 PRO 19 + QD2 LEU 34 OK 28 92 - 31 - 2.3/2098=4, 2.3/2098=4...(12) HB3 PRO 84 - QD2 LEU 34 OK 20 100 - 19 - 4680/2.1=3, 2.3/2098=2...(8) HB2 GLU 22 - QD2 LEU 34 OK 19 97 - 20 - 1.8/4453=3, 4680/2.1=2...(10) HB3 LYS 78 - QD2 LEU 34 lone 8 87 - 9 - 1.8/2098=1 HG2 PRO 81 - QD2 LEU 34 lone 5 99 - 5 - Peak 4679 from cnoeabs.peaks (1.94, 1.22, 25.00 ppm; 3.17 A): 6 out of 30 assignments used, quality = 0.92: QE MET 48 + QD1 LEU 34 OK 64 96 - 67 - 4867/2.1=15, 3.3/4673=13...(20) HB VAL 47 + QD1 LEU 34 OK 30 96 - 31 - 4.0/4687=10, 5977/3921=4...(11) HG3 GLU 49 + QD1 LEU 34 OK 29 90 - 32 - 3.0/4680=3, 5.0/4700=3...(15) HB2 GLU 33 + QD1 LEU 34 OK 28 100 - 28 - 3912/4.7=6, 4640/4.0=4...(9) HG2 PRO 19 + QD1 LEU 34 OK 21 89 - 24 - 4373/2.1=3, 1.8/4680=2...(11) QE MET 48 + HG2 LYS 17 OK 19 68 - 27 - 3.3/4673=4, 4866=3...(11) HB3 GLU 22 - QD1 LEU 34 OK 17 100 - 17 - 4453/2.1=2, 1.8/4680=2...(6) HG3 PRO 84 - QD1 LEU 34 OK 16 99 - 16 - 2.3/5951=2, 2.3/4680=2...(6) HB2 LEU 76 - QD1 LEU 34 OK 16 100 - 16 - 3.1/4676=4, 3.1/6114=4, ~6206=2 HB VAL 20 - HG2 LYS 17 OK 11 74 - 15 - 1491/4.8=2, 2.1/4398=2...(5) HB2 GLU 33 - HG2 LYS 17 OK 11 76 - 14 - 3912/4.9=2, 4.2/667=1 HB2 GLU 51 - QD1 LEU 34 OK 10 71 - 15 - ~5067=3, 5064/2.1=3...(4) HB3 GLU 22 - HG2 LYS 17 poor 10 76 - 13 - ~6202=2, 1.8/4680=1...(4) HG3 GLU 49 - HG2 LYS 17 poor 8 63 - 13 - 3.0/4967=1, 5.0/4700=1 HB2 GLN 58 - QD1 LEU 34 lone 7 87 - 8 - 4.0/4687=3 HB2 LEU 76 - HG2 LYS 17 lone 6 75 - 9 - 3.1/4676=2 HB VAL 47 - HG2 LYS 17 lone 6 68 - 9 - 4.0/4687=2, 5977/3921=1 HG2 PRO 19 - HG2 LYS 17 lone 6 61 - 9 - 3835/4.8=2, 4.9/1359=1 HB VAL 20 - QD1 LEU 34 lone 6 100 - 6 - HG3 PRO 81 - QD1 LEU 34 lone 4 76 - 6 - HD2 LYS 78 - QD1 LEU 34 lone 4 78 - 5 - HD2 LYS 78 - HG2 LYS 17 lone 3 52 - 6 - HB3 PRO 81 - QD1 LEU 34 lone 3 65 - 4 - 3.9/5923=1 HB2 GLU 77 - QD1 LEU 34 lone 3 90 - 3 - HB2 GLN 58 - HG2 LYS 17 lone 3 59 - 4 - HB2 GLU 51 - HG2 LYS 17 lone 2 46 - 5 - ~6053=1 HG3 PRO 84 - HG2 LYS 17 lone 2 74 - 3 - HB2 GLU 77 - HG2 LYS 17 lone 1 63 - 2 - HG3 PRO 81 - HG2 LYS 17 lone 1 50 - 2 - HB3 PRO 81 - HG2 LYS 17 lone 1 42 - 2 - Peak 4680 from cnoeabs.peaks (1.85, 1.22, 25.00 ppm; 3.52 A): 9 out of 18 assignments used, quality = 0.94: HB3 GLU 37 + QD1 LEU 34 OK 47 92 - 51 - 3.0/6196=13, ~6195=10...(15) HB2 GLU 49 + QD1 LEU 34 OK 41 100 - 41 - 3.7/4700=5, 4678/2.1=5...(18) HB ILE 35 + QD1 LEU 34 OK 40 65 - 61 - 3.9/3921=16, 4706/4.0=9...(19) HG3 PRO 19 + QD1 LEU 34 OK 24 81 - 29 - 4678/2.1=4, ~4373=3...(13) HB VAL 66 + QD1 LEU 34 OK 22 100 - 22 - 4678/2.1=4, 2.1/2108=2...(10) HB3 PRO 84 + QD1 LEU 34 OK 20 99 - 20 - 4678/2.1=3, 3.0/5951=2...(7) HB2 GLU 22 + QD1 LEU 34 OK 19 100 - 19 - 4450/2.1=3, 3.0/4459=2...(8) HB2 GLU 49 + HG2 LYS 17 OK 12 76 - 16 - 3.7/4700=2, 1.8/4967=2...(6) HB2 GLU 22 + HG2 LYS 17 OK 11 75 - 15 - ~6202=2, 6121/3.0=2...(5) HB ILE 35 - HG2 LYS 17 poor 8 42 - 18 - 3.9/3921=5, 2.1/2129=2...(8) HG3 PRO 19 - HG2 LYS 17 poor 6 54 - 11 - 3836/4.8=2, 4.9/1359=2 HB3 LYS 78 - QD1 LEU 34 lone 6 73 - 8 - 4678/2.1=1 HG2 PRO 81 - QD1 LEU 34 lone 6 93 - 6 - HB3 GLU 37 - HG2 LYS 17 lone 6 64 - 8 - 3.0/6196=2, 4.4/4781=1 HB VAL 66 - HG2 LYS 17 lone 4 75 - 6 - ~4317=1 HB3 LYS 78 - HG2 LYS 17 lone 3 48 - 7 - HB3 PRO 84 - HG2 LYS 17 lone 2 72 - 3 - HG2 PRO 81 - HG2 LYS 17 lone 1 66 - 2 - Peak 4682 from cnoeabs.peaks (8.63, 1.06, 26.57 ppm; 5.52 A): 2 out of 2 assignments used, quality = 0.89: H VAL 47 + QD2 LEU 34 OK 78 99 - 79 - 4687/2.1=29, 4.8/4686=27...(14) H GLN 58 + QD2 LEU 34 OK 49 97 - 51 - 4.6/2096=11, 4687/2.1=10...(15) Peak 4683 from cnoeabs.peaks (8.32, 1.06, 26.57 ppm; 5.40 A): 4 out of 6 assignments used, quality = 0.92: H GLU 37 + QD2 LEU 34 OK 87 100 - 87 - 2.9/6195=37, ~6196=23...(13) H TYR 70 + QD2 LEU 34 OK 19 93 - 20 - 4.6/4685=3, 6.5/4688=2...(6) H LEU 85 + QD2 LEU 34 OK 14 95 - 15 - 4.3/4678=3, 974/4750=1...(4) H ALA 60 + QD2 LEU 34 OK 11 97 - 12 - 5356/2.1=2, 5339/4685=2 H ALA 72 - QD2 LEU 34 poor 8 65 - 13 - H ARG 28 - QD2 LEU 34 poor 8 57 - 14 - 5.0/2099=4, 110/3.1=3...(4) Peak 4684 from cnoeabs.peaks (7.55, 1.06, 26.57 ppm; 4.73 A): 4 out of 4 assignments used, quality = 0.95: H SER 36 + QD2 LEU 34 OK 87 99 - 88 - 4753/4.0=29, 4750=25...(14) H LYS 44 + QD2 LEU 34 OK 44 89 - 50 - 4688/2.1=10, 4694/2.1=9...(17) HE22 GLN 55 + QD2 LEU 34 OK 19 87 - 22 - 4694/2.1=5, 6060/4.0=4...(7) HD21 ASN 63 + QD2 LEU 34 OK 11 60 - 18 - 1.7/5401=5, 5399=4...(4) Peak 4685 from cnoeabs.peaks (7.34, 1.06, 26.57 ppm; 4.43 A): 3 out of 5 assignments used, quality = 0.91: QE PHE 46 + QD2 LEU 34 OK 79 100 - 79 - 2.2/4686=31, ~4690=21...(16) HZ PHE 46 + QD2 LEU 34 OK 49 83 - 59 - 3.8/4686=23, 4689/2.1=12...(10) QD TYR 70 + QD2 LEU 34 OK 17 97 - 17 - 4689/2.1=3, 2.2/4688=3...(4) H ALA 75 - QD2 LEU 34 poor 9 83 - 10 - ~4676=2, 4689/2.1=2 H GLU 25 - QD2 LEU 34 lone 6 73 - 9 - 4502/2.1=2, 4501/2.1=1 Peak 4686 from cnoeabs.peaks (7.00, 1.06, 26.57 ppm; 4.15 A): 2 out of 4 assignments used, quality = 0.82: QD PHE 46 + QD2 LEU 34 OK 79 97 - 82 - 4690/2.1=29, 4635=25...(15) QE PHE 80 + QD2 LEU 34 OK 16 73 - 21 - 4690/2.1=8, 4722/3.1=2...(7) HD2 HIS 10 - QD2 LEU 34 lone 4 100 - 4 - 4690/2.1=1 HD22 ASN 24 - QD2 LEU 34 lone 1 65 - 1 - Peak 4687 from cnoeabs.peaks (8.62, 1.22, 25.00 ppm; 3.64 A): 3 out of 4 assignments used, quality = 0.76: H VAL 47 + QD1 LEU 34 OK 66 100 - 66 - 3.6/4691=19, 4823=16...(14) H GLN 58 + QD1 LEU 34 OK 22 81 - 27 - 4682/2.1=5, 4823=3...(11) H VAL 47 + HG2 LYS 17 OK 12 75 - 16 - 3.6/4691=3, 4.8/4690=2...(6) H GLN 58 - HG2 LYS 17 lone 5 54 - 9 - 257/4.9=1 Peak 4688 from cnoeabs.peaks (7.56, 1.22, 25.00 ppm; 3.50 A): 3 out of 8 assignments used, quality = 0.79: H SER 36 + QD1 LEU 34 OK 66 100 - 66 - 4753/4.0=16, 4750/2.1=13...(16) H LYS 44 + QD1 LEU 34 OK 28 96 - 29 - 4684/2.1=5, 4694/2.1=5...(11) H SER 36 + HG2 LYS 17 OK 13 76 - 17 - 4.7/3921=4, 166=3...(5) HE22 GLN 55 - QD1 LEU 34 poor 9 76 - 12 - 4694/2.1=3, 4684/2.1=2 HD21 ASN 63 - QD1 LEU 34 lone 6 73 - 9 - 5399/2.1=3, ~5401=2 H LYS 44 - HG2 LYS 17 lone 4 68 - 6 - HE22 GLN 55 - HG2 LYS 17 lone 2 50 - 4 - HD21 ASN 63 - HG2 LYS 17 lone 2 48 - 4 - Peak 4689 from cnoeabs.peaks (7.33, 1.22, 25.00 ppm; 3.97 A): 4 out of 10 assignments used, quality = 0.92: QE PHE 46 + QD1 LEU 34 OK 78 99 - 79 - 2.2/4690=28, ~4686=17...(15) HZ PHE 46 + QD1 LEU 34 OK 52 92 - 57 - 3.8/4690=19, ~4685=10...(12) QD TYR 70 + QD1 LEU 34 OK 13 100 - 13 - 4685/2.1=3, ~4688=2, ~5613=2 QE PHE 46 + HG2 LYS 17 OK 11 72 - 15 - 2.2/4690=4, 5.6/4691=2...(4) H ALA 75 - QD1 LEU 34 poor 7 71 - 10 - 2.9/4676=3, 4685/2.1=2 HZ PHE 46 - HG2 LYS 17 poor 7 64 - 11 - 3.8/4690=3, 7.2/4691=1 H GLU 25 - QD1 LEU 34 lone 6 60 - 10 - 4.6/608=2, 4502=1, 4685/2.1=1 H ALA 75 - HG2 LYS 17 lone 4 46 - 9 - 2.9/4676=2, ~5765=1 QD TYR 70 - HG2 LYS 17 lone 3 74 - 4 - 4579/4293=1 H GLU 25 - HG2 LYS 17 lone 2 38 - 5 - 4502=1 Peak 4690 from cnoeabs.peaks (7.01, 1.22, 25.00 ppm; 3.15 A): 3 out of 6 assignments used, quality = 0.75: QD PHE 46 + QD1 LEU 34 OK 67 100 - 67 - 4686/2.1=16, 3.7/4691=13...(15) QE PHE 80 + QD1 LEU 34 OK 17 87 - 20 - 4716/4691=4, 4686/2.1=3...(6) QD PHE 46 + HG2 LYS 17 OK 10 74 - 14 - 3.7/4691=2, 4811=2...(6) QE PHE 80 - HG2 LYS 17 lone 5 59 - 9 - 4724=1 HD2 HIS 10 - QD1 LEU 34 lone 3 99 - 3 - HD2 HIS 10 - HG2 LYS 17 lone 1 74 - 1 - Peak 4691 from cnoeabs.peaks (5.15, 1.22, 25.00 ppm; 3.98 A): 2 out of 2 assignments used, quality = 0.74: HA PHE 46 + QD1 LEU 34 OK 71 99 - 72 - 3.7/4690=20, 3.6/4687=18...(11) HA PHE 46 + HG2 LYS 17 OK 11 74 - 14 - 3.6/4687=3, 3.7/4690=3...(5) Peak 4692 from cnoeabs.peaks (5.62, 1.22, 25.00 ppm; 4.03 A): 2 out of 2 assignments used, quality = 0.88: HA MET 48 + QD1 LEU 34 OK 84 97 - 87 - 4876/4.0=26, 4.0/4673=18...(25) HA MET 48 + HG2 LYS 17 OK 24 69 - 34 - 4.0/4673=5, 4876/2104=4...(12) Peak 4693 from cnoeabs.peaks (5.62, 1.06, 26.57 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.98: HA MET 48 + QD2 LEU 34 OK 98 99 - 99 - 4876/4.0=48, 4692/2.1=39...(23) Peak 4694 from cnoeabs.peaks (7.55, 1.51, 27.40 ppm; 4.51 A): 3 out of 5 assignments used, quality = 0.85: H SER 36 + HG LEU 34 OK 72 95 - 77 - 4753/4.3=24, 4.7/3919=22...(10) H LYS 44 + HG LEU 34 OK 32 76 - 42 - 4684/2.1=9, 4688/2.1=9...(11) HE22 GLN 55 + HG LEU 34 OK 18 96 - 19 - 4684/2.1=4, 6060/4.3=3...(5) H ASN 63 - HG LEU 34 poor 9 65 - 14 - 5395/2.1=5, 4.6/808=2 H ALA 69 - HG LEU 34 lone 6 63 - 9 - 3.6/4195=2 Peak 4695 from cnoeabs.peaks (5.60, 1.51, 27.40 ppm; 6.19 A): 1 out of 1 assignment used, quality = 0.95: HA MET 48 + HG LEU 34 OK 95 97 - 97 - 4699/4.3=46, 4696/3.0=37...(21) Peak 4696 from cnoeabs.peaks (5.60, 1.42, 41.62 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.95: HA MET 48 + HB3 LEU 34 OK 95 97 - 97 - 4699/3.0=50, 4904/4.2=45...(17) Peak 4697 from cnoeabs.peaks (5.63, 2.00, 41.62 ppm; 6.06 A): 1 out of 1 assignment used, quality = 0.88: HA MET 48 + HB2 LEU 34 OK 88 90 - 97 - 4876/3.0=45, 4704/4.2=45...(19) Peak 4699 from cnoeabs.peaks (5.60, 4.97, 54.95 ppm; 3.63 A): 1 out of 1 assignment used, quality = 0.87: HA MET 48 + HA LEU 34 OK 87 97 - 90 - 4876=49, 4904/3.6=23...(19) Peak 4700 from cnoeabs.peaks (9.45, 1.22, 25.00 ppm; 5.25 A): 2 out of 4 assignments used, quality = 0.93: H GLU 49 + QD1 LEU 34 OK 81 92 - 88 - 4931/4.0=34, 3.6/4692=31...(23) H GLU 33 + QD1 LEU 34 OK 65 100 - 65 - 148/4.7=17, 6059/4.0=14...(18) H GLU 49 - HG2 LYS 17 OK 27 64 - 42 - 3.6/4692=9, 4931/2104=5...(14) H GLU 33 - HG2 LYS 17 OK 25 75 - 33 - 971/4.9=5, 4644/4692=4...(12) Peak 4705 from cnoeabs.peaks (5.62, 1.87, 37.61 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.97: HA MET 48 + HB ILE 35 OK 97 99 - 98 - 4708/2.1=47, 4704/3.9=44...(21) Peak 4706 from cnoeabs.peaks (4.98, 1.87, 37.61 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.94: HA LEU 34 + HB ILE 35 OK 94 100 - 94 - 4707/2.1=41, 155/3.9=41...(20) Peak 4707 from cnoeabs.peaks (4.99, 0.82, 17.07 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.90: HA LEU 34 + QG2 ILE 35 OK 90 97 - 92 - 155/4.0=36, 4706/2.1=33...(21) Peak 4708 from cnoeabs.peaks (5.62, 0.82, 17.07 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.94: HA MET 48 + QG2 ILE 35 OK 94 99 - 95 - 4704/4.0=34, 4730/3.1=31...(24) Peak 4709 from cnoeabs.peaks (6.56, 0.82, 17.07 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.95: HE22 GLN 58 + QG2 ILE 35 OK 95 99 - 96 - 4721/3.1=31, 5310/3.2=21...(30) Peak 4710 from cnoeabs.peaks (8.21, 0.82, 17.07 ppm; 4.85 A): 1 out of 5 assignments used, quality = 0.99: HE21 GLN 58 + QG2 ILE 35 OK 99 100 - 99 - 1.7/4709=46, 5307/3.1=32...(35) H LYS 56 - QG2 ILE 35 OK 26 98 - 27 - 4718/3.1=6, 4720/3.2=4...(9) H LEU 79 - QG2 ILE 35 OK 24 87 - 27 - 4718/3.1=6, 4720/3.2=5...(6) H LEU 87 - QG2 ILE 35 OK 10 83 - 12 - 4718/3.1=2, 4720/3.2=2...(4) H GLU 22 - QG2 ILE 35 poor 9 83 - 10 - 4719/3.2=2, 4718/3.1=1 Peak 4711 from cnoeabs.peaks (8.62, 0.82, 17.07 ppm; 5.84 A): 2 out of 2 assignments used, quality = 0.96: H VAL 47 + QG2 ILE 35 OK 87 100 - 87 - 5980/4.0=31, 4769/4.4=25...(21) H GLN 58 + QG2 ILE 35 OK 74 81 - 92 - 6.6/4709=26, ~4728=24...(22) Peak 4713 from cnoeabs.peaks (8.63, 1.87, 37.61 ppm; 5.69 A): 2 out of 2 assignments used, quality = 0.96: H VAL 47 + HB ILE 35 OK 84 100 - 84 - 5980/3.9=30, 4769/4.4=26...(19) H GLN 58 + HB ILE 35 OK 77 92 - 84 - ~4728=23, 4711/2.1=17...(20) Peak 4714 from cnoeabs.peaks (9.44, 0.82, 17.07 ppm; 4.56 A): 2 out of 2 assignments used, quality = 0.98: H GLU 49 + QG2 ILE 35 OK 92 97 - 94 - 3.6/4708=28, 4927/4.0=26...(26) H GLU 33 + QG2 ILE 35 OK 73 100 - 73 - 4717/3.1=15, 4702/4.0=12...(20) Peak 4715 from cnoeabs.peaks (9.43, 1.14, 26.82 ppm; 5.32 A): 2 out of 2 assignments used, quality = 0.99: H GLU 49 + HG12 ILE 35 OK 98 100 - 98 - 6182=40, 3.6/4724=33...(21) H GLU 33 + HG12 ILE 35 OK 67 96 - 70 - 4717/2.1=20, 4716/1.8=18...(13) Peak 4716 from cnoeabs.peaks (9.43, 1.23, 26.82 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.98: H GLU 49 + HG13 ILE 35 OK 95 100 - 95 - 6182/1.8=36, 3.6/4727=31...(23) H GLU 33 + HG13 ILE 35 OK 64 96 - 67 - 4717/2.1=18, 4714/3.2=14...(16) Peak 4717 from cnoeabs.peaks (9.44, 0.65, 10.73 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.99: H GLU 49 + QD1 ILE 35 OK 94 97 - 97 - 4956=32, 3.0/4729=31...(24) H GLU 33 + QD1 ILE 35 OK 82 100 - 82 - 4.1/4653=17, 5.1/4662=14...(21) Peak 4718 from cnoeabs.peaks (8.21, 0.65, 10.73 ppm; 3.74 A): 1 out of 5 assignments used, quality = 0.95: HE21 GLN 58 + QD1 ILE 35 OK 95 99 - 96 - 5307=37, 1.7/4721=34...(33) H LYS 56 - QD1 ILE 35 OK 22 100 - 22 - 4.6/4732=3, 4710/3.1=3...(11) H LEU 79 - QD1 ILE 35 OK 20 96 - 21 - 4720/2.1=3, 4710/3.1=3...(4) H LEU 87 - QD1 ILE 35 lone 6 93 - 6 - 4710/3.1=1 H GLU 22 - QD1 ILE 35 lone 5 68 - 8 - Peak 4719 from cnoeabs.peaks (8.22, 1.23, 26.82 ppm; 5.83 A): 1 out of 5 assignments used, quality = 1.00: HE21 GLN 58 + HG13 ILE 35 OK 100 100 - 100 - ~4721=44, 5305/1.8=40...(32) H LYS 56 - HG13 ILE 35 OK 30 93 - 32 - 4720/1.8=7, 4718/2.1=7...(9) H LEU 79 - HG13 ILE 35 OK 28 76 - 36 - 4720/1.8=7, 4718/2.1=6...(10) H GLU 22 - HG13 ILE 35 OK 13 92 - 14 - 4720/1.8=2, 4710/3.2=2 H LEU 87 - HG13 ILE 35 poor 9 71 - 12 - 4720/1.8=3, 4710/3.2=3 Peak 4720 from cnoeabs.peaks (8.21, 1.14, 26.82 ppm; 5.60 A): 1 out of 5 assignments used, quality = 0.99: HE21 GLN 58 + HG12 ILE 35 OK 99 99 - 100 - ~4721=42, 1.7/5310=39...(33) H LEU 79 - HG12 ILE 35 OK 35 96 - 36 - 4718/2.1=7, 4710/3.2=6...(12) H LYS 56 - HG12 ILE 35 OK 33 100 - 34 - 4718/2.1=7, 4710/3.2=6...(9) H LEU 87 - HG12 ILE 35 OK 12 93 - 13 - 4710/3.2=2, 4718/2.1=2 H GLU 22 - HG12 ILE 35 OK 10 68 - 15 - 4719/1.8=3, 4710/3.2=2...(6) Peak 4721 from cnoeabs.peaks (6.56, 0.65, 10.73 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.97: HE22 GLN 58 + QD1 ILE 35 OK 97 100 - 97 - 5312=37, 1.7/5307=32...(30) Peak 4722 from cnoeabs.peaks (6.54, 1.23, 26.82 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.90: HE22 GLN 58 + HG13 ILE 35 OK 90 90 - 100 - 4723/1.8=40, 4721/2.1=40...(32) Peak 4723 from cnoeabs.peaks (6.55, 1.14, 26.82 ppm; 6.02 A): 1 out of 1 assignment used, quality = 1.00: HE22 GLN 58 + HG12 ILE 35 OK 100 100 - 100 - 4721/2.1=50, 4709/3.2=44...(30) Peak 4724 from cnoeabs.peaks (5.60, 1.14, 26.82 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.94: HA MET 48 + HG12 ILE 35 OK 94 97 - 96 - 4727/1.8=43, 4730/2.1=41...(23) Peak 4725 from cnoeabs.peaks (4.97, 1.14, 26.82 ppm; 5.37 A): 1 out of 1 assignment used, quality = 0.98: HA LEU 34 + HG12 ILE 35 OK 98 100 - 98 - 155/4.5=42, 4706/3.0=39...(23) Peak 4726 from cnoeabs.peaks (4.97, 1.23, 26.82 ppm; 5.72 A): 1 out of 2 assignments used, quality = 0.98: HA LEU 34 + HG13 ILE 35 OK 98 99 - 98 - 3.6/2138=45, 4725/1.8=44...(23) HA TYR 32 - HG13 ILE 35 OK 27 71 - 39 - 3.6/4716=16, 4731/2.1=10...(9) Peak 4727 from cnoeabs.peaks (5.61, 1.23, 26.82 ppm; 4.85 A): 1 out of 1 assignment used, quality = 0.95: HA MET 48 + HG13 ILE 35 OK 95 100 - 96 - 4730/2.1=40, 4724/1.8=36...(28) Peak 4728 from cnoeabs.peaks (5.80, 0.65, 10.73 ppm; 5.37 A): 1 out of 1 assignment used, quality = 0.97: HA GLN 58 + QD1 ILE 35 OK 97 100 - 97 - 4.0/4742=37, 5.6/4721=29...(34) Peak 4729 from cnoeabs.peaks (5.65, 0.65, 10.73 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.84: HA GLU 49 + QD1 ILE 35 OK 84 87 - 97 - 3.0/4963=26, 3.0/4970=26...(38) Peak 4730 from cnoeabs.peaks (5.61, 0.65, 10.73 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.95: HA MET 48 + QD1 ILE 35 OK 95 100 - 95 - 4727/2.1=35, 4708/3.1=31...(23) Peak 4731 from cnoeabs.peaks (4.97, 0.65, 10.73 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.96: HA LEU 34 + QD1 ILE 35 OK 96 99 - 96 - 3.6/2145=38, 4725/2.1=34...(25) HA TYR 32 - QD1 ILE 35 OK 27 71 - 38 - 3.6/4717=16, 4726/2.1=7...(10) Peak 4732 from cnoeabs.peaks (8.80, 0.65, 10.73 ppm; 6.16 A): 2 out of 4 assignments used, quality = 0.99: H LEU 34 + QD1 ILE 35 OK 97 99 - 99 - 4.6/2145=42, 3.0/4731=35...(23) H PHE 57 + QD1 ILE 35 OK 69 100 - 69 - 5244/4729=15...(20) H ASN 18 - QD1 ILE 35 OK 41 90 - 45 - 4.8/4353=7, 4.8/4362=6...(17) H GLY 54 - QD1 ILE 35 OK 18 87 - 21 - 154/4.8=4, 3915/4662=2...(9) Peak 4733 from cnoeabs.peaks (8.62, 0.65, 10.73 ppm; 6.12 A): 2 out of 2 assignments used, quality = 0.97: H VAL 47 + QD1 ILE 35 OK 86 100 - 87 - 5980/4.8=29, 3.9/4837=27...(18) H GLN 58 + QD1 ILE 35 OK 77 81 - 96 - 3.0/4728=42, 4.9/4742=38...(19) Peak 4734 from cnoeabs.peaks (2.00, 4.36, 60.31 ppm; 5.00 A): 4 out of 10 assignments used, quality = 1.00: HB2 LEU 34 + HA ILE 35 OK 91 99 - 92 - ~155=26, ~3916=25...(20) HG2 PRO 84 + HA ILE 35 OK 79 99 - 80 - 3557=18, 2.3/3550=17...(23) HB3 GLU 49 + HA ILE 35 OK 74 92 - 81 - 4970/4.1=25, 4968/4.2=22...(20) HG2 GLU 49 + HA ILE 35 OK 74 95 - 78 - 4976/4.2=23, 4978/4.1=22...(20) HE3 LYS 68 - HA ILE 35 OK 43 90 - 48 - 3.0/2115=6, 3.0/2115=6...(16) HB3 PRO 19 - HA ILE 35 OK 28 85 - 33 - ~4375=4, 2.3/2112=3...(16) HB2 PRO 19 - HA ILE 35 OK 25 76 - 33 - ~4375=4, 2.3/2112=3...(15) HB2 LYS 78 - HA ILE 35 OK 18 98 - 18 - 3300/3.0=2, 1.8/2112=2...(8) HB2 LEU 23 - HA ILE 35 lone 7 95 - 7 - HB2 GLU 25 - HA ILE 35 lone 4 97 - 4 - Peak 4736 from cnoeabs.peaks (3.74, 1.87, 37.61 ppm; 5.90 A): 2 out of 4 assignments used, quality = 0.94: HB2 SER 36 + HB ILE 35 OK 91 97 - 95 - 4738/2.1=35, ~4739=33...(18) HA LYS 65 + HB ILE 35 OK 26 99 - 26 - 4738/2.1=7, 4740/3.2=6...(4) HA2 GLY 40 - HB ILE 35 poor 9 73 - 12 - 4738/2.1=3, 4740/3.2=3 HA2 GLY 39 - HB ILE 35 lone 6 73 - 8 - 6064/2118=2, 6064/3.0=2 Peak 4737 from cnoeabs.peaks (3.56, 1.87, 37.61 ppm; 5.32 A): 3 out of 3 assignments used, quality = 0.95: HB3 SER 36 + HB ILE 35 OK 91 99 - 92 - 678/4.4=30, 4739/2.1=29...(17) HA LYS 68 + HB ILE 35 OK 32 65 - 49 - 4741/3.2=9, 5.2/2122=6...(16) HD3 ARG 27 + HB ILE 35 OK 14 81 - 18 - 678/4.4=6, 4739/2.1=4...(5) Peak 4738 from cnoeabs.peaks (3.75, 0.82, 17.07 ppm; 4.32 A): 2 out of 3 assignments used, quality = 0.85: HB2 SER 36 + QG2 ILE 35 OK 81 100 - 82 - 1.8/4739=31, 677/4.4=18...(13) HA LYS 65 + QG2 ILE 35 OK 17 89 - 19 - 677/4.4=4, 4740/3.1=4 HA2 GLY 40 - QG2 ILE 35 lone 7 95 - 7 - 4740/3.1=2, 677/4.4=2 Peak 4739 from cnoeabs.peaks (3.58, 0.82, 17.07 ppm; 4.20 A): 3 out of 3 assignments used, quality = 0.83: HB3 SER 36 + QG2 ILE 35 OK 78 97 - 80 - 1.8/4738=28, 678/4.4=20...(12) HA VAL 66 + QG2 ILE 35 OK 12 60 - 20 - 3.2/2128=5, ~2121=3...(7) HD3 ARG 27 + QG2 ILE 35 OK 12 100 - 12 - 678/4.4=4, 4737/2.1=2 Peak 4740 from cnoeabs.peaks (3.75, 0.65, 10.73 ppm; 5.36 A): 2 out of 3 assignments used, quality = 0.94: HB2 SER 36 + QD1 ILE 35 OK 93 100 - 93 - 4760=37, 4738/3.1=33...(17) HA LYS 65 + QD1 ILE 35 OK 20 89 - 22 - 4738/3.1=7, 4736/3.2=5...(6) HA2 GLY 40 - QD1 ILE 35 lone 9 95 - 9 - 4738/3.1=3, 4736/3.2=2 Peak 4741 from cnoeabs.peaks (3.56, 0.65, 10.73 ppm; 5.45 A): 2 out of 3 assignments used, quality = 0.93: HB3 SER 36 + QD1 ILE 35 OK 88 96 - 92 - 4766=34, 1.8/4740=32...(17) HA LYS 68 + QD1 ILE 35 OK 41 81 - 51 - 4737/3.2=8, 5.2/2150=6...(16) HD3 ARG 27 - QD1 ILE 35 poor 9 65 - 14 - 4737/3.2=4, 4739/3.1=3...(5) Peak 4742 from cnoeabs.peaks (2.39, 0.65, 10.73 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.99: HG2 GLN 58 + QD1 ILE 35 OK 99 100 - 99 - 5280=31, 3.5/4721=30...(44) Peak 4743 from cnoeabs.peaks (2.26, 0.65, 10.73 ppm; 3.87 A): 2 out of 3 assignments used, quality = 0.95: HG3 GLN 58 + QD1 ILE 35 OK 84 87 - 97 - 1.8/4742=32, 5285=26...(40) HB2 PRO 84 + QD1 ILE 35 OK 71 100 - 72 - 2.3/2146=11, 1.8/2147=7...(33) HG3 MET 11 - QD1 ILE 35 OK 18 99 - 18 - 6165/2.1=2, 6163/2.1=1...(5) Peak 4744 from cnoeabs.peaks (2.02, 0.65, 10.73 ppm; 3.26 A): 2 out of 9 assignments used, quality = 0.98: HB3 GLU 49 + QD1 ILE 35 OK 87 100 - 87 - 4970=20, 1.8/4963=19...(34) HG2 GLU 49 + QD1 ILE 35 OK 85 100 - 85 - 4978=16, 3.0/4963=15...(35) HB2 LEU 34 - QD1 ILE 35 OK 45 73 - 61 - 4.2/2145=14, 3.0/4731=10...(20) HG2 PRO 84 - QD1 ILE 35 OK 38 76 - 50 - 2.3/4743=10, 3.8/2146=5...(20) HB2 LYS 78 - QD1 ILE 35 poor 9 71 - 13 - 4.4/4718=2, 1.8/2147=2 HB2 LEU 23 - QD1 ILE 35 lone 5 100 - 5 - HG3 GLN 55 - QD1 ILE 35 lone 5 85 - 6 - 4.7/4718=2, 3.5/3927=1 HB2 GLN 55 - QD1 ILE 35 lone 5 87 - 6 - 4.6/4718=2, 4.5/3927=1 HB2 GLU 25 - QD1 ILE 35 lone 1 68 - 2 - Peak 4745 from cnoeabs.peaks (2.00, 1.23, 26.82 ppm; 4.25 A): 4 out of 10 assignments used, quality = 1.00: HG2 GLU 49 + HG13 ILE 35 OK 89 95 - 94 - 4976/1.8=25, 4978/2.1=25...(34) HB3 GLU 49 + HG13 ILE 35 OK 88 92 - 96 - 4970/2.1=28, 4968/1.8=25...(33) HB2 LEU 34 + HG13 ILE 35 OK 84 99 - 85 - 4.2/2138=26, ~4725=16...(22) HG2 PRO 84 + HG13 ILE 35 OK 69 99 - 70 - ~4743=10, 3557/4.2=9...(26) HE3 LYS 68 - HG13 ILE 35 OK 42 90 - 47 - ~2136=4, ~6080=4...(20) HB3 PRO 19 - HG13 ILE 35 OK 28 85 - 33 - ~4353=4, 2.3/2140=3...(15) HB2 PRO 19 - HG13 ILE 35 OK 25 76 - 33 - ~4353=4, 2.3/2140=3...(15) HB2 LYS 78 - HG13 ILE 35 OK 19 98 - 19 - 4.4/4719=2, 1.8/2140=2...(7) HB2 LEU 23 - HG13 ILE 35 lone 8 95 - 9 - HB2 GLU 25 - HG13 ILE 35 lone 4 97 - 4 - Peak 4746 from cnoeabs.peaks (2.00, 1.14, 26.82 ppm; 4.20 A): 4 out of 10 assignments used, quality = 1.00: HG2 GLU 49 + HG12 ILE 35 OK 90 95 - 95 - 4976=25, 4978/2.1=24...(35) HB3 GLU 49 + HG12 ILE 35 OK 89 92 - 97 - 1.8/4986=29, 4970/2.1=28...(35) HB2 LEU 34 + HG12 ILE 35 OK 81 99 - 82 - 4.2/2131=25, 3.0/4725=21...(21) HG2 PRO 84 + HG12 ILE 35 OK 69 99 - 70 - ~4743=10, 3557/4.2=9...(29) HE3 LYS 68 - HG12 ILE 35 OK 40 90 - 44 - 3.0/2136=7, 3.0/2136=7...(17) HB3 PRO 19 - HG12 ILE 35 OK 27 85 - 32 - ~4353=4, 2.3/2133=3...(14) HB2 PRO 19 - HG12 ILE 35 OK 24 76 - 32 - ~4353=4, 2.3/2133=3...(14) HB2 LYS 78 - HG12 ILE 35 OK 20 98 - 21 - 4.4/4720=3, 1.8/2133=2...(7) HB2 LEU 23 - HG12 ILE 35 lone 7 95 - 8 - HB2 GLU 25 - HG12 ILE 35 lone 3 97 - 3 - Peak 4747 from cnoeabs.peaks (2.03, 0.82, 17.07 ppm; 3.56 A): 2 out of 9 assignments used, quality = 0.95: HB3 GLU 49 + QG2 ILE 35 OK 80 95 - 85 - 4970/3.1=17, 4968/3.2=14...(34) HG2 GLU 49 + QG2 ILE 35 OK 74 92 - 80 - 4978/3.1=14, 4976/3.2=13...(33) HG3 GLU 33 - QG2 ILE 35 OK 28 60 - 47 - 3.0/4654=9, 4662/3.1=9...(9) HG3 GLN 55 - QG2 ILE 35 lone 7 99 - 7 - 4.7/4710=2, 3.5/3924=2 HB2 GLN 55 - QG2 ILE 35 lone 6 99 - 6 - 4.6/4710=2, 4.5/3924=1 HB2 LEU 23 - QG2 ILE 35 lone 5 92 - 5 - HA ALA 75 - QG2 ILE 35 lone 3 81 - 3 - HB2 MET 21 - QG2 ILE 35 lone 1 65 - 2 - QE MET 21 - QG2 ILE 35 lone 1 71 - 2 - Peak 4749 from cnoeabs.peaks (4.98, 4.36, 60.31 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 34 + HA ILE 35 OK 100 100 - 100 - 4.8=100 Peak 4755 from cnoeabs.peaks (1.92, 3.75, 64.54 ppm; 3.76 A): 4 out of 11 assignments used, quality = 0.84: HB VAL 47 + HB2 SER 36 OK 71 92 - 78 - 4832/1.8=28, 4831=21...(10) QE MET 48 + HB2 SER 36 OK 23 92 - 25 - 4887=8, 4761/1.8=4...(6) HG3 GLU 49 + HB2 SER 36 OK 20 97 - 21 - 4761/1.8=5, 4982/4760=3...(6) HB3 GLN 58 + HB2 SER 36 OK 10 71 - 15 - 4.0/4770=5, 4754/4.0=3...(5) HB2 GLU 33 - HB2 SER 36 poor 7 65 - 11 - 4653/4740=2, 4761/1.8=2...(4) HG3 PRO 81 - HB2 SER 36 lone 7 100 - 7 - 4761/1.8=2 HB3 GLU 22 - HB2 SER 36 lone 3 65 - 5 - HD2 LYS 78 - HB2 SER 36 lone 3 100 - 3 - HB VAL 20 - HB2 SER 36 lone 3 78 - 4 - HB2 MET 11 - HB2 SER 36 lone 1 78 - 2 - HB3 MET 11 - HB2 SER 36 lone 1 73 - 2 - Peak 4756 from cnoeabs.peaks (1.84, 3.75, 64.54 ppm; 5.02 A): 8 out of 12 assignments used, quality = 0.91: HB VAL 66 + HB2 SER 36 OK 36 99 - 36 - ~4764=8, 4762/1.8=7...(9) HB2 GLU 49 + HB2 SER 36 OK 32 98 - 33 - 4963/4760=7, 4762/1.8=6...(9) HB2 GLU 37 + HB2 SER 36 OK 30 81 - 37 - 4.1/170=29, ~4762=5, 4762/1.8=4 HB2 LYS 44 + HB2 SER 36 OK 30 78 - 38 - 4.0/4793=12, 3.7/6166=11...(8) HB3 GLU 37 + HB2 SER 36 OK 29 71 - 41 - 4.1/170=29, 4762/1.8=6...(6) HB3 PRO 84 + HB2 SER 36 OK 26 87 - 30 - 4762/1.8=6, ~5948=5...(8) HB3 GLU 33 + HB2 SER 36 OK 12 78 - 15 - 4655/4760=4, 1.8/4755=2...(4) HB2 GLU 22 + HB2 SER 36 OK 10 99 - 10 - 4762/1.8=2, 1.8/4755=1 HG2 PRO 81 - HB2 SER 36 poor 9 73 - 12 - 1.8/4755=2, 4762/1.8=2, ~4761=2 HG3 GLU 51 - HB2 SER 36 lone 3 63 - 4 - HG2 GLU 51 - HB2 SER 36 lone 3 60 - 4 - HG LEU 76 - HB2 SER 36 lone 2 60 - 4 - Peak 4757 from cnoeabs.peaks (1.20, 3.75, 64.54 ppm; 5.08 A): 5 out of 6 assignments used, quality = 0.82: QD1 LEU 34 + HB2 SER 36 OK 48 81 - 60 - 2.1/4758=19, 4688/4.0=16...(9) HG3 LYS 44 + HB2 SER 36 OK 31 87 - 36 - 3.0/6166=12, 4.7/4793=11...(7) HG2 LYS 14 + HB2 SER 36 OK 26 99 - 26 - ~4764=9, 1.8/4758=7...(5) QG2 THR 83 + HB2 SER 36 OK 22 89 - 25 - 3.2/2157=6, 3519/3.0=6...(5) HG3 LYS 26 + HB2 SER 36 OK 12 97 - 12 - 4763/1.8=2, 4840/4833=2 HG2 ARG 45 - HB2 SER 36 lone 6 76 - 8 - 4840/4833=2, 704/4793=2 Peak 4758 from cnoeabs.peaks (1.08, 3.75, 64.54 ppm; 4.14 A): 4 out of 5 assignments used, quality = 0.66: QD2 LEU 34 + HB2 SER 36 OK 40 90 - 45 - 4768/3.0=15, 4684/4.0=10...(7) HG2 LYS 56 + HB2 SER 36 OK 20 98 - 21 - 4764/1.8=5, 4768/3.0=4...(5) QG2 THR 38 + HB2 SER 36 OK 17 100 - 17 - 4764/1.8=6, 4780/4.5=5...(4) HG3 LYS 14 + HB2 SER 36 OK 14 78 - 18 - 4764/1.8=7, 1.8/4757=5...(4) QG2 THR 13 - HB2 SER 36 lone 5 68 - 7 - 4764/1.8=3, 4780/4.5=2 Peak 4759 from cnoeabs.peaks (0.82, 3.75, 64.54 ppm; 3.33 A): 3 out of 7 assignments used, quality = 0.95: QG1 VAL 47 + HB2 SER 36 OK 73 100 - 73 - 2.1/4831=15, 2.1/4833=15...(13) QG2 ILE 35 + HB2 SER 36 OK 63 100 - 63 - 4739/1.8=18, 4738=18...(12) QG2 VAL 47 + HB2 SER 36 OK 56 78 - 71 - 4834/1.8=16, 2.1/4831=15...(13) HG3 LYS 68 - HB2 SER 36 OK 22 90 - 25 - 2.9/4177=5, 2.9/4179=4...(12) QD2 LEU 85 - HB2 SER 36 lone 4 87 - 5 - 4.7/3929=1 QD2 LEU 73 - HB2 SER 36 lone 3 81 - 3 - QD2 LEU 87 - HB2 SER 36 lone 2 71 - 2 - Peak 4760 from cnoeabs.peaks (0.65, 3.75, 64.54 ppm; 5.24 A): 2 out of 2 assignments used, quality = 0.94: QD1 ILE 35 + HB2 SER 36 OK 91 99 - 92 - 4740=35, 3.1/4738=32...(17) QD2 LEU 12 + HB2 SER 36 OK 32 89 - 36 - 4766/1.8=10, 167/4.0=10...(5) Peak 4761 from cnoeabs.peaks (1.92, 3.57, 64.54 ppm; 3.48 A): 3 out of 11 assignments used, quality = 0.79: HB VAL 47 + HB3 SER 36 OK 71 92 - 77 - 4832=28, 2.1/4834=20...(12) HG3 GLU 49 + HB3 SER 36 OK 16 97 - 17 - 4755/1.8=4, 3.0/4762=3...(6) QE MET 48 + HB3 SER 36 OK 15 92 - 16 - 4887/1.8=6, 4754/4.0=4 HB3 GLN 58 - HB3 SER 36 poor 9 71 - 12 - 4.0/4771=4, 4754/4.0=2...(5) HB2 GLU 33 - HB3 SER 36 lone 6 65 - 10 - 4653/4766=2, 4755/1.8=2 HG3 PRO 81 - HB3 SER 36 lone 6 100 - 6 - 4755/1.8=2, 1.8/4762=1 HD2 LYS 78 - HB3 SER 36 lone 3 100 - 3 - HB3 GLU 22 - HB3 SER 36 lone 3 65 - 4 - HB VAL 20 - HB3 SER 36 lone 2 78 - 2 - HB2 MET 11 - HB3 SER 36 lone 1 78 - 1 - HB3 MET 11 - HB3 SER 36 lone 1 73 - 1 - Peak 4762 from cnoeabs.peaks (1.84, 3.57, 64.54 ppm; 4.90 A): 7 out of 11 assignments used, quality = 0.84: HB VAL 66 + HB3 SER 36 OK 30 100 - 30 - 2.1/4764=10, 4756/1.8=6...(6) HB2 GLU 49 + HB3 SER 36 OK 29 100 - 30 - 4963/4766=6, 4756/1.8=6...(10) HB3 PRO 84 + HB3 SER 36 OK 27 95 - 29 - ~5948=5, 4756/1.8=5...(8) HB3 GLU 37 + HB3 SER 36 OK 27 83 - 33 - 4.1/3930=21, 4756/1.8=5...(5) HB2 GLU 37 + HB3 SER 36 OK 20 68 - 29 - 4.1/3930=21, 4756/1.8=5, ~4756=4 HB2 LYS 44 + HB3 SER 36 OK 16 65 - 24 - 4.0/2160=7, 4756/1.8=5...(6) HG2 PRO 81 + HB3 SER 36 OK 10 85 - 12 - 1.8/4761=2, ~4755=2...(4) HB2 GLU 22 - HB3 SER 36 lone 9 100 - 9 - 4756/1.8=2 HB3 GLU 33 - HB3 SER 36 poor 8 65 - 12 - 4655/4741=2, 1.8/4761=2...(4) HG3 PRO 19 - HB3 SER 36 lone 6 68 - 9 - 682/4.5=1, 4375/4739=1 HB3 LYS 78 - HB3 SER 36 lone 3 60 - 6 - Peak 4763 from cnoeabs.peaks (1.20, 3.57, 64.54 ppm; 5.02 A): 6 out of 9 assignments used, quality = 0.94: QD1 LEU 34 + HB3 SER 36 OK 54 90 - 60 - 4688/4.0=18, ~4768=15...(7) HG13 ILE 35 + HB3 SER 36 OK 52 60 - 87 - 3.2/4739=29, 2.1/4766=24...(14) HD2 LYS 68 + HB3 SER 36 OK 30 71 - 42 - ~4177=7, ~4179=6...(13) HD3 LYS 68 + HB3 SER 36 OK 29 68 - 42 - ~4177=7, ~4179=6...(13) HG2 LYS 14 + HB3 SER 36 OK 28 100 - 28 - 1.8/4764=12, 4757/1.8=7...(5) QG2 THR 83 + HB3 SER 36 OK 26 96 - 27 - 4757/1.8=6, 3519/3.0=6...(6) HG3 LYS 44 - HB3 SER 36 OK 25 76 - 33 - ~6166=9, 4757/1.8=8...(6) HG3 LYS 26 - HB3 SER 36 OK 13 100 - 13 - 4757/1.8=3, 4840/4834=2...(4) HG2 ARG 45 - HB3 SER 36 lone 4 63 - 7 - 4840/4834=2, 4757/1.8=2 Peak 4764 from cnoeabs.peaks (1.09, 3.57, 64.54 ppm; 4.51 A): 4 out of 5 assignments used, quality = 0.51: HG3 LYS 14 + HB3 SER 36 OK 18 99 - 18 - 4758/1.8=5, ~4757=4...(4) QG1 VAL 66 + HB3 SER 36 OK 18 73 - 24 - 2.1/4762=5, ~5461=4...(7) QG2 THR 38 + HB3 SER 36 OK 15 95 - 16 - 4780/4.5=6, 4758/1.8=6 HG2 LYS 56 + HB3 SER 36 OK 13 71 - 19 - 4758/1.8=7, 4780/4.5=3...(6) QG2 THR 13 - HB3 SER 36 lone 7 97 - 7 - 4780/4.5=2, 4758/1.8=2 Peak 4765 from cnoeabs.peaks (0.83, 3.57, 64.54 ppm; 3.15 A): 3 out of 8 assignments used, quality = 0.96: QG1 VAL 47 + HB3 SER 36 OK 71 99 - 72 - 2.1/4832=20, 2.1/4834=17...(15) QG2 VAL 47 + HB3 SER 36 OK 70 96 - 74 - 4834=22, 2.1/4832=20...(14) QG2 ILE 35 + HB3 SER 36 OK 59 100 - 59 - 4739=16, 4738/1.8=15...(12) HG3 LYS 68 - HB3 SER 36 OK 12 68 - 18 - 4759/1.8=3, ~4177=3...(8) QD2 LEU 85 - HB3 SER 36 lone 4 99 - 4 - 4.7/3930=1 QD2 LEU 73 - HB3 SER 36 lone 3 97 - 3 - HD2 LYS 26 - HB3 SER 36 lone 3 81 - 3 - QD2 LEU 87 - HB3 SER 36 lone 1 92 - 2 - Peak 4766 from cnoeabs.peaks (0.65, 3.57, 64.54 ppm; 5.46 A): 2 out of 2 assignments used, quality = 0.95: QD1 ILE 35 + HB3 SER 36 OK 93 100 - 93 - 3.1/4739=33, 4740/1.8=32...(17) QD2 LEU 12 + HB3 SER 36 OK 35 97 - 36 - 4760/1.8=11, 167/4.0=11...(5) Peak 4767 from cnoeabs.peaks (0.81, 4.56, 57.61 ppm; 3.99 A): 3 out of 8 assignments used, quality = 0.98: QG2 ILE 35 + HA SER 36 OK 79 97 - 82 - 4739/3.0=20, 4738/3.0=20...(18) QG1 VAL 47 + HA SER 36 OK 78 98 - 80 - ~4832=15, ~4831=12...(17) QG2 VAL 47 + HA SER 36 OK 49 63 - 79 - ~4832=15, 4834/3.0=13...(17) HG3 LYS 68 - HA SER 36 OK 20 97 - 20 - ~5556=4, 4759/3.0=4...(9) QD2 LEU 85 - HA SER 36 lone 4 73 - 6 - 4.7/3928=2 QD2 LEU 73 - HA SER 36 lone 2 65 - 4 - 164/2.9=1 QD2 LEU 79 - HA SER 36 lone 1 63 - 2 - QD1 LEU 23 - HA SER 36 lone 1 71 - 1 - Peak 4768 from cnoeabs.peaks (1.06, 4.56, 57.61 ppm; 4.22 A): 4 out of 4 assignments used, quality = 0.76: QD2 LEU 34 + HA SER 36 OK 59 100 - 60 - 4750/2.9=15, 4758/3.0=12...(10) HG2 LYS 56 + HA SER 36 OK 17 100 - 17 - 4758/3.0=6, 4750/2.9=5...(5) QG2 VAL 66 + HA SER 36 OK 17 73 - 23 - 4750/2.9=4, ~4764=4...(7) QG2 THR 38 + HA SER 36 OK 14 93 - 15 - 4780/3.6=5, 4758/3.0=5...(4) Peak 4770 from cnoeabs.peaks (8.63, 3.75, 64.54 ppm; 5.25 A): 2 out of 2 assignments used, quality = 0.93: H VAL 47 + HB2 SER 36 OK 87 99 - 88 - 4825/1.8=34, 4826=31...(13) H GLN 58 + HB2 SER 36 OK 46 97 - 47 - 4769/4.0=13, 4771/1.8=12...(11) Peak 4771 from cnoeabs.peaks (8.62, 3.57, 64.54 ppm; 4.57 A): 2 out of 2 assignments used, quality = 0.88: H VAL 47 + HB3 SER 36 OK 83 100 - 83 - 4825=36, 4.0/4832=27...(11) H GLN 58 + HB3 SER 36 OK 32 81 - 40 - 4770/1.8=10, 4769/4.0=10...(11) Peak 4774 from cnoeabs.peaks (7.33, 1.79, 35.45 ppm; 5.93 A): 5 out of 10 assignments used, quality = 0.95: QE PHE 46 + HG3 GLU 37 OK 60 99 - 61 - 4775/1.8=16, ~4775=9...(14) QD TYR 70 + HB2 MET 48 OK 44 98 - 45 - ~4908=8, 2.2/4907=8...(16) HZ PHE 46 + HG3 GLU 37 OK 40 92 - 43 - ~4775=12, 4775/1.8=12...(10) QE PHE 46 + HB2 MET 48 OK 36 97 - 37 - ~2386=9, ~4555=8...(8) QD TYR 70 + HG3 GLU 37 OK 36 100 - 36 - 4775/1.8=11, 2.2/4907=6...(14) HZ PHE 46 - HB2 MET 48 OK 20 90 - 23 - 4641/3.0=8, 2.2/4637=3...(4) H ALA 75 - HB2 MET 48 OK 15 69 - 22 - 4.6/871=2, 2.9/5761=1...(4) H ALA 75 - HG3 GLU 37 OK 13 71 - 17 - 2.9/5767=1, ~4238=1...(5) H GLU 25 - HB2 MET 48 poor 6 58 - 11 - 4.6/4527=3 H GLU 25 - HG3 GLU 37 lone 4 60 - 7 - 4.6/4527=1 Peak 4775 from cnoeabs.peaks (7.33, 1.50, 35.45 ppm; 6.20 A): 3 out of 3 assignments used, quality = 0.82: QE PHE 46 + HG2 GLU 37 OK 53 95 - 56 - 4774/1.8=10, ~4633=9...(13) HZ PHE 46 + HG2 GLU 37 OK 40 97 - 41 - ~4774=8, 3.8/4742=7...(11) QD TYR 70 + HG2 GLU 37 OK 36 100 - 36 - 4774/1.8=6, ~4907=5...(14) Peak 4776 from cnoeabs.peaks (1.05, 1.50, 35.45 ppm; 5.70 A): 4 out of 4 assignments used, quality = 0.94: QD2 LEU 34 + HG2 GLU 37 OK 80 100 - 80 - 6195/3.8=35, 2.1/4779=17...(22) QG2 VAL 66 + HG2 GLU 37 OK 46 93 - 50 - 2.1/2185=7, 3009/3.0=7...(15) HG2 LYS 56 + HG2 GLU 37 OK 29 96 - 30 - 4777/1.8=4, 4780/4.9=2...(13) QG2 THR 38 + HG2 GLU 37 OK 22 73 - 30 - 4.0/3934=19, 4780/4.9=4...(4) Peak 4777 from cnoeabs.peaks (1.06, 1.79, 35.45 ppm; 5.08 A): 2 out of 8 assignments used, quality = 0.98: QD2 LEU 34 + HB2 MET 48 OK 92 99 - 92 - 4693/3.0=24, 4867/4.0=23...(21) QD2 LEU 34 + HG3 GLU 37 OK 74 100 - 74 - 6195/3.8=29, 4776/1.8=15...(20) QG2 VAL 66 - HG3 GLU 37 OK 41 85 - 49 - 4776/1.8=8, 3009/3.0=6...(17) HG2 LYS 56 - HB2 MET 48 OK 37 98 - 38 - 4867/4.0=9, 2.9/4851=3...(15) HG2 LYS 56 - HG3 GLU 37 OK 27 99 - 27 - 4776/1.8=5, 4780/4.9=2...(10) QG2 THR 38 - HG3 GLU 37 OK 20 85 - 24 - 4.0/3935=14, 4780/4.9=4 QG2 VAL 66 - HB2 MET 48 OK 19 83 - 23 - 4867/4.0=4, 5464/1.8=4...(7) QG2 THR 38 - HB2 MET 48 lone 8 83 - 10 - 4.0/3935=4, 4867/4.0=2 Peak 4778 from cnoeabs.peaks (1.22, 1.79, 35.45 ppm; 4.55 A): 6 out of 16 assignments used, quality = 1.00: QD1 LEU 34 + HB2 MET 48 OK 88 99 - 88 - 4673/3.0=29, 4692/3.0=28...(20) HD2 LYS 68 + HB2 MET 48 OK 81 96 - 85 - 5.2/4878=17, 4866/4.0=8...(33) HD3 LYS 68 + HB2 MET 48 OK 81 96 - 84 - 5.2/4878=17, 4866/4.0=8...(33) HG13 ILE 35 + HB2 MET 48 OK 79 93 - 85 - 4727/3.0=28, ~4730=20...(19) QD1 LEU 34 + HG3 GLU 37 OK 63 100 - 63 - 6196/3.8=20, ~4776=9...(16) HG3 LYS 26 + HB2 MET 48 OK 46 95 - 48 - 4861/3.0=4, 4856/3.0=4...(26) HG2 LYS 17 - HB2 MET 48 OK 31 76 - 40 - 4692/3.0=8, 4673/3.0=8...(15) HG13 ILE 35 - HG3 GLU 37 OK 18 95 - 19 - 4727/2417=4, ~2185=2...(7) HD2 LYS 68 - HG3 GLU 37 OK 17 98 - 17 - 5.2/4878=4, 3.0/4852=2...(5) HD3 LYS 68 - HG3 GLU 37 OK 17 97 - 17 - 5.2/4878=4, 3.0/4852=2...(5) HG2 LYS 17 - HG3 GLU 37 OK 12 78 - 15 - 6196/3.8=3 HG3 LYS 26 - HG3 GLU 37 OK 11 97 - 12 - 4779/1.8=2 HG2 LYS 14 - HB2 MET 48 OK 11 90 - 12 - 4856/3.0=1, 4861/3.0=1 QG2 THR 83 - HB2 MET 48 lone 7 99 - 7 - HG2 LYS 14 - HG3 GLU 37 lone 4 92 - 4 - QG2 THR 83 - HG3 GLU 37 lone 3 100 - 3 - Peak 4779 from cnoeabs.peaks (1.20, 1.50, 35.45 ppm; 5.94 A): 6 out of 9 assignments used, quality = 0.84: QD1 LEU 34 + HG2 GLU 37 OK 68 90 - 76 - 6196/3.8=30, 2.1/4776=19...(22) HG3 LYS 26 + HG2 GLU 37 OK 15 100 - 15 - HG3 LYS 44 + HG2 GLU 37 OK 15 76 - 20 - 4645/4775=2, 4638/4775=2...(9) HG13 ILE 35 + HG2 GLU 37 OK 13 60 - 22 - 3.0/2185=4, 4.5/158=2...(7) HD2 LYS 68 + HG2 GLU 37 OK 12 71 - 16 - ~4852=2, ~4851=1...(6) HD3 LYS 68 + HG2 GLU 37 OK 11 68 - 16 - ~4852=2, ~4778=1...(6) HG2 LYS 14 - HG2 GLU 37 lone 6 100 - 6 - HG2 ARG 45 - HG2 GLU 37 lone 6 63 - 9 - ~2180=1, ~2174=1 QG2 THR 83 - HG2 GLU 37 lone 4 96 - 4 - Peak 4786 from cnoeabs.peaks (3.71, 4.19, 71.53 ppm; 5.56 A): 1 out of 2 assignments used, quality = 0.61: HA2 GLY 39 + HB THR 38 OK 61 99 - 62 - 3.0/180=30, ~3936=20...(4) HA LYS 65 - HB THR 38 poor 7 68 - 10 - 690/4.4=2, 3.7/4787=2, ~5453=1 Peak 4787 from cnoeabs.peaks (1.44, 4.19, 71.53 ppm; 5.85 A): 5 out of 10 assignments used, quality = 0.71: HB3 LEU 34 + HB THR 38 OK 41 81 - 51 - 4783/3.8=9, ~4674=8...(13) HG2 ARG 27 + HB THR 38 OK 25 71 - 35 - 4783/3.8=6, ~1791=4...(12) HG LEU 12 + HB THR 38 OK 17 81 - 20 - ~4276=4, ~1195=3...(8) HD2 LYS 44 + HB THR 38 OK 12 78 - 15 - 4802/3.8=10, 4802/2198=1 HB3 LEU 76 + HB THR 38 OK 11 83 - 14 - ~6206=5, ~6207=4, ~4280=2 HB3 ARG 45 - HB THR 38 poor 10 97 - 10 - 4783/3.8=4, ~4789=4 HG2 LYS 65 - HB THR 38 lone 9 100 - 8 - 3.7/4786=4 HB3 LYS 64 - HB THR 38 lone 7 100 - 7 - ~5423=2, 4783/3.8=2, ~5417=1 HD2 LYS 64 - HB THR 38 lone 4 95 - 4 - HG3 LYS 78 - HB THR 38 lone 3 93 - 3 - Peak 4788 from cnoeabs.peaks (2.94, 1.08, 21.24 ppm; 4.83 A): 0 out of 18 assignments used, low quality = 0.22: HE2 LYS 31 - QG2 THR 38 OK 12 73 - 16 - 7.0/2202=3, 5.3/4317=3...(8) HE3 LYS 31 - QG2 THR 38 OK 11 71 - 16 - 7.0/2202=3, 5.3/4317=3...(8) HD3 ARG 45 - QG2 THR 38 lone 4 97 - 5 - 3.6/4789=3 HD2 ARG 45 - QG2 THR 38 lone 4 97 - 5 - 3.6/4789=3 HB2 ASN 24 - QG2 THR 38 lone 4 78 - 5 - HD3 ARG 45 - QG2 THR 13 lone 4 59 - 6 - HD2 ARG 45 - QG2 THR 13 lone 4 59 - 6 - HB3 HIS 15 - QG2 THR 38 lone 3 83 - 3 - 4.0/4299=1 HB3 HIS 15 - QG2 THR 13 lone 2 46 - 5 - 4.0/4299=2, 4291/4316=1 HB2 ASN 63 - QG2 THR 38 lone 2 57 - 4 - HB2 ASN 63 - QG2 THR 13 lone 2 30 - 7 - 4.0/5394=3, 3.5/5402=1 HE2 LYS 91 - QG2 THR 38 lone 2 81 - 2 - HE3 LYS 91 - QG2 THR 38 lone 2 81 - 2 - HE3 LYS 91 - QG2 THR 13 lone 2 45 - 3 - ~4284=1 HE2 LYS 91 - QG2 THR 13 lone 2 45 - 3 - ~4284=1 HB2 ASN 24 - QG2 THR 13 lone 1 43 - 3 - HE2 LYS 31 - QG2 THR 13 lone 1 40 - 2 - HE3 LYS 31 - QG2 THR 13 lone 1 38 - 2 - Peak 4789 from cnoeabs.peaks (1.50, 1.08, 21.24 ppm; 4.15 A): 7 out of 26 assignments used, quality = 0.80: HG LEU 34 + QG2 THR 38 OK 35 95 - 37 - 2094=5, 176/4.0=5...(13) HB2 LYS 56 + QG2 THR 38 OK 26 100 - 25 - 2623=5, 1.8/2633=3...(10) HG3 ARG 27 + QG2 THR 38 OK 19 90 - 21 - 176/4.0=3, ~4787=3...(9) HG2 GLU 37 + QG2 THR 38 OK 18 100 - 18 - 3934/4.0=9, 4.9/4780=4...(4) HB2 ARG 45 + QG2 THR 38 OK 18 99 - 18 - 6180/4.0=12, 3.6/4788=2...(4) HD2 LYS 17 + QG2 THR 13 OK 12 62 - 19 - 6.1/4316=5, 3.7/4317=4...(4) HD3 LYS 17 + QG2 THR 13 OK 12 62 - 19 - 6.1/4316=5, 3.7/4317=4...(4) HD3 LYS 17 - QG2 THR 38 lone 9 99 - 9 - 6.1/4316=1, 3.7/4317=1 HD2 LYS 17 - QG2 THR 38 lone 9 99 - 9 - 6.1/4316=1, 3.7/4317=1 QB ALA 72 - QG2 THR 38 lone 7 98 - 7 - HB2 ARG 45 - QG2 THR 13 lone 5 62 - 8 - 6021/3.2=1, 3.6/4788=1 QB ALA 71 - QG2 THR 38 lone 4 87 - 5 - HB3 LYS 26 - QG2 THR 38 lone 4 90 - 5 - QB ALA 72 - QG2 THR 13 lone 4 60 - 7 - HB3 LYS 26 - QG2 THR 13 lone 4 52 - 8 - 2.9/1248=1, ~6152=1 HD3 LYS 64 - QG2 THR 38 lone 4 78 - 5 - HG2 GLU 37 - QG2 THR 13 lone 3 64 - 5 - 4.9/4780=2 HB2 LYS 56 - QG2 THR 13 lone 3 64 - 5 - HB2 LEU 85 - QG2 THR 38 lone 3 97 - 3 - HG LEU 79 - QG2 THR 13 lone 2 35 - 7 - ~6152=1 HG LEU 79 - QG2 THR 38 lone 2 65 - 4 - QB ALA 71 - QG2 THR 13 lone 2 49 - 5 - HB2 LEU 85 - QG2 THR 13 lone 2 58 - 4 - HG LEU 34 - QG2 THR 13 lone 2 56 - 4 - HG3 ARG 27 - QG2 THR 13 lone 1 52 - 3 - HD3 LYS 64 - QG2 THR 13 lone 1 43 - 3 - Peak 4792 from cnoeabs.peaks (7.09, 2.44, 39.92 ppm; 5.90 A): 2 out of 3 assignments used, quality = 0.72: HD2 HIS 42 + HB3 ASP 43 OK 69 100 - 69 - 4628=44, 4629/1.8=37...(4) H MET 21 + HB3 ASP 43 OK 10 63 - 16 - 59/4.2=3, 3.0/1511=3...(7) HD22 ASN 18 - HB3 ASP 43 lone 5 60 - 8 - 6065/4.2=2, 4331=1 Peak 4795 from cnoeabs.peaks (3.71, 4.34, 55.12 ppm; 4.52 A): 2 out of 4 assignments used, quality = 0.55: HA2 GLY 39 + HA LYS 44 OK 46 100 - 46 - 6064=36, 3.0/4804=8, 3.5/4804=7 HA LYS 65 + HA LYS 44 OK 17 78 - 21 - 4793/3.0=3, 4178/4.8=2...(10) HA LYS 65 - HA MET 11 poor 7 47 - 16 - 2907/3.6=6, 2.9/3791=2, ~951=2 HA2 GLY 39 - HA MET 11 lone 2 69 - 2 - Peak 4796 from cnoeabs.peaks (7.33, 1.54, 32.30 ppm; 4.65 A): 3 out of 4 assignments used, quality = 0.93: QE PHE 46 + HB3 LYS 44 OK 70 97 - 73 - 4638/2.9=13, ~4645=13...(16) HZ PHE 46 + HB3 LYS 44 OK 65 96 - 68 - 4645/2.9=18, 4800/3.7=11...(14) QD TYR 70 + HB3 LYS 44 OK 37 100 - 36 - 4797/2.9=6, 4799/3.7=5...(12) H ALA 75 - HB3 LYS 44 lone 4 63 - 6 - Peak 4797 from cnoeabs.peaks (7.34, 1.37, 23.90 ppm; 5.20 A): 3 out of 5 assignments used, quality = 0.99: QE PHE 46 + HG2 LYS 44 OK 91 100 - 91 - ~4645=19, 4638/1.8=18...(24) HZ PHE 46 + HG2 LYS 44 OK 69 83 - 84 - 4645/1.8=22, 4800/3.0=14...(17) QD TYR 70 + HG2 LYS 44 OK 48 97 - 49 - 4796/2.9=8, 4799/3.0=7...(16) H ALA 75 - HG2 LYS 44 lone 6 83 - 7 - H GLU 25 - HG2 LYS 44 lone 3 73 - 4 - Peak 4798 from cnoeabs.peaks (7.33, 1.18, 23.90 ppm; 4.20 A): 3 out of 9 assignments used, quality = 0.95: QE PHE 46 + HG3 LYS 44 OK 75 95 - 79 - 2.2/4645=17, 4638=15...(21) HZ PHE 46 + HG3 LYS 44 OK 72 97 - 74 - 4645=19, 2.2/4638=12...(18) QD TYR 70 + HG3 LYS 44 OK 31 100 - 31 - 4796/2.9=6, 4797/1.8=5...(9) QE PHE 46 - HG3 LYS 26 OK 21 53 - 39 - 4638=7, 2.2/4645=5...(14) HZ PHE 46 - HG3 LYS 26 OK 15 56 - 26 - 2.2/4638=6, 4645=5...(8) QD TYR 70 - HG2 LYS 14 OK 12 72 - 16 - 4696/1.8=4, ~4687=3...(6) QD TYR 70 - HG3 LYS 26 OK 12 61 - 19 - 4699/1.8=4, ~4690=3...(7) QE PHE 46 - HG2 LYS 14 lone 5 64 - 7 - 4638=2, 2.2/4645=1, 2.2/4634=1 HZ PHE 46 - HG2 LYS 14 lone 4 67 - 6 - 4645=2, 2.2/4638=1 Peak 4799 from cnoeabs.peaks (7.33, 1.42, 27.58 ppm; 4.84 A): 3 out of 5 assignments used, quality = 0.96: QE PHE 46 + HD2 LYS 44 OK 80 99 - 81 - 4800/1.8=16, 4638/3.0=14...(17) HZ PHE 46 + HD2 LYS 44 OK 71 92 - 77 - 4645/3.0=19, 4800/1.8=16...(14) QD TYR 70 + HD2 LYS 44 OK 35 100 - 35 - 4800/1.8=7, 4797/3.0=7...(10) H ALA 75 - HD2 LYS 44 lone 4 71 - 5 - H GLU 25 - HD2 LYS 44 lone 3 60 - 4 - Peak 4800 from cnoeabs.peaks (7.33, 1.29, 27.58 ppm; 4.50 A): 3 out of 6 assignments used, quality = 0.94: QE PHE 46 + HD3 LYS 44 OK 72 95 - 76 - 4799/1.8=14, 2.2/4644=14...(16) HZ PHE 46 + HD3 LYS 44 OK 72 97 - 74 - 4644=18, 4645/3.0=17...(14) QD TYR 70 + HD3 LYS 44 OK 31 100 - 30 - 4799/1.8=6, 4796/3.7=6...(8) QE PHE 46 - HG3 ARG 45 poor 7 41 - 17 - ~4645=4, 4638/1.8=3...(4) HZ PHE 46 - HG3 ARG 45 poor 7 44 - 16 - 4645/1.8=5, 4644=3...(4) QD TYR 70 - HG3 ARG 45 lone 3 47 - 6 - Peak 4801 from cnoeabs.peaks (8.50, 1.29, 27.58 ppm; 5.76 A): 4 out of 6 assignments used, quality = 0.77: H LYS 31 + HD3 LYS 44 OK 59 98 - 60 - 4802/1.8=24, 3.9/1933=8...(14) H THR 38 + HD3 LYS 44 OK 28 76 - 36 - 4802/1.8=15, 4784/4.8=9...(8) H LYS 31 + HG3 ARG 45 OK 13 44 - 28 - 6180/2.9=7, 3.9/1933=3...(11) H THR 38 + HG3 ARG 45 OK 12 30 - 39 - 6180/2.9=23, 4784/3.7=8...(4) H GLY 61 - HD3 LYS 44 lone 6 57 - 10 - 5371/3.0=1, ~5380=1...(4) H GLY 61 - HG3 ARG 45 poor 2 21 - 10 - 3.6/2777=3, 4.6/787=2 Peak 4802 from cnoeabs.peaks (8.49, 1.42, 27.58 ppm; 5.67 A): 2 out of 2 assignments used, quality = 0.74: H LYS 31 + HD2 LYS 44 OK 58 100 - 58 - 4801/1.8=18, 643=8...(14) H THR 38 + HD2 LYS 44 OK 38 96 - 40 - 4784/4.8=11, 4801/1.8=9...(11) Peak 4804 from cnoeabs.peaks (8.36, 4.34, 55.12 ppm; 4.72 A): 3 out of 14 assignments used, quality = 0.64: H GLY 39 + HA LYS 44 OK 35 96 - 37 - 3.0/6064=29, 4.6/4784=9 H GLY 40 + HA LYS 44 OK 34 96 - 36 - 3.5/6064=26, 4791/3.0=8, ~4793=3 H ASN 90 + HA LYS 44 OK 16 95 - 17 - ~6081=6, 4.0/2255=5...(4) H ARG 28 - HA LYS 44 poor 10 95 - 10 - 5.0/2252=2, 110/4.8=2 H LEU 23 - HA LYS 44 lone 4 83 - 5 - 4486/3.0=2 H ALA 72 - HA LYS 44 lone 4 90 - 5 - H ARG 28 - HA MET 11 lone 4 61 - 6 - ~4568=1 H TYR 70 - HA LYS 44 lone 3 60 - 6 - 330/3.8=1 H GLY 39 - HA MET 11 lone 3 62 - 5 - 4.6/4784=2 H ALA 72 - HA MET 11 lone 3 57 - 5 - 337/3.0=1 H ASN 90 - HA MET 11 lone 3 61 - 4 - 425/3.0=1 H TYR 70 - HA MET 11 lone 3 34 - 7 - 4252/5.3=2, 1002/3.0=1 H GLY 40 - HA MET 11 lone 2 62 - 3 - H LEU 23 - HA MET 11 lone 1 50 - 2 - Peak 4805 from cnoeabs.peaks (4.63, 7.02, 131.23 ppm; 5.47 A): 4 out of 10 assignments used, quality = 0.92: HA ASN 63 + QD PHE 46 OK 80 99 - 81 - 5406=35, 2.9/5403=30...(8) HA ASP 82 + QD PHE 46 OK 27 96 - 28 - ~6194=6, 3.0/2385=5...(8) HA ASP 43 + QD PHE 46 OK 25 75 - 33 - 3.0/2385=7, 4631/2.2=5...(9) HA ASN 24 + QD PHE 46 OK 24 100 - 24 - 4631/2.2=6, 4632/3.8=4...(7) HA PHE 57 - QD PHE 46 OK 18 72 - 24 - 3.6/4646=8, 4000/4.8=4...(6) HA GLU 33 - QD PHE 46 OK 16 99 - 17 - 4631/2.2=3, 4891/4923=3...(6) HA LEU 12 - QD PHE 46 OK 14 80 - 18 - 4.0/4256=6, 4631/2.2=2...(7) HA ARG 27 - QD PHE 46 OK 12 96 - 12 - 4.1/4541=3, 4631/2.2=2...(4) HA THR 38 - QD PHE 46 lone 8 89 - 8 - 2197/4686=2, 3.2/4635=1 HA HIS 42 - QD PHE 46 lone 5 99 - 5 - Peak 4806 from cnoeabs.peaks (8.49, 5.16, 56.57 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.71: H THR 38 + HA PHE 46 OK 71 97 - 73 - 6058=49, 3.6/6055=37...(4) H LYS 31 - HA PHE 46 lone 5 100 - 5 - 3931/6055=3 Peak 4808 from cnoeabs.peaks (9.01, 2.59, 41.46 ppm; 4.86 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4809 from cnoeabs.peaks (1.84, 7.02, 131.23 ppm; 5.95 A): 4 out of 12 assignments used, quality = 0.95: HB2 GLU 37 + QD PHE 46 OK 57 80 - 72 - ~6056=30, 4818/3.7=17...(13) HB2 LYS 44 + QD PHE 46 OK 56 77 - 73 - ~4796=16, ~4638=13...(15) HB VAL 66 + QD PHE 46 OK 51 99 - 51 - 5474=12, 2.1/5968=11...(10) HB3 GLU 37 + QD PHE 46 OK 48 70 - 69 - ~6056=30, 5474=12...(15) HG LEU 76 - QD PHE 46 OK 32 59 - 53 - 2.1/5787=16, 3.6/5774=12...(9) HB2 GLU 22 - QD PHE 46 OK 13 99 - 13 - ~4163=2, 4452/5787=1...(5) HB2 GLU 49 - QD PHE 46 OK 12 97 - 13 - 4818/3.7=2, 4680/4690=2 HB3 GLU 33 - QD PHE 46 OK 11 77 - 14 - 3.0/4630=3, ~4631=2...(4) HB3 PRO 84 - QD PHE 46 lone 6 86 - 7 - 4680/4690=1, 4678/4686=1 HG3 GLU 51 - QD PHE 46 lone 5 62 - 8 - ~4637=1, 5083/4686=1, 4637/2.2=1 HG2 PRO 81 - QD PHE 46 lone 5 72 - 7 - 5914/3423=2 HG2 GLU 51 - QD PHE 46 lone 5 59 - 8 - ~4637=1, 5083/4686=1, 4637/2.2=1 Peak 4810 from cnoeabs.peaks (1.50, 7.02, 131.23 ppm; 5.40 A): 3 out of 13 assignments used, quality = 0.97: HG LEU 34 + QD PHE 46 OK 81 94 - 87 - 2.1/4686=35, 2.1/4690=32...(11) HD3 LYS 64 + QD PHE 46 OK 70 77 - 91 - 2.9/4734=30, 2.9/5443=22...(21) HG2 GLU 37 + QD PHE 46 OK 53 100 - 53 - 4775/2.2=13, 3.0/4633=11...(10) HB3 LYS 26 - QD PHE 46 OK 45 89 - 50 - 4516=11, 1.8/4514=11...(12) HB2 LYS 56 - QD PHE 46 OK 30 100 - 30 - 2.9/4635=6, 2623/4686=5...(10) QB ALA 71 - QD PHE 46 OK 23 86 - 27 - ~336=6, ~4214=5...(9) QB ALA 72 - QD PHE 46 OK 22 97 - 22 - 5695/2.2=5, ~4216=4...(6) HD3 LYS 17 - QD PHE 46 OK 18 99 - 18 - 3.0/4690=5, ~4689=2...(5) HD2 LYS 17 - QD PHE 46 OK 18 99 - 18 - 3.0/4690=5, ~4689=2...(5) HB2 ARG 45 - QD PHE 46 OK 15 99 - 15 - ~4638=3, 6016/5445=2...(6) HG LEU 79 - QD PHE 46 OK 14 65 - 22 - 3.0/5857=7, 3.0/5862=6...(4) HG3 ARG 27 - QD PHE 46 OK 14 89 - 15 - 1.8/4541=4, 4.1/4805=1 HB2 LEU 85 - QD PHE 46 lone 5 96 - 5 - Peak 4811 from cnoeabs.peaks (1.22, 7.02, 131.23 ppm; 4.22 A): 3 out of 8 assignments used, quality = 0.95: QD1 LEU 34 + QD PHE 46 OK 89 100 - 90 - 4690=32, 2.1/4686=27...(16) HG3 LYS 26 + QD PHE 46 OK 32 96 - 33 - 2.9/4514=6, 2.9/4516=5...(11) HD2 LYS 68 + QD PHE 46 OK 27 97 - 28 - 4822/2.4=4, ~4822=3...(12) HD3 LYS 68 - QD PHE 46 OK 27 97 - 28 - 4822/2.4=4, ~4822=3...(12) HG2 LYS 17 - QD PHE 46 OK 20 77 - 25 - 4690=5, 4691/3.7=4...(10) HG13 ILE 35 - QD PHE 46 poor 10 94 - 11 - 4823/4.8=3, 2102/4686=2...(4) HG2 LYS 14 - QD PHE 46 lone 7 91 - 7 - QG2 THR 83 - QD PHE 46 lone 4 99 - 4 - Peak 4817 from cnoeabs.peaks (1.92, 5.16, 56.57 ppm; 4.83 A): 4 out of 11 assignments used, quality = 0.77: HB VAL 47 + HA PHE 46 OK 55 98 - 57 - 4.0/193=38, 2.1/4820=15...(4) QE MET 48 + HA PHE 46 OK 36 98 - 36 - 4923/3.7=11, 3.3/2366=6...(8) HB2 LEU 76 + HA PHE 46 OK 10 73 - 14 - ~6085=4, 5775/5.6=3...(4) HG3 GLU 49 + HA PHE 46 OK 10 100 - 10 - 711/3.6=3, 3.0/4818=2 HB2 GLU 33 - HA PHE 46 lone 8 81 - 10 - 711/3.6=2, 1.8/4818=2 HG3 PRO 81 - HA PHE 46 lone 5 100 - 5 - 711/3.6=3 HB3 GLU 22 - HA PHE 46 lone 4 81 - 4 - 1.8/4818=1 HB VAL 20 - HA PHE 46 lone 3 90 - 4 - HG3 PRO 84 - HA PHE 46 lone 3 65 - 4 - HD2 LYS 78 - HA PHE 46 lone 2 100 - 2 - HB2 MET 11 - HA PHE 46 lone 1 63 - 2 - Peak 4818 from cnoeabs.peaks (1.83, 5.16, 56.57 ppm; 4.92 A): 4 out of 10 assignments used, quality = 0.82: HB2 GLU 37 + HA PHE 46 OK 67 92 - 73 - 3.0/6055=44, 4.4/6058=30...(6) HB2 LYS 44 + HA PHE 46 OK 26 90 - 28 - 4633/3.7=9, 2.9/4819=5...(7) HB VAL 66 + HA PHE 46 OK 15 96 - 16 - 5474/3.7=7, 5473/5.6=2...(4) HG LEU 76 + HA PHE 46 OK 14 76 - 18 - 4633/3.7=5, ~6085=5...(4) HB2 GLU 49 - HA PHE 46 poor 10 92 - 11 - 3.0/4817=3, 4680/4691=2 HB3 GLU 33 - HA PHE 46 lone 7 90 - 8 - 1.8/4817=2, 4633/3.7=2 HB2 GLU 22 - HA PHE 46 lone 5 96 - 6 - 1.8/4817=1, 4633/3.7=1 HB3 PRO 84 - HA PHE 46 lone 4 73 - 5 - HG3 GLU 51 - HA PHE 46 lone 3 78 - 4 - HG2 GLU 51 - HA PHE 46 lone 3 76 - 4 - Peak 4819 from cnoeabs.peaks (1.20, 5.16, 56.57 ppm; 4.10 A): 5 out of 9 assignments used, quality = 0.87: QD1 LEU 34 + HA PHE 46 OK 70 90 - 78 - 4691=39, 4690/3.7=19...(11) HG3 LYS 44 + HA PHE 46 OK 21 76 - 28 - 4638/5.6=5, 4634/3.7=5...(8) HD2 LYS 68 + HA PHE 46 OK 18 71 - 25 - 3.0/4820=5, 4822/3.0=4...(8) HD3 LYS 68 + HA PHE 46 OK 17 68 - 25 - 3.0/4820=5, 4822/3.0=3...(8) HG3 LYS 26 + HA PHE 46 OK 17 100 - 17 - 4634/3.7=4, 4822/3.0=4...(5) HG13 ILE 35 - HA PHE 46 poor 8 60 - 14 - 4823/3.6=5, 3.2/4820=4 HG2 LYS 14 - HA PHE 46 lone 6 100 - 6 - 4823/3.6=1 QG2 THR 83 - HA PHE 46 lone 3 96 - 3 - HG2 ARG 45 - HA PHE 46 lone 3 63 - 5 - 4638/5.6=1, 4645/7.2=1 Peak 4820 from cnoeabs.peaks (0.82, 5.16, 56.57 ppm; 4.30 A): 4 out of 7 assignments used, quality = 0.75: QG1 VAL 47 + HA PHE 46 OK 43 100 - 43 - 3.9/193=32, 2.1/4817=12 QG2 VAL 47 + HA PHE 46 OK 33 78 - 43 - 3.9/193=32, 2.1/4817=12 HG3 LYS 68 + HA PHE 46 OK 21 90 - 24 - 3.0/4819=4, 3.0/4819=3...(9) QG2 ILE 35 + HA PHE 46 OK 16 100 - 16 - 4711/3.6=9, 2129/4691=2...(4) QD2 LEU 73 - HA PHE 46 lone 5 81 - 6 - 5707/5.6=3, 5707/7.2=1 QD2 LEU 85 - HA PHE 46 lone 1 87 - 2 - QD2 LEU 87 - HA PHE 46 lone 1 71 - 1 - Peak 4821 from cnoeabs.peaks (1.36, 2.59, 41.46 ppm; 4.05 A): 4 out of 11 assignments used, quality = 0.92: HB2 LYS 64 + HB2 PHE 46 OK 70 100 - 70 - ~6082=14, 3.0/6083=14...(14) QB ALA 67 + HB2 PHE 46 OK 47 93 - 50 - 5488/2.4=17, 5504/1.8=13...(9) HG2 LYS 44 + HB2 PHE 46 OK 31 95 - 32 - 4797/4.4=6, ~4634=5...(11) HG2 LYS 68 + HB2 PHE 46 OK 25 97 - 26 - 3.0/4822=3, 3.0/4822=3...(11) HB3 LYS 56 - HB2 PHE 46 poor 9 81 - 11 - ~4635=2, ~5968=2...(6) HB3 LEU 12 - HB2 PHE 46 lone 7 85 - 8 - ~4256=2 QB ALA 89 - HB2 PHE 46 lone 2 100 - 2 - HG2 LYS 91 - HB2 PHE 46 lone 2 99 - 2 - HG3 LYS 91 - HB2 PHE 46 lone 2 99 - 2 - QB ALA 86 - HB2 PHE 46 lone 1 90 - 2 - QB ALA 69 - HB2 PHE 46 lone 1 63 - 2 - Peak 4822 from cnoeabs.peaks (1.21, 2.59, 41.46 ppm; 4.30 A): 4 out of 8 assignments used, quality = 0.94: QD1 LEU 34 + HB2 PHE 46 OK 85 97 - 89 - 4691/3.0=28, 4690/2.4=28...(16) HG3 LYS 26 + HB2 PHE 46 OK 29 100 - 29 - 4634/2.4=6, ~4514=4...(10) HG3 LYS 44 + HB2 PHE 46 OK 27 63 - 43 - 4638/4.4=8, 4634/2.4=8...(12) HD2 LYS 68 + HB2 PHE 46 OK 27 83 - 32 - 3.0/4821=4, 4811/2.4=4...(14) HD3 LYS 68 - HB2 PHE 46 OK 26 81 - 32 - 3.0/4821=4, 4811/2.4=4...(14) HG13 ILE 35 - HB2 PHE 46 poor 8 73 - 11 - 4823/4.2=4, ~4820=2...(4) HG2 LYS 14 - HB2 PHE 46 lone 6 100 - 6 - 4634/2.4=1, 4819/3.0=1 QG2 THR 83 - HB2 PHE 46 lone 5 99 - 5 - 3.9/396=1 Peak 4829 from cnoeabs.peaks (1.32, 5.04, 61.28 ppm; 4.23 A): 3 out of 8 assignments used, quality = 0.91: QB ALA 60 + HA VAL 47 OK 86 92 - 94 - 2.1/5981=42, 5350=36...(15) HG3 ARG 45 + HA VAL 47 OK 20 99 - 21 - ~4840=6, 6167/3.2=4...(6) HB2 LYS 26 + HA VAL 47 OK 20 90 - 22 - ~4840=3, 1684/3.2=3...(13) HB VAL 50 - HA VAL 47 lone 9 100 - 9 - 5006/3.2=3, 5316/5335=1 QB ALA 86 - HA VAL 47 lone 3 90 - 4 - HG3 LYS 31 - HA VAL 47 lone 2 71 - 2 - HG3 LYS 91 - HA VAL 47 lone 1 68 - 2 - HG2 LYS 91 - HA VAL 47 lone 1 68 - 2 - Peak 4830 from cnoeabs.peaks (2.36, 5.04, 61.28 ppm; 4.69 A): 2 out of 2 assignments used, quality = 0.80: HG3 MET 48 + HA VAL 47 OK 60 85 - 70 - 719/3.5=30, 2414/4.8=18...(18) HG2 GLN 58 + HA VAL 47 OK 50 76 - 65 - 2753/3.0=11, ~6192=9...(17) Peak 4831 from cnoeabs.peaks (3.75, 1.93, 33.48 ppm; 4.51 A): 2 out of 3 assignments used, quality = 0.90: HB2 SER 36 + HB VAL 47 OK 88 100 - 88 - 1.8/4832=40, 4833/2.1=24...(11) HA LYS 65 + HB VAL 47 OK 15 89 - 17 - 4836/2.1=4, 4833/2.1=3...(5) HA2 GLY 40 - HB VAL 47 lone 7 95 - 7 - 4826/4.0=1, 4836/2.1=1 Peak 4832 from cnoeabs.peaks (3.57, 1.93, 33.48 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.84: HB3 SER 36 + HB VAL 47 OK 84 100 - 84 - 1.8/4831=24, 4761=24...(12) HD3 ARG 27 - HB VAL 47 poor 10 90 - 11 - 4834/2.1=3, 4825/4.0=2...(5) Peak 4833 from cnoeabs.peaks (3.75, 0.84, 20.61 ppm; 3.84 A): 2 out of 6 assignments used, quality = 0.89: HB2 SER 36 + QG2 VAL 47 OK 81 100 - 81 - 1.8/4834=25, 4831/2.1=21...(13) HB2 SER 36 + QG1 VAL 47 OK 43 55 - 79 - 4831/2.1=21, ~4832=20...(13) HA LYS 65 - QG2 VAL 47 poor 10 96 - 10 - 4831/2.1=4, 4826/3.9=2 HA LYS 65 - QG1 VAL 47 lone 5 50 - 10 - 4831/2.1=4, 4826/3.9=2 HA2 GLY 40 - QG2 VAL 47 lone 4 87 - 4 - 4831/2.1=2, 4826/3.9=1 HA2 GLY 40 - QG1 VAL 47 lone 2 43 - 4 - 4831/2.1=2, 4826/3.9=1 Peak 4834 from cnoeabs.peaks (3.57, 0.84, 20.61 ppm; 3.43 A): 2 out of 4 assignments used, quality = 0.87: HB3 SER 36 + QG2 VAL 47 OK 78 100 - 78 - 4832/2.1=24, 1.8/4833=17...(14) HB3 SER 36 + QG1 VAL 47 OK 42 56 - 75 - 4832/2.1=24, 4765=15...(14) HD3 ARG 27 - QG2 VAL 47 lone 8 90 - 8 - 4832/2.1=3, 4825/3.9=2 HD3 ARG 27 - QG1 VAL 47 lone 3 45 - 7 - 4832/2.1=3, 4825/3.9=2 Peak 4835 from cnoeabs.peaks (1.30, 0.84, 20.61 ppm; 2.76 A): 5 out of 16 assignments used, quality = 0.86: QB ALA 60 + QG2 VAL 47 OK 66 99 - 66 - 5369=20, 5350/3.2=12...(16) QB ALA 60 + QG1 VAL 47 OK 35 54 - 64 - 5369=18, 5369/2.1=12...(17) HB2 LYS 26 + QG2 VAL 47 OK 16 99 - 16 - 2.9/4840=4, 1684=1...(5) HG3 ARG 45 + QG2 VAL 47 OK 15 92 - 17 - 1.8/4840=6, 3.0/6011=2...(6) HB3 LYS 68 + QG2 VAL 47 OK 14 97 - 14 - 3048/2.1=2, 5546/2.1=1, ~3038=1 HB2 LYS 26 - QG1 VAL 47 poor 7 54 - 13 - ~4840=2, 1684/2.1=1, 2.9/4840=1 HG3 ARG 45 - QG1 VAL 47 poor 7 46 - 15 - ~4840=3, 1.8/4840=3...(7) HB3 LYS 68 - QG1 VAL 47 poor 6 52 - 12 - 5546/2.1=1 HD3 LYS 44 - QG2 VAL 47 lone 5 96 - 5 - 3.0/4840=2 HB VAL 50 - QG2 VAL 47 lone 3 78 - 3 - HD3 LYS 44 - QG1 VAL 47 lone 2 50 - 4 - HG3 LYS 31 - QG2 VAL 47 lone 2 100 - 2 - HG3 LYS 56 - QG2 VAL 47 lone 1 76 - 1 - HB VAL 50 - QG1 VAL 47 lone 1 37 - 3 - HG3 LYS 31 - QG1 VAL 47 lone 1 56 - 1 - HG3 LYS 56 - QG1 VAL 47 lone 1 36 - 1 - Peak 4836 from cnoeabs.peaks (3.75, 0.82, 20.93 ppm; 4.68 A): 2 out of 6 assignments used, quality = 0.95: HB2 SER 36 + QG1 VAL 47 OK 91 100 - 91 - 4831/2.1=31, ~4832=29...(14) HB2 SER 36 + QG2 VAL 47 OK 48 55 - 88 - 4831/2.1=31, ~4832=29...(14) HA LYS 65 - QG1 VAL 47 OK 18 96 - 18 - 4831/2.1=5, 4826/3.9=3...(4) HA LYS 65 - QG2 VAL 47 poor 7 50 - 13 - 4831/2.1=5, 4826/3.9=3 HA2 GLY 40 - QG1 VAL 47 lone 6 87 - 7 - 4831/2.1=2, 4826/3.9=2 HA2 GLY 40 - QG2 VAL 47 lone 3 43 - 6 - 4831/2.1=2, 4826/3.9=2 Peak 4837 from cnoeabs.peaks (0.64, 0.82, 20.93 ppm; 3.65 A): 3 out of 4 assignments used, quality = 0.87: QD1 ILE 35 + QG1 VAL 47 OK 77 97 - 80 - ~4838=13, 2148=12...(38) QD1 ILE 35 + QG2 VAL 47 OK 37 51 - 74 - ~4838=13, 2148/2.1=11...(31) QD2 LEU 12 + QG1 VAL 47 OK 12 78 - 15 - 5280/6193=2, 674/5979=1...(4) QD2 LEU 12 - QG2 VAL 47 poor 4 37 - 11 - Peak 4838 from cnoeabs.peaks (1.14, 1.93, 33.48 ppm; 4.84 A): 2 out of 2 assignments used, quality = 0.84: HG12 ILE 35 + HB VAL 47 OK 82 99 - 83 - 4.5/5977=22, ~4837=20...(21) QG1 VAL 66 + HB VAL 47 OK 11 85 - 13 - 4841/2.1=3, 165/5970=2...(5) Peak 4839 from cnoeabs.peaks (1.22, 1.93, 33.48 ppm; 4.88 A): 4 out of 9 assignments used, quality = 0.99: HG13 ILE 35 + HB VAL 47 OK 88 99 - 89 - 1.8/4838=36, 4.5/5977=23...(20) QD1 LEU 34 + HB VAL 47 OK 61 99 - 61 - 4687/4.0=23...(16) HD2 LYS 68 + HB VAL 47 OK 54 100 - 54 - 6037/2.1=5, 3.0/5551=5...(25) HD3 LYS 68 + HB VAL 47 OK 54 100 - 54 - 6037/2.1=5, 3.0/5551=5...(25) HG3 LYS 26 - HB VAL 47 OK 29 89 - 33 - 6037/2.1=3, 4823/4.0=3...(12) HG2 LYS 17 - HB VAL 47 OK 19 90 - 21 - 4687/4.0=4, 3921/5977=3...(5) QG2 THR 83 - HB VAL 47 OK 11 97 - 11 - ~5936=1 HG2 LYS 14 - HB VAL 47 poor 9 81 - 11 - ~4841=3, 4823/4.0=1, 1714/2.1=1 HB2 LEU 79 - HB VAL 47 poor 9 60 - 15 - ~5875=5, 5876/3.0=4...(4) Peak 4840 from cnoeabs.peaks (1.18, 0.84, 20.61 ppm; 3.50 A): 0 out of 8 assignments used, low quality = 0.32: HG2 ARG 45 - QG2 VAL 47 OK 19 99 - 20 - 3.0/6011=4, 3.0/6011=4...(7) HG3 LYS 26 - QG2 VAL 47 OK 16 68 - 23 - 2.9/4835=3, 1.8/1704=2...(8) HG2 ARG 45 - QG1 VAL 47 poor 10 54 - 19 - 3.0/6011=3, 3.0/6011=3...(8) HG3 LYS 44 - QG2 VAL 47 lone 8 100 - 8 - 4.7/5971=2 HG3 LYS 26 - QG1 VAL 47 poor 6 31 - 20 - 1714/2.1=2, 2.9/4835=1...(11) HG2 LYS 14 - QG2 VAL 47 lone 6 78 - 8 - 1.8/4841=2 HG3 LYS 44 - QG1 VAL 47 lone 4 56 - 6 - HG2 LYS 14 - QG1 VAL 47 lone 2 37 - 6 - ~4841=2 Peak 4841 from cnoeabs.peaks (1.11, 0.84, 20.61 ppm; 3.82 A): 4 out of 8 assignments used, quality = 0.66: HG12 ILE 35 + QG2 VAL 47 OK 44 63 - 70 - ~4837=13, 4838/2.1=13...(21) HG12 ILE 35 + QG1 VAL 47 OK 19 28 - 68 - 4838/2.1=13, 2.1/2148=10...(21) QG2 THR 13 + QG2 VAL 47 OK 14 96 - 14 - 2.1/4279=4, 3.2/6151=3...(4) QG1 VAL 66 + QG2 VAL 47 OK 13 100 - 13 - 4838/2.1=2, 4280=2...(4) HG3 LYS 14 - QG2 VAL 47 lone 9 90 - 10 - 1.8/4840=4 QG2 THR 13 - QG1 VAL 47 poor 6 50 - 13 - 3.2/6151=3, 4280/2.1=3...(4) QG1 VAL 66 - QG1 VAL 47 poor 6 56 - 11 - 4838/2.1=2, 4280/2.1=2 HG3 LYS 14 - QG1 VAL 47 lone 3 45 - 7 - ~4840=2, 1.8/4840=1 Peak 4842 from cnoeabs.peaks (2.94, 0.84, 20.61 ppm; 4.86 A): 6 out of 24 assignments used, quality = 0.87: HD2 ARG 45 + QG2 VAL 47 OK 42 93 - 46 - 3.0/4840=12, 6011=9...(11) HD3 ARG 45 + QG2 VAL 47 OK 42 93 - 46 - 3.0/4840=12, 6011=9...(11) HB3 PHE 80 + QG2 VAL 47 OK 29 57 - 50 - ~3426=9, 3432/3.2=8...(12) HD2 ARG 45 + QG1 VAL 47 OK 21 48 - 44 - 6011/2.1=8, ~4840=8...(11) HD3 ARG 45 + QG1 VAL 47 OK 21 48 - 44 - 6011/2.1=8, ~4840=8...(11) HB3 PHE 80 + QG1 VAL 47 OK 12 26 - 47 - ~3426=9, 3432/3.2=8...(12) HE2 LYS 14 - QG2 VAL 47 lone 5 65 - 8 - 3.9/4840=3, 3.9/4841=3 HE3 LYS 14 - QG2 VAL 47 lone 4 57 - 8 - 3.9/4840=3, 3.9/4841=3 HB3 HIS 15 - QG2 VAL 47 lone 3 73 - 5 - 5367/5369=2 HB2 ASN 63 - QG2 VAL 47 lone 2 68 - 3 - HE2 LYS 31 - QG2 VAL 47 lone 2 63 - 3 - HE3 LYS 31 - QG2 VAL 47 lone 2 60 - 3 - HB2 ASN 24 - QG2 VAL 47 lone 2 87 - 2 - HB3 HIS 15 - QG1 VAL 47 lone 1 34 - 4 - 5367/5369=2 HE2 LYS 91 - QG2 VAL 47 lone 1 71 - 2 - HE3 LYS 91 - QG2 VAL 47 lone 1 71 - 2 - HE2 LYS 14 - QG1 VAL 47 lone 1 30 - 4 - 3.9/4840=1, 3.9/4841=1 HE3 LYS 14 - QG1 VAL 47 lone 1 26 - 4 - 3.9/4840=1, 3.9/4841=1 HB2 ASN 63 - QG1 VAL 47 lone 1 31 - 2 - HB2 ASN 24 - QG1 VAL 47 lone 1 43 - 2 - HE2 LYS 31 - QG1 VAL 47 lone 1 28 - 3 - HE3 LYS 31 - QG1 VAL 47 lone 1 27 - 3 - HE3 LYS 91 - QG1 VAL 47 lone 1 33 - 2 - HE2 LYS 91 - QG1 VAL 47 lone 1 33 - 2 - Peak 4846 from cnoeabs.peaks (1.51, 5.61, 52.17 ppm; 4.75 A): 3 out of 14 assignments used, quality = 0.98: HG LEU 34 + HA MET 48 OK 92 99 - 94 - 4.3/4876=34, 2.1/4692=33...(21) HG2 GLU 37 + HA MET 48 OK 55 100 - 55 - 1.8/2417=15, ~2416=8...(17) HB2 LYS 56 + HA MET 48 OK 45 99 - 46 - 1.8/4847=5, 2623/4693=4...(24) QB ALA 71 - HA MET 48 OK 44 95 - 47 - 5625/3.6=13, 5659/3.0=7...(12) HD2 LYS 17 - HA MET 48 OK 37 100 - 37 - 3.0/4692=8, 4843/3.0=2...(15) HD3 LYS 17 - HA MET 48 OK 37 100 - 37 - 3.0/4692=8, 4843/3.0=2...(15) HB3 LYS 26 - HA MET 48 OK 33 97 - 34 - 2.9/4848=4, 4898/3.0=3...(13) HD3 LYS 64 - HA MET 48 OK 28 89 - 32 - 5439/5.3=7, 4895/4.0=4...(9) HD2 LYS 56 - HA MET 48 OK 25 71 - 35 - 3.4/4847=4, 1.8/4847=3...(21) HG3 ARG 27 - HA MET 48 OK 22 97 - 23 - 4898/3.0=2, 2.9/2412=2...(10) QB ALA 72 - HA MET 48 OK 12 93 - 13 - ~4901=2, 5680/3.0=1, 4898/3.0=1 HB2 LEU 85 - HA MET 48 OK 10 99 - 10 - 4843/3.0=1 HB2 ARG 45 - HA MET 48 lone 7 100 - 7 - HB3 LEU 87 - HA MET 48 lone 4 71 - 5 - Peak 4847 from cnoeabs.peaks (1.37, 5.61, 52.17 ppm; 4.55 A): 2 out of 11 assignments used, quality = 0.97: QB ALA 67 + HA MET 48 OK 91 100 - 91 - 5493/3.0=39, 5505/4.0=31...(14) HG2 LYS 68 + HA MET 48 OK 67 100 - 67 - 5548/4.0=9, 4844/3.0=8...(19) HB3 LYS 56 - HA MET 48 OK 39 100 - 40 - 1.8/4846=4, 6183/3.6=4...(19) HB2 LYS 64 - HA MET 48 OK 34 97 - 35 - 4860/4.0=6, 4897/3.0=6...(9) HG2 LYS 44 - HA MET 48 OK 27 100 - 27 - 4.7/4905=5, 4844/3.0=2...(10) HD3 LYS 56 - HA MET 48 OK 23 83 - 28 - 3.4/4846=3, 2673/4693=3...(16) HB3 LEU 12 - HA MET 48 OK 22 100 - 22 - 3.1/4850=8, 1179/4730=4...(6) QB ALA 69 - HA MET 48 OK 16 96 - 17 - 4844/3.0=3, 4897/3.0=2...(7) HG2 LYS 91 - HA MET 48 poor 10 78 - 12 - 4897/3.0=1 HG3 LYS 91 - HA MET 48 poor 10 78 - 12 - 4897/3.0=1 QB ALA 89 - HA MET 48 lone 3 89 - 3 - Peak 4848 from cnoeabs.peaks (1.21, 5.61, 52.17 ppm; 3.81 A): 3 out of 8 assignments used, quality = 0.97: QD1 LEU 34 + HA MET 48 OK 84 97 - 87 - 4692=31, 4.0/4876=24...(21) HG13 ILE 35 + HA MET 48 OK 62 73 - 85 - 2.1/4730=25, 3.2/4708=21...(23) HD2 LYS 68 + HA MET 48 OK 43 83 - 53 - 4861/4.0=5, 3.0/4849=5...(21) HD3 LYS 68 - HA MET 48 OK 42 81 - 52 - 3.0/4849=5, 4861/4.0=5...(21) HG3 LYS 26 - HA MET 48 OK 27 100 - 27 - 4861/4.0=3, 3.9/2413=3...(11) HG3 LYS 44 - HA MET 48 OK 11 63 - 17 - 4.7/4905=3, 1.8/4847=2...(5) HG2 LYS 14 - HA MET 48 lone 6 100 - 6 - QG2 THR 83 - HA MET 48 lone 5 99 - 5 - Peak 4849 from cnoeabs.peaks (0.82, 5.61, 52.17 ppm; 4.08 A): 4 out of 7 assignments used, quality = 1.00: QG2 ILE 35 + HA MET 48 OK 92 100 - 93 - 4708=34, 4.0/4704=27...(22) QG1 VAL 47 + HA MET 48 OK 82 100 - 83 - 3956/3.0=22, ~3953=14...(30) QG2 VAL 47 + HA MET 48 OK 60 78 - 77 - 3955/3.0=17, ~3953=14...(25) HG3 LYS 68 + HA MET 48 OK 54 90 - 60 - 4853/3.0=7, 5549/4.0=7...(22) QD2 LEU 73 - HA MET 48 OK 14 81 - 17 - 3.1/2412=3, 3198/3.0=2...(7) QD2 LEU 85 - HA MET 48 lone 7 87 - 8 - QD2 LEU 87 - HA MET 48 lone 3 71 - 4 - Peak 4850 from cnoeabs.peaks (0.65, 5.61, 52.17 ppm; 5.42 A): 2 out of 2 assignments used, quality = 0.99: QD1 ILE 35 + HA MET 48 OK 99 100 - 99 - 4730=50, 2.1/4727=44...(26) QD2 LEU 12 + HA MET 48 OK 45 97 - 47 - 4956/3.6=12, 674/4704=7...(13) Peak 4851 from cnoeabs.peaks (1.37, 1.79, 35.42 ppm; 3.78 A): 3 out of 24 assignments used, quality = 0.98: QB ALA 67 + HB2 MET 48 OK 82 100 - 82 - 5505/3.0=30, 5493/4.0=22...(16) HG2 LYS 68 + HB2 MET 48 OK 72 100 - 72 - 3.9/4878=16, 5548/3.0=8...(27) HB2 LYS 64 + HB2 MET 48 OK 56 99 - 57 - ~4879=10, ~5426=10...(16) HB3 LYS 56 - HB2 MET 48 OK 27 97 - 28 - 4847/3.0=3, 5213/4.0=2...(11) QB ALA 69 - HB2 MET 48 OK 25 89 - 28 - 4.4/4878=15, ~4914=4...(8) HG2 LYS 44 - HB2 MET 48 OK 22 100 - 22 - 4847/3.0=2, 2278=2...(7) QB ALA 67 - HG3 GLU 37 OK 20 99 - 21 - 5505/2421=4, 5493/2416=3...(8) HB3 LYS 56 - HG3 GLU 37 OK 16 96 - 17 - ~4776=2, 2.9/4777=2...(4) HG2 LYS 68 - HG3 GLU 37 OK 14 99 - 14 - 3.9/4878=4, 1.8/4852=1 HD3 LYS 56 - HB2 MET 48 OK 13 71 - 19 - 3.0/4777=2, ~4898=2...(6) HB3 LEU 12 - HB2 MET 48 OK 13 99 - 14 - ~4850=3, 6183/4.7=1...(4) HG2 LYS 44 - HG3 GLU 37 OK 13 99 - 13 - ~4779=1, 2278/3.0=1 QB ALA 69 - HG3 GLU 37 OK 12 86 - 13 - 4.4/4878=3, 5574/3.0=2...(4) HG2 LYS 91 - HB2 MET 48 poor 10 89 - 11 - 3729=1 HG3 LYS 91 - HB2 MET 48 poor 10 89 - 11 - 3729=1 HD3 LYS 56 - HG3 GLU 37 poor 10 69 - 14 - ~4776=2, 3.0/4777=2 HB2 LYS 64 - HG3 GLU 37 lone 8 98 - 8 - HG2 LYS 91 - HG3 GLU 37 lone 3 86 - 4 - HG3 LYS 91 - HG3 GLU 37 lone 3 86 - 4 - HB3 LEU 12 - HG3 GLU 37 lone 3 97 - 3 - QB ALA 89 - HB2 MET 48 lone 2 96 - 2 - QB ALA 89 - HG3 GLU 37 lone 1 94 - 1 - QB ALA 86 - HG3 GLU 37 lone 1 63 - 1 - QB ALA 86 - HB2 MET 48 lone 1 65 - 1 - Peak 4852 from cnoeabs.peaks (0.81, 1.79, 35.42 ppm; 4.72 A): 3 out of 12 assignments used, quality = 0.99: HG3 LYS 68 + HB2 MET 48 OK 87 100 - 87 - 3.9/4878=25, 4868/4.0=14...(28) QG2 ILE 35 + HB2 MET 48 OK 77 90 - 85 - 4708/3.0=30, ~4705=18...(18) QG1 VAL 47 + HB2 MET 48 OK 63 93 - 67 - 3956/4.0=21, 4849/3.0=9...(16) QD1 LEU 23 - HB2 MET 48 OK 23 83 - 28 - 4857/3.0=4, 4868/4.0=3...(9) HG3 LYS 68 - HG3 GLU 37 OK 21 98 - 21 - 3.9/4878=6, 4862/2421=2...(5) QG2 ILE 35 - HG3 GLU 37 OK 18 88 - 20 - 4708/2417=4, ~2185=2...(6) QG1 VAL 47 - HG3 GLU 37 OK 17 91 - 19 - 4.3/2416=9, 5978/4911=1...(5) QD2 LEU 79 - HB2 MET 48 OK 14 76 - 18 - 4868/4.0=3, 4857/3.0=3...(5) QD1 LEU 23 - HG3 GLU 37 poor 9 80 - 11 - 4479=1 QD2 LEU 79 - HG3 GLU 37 lone 6 74 - 8 - QD2 LEU 85 - HB2 MET 48 lone 6 60 - 9 - QD2 LEU 85 - HG3 GLU 37 lone 4 58 - 6 - Peak 4853 from cnoeabs.peaks (0.81, 1.75, 35.42 ppm; 4.84 A): 3 out of 6 assignments used, quality = 0.99: HG3 LYS 68 + HB3 MET 48 OK 90 100 - 91 - 3.9/4877=29, 4868/4.0=14...(31) QG2 ILE 35 + HB3 MET 48 OK 78 90 - 87 - 4708/3.0=31, ~4705=19...(19) QG1 VAL 47 + HB3 MET 48 OK 64 93 - 69 - 3956/4.0=21, ~4830=10...(16) QD1 LEU 23 - HB3 MET 48 OK 24 83 - 29 - 4857/3.0=4, 4868/4.0=4...(11) QD2 LEU 79 - HB3 MET 48 OK 15 76 - 19 - 4868/4.0=3, 4857/3.0=3...(5) QD2 LEU 85 - HB3 MET 48 poor 7 60 - 11 - 5959/4909=1, 4955/4.7=1 Peak 4854 from cnoeabs.peaks (1.22, 1.75, 35.42 ppm; 4.85 A): 5 out of 8 assignments used, quality = 1.00: QD1 LEU 34 + HB3 MET 48 OK 90 100 - 90 - 4673/3.0=31, 4692/3.0=31...(20) HD2 LYS 68 + HB3 MET 48 OK 87 98 - 89 - 5.2/4877=22, 3.0/4853=11...(32) HD3 LYS 68 + HB3 MET 48 OK 87 97 - 89 - 5.2/4877=22, 3.0/4853=11...(32) HG13 ILE 35 + HB3 MET 48 OK 84 95 - 89 - 4727/3.0=31, ~4730=23...(19) HG3 LYS 26 + HB3 MET 48 OK 51 97 - 53 - 4861/3.0=5, 4856/3.0=5...(26) HG2 LYS 17 - HB3 MET 48 OK 33 78 - 43 - 4692/3.0=9, 4673/3.0=9...(14) HG2 LYS 14 - HB3 MET 48 OK 12 92 - 13 - 4856/3.0=1, 4861/3.0=1, ~4896=1 QG2 THR 83 - HB3 MET 48 lone 7 100 - 7 - Peak 4855 from cnoeabs.peaks (1.35, 2.53, 33.06 ppm; 3.22 A): 3 out of 11 assignments used, quality = 0.95: HG2 LYS 68 + HG2 MET 48 OK 65 90 - 71 - 3.9/4880=15, 1.8/4857=9...(29) QB ALA 67 + HG2 MET 48 OK 61 85 - 72 - 5505/1.8=25, 5504=22...(15) HB2 LYS 64 + HG2 MET 48 OK 61 97 - 63 - 3.0/4879=13, ~5426=9...(19) HB3 LYS 56 - HG2 MET 48 OK 14 68 - 20 - 4860/1.8=2, ~4867=2...(8) HG2 LYS 44 - HG2 MET 48 OK 12 87 - 14 - 4860/1.8=2, 4897/3.0=1 HB VAL 50 - HG2 MET 48 poor 10 65 - 15 - 2.1/4858=2, ~4863=2...(6) HB3 LEU 12 - HG2 MET 48 lone 7 73 - 10 - 1.8/4894=1, 4860/1.8=1 HG2 LYS 91 - HG2 MET 48 lone 7 100 - 7 - HG3 LYS 91 - HG2 MET 48 lone 7 100 - 7 - QB ALA 89 - HG2 MET 48 lone 2 100 - 2 - QB ALA 86 - HG2 MET 48 lone 1 97 - 1 - Peak 4856 from cnoeabs.peaks (1.21, 2.53, 33.06 ppm; 4.06 A): 3 out of 8 assignments used, quality = 0.99: HD2 LYS 68 + HG2 MET 48 OK 81 93 - 87 - 5.2/4880=17, 3.0/4857=11...(37) HD3 LYS 68 + HG2 MET 48 OK 79 92 - 86 - 5.2/4880=17, 3.0/4857=11...(37) QD1 LEU 34 + HG2 MET 48 OK 75 100 - 76 - 4673/1.8=30, 4692/4.0=18...(20) HG13 ILE 35 - HG2 MET 48 OK 42 87 - 49 - 4727/4.0=17, 4861/1.8=5...(14) HG3 LYS 26 - HG2 MET 48 OK 42 99 - 42 - 4861/1.8=5, 1717=5...(17) HG2 LYS 17 - HG2 MET 48 OK 23 65 - 35 - 4673/1.8=9, 4692/4.0=5...(12) HG2 LYS 14 - HG2 MET 48 OK 13 97 - 13 - 1717=2, 4861/1.8=1...(4) QG2 THR 83 - HG2 MET 48 lone 8 100 - 8 - 4.2/4888=1 Peak 4857 from cnoeabs.peaks (0.80, 2.53, 33.06 ppm; 4.12 A): 2 out of 7 assignments used, quality = 0.94: HG3 LYS 68 + HG2 MET 48 OK 89 99 - 90 - 3.9/4880=25, 4868/3.3=16...(35) QG1 VAL 47 + HG2 MET 48 OK 44 71 - 62 - 4.3/2430=20, ~4830=9...(17) QG2 ILE 35 - HG2 MET 48 OK 31 65 - 47 - 4708/4.0=14, 4853/3.0=6...(16) QD1 LEU 23 - HG2 MET 48 OK 27 98 - 28 - 4868/3.3=4, 4862/1.8=4...(10) QD2 LEU 79 - HG2 MET 48 OK 19 96 - 20 - 4868/3.3=3, 4862/1.8=2...(6) QD1 LEU 73 - HG2 MET 48 OK 19 81 - 23 - 3.1/2433=3, 4868/3.3=3...(9) QD1 LEU 30 - HG2 MET 48 lone 6 65 - 9 - 4868/3.3=2, 4611/4912=1 Peak 4858 from cnoeabs.peaks (0.70, 2.53, 33.06 ppm; 5.54 A): 3 out of 3 assignments used, quality = 0.98: HG3 LYS 64 + HG2 MET 48 OK 93 99 - 93 - ~4870=34, 4.1/4879=33...(26) QD2 LEU 76 + HG2 MET 48 OK 61 90 - 68 - 4863/1.8=12, 4869/3.3=11...(27) QG1 VAL 50 + HG2 MET 48 OK 47 100 - 47 - 4869/3.3=9, 4863/1.8=8...(11) Peak 4859 from cnoeabs.peaks (1.50, 2.35, 33.06 ppm; 4.64 A): 3 out of 13 assignments used, quality = 0.96: HG LEU 34 + HG3 MET 48 OK 80 95 - 85 - 2.1/4673=31, 4.3/4890=26...(19) HD3 LYS 64 + HG3 MET 48 OK 62 78 - 79 - 5.0/5426=19, ~4870=17...(19) HG2 GLU 37 + HG3 MET 48 OK 51 100 - 51 - 1.8/2421=15, 2187/3.0=6...(16) QB ALA 71 - HG3 MET 48 OK 44 87 - 50 - 4196/4882=13, 5653/1.8=9...(15) HB3 LYS 26 - HG3 MET 48 OK 42 90 - 46 - 2.9/4861=5, 1697/1.8=3...(22) HB2 LYS 56 - HG3 MET 48 OK 41 100 - 41 - ~4867=4, 5211/3.3=4...(18) HD2 LYS 17 - HG3 MET 48 OK 35 99 - 35 - 3.0/4673=8, 4895/1.8=2...(15) HD3 LYS 17 - HG3 MET 48 OK 35 99 - 35 - 3.0/4673=8, 4895/1.8=2...(15) HG3 ARG 27 - HG3 MET 48 OK 17 90 - 19 - 2.9/2440=2, 4898/3.0=2...(6) QB ALA 72 - HG3 MET 48 OK 11 98 - 11 - 5680/3.0=2, 4195/4882=1 HB2 LEU 85 - HG3 MET 48 lone 9 97 - 9 - 1.8/4896=1 HG LEU 79 - HG3 MET 48 poor 8 65 - 12 - 2.1/4862=3, ~4857=3...(4) HB2 ARG 45 - HG3 MET 48 lone 7 99 - 7 - Peak 4860 from cnoeabs.peaks (1.36, 2.35, 33.06 ppm; 3.30 A): 3 out of 11 assignments used, quality = 0.97: QB ALA 67 + HG3 MET 48 OK 75 93 - 80 - 5505=36, 5504/1.8=18...(18) HG2 LYS 68 + HG3 MET 48 OK 70 97 - 73 - 3.9/4882=13, 4.9/5536=10...(30) HB2 LYS 64 + HG3 MET 48 OK 64 100 - 64 - 3.0/5426=13, ~4879=10...(21) HB3 LYS 56 - HG3 MET 48 OK 17 81 - 21 - 4855/1.8=2, ~4867=2...(8) QB ALA 69 - HG3 MET 48 OK 15 63 - 23 - 4.4/4882=12, ~4914=4...(6) HG2 LYS 44 - HG3 MET 48 OK 14 95 - 15 - 4855/1.8=2, 4897/3.0=1 HB3 LEU 12 - HG3 MET 48 poor 9 85 - 10 - 4855/1.8=1 HG2 LYS 91 - HG3 MET 48 lone 7 99 - 7 - 4855/1.8=1 HG3 LYS 91 - HG3 MET 48 lone 7 99 - 7 - 4855/1.8=1 QB ALA 89 - HG3 MET 48 lone 2 100 - 2 - QB ALA 86 - HG3 MET 48 lone 1 90 - 1 - Peak 4861 from cnoeabs.peaks (1.21, 2.35, 33.06 ppm; 3.89 A): 3 out of 8 assignments used, quality = 0.98: QD1 LEU 34 + HG3 MET 48 OK 78 97 - 81 - 4673=34, 4.0/4890=20...(20) HD2 LYS 68 + HG3 MET 48 OK 70 83 - 84 - 5.2/4882=14, 5.8/5536=12...(40) HD3 LYS 68 + HG3 MET 48 OK 68 81 - 84 - 5.2/4882=14, 5.8/5536=12...(40) HG3 LYS 26 - HG3 MET 48 OK 41 100 - 41 - 4856/1.8=4, 4866/3.3=3...(21) HG13 ILE 35 - HG3 MET 48 OK 38 73 - 51 - 4.5/4735=13, 4727/4.0=13...(15) HG3 LYS 44 - HG3 MET 48 OK 10 63 - 16 - 1.8/4860=2, ~4855=1...(5) HG2 LYS 14 - HG3 MET 48 lone 10 100 - 10 - 4856/1.8=1, 3.0/4896=1 QG2 THR 83 - HG3 MET 48 lone 6 99 - 6 - Peak 4862 from cnoeabs.peaks (0.80, 2.35, 33.06 ppm; 4.36 A): 3 out of 7 assignments used, quality = 0.97: HG3 LYS 68 + HG3 MET 48 OK 90 99 - 91 - 3.9/4882=24, 4.9/5536=20...(33) QG1 VAL 47 + HG3 MET 48 OK 47 71 - 67 - 4.3/719=26, 3.2/4830=13...(17) QG2 ILE 35 + HG3 MET 48 OK 41 65 - 63 - 4.0/4735=18, 4708/4.0=15...(19) QD1 LEU 23 - HG3 MET 48 OK 25 98 - 25 - 4857/1.8=5, 4868/3.3=4...(9) QD1 LEU 73 - HG3 MET 48 OK 19 81 - 24 - 3.1/2440=4, 4857/1.8=3...(8) QD2 LEU 79 - HG3 MET 48 OK 17 96 - 17 - 4868/3.3=4, 4857/1.8=3...(6) QD1 LEU 30 - HG3 MET 48 lone 4 65 - 6 - 4868/3.3=2, 4857/1.8=1 Peak 4863 from cnoeabs.peaks (0.69, 2.35, 33.06 ppm; 5.55 A): 3 out of 3 assignments used, quality = 0.96: HG3 LYS 64 + HG3 MET 48 OK 89 97 - 92 - ~4870=34, 4.1/5426=32...(22) QD2 LEU 76 + HG3 MET 48 OK 49 81 - 61 - 4858/1.8=12, 4869/3.3=11...(21) QG1 VAL 50 + HG3 MET 48 OK 36 100 - 36 - 4858/1.8=10, 4869/3.3=8...(10) Peak 4864 from cnoeabs.peaks (1.46, 1.93, 17.04 ppm; 2.98 A): 5 out of 8 assignments used, quality = 0.90: HD2 LYS 64 + QE MET 48 OK 58 100 - 58 - 2.9/4870=17, 2.9/4869=10...(14) HB3 LYS 64 + QE MET 48 OK 55 85 - 65 - 3.0/4870=17, 3.0/4885=17...(18) HB3 LEU 76 + QE MET 48 OK 25 100 - 25 - 3.1/4869=5, 3231=3...(11) HG2 LYS 65 + QE MET 48 OK 20 93 - 21 - 3.7/4887=5, 3.0/2447=3...(7) HG3 LYS 78 + QE MET 48 OK 13 100 - 13 - 3333=2, 2.9/2446=1...(4) HG LEU 12 - QE MET 48 lone 7 100 - 7 - HG LEU 79 - QE MET 48 lone 7 90 - 7 - 2.1/4868=3 HB3 ARG 45 - QE MET 48 lone 5 99 - 5 - 2841/4870=1 Peak 4865 from cnoeabs.peaks (1.38, 1.93, 17.04 ppm; 2.93 A): 7 out of 10 assignments used, quality = 0.95: HG2 LYS 68 + QE MET 48 OK 54 90 - 60 - 1.8/4868=13, 3.9/4886=12...(25) QB ALA 67 + QE MET 48 OK 53 95 - 56 - 5505/3.3=15, 5504/3.3=9...(13) HB2 LYS 64 + QE MET 48 OK 52 78 - 66 - 3.0/4870=16, 3.0/4885=16...(20) QB ALA 69 + QE MET 48 OK 20 100 - 20 - 4.4/4886=10, ~4914=2...(4) HB3 LYS 56 + QE MET 48 OK 19 99 - 19 - 2.9/4867=4, 4.6/4920=2...(5) HD3 LYS 56 + QE MET 48 OK 14 98 - 14 - 3.0/4867=4, 2673/4867=1...(5) HG2 LYS 44 + QE MET 48 OK 10 93 - 11 - 3.5/4883=1 HB3 LEU 12 - QE MET 48 lone 9 99 - 9 - HG2 LYS 31 - QE MET 48 lone 4 73 - 5 - 3900/4921=2, 3.0/2446=1 QB ALA 89 - QE MET 48 lone 1 63 - 1 - Peak 4866 from cnoeabs.peaks (1.21, 1.93, 17.04 ppm; 2.82 A): 6 out of 8 assignments used, quality = 0.94: QD1 LEU 34 + QE MET 48 OK 56 100 - 56 - 2.1/4867=12, 4673/3.3=10...(16) HD2 LYS 68 + QE MET 48 OK 48 93 - 52 - 3.0/4868=9, 5.2/4886=7...(25) HD3 LYS 68 + QE MET 48 OK 47 92 - 52 - 3.0/4868=9, 5.2/4886=7...(25) HG13 ILE 35 + QE MET 48 OK 24 87 - 28 - 4.5/4919=8, 4727/5.3=5...(10) HG3 LYS 26 + QE MET 48 OK 19 99 - 19 - 4861/3.3=2, 4856/3.3=1...(4) HG2 LYS 17 + QE MET 48 OK 14 65 - 21 - 4673/3.3=3, 4679=2...(6) HG2 LYS 14 - QE MET 48 lone 4 97 - 4 - QG2 THR 83 - QE MET 48 lone 3 100 - 3 - Peak 4867 from cnoeabs.peaks (1.06, 1.93, 17.04 ppm; 3.73 A): 3 out of 4 assignments used, quality = 0.78: QD2 LEU 34 + QE MET 48 OK 67 100 - 67 - 4.0/4893=13, 2.1/4866=12...(18) HG2 LYS 56 + QE MET 48 OK 26 99 - 26 - 2.9/4865=3, 2.9/5211=3...(11) QG2 VAL 66 + QE MET 48 OK 12 85 - 14 - 5423/4885=2, 5464/4.0=2...(5) QG2 THR 38 - QE MET 48 lone 6 85 - 7 - 3.2/4891=1 Peak 4868 from cnoeabs.peaks (0.79, 1.93, 17.04 ppm; 3.41 A): 5 out of 6 assignments used, quality = 0.86: HG3 LYS 68 + QE MET 48 OK 70 97 - 72 - 3.9/4886=17, 1.8/4865=10...(24) QG1 VAL 47 + QE MET 48 OK 24 57 - 41 - 4.3/2444=11, ~4830=4...(15) QD1 LEU 23 + QE MET 48 OK 18 100 - 18 - 4857/3.3=2, 4862/3.3=2...(6) QD2 LEU 79 + QE MET 48 OK 15 99 - 15 - 4857/3.3=2, 5873/4925=1...(5) QD1 LEU 73 + QE MET 48 OK 13 90 - 14 - 3.1/2447=2, 4857/3.3=2 QD1 LEU 30 - QE MET 48 lone 7 78 - 9 - 4593/4924=3, 4611/4925=1 Peak 4869 from cnoeabs.peaks (0.70, 1.93, 17.04 ppm; 3.42 A): 4 out of 4 assignments used, quality = 0.91: HG3 LYS 64 + QE MET 48 OK 75 100 - 75 - 1.8/4870=29, 4.1/4885=17...(17) QD2 LEU 76 + QE MET 48 OK 39 97 - 40 - 5771/3.3=5, 3252=4...(14) QG1 VAL 50 + QE MET 48 OK 29 98 - 30 - 5036/4924=6, 5037/4925=4...(12) QG2 VAL 20 + QE MET 48 OK 17 73 - 23 - 4410/4924=4, 4403/4886=3...(6) Peak 4870 from cnoeabs.peaks (0.59, 1.93, 17.04 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.79: HG2 LYS 64 + QE MET 48 OK 79 100 - 80 - 4.1/4885=22, 1.8/4869=20...(18) Peak 4876 from cnoeabs.peaks (4.98, 5.61, 52.17 ppm; 3.44 A): 1 out of 1 assignment used, quality = 0.88: HA LEU 34 + HA MET 48 OK 88 100 - 88 - 4699=41, 3.6/4704=22...(19) Peak 4877 from cnoeabs.peaks (3.54, 1.75, 35.42 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.91: HA LYS 68 + HB3 MET 48 OK 91 100 - 91 - 4880/3.0=30, 4882/3.0=26...(22) HB3 SER 36 - HB3 MET 48 poor 8 63 - 12 - 4871/4.0=6, 4761/4.0=2 Peak 4878 from cnoeabs.peaks (3.54, 1.79, 35.42 ppm; 4.21 A): 2 out of 2 assignments used, quality = 0.93: HA LYS 68 + HB2 MET 48 OK 91 100 - 91 - 4880/3.0=31, 4882/3.0=27...(23) HA LYS 68 + HG3 GLU 37 OK 21 99 - 21 - 4882/2421=4, 4880/2420=2...(9) Peak 4879 from cnoeabs.peaks (3.29, 2.53, 33.06 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.91: HA LYS 64 + HG2 MET 48 OK 91 99 - 91 - 4885/3.3=40, 5426/1.8=38...(21) Peak 4880 from cnoeabs.peaks (3.53, 2.53, 33.06 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.94: HA LYS 68 + HG2 MET 48 OK 94 99 - 95 - 4882/1.8=32, 4886/3.3=28...(29) Peak 4881 from cnoeabs.peaks (3.29, 2.35, 33.06 ppm; 5.13 A): 1 out of 2 assignments used, quality = 0.92: HA LYS 64 + HG3 MET 48 OK 92 97 - 95 - 5426=46, 4879/1.8=42...(19) HB3 TYR 70 - HG3 MET 48 poor 9 60 - 14 - ~4774=3, 5599/5505=2...(5) Peak 4882 from cnoeabs.peaks (3.53, 2.35, 33.06 ppm; 4.59 A): 1 out of 1 assignment used, quality = 0.98: HA LYS 68 + HG3 MET 48 OK 98 99 - 98 - 4880/1.8=44, 5538=35...(27) Peak 4883 from cnoeabs.peaks (2.73, 1.93, 17.04 ppm; 3.85 A): 2 out of 4 assignments used, quality = 0.82: HE3 LYS 64 + QE MET 48 OK 59 97 - 61 - 3.8/4870=24, 3.8/4869=13...(11) HE2 LYS 64 + QE MET 48 OK 57 95 - 60 - 3.8/4870=24, 3.8/4869=13...(11) HE3 LYS 44 - QE MET 48 poor 10 87 - 11 - 4669/4867=2, 3.5/4865=1 HB3 ASN 90 - QE MET 48 lone 2 90 - 2 - Peak 4884 from cnoeabs.peaks (2.86, 1.93, 17.04 ppm; 3.55 A): 4 out of 10 assignments used, quality = 0.81: HB3 TYR 32 + QE MET 48 OK 72 100 - 72 - 2.5/4925=19, 4617=13...(16) HE2 LYS 65 + QE MET 48 OK 13 78 - 16 - 5.8/4887=5, 3.8/4864=3...(6) HE3 LYS 17 + QE MET 48 OK 11 100 - 11 - 3.9/4866=2 HE3 LYS 65 + QE MET 48 OK 11 68 - 16 - 5.8/4887=5, 3.8/4864=3...(6) HE2 LYS 17 - QE MET 48 poor 10 95 - 10 - 3.9/4866=2 HB3 ASN 18 - QE MET 48 lone 8 100 - 8 - 3.9/4920=3 HB2 ASN 18 - QE MET 48 lone 8 100 - 8 - 3.9/4920=3 HB3 ASN 63 - QE MET 48 lone 6 100 - 6 - 3.0/4891=2 HB3 ASN 24 - QE MET 48 lone 5 100 - 5 - 3.0/4891=1 HB2 ASN 90 - QE MET 48 lone 1 65 - 2 - Peak 4885 from cnoeabs.peaks (3.29, 1.93, 17.04 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.81: HA LYS 64 + QE MET 48 OK 81 99 - 81 - 4.1/4870=22, 4879/3.3=19...(20) Peak 4886 from cnoeabs.peaks (3.53, 1.93, 17.04 ppm; 4.09 A): 1 out of 1 assignment used, quality = 0.93: HA LYS 68 + QE MET 48 OK 93 99 - 93 - 4880/3.3=28, 4882/3.3=24...(26) Peak 4887 from cnoeabs.peaks (3.75, 1.93, 17.04 ppm; 4.99 A): 2 out of 3 assignments used, quality = 0.62: HA LYS 65 + QE MET 48 OK 43 89 - 49 - 4175/4922=8, 3.0/2447=7...(16) HB2 SER 36 + QE MET 48 OK 32 100 - 32 - 4755=7, 4.0/4754=6...(8) HA2 GLY 40 - QE MET 48 lone 3 95 - 4 - Peak 4888 from cnoeabs.peaks (3.79, 2.53, 33.06 ppm; 6.20 A): 3 out of 4 assignments used, quality = 0.94: HA ALA 67 + HG2 MET 48 OK 91 93 - 97 - ~5505=46, 2.9/4913=37...(16) HD3 PRO 19 + HG2 MET 48 OK 24 100 - 24 - 4872/5.1=4, 827/4913=4...(5) HD2 PRO 84 + HG2 MET 48 OK 14 60 - 23 - 4872/5.1=4, 316/4915=2...(7) HA2 GLY 40 - HG2 MET 48 lone 3 83 - 4 - Peak 4889 from cnoeabs.peaks (5.01, 2.53, 33.06 ppm; 6.06 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4890 from cnoeabs.peaks (4.99, 2.35, 33.06 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.72: HA LEU 34 + HG3 MET 48 OK 72 96 - 76 - 4876/4.0=31, 4.0/4673=21...(12) Peak 4891 from cnoeabs.peaks (4.63, 1.93, 17.04 ppm; 4.08 A): 5 out of 10 assignments used, quality = 0.72: HA GLU 33 + QE MET 48 OK 53 100 - 53 - 2.9/3962=15, 3.6/4920=15...(15) HA ASN 63 + QE MET 48 OK 13 99 - 13 - ~5391=3, 5406/4923=3...(5) HA PHE 57 + QE MET 48 OK 13 76 - 17 - 2.9/4920=7, 3.6/4921=5 HA ASP 43 + QE MET 48 OK 12 73 - 17 - 3.0/4922=8, ~4917=3...(4) HA ARG 27 + QE MET 48 OK 10 96 - 11 - 3.0/2447=1, 4603/4925=1 HA HIS 42 - QE MET 48 lone 9 100 - 9 - 3.6/4922=7 HA LEU 12 - QE MET 48 poor 8 78 - 10 - 5417/4885=2, 3.0/4865=2 HA ASN 24 - QE MET 48 lone 6 100 - 6 - 3.0/4884=1 HA THR 38 - QE MET 48 lone 6 89 - 7 - 3.2/4867=2, 2197/4867=1 HA ASP 82 - QE MET 48 lone 6 96 - 6 - 3.0/390=1 Peak 4893 from cnoeabs.peaks (4.96, 1.93, 17.04 ppm; 3.58 A): 2 out of 2 assignments used, quality = 0.81: HA LEU 34 + QE MET 48 OK 63 97 - 64 - 3.6/4919=18, 4699/5.3=13...(9) HA TYR 32 + QE MET 48 OK 49 81 - 60 - 3.0/4884=14, 3.7/4925=14...(12) Peak 4894 from cnoeabs.peaks (1.59, 2.53, 33.06 ppm; 4.47 A): 2 out of 12 assignments used, quality = 0.97: HB2 LYS 68 + HG2 MET 48 OK 95 98 - 97 - 3.0/4880=35, ~4882=21...(42) HD3 LYS 65 + HG2 MET 48 OK 45 95 - 48 - 3.5/2433=6, 4896/1.8=6...(27) HD2 LYS 65 - HG2 MET 48 OK 43 90 - 48 - 3.5/2433=6, 4896/1.8=6...(26) HG LEU 23 - HG2 MET 48 OK 21 89 - 24 - 2.1/4857=5, ~4862=3...(9) HG LEU 73 - HG2 MET 48 OK 17 71 - 23 - 3.0/2433=4, 2.1/4857=3...(9) HB2 LEU 12 - HG2 MET 48 OK 16 100 - 17 - 3025/4880=2, 4896/1.8=2...(6) HD2 LYS 14 - HG2 MET 48 OK 12 97 - 12 - 4896/1.8=2, ~4896=1, 3.0/4856=1 HD3 LYS 14 - HG2 MET 48 OK 12 97 - 12 - 4896/1.8=2, ~4896=1, 3.0/4856=1 HB3 LEU 85 - HG2 MET 48 lone 8 100 - 8 - 4896/1.8=1 HG LEU 85 - HG2 MET 48 lone 8 97 - 8 - HB2 LEU 87 - HG2 MET 48 lone 6 100 - 6 - HG LEU 87 - HG2 MET 48 lone 5 90 - 5 - Peak 4895 from cnoeabs.peaks (1.52, 2.53, 33.06 ppm; 4.56 A): 3 out of 16 assignments used, quality = 0.98: HD3 LYS 64 + HG2 MET 48 OK 79 99 - 79 - 5.0/4879=20, ~4870=17...(19) HG LEU 34 + HG2 MET 48 OK 77 100 - 77 - ~4673=24, 4695/4.0=17...(19) QB ALA 71 + HG2 MET 48 OK 57 100 - 58 - 4196/4880=16, 5653=10...(19) HB3 LYS 26 - HG2 MET 48 OK 45 100 - 45 - 2.9/4856=4, 2.9/1707=4...(18) HG2 GLU 37 - HG2 MET 48 OK 44 90 - 49 - ~2421=11, 1.8/2420=7...(15) HB2 LYS 56 - HG2 MET 48 OK 35 89 - 39 - ~4867=4, 5211/3.3=3...(16) HD2 LYS 17 - HG2 MET 48 OK 34 98 - 34 - ~4673=6, 4898/3.0=3...(15) HD3 LYS 17 - HG2 MET 48 OK 34 98 - 34 - ~4673=6, 4898/3.0=3...(15) HD2 LYS 56 - HG2 MET 48 OK 31 93 - 33 - ~4867=4, 4898/3.0=2...(17) HG3 ARG 27 - HG2 MET 48 OK 21 100 - 21 - 4898/3.0=2, 2.9/2433=2...(6) HB3 LYS 44 - HG2 MET 48 OK 18 76 - 24 - 2.9/4855=2, 1.8/2432=2...(8) QB ALA 72 - HG2 MET 48 OK 15 71 - 22 - 4.2/5653=6, 5698/2028=2...(7) HB2 LEU 85 - HG2 MET 48 OK 11 100 - 10 - 1.8/4894=1 HB2 ARG 45 - HG2 MET 48 lone 8 98 - 8 - 2824/4879=1 HG LEU 30 - HG2 MET 48 lone 7 78 - 9 - ~4868=1, 2.1/4857=1 HB3 LEU 87 - HG2 MET 48 lone 6 93 - 7 - Peak 4896 from cnoeabs.peaks (1.58, 2.35, 33.06 ppm; 5.02 A): 3 out of 11 assignments used, quality = 0.97: HB2 LYS 68 + HG3 MET 48 OK 84 85 - 98 - 3.0/4882=37, 4.0/5536=31...(38) HD3 LYS 65 + HG3 MET 48 OK 55 100 - 55 - 3.5/2440=7, 4894/1.8=7...(26) HD2 LYS 65 + HG3 MET 48 OK 54 99 - 55 - 3.5/2440=7, 4894/1.8=6...(26) HG LEU 23 - HG3 MET 48 OK 18 65 - 27 - 2.1/4862=5, ~4857=4...(11) HB2 LEU 12 - HG3 MET 48 OK 16 92 - 18 - 4894/1.8=2, 1.8/4860=2...(9) HD2 LYS 14 - HG3 MET 48 OK 16 100 - 16 - 4894/1.8=2, ~4894=1...(5) HD3 LYS 14 - HG3 MET 48 OK 16 100 - 16 - 4894/1.8=2, ~4894=2...(5) HB3 LEU 85 - HG3 MET 48 lone 9 99 - 9 - 4894/1.8=1 HG LEU 85 - HG3 MET 48 lone 7 81 - 9 - 4894/1.8=1 HB2 LEU 87 - HG3 MET 48 lone 6 92 - 6 - HG LEU 87 - HG3 MET 48 lone 4 68 - 6 - Peak 4897 from cnoeabs.peaks (1.36, 1.75, 35.42 ppm; 3.91 A): 3 out of 12 assignments used, quality = 0.99: QB ALA 67 + HB3 MET 48 OK 84 99 - 86 - 5505/3.0=31, 5493/4.0=23...(18) HG2 LYS 68 + HB3 MET 48 OK 76 100 - 77 - 3.9/4877=20, 4860/3.0=9...(26) HB2 LYS 64 + HB3 MET 48 OK 60 100 - 60 - ~4879=11, ~5426=10...(15) HB3 LYS 56 - HB3 MET 48 OK 28 92 - 30 - 1.8/4898=3, 4847/3.0=3...(16) QB ALA 69 - HB3 MET 48 OK 24 78 - 31 - 4.4/4877=18, ~4914=5...(7) HG2 LYS 44 - HB3 MET 48 OK 22 99 - 22 - 2278/1.8=2, 4847/3.0=2...(8) HB3 LEU 12 - HB3 MET 48 OK 14 95 - 15 - ~4850=3, 6183/4.7=2...(5) HD3 LYS 56 - HB3 MET 48 OK 12 57 - 21 - 1.8/4898=2, 3.4/4898=2...(8) HG2 LYS 91 - HB3 MET 48 OK 11 96 - 11 - HG3 LYS 91 - HB3 MET 48 OK 11 96 - 11 - QB ALA 89 - HB3 MET 48 lone 3 99 - 3 - QB ALA 86 - HB3 MET 48 lone 1 78 - 2 - Peak 4898 from cnoeabs.peaks (1.52, 1.75, 35.42 ppm; 3.40 A): 6 out of 16 assignments used, quality = 0.92: HG LEU 34 + HB3 MET 48 OK 56 100 - 56 - ~4673=9, ~4692=9...(17) QB ALA 71 + HB3 MET 48 OK 40 100 - 40 - 4196/4877=8, 5659=8...(14) HG2 GLU 37 + HB3 MET 48 OK 30 90 - 33 - 1.8/2419=5, 2187/1.8=4...(15) HD3 LYS 64 + HB3 MET 48 OK 25 99 - 26 - 5439/4.0=5, ~4863=4...(8) HB3 LYS 26 + HB3 MET 48 OK 24 100 - 24 - 2.9/4854=2, 1697/3.0=2...(11) HB2 LYS 56 + HB3 MET 48 OK 19 89 - 21 - 1.8/4897=2, 5211/4.0=2...(9) HD3 LYS 17 - HB3 MET 48 OK 18 98 - 18 - ~4692=2, ~4673=2...(7) HD2 LYS 17 - HB3 MET 48 OK 18 98 - 18 - ~4692=2, ~4673=2...(7) HD2 LYS 56 - HB3 MET 48 OK 16 93 - 17 - 3.4/4897=2, ~4777=1, 4895/3.0=1 HG3 ARG 27 - HB3 MET 48 OK 15 100 - 15 - 1792/1.8=1 HB3 LYS 44 - HB3 MET 48 OK 11 76 - 14 - 2.9/4897=1, 1.8/2425=1 QB ALA 72 - HB3 MET 48 poor 9 71 - 12 - 4.2/5659=3 HB2 LEU 85 - HB3 MET 48 lone 5 100 - 5 - HB3 LEU 87 - HB3 MET 48 lone 3 93 - 3 - HG LEU 30 - HB3 MET 48 lone 3 78 - 3 - HB2 ARG 45 - HB3 MET 48 lone 2 98 - 2 - Peak 4904 from cnoeabs.peaks (8.98, 5.61, 52.17 ppm; 3.68 A): 1 out of 1 assignment used, quality = 0.95: H ILE 35 + HA MET 48 OK 95 100 - 95 - 4704=50, 3.6/4876=26...(21) Peak 4905 from cnoeabs.peaks (7.56, 5.61, 52.17 ppm; 5.25 A): 3 out of 4 assignments used, quality = 0.94: H SER 36 + HA MET 48 OK 85 100 - 85 - 4.7/4704=36, 4.4/4708=31...(15) H LYS 44 + HA MET 48 OK 43 96 - 45 - 973/4704=6, 3924/4708=5...(16) HE22 GLN 55 + HA MET 48 OK 25 76 - 33 - ~4908=5, ~4907=4, ~485=4...(16) HD21 ASN 63 - HA MET 48 poor 8 73 - 11 - 3927/4730=1, 3926/4727=1...(6) Peak 4906 from cnoeabs.peaks (8.82, 5.61, 52.17 ppm; 5.92 A): 3 out of 3 assignments used, quality = 0.94: H GLY 59 + HA MET 48 OK 81 93 - 87 - 5337/3.0=46, 5335/4.8=29...(15) H LEU 34 + HA MET 48 OK 56 57 - 98 - 3.0/4876=50, 4.6/4704=43...(17) H PHE 57 + HA MET 48 OK 28 73 - 39 - 4928/3.6=11, 4.6/4847=4...(13) Peak 4907 from cnoeabs.peaks (6.81, 1.79, 35.42 ppm; 5.01 A): 4 out of 6 assignments used, quality = 0.94: QD TYR 32 + HB2 MET 48 OK 82 99 - 83 - 4925/4.0=24, 4912/3.0=16...(18) QE TYR 70 + HB2 MET 48 OK 35 98 - 36 - 4925/4.0=6, 4912/3.0=5...(8) HE21 GLN 55 + HB2 MET 48 OK 29 93 - 31 - ~4914=5, 4925/4.0=5...(8) QE TYR 70 + HG3 GLU 37 OK 25 96 - 25 - ~4775=6, 2.2/4774=4...(7) QD TYR 32 - HG3 GLU 37 OK 24 97 - 25 - 4604/4878=3, 4.6/3958=2...(9) HE21 GLN 55 - HG3 GLU 37 lone 7 91 - 8 - 5202/1.8=1 Peak 4908 from cnoeabs.peaks (6.82, 1.75, 35.42 ppm; 4.99 A): 3 out of 3 assignments used, quality = 0.91: QD TYR 32 + HB3 MET 48 OK 83 100 - 84 - 4925/4.0=24, 4912/3.0=21...(18) QE TYR 70 + HB3 MET 48 OK 29 83 - 36 - 4925/4.0=6, 4912/3.0=6...(11) HE21 GLN 55 + HB3 MET 48 OK 25 71 - 36 - ~4914=5, 4925/4.0=5...(10) Peak 4909 from cnoeabs.peaks (7.98, 1.75, 35.42 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.99: H LYS 68 + HB3 MET 48 OK 99 100 - 99 - 5536/3.0=48, 3.0/4877=45...(18) H ASP 43 - HB3 MET 48 OK 45 99 - 45 - 4917/3.0=13, 4915/3.0=13...(7) Peak 4910 from cnoeabs.peaks (8.85, 1.75, 35.42 ppm; 5.43 A): 1 out of 2 assignments used, quality = 0.57: H GLY 59 + HB3 MET 48 OK 57 87 - 66 - 4903/4.0=42, 3.0/5327=15...(8) H LYS 14 - HB3 MET 48 lone 3 60 - 5 - Peak 4911 from cnoeabs.peaks (8.84, 1.79, 35.42 ppm; 6.06 A): 2 out of 2 assignments used, quality = 0.82: H GLY 59 + HB2 MET 48 OK 76 100 - 76 - 5337/4.0=47, 4906/3.0=15...(12) H GLY 59 + HG3 GLU 37 OK 26 99 - 26 - 5337/2416=7, 4.7/5265=3...(9) Peak 4912 from cnoeabs.peaks (6.83, 2.53, 33.06 ppm; 5.69 A): 1 out of 2 assignments used, quality = 0.94: QD TYR 32 + HG2 MET 48 OK 94 98 - 96 - 4925/3.3=29, ~4924=26...(31) QE TYR 70 - HG2 MET 48 OK 28 68 - 42 - 4908/3.0=9, 4925/3.3=8...(9) Peak 4913 from cnoeabs.peaks (7.41, 2.53, 33.06 ppm; 6.12 A): 1 out of 1 assignment used, quality = 0.96: H ALA 67 + HG2 MET 48 OK 96 100 - 96 - ~5505=42, 4916/1.8=42...(17) Peak 4914 from cnoeabs.peaks (7.53, 2.53, 33.06 ppm; 5.99 A): 3 out of 3 assignments used, quality = 0.94: H ALA 69 + HG2 MET 48 OK 83 99 - 84 - 3.6/4880=46, 4.6/4915=29...(18) HE22 GLN 55 + HG2 MET 48 OK 45 98 - 46 - ~4908=6, ~4925=6...(16) H ASN 63 + HG2 MET 48 OK 38 99 - 38 - 5391=8, 1047/4913=6...(11) Peak 4915 from cnoeabs.peaks (7.99, 2.53, 33.06 ppm; 4.13 A): 1 out of 2 assignments used, quality = 0.96: H LYS 68 + HG2 MET 48 OK 96 99 - 96 - 5536/1.8=33, 3.0/4880=31...(27) H ASP 43 - HG2 MET 48 OK 34 100 - 34 - 4917/1.8=9, 4922/3.3=7...(11) Peak 4916 from cnoeabs.peaks (7.42, 2.35, 33.06 ppm; 6.08 A): 1 out of 1 assignment used, quality = 0.96: H ALA 67 + HG3 MET 48 OK 96 100 - 96 - 2.9/5505=48, 4913/1.8=41...(15) Peak 4917 from cnoeabs.peaks (7.99, 2.35, 33.06 ppm; 4.71 A): 1 out of 2 assignments used, quality = 0.98: H LYS 68 + HG3 MET 48 OK 98 99 - 98 - 5536=49, 3.7/5505=36...(21) H ASP 43 - HG3 MET 48 OK 40 100 - 40 - 4915/1.8=12, 4922/3.3=9...(11) Peak 4918 from cnoeabs.peaks (8.99, 2.35, 33.06 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.94: H ILE 35 + HG3 MET 48 OK 94 99 - 95 - 4735=49, 4704/4.0=43...(14) Peak 4919 from cnoeabs.peaks (8.98, 1.93, 17.04 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.78: H ILE 35 + QE MET 48 OK 78 100 - 78 - 4704/5.3=23, 4735/3.3=22...(14) Peak 4920 from cnoeabs.peaks (8.79, 1.93, 17.04 ppm; 4.10 A): 3 out of 4 assignments used, quality = 0.88: H LEU 34 + QE MET 48 OK 78 100 - 78 - 3.0/4893=20, 4.6/4919=19...(14) H PHE 57 + QE MET 48 OK 34 100 - 34 - 5251=4, 4.6/4921=4...(15) H ASN 18 + QE MET 48 OK 20 97 - 20 - 4.9/4866=2, 5251=2...(9) H GLY 54 - QE MET 48 lone 8 95 - 8 - Peak 4921 from cnoeabs.peaks (8.66, 1.93, 17.04 ppm; 4.99 A): 2 out of 2 assignments used, quality = 0.78: H TYR 32 + QE MET 48 OK 72 90 - 80 - 4.4/4925=22, 3.0/4893=20...(13) H GLN 58 + QE MET 48 OK 21 78 - 27 - 4.6/4920=7, 3.6/4891=3...(7) Peak 4922 from cnoeabs.peaks (7.98, 1.93, 17.04 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.95: H LYS 68 + QE MET 48 OK 92 100 - 92 - 3.0/4886=34, 5536/3.3=28...(19) H ASP 43 + QE MET 48 OK 36 99 - 36 - 4915/3.3=8, 4917/3.3=8...(11) Peak 4923 from cnoeabs.peaks (7.03, 1.93, 17.04 ppm; 5.92 A): 2 out of 4 assignments used, quality = 0.82: QD PHE 46 + QE MET 48 OK 63 97 - 65 - 4734/4870=12...(18) QE PHE 80 + QE MET 48 OK 50 100 - 50 - 4719/3.3=8, 5415/4885=6...(16) HD2 HIS 10 - QE MET 48 lone 7 78 - 9 - 5441/4870=2, 5415/4885=1 HE ARG 45 - QE MET 48 lone 5 76 - 6 - 5415/4885=1, 5.0/4864=1 Peak 4924 from cnoeabs.peaks (6.67, 1.93, 17.04 ppm; 5.31 A): 1 out of 1 assignment used, quality = 0.86: QE TYR 32 + QE MET 48 OK 86 99 - 87 - 2.2/4925=33, 4.4/4884=19...(19) Peak 4925 from cnoeabs.peaks (6.82, 1.93, 17.04 ppm; 3.87 A): 3 out of 3 assignments used, quality = 0.88: QD TYR 32 + QE MET 48 OK 81 100 - 81 - 2.2/4924=19, 2.5/4884=18...(18) QE TYR 70 + QE MET 48 OK 22 92 - 24 - 4908/4.0=4, 4912/3.3=3...(8) HE21 GLN 55 + QE MET 48 OK 18 83 - 21 - 4908/4.0=3, ~4914=3...(6) Peak 4929 from cnoeabs.peaks (8.83, 5.67, 54.09 ppm; 4.18 A): 2 out of 2 assignments used, quality = 0.91: H GLY 59 + HA GLU 49 OK 85 98 - 87 - 5336=48, 3.6/4946=33...(12) H PHE 57 + HA GLU 49 OK 37 60 - 61 - 5244=21, 5028/3.6=14...(11) Peak 4930 from cnoeabs.peaks (8.64, 5.67, 54.09 ppm; 6.18 A): 2 out of 2 assignments used, quality = 1.00: H GLN 58 + HA GLU 49 OK 99 100 - 100 - 3.0/4946=50, 4.7/5336=42...(21) H VAL 47 + HA GLU 49 OK 59 96 - 62 - 3.9/4961=10, 5299=9...(17) Peak 4933 from cnoeabs.peaks (4.75, 5.67, 54.09 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: HA VAL 50 + HA GLU 49 OK 99 100 - 99 - 3.0/211=50, 3.2/5034=48...(16) Peak 4934 from cnoeabs.peaks (8.21, 1.84, 35.84 ppm; 4.84 A): 2 out of 5 assignments used, quality = 0.97: HE21 GLN 58 + HB2 GLU 49 OK 95 99 - 96 - 5300/3.0=27, 3.5/4985=26...(22) H LYS 56 + HB2 GLU 49 OK 44 100 - 45 - 4936/3.0=9, 4941/3.0=9...(12) H LEU 79 - HB2 GLU 49 OK 32 96 - 33 - 4941/3.0=6, 4936/3.0=5...(14) H GLU 22 - HB2 GLU 49 OK 19 68 - 28 - 4938/1.8=4, 3.0/1550=4...(10) H LEU 87 - HB2 GLU 49 OK 11 93 - 12 - 4941/3.0=2, 4936/3.0=2 Peak 4935 from cnoeabs.peaks (8.80, 2.02, 38.62 ppm; 4.56 A): 4 out of 4 assignments used, quality = 0.93: H PHE 57 + HG2 GLU 49 OK 74 100 - 74 - 5244/3.7=25, 4940/1.8=13...(18) H LEU 34 + HG2 GLU 49 OK 58 99 - 59 - 4940/1.8=11, 148/5.0=10...(18) H ASN 18 + HG2 GLU 49 OK 23 90 - 26 - 4940/1.8=5, 5244/3.7=4...(9) H GLY 54 + HG2 GLU 49 OK 21 87 - 24 - 4.6/3966=8, 4940/1.8=4...(6) Peak 4936 from cnoeabs.peaks (8.21, 2.02, 38.62 ppm; 4.84 A): 2 out of 5 assignments used, quality = 0.98: HE21 GLN 58 + HG2 GLU 49 OK 93 99 - 95 - 3.5/4973=35, 5300/3.7=25...(22) H LYS 56 + HG2 GLU 49 OK 63 100 - 63 - 3.0/4948=12, 4941/1.8=11...(17) H LEU 79 - HG2 GLU 49 OK 35 96 - 37 - 4941/1.8=8, 4934/3.0=5...(13) H GLU 22 - HG2 GLU 49 OK 18 68 - 26 - 4938/3.0=3, 4934/3.0=3...(9) H LEU 87 - HG2 GLU 49 OK 12 93 - 13 - 4941/1.8=3, 4934/3.0=2 Peak 4937 from cnoeabs.peaks (8.80, 2.02, 35.84 ppm; 5.48 A): 2 out of 4 assignments used, quality = 0.95: H PHE 57 + HB3 GLU 49 OK 84 99 - 85 - 5244/3.0=36, 5237/4.3=23...(18) H LEU 34 + HB3 GLU 49 OK 66 95 - 70 - 148/3.7=17, 4935/3.0=14...(17) H ASN 18 - HB3 GLU 49 OK 25 81 - 31 - 5244/3.0=6, 4935/3.0=6...(8) H GLY 54 - HB3 GLU 49 OK 25 76 - 33 - 4.6/3965=9, 232/4.3=6...(7) Peak 4938 from cnoeabs.peaks (8.22, 2.02, 35.84 ppm; 4.65 A): 2 out of 6 assignments used, quality = 0.96: HE21 GLN 58 + HB3 GLU 49 OK 94 98 - 96 - 5300/3.0=25, 5302=18...(23) H LYS 56 + HB3 GLU 49 OK 38 83 - 46 - 4.6/4937=8, 4936/3.0=7...(12) H GLU 22 - HB3 GLU 49 OK 23 98 - 23 - 4.6/586=3, 580/1.8=3...(9) H LEU 79 - HB3 GLU 49 OK 17 60 - 28 - 4934/1.8=4, 4936/3.0=4...(9) H ALA 86 - HB3 GLU 49 lone 4 68 - 6 - 4.3/4965=1 H ASP 88 - HB3 GLU 49 lone 3 68 - 4 - Peak 4940 from cnoeabs.peaks (8.80, 1.93, 38.62 ppm; 5.11 A): 3 out of 4 assignments used, quality = 0.94: H PHE 57 + HG3 GLU 49 OK 77 100 - 77 - 5244/3.7=30, 4935/1.8=19...(17) H LEU 34 + HG3 GLU 49 OK 62 99 - 63 - 4935/1.8=15, 148/5.0=13...(16) H ASN 18 + HG3 GLU 49 OK 26 90 - 29 - 4935/1.8=6, 5244/3.7=5...(9) H GLY 54 - HG3 GLU 49 OK 23 87 - 26 - 4.6/3967=9, 4935/1.8=6...(5) Peak 4941 from cnoeabs.peaks (8.20, 1.93, 38.62 ppm; 4.93 A): 3 out of 4 assignments used, quality = 0.96: HE21 GLN 58 + HG3 GLU 49 OK 88 95 - 93 - 3.5/4984=31, ~4973=25...(18) H LYS 56 + HG3 GLU 49 OK 55 100 - 55 - 4936/1.8=11, 4.6/4940=10...(13) H LEU 79 + HG3 GLU 49 OK 38 99 - 38 - 4936/1.8=6, 4934/3.0=5...(11) H LEU 87 - HG3 GLU 49 OK 13 98 - 13 - 4936/1.8=2, 4934/3.0=2 Peak 4942 from cnoeabs.peaks (5.79, 1.93, 38.62 ppm; 5.43 A): 1 out of 1 assignment used, quality = 0.79: HA GLN 58 + HG3 GLU 49 OK 79 83 - 96 - 4943/1.8=40, 5298/3.7=38...(20) Peak 4943 from cnoeabs.peaks (5.79, 2.02, 38.62 ppm; 5.45 A): 1 out of 1 assignment used, quality = 0.89: HA GLN 58 + HG2 GLU 49 OK 89 92 - 97 - 5298/3.7=42, 4942/1.8=41...(22) Peak 4944 from cnoeabs.peaks (5.80, 2.02, 35.84 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.95: HA GLN 58 + HB3 GLU 49 OK 95 98 - 97 - 5298/3.0=46, 4945/1.8=38...(22) Peak 4945 from cnoeabs.peaks (5.80, 1.84, 35.84 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.98: HA GLN 58 + HB2 GLU 49 OK 98 100 - 98 - 5298/3.0=48, 4944/1.8=42...(21) Peak 4946 from cnoeabs.peaks (5.81, 5.67, 54.09 ppm; 3.34 A): 1 out of 1 assignment used, quality = 0.92: HA GLN 58 + HA GLU 49 OK 92 100 - 92 - 5298=48, 5026/3.6=19...(19) Peak 4948 from cnoeabs.peaks (4.66, 2.02, 38.62 ppm; 5.46 A): 3 out of 5 assignments used, quality = 0.95: HA LYS 56 + HG2 GLU 49 OK 82 100 - 82 - 3.6/4935=16, 3.0/4974=11...(29) HA PHE 57 + HG2 GLU 49 OK 60 98 - 61 - 2.9/4935=18, ~4940=12...(16) HA GLU 33 + HG2 GLU 49 OK 38 60 - 64 - 2.9/2469=17, ~2475=13...(14) HA ASN 90 - HG2 GLU 49 lone 9 99 - 9 - 4998/3966=1, 4932/5.0=1 HA HIS 42 - HG2 GLU 49 lone 2 60 - 3 - Peak 4949 from cnoeabs.peaks (4.76, 2.02, 38.62 ppm; 5.87 A): 1 out of 1 assignment used, quality = 0.94: HA VAL 50 + HG2 GLU 49 OK 94 99 - 95 - 4950/1.8=39, 3.0/3966=32...(15) Peak 4950 from cnoeabs.peaks (4.75, 1.93, 38.62 ppm; 5.67 A): 1 out of 2 assignments used, quality = 0.92: HA VAL 50 + HG3 GLU 49 OK 92 99 - 92 - 4949/1.8=35, 3.0/3967=31...(13) HA HIS 15 - HG3 GLU 49 lone 2 68 - 2 - Peak 4957 from cnoeabs.peaks (1.51, 5.67, 54.09 ppm; 4.16 A): 3 out of 16 assignments used, quality = 0.95: QB ALA 71 + HA GLU 49 OK 82 99 - 83 - 5640=49, 5624/3.6=22...(16) HG LEU 34 + HA GLU 49 OK 49 100 - 50 - ~4700=6, ~4953=5...(22) HB2 LYS 56 + HA GLU 49 OK 47 96 - 50 - 4.6/5244=17, 4971/3.7=4...(17) QB ALA 72 - HA GLU 49 OK 29 83 - 35 - 4.2/5640=23, 6102/3.0=3...(7) HD2 LYS 56 - HA GLU 49 OK 26 85 - 30 - 4988/3.0=3, 4991/3.6=3...(16) HD2 LYS 17 - HA GLU 49 OK 23 100 - 23 - 4988/3.0=2, 4965/3.0=2...(13) HD3 LYS 17 - HA GLU 49 OK 23 100 - 23 - 4988/3.0=2, 4965/3.0=2...(13) HD3 LYS 64 - HA GLU 49 OK 19 97 - 19 - 2.9/4962=4, 5439/3.7=2...(8) HG2 GLU 37 - HA GLU 49 OK 18 97 - 18 - ~3958=3, ~205=2...(6) HB3 LYS 26 - HA GLU 49 OK 16 100 - 16 - 4991/3.6=2, 1.8/4960=2...(6) HB2 LEU 85 - HA GLU 49 OK 14 100 - 14 - 4988/3.0=1, 4965/3.0=1...(4) HG3 ARG 27 - HA GLU 49 OK 14 100 - 14 - 4536/3.6=3, 4951/3.0=1 HB2 ARG 45 - HA GLU 49 OK 14 100 - 14 - 2.9/4960=2, ~4968=1...(6) HB3 LYS 44 - HA GLU 49 poor 8 63 - 12 - ~4968=1, ~6182=1...(5) HG LEU 30 - HA GLU 49 poor 7 65 - 10 - 4991/3.6=3, 5025/5034=2 HB3 LEU 87 - HA GLU 49 lone 6 85 - 7 - Peak 4958 from cnoeabs.peaks (2.27, 5.67, 54.09 ppm; 4.27 A): 2 out of 4 assignments used, quality = 0.99: HG3 GLN 58 + HA GLU 49 OK 97 99 - 97 - 5294=49, 1.8/5295=37...(23) HB2 PRO 84 + HA GLU 49 OK 66 95 - 70 - 4972/3.7=11, 4983/3.7=10...(35) HB2 PRO 81 - HA GLU 49 OK 31 68 - 45 - 1.8/5296=7, 2734/4946=5...(22) HG3 MET 11 - HA GLU 49 OK 13 87 - 15 - 4972/3.7=2, 4983/3.7=2...(5) Peak 4959 from cnoeabs.peaks (2.38, 5.67, 54.09 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.98: HG2 GLN 58 + HA GLU 49 OK 98 99 - 99 - 5295=50, 1.8/5294=43...(27) Peak 4960 from cnoeabs.peaks (1.33, 5.67, 54.09 ppm; 6.12 A): 1 out of 8 assignments used, quality = 0.96: HB VAL 50 + HA GLU 49 OK 96 100 - 96 - 2.1/5034=50, 4.0/211=50...(12) HG3 ARG 45 - HA GLU 49 OK 23 96 - 24 - ~4968=4, ~4986=4...(8) QB ALA 60 - HA GLU 49 OK 22 83 - 27 - 5343/5336=17...(3) HB2 LYS 26 - HA GLU 49 OK 21 81 - 26 - 729/3.6=6, 2493/5034=3...(11) HG3 LYS 91 - HA GLU 49 lone 8 81 - 10 - 5316/5336=1, ~6183=1, 729/3.6=1 HG2 LYS 91 - HA GLU 49 lone 8 81 - 10 - 5316/5336=1, ~6183=1, 729/3.6=1 QB ALA 86 - HA GLU 49 lone 7 97 - 7 - QB ALA 89 - HA GLU 49 lone 3 68 - 5 - Peak 4961 from cnoeabs.peaks (0.81, 5.67, 54.09 ppm; 4.85 A): 3 out of 8 assignments used, quality = 0.99: QG2 ILE 35 + HA GLU 49 OK 94 97 - 97 - 3.1/4729=31, 4714/3.0=19...(40) QG1 VAL 47 + HA GLU 49 OK 75 98 - 76 - 5978/5336=10...(26) HG3 LYS 68 + HA GLU 49 OK 52 97 - 54 - 4955/3.0=8, 4969/3.0=7...(18) QG2 VAL 47 - HA GLU 49 OK 40 63 - 64 - 3.9/4930=7, ~4955=6...(25) QD1 LEU 23 - HA GLU 49 OK 20 71 - 29 - 5006/5032=4, 4969/3.0=4...(12) QD2 LEU 85 - HA GLU 49 OK 14 73 - 19 - ~5958=2, 4964/3.0=2...(7) QD2 LEU 79 - HA GLU 49 OK 11 63 - 17 - 6176/3.6=2, 4964/3.0=1...(7) QD2 LEU 73 - HA GLU 49 poor 10 65 - 15 - 4955/3.0=2, ~206=2...(5) Peak 4962 from cnoeabs.peaks (0.68, 5.67, 54.09 ppm; 4.16 A): 3 out of 3 assignments used, quality = 0.87: QG1 VAL 50 + HA GLU 49 OK 82 95 - 87 - 5034=47, 4.0/211=33...(17) HG3 LYS 64 + HA GLU 49 OK 15 78 - 19 - 730/3.6=5, 5662/5640=2...(8) QD2 LEU 12 + HA GLU 49 OK 14 81 - 17 - 4956/3.0=7, ~4966=2...(4) Peak 4963 from cnoeabs.peaks (0.64, 1.84, 35.84 ppm; 3.89 A): 2 out of 2 assignments used, quality = 0.88: QD1 ILE 35 + HB2 GLU 49 OK 84 90 - 93 - 4970/1.8=28, 2.1/4986=24...(33) QD2 LEU 12 + HB2 GLU 49 OK 23 65 - 35 - 4970/1.8=8, 4978/3.0=7...(10) Peak 4964 from cnoeabs.peaks (0.81, 1.84, 35.84 ppm; 4.22 A): 3 out of 8 assignments used, quality = 0.98: QG2 ILE 35 + HB2 GLU 49 OK 91 97 - 94 - 3.1/4963=26, 3.2/4986=23...(35) QG1 VAL 47 + HB2 GLU 49 OK 61 98 - 62 - 4969/1.8=8, 4837/4963=7...(24) HG3 LYS 68 + HB2 GLU 49 OK 54 97 - 56 - 4969/1.8=7, 4977/3.0=6...(22) QG2 VAL 47 - HB2 GLU 49 OK 34 63 - 54 - ~4969=5, 2.1/2462=5...(21) QD1 LEU 23 - HB2 GLU 49 OK 20 71 - 28 - 4969/1.8=4, ~1608=3...(10) QD2 LEU 85 - HB2 GLU 49 OK 13 73 - 17 - 2.1/5958=3, 4.7/399=2...(8) QD2 LEU 79 - HB2 GLU 49 OK 11 63 - 18 - 4.8/4934=3, 6176/4.3=2...(6) QD2 LEU 73 - HB2 GLU 49 poor 8 65 - 11 - 4955/3.7=1, 6147=1, 4969/1.8=1 Peak 4965 from cnoeabs.peaks (1.50, 2.02, 35.84 ppm; 4.77 A): 3 out of 13 assignments used, quality = 0.95: HB2 LYS 56 + HB3 GLU 49 OK 67 100 - 67 - 4.6/4937=9, 1.8/4966=8...(24) QB ALA 71 + HB3 GLU 49 OK 61 87 - 71 - 5640/3.0=34, 5624/4.3=21...(10) HG LEU 34 + HB3 GLU 49 OK 60 95 - 64 - 2.1/4967=8, 5.1/4937=6...(27) HD2 LYS 17 - HB3 GLU 49 OK 29 99 - 29 - 4988/1.8=3, 3.0/4967=3...(13) HD3 LYS 17 - HB3 GLU 49 OK 29 99 - 29 - 4988/1.8=3, 3.0/4967=3...(13) QB ALA 72 - HB3 GLU 49 OK 20 98 - 21 - 6102=4, 6102/3.0=4...(4) HB2 LEU 85 - HB3 GLU 49 OK 19 97 - 19 - 4988/1.8=2, ~5958=2...(8) HG2 GLU 37 - HB3 GLU 49 OK 18 100 - 18 - 2185/1.8=3, 4957/3.0=2...(7) HD3 LYS 64 - HB3 GLU 49 OK 18 78 - 23 - ~4962=3, 5439/3.0=3...(11) HB2 ARG 45 - HB3 GLU 49 OK 17 99 - 17 - 2.9/4968=4, ~4986=3...(6) HB3 LYS 26 - HB3 GLU 49 OK 15 90 - 17 - ~4960=2, 4988/1.8=2...(8) HG3 ARG 27 - HB3 GLU 49 OK 13 90 - 14 - 4536/4.3=3, 3.9/3965=2...(6) HG LEU 79 - HB3 GLU 49 OK 11 65 - 17 - 5.0/4938=2, 2.1/5848=2...(8) Peak 4966 from cnoeabs.peaks (1.36, 2.02, 35.84 ppm; 4.93 A): 4 out of 12 assignments used, quality = 0.93: HG2 LYS 68 + HB3 GLU 49 OK 60 100 - 61 - 1.8/4969=9, 4980/3.0=7...(19) HB3 LYS 56 + HB3 GLU 49 OK 59 92 - 64 - 4.6/4937=9, 4980/3.0=8...(19) HB3 LEU 12 + HB3 GLU 49 OK 36 95 - 39 - 3.1/4970=9, ~4963=6...(10) HD3 LYS 56 + HB3 GLU 49 OK 29 57 - 50 - 3.4/4965=6, 4974/3.0=5...(19) HB2 LYS 64 - HB3 GLU 49 OK 21 100 - 21 - 4980/3.0=3, 6183/3.7=3...(9) HG2 LYS 44 - HB3 GLU 49 OK 17 99 - 17 - 1.8/4968=4, ~4986=3...(5) QB ALA 67 - HB3 GLU 49 OK 17 99 - 17 - 6183/3.7=7, 4980/3.0=3...(5) QB ALA 69 - HB3 GLU 49 poor 9 78 - 11 - 4980/3.0=2, 6183/3.7=1...(4) HG2 LYS 91 - HB3 GLU 49 lone 5 96 - 5 - HG3 LYS 91 - HB3 GLU 49 lone 5 96 - 5 - QB ALA 86 - HB3 GLU 49 lone 3 78 - 4 - QB ALA 89 - HB3 GLU 49 lone 3 99 - 3 - Peak 4967 from cnoeabs.peaks (1.22, 2.02, 35.84 ppm; 4.54 A): 4 out of 9 assignments used, quality = 1.00: HG13 ILE 35 + HB3 GLU 49 OK 97 99 - 97 - 2.1/4970=33, 1.8/4968=31...(33) QD1 LEU 34 + HB3 GLU 49 OK 63 99 - 63 - 4700/3.7=9, 4680/1.8=7...(30) HD2 LYS 68 + HB3 GLU 49 OK 56 100 - 57 - 3.0/4966=7, 3.0/4969=6...(25) HD3 LYS 68 + HB3 GLU 49 OK 56 100 - 57 - 3.0/4966=7, 3.0/4969=6...(25) HG2 LYS 17 - HB3 GLU 49 OK 24 90 - 27 - 4700/3.7=3, 3.0/4965=2...(12) HG3 LYS 26 - HB3 GLU 49 OK 11 89 - 13 - 4953/3.7=2, ~4960=1, 2.9/4965=1 HB2 LEU 79 - HB3 GLU 49 poor 10 60 - 16 - 4.0/4938=2, 3.1/5848=2...(5) QG2 THR 83 - HB3 GLU 49 lone 8 97 - 8 - 4.2/3532=2, 4.2/3525=1 HG2 LYS 14 - HB3 GLU 49 lone 2 81 - 2 - Peak 4968 from cnoeabs.peaks (1.15, 2.02, 35.84 ppm; 4.61 A): 1 out of 3 assignments used, quality = 0.95: HG12 ILE 35 + HB3 GLU 49 OK 95 97 - 98 - 4986/1.8=34, 2.1/4970=34...(35) HG2 ARG 45 - HB3 GLU 49 OK 13 83 - 15 - 4986/1.8=4, 6182/3.7=3...(5) HG3 LYS 44 - HB3 GLU 49 OK 10 71 - 15 - 4986/1.8=3, 6182/3.7=2...(5) Peak 4969 from cnoeabs.peaks (0.81, 2.02, 35.84 ppm; 4.11 A): 3 out of 8 assignments used, quality = 0.98: QG2 ILE 35 + HB3 GLU 49 OK 91 97 - 94 - 3.1/4970=24, 3.2/4968=20...(36) QG1 VAL 47 + HB3 GLU 49 OK 56 98 - 57 - 4964/1.8=8, 4837/4970=6...(21) HG3 LYS 68 + HB3 GLU 49 OK 52 97 - 53 - 4964/1.8=7, 1.8/4966=6...(19) QG2 VAL 47 - HB3 GLU 49 OK 31 63 - 50 - ~4964=5, 2.1/2468=5...(20) QD1 LEU 23 - HB3 GLU 49 OK 25 71 - 36 - 2.1/1608=5, 3.1/1594=4...(16) QD2 LEU 85 - HB3 GLU 49 OK 11 73 - 15 - ~5958=2, 4964/1.8=2...(6) QD2 LEU 79 - HB3 GLU 49 OK 10 63 - 16 - 2.1/5848=2, 4.8/4938=2...(5) QD2 LEU 73 - HB3 GLU 49 poor 7 65 - 11 - 4955/3.7=1, 6147/1.8=1 Peak 4970 from cnoeabs.peaks (0.64, 2.02, 35.84 ppm; 3.96 A): 2 out of 2 assignments used, quality = 0.89: QD1 ILE 35 + HB3 GLU 49 OK 86 90 - 95 - 4963/1.8=30, 2.1/4968=22...(35) QD2 LEU 12 + HB3 GLU 49 OK 24 65 - 37 - 4963/1.8=8, 4978/3.0=8...(10) Peak 4971 from cnoeabs.peaks (1.51, 2.02, 38.62 ppm; 4.46 A): 4 out of 14 assignments used, quality = 0.97: HB2 LYS 56 + HG2 GLU 49 OK 68 99 - 69 - 1.8/4974=11, 3.0/4948=10...(23) HG LEU 34 + HG2 GLU 49 OK 58 99 - 59 - 5.1/4935=7, 4988/3.0=5...(26) QB ALA 71 + HG2 GLU 49 OK 57 95 - 60 - 5640/3.7=29...(11) HD2 LYS 56 + HG2 GLU 49 OK 40 71 - 57 - 1.8/4974=9, 3.4/4974=8...(20) HD2 LYS 17 - HG2 GLU 49 OK 28 100 - 28 - 3.0/4975=2, 4988/3.0=2...(12) HD3 LYS 17 - HG2 GLU 49 OK 28 100 - 28 - 3.0/4975=2, 4988/3.0=2...(12) QB ALA 72 - HG2 GLU 49 OK 18 93 - 19 - 6102=4, 6102/3.0=3...(5) HD3 LYS 64 - HG2 GLU 49 OK 17 89 - 19 - 5439/1.8=3, ~5438=2...(9) HB2 LEU 85 - HG2 GLU 49 OK 17 99 - 17 - 4988/3.0=2, 4965/3.0=1...(8) HG2 GLU 37 - HG2 GLU 49 OK 16 100 - 15 - 2185/3.0=2, 4965/3.0=1...(7) HB3 LYS 26 - HG2 GLU 49 OK 12 97 - 13 - 4988/3.0=1, 4965/3.0=1...(5) HB2 ARG 45 - HG2 GLU 49 OK 12 100 - 12 - ~4968=2, ~4986=2...(6) HG3 ARG 27 - HG2 GLU 49 OK 11 97 - 12 - 3.9/3966=1, 4988/3.0=1 HB3 LEU 87 - HG2 GLU 49 lone 6 71 - 8 - 3.9/4936=1 Peak 4972 from cnoeabs.peaks (2.26, 2.02, 38.62 ppm; 4.23 A): 2 out of 3 assignments used, quality = 0.95: HG3 GLN 58 + HG2 GLU 49 OK 79 87 - 91 - 1.8/4973=38, 5294/3.7=24...(20) HB2 PRO 84 + HG2 GLU 49 OK 75 100 - 75 - 4983/1.8=13, 1.8/2471=9...(38) HG3 MET 11 - HG2 GLU 49 OK 13 99 - 13 - 4983/1.8=3, 4958/3.7=2 Peak 4973 from cnoeabs.peaks (2.39, 2.02, 38.62 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.91: HG2 GLN 58 + HG2 GLU 49 OK 91 100 - 92 - 4984/1.8=30, 5295/3.7=26...(26) Peak 4974 from cnoeabs.peaks (1.38, 2.02, 38.62 ppm; 4.25 A): 7 out of 10 assignments used, quality = 0.94: HB3 LYS 56 + HG2 GLU 49 OK 58 99 - 59 - 3.0/4948=9, 4.6/4935=8...(20) HD3 LYS 56 + HG2 GLU 49 OK 47 98 - 48 - 5.3/4948=6, 3.4/4971=5...(21) HG2 LYS 68 + HG2 GLU 49 OK 43 90 - 48 - 1.8/4977=7, 4980/1.8=6...(19) HB3 LEU 12 + HG2 GLU 49 OK 30 99 - 30 - 3.1/4978=9, ~4982=6...(9) HB2 LYS 64 + HG2 GLU 49 OK 12 78 - 15 - 4980/1.8=2, ~5431=2...(8) HG2 LYS 44 + HG2 GLU 49 OK 12 93 - 12 - ~4968=2, 4980/1.8=2...(5) QB ALA 67 + HG2 GLU 49 OK 11 95 - 12 - 6183/5.0=3, 4980/1.8=2 QB ALA 69 - HG2 GLU 49 lone 10 100 - 10 - 4980/1.8=1, 5574/3.0=1 HG2 LYS 31 - HG2 GLU 49 lone 1 73 - 2 - QB ALA 89 - HG2 GLU 49 lone 1 63 - 2 - Peak 4975 from cnoeabs.peaks (1.25, 2.02, 38.62 ppm; 4.75 A): 5 out of 9 assignments used, quality = 0.95: HG13 ILE 35 + HG2 GLU 49 OK 68 71 - 97 - 1.8/4976=33, 2.1/4978=31...(34) HB3 LEU 23 + HG2 GLU 49 OK 43 100 - 43 - 1594=5, 1594/3.0=5...(19) HG3 LYS 56 + HG2 GLU 49 OK 41 71 - 59 - 4.0/4948=10, 2.9/4974=10...(16) HD3 LYS 68 + HG2 GLU 49 OK 35 63 - 56 - 3.0/4974=7, 3.0/4977=7...(22) HD2 LYS 68 + HG2 GLU 49 OK 33 60 - 56 - 3.0/4974=7, 3.0/4977=7...(22) HG3 LYS 17 - HG2 GLU 49 OK 23 90 - 25 - 4.9/4935=3, 3.0/4971=3...(11) HG2 LYS 17 - HG2 GLU 49 OK 21 90 - 23 - 4.9/4935=3, 3.0/4971=3...(9) HB2 LEU 79 - HG2 GLU 49 OK 19 100 - 19 - 4.0/4936=4, 4987/3.0=2...(5) HG3 LYS 65 - HG2 GLU 49 lone 5 98 - 5 - Peak 4976 from cnoeabs.peaks (1.14, 2.02, 38.62 ppm; 4.96 A): 1 out of 2 assignments used, quality = 0.97: HG12 ILE 35 + HG2 GLU 49 OK 97 99 - 98 - 2.1/4978=32, 4986/3.0=24...(36) QG1 VAL 66 - HG2 GLU 49 OK 12 85 - 14 - 2149/4978=1, 5278/4973=1 Peak 4977 from cnoeabs.peaks (0.81, 2.02, 38.62 ppm; 4.41 A): 3 out of 8 assignments used, quality = 0.99: QG2 ILE 35 + HG2 GLU 49 OK 91 97 - 94 - 3.1/4978=23, 3.2/4976=23...(39) QG1 VAL 47 + HG2 GLU 49 OK 61 98 - 62 - 6193/4973=8, 4981/1.8=8...(22) HG3 LYS 68 + HG2 GLU 49 OK 57 97 - 59 - 1.8/4974=8, 4981/1.8=7...(23) QG2 VAL 47 - HG2 GLU 49 OK 33 63 - 52 - ~4981=5, 4981/1.8=5...(21) QD1 LEU 23 - HG2 GLU 49 OK 25 71 - 36 - 2.1/1608=4, 3.1/4975=4...(16) QD2 LEU 85 - HG2 GLU 49 OK 13 73 - 17 - 4981/1.8=2, ~5958=2...(7) QD2 LEU 79 - HG2 GLU 49 OK 12 63 - 19 - 4.8/4936=3, 3.1/4975=2...(6) QD2 LEU 73 - HG2 GLU 49 poor 8 65 - 12 - 4981/1.8=1, 6147/3.0=1 Peak 4978 from cnoeabs.peaks (0.65, 2.02, 38.62 ppm; 4.20 A): 1 out of 2 assignments used, quality = 0.96: QD1 ILE 35 + HG2 GLU 49 OK 96 99 - 96 - 4963/3.0=25, 2.1/4976=24...(36) QD2 LEU 12 - HG2 GLU 49 OK 39 89 - 44 - 4982/1.8=10, 4963/3.0=7...(12) Peak 4979 from cnoeabs.peaks (1.51, 1.93, 38.62 ppm; 5.09 A): 4 out of 16 assignments used, quality = 0.98: QB ALA 71 + HG3 GLU 49 OK 71 99 - 71 - 5640/3.7=37, 5625/5.0=13...(13) HB2 LYS 56 + HG3 GLU 49 OK 70 96 - 73 - 4.6/4940=10, ~4948=10...(23) HG LEU 34 + HG3 GLU 49 OK 62 100 - 62 - 3.0/6035=8, 5.1/4940=8...(20) HD2 LYS 56 + HG3 GLU 49 OK 50 85 - 59 - ~4974=8, 3.4/4980=7...(20) HD2 LYS 17 - HG3 GLU 49 OK 34 100 - 34 - 4971/1.8=3, 4988/3.0=3...(15) HD3 LYS 17 - HG3 GLU 49 OK 34 100 - 34 - 4971/1.8=3, 4988/3.0=3...(15) HD3 LYS 64 - HG3 GLU 49 OK 30 97 - 31 - 5439=4, 3.8/4980=3...(12) HB2 LEU 85 - HG3 GLU 49 OK 21 100 - 21 - 4971/1.8=2, 4988/3.0=2...(8) HG2 GLU 37 - HG3 GLU 49 OK 19 97 - 20 - 2185/3.0=3, 4971/1.8=2...(8) QB ALA 72 - HG3 GLU 49 OK 17 83 - 20 - 6102/1.8=4, 6102/3.0=3...(5) HB3 LYS 26 - HG3 GLU 49 OK 16 100 - 16 - 4951/5.0=2, 4988/3.0=1...(5) HB2 ARG 45 - HG3 GLU 49 OK 16 100 - 16 - ~4968=2, ~4986=2...(6) HG3 ARG 27 - HG3 GLU 49 OK 15 100 - 15 - 3.9/3967=2, 4971/1.8=1...(6) HB3 LYS 44 - HG3 GLU 49 OK 10 63 - 17 - 2.9/4980=2, ~4968=2...(5) HB3 LEU 87 - HG3 GLU 49 poor 9 85 - 11 - 3.9/4941=2 HG LEU 30 - HG3 GLU 49 lone 5 65 - 8 - ~6077=1, 4991/3967=1 Peak 4980 from cnoeabs.peaks (1.37, 1.93, 38.62 ppm; 4.63 A): 4 out of 12 assignments used, quality = 0.94: HB3 LYS 56 + HG3 GLU 49 OK 62 97 - 64 - 4974/1.8=9, 4.6/4940=9...(18) HG2 LYS 68 + HG3 GLU 49 OK 60 100 - 61 - 5551=7, 1.8/4981=7...(22) HB3 LEU 12 + HG3 GLU 49 OK 37 99 - 37 - 3.1/4982=10, ~4978=7...(9) HD3 LYS 56 + HG3 GLU 49 OK 35 71 - 49 - 4974/1.8=7, 3.4/5213=6...(16) HB2 LYS 64 - HG3 GLU 49 OK 27 99 - 27 - 5430=4, 3.8/5439=3...(10) QB ALA 67 - HG3 GLU 49 OK 25 100 - 25 - 6183/5.0=5, 3.7/5535=2...(9) HG2 LYS 44 - HG3 GLU 49 OK 17 100 - 17 - ~4968=2, 4966/3.0=2...(5) QB ALA 69 - HG3 GLU 49 OK 13 89 - 14 - 4.4/5539=2, 4974/1.8=2 HG2 LYS 91 - HG3 GLU 49 lone 4 89 - 4 - HG3 LYS 91 - HG3 GLU 49 lone 4 89 - 4 - QB ALA 86 - HG3 GLU 49 lone 3 65 - 5 - 3.7/4941=2 QB ALA 89 - HG3 GLU 49 lone 3 96 - 3 - Peak 4981 from cnoeabs.peaks (0.82, 1.93, 38.62 ppm; 4.79 A): 4 out of 7 assignments used, quality = 1.00: QG2 ILE 35 + HG3 GLU 49 OK 96 100 - 96 - 3.1/4982=24, ~4976=19...(38) QG1 VAL 47 + HG3 GLU 49 OK 69 100 - 69 - 4977/1.8=9, 6193/4984=8...(23) HG3 LYS 68 + HG3 GLU 49 OK 60 90 - 67 - 1.8/4980=9, 4977/1.8=8...(25) QG2 VAL 47 + HG3 GLU 49 OK 47 78 - 60 - ~4977=6, ~4964=5...(24) QD2 LEU 85 - HG3 GLU 49 OK 16 87 - 19 - 4977/1.8=2, ~5958=2...(8) QD2 LEU 73 - HG3 GLU 49 OK 11 81 - 13 - 6147/3.0=1, 4955/5.0=1...(4) QD2 LEU 87 - HG3 GLU 49 lone 6 71 - 8 - 4.7/4941=2 Peak 4982 from cnoeabs.peaks (0.65, 1.93, 38.62 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.97: QD1 ILE 35 + HG3 GLU 49 OK 97 99 - 97 - 4978/1.8=31, 4729/3.7=28...(36) QD2 LEU 12 - HG3 GLU 49 OK 42 89 - 47 - 4978/1.8=13, 4963/3.0=8...(12) Peak 4983 from cnoeabs.peaks (2.26, 1.93, 38.62 ppm; 4.74 A): 2 out of 3 assignments used, quality = 0.98: HG3 GLN 58 + HG3 GLU 49 OK 90 95 - 95 - 1.8/4984=38, ~4973=33...(22) HB2 PRO 84 + HG3 GLU 49 OK 77 99 - 78 - 4972/1.8=20, 4958/3.7=10...(33) HG3 MET 11 - HG3 GLU 49 OK 15 96 - 15 - 4972/1.8=4, 4958/3.7=2...(4) Peak 4984 from cnoeabs.peaks (2.40, 1.93, 38.62 ppm; 4.90 A): 1 out of 1 assignment used, quality = 0.94: HG2 GLN 58 + HG3 GLU 49 OK 94 98 - 96 - 4973/1.8=46, 5295/3.7=33...(24) Peak 4985 from cnoeabs.peaks (2.37, 1.84, 35.84 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.94: HG2 GLN 58 + HB2 GLU 49 OK 92 95 - 98 - 4959/3.0=33, 4973/3.0=29...(29) HG3 MET 48 + HB2 GLU 49 OK 22 60 - 36 - 208/3.7=17, 3.3/2462=3...(11) Peak 4986 from cnoeabs.peaks (1.15, 1.84, 35.84 ppm; 4.38 A): 2 out of 3 assignments used, quality = 0.94: HG12 ILE 35 + HB2 GLU 49 OK 94 97 - 96 - 2.1/4963=33, 4968/1.8=29...(31) HG2 ARG 45 + HB2 GLU 49 OK 11 83 - 13 - 4968/1.8=4, 6182/3.7=2...(4) HG3 LYS 44 - HB2 GLU 49 poor 9 71 - 12 - 4968/1.8=3, 6182/3.7=2...(5) Peak 4987 from cnoeabs.peaks (1.24, 1.84, 35.84 ppm; 4.28 A): 3 out of 9 assignments used, quality = 0.97: HG13 ILE 35 + HB2 GLU 49 OK 89 93 - 95 - 2.1/4963=32, 1.8/4986=31...(30) HD3 LYS 68 + HB2 GLU 49 OK 45 89 - 51 - 3.0/4964=6, ~4967=4...(25) HD2 LYS 68 + HB2 GLU 49 OK 44 87 - 51 - 3.0/4964=6, ~4967=4...(25) QD1 LEU 34 - HB2 GLU 49 OK 33 65 - 51 - 2.1/4678=6, 4700/3.7=5...(22) HB3 LEU 23 - HB2 GLU 49 OK 29 90 - 32 - 1594/1.8=5, 4975/3.0=4...(15) HG2 LYS 17 - HB2 GLU 49 OK 21 100 - 21 - 3.0/4988=2, 3.0/4988=2...(9) HB2 LEU 79 - HB2 GLU 49 OK 15 99 - 15 - 4.0/4934=3, 4975/3.0=2...(5) HG3 LYS 17 - HB2 GLU 49 OK 12 65 - 19 - 3.0/4988=2, 3.0/4988=2...(8) HG3 LYS 65 - HB2 GLU 49 lone 2 83 - 3 - Peak 4988 from cnoeabs.peaks (1.51, 1.84, 35.84 ppm; 4.08 A): 4 out of 16 assignments used, quality = 0.92: QB ALA 71 + HB2 GLU 49 OK 61 99 - 61 - 5640/3.0=30, 5624/4.3=18...(9) HB2 LYS 56 + HB2 GLU 49 OK 46 96 - 48 - ~4974=5, 4965/1.8=5...(19) HG LEU 34 + HB2 GLU 49 OK 46 100 - 46 - 2.1/4680=6, 2.1/4678=6...(18) HD2 LYS 56 + HB2 GLU 49 OK 32 85 - 38 - ~4974=4, ~4966=3...(18) HD3 LYS 17 - HB2 GLU 49 OK 22 100 - 22 - 4965/1.8=2, 3.0/4987=2...(13) HD2 LYS 17 - HB2 GLU 49 OK 22 100 - 22 - 4965/1.8=2, 3.0/4987=2...(13) HG2 GLU 37 - HB2 GLU 49 OK 17 97 - 17 - 2185=3, 1.8/2191=1...(7) HD3 LYS 64 - HB2 GLU 49 OK 16 97 - 17 - 5439/3.0=2, ~4962=2...(8) HB2 LEU 85 - HB2 GLU 49 OK 16 100 - 16 - 3.1/5958=2, 4.0/399=2...(6) HB2 ARG 45 - HB2 GLU 49 OK 13 100 - 13 - 2.9/4986=3, ~4968=2...(5) HB3 LYS 26 - HB2 GLU 49 OK 12 100 - 12 - 4991/4.3=1, 4951/3.7=1...(5) QB ALA 72 - HB2 GLU 49 OK 11 83 - 14 - 6102/1.8=3, 6102/3.0=3 HG3 ARG 27 - HB2 GLU 49 OK 11 100 - 11 - 4536/4.3=2, 3.9/3964=1...(4) HB3 LYS 44 - HB2 GLU 49 poor 6 63 - 10 - 2.9/4986=2, ~4968=2, ~4966=1 HB3 LEU 87 - HB2 GLU 49 lone 6 85 - 7 - 3.9/4934=1 HG LEU 30 - HB2 GLU 49 lone 4 65 - 6 - 4991/4.3=2 Peak 4997 from cnoeabs.peaks (4.95, 1.32, 35.93 ppm; 4.30 A): 1 out of 2 assignments used, quality = 0.94: HA TYR 32 + HB VAL 50 OK 94 100 - 94 - 5002/2.1=39, 6061/3.0=37...(13) HA LEU 34 - HB VAL 50 poor 8 68 - 12 - 4931/5029=3, ~5041=3...(4) Peak 4999 from cnoeabs.peaks (4.94, 0.70, 18.31 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.96: HA TYR 32 + QG1 VAL 50 OK 96 99 - 96 - 5002/2.1=45, 6061/3.2=42...(12) Peak 5000 from cnoeabs.peaks (4.67, 0.70, 18.31 ppm; 4.62 A): 3 out of 3 assignments used, quality = 0.94: HA PHE 57 + QG1 VAL 50 OK 79 92 - 86 - 3.7/5038=31, 2.9/5041=22...(14) HA LYS 56 + QG1 VAL 50 OK 66 99 - 67 - 3.6/5041=19, 5074/4.3=14...(16) HA ASN 90 + QG1 VAL 50 OK 18 100 - 17 - 5074/4.3=3, 5001/2.1=3...(7) Peak 5001 from cnoeabs.peaks (4.66, 0.26, 21.31 ppm; 4.85 A): 2 out of 5 assignments used, quality = 0.96: HA PHE 57 + QG2 VAL 50 OK 86 98 - 88 - 3.7/5046=20, 5000/2.1=19...(17) HA LYS 56 + QG2 VAL 50 OK 70 100 - 70 - 3.6/5249=17, 5000/2.1=16...(14) HA GLU 33 - QG2 VAL 50 OK 42 60 - 69 - 2.9/4649=36, ~6062=20...(10) HA ASN 90 - QG2 VAL 50 OK 19 99 - 19 - 5000/2.1=4, 5074/4.3=3...(6) HA HIS 42 - QG2 VAL 50 lone 1 60 - 2 - Peak 5002 from cnoeabs.peaks (4.94, 0.26, 21.31 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.90: HA TYR 32 + QG2 VAL 50 OK 90 100 - 90 - 6061/3.2=32, 4997/2.1=30...(13) Peak 5003 from cnoeabs.peaks (4.23, 0.26, 21.31 ppm; 4.35 A): 2 out of 6 assignments used, quality = 0.98: HA LEU 30 + QG2 VAL 50 OK 96 100 - 96 - 3.0/4582=34, 3.0/4581=32...(16) HA ASP 53 + QG2 VAL 50 OK 61 97 - 63 - 4.8/5116=15, 4580=13...(18) HA LEU 87 - QG2 VAL 50 OK 35 90 - 38 - 4580=8, 1912/4586=4...(15) HA LYS 78 - QG2 VAL 50 poor 8 60 - 13 - 5053/4.3=2, 5812/4585=1...(4) HA ALA 89 - QG2 VAL 50 lone 7 71 - 10 - 1912/4586=1, 1905/4585=1...(5) HA3 GLY 40 - QG2 VAL 50 lone 3 83 - 4 - Peak 5004 from cnoeabs.peaks (3.96, 0.26, 21.31 ppm; 5.55 A): 3 out of 7 assignments used, quality = 0.99: HA ALA 72 + QG2 VAL 50 OK 90 100 - 90 - 5671=46, 2.1/5675=37...(16) HA ALA 71 + QG2 VAL 50 OK 80 100 - 80 - 2.1/5663=33, ~5662=27...(14) HA LEU 76 + QG2 VAL 50 OK 46 76 - 61 - 5.0/6109=28, 4.0/2499=8...(17) HA GLU 25 - QG2 VAL 50 OK 20 98 - 20 - ~5039=5, 5017/2.1=4...(7) HA PRO 19 - QG2 VAL 50 OK 14 73 - 19 - 4365/6109=3, 5017/2.1=2...(9) HA3 GLY 16 - QG2 VAL 50 lone 7 98 - 7 - 4996/4.0=1, 5017/2.1=1 HB3 SER 62 - QG2 VAL 50 lone 2 68 - 4 - Peak 5005 from cnoeabs.peaks (2.82, 0.26, 21.31 ppm; 5.70 A): 3 out of 5 assignments used, quality = 0.97: HB3 PHE 57 + QG2 VAL 50 OK 85 89 - 95 - ~5038=36, 2.5/5046=32...(18) HE2 LYS 56 + QG2 VAL 50 OK 58 100 - 59 - 5052/4.3=10, ~5015=10...(18) HE3 LYS 56 + QG2 VAL 50 OK 58 98 - 59 - 5052/4.3=10, ~5015=9...(18) HB2 ASN 90 - QG2 VAL 50 OK 16 97 - 17 - 3.0/5001=4, ~5000=3...(4) HE2 LYS 17 - QG2 VAL 50 poor 7 71 - 10 - 4616/5048=1, 3.0/5018=1 Peak 5006 from cnoeabs.peaks (0.81, 1.32, 35.93 ppm; 5.10 A): 4 out of 6 assignments used, quality = 0.80: QD1 LEU 23 + HB VAL 50 OK 64 83 - 78 - 4481/2.1=36, ~4480=34...(11) HG3 LYS 68 + HB VAL 50 OK 26 100 - 26 - 5528/5031=11...(7) QG1 VAL 47 + HB VAL 50 OK 15 93 - 16 - 3.2/4829=2, 4961/5032=2...(7) QG2 ILE 35 + HB VAL 50 OK 11 90 - 12 - 4714/5029=3, 4961/5032=3 QD2 LEU 79 - HB VAL 50 poor 10 76 - 13 - 6176/4.0=3, 5873/5030=2, ~6039=1 QD2 LEU 85 - HB VAL 50 lone 6 60 - 9 - 2.1/5007=1, ~5023=1...(4) Peak 5007 from cnoeabs.peaks (0.91, 1.32, 35.93 ppm; 4.33 A): 3 out of 7 assignments used, quality = 0.99: HB3 LEU 30 + HB VAL 50 OK 88 96 - 92 - 4582/2.1=39, ~4581=27...(19) QD2 LEU 23 + HB VAL 50 OK 78 100 - 78 - 4480/2.1=40, ~4481=23...(12) HD3 LYS 26 + HB VAL 50 OK 46 96 - 48 - 5023/2.1=6, 5024/2.1=6...(16) QG2 VAL 52 - HB VAL 50 OK 37 60 - 62 - ~5131=16, ~5116=14...(10) QD1 LEU 76 - HB VAL 50 OK 21 60 - 36 - 2.1/2489=7, ~2499=5...(13) QD1 LEU 87 - HB VAL 50 OK 13 89 - 15 - 5023/2.1=3, ~6038=2...(5) QD1 LEU 85 - HB VAL 50 poor 9 83 - 10 - 5023/2.1=1, 2.1/5006=1...(4) Peak 5008 from cnoeabs.peaks (1.51, 1.32, 35.93 ppm; 4.21 A): 4 out of 16 assignments used, quality = 0.97: QB ALA 71 + HB VAL 50 OK 75 99 - 76 - 5662/2.1=28, 5663/2.1=23...(13) HG LEU 30 + HB VAL 50 OK 57 65 - 87 - ~4586=28, ~4585=28...(15) QB ALA 72 + HB VAL 50 OK 54 83 - 65 - ~5671=18, 5675/2.1=17...(9) HB3 LYS 26 + HB VAL 50 OK 46 100 - 47 - ~2498=5, ~2493=5, 1690=4...(19) HD3 LYS 64 - HB VAL 50 OK 31 97 - 31 - 2882/2.1=7, 2.9/2489=6...(10) HB2 LYS 56 - HB VAL 50 OK 25 96 - 26 - ~5000=7, ~5001=5...(8) HG3 ARG 27 - HB VAL 50 OK 24 100 - 24 - ~5016=3, 5018/2.1=3...(10) HD2 LYS 56 - HB VAL 50 OK 19 85 - 22 - ~5015=5, ~5005=4...(8) HB3 LEU 87 - HB VAL 50 OK 16 85 - 19 - ~4580=3, ~5003=3...(8) HG LEU 34 - HB VAL 50 OK 16 100 - 16 - ~4677=3, 5025/2.1=2...(6) HB2 LEU 85 - HB VAL 50 OK 11 100 - 10 - 5018/2.1=1, 3.1/5006=1 HB2 ARG 45 - HB VAL 50 OK 10 100 - 10 - HD2 LYS 17 - HB VAL 50 lone 10 100 - 9 - 5025/2.1=1 HD3 LYS 17 - HB VAL 50 lone 10 100 - 9 - 5025/2.1=1 HG2 GLU 37 - HB VAL 50 lone 6 97 - 6 - HB3 LYS 44 - HB VAL 50 lone 3 63 - 4 - Peak 5010 from cnoeabs.peaks (2.51, 1.32, 35.93 ppm; 5.46 A): 3 out of 4 assignments used, quality = 1.00: HB2 TYR 32 + HB VAL 50 OK 99 100 - 99 - 3.0/4997=40, 2.5/5030=37...(16) HE2 LYS 26 + HB VAL 50 OK 47 99 - 47 - 3.0/5007=7, ~6038=6...(15) HE3 LYS 26 + HB VAL 50 OK 46 98 - 47 - 3.0/5007=7, ~6038=6...(15) HG2 MET 48 - HB VAL 50 OK 38 83 - 46 - 4858/2.1=7, 4912/5030=7...(12) Peak 5012 from cnoeabs.peaks (1.78, 0.70, 18.31 ppm; 4.40 A): 5 out of 15 assignments used, quality = 0.95: QB ALA 74 + QG1 VAL 50 OK 61 99 - 61 - 5719=16, 3.4/5039=13...(16) HB2 LYS 31 + QG1 VAL 50 OK 47 100 - 47 - 4604/2.1=21, 4597/5037=5...(11) HG2 GLU 51 + QG1 VAL 50 OK 44 71 - 62 - 3.9/5033=17, ~5065=17...(8) HG3 GLU 51 + QG1 VAL 50 OK 42 68 - 62 - 3.9/5033=17, ~5065=17...(8) HB2 ARG 27 + QG1 VAL 50 OK 32 99 - 33 - 3.5/5016=6, 4.2/5040=4...(12) HG LEU 76 - QG1 VAL 50 OK 30 71 - 43 - ~2499=6, ~2489=5...(15) HB2 MET 48 - QG1 VAL 50 OK 29 97 - 30 - 4.0/4869=6, 3.0/4858=5...(7) HB2 ARG 28 - QG1 VAL 50 OK 16 100 - 16 - 4.0/5040=4, 4.0/5016=2 HD3 LYS 78 - QG1 VAL 50 OK 15 100 - 15 - 4669/5038=2, 5020/2.1=2...(4) HB3 ARG 28 - QG1 VAL 50 OK 14 90 - 16 - 4.0/5040=4, 4.0/5016=2 HB2 LYS 91 - QG1 VAL 50 OK 11 97 - 11 - 5020/2.1=1 HG3 GLU 37 - QG1 VAL 50 OK 10 100 - 10 - HB2 LYS 65 - QG1 VAL 50 lone 9 100 - 9 - 3.8/295=2 HB2 LEU 73 - QG1 VAL 50 poor 8 60 - 13 - ~6039=2, ~6038=2...(4) QE MET 11 - QG1 VAL 50 lone 6 93 - 7 - Peak 5013 from cnoeabs.peaks (2.00, 0.70, 18.31 ppm; 4.39 A): 3 out of 10 assignments used, quality = 0.96: HB3 GLU 49 + QG1 VAL 50 OK 71 92 - 77 - 3.0/5034=34, 4.3/730=23...(12) HG2 GLU 49 + QG1 VAL 50 OK 65 95 - 69 - 3.7/5034=29, 4949/3.2=18...(11) HB2 LEU 23 + QG1 VAL 50 OK 61 95 - 65 - ~4480=20, ~4481=19...(13) HB2 LEU 34 - QG1 VAL 50 OK 20 99 - 20 - 3.1/4677=5, 4.0/5041=4...(7) HE3 LYS 68 - QG1 VAL 50 OK 16 90 - 17 - 5568/5036=7, 5567/5037=4 HB2 GLU 25 - QG1 VAL 50 OK 13 97 - 13 - 4.1/5039=4, 3.0/5017=3...(5) HB2 LYS 78 - QG1 VAL 50 OK 11 98 - 11 - 3.7/5012=1 HB3 PRO 19 - QG1 VAL 50 poor 10 85 - 12 - 2.3/5017=2, ~5021=1...(4) HB2 PRO 19 - QG1 VAL 50 poor 9 76 - 12 - 2.3/5017=2, 3.0/4353=1...(4) HG2 PRO 84 - QG1 VAL 50 lone 7 99 - 7 - 214/4.0=2, 2455/5034=2 Peak 5014 from cnoeabs.peaks (1.94, 0.70, 18.31 ppm; 4.92 A): 3 out of 13 assignments used, quality = 0.95: HG3 GLU 49 + QG1 VAL 50 OK 77 97 - 80 - 3.7/5034=35, 4950/3.2=25...(11) QE MET 48 + QG1 VAL 50 OK 56 99 - 56 - 4924/5036=13, 4869=9...(15) HB2 LEU 76 + QG1 VAL 50 OK 52 99 - 53 - ~2499=5, 3228=5...(22) HB2 GLU 33 - QG1 VAL 50 OK 37 100 - 37 - 4.1/4648=7, 4640/4999=7...(12) HB2 GLN 58 - QG1 VAL 50 OK 34 76 - 45 - 2.9/5035=24, 4.3/5041=10...(6) HB VAL 20 - QG1 VAL 50 OK 19 100 - 18 - ~4397=4, ~6039=3...(5) HB3 GLU 22 - QG1 VAL 50 OK 18 100 - 18 - 3.0/4465=3, 3.0/4462=3 HB VAL 47 - QG1 VAL 50 OK 18 99 - 18 - ~5006=3, 215/4.0=2...(6) HD2 LYS 78 - QG1 VAL 50 OK 13 89 - 14 - 215/4.0=2, 1.8/5012=2...(4) HG3 PRO 81 - QG1 VAL 50 OK 13 87 - 15 - 2.3/5016=4, 215/4.0=3 HG3 PRO 84 - QG1 VAL 50 OK 13 97 - 13 - 215/4.0=3, 2456/5034=2 HG2 PRO 19 - QG1 VAL 50 OK 13 78 - 16 - 3.8/5017=2, 2.3/4353=2...(5) HB2 GLU 77 - QG1 VAL 50 lone 8 81 - 10 - 4.0/362=2 Peak 5015 from cnoeabs.peaks (2.80, 0.70, 18.31 ppm; 3.35 A): 4 out of 4 assignments used, quality = 0.85: HB3 PHE 57 + QG1 VAL 50 OK 66 100 - 66 - 2.5/5038=24, 1.8/5016=16...(15) HE3 LYS 56 + QG1 VAL 50 OK 29 96 - 30 - 5258=4, 1.8/5258=3...(13) HE2 LYS 56 + QG1 VAL 50 OK 27 90 - 29 - 5258=4, 1.8/5258=4...(13) HB3 ASP 53 + QG1 VAL 50 OK 16 89 - 18 - 4.1/2491=6, ~5003=3...(5) Peak 5016 from cnoeabs.peaks (3.17, 0.70, 18.31 ppm; 3.74 A): 5 out of 5 assignments used, quality = 0.89: HB2 PHE 57 + QG1 VAL 50 OK 77 99 - 77 - 2.5/5038=30, 1.8/5015=20...(15) HD2 ARG 27 + QG1 VAL 50 OK 24 95 - 26 - 2.9/2491=3, 4995/4.0=3...(10) HB2 PHE 80 + QG1 VAL 50 OK 20 99 - 20 - 4.4/4727=3, 5886=3...(5) HD3 PRO 81 + QG1 VAL 50 OK 12 92 - 13 - 4995/4.0=2, 4566/5038=2 HD2 ARG 28 + QG1 VAL 50 OK 11 97 - 11 - 5.9/5040=2, 1854/5040=1 Peak 5017 from cnoeabs.peaks (3.97, 0.70, 18.31 ppm; 3.60 A): 4 out of 7 assignments used, quality = 0.90: HA ALA 72 + QG1 VAL 50 OK 64 99 - 65 - 5670=24, 5671/2.1=15...(13) HA ALA 71 + QG1 VAL 50 OK 60 100 - 61 - 2.1/5662=24, ~5663=12...(15) HA LEU 76 + QG1 VAL 50 OK 17 60 - 29 - 5.0/5763=5, 3.0/873=3...(11) HA GLU 25 + QG1 VAL 50 OK 12 100 - 12 - 3.0/5039=3, 1638/5039=1 HA PRO 19 - QG1 VAL 50 lone 8 87 - 9 - HA3 GLY 16 - QG1 VAL 50 lone 4 100 - 4 - HB3 SER 62 - QG1 VAL 50 lone 1 83 - 2 - Peak 5018 from cnoeabs.peaks (1.52, 0.26, 21.31 ppm; 4.10 A): 4 out of 16 assignments used, quality = 0.99: QB ALA 71 + QG2 VAL 50 OK 81 100 - 81 - 5662/2.1=28, 5624/4.0=20...(17) HG LEU 30 + QG2 VAL 50 OK 73 78 - 94 - 2.1/4585=42, 2.1/4586=40...(17) QB ALA 72 + QG2 VAL 50 OK 50 71 - 71 - 2.1/5671=21, 4.2/5663=13...(14) HB3 LYS 26 + QG2 VAL 50 OK 48 100 - 48 - 1.8/2498=8, 3.6/6038=6...(18) HB2 LYS 56 - QG2 VAL 50 OK 40 89 - 45 - 4.6/5249=10, 3.0/5001=8...(12) HG3 ARG 27 - QG2 VAL 50 OK 37 100 - 37 - ~5016=3, 3.9/2496=3...(20) HD2 LYS 56 - QG2 VAL 50 OK 32 93 - 34 - 5.3/5001=5, 3.0/5005=5...(12) HD3 LYS 64 - QG2 VAL 50 OK 32 99 - 32 - 2882/2.1=7, 2.9/2499=6...(10) HB3 LEU 87 - QG2 VAL 50 OK 24 93 - 25 - 3.0/5003=5, 3.1/6038=3...(10) HG LEU 34 - QG2 VAL 50 OK 18 100 - 18 - ~4677=3, 5025/2.1=2...(6) HB2 LEU 85 - QG2 VAL 50 OK 14 100 - 14 - 3.1/6038=1, 3.1/5023=1 HB2 ARG 45 - QG2 VAL 50 OK 11 98 - 11 - 6180/4602=2, 2.9/2498=2 HD2 LYS 17 - QG2 VAL 50 OK 11 98 - 11 - 5025/2.1=1 HD3 LYS 17 - QG2 VAL 50 OK 11 98 - 11 - 5025/2.1=1 HG2 GLU 37 - QG2 VAL 50 lone 8 90 - 9 - 3934/4602=2 HB3 LYS 44 - QG2 VAL 50 lone 6 76 - 8 - Peak 5019 from cnoeabs.peaks (1.67, 0.26, 21.31 ppm; 3.71 A): 3 out of 13 assignments used, quality = 0.97: HB2 LEU 30 + QG2 VAL 50 OK 82 89 - 92 - 1.8/4582=33, 4581=29...(18) HB3 GLU 51 + QG2 VAL 50 OK 72 98 - 73 - 3.9/220=27, 3.0/5049=18...(12) HD3 LYS 31 + QG2 VAL 50 OK 39 100 - 39 - 3.6/4604=12, 5.8/4602=11...(9) HD2 LYS 31 - QG2 VAL 50 OK 39 100 - 39 - 3.6/4604=12, 5.8/4602=11...(9) HB3 LYS 31 - QG2 VAL 50 OK 39 68 - 57 - 3.9/4602=20, 4.1/4609=13...(17) HB3 ARG 27 - QG2 VAL 50 OK 22 73 - 30 - 4544/4585=3, 4545/4586=2...(15) HB3 LEU 73 - QG2 VAL 50 OK 17 100 - 17 - 3180/4585=3, 3.1/6039=2...(5) HB3 LYS 91 - QG2 VAL 50 lone 10 95 - 10 - 735/4.3=1 HG2 LYS 78 - QG2 VAL 50 poor 9 65 - 14 - 5814/4585=1, 735/4.3=1 HG3 ARG 28 - QG2 VAL 50 lone 6 96 - 6 - ~5016=1 HG2 ARG 28 - QG2 VAL 50 lone 5 93 - 5 - ~5016=1 HB3 LYS 14 - QG2 VAL 50 lone 1 63 - 1 - HB2 LYS 14 - QG2 VAL 50 lone 1 63 - 1 - Peak 5020 from cnoeabs.peaks (1.79, 0.26, 21.31 ppm; 4.60 A): 4 out of 17 assignments used, quality = 0.99: HB2 LYS 31 + QG2 VAL 50 OK 81 100 - 82 - 3.9/4602=30, 4604=24...(24) HG2 GLU 51 + QG2 VAL 50 OK 62 83 - 75 - 4.9/220=30, 3.9/5049=25...(8) HG3 GLU 51 + QG2 VAL 50 OK 61 81 - 75 - 4.9/220=30, 3.9/5049=25...(8) QB ALA 74 + QG2 VAL 50 OK 56 96 - 59 - 4.5/6109=21, 5719/2.1=13...(16) HB2 ARG 27 - QG2 VAL 50 OK 45 96 - 47 - 4543/4585=5, 4546/4586=4...(23) HG LEU 76 - QG2 VAL 50 OK 41 83 - 50 - 2.1/2499=8, ~2489=5...(20) HB2 MET 48 - QG2 VAL 50 OK 37 99 - 37 - 4.7/5043=10, ~4858=4...(12) HB3 GLU 33 - QG2 VAL 50 OK 30 65 - 46 - 4.1/4649=27, 3.0/5001=6...(9) HD3 LYS 78 - QG2 VAL 50 OK 24 100 - 24 - 5816/4585=3, 5816/4481=3...(7) HB2 LYS 91 - QG2 VAL 50 OK 16 100 - 16 - 1.8/5019=1, 5012/2.1=1...(4) HG3 GLU 37 - QG2 VAL 50 OK 14 100 - 14 - 3935/4602=3, 4907/4613=1 HB2 ARG 28 - QG2 VAL 50 OK 13 100 - 13 - 5012/2.1=2, 5680/5675=1...(4) QE MET 11 - QG2 VAL 50 OK 11 85 - 12 - 4243/4585=3, 4243/4481=1...(4) HB3 ARG 28 - QG2 VAL 50 poor 9 81 - 11 - 5012/2.1=1, ~5012=1 HB2 LYS 65 - QG2 VAL 50 lone 9 100 - 9 - 4479/4481=1 HB2 GLU 37 - QG2 VAL 50 poor 8 63 - 13 - 4.4/5045=6, 3932/4602=2 HB2 LYS 44 - QG2 VAL 50 lone 6 65 - 9 - Peak 5021 from cnoeabs.peaks (1.97, 0.26, 21.31 ppm; 4.79 A): 2 out of 15 assignments used, quality = 0.95: HB2 GLU 51 + QG2 VAL 50 OK 91 100 - 91 - 3.9/220=41, 5065=34...(12) HB2 LEU 76 + QG2 VAL 50 OK 46 85 - 54 - 3.1/2499=8, 2.9/5004=5...(24) HB2 GLU 33 - QG2 VAL 50 OK 40 78 - 51 - 4.1/4649=29, 3.0/5001=6...(13) HB2 GLN 58 - QG2 VAL 50 OK 35 100 - 35 - ~5035=17, ~5271=8...(5) HE3 LYS 68 - QG2 VAL 50 OK 19 78 - 24 - 5568/5048=8, 5571/4609=6...(4) HB2 PRO 19 - QG2 VAL 50 OK 17 92 - 18 - 5681/5675=2, 2.3/5004=2...(8) HB3 PRO 19 - QG2 VAL 50 OK 15 85 - 17 - 5681/5675=2, 2.3/5004=2...(6) HG2 PRO 19 - QG2 VAL 50 OK 14 100 - 14 - 4380/5675=2, ~4353=1...(4) HB3 GLU 22 - QG2 VAL 50 OK 11 78 - 14 - ~4465=2, ~4462=2, 4454/6109=1 HB VAL 20 - QG2 VAL 50 OK 11 65 - 16 - ~4397=4, 2.1/6039=4...(4) HB3 PRO 81 - QG2 VAL 50 OK 10 100 - 10 - ~5016=2, 734/4.3=1 HB2 GLU 77 - QG2 VAL 50 lone 9 99 - 9 - HB2 LYS 78 - QG2 VAL 50 poor 9 60 - 15 - 734/4.3=2, 3.7/5020=1...(7) HG3 PRO 84 - QG2 VAL 50 lone 7 90 - 8 - HB2 GLU 25 - QG2 VAL 50 lone 5 63 - 8 - 3.0/5004=2, ~5017=2, 1645/5671=1 Peak 5022 from cnoeabs.peaks (2.16, 0.26, 21.31 ppm; 5.96 A): 2 out of 3 assignments used, quality = 0.97: HB VAL 52 + QG2 VAL 50 OK 92 100 - 92 - 3.0/5116=38, 4.0/5114=33...(16) HG2 GLN 55 + QG2 VAL 50 OK 55 99 - 55 - 5118=16, 3.5/5047=8...(13) HB3 MET 21 - QG2 VAL 50 OK 18 97 - 18 - 6110/6109=6, 2533/5116=2...(6) Peak 5023 from cnoeabs.peaks (0.91, 0.26, 21.31 ppm; 2.83 A): 6 out of 7 assignments used, quality = 0.94: HB3 LEU 30 + QG2 VAL 50 OK 72 96 - 75 - 4582=17, 3.1/4585=17...(18) QD2 LEU 23 + QG2 VAL 50 OK 48 100 - 48 - 4480=17, 2.1/4481=12...(11) HD3 LYS 26 + QG2 VAL 50 OK 26 96 - 28 - 1.8/6038=5, 5024/2.1=4...(10) QG2 VAL 52 + QG2 VAL 50 OK 26 60 - 43 - 2.1/5131=14, 5131=8...(11) QD1 LEU 76 + QG2 VAL 50 OK 13 60 - 21 - 2.1/2499=5, 5024/2.1=2...(7) QD1 LEU 87 + QG2 VAL 50 OK 11 89 - 12 - 2.1/6038=2, 4.1/5003=2...(4) QD1 LEU 85 - QG2 VAL 50 lone 6 83 - 7 - Peak 5024 from cnoeabs.peaks (0.91, 0.70, 18.31 ppm; 2.84 A): 5 out of 7 assignments used, quality = 0.87: HB3 LEU 30 + QG1 VAL 50 OK 58 96 - 60 - 4582/2.1=17, ~4581=11...(18) QD2 LEU 23 + QG1 VAL 50 OK 43 100 - 43 - 4480/2.1=16, ~4481=9...(11) HD3 LYS 26 + QG1 VAL 50 OK 21 96 - 22 - 5023/2.1=4, ~6038=3...(9) QG2 VAL 52 + QG1 VAL 50 OK 21 60 - 35 - ~5131=7, 5131/2.1=6...(11) QD1 LEU 76 + QG1 VAL 50 OK 13 60 - 21 - ~2499=2, 3249=2, ~2489=2...(10) QD1 LEU 87 - QG1 VAL 50 lone 6 89 - 7 - 5023/2.1=2 QD1 LEU 85 - QG1 VAL 50 lone 4 83 - 5 - Peak 5025 from cnoeabs.peaks (1.52, 0.70, 18.31 ppm; 3.01 A): 5 out of 16 assignments used, quality = 0.93: QB ALA 71 + QG1 VAL 50 OK 65 100 - 65 - 5662=29, 5624/4.0=10...(14) HG LEU 30 + QG1 VAL 50 OK 48 78 - 61 - ~4586=14, ~4585=14...(13) QB ALA 72 + QG1 VAL 50 OK 33 71 - 46 - 2.1/5670=12, 4.2/5662=9...(10) HD3 LYS 64 + QG1 VAL 50 OK 27 99 - 27 - 2882=4, 1.8/2872=3...(13) HB2 LYS 56 + QG1 VAL 50 OK 25 89 - 28 - 4.6/5041=6, 3.0/5000=5...(9) HB3 LYS 26 - QG1 VAL 50 OK 24 100 - 24 - 1.8/2493=5, 1690/2.1=3...(7) HD2 LYS 56 - QG1 VAL 50 OK 20 93 - 21 - 3.0/5015=4, 3.0/5015=4...(6) HG3 ARG 27 - QG1 VAL 50 OK 18 100 - 18 - 3.0/5016=3, 3.9/2491=1...(7) HG LEU 34 - QG1 VAL 50 OK 12 100 - 12 - 2.1/4677=3, 5.1/5041=1 HB3 LEU 87 - QG1 VAL 50 lone 9 93 - 9 - ~4580=1, ~5003=1 HD3 LYS 17 - QG1 VAL 50 lone 7 98 - 7 - HD2 LYS 17 - QG1 VAL 50 lone 7 98 - 7 - HB2 LEU 85 - QG1 VAL 50 lone 6 100 - 6 - HB2 ARG 45 - QG1 VAL 50 lone 6 98 - 6 - HG2 GLU 37 - QG1 VAL 50 lone 4 90 - 4 - HB3 LYS 44 - QG1 VAL 50 lone 3 76 - 3 - Peak 5029 from cnoeabs.peaks (9.44, 1.32, 35.93 ppm; 5.03 A): 2 out of 2 assignments used, quality = 0.99: H GLU 33 + HB VAL 50 OK 94 100 - 94 - 4649/2.1=43, 6062/3.0=42...(12) H GLU 49 + HB VAL 50 OK 82 97 - 84 - 3.0/5032=28, ~5034=28...(12) Peak 5030 from cnoeabs.peaks (6.82, 1.32, 35.93 ppm; 3.86 A): 1 out of 3 assignments used, quality = 0.94: QD TYR 32 + HB VAL 50 OK 94 100 - 94 - 4613/2.1=32, 2.2/5031=30...(16) QE TYR 70 - HB VAL 50 OK 18 83 - 22 - 5047/2.1=6, 5037/2.1=6...(6) HE21 GLN 55 - HB VAL 50 OK 10 71 - 14 - 5047/2.1=5, 5037/2.1=3...(4) Peak 5031 from cnoeabs.peaks (6.66, 1.32, 35.93 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.95: QE TYR 32 + HB VAL 50 OK 95 100 - 95 - 5036/2.1=39, 4625/2.1=38...(20) Peak 5032 from cnoeabs.peaks (5.66, 1.32, 35.93 ppm; 5.69 A): 1 out of 1 assignment used, quality = 0.88: HA GLU 49 + HB VAL 50 OK 88 96 - 92 - 5034/2.1=49, 211/4.0=46...(12) Peak 5033 from cnoeabs.peaks (5.29, 0.70, 18.31 ppm; 5.90 A): 1 out of 1 assignment used, quality = 0.99: HA GLU 51 + QG1 VAL 50 OK 99 100 - 99 - 5049/2.1=47, ~220=43...(23) Peak 5034 from cnoeabs.peaks (5.66, 0.70, 18.31 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.83: HA GLU 49 + QG1 VAL 50 OK 83 99 - 84 - 4962=34, 211/4.0=32...(16) Peak 5035 from cnoeabs.peaks (5.79, 0.70, 18.31 ppm; 6.07 A): 1 out of 1 assignment used, quality = 0.80: HA GLN 58 + QG1 VAL 50 OK 80 92 - 87 - 5289/4.0=40...(20) Peak 5036 from cnoeabs.peaks (6.67, 0.70, 18.31 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.87: QE TYR 32 + QG1 VAL 50 OK 87 99 - 89 - 4625/2.1=30, 5031/2.1=27...(20) Peak 5037 from cnoeabs.peaks (6.82, 0.70, 18.31 ppm; 4.12 A): 1 out of 3 assignments used, quality = 0.97: QD TYR 32 + QG1 VAL 50 OK 97 100 - 97 - 2.2/5036=40, 4613/2.1=36...(19) QE TYR 70 - QG1 VAL 50 OK 24 83 - 29 - 5047/2.1=6, 5030/2.1=6...(9) HE21 GLN 55 - QG1 VAL 50 OK 13 71 - 18 - 5047/2.1=5, 5030/2.1=3...(5) Peak 5038 from cnoeabs.peaks (7.16, 0.70, 18.31 ppm; 3.61 A): 1 out of 2 assignments used, quality = 0.73: QD PHE 57 + QG1 VAL 50 OK 73 99 - 74 - 4673=24, 2.5/5015=16...(15) HD2 HIS 15 - QG1 VAL 50 lone 9 100 - 8 - 5046/2.1=2, 5027/4.0=2 Peak 5039 from cnoeabs.peaks (7.36, 0.70, 18.31 ppm; 4.88 A): 4 out of 4 assignments used, quality = 0.88: H ALA 75 + QG1 VAL 50 OK 74 100 - 74 - ~6109=23, 5748=16...(15) QD TYR 70 + QG1 VAL 50 OK 24 68 - 35 - 4.5/5645=9, 2.2/5037=8...(6) H GLU 25 + QG1 VAL 50 OK 24 99 - 24 - 3.0/5017=3, 4216/5670=3...(11) QE PHE 46 + QG1 VAL 50 OK 19 95 - 20 - 2.2/4735=5, 4.4/6085=2 Peak 5040 from cnoeabs.peaks (8.35, 0.70, 18.31 ppm; 4.58 A): 3 out of 6 assignments used, quality = 0.88: H ALA 72 + QG1 VAL 50 OK 80 100 - 80 - 3.7/5662=23, 2.9/5670=20...(17) H ARG 28 + QG1 VAL 50 OK 24 100 - 25 - 4063/5662=3, 4637/5036=3...(12) H TYR 70 + QG1 VAL 50 OK 24 87 - 28 - 4.6/5645=8, 4.6/5039=4...(8) H ASN 90 - QG1 VAL 50 lone 7 73 - 9 - 3.0/5000=4, ~5001=2 H GLY 39 - QG1 VAL 50 lone 2 76 - 3 - H GLY 40 - QG1 VAL 50 lone 2 76 - 3 - Peak 5041 from cnoeabs.peaks (8.81, 0.70, 18.31 ppm; 3.94 A): 3 out of 3 assignments used, quality = 0.84: H PHE 57 + QG1 VAL 50 OK 70 87 - 80 - 4.4/5038=20, 5248=16...(18) H GLY 59 + QG1 VAL 50 OK 37 83 - 44 - 3.6/5035=13, 5336/5034=8...(12) H LEU 34 + QG1 VAL 50 OK 17 73 - 23 - 5028/4.0=4, 4.6/4648=4...(8) Peak 5043 from cnoeabs.peaks (9.44, 0.26, 21.31 ppm; 4.97 A): 2 out of 2 assignments used, quality = 0.99: H GLU 33 + QG2 VAL 50 OK 95 99 - 96 - 4649=50, 6062/3.2=40...(14) H GLU 49 + QG2 VAL 50 OK 84 100 - 84 - ~5034=27, ~4962=20...(16) Peak 5044 from cnoeabs.peaks (8.67, 0.26, 21.31 ppm; 5.63 A): 2 out of 2 assignments used, quality = 0.98: H TYR 32 + QG2 VAL 50 OK 96 97 - 99 - 3.0/5002=47, 4609=47...(19) H GLN 58 + QG2 VAL 50 OK 47 63 - 75 - ~5035=24, 4.5/5046=24...(9) Peak 5045 from cnoeabs.peaks (8.50, 0.26, 21.31 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.95: H LYS 31 + QG2 VAL 50 OK 95 100 - 95 - 4602=48, 5.0/4585=20...(21) H THR 38 - QG2 VAL 50 OK 25 89 - 28 - 3896/4586=4, 3895/4585=3...(11) Peak 5046 from cnoeabs.peaks (7.16, 0.26, 21.31 ppm; 5.61 A): 1 out of 2 assignments used, quality = 0.95: QD PHE 57 + QG2 VAL 50 OK 95 100 - 95 - 5038/2.1=44, 5027/4.0=22...(25) HD2 HIS 15 - QG2 VAL 50 OK 19 99 - 18 - 5038/2.1=5, 5027/4.0=4...(6) Peak 5047 from cnoeabs.peaks (6.81, 0.26, 21.31 ppm; 4.27 A): 1 out of 3 assignments used, quality = 0.97: QD TYR 32 + QG2 VAL 50 OK 97 99 - 98 - 4613=43, 2.2/5048=37...(23) QE TYR 70 - QG2 VAL 50 OK 31 98 - 32 - 5037/2.1=6, 5030/2.1=6...(11) HE21 GLN 55 - QG2 VAL 50 OK 26 93 - 28 - 3.5/5118=6, 5037/2.1=3...(14) Peak 5048 from cnoeabs.peaks (6.66, 0.26, 21.31 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.98: QE TYR 32 + QG2 VAL 50 OK 98 100 - 98 - 4627=46, 5036/2.1=39...(22) Peak 5049 from cnoeabs.peaks (5.29, 0.26, 21.31 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.97: HA GLU 51 + QG2 VAL 50 OK 97 100 - 98 - 3.0/220=48, 5063=36...(25) Peak 5055 from cnoeabs.peaks (2.15, 5.29, 53.99 ppm; 4.78 A): 2 out of 3 assignments used, quality = 0.95: HB VAL 52 + HA GLU 51 OK 87 99 - 88 - 4.0/222=41, 3.0/5110=29...(15) HG2 GLN 55 + HA GLU 51 OK 64 96 - 67 - 4.9/5200=26, 4.7/5232=22...(10) HB3 MET 21 - HA GLU 51 OK 14 100 - 14 - 740/3.6=3, 754/5200=2...(6) Peak 5056 from cnoeabs.peaks (2.82, 5.29, 53.99 ppm; 4.88 A): 3 out of 5 assignments used, quality = 1.00: HE2 LYS 56 + HA GLU 51 OK 95 100 - 95 - 3.6/5229=32, 3.0/5234=28...(30) HE3 LYS 56 + HA GLU 51 OK 93 98 - 95 - 3.6/5229=32, 3.0/5234=28...(31) HB3 PHE 57 + HA GLU 51 OK 72 89 - 81 - 2.5/5085=35, 4.0/5243=30...(20) HB2 ASN 90 - HA GLU 51 OK 23 97 - 23 - 3.0/5073=5, 3686/6052=3...(10) HE2 LYS 17 - HA GLU 51 poor 8 71 - 11 - 3.9/6053=4, 3.0/5057=1 Peak 5057 from cnoeabs.peaks (1.53, 5.29, 53.99 ppm; 4.75 A): 3 out of 15 assignments used, quality = 0.99: HD2 LYS 56 + HA GLU 51 OK 97 100 - 97 - 3.0/5229=35, 1.8/5234=31...(30) HB2 LYS 56 + HA GLU 51 OK 61 63 - 97 - 3.0/6052=40, 2.9/5229=35...(28) HG LEU 34 + HA GLU 51 OK 46 93 - 50 - 2.1/5060=12, ~5067=6...(16) HG LEU 30 - HA GLU 51 OK 40 97 - 42 - 4583/5049=10, ~5050=5...(15) HB3 LYS 44 - HA GLU 51 OK 38 96 - 40 - 2.9/5058=4, 2268/3.9=3...(20) QB ALA 71 - HA GLU 51 OK 28 98 - 29 - 5663/5049=8, 5662/5033=7...(7) HG3 ARG 27 - HA GLU 51 OK 25 97 - 26 - 5112/3.6=3, 2.9/2504=2...(7) HD3 LYS 64 - HA GLU 51 OK 22 100 - 22 - 2.9/5062=4, ~219=3...(6) HD2 LYS 17 - HA GLU 51 OK 18 83 - 22 - 3.0/6053=4, 2663/5229=2...(8) HD3 LYS 17 - HA GLU 51 OK 18 83 - 22 - 3.0/6053=4, 2663/5229=2...(8) HB3 LEU 87 - HA GLU 51 OK 17 100 - 17 - 3.9/5086=3, 3.0/5072=2...(4) HB3 LYS 26 - HA GLU 51 OK 17 97 - 17 - ~218=3, 1.8/5059=2...(5) HB2 LEU 85 - HA GLU 51 lone 9 90 - 9 - 3.0/5072=1 HG2 GLU 37 - HA GLU 51 lone 6 65 - 10 - 4776/5229=1 HB2 ARG 45 - HA GLU 51 lone 4 83 - 5 - Peak 5058 from cnoeabs.peaks (1.37, 5.29, 53.99 ppm; 4.72 A): 2 out of 11 assignments used, quality = 1.00: HB3 LYS 56 + HA GLU 51 OK 98 100 - 98 - 3.0/6052=39, 2.9/5229=35...(29) HD3 LYS 56 + HA GLU 51 OK 80 83 - 96 - 3.0/5229=35, 5234=27...(31) HG2 LYS 44 - HA GLU 51 OK 38 100 - 38 - 3.0/5059=4, 6086/3.0=3...(15) HG2 LYS 91 - HA GLU 51 OK 20 78 - 25 - 3.0/2504=3, 6086/3.0=2...(12) HG3 LYS 91 - HA GLU 51 OK 20 78 - 25 - 3.0/2504=3, 6086/3.0=2...(12) HG2 LYS 68 - HA GLU 51 OK 19 100 - 19 - 2.9/5059=2, 6086/3.0=2...(8) HB2 LYS 64 - HA GLU 51 OK 18 97 - 18 - 3.0/5062=4, ~219=3...(4) QB ALA 67 - HA GLU 51 lone 8 100 - 8 - 5507/5229=1 QB ALA 69 - HA GLU 51 lone 8 96 - 9 - 6086/3.0=1 HB3 LEU 12 - HA GLU 51 lone 7 100 - 7 - QB ALA 89 - HA GLU 51 lone 5 89 - 5 - Peak 5059 from cnoeabs.peaks (1.30, 5.29, 53.99 ppm; 4.66 A): 3 out of 9 assignments used, quality = 0.96: HG3 LYS 56 + HA GLU 51 OK 84 87 - 97 - 1.8/5229=41, 4.0/6052=32...(25) HB VAL 50 + HA GLU 51 OK 60 65 - 91 - 2.1/5049=34, ~220=29...(11) HG3 LYS 31 + HA GLU 51 OK 41 100 - 41 - 218/3.0=4, 3.0/2504=4...(19) HD3 LYS 44 - HA GLU 51 OK 29 99 - 30 - 3.0/5058=4, 5066/3.0=3...(14) HB3 LYS 68 - HA GLU 51 OK 19 100 - 19 - 5066/3.0=2, 2.9/5058=2...(4) HG3 LYS 17 - HA GLU 51 OK 17 65 - 27 - 6053=5, 4.9/5243=4...(12) HB2 LYS 26 - HA GLU 51 OK 11 97 - 12 - 218/3.0=2, 1.8/5057=1 HG3 ARG 45 - HA GLU 51 lone 4 83 - 4 - QB ALA 60 - HA GLU 51 lone 3 96 - 3 - Peak 5060 from cnoeabs.peaks (1.06, 5.29, 53.99 ppm; 4.52 A): 2 out of 4 assignments used, quality = 0.98: HG2 LYS 56 + HA GLU 51 OK 97 99 - 98 - 5229=49, 4.0/6052=30...(24) QD2 LEU 34 + HA GLU 51 OK 52 100 - 52 - 5067/3.0=9, 5064/3.0=8...(17) QG2 VAL 66 - HA GLU 51 OK 11 85 - 13 - 5064/3.0=2, 5067/3.0=2 QG2 THR 38 - HA GLU 51 OK 10 85 - 12 - 5067/3.0=2, 5064/3.0=1...(4) Peak 5061 from cnoeabs.peaks (0.93, 5.29, 53.99 ppm; 4.24 A): 2 out of 5 assignments used, quality = 0.94: QG2 VAL 52 + HA GLU 51 OK 79 95 - 83 - 4.0/222=35, 3.2/5110=22...(15) QG1 VAL 52 + HA GLU 51 OK 72 87 - 83 - 4.0/222=35, 5108=22...(15) HB3 LEU 30 - HA GLU 51 OK 24 63 - 39 - 5050/3.0=8, 4582/5049=6...(15) QD2 LEU 23 - HA GLU 51 OK 23 95 - 24 - 4480/5049=9, 5050/3.0=6...(6) HD3 LYS 26 - HA GLU 51 poor 6 63 - 10 - 5050/3.0=2, 5023/5049=1 Peak 5062 from cnoeabs.peaks (0.69, 5.29, 53.99 ppm; 4.97 A): 1 out of 4 assignments used, quality = 0.96: QG1 VAL 50 + HA GLU 51 OK 96 99 - 97 - 2.1/5049=38, ~220=33...(20) QD2 LEU 76 - HA GLU 51 OK 26 65 - 40 - 219/3.0=7, 4673/5085=4...(21) HG3 LYS 64 - HA GLU 51 OK 19 89 - 21 - 219/3.0=6, 2499/5049=2...(7) QD2 LEU 12 - HA GLU 51 lone 4 68 - 6 - 6149/5243=1 Peak 5063 from cnoeabs.peaks (0.26, 5.29, 53.99 ppm; 5.51 A): 1 out of 1 assignment used, quality = 0.99: QG2 VAL 50 + HA GLU 51 OK 99 100 - 99 - 220/3.0=50, 5049=50...(29) Peak 5064 from cnoeabs.peaks (1.05, 1.97, 31.04 ppm; 4.77 A): 2 out of 4 assignments used, quality = 0.95: HG2 LYS 56 + HB2 GLU 51 OK 91 96 - 95 - 5229/3.0=34, 5067/1.8=25...(28) QD2 LEU 34 + HB2 GLU 51 OK 42 100 - 42 - 5067/1.8=11, 5060/3.0=11...(12) QG2 VAL 66 - HB2 GLU 51 OK 10 93 - 11 - 5067/1.8=2, 5060/3.0=2 QG2 THR 38 - HB2 GLU 51 lone 6 73 - 9 - 5067/1.8=2, 5060/3.0=2 Peak 5065 from cnoeabs.peaks (0.24, 1.97, 31.04 ppm; 5.15 A): 1 out of 1 assignment used, quality = 0.76: QG2 VAL 50 + HB2 GLU 51 OK 76 85 - 90 - 220/3.9=37, 5049/3.0=30...(13) Peak 5066 from cnoeabs.peaks (1.28, 1.68, 31.04 ppm; 4.87 A): 1 out of 9 assignments used, quality = 0.95: HG3 LYS 56 + HB3 GLU 51 OK 95 100 - 95 - ~5229=26, 1.8/5067=26...(29) HD3 LYS 44 - HB3 GLU 51 OK 31 98 - 32 - 5081/3.0=4, 5081/3.0=4...(14) HG3 LYS 31 - HB3 GLU 51 OK 31 87 - 35 - 5059/3.0=4, ~2510=3...(17) HB3 LYS 68 - HB3 GLU 51 OK 18 97 - 19 - 5059/3.0=2, 2.9/6086=2...(7) HG3 LYS 17 - HB3 GLU 51 OK 16 97 - 17 - 6053/3.0=5, 4.9/5090=2...(5) HG3 LYS 65 - HB3 GLU 51 OK 14 87 - 16 - 6053/3.0=4, 5081/3.0=1 HB3 LEU 23 - HB3 GLU 51 poor 9 78 - 11 - ~5061=2, 4477/3.0=1...(4) HB2 LYS 26 - HB3 GLU 51 lone 5 65 - 8 - 5059/3.0=1 QB ALA 60 - HB3 GLU 51 lone 1 63 - 2 - Peak 5067 from cnoeabs.peaks (1.06, 1.68, 31.04 ppm; 4.62 A): 2 out of 4 assignments used, quality = 0.97: HG2 LYS 56 + HB3 GLU 51 OK 94 99 - 95 - 5229/3.0=33, 5064/1.8=23...(30) QD2 LEU 34 + HB3 GLU 51 OK 43 100 - 44 - 5064/1.8=10, 5060/3.0=10...(16) QG2 VAL 66 - HB3 GLU 51 poor 9 85 - 10 - 5064/1.8=3, 5060/3.0=2 QG2 THR 38 - HB3 GLU 51 lone 8 85 - 10 - 5060/3.0=2, 5064/1.8=2 Peak 5068 from cnoeabs.peaks (0.25, 1.68, 31.04 ppm; 5.96 A): 1 out of 1 assignment used, quality = 0.94: QG2 VAL 50 + HB3 GLU 51 OK 94 97 - 96 - 220/3.9=48, 5065/1.8=46...(25) Peak 5069 from cnoeabs.peaks (2.82, 1.97, 31.04 ppm; 6.06 A): 3 out of 4 assignments used, quality = 1.00: HE2 LYS 56 + HB2 GLU 51 OK 93 100 - 93 - ~5234=26, 3.6/5064=26...(27) HE3 LYS 56 + HB2 GLU 51 OK 93 100 - 93 - ~5234=26, 3.6/5064=26...(27) HB3 PHE 57 + HB2 GLU 51 OK 65 96 - 68 - ~5085=30, ~5073=12...(12) HB2 ASN 90 - HB2 GLU 51 OK 18 90 - 19 - ~5073=4, 5056/3.0=4...(6) Peak 5070 from cnoeabs.peaks (2.81, 1.68, 31.04 ppm; 5.21 A): 3 out of 5 assignments used, quality = 1.00: HE3 LYS 56 + HB3 GLU 51 OK 89 100 - 89 - 3.6/5067=21, ~5234=19...(29) HE2 LYS 56 + HB3 GLU 51 OK 89 100 - 89 - 3.6/5067=21, ~5234=19...(29) HB3 PHE 57 + HB3 GLU 51 OK 64 99 - 64 - ~5085=23, 4.0/5090=13...(13) HB3 ASP 53 - HB3 GLU 51 OK 16 63 - 26 - 4.6/5156=13, ~5072=3...(6) HB2 ASN 90 - HB3 GLU 51 OK 16 81 - 19 - 4.0/5088=3, ~5073=3...(7) Peak 5072 from cnoeabs.peaks (4.26, 5.29, 53.99 ppm; 5.05 A): 2 out of 8 assignments used, quality = 0.98: HA VAL 52 + HA GLU 51 OK 96 99 - 96 - 3.0/222=49, 5110=44...(20) HA LYS 78 + HA GLU 51 OK 45 98 - 47 - 739/3.6=8, 3.6/5086=6...(20) HA ASP 53 - HA GLU 51 OK 33 63 - 52 - 4.8/5110=23, 3.6/5084=9...(11) HA LEU 87 - HA GLU 51 OK 14 78 - 18 - 2.9/5086=4, 5053/3.0=3...(5) HA LEU 85 - HA GLU 51 lone 10 99 - 10 - 739/3.6=2 HA ALA 89 - HA GLU 51 lone 6 95 - 6 - HA ALA 86 - HA GLU 51 lone 5 68 - 7 - 3.6/5086=4 HA3 GLY 39 - HA GLU 51 lone 4 99 - 4 - ~5088=1 Peak 5073 from cnoeabs.peaks (4.67, 5.29, 53.99 ppm; 3.61 A): 3 out of 3 assignments used, quality = 0.94: HA LYS 56 + HA GLU 51 OK 86 97 - 89 - 6052=38, 6054/3.6=20...(21) HA PHE 57 + HA GLU 51 OK 53 83 - 64 - 2.9/5243=23, 3.7/5085=16...(19) HA ASN 90 + HA GLU 51 OK 17 100 - 17 - 5074/3.0=3, 5111/3.6=2...(4) Peak 5075 from cnoeabs.peaks (1.55, 1.81, 36.41 ppm; 4.48 A): 4 out of 12 assignments used, quality = 0.96: HD2 LYS 56 + HG2 GLU 51 OK 67 87 - 78 - 3.0/5083=10, ~5067=10...(33) HD2 LYS 56 + HG3 GLU 51 OK 67 87 - 78 - 3.0/5083=10, ~5067=10...(33) HB3 LYS 44 + HG3 GLU 51 OK 40 98 - 41 - 2268/1.8=4, 2268=4...(22) HB3 LYS 44 + HG2 GLU 51 OK 40 98 - 41 - 2268/1.8=4, 2268=4...(22) HG LEU 30 - HG2 GLU 51 OK 18 97 - 19 - 1899/3.0=2, ~2510=2...(8) HG LEU 30 - HG3 GLU 51 OK 18 97 - 19 - 1899/3.0=2, ~2510=2...(8) HD2 LYS 65 - HG2 GLU 51 poor 8 65 - 12 - 2.8/5081=1, ~5066=1 HD2 LYS 65 - HG3 GLU 51 poor 8 65 - 12 - 2.8/5081=1, ~5066=1 HB3 LEU 87 - HG2 GLU 51 lone 4 87 - 5 - HB3 LEU 87 - HG3 GLU 51 lone 4 87 - 5 - HD3 LYS 64 - HG2 GLU 51 lone 4 68 - 7 - HD3 LYS 64 - HG3 GLU 51 lone 4 68 - 7 - Peak 5076 from cnoeabs.peaks (2.80, 1.81, 36.41 ppm; 4.87 A): 4 out of 8 assignments used, quality = 0.99: HE3 LYS 56 + HG2 GLU 51 OK 71 96 - 75 - 3.6/5083=10, 5070/3.0=9...(27) HE3 LYS 56 + HG3 GLU 51 OK 71 96 - 75 - 3.6/5083=10, 5070/3.0=9...(27) HE2 LYS 56 + HG2 GLU 51 OK 67 90 - 74 - 3.6/5083=10, 5070/3.0=9...(26) HE2 LYS 56 + HG3 GLU 51 OK 67 90 - 74 - 3.6/5083=10, 5070/3.0=9...(26) HB3 PHE 57 - HG2 GLU 51 OK 39 100 - 39 - 5070/3.0=7, 5236/3.9=6...(10) HB3 PHE 57 - HG3 GLU 51 OK 39 100 - 39 - 5070/3.0=7, 5236/3.9=6...(10) HB3 ASP 53 - HG2 GLU 51 OK 26 89 - 29 - 4.6/5155=11, 4.1/5136=8...(6) HB3 ASP 53 - HG3 GLU 51 OK 26 89 - 29 - 4.6/5155=11, 4.1/5136=8...(6) Peak 5077 from cnoeabs.peaks (3.65, 1.81, 36.41 ppm; 4.85 A): 2 out of 6 assignments used, quality = 0.95: HA2 GLY 54 + HG2 GLU 51 OK 77 99 - 77 - 5161=18, 3.6/6134=18...(12) HA2 GLY 54 + HG3 GLU 51 OK 77 99 - 77 - 5161=18, 3.6/6134=18...(12) HD3 PRO 84 - HG2 GLU 51 lone 5 63 - 8 - 4.8/2519=3 HD3 PRO 84 - HG3 GLU 51 lone 5 63 - 8 - 4.8/2525=3 HA2 GLY 16 - HG2 GLU 51 lone 2 73 - 2 - HA2 GLY 16 - HG3 GLU 51 lone 2 73 - 2 - Peak 5078 from cnoeabs.peaks (4.06, 1.81, 36.41 ppm; 5.73 A): 2 out of 6 assignments used, quality = 0.97: HA3 GLY 54 + HG2 GLU 51 OK 84 100 - 85 - 1.8/5077=22, 3.6/6134=22...(12) HA3 GLY 54 + HG3 GLU 51 OK 84 100 - 85 - 1.8/5077=22, 3.6/6134=22...(12) HA3 GLY 61 - HG2 GLU 51 lone 8 92 - 8 - 3985/6134=2, 2565/5077=1 HA3 GLY 61 - HG3 GLU 51 lone 8 92 - 8 - 3985/6134=2, 2565/5077=1 HA2 GLY 59 - HG2 GLU 51 lone 5 100 - 5 - HA2 GLY 59 - HG3 GLU 51 lone 5 100 - 5 - Peak 5079 from cnoeabs.peaks (4.25, 1.81, 36.41 ppm; 5.75 A): 6 out of 16 assignments used, quality = 0.99: HA VAL 52 + HG2 GLU 51 OK 69 78 - 88 - 5110/3.9=27, 3.0/3975=24...(16) HA VAL 52 + HG3 GLU 51 OK 69 78 - 88 - 5110/3.9=27, 3.0/3975=24...(16) HA ASP 53 + HG2 GLU 51 OK 50 96 - 53 - 3.6/5155=16, 2.9/5136=12...(10) HA ASP 53 + HG3 GLU 51 OK 50 96 - 53 - 3.6/5155=16, 2.9/5136=12...(10) HA LYS 78 + HG2 GLU 51 OK 50 99 - 51 - 5072/3.9=6, 3291/3.0=5...(27) HA LYS 78 + HG3 GLU 51 OK 50 99 - 51 - 5072/3.9=6, 3291/3.0=5...(27) HA LEU 30 - HG2 GLU 51 OK 20 73 - 28 - 5053/4.9=7, 3.7/5075=3...(12) HA LEU 30 - HG3 GLU 51 OK 20 73 - 28 - 5053/4.9=7, 3.7/5075=3...(12) HA LEU 87 - HG2 GLU 51 OK 14 99 - 14 - 5053/4.9=3, 5072/3.9=2 HA LEU 87 - HG3 GLU 51 OK 14 99 - 14 - 5053/4.9=3, 5072/3.9=2 HA LEU 85 - HG2 GLU 51 lone 8 97 - 8 - 5072/3.9=1 HA LEU 85 - HG3 GLU 51 lone 8 97 - 8 - 5072/3.9=1 HA ALA 89 - HG2 GLU 51 lone 7 100 - 6 - HA ALA 89 - HG3 GLU 51 lone 7 100 - 6 - HA3 GLY 39 - HG2 GLU 51 lone 4 78 - 5 - ~5088=1 HA3 GLY 39 - HG3 GLU 51 lone 4 78 - 5 - ~5088=1 Peak 5080 from cnoeabs.peaks (4.67, 1.81, 36.41 ppm; 5.34 A): 4 out of 6 assignments used, quality = 0.99: HA LYS 56 + HG2 GLU 51 OK 77 99 - 78 - 6052/3.9=40, 5074/4.9=16...(15) HA LYS 56 + HG3 GLU 51 OK 77 99 - 78 - 6052/3.9=40, 5074/4.9=16...(15) HA PHE 57 + HG2 GLU 51 OK 54 92 - 59 - 5073/3.9=14, 5074/4.9=12...(14) HA PHE 57 + HG3 GLU 51 OK 54 92 - 59 - 5073/3.9=14, 5074/4.9=12...(15) HA ASN 90 - HG2 GLU 51 OK 19 100 - 19 - 5073/3.9=5, 5074/4.9=4...(6) HA ASN 90 - HG3 GLU 51 OK 19 100 - 19 - 5073/3.9=5, 5074/4.9=4...(6) Peak 5081 from cnoeabs.peaks (1.28, 1.81, 36.41 ppm; 4.42 A): 2 out of 16 assignments used, quality = 0.97: HG3 LYS 56 + HG2 GLU 51 OK 82 100 - 82 - 6053/3.9=18, ~5067=13...(26) HG3 LYS 56 + HG3 GLU 51 OK 82 100 - 82 - 6053/3.9=18, ~5067=13...(26) HD3 LYS 44 - HG2 GLU 51 OK 40 93 - 43 - 2308=4, 5066/3.0=4...(20) HD3 LYS 44 - HG3 GLU 51 OK 40 93 - 43 - 2308=4, 5066/3.0=4...(20) HG3 LYS 31 - HG2 GLU 51 OK 25 76 - 34 - 5066/3.0=4, 5059/3.9=2...(19) HG3 LYS 31 - HG3 GLU 51 OK 25 76 - 34 - 5066/3.0=4, 5059/3.9=2...(19) HG3 LYS 65 - HG2 GLU 51 OK 15 95 - 16 - 6053/3.9=3, 5066/3.0=2 HG3 LYS 65 - HG3 GLU 51 OK 15 94 - 16 - 6053/3.9=3, 5066/3.0=2 HB3 LYS 68 - HG2 GLU 51 OK 13 90 - 15 - 5066/3.0=2, 5059/3.9=1 HB3 LYS 68 - HG3 GLU 51 OK 13 90 - 15 - 5066/3.0=2, 5059/3.9=1 HG3 LYS 17 - HG2 GLU 51 OK 13 99 - 13 - 6053/3.9=3, 5066/3.0=2 HG3 LYS 17 - HG3 GLU 51 OK 13 99 - 13 - 6053/3.9=3, 5066/3.0=2 HB3 LEU 23 - HG2 GLU 51 OK 11 89 - 12 - 4477=2, 4477/1.8=2...(5) HB3 LEU 23 - HG3 GLU 51 OK 11 89 - 12 - 4477=2, 4477/1.8=2...(5) HB2 LEU 79 - HG2 GLU 51 lone 3 71 - 4 - HB2 LEU 79 - HG3 GLU 51 lone 3 71 - 4 - Peak 5082 from cnoeabs.peaks (1.38, 1.81, 36.41 ppm; 5.11 A): 6 out of 24 assignments used, quality = 1.00: HB3 LYS 56 + HG3 GLU 51 OK 89 100 - 89 - 5230/3.9=22, ~5067=13...(30) HB3 LYS 56 + HG2 GLU 51 OK 89 100 - 89 - 5230/3.9=22, ~5067=13...(30) HD3 LYS 56 + HG2 GLU 51 OK 85 93 - 91 - 5234/3.9=26, ~5067=13...(33) HD3 LYS 56 + HG3 GLU 51 OK 85 93 - 91 - 5234/3.9=26, ~5067=13...(33) HG2 LYS 44 + HG2 GLU 51 OK 56 98 - 57 - 2278=5, 2.9/5075=5...(25) HG2 LYS 44 + HG3 GLU 51 OK 56 98 - 57 - 2278=5, 2.9/5075=5...(25) HG2 LYS 31 - HG2 GLU 51 OK 23 60 - 39 - ~5066=4, 1.8/5081=3...(25) HG2 LYS 31 - HG3 GLU 51 OK 23 60 - 39 - ~5066=4, 1.8/5081=3...(25) HG2 LYS 91 - HG2 GLU 51 OK 21 63 - 34 - 6086/3.0=2, 6088/3.0=2...(20) HG3 LYS 91 - HG2 GLU 51 OK 21 63 - 34 - 6086/3.0=2, 6088/3.0=2...(20) HG2 LYS 91 - HG3 GLU 51 OK 21 63 - 34 - 6086/3.0=2, 6088/3.0=2...(20) HG3 LYS 91 - HG3 GLU 51 OK 21 63 - 34 - 6086/3.0=2, 6088/3.0=2...(20) HG2 LYS 68 - HG2 GLU 51 OK 17 97 - 18 - 5058/3.9=2, 6086/3.0=2...(5) HG2 LYS 68 - HG3 GLU 51 OK 17 97 - 18 - 5058/3.9=2, 6086/3.0=2...(5) QB ALA 69 - HG2 GLU 51 OK 10 99 - 10 - 2.9/5578=2, 6086/3.0=1, ~5578=1 QB ALA 69 - HG3 GLU 51 OK 10 99 - 10 - 2.9/5578=2, 6086/3.0=1, ~5578=1 QB ALA 67 - HG2 GLU 51 poor 10 99 - 10 - QB ALA 67 - HG3 GLU 51 poor 10 99 - 10 - HB2 LYS 64 - HG2 GLU 51 poor 10 89 - 11 - 5058/3.9=2, 6088/3.0=1 HB2 LYS 64 - HG3 GLU 51 poor 10 89 - 11 - 5058/3.9=2, 6088/3.0=1 HB3 LEU 12 - HG2 GLU 51 lone 6 100 - 6 - HB3 LEU 12 - HG3 GLU 51 lone 6 100 - 6 - QB ALA 89 - HG2 GLU 51 lone 3 76 - 5 - QB ALA 89 - HG3 GLU 51 lone 3 76 - 5 - Peak 5083 from cnoeabs.peaks (1.06, 1.81, 36.41 ppm; 4.44 A): 2 out of 8 assignments used, quality = 0.97: HG2 LYS 56 + HG3 GLU 51 OK 84 100 - 84 - 5229/3.9=26, 5067/3.0=18...(26) HG2 LYS 56 + HG2 GLU 51 OK 84 100 - 84 - 5229/3.9=26, 5067/3.0=18...(26) QD2 LEU 34 - HG2 GLU 51 OK 36 100 - 36 - 5067/3.0=8, 5060/3.9=8...(8) QD2 LEU 34 - HG3 GLU 51 OK 36 100 - 36 - 5067/3.0=8, 5060/3.9=8...(8) QG2 VAL 66 - HG2 GLU 51 poor 8 73 - 10 - 5064/3.0=2, 5067/3.0=2 QG2 VAL 66 - HG3 GLU 51 poor 8 73 - 10 - 5064/3.0=2, 5067/3.0=2 QG2 THR 38 - HG2 GLU 51 lone 7 93 - 8 - 5067/3.0=2, 5060/3.9=2 QG2 THR 38 - HG3 GLU 51 lone 7 93 - 8 - 5067/3.0=2, 5060/3.9=2 Peak 5084 from cnoeabs.peaks (8.80, 5.29, 53.99 ppm; 4.07 A): 2 out of 4 assignments used, quality = 0.95: H PHE 57 + HA GLU 51 OK 91 99 - 92 - 5243=42, 3.6/6052=28...(20) H GLY 54 + HA GLU 51 OK 44 76 - 58 - 4.5/5200=21, 5156/3.0=9...(15) H LEU 34 - HA GLU 51 OK 37 95 - 40 - 4.7/5060=6, 5090/3.0=4...(17) H ASN 18 - HA GLU 51 OK 24 81 - 30 - 5243=7, 5238/3.6=4...(11) Peak 5085 from cnoeabs.peaks (7.17, 5.29, 53.99 ppm; 4.51 A): 1 out of 2 assignments used, quality = 0.71: QD PHE 57 + HA GLU 51 OK 71 96 - 74 - 4650/3.6=28, 4.4/5243=24...(18) HD2 HIS 15 - HA GLU 51 lone 8 100 - 8 - 773/5243=2, 5046/5049=1...(4) Peak 5086 from cnoeabs.peaks (8.20, 5.29, 53.99 ppm; 5.45 A): 1 out of 4 assignments used, quality = 0.98: H LYS 56 + HA GLU 51 OK 98 99 - 99 - 5232=47, 3.0/6052=46...(18) H LEU 79 - HA GLU 51 OK 40 100 - 40 - 3.6/5072=7, 987/5200=4...(15) HE21 GLN 58 - HA GLU 51 OK 26 87 - 31 - 2609/6052=5, 2639/5229=4...(10) H LEU 87 - HA GLU 51 OK 24 100 - 24 - 2.9/5072=3, ~5053=2...(11) Peak 5088 from cnoeabs.peaks (8.35, 1.68, 31.04 ppm; 5.55 A): 3 out of 6 assignments used, quality = 0.56: H ARG 28 + HB3 GLU 51 OK 30 100 - 30 - 4.7/5089=13, 966/5089=2...(10) H ALA 72 + HB3 GLU 51 OK 29 100 - 29 - 4.6/5089=11, 5667/1.8=3...(8) H TYR 70 + HB3 GLU 51 OK 11 87 - 13 - 114/5089=1, 340/5089=1...(5) H ASN 90 - HB3 GLU 51 poor 10 73 - 13 - ~5073=3, 4.6/944=2...(4) H GLY 39 - HB3 GLU 51 lone 5 76 - 6 - 4.2/5067=2 H GLY 40 - HB3 GLU 51 lone 2 76 - 3 - Peak 5089 from cnoeabs.peaks (8.59, 1.68, 31.04 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.49: H GLY 29 + HB3 GLU 51 OK 30 99 - 31 - 4.7/5088=11, 4.6/634=3...(11) H LEU 73 + HB3 GLU 51 OK 26 85 - 31 - 4.6/5088=11, 966/5088=2...(10) Peak 5090 from cnoeabs.peaks (8.81, 1.68, 31.04 ppm; 5.20 A): 4 out of 5 assignments used, quality = 0.91: H PHE 57 + HB3 GLU 51 OK 73 95 - 78 - 5243/3.0=37, 5238/4.6=24...(16) H GLY 54 + HB3 GLU 51 OK 40 60 - 67 - 5156=13, 5158/1.8=12...(13) H LEU 34 + HB3 GLU 51 OK 34 85 - 40 - 4.7/5067=8, 5084/3.0=8...(12) H ASN 18 + HB3 GLU 51 OK 15 65 - 23 - 5243/3.0=6, 5238/4.6=5...(5) H GLY 59 - HB3 GLU 51 lone 3 71 - 4 - Peak 5091 from cnoeabs.peaks (8.78, 1.81, 36.41 ppm; 4.01 A): 4 out of 8 assignments used, quality = 0.98: H GLY 54 + HG2 GLU 51 OK 72 100 - 72 - 5155=17, 5155/1.8=15...(16) H GLY 54 + HG3 GLU 51 OK 72 100 - 72 - 5155=17, 5155/1.8=15...(16) H PHE 57 + HG2 GLU 51 OK 49 93 - 53 - 5243/3.9=21, 5246/4.9=8...(12) H PHE 57 + HG3 GLU 51 OK 49 93 - 53 - 5243/3.9=21, 5246/4.9=8...(12) H LEU 34 - HG2 GLU 51 OK 27 99 - 28 - 151=5, 151/1.8=4...(10) H LEU 34 - HG3 GLU 51 OK 27 99 - 28 - 151=5, 151/1.8=4...(10) H ASN 18 - HG2 GLU 51 OK 13 100 - 13 - 5243/3.9=3, 5246/4.9=1 H ASN 18 - HG3 GLU 51 OK 13 100 - 13 - 5243/3.9=3, 5246/4.9=1 Peak 5095 from cnoeabs.peaks (8.78, 4.27, 60.84 ppm; 4.74 A): 4 out of 4 assignments used, quality = 0.94: H GLY 54 + HA VAL 52 OK 80 100 - 80 - 232/3.6=29, 3.6/6130=28...(11) H PHE 57 + HA VAL 52 OK 52 83 - 63 - 5238/3.0=24, 985/3.6=11...(13) H ASN 18 + HA VAL 52 OK 21 99 - 21 - 5238/3.0=5, 985/3.6=4...(8) H LEU 34 + HA VAL 52 OK 17 93 - 18 - 5092/3.0=4, 985/3.6=3...(7) Peak 5096 from cnoeabs.peaks (8.02, 4.27, 60.84 ppm; 5.68 A): 1 out of 1 assignment used, quality = 0.96: H GLN 55 + HA VAL 52 OK 96 100 - 96 - 5198/3.0=49, 5143/3.6=39...(19) Peak 5097 from cnoeabs.peaks (7.21, 4.27, 60.84 ppm; 5.24 A): 3 out of 3 assignments used, quality = 0.99: QE PHE 57 + HA VAL 52 OK 94 100 - 95 - 4652/3.0=42, ~4650=28...(24) H LYS 78 + HA VAL 52 OK 50 99 - 51 - 5093/3.0=6, 881=6...(19) QD PHE 80 + HA VAL 52 OK 48 100 - 48 - ~5105=14, ~5896=7...(11) Peak 5100 from cnoeabs.peaks (7.20, 2.16, 33.84 ppm; 3.43 A): 4 out of 6 assignments used, quality = 0.95: QE PHE 57 + HG2 GLN 55 OK 71 92 - 77 - 4658=22, 5193/1.8=11...(23) QE PHE 57 + HB VAL 52 OK 65 97 - 67 - 4658=20, 4652/4.0=15...(16) QD PHE 80 + HB VAL 52 OK 35 100 - 35 - ~5105=8, ~4725=4...(11) H LYS 78 + HG2 GLN 55 OK 30 98 - 30 - 5193/1.8=6, 5186/2.9=4...(9) QD PHE 80 - HG2 GLN 55 OK 27 98 - 28 - 5193/1.8=5, 5186/2.9=3...(9) H LYS 78 - HB VAL 52 OK 20 100 - 20 - 5097/3.0=3, 5093/4.0=3...(6) Peak 5101 from cnoeabs.peaks (8.79, 0.94, 22.15 ppm; 4.76 A): 4 out of 8 assignments used, quality = 0.99: H GLY 54 + QG1 VAL 52 OK 75 95 - 79 - 232/4.3=24, 5157=22...(10) H GLY 54 + QG2 VAL 52 OK 71 90 - 79 - 232/4.3=24, 5157=23...(10) H PHE 57 + QG1 VAL 52 OK 68 100 - 68 - 5238/4.0=24, 4.4/5104=11...(18) H PHE 57 + QG2 VAL 52 OK 65 97 - 67 - 5238/4.0=24, 5237/4.3=11...(18) H ASN 18 - QG1 VAL 52 OK 20 97 - 21 - 5238/4.0=5, 4320/2.1=4...(6) H ASN 18 - QG2 VAL 52 OK 19 92 - 21 - 5238/4.0=5, 4320/2.1=4...(5) H LEU 34 - QG1 VAL 52 OK 19 100 - 19 - 5092/4.0=4, 985/4.3=3...(5) H LEU 34 - QG2 VAL 52 OK 18 97 - 19 - 5092/4.0=4, 985/4.3=3...(5) Peak 5102 from cnoeabs.peaks (8.17, 0.94, 22.15 ppm; 5.04 A): 6 out of 6 assignments used, quality = 0.90: H ARG 27 + QG1 VAL 52 OK 54 97 - 56 - 4.0/6075=13, 4.9/4547=13...(9) H ARG 27 + QG2 VAL 52 OK 52 92 - 56 - 4.0/6075=13, 4.0/6074=13...(9) H LEU 79 + QG1 VAL 52 OK 26 71 - 36 - 4.8/5132=10, 4.0/5842=5...(10) H LEU 79 + QG2 VAL 52 OK 23 66 - 36 - 4.8/5132=10, 4.0/5842=6...(10) H LEU 87 + QG1 VAL 52 OK 12 76 - 16 - 412/3.2=3, ~6130=3...(4) H LEU 87 + QG2 VAL 52 OK 11 71 - 16 - 412/3.2=3, ~6130=3...(4) Peak 5103 from cnoeabs.peaks (8.03, 0.94, 22.15 ppm; 4.47 A): 3 out of 4 assignments used, quality = 0.98: H GLN 55 + QG1 VAL 52 OK 85 97 - 88 - 5198/4.0=32, 5168=22...(16) H GLN 55 + QG2 VAL 52 OK 81 92 - 88 - 5198/4.0=32, 5168=23...(17) H GLU 51 + QG1 VAL 52 OK 47 60 - 78 - 3.0/5108=18, 4.3/5131=17...(15) H GLU 51 - QG2 VAL 52 OK 43 56 - 78 - 3.0/5108=17, 221/4.0=17...(17) Peak 5104 from cnoeabs.peaks (7.17, 0.94, 22.15 ppm; 3.30 A): 6 out of 8 assignments used, quality = 0.90: QD PHE 57 + QG1 VAL 52 OK 57 89 - 64 - 4650/4.0=12, 4671/2.1=9...(20) QD PHE 57 + QG2 VAL 52 OK 52 84 - 63 - 4650/4.0=12, 4671=10...(19) QD PHE 80 + QG1 VAL 52 OK 24 60 - 40 - 2.2/5105=13, ~5105=7...(11) QD PHE 80 + QG2 VAL 52 OK 22 56 - 39 - 2.2/5105=13, ~5105=7...(11) H LYS 78 + QG1 VAL 52 OK 11 71 - 15 - 5093/4.0=3, 881/3.2=2...(5) H LYS 78 + QG2 VAL 52 OK 10 66 - 15 - 5093/4.0=3, 881/3.2=2...(5) HD2 HIS 15 - QG1 VAL 52 lone 3 99 - 3 - HD2 HIS 15 - QG2 VAL 52 lone 3 95 - 3 - Peak 5105 from cnoeabs.peaks (7.03, 0.94, 22.15 ppm; 3.61 A): 2 out of 8 assignments used, quality = 0.74: QE PHE 80 + QG1 VAL 52 OK 50 100 - 50 - 4725/2.1=8, 4725=7...(17) QE PHE 80 + QG2 VAL 52 OK 48 97 - 49 - 4725=9, 4725/2.1=7...(17) QD PHE 46 - QG1 VAL 52 lone 3 97 - 3 - QD PHE 46 - QG2 VAL 52 lone 3 92 - 3 - HE ARG 45 - QG1 VAL 52 lone 1 76 - 1 - HE ARG 45 - QG2 VAL 52 lone 1 71 - 1 - HD2 HIS 10 - QG1 VAL 52 lone 1 78 - 1 - HD2 HIS 10 - QG2 VAL 52 lone 1 73 - 1 - Peak 5106 from cnoeabs.peaks (6.91, 0.94, 22.15 ppm; 4.17 A): 4 out of 6 assignments used, quality = 0.96: HZ PHE 57 + QG1 VAL 52 OK 61 85 - 71 - ~4658=11, 3.8/5104=10...(21) HZ PHE 80 + QG1 VAL 52 OK 56 92 - 61 - 2.2/5105=19, ~5105=12...(16) HZ PHE 57 + QG2 VAL 52 OK 55 80 - 69 - ~4658=11, 3.8/5104=9...(21) HZ PHE 80 + QG2 VAL 52 OK 52 87 - 60 - 2.2/5105=19, ~5105=12...(16) HD22 ASN 90 - QG1 VAL 52 lone 1 73 - 1 - HD22 ASN 90 - QG2 VAL 52 lone 1 68 - 1 - Peak 5107 from cnoeabs.peaks (6.81, 0.94, 22.15 ppm; 5.34 A): 6 out of 6 assignments used, quality = 0.88: HE21 GLN 55 + QG1 VAL 52 OK 50 93 - 53 - 486/2.1=11, ~494=10...(10) HE21 GLN 55 + QG2 VAL 52 OK 48 88 - 54 - 486/2.1=11, ~494=10...(10) QD TYR 32 + QG1 VAL 52 OK 25 99 - 26 - 4613/5131=11...(4) QD TYR 32 + QG2 VAL 52 OK 25 95 - 26 - 4613/5131=10...(4) QE TYR 70 + QG1 VAL 52 OK 11 98 - 11 - 5047/5131=2, 2599/2.1=2 QE TYR 70 + QG2 VAL 52 OK 11 94 - 11 - 5047/5131=2, 2599/2.1=2 Peak 5108 from cnoeabs.peaks (5.28, 0.94, 22.15 ppm; 4.17 A): 2 out of 2 assignments used, quality = 0.95: HA GLU 51 + QG1 VAL 52 OK 79 99 - 79 - 222/4.0=33, 5110/3.2=21...(15) HA GLU 51 + QG2 VAL 52 OK 76 96 - 79 - 222/4.0=33, 5110/3.2=21...(15) Peak 5109 from cnoeabs.peaks (5.29, 2.16, 33.84 ppm; 4.98 A): 2 out of 2 assignments used, quality = 0.97: HA GLU 51 + HB VAL 52 OK 89 100 - 89 - 222/4.0=43, 5110/3.0=31...(15) HA GLU 51 + HG2 GLN 55 OK 68 98 - 70 - 5200/4.9=28, 5232/4.7=24...(10) Peak 5110 from cnoeabs.peaks (5.28, 4.27, 60.84 ppm; 5.23 A): 1 out of 1 assignment used, quality = 0.95: HA GLU 51 + HA VAL 52 OK 95 99 - 96 - 222/3.0=49, ~983=24...(21) Peak 5115 from cnoeabs.peaks (0.76, 4.27, 60.84 ppm; 4.46 A): 6 out of 9 assignments used, quality = 0.91: QD1 LEU 30 + HA VAL 52 OK 56 97 - 58 - 4585/5116=10, ~4587=10...(14) QD1 LEU 79 + HA VAL 52 OK 45 78 - 58 - 5847/3.0=15, 6175/3.6=11...(16) QD2 LEU 79 + HA VAL 52 OK 37 68 - 55 - ~5847=11, 2.1/5844=9...(14) QG1 VAL 20 + HA VAL 52 OK 23 95 - 24 - 4418/3.6=9, 5117/3.0=2...(8) HG2 LYS 26 + HA VAL 52 OK 16 97 - 17 - 5134/3.6=3, 5117/3.0=2...(6) QD1 LEU 23 + HA VAL 52 OK 10 60 - 17 - 4481/5116=5, 2.1/2535=1, ~742=1 QG2 VAL 20 - HA VAL 52 poor 9 60 - 15 - ~5132=2, ~5117=2...(7) QD1 LEU 73 - HA VAL 52 lone 8 89 - 9 - 5134/3.6=1, 5169/5096=1 QD1 LEU 12 - HA VAL 52 lone 6 95 - 7 - Peak 5116 from cnoeabs.peaks (0.26, 4.27, 60.84 ppm; 5.70 A): 1 out of 1 assignment used, quality = 0.90: QG2 VAL 50 + HA VAL 52 OK 90 100 - 90 - 5114/3.0=36, 5131/3.2=26...(17) Peak 5117 from cnoeabs.peaks (0.74, 2.16, 33.84 ppm; 3.35 A): 9 out of 14 assignments used, quality = 0.93: QD1 LEU 79 + HB VAL 52 OK 56 99 - 57 - 5847=22, 5132/2.1=11...(14) QD1 LEU 79 + HG2 GLN 55 OK 40 96 - 42 - 5847=16, 5848/1.8=5...(9) QG1 VAL 20 + HG2 GLN 55 OK 24 97 - 24 - 4.3/574=4, 5182/1.8=3...(9) QG2 VAL 20 + HG2 GLN 55 OK 22 90 - 25 - 4.3/574=4, 6203/3.5=3...(10) QG1 VAL 20 + HB VAL 52 OK 18 100 - 18 - 4418/4.4=4, 5132/2.1=3...(5) QD1 LEU 30 + HB VAL 52 OK 16 65 - 24 - 2.1/4587=7, ~6200=6...(6) QG2 VAL 20 + HB VAL 52 OK 13 95 - 13 - 5132/2.1=2, 5132/2.1=2...(5) HG2 LYS 26 + HB VAL 52 OK 12 100 - 12 - 5132/2.1=2, 5132/2.1=2...(5) HG2 LYS 26 + HG2 GLN 55 OK 10 97 - 11 - 5182/1.8=1, 5170/2.9=1...(4) QD1 LEU 30 - HG2 GLN 55 poor 9 61 - 15 - 2.1/4587=3, 5182/1.8=2...(6) QD2 LEU 76 - HB VAL 52 poor 7 65 - 11 - 5132/2.1=2, 5113/4.0=2...(4) QD1 LEU 12 - HG2 GLN 55 lone 6 97 - 6 - QD1 LEU 12 - HB VAL 52 lone 5 100 - 5 - QD2 LEU 76 - HG2 GLN 55 lone 5 61 - 8 - 4666/4658=1 Peak 5118 from cnoeabs.peaks (0.25, 2.16, 33.84 ppm; 5.59 A): 2 out of 2 assignments used, quality = 0.90: QG2 VAL 50 + HB VAL 52 OK 82 92 - 89 - 5116/3.0=32, 5114/4.0=31...(15) QG2 VAL 50 + HG2 GLN 55 OK 43 87 - 50 - 5022=12, 5047/3.5=7...(12) Peak 5119 from cnoeabs.peaks (1.50, 2.16, 33.84 ppm; 5.07 A): 5 out of 26 assignments used, quality = 0.96: HG3 ARG 27 + HB VAL 52 OK 72 90 - 80 - ~4547=16, 6076/2.1=13...(18) HB2 LYS 56 + HG2 GLN 55 OK 43 98 - 45 - 2619/4.7=15, 5223/3.8=12...(9) HG LEU 79 + HB VAL 52 OK 40 65 - 62 - 2.1/5847=23, 2.1/5852=14...(14) QB ALA 72 + HG2 GLN 55 OK 37 94 - 39 - 5697/3.5=8, 5694/3.5=7...(9) HB2 LYS 56 - HB VAL 52 OK 35 100 - 35 - 4.0/243=8, 5231/5109=6...(12) HG LEU 79 + HG2 GLN 55 OK 35 61 - 58 - 2.1/5847=17, 2.1/5852=14...(13) QB ALA 72 - HB VAL 52 OK 27 98 - 27 - 5675/5118=6, ~5122=5...(8) QB ALA 71 - HG2 GLN 55 OK 26 82 - 31 - 5637/3.5=7, 5634/3.5=6...(8) QB ALA 71 - HB VAL 52 OK 24 87 - 27 - 5663/5118=6, 5624/4.4=5...(6) HB3 LYS 26 - HB VAL 52 OK 17 90 - 19 - 2.9/5117=2, ~5132=2...(8) HG LEU 34 - HG2 GLN 55 OK 17 90 - 18 - 4694/3.5=4, 760/4.7=4...(6) HD3 LYS 17 - HG2 GLN 55 OK 16 96 - 16 - 760/4.7=3, 5173/3.8=2...(4) HD2 LYS 17 - HG2 GLN 55 OK 16 96 - 16 - 760/4.7=3, 5173/3.8=2...(4) HB3 LYS 26 - HG2 GLN 55 OK 15 86 - 17 - ~5182=2, 2.9/5117=2...(6) HG3 ARG 27 - HG2 GLN 55 OK 15 86 - 17 - 5173/3.8=2, 5167/4.9=2...(4) HB2 LEU 85 - HB VAL 52 OK 14 97 - 14 - 3.0/2537=2, 5120/3.0=1...(4) HG LEU 34 - HB VAL 52 OK 12 95 - 13 - 5135/4.4=1, 5120/3.0=1 HB2 LEU 85 - HG2 GLN 55 lone 8 92 - 9 - 760/4.7=1 HD3 LYS 17 - HB VAL 52 lone 8 99 - 8 - HD2 LYS 17 - HB VAL 52 lone 8 99 - 8 - HG2 GLU 37 - HG2 GLN 55 lone 6 98 - 6 - 5202/3.5=1 HG2 GLU 37 - HB VAL 52 lone 5 100 - 5 - HD3 LYS 64 - HB VAL 52 lone 4 78 - 5 - HB2 ARG 45 - HG2 GLN 55 lone 4 96 - 4 - HD3 LYS 64 - HG2 GLN 55 lone 3 73 - 5 - HB2 ARG 45 - HB VAL 52 lone 3 99 - 3 - Peak 5120 from cnoeabs.peaks (1.51, 4.27, 60.84 ppm; 5.55 A): 3 out of 16 assignments used, quality = 0.96: HG3 ARG 27 + HA VAL 52 OK 82 100 - 82 - ~4547=15, 6076/3.2=14...(20) HB2 LYS 56 + HA VAL 52 OK 66 96 - 70 - ~6054=28, ~5235=21...(13) HG LEU 30 + HA VAL 52 OK 41 65 - 63 - ~4587=15, ~6200=14...(13) HD2 LYS 56 - HA VAL 52 OK 32 85 - 38 - ~5235=21, 5112/3.0=6...(9) QB ALA 71 - HA VAL 52 OK 31 99 - 31 - 5663/5116=9, 5624/3.6=8...(9) HB3 LEU 87 - HA VAL 52 OK 23 85 - 27 - 3.0/6130=6, 3.9/412=4...(11) HB3 LYS 26 - HA VAL 52 OK 21 100 - 21 - 2.9/5115=3, 5135/3.6=2...(10) HB2 LEU 85 - HA VAL 52 OK 20 100 - 20 - 5135/3.6=2, ~739=1...(7) QB ALA 72 - HA VAL 52 OK 20 83 - 24 - 5675/5116=9, ~5122=4...(6) HG LEU 34 - HA VAL 52 OK 18 100 - 18 - 5.1/5095=3, 5135/3.6=2...(6) HD3 LYS 64 - HA VAL 52 lone 9 97 - 9 - ~5113=2, 5112/3.0=1 HD2 LYS 17 - HA VAL 52 lone 8 100 - 8 - HD3 LYS 17 - HA VAL 52 lone 8 100 - 8 - HG2 GLU 37 - HA VAL 52 lone 8 97 - 8 - HB3 LYS 44 - HA VAL 52 lone 6 63 - 10 - 5112/3.0=2, ~226=1, ~225=1 HB2 ARG 45 - HA VAL 52 lone 4 100 - 4 - Peak 5121 from cnoeabs.peaks (1.80, 4.27, 60.84 ppm; 5.08 A): 2 out of 15 assignments used, quality = 0.97: HG2 GLU 51 + HA VAL 52 OK 82 100 - 82 - 3.9/5110=28, 3975/3.0=21...(17) HG3 GLU 51 + HA VAL 52 OK 82 100 - 82 - 3.9/5110=28, 3975/3.0=21...(17) HB2 ARG 27 - HA VAL 52 OK 44 63 - 70 - ~6074=11, 6075/3.2=10...(17) HD3 LYS 78 - HA VAL 52 OK 38 83 - 46 - 1.8/3338=6, 2.9/3318=6...(13) HB2 LYS 31 - HA VAL 52 OK 22 89 - 25 - 4604/5116=8, 4599/4.8=4...(7) HG LEU 76 - HA VAL 52 OK 21 100 - 21 - ~5113=4, 226/3.0=3...(6) HB3 GLU 33 - HA VAL 52 OK 14 97 - 15 - 4.2/5095=3, 5136/3.6=3...(5) HB2 MET 48 - HA VAL 52 lone 7 97 - 8 - 5136/3.6=2 HB2 LYS 44 - HA VAL 52 lone 7 97 - 8 - ~5112=2, 226/3.0=1, 5136/3.6=1 HB2 LYS 65 - HA VAL 52 lone 7 90 - 8 - HB2 LYS 91 - HA VAL 52 lone 7 97 - 7 - 225/3.0=1, ~224=1 HG3 GLU 37 - HA VAL 52 lone 6 90 - 6 - HB2 GLU 37 - HA VAL 52 lone 6 96 - 6 - HB2 ARG 28 - HA VAL 52 lone 5 89 - 6 - QB ALA 74 - HA VAL 52 lone 4 63 - 6 - Peak 5122 from cnoeabs.peaks (3.95, 0.94, 22.15 ppm; 4.48 A): 6 out of 12 assignments used, quality = 0.61: HA ALA 72 + QG1 VAL 52 OK 17 98 - 17 - 5671/5131=6, 2.1/5129=2...(5) HA ALA 72 + QG2 VAL 52 OK 16 94 - 17 - 5671/5131=6, 2.1/5129=2...(5) HA ALA 71 + QG1 VAL 52 OK 15 93 - 16 - 2.1/5129=2, 5004/5131=2...(5) HA ALA 71 + QG2 VAL 52 OK 14 88 - 16 - 2.1/5129=2, 5629/4671=2...(5) HA LEU 76 + QG1 VAL 52 OK 13 96 - 13 - 5774/5105=4, 4.0/5132=2 HA LEU 76 + QG2 VAL 52 OK 12 91 - 13 - 5774/5105=4, 4.0/5132=2 HA LEU 23 - QG1 VAL 52 lone 7 81 - 9 - 4711/5105=2 HA LEU 23 - QG2 VAL 52 lone 7 75 - 9 - 4711/5105=2 HA GLU 25 - QG1 VAL 52 lone 4 83 - 5 - 4512/5102=2 HA GLU 25 - QG2 VAL 52 lone 4 78 - 5 - 4512/5102=2 HA3 GLY 16 - QG1 VAL 52 lone 2 83 - 3 - HA3 GLY 16 - QG2 VAL 52 lone 2 78 - 3 - Peak 5123 from cnoeabs.peaks (3.58, 0.94, 22.15 ppm; 5.37 A): 2 out of 6 assignments used, quality = 1.00: HD3 ARG 27 + QG1 VAL 52 OK 96 100 - 96 - 2.9/6004=22, 3.0/4547=20...(31) HD3 ARG 27 + QG2 VAL 52 OK 93 97 - 96 - 2.9/6004=21, 4552=20...(31) HB3 SER 36 - QG1 VAL 52 OK 11 97 - 11 - 1789/4547=2, 1773/6075=2...(5) HB3 SER 36 - QG2 VAL 52 OK 10 93 - 11 - 1789/4547=2, 1773/6075=2...(6) HA VAL 66 - QG1 VAL 52 poor 6 60 - 11 - 1789/4547=2, 5998/6004=2...(5) HA VAL 66 - QG2 VAL 52 poor 6 56 - 11 - 1789/4547=2, 5998/6004=1...(5) Peak 5124 from cnoeabs.peaks (3.17, 0.94, 22.15 ppm; 4.27 A): 4 out of 10 assignments used, quality = 0.99: HD2 ARG 27 + QG1 VAL 52 OK 84 95 - 89 - 2.9/6004=15, 4549=15...(30) HD2 ARG 27 + QG2 VAL 52 OK 80 90 - 89 - 4549=16, 2.9/6004=15...(30) HB2 PHE 57 + QG1 VAL 52 OK 59 99 - 60 - 2.5/5104=14, ~4667=10...(12) HB2 PHE 57 + QG2 VAL 52 OK 57 96 - 60 - 2.5/5104=13, ~4667=10...(12) HB2 PHE 80 - QG1 VAL 52 OK 40 99 - 40 - 4.4/5105=12, 2.5/5104=6...(8) HB2 PHE 80 - QG2 VAL 52 OK 38 96 - 40 - 4.4/5105=12, 2.5/5104=5...(8) HD3 PRO 81 - QG1 VAL 52 lone 8 92 - 9 - 4.8/5125=3, 4717/5105=1 HD3 PRO 81 - QG2 VAL 52 lone 8 87 - 9 - 4.8/5125=3, 4717/5105=1 HD2 ARG 28 - QG1 VAL 52 lone 7 97 - 7 - HD2 ARG 28 - QG2 VAL 52 lone 7 93 - 8 - Peak 5125 from cnoeabs.peaks (2.90, 0.94, 22.15 ppm; 4.58 A): 3 out of 16 assignments used, quality = 0.95: HB2 ASP 53 + QG1 VAL 52 OK 73 100 - 73 - 745/4.3=21, 1.8/5141=20...(12) HB2 ASP 53 + QG2 VAL 52 OK 72 98 - 73 - 745/4.3=21, 1.8/5141=20...(12) HB3 PHE 80 + QG1 VAL 52 OK 41 95 - 43 - 4.4/5105=14, 2.5/5104=6...(10) HB3 PHE 80 - QG2 VAL 52 OK 39 90 - 43 - 4.4/5105=13, 2.5/5104=5...(10) HB2 ASN 24 - QG1 VAL 52 lone 5 71 - 7 - 745/4.3=1 HB2 ASN 24 - QG2 VAL 52 lone 5 66 - 7 - 745/4.3=1 HE3 LYS 65 - QG1 VAL 52 lone 5 96 - 5 - HE3 LYS 65 - QG2 VAL 52 lone 4 91 - 5 - HE2 LYS 65 - QG1 VAL 52 lone 4 90 - 5 - HE2 LYS 65 - QG2 VAL 52 lone 4 85 - 5 - HB2 ASN 63 - QG1 VAL 52 lone 4 89 - 4 - HB2 ASN 63 - QG2 VAL 52 lone 4 84 - 4 - HE3 LYS 14 - QG1 VAL 52 lone 3 95 - 3 - HE3 LYS 14 - QG2 VAL 52 lone 3 90 - 3 - HE2 LYS 14 - QG1 VAL 52 lone 3 90 - 3 - HE2 LYS 14 - QG2 VAL 52 lone 2 85 - 3 - Peak 5126 from cnoeabs.peaks (2.79, 0.94, 22.15 ppm; 3.97 A): 4 out of 8 assignments used, quality = 0.96: HB3 ASP 53 + QG1 VAL 52 OK 62 97 - 64 - 5141=17, 746/4.3=15...(12) HB3 ASP 53 + QG2 VAL 52 OK 59 92 - 64 - 5141=17, 746/4.3=15...(12) HB3 PHE 57 + QG1 VAL 52 OK 51 97 - 52 - 2.5/5104=13, ~4667=8...(11) HB3 PHE 57 + QG2 VAL 52 OK 49 93 - 52 - 2.5/5104=12, ~4667=8...(11) HE3 LYS 56 - QG1 VAL 52 OK 11 87 - 13 - 3.0/5130=2, 746/4.3=1...(4) HE3 LYS 56 - QG2 VAL 52 OK 11 82 - 13 - 3.0/5130=2, 746/4.3=1 HE2 LYS 56 - QG1 VAL 52 poor 9 78 - 12 - 3.0/5130=2, 5236/5108=1 HE2 LYS 56 - QG2 VAL 52 poor 9 73 - 12 - 3.0/5130=2 Peak 5127 from cnoeabs.peaks (1.77, 0.94, 22.15 ppm; 3.72 A): 3 out of 28 assignments used, quality = 0.96: HB2 ARG 27 + QG1 VAL 52 OK 75 100 - 75 - 6075=11, 2.9/4547=11...(23) HB2 ARG 27 + QG2 VAL 52 OK 73 97 - 75 - 6075=12, 2.9/4547=11...(23) HB3 GLN 55 + QG1 VAL 52 OK 44 78 - 56 - 3.9/5168=9, 2589/2.1=6...(21) HB3 GLN 55 - QG2 VAL 52 OK 41 73 - 56 - 3.9/5168=9, 2589/2.1=6...(21) HD3 LYS 78 - QG1 VAL 52 OK 19 96 - 20 - 3348/3.2=4, ~3338=2...(7) HD3 LYS 78 - QG2 VAL 52 OK 18 91 - 20 - 3348/3.2=4, ~3338=2...(7) HB2 LYS 31 - QG1 VAL 52 OK 13 92 - 14 - 4604/5131=3, 1932/4547=1...(4) HB2 LYS 31 - QG2 VAL 52 OK 12 87 - 14 - 4604/5131=3, 1932/4547=1...(4) QB ALA 74 - QG1 VAL 52 OK 11 100 - 11 - 5730/5104=3, 5720/5126=1 QB ALA 74 - QG2 VAL 52 OK 11 97 - 11 - 5730/5104=3, 5720/5126=1 HB3 ARG 28 - QG1 VAL 52 lone 6 100 - 6 - HB3 ARG 28 - QG2 VAL 52 lone 6 97 - 6 - HB2 ARG 28 - QG1 VAL 52 lone 5 92 - 6 - HB2 ARG 28 - QG2 VAL 52 lone 5 87 - 6 - HB2 LYS 65 - QG1 VAL 52 lone 5 90 - 5 - HB2 LEU 73 - QG1 VAL 52 lone 5 87 - 5 - HB2 LEU 73 - QG2 VAL 52 lone 5 82 - 6 - HB2 LYS 65 - QG2 VAL 52 lone 5 85 - 5 - HG3 GLU 37 - QG1 VAL 52 lone 3 90 - 3 - HG3 GLU 37 - QG2 VAL 52 lone 3 85 - 3 - HB2 MET 48 - QG1 VAL 52 lone 3 78 - 4 - QE MET 11 - QG1 VAL 52 lone 3 100 - 3 - QE MET 11 - QG2 VAL 52 lone 3 97 - 3 - HB2 MET 48 - QG2 VAL 52 lone 3 73 - 4 - HB3 MET 48 - QG1 VAL 52 lone 3 83 - 3 - HB3 MET 48 - QG2 VAL 52 lone 3 78 - 3 - HB2 LYS 91 - QG1 VAL 52 lone 2 81 - 3 - HB2 LYS 91 - QG2 VAL 52 lone 2 75 - 3 - Peak 5128 from cnoeabs.peaks (1.68, 0.94, 22.15 ppm; 3.76 A): 5 out of 22 assignments used, quality = 0.98: HB3 ARG 27 + QG1 VAL 52 OK 64 85 - 76 - 2.9/4547=12, 1.8/6075=11...(25) HB3 ARG 27 + QG2 VAL 52 OK 61 80 - 76 - 2.9/4547=12, 1.8/6075=11...(25) HB3 GLU 51 + QG1 VAL 52 OK 55 100 - 55 - 3.0/5108=13, 4.6/741=10...(13) HB3 GLU 51 + QG2 VAL 52 OK 53 97 - 55 - 3.0/5108=12, 4.6/741=10...(13) HB2 LEU 30 + QG1 VAL 52 OK 47 96 - 50 - 1.8/6200=20, ~6200=11...(11) HB2 LEU 30 - QG2 VAL 52 OK 45 91 - 49 - 1.8/6200=18, ~6200=12...(11) HG2 LYS 78 - QG1 VAL 52 OK 18 78 - 23 - 224/4.0=3, 3318/3.2=3...(11) HG2 LYS 78 - QG2 VAL 52 OK 17 73 - 23 - 224/4.0=3, 3318/3.2=3...(11) HB3 LYS 31 - QG1 VAL 52 poor 10 81 - 12 - 1.8/5127=1, 3.0/5130=1 HB3 LYS 31 - QG2 VAL 52 poor 9 75 - 12 - 224/4.0=1, 3.0/5130=1 HD3 LYS 31 - QG1 VAL 52 lone 8 99 - 8 - 3.0/5130=1 HD2 LYS 31 - QG1 VAL 52 lone 8 99 - 8 - 3.0/5130=1 HD3 LYS 31 - QG2 VAL 52 lone 8 96 - 8 - 3.0/5130=1 HD2 LYS 31 - QG2 VAL 52 lone 7 95 - 8 - 3.0/5130=1 HB3 LEU 73 - QG1 VAL 52 lone 6 99 - 6 - HB3 LEU 73 - QG2 VAL 52 lone 5 95 - 6 - HB3 LYS 91 - QG1 VAL 52 lone 4 99 - 4 - HG3 ARG 28 - QG1 VAL 52 lone 4 89 - 4 - HB3 LYS 91 - QG2 VAL 52 lone 4 95 - 4 - HG3 ARG 28 - QG2 VAL 52 lone 3 84 - 4 - HG2 ARG 28 - QG1 VAL 52 lone 3 85 - 4 - HG2 ARG 28 - QG2 VAL 52 lone 3 80 - 4 - Peak 5129 from cnoeabs.peaks (1.50, 0.94, 22.15 ppm; 3.25 A): 4 out of 26 assignments used, quality = 0.90: HG3 ARG 27 + QG1 VAL 52 OK 60 90 - 67 - 1.8/4547=11, 6076/2.1=7...(23) HG3 ARG 27 + QG2 VAL 52 OK 57 85 - 67 - 1.8/4547=10, 6076=7...(23) HG LEU 79 + QG1 VAL 52 OK 25 65 - 39 - 2.1/5132=10, ~5847=8...(14) HG LEU 79 + QG2 VAL 52 OK 23 61 - 39 - 2.1/5132=10, ~5847=8...(14) HB2 LYS 56 - QG1 VAL 52 OK 14 100 - 14 - 4.6/5101=2, 5231/5108=2...(5) HB2 LYS 56 - QG2 VAL 52 OK 14 97 - 14 - 4.6/5101=2, 5231/5108=2 QB ALA 72 - QG1 VAL 52 OK 14 98 - 14 - 2.1/5122=3, 5675/5131=2, ~5122=2 QB ALA 71 - QG1 VAL 52 OK 13 87 - 15 - 2.1/5122=2, 5663/5131=2...(4) QB ALA 72 - QG2 VAL 52 OK 13 94 - 14 - 2.1/5122=3, 5675/5131=2, ~5122=2 QB ALA 71 - QG2 VAL 52 OK 13 82 - 16 - 2.1/5122=2, 5624/4.3=2...(4) HB3 LYS 26 - QG1 VAL 52 OK 11 90 - 13 - 4.3/5102=3, 2.9/5132=2 HB3 LYS 26 - QG2 VAL 52 OK 11 85 - 12 - 4.3/5102=3, 2.9/5132=2 HG LEU 34 - QG1 VAL 52 lone 6 95 - 6 - HG LEU 34 - QG2 VAL 52 lone 6 90 - 6 - HB2 LEU 85 - QG1 VAL 52 lone 5 97 - 5 - HB2 LEU 85 - QG2 VAL 52 lone 5 92 - 5 - HD3 LYS 17 - QG1 VAL 52 lone 3 99 - 3 - HD2 LYS 17 - QG1 VAL 52 lone 3 99 - 3 - HD2 LYS 17 - QG2 VAL 52 lone 3 96 - 3 - HD3 LYS 17 - QG2 VAL 52 lone 3 96 - 3 - HG2 GLU 37 - QG1 VAL 52 lone 3 100 - 3 - HG2 GLU 37 - QG2 VAL 52 lone 2 98 - 2 - HD3 LYS 64 - QG1 VAL 52 lone 2 78 - 3 - HD3 LYS 64 - QG2 VAL 52 lone 2 73 - 3 - HB2 ARG 45 - QG1 VAL 52 lone 1 99 - 1 - HB2 ARG 45 - QG2 VAL 52 lone 1 96 - 1 - Peak 5130 from cnoeabs.peaks (1.41, 0.94, 22.15 ppm; 3.72 A): 4 out of 14 assignments used, quality = 0.94: HG2 ARG 27 + QG1 VAL 52 OK 75 96 - 78 - 4547=16, 4547/2.1=13...(25) HG2 ARG 27 + QG2 VAL 52 OK 71 91 - 78 - 4547=16, 4547/2.1=13...(25) HD3 LYS 56 + QG1 VAL 52 OK 12 95 - 13 - 5234/5108=3, 3.4/5129=1...(4) HD3 LYS 56 + QG2 VAL 52 OK 12 90 - 13 - 5234/5108=3, 3.4/5129=1...(4) HG2 LYS 31 - QG1 VAL 52 lone 9 100 - 10 - HG2 LYS 31 - QG2 VAL 52 lone 9 97 - 10 - HB3 LYS 56 - QG1 VAL 52 poor 8 63 - 13 - 4.6/5101=3, 1.8/5129=2...(6) HB3 LYS 56 - QG2 VAL 52 poor 7 58 - 13 - 4.6/5101=3, 1.8/5129=2...(6) HB3 LEU 34 - QG1 VAL 52 lone 6 90 - 7 - HB3 LEU 34 - QG2 VAL 52 lone 6 85 - 7 - HD2 LYS 44 - QG1 VAL 52 lone 3 92 - 3 - HD2 LYS 44 - QG2 VAL 52 lone 3 87 - 3 - QB ALA 69 - QG1 VAL 52 lone 2 81 - 3 - QB ALA 69 - QG2 VAL 52 lone 2 75 - 2 - Peak 5131 from cnoeabs.peaks (0.25, 0.94, 22.15 ppm; 3.07 A): 2 out of 2 assignments used, quality = 0.60: QG2 VAL 50 + QG1 VAL 52 OK 38 97 - 39 - 5116/3.2=8, 5114/4.0=8...(11) QG2 VAL 50 + QG2 VAL 52 OK 35 93 - 38 - 5116/3.2=8, 5114/4.0=8...(10) Peak 5132 from cnoeabs.peaks (0.74, 0.94, 22.15 ppm; 2.60 A): 2 out of 12 assignments used, quality = 0.48: QD1 LEU 79 + QG1 VAL 52 OK 28 100 - 28 - 5847/2.1=9, 6175/4.3=3...(10) QD1 LEU 79 + QG2 VAL 52 OK 28 97 - 29 - 5847/2.1=9, 6175/4.3=3...(9) QG1 VAL 20 - QG1 VAL 52 lone 8 99 - 8 - 4418/4.3=2, 5117/2.1=1 QG1 VAL 20 - QG2 VAL 52 lone 8 95 - 8 - 4418/4.3=2, 5117/2.1=1 HG2 LYS 26 - QG1 VAL 52 lone 6 97 - 6 - HG2 LYS 26 - QG2 VAL 52 lone 6 93 - 6 - QG2 VAL 20 - QG1 VAL 52 lone 5 99 - 5 - 5117/2.1=1 QG2 VAL 20 - QG2 VAL 52 lone 5 95 - 5 - 5117/2.1=1 QD2 LEU 76 - QG1 VAL 52 lone 5 78 - 6 - 5113/4.0=1, 5787/5105=1 QD2 LEU 76 - QG2 VAL 52 lone 5 73 - 6 - 5113/4.0=1, 5787/5105=1 QD1 LEU 12 - QG2 VAL 52 lone 2 95 - 2 - QD1 LEU 12 - QG1 VAL 52 lone 2 99 - 2 - Peak 5139 from cnoeabs.peaks (0.93, 2.90, 38.14 ppm; 4.72 A): 5 out of 10 assignments used, quality = 0.94: QG2 VAL 52 + HB2 ASP 53 OK 70 95 - 74 - 4.3/745=22, 5141/1.8=19...(12) QG1 VAL 52 + HB2 ASP 53 OK 64 87 - 74 - 4.3/745=22, 5141/1.8=19...(12) HB3 LEU 30 + HB2 ASP 53 OK 33 63 - 53 - 3.0/2556=7, 3.1/5140=6...(17) QD2 LEU 23 + HB2 ASN 24 OK 12 53 - 22 - 82/3.7=14, 4503/4.6=6 QD2 LEU 23 + HB2 ASP 53 OK 11 95 - 12 - 5141/1.8=2, 231/4.1=2...(4) HD3 LYS 26 - HB2 ASN 24 poor 5 31 - 17 - 82/3.7=7, 4503/4.6=5, 3.0/5140=1 HD3 LYS 26 - HB2 ASP 53 lone 5 63 - 8 - ~5142=2, 3.0/5140=2 HB3 LEU 30 - HB2 ASN 24 poor 5 31 - 17 - 82/3.7=5, 4503/4.6=2...(6) QG2 VAL 52 - HB2 ASN 24 lone 4 53 - 8 - 4.3/745=1 QG1 VAL 52 - HB2 ASN 24 lone 3 46 - 7 - 4.3/745=1 Peak 5140 from cnoeabs.peaks (0.75, 2.90, 38.14 ppm; 3.78 A): 7 out of 14 assignments used, quality = 0.88: QD1 LEU 79 + HB2 ASP 53 OK 52 89 - 58 - 5846/1.8=32, ~5851=11...(8) QD1 LEU 30 + HB2 ASP 53 OK 34 90 - 38 - 5142/1.8=8, 5134/4.1=5...(11) QG1 VAL 20 + HB2 ASN 24 OK 28 57 - 50 - 4406/3.5=21, 4414/3.7=17...(8) QD1 LEU 12 + HB2 ASN 24 OK 16 57 - 27 - 4500/3.5=4, 4497/3.5=4...(13) QG1 VAL 20 + HB2 ASP 53 OK 15 99 - 15 - 4418/4.1=6, 5142/1.8=4, ~5142=1 QG2 VAL 20 + HB2 ASN 24 OK 15 37 - 40 - ~4406=12, 4497/3.5=7...(9) QD1 LEU 79 + HB2 ASN 24 OK 11 48 - 24 - 4500/3.5=4, 4497/3.5=3...(9) HG2 LYS 26 - HB2 ASP 53 lone 8 99 - 8 - 5142/1.8=2, 5134/4.1=2 QG2 VAL 20 - HB2 ASP 53 lone 7 73 - 9 - ~5142=2, 5142/1.8=2, 5134/4.1=1 HG2 LYS 26 - HB2 ASN 24 poor 6 59 - 11 - 4489/3.7=4, 4504/4.6=3...(4) QD1 LEU 30 - HB2 ASN 24 poor 6 49 - 12 - 4489/3.7=3, 6031/3.0=2...(5) QD1 LEU 73 - HB2 ASP 53 lone 5 78 - 6 - 5142/1.8=1 QD1 LEU 12 - HB2 ASP 53 lone 4 99 - 4 - 5142/1.8=1 QD1 LEU 73 - HB2 ASN 24 lone 3 40 - 8 - 4504/4.6=3, 4489/3.7=2 Peak 5141 from cnoeabs.peaks (0.94, 2.78, 38.14 ppm; 4.35 A): 2 out of 3 assignments used, quality = 0.88: QG2 VAL 52 + HB3 ASP 53 OK 66 100 - 66 - 4.3/746=19, 5126=11...(12) QG1 VAL 52 + HB3 ASP 53 OK 65 99 - 66 - 4.3/746=19, 5126=11...(12) QD2 LEU 23 - HB3 ASP 53 lone 7 73 - 9 - 5139/1.8=2, 231/4.1=1 Peak 5142 from cnoeabs.peaks (0.75, 2.78, 38.14 ppm; 3.93 A): 3 out of 7 assignments used, quality = 0.81: QD1 LEU 79 + HB3 ASP 53 OK 68 96 - 71 - 5846=47, 2.1/5851=17...(11) QD1 LEU 30 + HB3 ASP 53 OK 31 81 - 39 - 5140/1.8=6, 5134/4.1=5...(11) QG1 VAL 20 + HB3 ASP 53 OK 15 100 - 15 - 4418/4.1=6, 5140/1.8=3 QG2 VAL 20 - HB3 ASP 53 poor 9 85 - 10 - ~5140=2, 5140/1.8=1, 5134/4.1=1 HG2 LYS 26 - HB3 ASP 53 lone 8 100 - 8 - 5134/4.1=2, 5140/1.8=1 QD1 LEU 73 - HB3 ASP 53 lone 4 65 - 7 - 5709/5208=1 QD1 LEU 12 - HB3 ASP 53 lone 4 100 - 4 - 3417/5851=1 Peak 5144 from cnoeabs.peaks (8.02, 2.78, 38.14 ppm; 5.94 A): 1 out of 1 assignment used, quality = 0.92: H GLN 55 + HB3 ASP 53 OK 92 100 - 92 - 986/4.6=44, 5143/4.1=38...(12) Peak 5145 from cnoeabs.peaks (7.55, 2.78, 38.14 ppm; 5.15 A): 1 out of 5 assignments used, quality = 0.79: HE22 GLN 55 + HB3 ASP 53 OK 79 96 - 83 - 1.7/5208=36, 5205=35...(7) H ALA 69 - HB3 ASP 53 poor 8 63 - 12 - 5869/5851=3, 5148/1.8=2...(5) H ASN 63 - HB3 ASP 53 lone 6 65 - 10 - 5148/1.8=2, 757/5144=1 H SER 36 - HB3 ASP 53 lone 5 95 - 6 - 5148/1.8=2, 5205=1 H LYS 44 - HB3 ASP 53 lone 2 76 - 3 - Peak 5146 from cnoeabs.peaks (6.81, 2.78, 38.14 ppm; 5.99 A): 3 out of 3 assignments used, quality = 0.91: HE21 GLN 55 + HB3 ASP 53 OK 87 98 - 89 - 5208=39, 1.7/5145=38...(9) QD TYR 32 + HB3 ASP 53 OK 17 95 - 18 - 5873/5851=4, 5149/1.8=3...(7) QE TYR 70 + HB3 ASP 53 OK 14 100 - 14 - 5149/1.8=3, 5873/5851=3 Peak 5147 from cnoeabs.peaks (8.05, 2.90, 38.14 ppm; 5.92 A): 2 out of 6 assignments used, quality = 0.68: H GLN 55 + HB2 ASP 53 OK 51 65 - 78 - 4.5/234=29, 5143/4.1=25...(10) H GLU 51 + HB2 ASP 53 OK 34 95 - 36 - 216/4.1=14, 5053/3.0=8...(6) H GLN 55 - HB2 ASN 24 poor 4 32 - 11 - 5178=2, 4.5/234=1, 6.8/5206=1 H THR 83 - HB2 ASP 53 lone 3 73 - 4 - H GLU 51 - HB2 ASN 24 lone 2 53 - 5 - H THR 83 - HB2 ASN 24 lone 2 37 - 4 - Peak 5148 from cnoeabs.peaks (7.55, 2.90, 38.14 ppm; 5.16 A): 2 out of 10 assignments used, quality = 0.80: HE22 GLN 55 + HB2 ASP 53 OK 76 96 - 80 - 5145/1.8=32, ~5208=28...(8) H ASN 63 + HB2 ASN 24 OK 19 32 - 59 - 2.9/2801=12, 4.0/2813=11...(12) H ASN 63 - HB2 ASP 53 poor 7 65 - 10 - 5145/1.8=3, 2.9/2801=1 H ALA 69 - HB2 ASP 53 lone 6 63 - 9 - 5145/1.8=3, 5869/5850=1 H SER 36 - HB2 ASP 53 lone 5 95 - 5 - 5145/1.8=2 HE22 GLN 55 - HB2 ASN 24 lone 5 54 - 8 - 5206=2, 1.7/5149=1 H LYS 44 - HB2 ASN 24 lone 3 39 - 7 - 4794/4157=4 H LYS 44 - HB2 ASP 53 lone 2 76 - 3 - H ALA 69 - HB2 ASN 24 lone 1 31 - 4 - H SER 36 - HB2 ASN 24 lone 1 53 - 2 - Peak 5149 from cnoeabs.peaks (6.79, 2.90, 38.14 ppm; 6.20 A): 2 out of 6 assignments used, quality = 0.90: HE21 GLN 55 + HB2 ASP 53 OK 89 100 - 89 - 5208/1.8=40, ~5145=33...(10) QE TYR 70 + HB2 ASP 53 OK 12 99 - 12 - 5146/1.8=5, 5873/5850=1 QD TYR 32 - HB2 ASN 24 poor 10 37 - 27 - ~2029=3, ~4616=3...(9) QD TYR 32 - HB2 ASP 53 poor 10 73 - 14 - 5146/1.8=6, 5873/5850=2 HE21 GLN 55 - HB2 ASN 24 lone 6 60 - 10 - 1.7/5206=2, 6.8/5178=1 QE TYR 70 - HB2 ASN 24 lone 3 58 - 6 - Peak 5150 from cnoeabs.peaks (8.03, 4.24, 54.76 ppm; 4.76 A): 3 out of 4 assignments used, quality = 0.88: H GLN 55 + HA ASP 53 OK 82 99 - 82 - 986/3.6=41, 5143/2.9=32...(7) H GLN 55 + HA LEU 87 OK 19 85 - 23 - 987/2.9=4, 5179=4...(8) H GLN 55 + HA LEU 30 OK 18 84 - 22 - 5169/4.0=4, 4.5/233=4...(8) H GLN 55 - HA LEU 85 poor 8 75 - 11 - 5179=2, 5167/3.0=1 Peak 5151 from cnoeabs.peaks (7.31, 4.07, 45.16 ppm; 5.68 A): 3 out of 6 assignments used, quality = 0.76: QD TYR 70 + HA3 GLY 61 OK 55 83 - 66 - 5347/4.9=14, 4692=14...(12) QD TYR 70 + HA3 GLY 54 OK 37 89 - 41 - 4692=9, 2.5/5593=8...(8) HZ PHE 46 + HA3 GLY 61 OK 16 95 - 17 - 5347/4.9=5, ~5385=4 QE PHE 46 - HA3 GLY 61 poor 8 53 - 14 - 5347/4.9=5, 5471/5379=1 HZ PHE 46 - HA3 GLY 54 lone 5 99 - 5 - QE PHE 46 - HA3 GLY 54 lone 4 57 - 6 - Peak 5153 from cnoeabs.peaks (6.07, 4.07, 45.16 ppm; 5.90 A): 2 out of 2 assignments used, quality = 0.92: HA ALA 60 + HA3 GLY 61 OK 89 93 - 96 - 275/2.9=49, ~4013=33...(12) HA ALA 60 + HA3 GLY 54 OK 28 97 - 28 - 3.6/2784=9, 5361=6...(7) Peak 5160 from cnoeabs.peaks (2.02, 3.64, 45.16 ppm; 6.13 A): 5 out of 9 assignments used, quality = 0.85: HG3 GLN 55 + HA2 GLY 54 OK 49 85 - 58 - 2601/3.6=40, ~5159=14...(4) HB2 GLN 55 + HA2 GLY 54 OK 46 87 - 53 - 2577/3.6=37, ~5159=12...(4) HB2 LEU 34 + HA2 GLY 54 OK 21 73 - 28 - 5158/3.0=6, ~2082=5...(8) HG2 GLU 49 + HA2 GLY 54 OK 18 100 - 18 - 4935/3.0=6, ~4940=4...(4) HB3 GLU 49 + HA2 GLY 54 OK 17 100 - 17 - 4937/3.0=5, ~4935=4...(4) HB2 LYS 78 - HA2 GLY 54 poor 9 71 - 13 - ~5156=4, 5158/3.0=3...(4) HB2 LEU 23 - HA2 GLY 54 lone 6 100 - 6 - ~5157=1 HG2 PRO 84 - HA2 GLY 54 lone 3 76 - 4 - HB2 GLU 25 - HA2 GLY 54 lone 2 68 - 3 - Peak 5161 from cnoeabs.peaks (1.80, 3.64, 45.16 ppm; 4.44 A): 3 out of 15 assignments used, quality = 0.92: HG2 GLU 51 + HA2 GLY 54 OK 71 98 - 72 - 5077=17, 1.8/5077=15...(12) HG3 GLU 51 + HA2 GLY 54 OK 70 97 - 72 - 5077=17, 1.8/5077=15...(12) HB3 GLU 33 + HA2 GLY 54 OK 15 90 - 16 - 5155/3.0=5, ~3912=3...(7) HB2 LYS 31 - HA2 GLY 54 lone 5 96 - 6 - ~5156=2, 5155/3.0=2 HD3 LYS 78 - HA2 GLY 54 lone 5 92 - 5 - ~5156=2, 5155/3.0=1 HB2 LYS 91 - HA2 GLY 54 lone 3 99 - 3 - HB2 MET 48 - HA2 GLY 54 lone 3 100 - 3 - HG3 GLU 37 - HA2 GLY 54 lone 3 97 - 3 - HB2 LYS 44 - HA2 GLY 54 lone 3 90 - 3 - HB2 GLU 37 - HA2 GLY 54 lone 3 89 - 3 - HB2 LYS 65 - HA2 GLY 54 lone 3 97 - 3 - HG LEU 76 - HA2 GLY 54 lone 3 98 - 3 - HB2 ARG 27 - HA2 GLY 54 lone 2 76 - 3 - ~5156=2 HB2 ARG 28 - HA2 GLY 54 lone 2 96 - 2 - QB ALA 74 - HA2 GLY 54 lone 1 76 - 1 - Peak 5164 from cnoeabs.peaks (1.82, 4.07, 45.16 ppm; 4.16 A): 3 out of 22 assignments used, quality = 0.92: HG3 GLU 51 + HA3 GLY 54 OK 63 96 - 66 - 6134/3.6=13, 5077/1.8=13...(12) HG2 GLU 51 + HA3 GLY 54 OK 62 95 - 66 - 6134/3.6=13, 5077/1.8=13...(12) HB VAL 66 + HA3 GLY 61 OK 46 73 - 63 - 2.1/5379=15, ~5378=13...(11) HB VAL 66 - HA3 GLY 54 OK 20 78 - 25 - 2.1/5166=6, 2.1/5462=4...(8) HG LEU 76 - HA3 GLY 61 OK 18 90 - 20 - 3236/2.9=6, ~3250=4...(6) HB3 GLU 33 - HA3 GLY 54 OK 15 99 - 15 - 5155/3.0=4, ~3912=2...(7) HB2 GLU 37 - HA3 GLY 61 lone 6 96 - 6 - HB2 MET 48 - HA3 GLY 61 lone 6 61 - 10 - 4.0/4873=7 HB2 GLU 49 - HA3 GLY 54 lone 6 71 - 8 - ~4937=2, ~4935=2...(4) HB2 LYS 44 - HA3 GLY 61 lone 5 96 - 6 - 2.9/5380=1 HG3 GLU 51 - HA3 GLY 61 lone 5 91 - 5 - HG2 GLU 51 - HA3 GLY 61 lone 5 90 - 5 - HB2 GLU 37 - HA3 GLY 54 lone 4 100 - 4 - HB2 LYS 91 - HA3 GLY 61 lone 4 58 - 6 - 3.0/5380=1, 3.0/5380=1 HB2 LYS 44 - HA3 GLY 54 lone 3 99 - 3 - HB2 MET 48 - HA3 GLY 54 lone 3 65 - 4 - 4.0/4873=1 HG LEU 76 - HA3 GLY 54 lone 3 95 - 3 - HB3 GLU 33 - HA3 GLY 61 lone 2 96 - 3 - HB2 LYS 91 - HA3 GLY 54 lone 3 63 - 4 - HB2 GLU 22 - HA3 GLY 61 lone 2 73 - 2 - HB2 GLU 49 - HA3 GLY 61 lone 1 66 - 2 - HB2 GLU 22 - HA3 GLY 54 lone 1 78 - 1 - Peak 5166 from cnoeabs.peaks (1.11, 4.07, 45.16 ppm; 3.96 A): 4 out of 6 assignments used, quality = 0.84: QG1 VAL 66 + HA3 GLY 61 OK 57 95 - 60 - 5378/1.8=19, 5372/2.9=11...(13) QG2 THR 13 + HA3 GLY 61 OK 41 95 - 43 - 5378/1.8=15, 2.1/2785=8...(8) QG1 VAL 66 + HA3 GLY 54 OK 24 99 - 23 - 2.1/5462=4, 3013/1.8=3...(10) HG3 LYS 14 + HA3 GLY 61 OK 16 92 - 17 - 5378/1.8=5, 4.9/4015=3...(4) QG2 THR 13 - HA3 GLY 54 lone 7 99 - 7 - HG3 LYS 14 - HA3 GLY 54 lone 3 97 - 3 - Peak 5170 from cnoeabs.peaks (0.75, 2.04, 31.63 ppm; 4.47 A): 6 out of 14 assignments used, quality = 0.92: QD1 LEU 79 + HB2 GLN 55 OK 54 96 - 57 - 5847/2.9=13, 5848=9...(16) QG1 VAL 20 + HB2 GLN 55 OK 38 100 - 38 - 5182/2.9=5, 5169/3.9=4...(12) QG2 VAL 20 + HB2 GLN 55 OK 32 85 - 37 - 6203/4.5=4, 4.3/5187=4...(12) QG1 VAL 20 + HB2 MET 21 OK 27 41 - 66 - 3839/4.0=18, 4439/1.8=9...(15) QD1 LEU 73 + HB2 GLN 55 OK 25 65 - 38 - 5182/2.9=4, 3.1/2580=4...(17) QD1 LEU 30 + HB2 GLN 55 OK 22 81 - 28 - ~4587=5, 5182/2.9=4...(11) QG2 VAL 20 - HB2 MET 21 OK 19 30 - 63 - 3840/4.0=14, 4432/3.0=8...(14) HG2 LYS 26 - HB2 GLN 55 OK 18 100 - 18 - 5182/2.9=3, 5169/3.9=3...(4) QD1 LEU 79 - HB2 MET 21 OK 13 37 - 36 - 5847/1.8=9, 5848=4...(9) QD1 LEU 12 - HB2 GLN 55 OK 12 100 - 12 - 5169/3.9=2, 5182/2.9=2...(4) HG2 LYS 26 - HB2 MET 21 poor 6 42 - 14 - 4439/1.8=2, 62/4.0=2...(7) QD1 LEU 12 - HB2 MET 21 poor 5 41 - 12 - 62/4.0=2, 4439/1.8=2...(5) QD1 LEU 30 - HB2 MET 21 lone 2 28 - 6 - ~4587=2 QD1 LEU 73 - HB2 MET 21 lone 1 22 - 5 - Peak 5171 from cnoeabs.peaks (0.93, 2.04, 31.63 ppm; 6.15 A): 2 out of 10 assignments used, quality = 0.96: QG2 VAL 52 + HB2 GLN 55 OK 82 95 - 87 - 5168/3.9=20, 5181/1.8=13...(25) QG1 VAL 52 + HB2 GLN 55 OK 75 87 - 87 - 5168/3.9=20, 5181/1.8=12...(25) QD2 LEU 23 - HB2 GLN 55 OK 36 95 - 38 - 5181/1.8=5, 5168/3.9=3...(16) HB3 LEU 30 - HB2 GLN 55 OK 20 63 - 32 - ~4587=7, ~5182=4...(10) HD3 LYS 26 - HB2 GLN 55 OK 14 63 - 22 - 3.0/5170=3, ~5182=3...(7) QG2 VAL 52 - HB2 MET 21 poor 9 36 - 23 - ~2533=4, ~1509=3...(8) QG1 VAL 52 - HB2 MET 21 poor 7 31 - 23 - ~2533=4, ~1509=3...(8) HD3 LYS 26 - HB2 MET 21 poor 3 21 - 15 - ~4439=3, ~4437=2...(5) QD2 LEU 23 - HB2 MET 21 lone 3 36 - 8 - 4.8/75=4 HB3 LEU 30 - HB2 MET 21 lone 2 21 - 8 - ~4587=3 Peak 5173 from cnoeabs.peaks (1.50, 4.42, 54.02 ppm; 4.52 A): 8 out of 13 assignments used, quality = 0.91: HB2 LYS 56 + HA GLN 55 OK 62 100 - 62 - 4.0/240=27, 1.8/5224=17...(9) QB ALA 72 + HA GLN 55 OK 32 100 - 32 - 6102/3.0=5, 5697/5.7=4...(10) HG LEU 79 + HA GLN 55 OK 25 81 - 31 - ~5169=6, 5.0/3986=4...(9) QB ALA 71 + HA GLN 55 OK 21 73 - 28 - 5651=4, 5637/5.7=3...(10) HD2 LYS 17 + HA GLN 55 OK 15 95 - 16 - 760/3.6=4, 3.0/5226=1 HD3 LYS 17 + HA GLN 55 OK 15 95 - 16 - 760/3.6=4, 3.0/5226=1 HG3 ARG 27 + HA GLN 55 OK 11 78 - 15 - 5.0/622=2, 4.9/4556=2...(5) HG LEU 34 + HA GLN 55 OK 11 85 - 13 - 760/3.6=4, 4694/5.7=2...(4) HB3 LYS 26 - HA GLN 55 poor 9 78 - 11 - 4.3/4556=2, ~5169=2, ~5170=1 HB2 LEU 85 - HA GLN 55 lone 6 89 - 7 - 760/3.6=1, ~5150=1 HG2 GLU 37 - HA GLN 55 lone 5 99 - 5 - HD3 LYS 64 - HA GLN 55 lone 3 63 - 4 - HB2 ARG 45 - HA GLN 55 lone 2 95 - 3 - Peak 5174 from cnoeabs.peaks (1.38, 4.42, 54.02 ppm; 5.05 A): 4 out of 10 assignments used, quality = 0.89: HB3 LYS 56 + HA GLN 55 OK 64 99 - 65 - 4.0/240=31, 5224=25...(7) HD3 LYS 56 + HA GLN 55 OK 52 98 - 53 - 5.8/240=20, 3.4/5224=16...(8) HG2 LYS 68 + HA GLN 55 OK 19 90 - 21 - 4049/5.7=6, 5525/5.7=6...(4) QB ALA 69 + HA GLN 55 OK 18 100 - 18 - ~757=3, ~2584=3...(6) HG2 LYS 44 - HA GLN 55 lone 9 93 - 9 - 761/3.6=5, 2622/5223=1 HB3 LEU 12 - HA GLN 55 lone 8 99 - 8 - ~5169=1, 761/3.6=1 QB ALA 67 - HA GLN 55 lone 7 95 - 7 - 5506/3.0=1, 761/3.6=1 HB2 LYS 64 - HA GLN 55 lone 4 78 - 5 - 761/3.6=1 HG2 LYS 31 - HA GLN 55 lone 4 73 - 5 - 765/3.6=1 QB ALA 89 - HA GLN 55 lone 2 63 - 3 - Peak 5180 from cnoeabs.peaks (0.75, 1.75, 31.63 ppm; 4.67 A): 5 out of 14 assignments used, quality = 0.94: QD1 LEU 79 + HB3 GLN 55 OK 54 96 - 57 - 5847/2.9=14, 5170/1.8=8...(16) QD1 LEU 12 + HB3 LYS 65 OK 52 91 - 57 - 1187/3.8=6, 5456/3.0=5...(29) QG1 VAL 20 + HB3 GLN 55 OK 41 100 - 41 - 5182/2.9=6, 5170/1.8=6...(11) QG2 VAL 20 + HB3 GLN 55 OK 34 85 - 41 - 4.3/5190=5, 5170/1.8=5...(11) QD1 LEU 79 + HB3 LYS 65 OK 32 84 - 38 - ~5456=5, 4100/3.8=4...(14) QD1 LEU 73 - HB3 GLN 55 OK 29 65 - 45 - 5182/2.9=4, 5709/4.5=4...(21) QD1 LEU 30 - HB3 GLN 55 OK 23 81 - 29 - ~4587=5, 5182/2.9=4...(10) HG2 LYS 26 - HB3 GLN 55 OK 20 100 - 20 - 5182/2.9=3, 5170/1.8=3...(4) QG1 VAL 20 - HB3 LYS 65 OK 16 91 - 18 - ~5455=3, 5456/3.0=2...(5) QD1 LEU 12 - HB3 GLN 55 OK 14 100 - 14 - 5169/3.9=2, 5170/1.8=2...(4) QG2 VAL 20 - HB3 LYS 65 OK 13 72 - 19 - 5455/3.0=3, ~5456=2...(6) QD1 LEU 73 - HB3 LYS 65 poor 9 54 - 17 - 5705/4.4=3, 5456/3.0=2 HG2 LYS 26 - HB3 LYS 65 lone 7 91 - 8 - QD1 LEU 30 - HB3 LYS 65 lone 6 68 - 8 - 6078/3.0=1, 5456/3.0=1 Peak 5181 from cnoeabs.peaks (0.93, 1.75, 31.63 ppm; 5.74 A): 2 out of 10 assignments used, quality = 0.95: QG2 VAL 52 + HB3 GLN 55 OK 80 95 - 84 - 5168/3.9=18, 5171/1.8=12...(24) QG1 VAL 52 + HB3 GLN 55 OK 73 87 - 84 - 5168/3.9=18, 2.1/2589=12...(24) QD2 LEU 23 - HB3 LYS 65 OK 34 82 - 41 - ~5456=5, ~4477=4...(17) QD2 LEU 23 - HB3 GLN 55 OK 27 95 - 28 - 5171/1.8=5, 5168/3.9=2...(8) HB3 LEU 30 - HB3 GLN 55 OK 18 63 - 29 - ~4587=6, ~5182=4...(9) HD3 LYS 26 - HB3 GLN 55 OK 11 63 - 18 - 3.0/5180=3, ~5182=2...(7) QG2 VAL 52 - HB3 LYS 65 OK 10 82 - 13 - 5168/2585=2, 2.1/2589=1 QG1 VAL 52 - HB3 LYS 65 poor 9 74 - 12 - 5168/2585=2, 2.1/2589=1 HD3 LYS 26 - HB3 LYS 65 lone 4 52 - 9 - ~5456=1 HB3 LEU 30 - HB3 LYS 65 lone 4 52 - 9 - ~5456=1, ~6078=1 Peak 5182 from cnoeabs.peaks (0.75, 2.04, 33.96 ppm; 4.86 A): 7 out of 7 assignments used, quality = 0.93: QD1 LEU 79 + HG3 GLN 55 OK 52 89 - 59 - 5847/1.8=15, ~5852=10...(16) QG1 VAL 20 + HG3 GLN 55 OK 39 99 - 40 - 4407/3.5=6, 5170/2.9=5...(12) QD1 LEU 73 + HG3 GLN 55 OK 30 78 - 38 - 5709/3.5=6, 5204/3.5=5...(13) QD1 LEU 30 + HG3 GLN 55 OK 29 90 - 32 - ~4587=7, 5169/4.9=4...(12) QG2 VAL 20 + HG3 GLN 55 OK 29 73 - 39 - 6203/3.5=5, 4409/3.5=5...(12) HG2 LYS 26 + HG3 GLN 55 OK 19 99 - 19 - 5169/4.9=2, 5170/2.9=2...(6) QD1 LEU 12 + HG3 GLN 55 OK 12 99 - 12 - 5169/4.9=2, 5170/2.9=2...(4) Peak 5185 from cnoeabs.peaks (6.92, 2.04, 31.63 ppm; 4.67 A): 2 out of 4 assignments used, quality = 0.91: HZ PHE 57 + HB2 GLN 55 OK 86 99 - 87 - 2.2/5186=22, 5192/2.9=20...(22) HZ PHE 80 + HB2 GLN 55 OK 38 100 - 38 - 5192/2.9=9, 5188/1.8=8...(9) HZ PHE 57 - HB2 MET 21 poor 8 40 - 19 - ~4658=4, ~5985=4...(6) HZ PHE 80 - HB2 MET 21 lone 3 41 - 7 - 4655/1.8=1 Peak 5186 from cnoeabs.peaks (7.21, 2.04, 31.63 ppm; 3.97 A): 3 out of 6 assignments used, quality = 0.94: QE PHE 57 + HB2 GLN 55 OK 86 100 - 86 - 2.2/5185=17, 4658/2.9=16...(26) H LYS 78 + HB2 GLN 55 OK 35 87 - 41 - 5184/3.9=6, 5193/2.9=6...(11) QD PHE 80 + HB2 GLN 55 OK 33 93 - 35 - 3.8/5185=6, 5189/1.8=5...(9) H LYS 78 - HB2 MET 21 poor 9 31 - 28 - 1100/3.0=9, 1099=4...(9) QE PHE 57 - HB2 MET 21 poor 7 41 - 17 - 4658/1.8=5, ~4667=2...(5) QD PHE 80 - HB2 MET 21 lone 2 35 - 7 - ~4157=1 Peak 5187 from cnoeabs.peaks (7.14, 2.04, 31.63 ppm; 4.40 A): 5 out of 8 assignments used, quality = 0.93: QD PHE 57 + HB2 GLN 55 OK 82 97 - 84 - 2.2/5186=20, 3.8/5185=16...(20) H MET 21 + HB2 GLN 55 OK 30 71 - 43 - 574/2.9=7, 5190/1.8=7...(16) H MET 21 + HB2 MET 21 OK 24 24 - 100 - 4.0=100 HD22 ASN 18 + HB2 MET 21 OK 18 25 - 72 - ~4332=12, 4330/2.9=11...(20) HD22 ASN 18 + HB2 GLN 55 OK 11 73 - 14 - 5190/1.8=2, 6089/2.9=2 QD PHE 57 - HB2 MET 21 poor 8 38 - 20 - 4667/1.8=4, ~4658=4...(6) HD2 HIS 15 - HB2 GLN 55 lone 3 85 - 4 - HD2 HIS 15 - HB2 MET 21 lone 0 30 - 1 - Peak 5188 from cnoeabs.peaks (6.91, 1.75, 31.63 ppm; 4.99 A): 4 out of 6 assignments used, quality = 0.90: HZ PHE 57 + HB3 GLN 55 OK 75 85 - 88 - 5185/1.8=26, 5192/2.9=19...(18) HZ PHE 80 + HB3 GLN 55 OK 38 92 - 41 - 5185/1.8=11, 5192/2.9=8...(9) HZ PHE 80 + HB3 LYS 65 OK 21 79 - 26 - 3.8/5189=5, 4733=3...(8) HZ PHE 57 + HB3 LYS 65 OK 17 72 - 24 - 2.2/5189=4, 3.8/5190=3...(11) HD22 ASN 90 - HB3 GLN 55 lone 1 73 - 2 - HD22 ASN 90 - HB3 LYS 65 lone 1 61 - 2 - Peak 5189 from cnoeabs.peaks (7.21, 1.75, 31.63 ppm; 4.16 A): 3 out of 6 assignments used, quality = 0.96: QE PHE 57 + HB3 GLN 55 OK 88 100 - 88 - 5186/1.8=19, 4658/2.9=17...(21) QD PHE 80 + HB3 GLN 55 OK 41 100 - 41 - 5186/1.8=7, 5193/2.9=7...(9) H LYS 78 + HB3 GLN 55 OK 41 99 - 41 - 5186/1.8=8, 5193/2.9=8...(8) QD PHE 80 - HB3 LYS 65 OK 34 90 - 37 - 4713/3.8=5, 4706/3.0=5...(11) H LYS 78 - HB3 LYS 65 OK 28 88 - 32 - 887/1.8=4, 363/4.4=4...(11) QE PHE 57 - HB3 LYS 65 OK 20 90 - 22 - 2.2/5188=3, 2.2/5190=2...(7) Peak 5190 from cnoeabs.peaks (7.14, 1.75, 31.63 ppm; 5.31 A): 4 out of 8 assignments used, quality = 0.93: QD PHE 57 + HB3 GLN 55 OK 82 92 - 89 - 5187/1.8=22, ~5186=19...(19) H MET 21 + HB3 GLN 55 OK 42 83 - 51 - 574/2.9=10, 4.0/2589=8...(14) QD PHE 57 + HB3 LYS 65 OK 18 79 - 23 - 2.2/5189=4, 3.8/5188=4...(9) HD22 ASN 18 + HB3 GLN 55 OK 15 85 - 18 - 5187/1.8=3, 6089/2.9=2...(7) HD22 ASN 18 - HB3 LYS 65 lone 7 72 - 10 - H MET 21 - HB3 LYS 65 lone 7 70 - 10 - 4.3/5180=1, 4.3/5180=1 HD2 HIS 15 - HB3 GLN 55 lone 4 73 - 5 - HD2 HIS 15 - HB3 LYS 65 lone 1 61 - 2 - Peak 5191 from cnoeabs.peaks (6.92, 2.17, 33.96 ppm; 4.40 A): 3 out of 6 assignments used, quality = 0.96: HZ PHE 57 + HG2 GLN 55 OK 77 93 - 83 - 2.2/4658=21, 5192/1.8=20...(18) HZ PHE 57 + HB VAL 52 OK 63 89 - 71 - 2.2/4658=18, 4655=13...(16) HZ PHE 80 + HB VAL 52 OK 52 93 - 56 - ~5105=13, 5106/2.1=10...(12) HZ PHE 80 - HG2 GLN 55 OK 38 97 - 39 - 5192/1.8=9, 5185/2.9=8...(9) HD22 ASN 90 - HG2 GLN 55 lone 1 60 - 1 - HD22 ASN 90 - HB VAL 52 lone 1 56 - 1 - Peak 5192 from cnoeabs.peaks (6.93, 2.04, 33.96 ppm; 5.00 A): 2 out of 2 assignments used, quality = 0.93: HZ PHE 57 + HG3 GLN 55 OK 88 100 - 88 - 5185/2.9=23, 2.2/5193=21...(22) HZ PHE 80 + HG3 GLN 55 OK 40 100 - 40 - 5185/2.9=10, 3.8/5193=8...(10) Peak 5193 from cnoeabs.peaks (7.20, 2.04, 33.96 ppm; 4.40 A): 3 out of 3 assignments used, quality = 0.97: QE PHE 57 + HG3 GLN 55 OK 89 97 - 92 - 4658/1.8=22, 2.2/5192=20...(29) H LYS 78 + HG3 GLN 55 OK 49 100 - 50 - 5199/3.8=6, 5184/4.9=6...(12) QD PHE 80 + HG3 GLN 55 OK 42 100 - 42 - 3.8/5192=7, 5184/4.9=6...(10) Peak 5194 from cnoeabs.peaks (8.80, 2.04, 33.96 ppm; 6.20 A): 4 out of 4 assignments used, quality = 0.91: H PHE 57 + HG3 GLN 55 OK 62 100 - 62 - 988/4.7=15, 6.4/5193=14...(9) H GLY 54 + HG3 GLN 55 OK 57 87 - 65 - 4.5/2601=43, 5159/1.8=17...(6) H ASN 18 + HG3 GLN 55 OK 27 90 - 29 - 4320/1.8=7, 988/4.7=6...(7) H LEU 34 + HG3 GLN 55 OK 24 99 - 24 - 988/4.7=8, 236/4.9=3...(6) Peak 5196 from cnoeabs.peaks (8.79, 2.17, 33.96 ppm; 5.88 A): 4 out of 8 assignments used, quality = 1.00: H GLY 54 + HB VAL 52 OK 81 96 - 84 - 232/4.4=32, 5159=25...(10) H PHE 57 + HB VAL 52 OK 78 94 - 82 - 5238/4.0=33, 4.4/4667=16...(17) H GLY 54 + HG2 GLN 55 OK 72 99 - 73 - 986/4.9=42, 5159=19...(12) H PHE 57 + HG2 GLN 55 OK 71 98 - 72 - 4.6/243=16, 4.4/4667=15...(16) H ASN 18 - HG2 GLN 55 OK 38 100 - 38 - 4320=8, 988/4.7=6...(13) H ASN 18 - HB VAL 52 OK 34 97 - 35 - 4320=7, 5238/4.0=6...(8) H LEU 34 - HG2 GLN 55 OK 26 100 - 26 - 988/4.7=7, 5194/1.8=5...(7) H LEU 34 - HB VAL 52 OK 25 97 - 26 - 5092/4.0=6, 5095/3.0=4...(7) Peak 5199 from cnoeabs.peaks (7.20, 4.42, 54.02 ppm; 5.18 A): 3 out of 3 assignments used, quality = 0.97: QE PHE 57 + HA GLN 55 OK 85 97 - 88 - 4658/3.8=19, 5184/2.9=19...(19) H LYS 78 + HA GLN 55 OK 55 100 - 55 - 5184/2.9=12, 1010/3.6=10...(9) QD PHE 80 + HA GLN 55 OK 47 100 - 47 - 5184/2.9=11, 4715/3.6=9...(8) Peak 5211 from cnoeabs.peaks (1.92, 1.50, 34.15 ppm; 5.41 A): 4 out of 11 assignments used, quality = 0.96: HG3 GLU 49 + HB2 LYS 56 OK 75 100 - 76 - 4940/4.6=12, ~4948=11...(23) QE MET 48 + HB2 LYS 56 OK 54 98 - 55 - 4867/2.9=11, 4920/4.6=8...(20) HB2 GLU 33 + HB2 LYS 56 OK 41 81 - 52 - 4.2/3992=9, 3912/4.6=7...(22) HB3 GLU 22 + HB2 LYS 56 OK 35 81 - 43 - 4453/2.9=6, 1.8/6121=5...(16) HB VAL 20 - HB2 LYS 56 OK 30 90 - 33 - 4.0/4384=5, 3.0/4389=4...(9) HD2 LYS 78 - HB2 LYS 56 OK 25 100 - 25 - 4092/4.0=5, 5213/1.8=3...(5) HB2 LEU 76 - HB2 LYS 56 OK 21 73 - 28 - ~6206=5, ~6207=4...(8) HG3 PRO 81 - HB2 LYS 56 OK 18 100 - 18 - 3.8/5223=3, 5213/1.8=2 HB VAL 47 - HB2 LYS 56 OK 16 98 - 16 - 4.4/4843=2, 5213/1.8=2...(5) HG3 PRO 84 - HB2 LYS 56 poor 8 65 - 12 - 1.8/5212=1 HB2 MET 11 - HB2 LYS 56 lone 3 63 - 5 - Peak 5212 from cnoeabs.peaks (2.00, 1.50, 34.15 ppm; 4.78 A): 5 out of 10 assignments used, quality = 1.00: HB2 LEU 34 + HB2 LYS 56 OK 91 99 - 92 - 3.1/2623=15, 2080/2.9=15...(53) HG2 GLU 49 + HB2 LYS 56 OK 70 95 - 74 - 4974/1.8=11, 4948/3.0=11...(25) HB3 GLU 49 + HB2 LYS 56 OK 62 92 - 67 - 4965=8, 4937/4.6=8...(24) HB3 PRO 19 + HB2 LYS 56 OK 56 85 - 66 - 2.3/4380=7, 2.3/4378=7...(23) HB2 PRO 19 + HB2 LYS 56 OK 50 76 - 66 - 2.3/4380=7, 2.3/4378=7...(23) HE3 LYS 68 - HB2 LYS 56 OK 32 90 - 36 - 3107/1.8=4, 3106/2.9=4...(14) HB2 LEU 23 - HB2 LYS 56 OK 28 95 - 30 - 4472=3, 5214/1.8=2...(11) HB2 LYS 78 - HB2 LYS 56 OK 24 98 - 25 - 4088/4.0=6, 4.4/2619=5...(6) HG2 PRO 84 - HB2 LYS 56 lone 10 99 - 10 - HB2 GLU 25 - HB2 LYS 56 lone 7 97 - 7 - Peak 5213 from cnoeabs.peaks (1.92, 1.38, 34.15 ppm; 5.10 A): 4 out of 11 assignments used, quality = 0.93: HG3 GLU 49 + HB3 LYS 56 OK 69 97 - 72 - 1.8/4974=12, 4940/4.6=10...(20) QE MET 48 + HB3 LYS 56 OK 46 92 - 51 - 4867/2.9=10, 4920/4.6=7...(18) HB3 GLN 58 + HB3 LYS 56 OK 38 71 - 53 - ~5286=9, 4.6/2629=9...(16) HB2 GLU 33 + HB3 LYS 56 OK 30 65 - 46 - 4.2/3993=8, 3912/4.6=5...(20) HB VAL 20 - HB3 LYS 56 OK 24 78 - 31 - 2.1/4401=4, 4.0/4383=4...(10) HD2 LYS 78 - HB3 LYS 56 OK 21 100 - 21 - 4092/4.0=5, 5211/1.8=3...(5) HB3 GLU 22 - HB3 LYS 56 OK 21 65 - 31 - ~4450=5, 4453/2.9=5...(10) HG3 PRO 81 - HB3 LYS 56 OK 16 100 - 16 - 3.8/5224=4, 5211/1.8=2 HB VAL 47 - HB3 LYS 56 OK 12 92 - 13 - 4.4/4844=3, 5211/1.8=2...(4) HB2 MET 11 - HB3 LYS 56 lone 5 78 - 6 - 4.2/524=2 HB3 MET 11 - HB3 LYS 56 lone 4 73 - 6 - 4.2/524=2 Peak 5214 from cnoeabs.peaks (2.00, 1.38, 34.15 ppm; 4.53 A): 5 out of 10 assignments used, quality = 1.00: HB2 LEU 34 + HB3 LYS 56 OK 87 99 - 89 - 2080/2.9=14, 3.1/2633=14...(48) HG2 GLU 49 + HB3 LYS 56 OK 64 95 - 68 - 4974=12, 4948/3.0=10...(22) HB3 GLU 49 + HB3 LYS 56 OK 55 92 - 60 - 3.0/4974=9, 4966=7...(20) HB3 PRO 19 + HB3 LYS 56 OK 54 85 - 63 - 2.3/4379=7, 2.3/4377=7...(25) HB2 PRO 19 + HB3 LYS 56 OK 48 76 - 63 - 2.3/4379=7, 2.3/4377=7...(25) HE3 LYS 68 - HB3 LYS 56 OK 35 90 - 39 - 1.8/3097=4, 3107=4...(16) HB2 LEU 23 - HB3 LYS 56 OK 23 95 - 24 - 5212/1.8=2, 1588/2.9=2...(8) HB2 LYS 78 - HB3 LYS 56 OK 20 98 - 21 - 4088/4.0=6, 4.4/2629=4...(5) HG2 PRO 84 - HB3 LYS 56 lone 9 99 - 9 - HB2 GLU 25 - HB3 LYS 56 lone 3 97 - 4 - Peak 5215 from cnoeabs.peaks (1.69, 1.07, 25.28 ppm; 4.26 A): 2 out of 11 assignments used, quality = 0.95: HB3 GLU 51 + HG2 LYS 56 OK 92 100 - 92 - 3.0/5229=29, 5067=24...(30) HB3 ARG 27 + HG2 LYS 56 OK 35 95 - 37 - 1778/3.0=3, 1779/3.0=3...(18) HB3 LYS 31 - HG2 LYS 56 OK 31 92 - 34 - ~1933=3, 3.0/2644=3...(19) HD3 LYS 31 - HG2 LYS 56 OK 27 96 - 29 - 3.0/2644=3, 3.0/2646=3...(15) HD2 LYS 31 - HG2 LYS 56 OK 27 93 - 28 - 3.0/2644=3, 3.0/2646=3...(15) HG2 LYS 78 - HG2 LYS 56 OK 16 90 - 18 - 4090/4.7=3, 2.8/5217=1...(4) HB2 LEU 30 - HG2 LYS 56 OK 11 99 - 11 - 2504/5229=1, 1887/3.0=1 HB3 LYS 91 - HG2 LYS 56 lone 8 100 - 8 - HB3 LEU 73 - HG2 LYS 56 lone 5 93 - 6 - HG3 ARG 28 - HG2 LYS 56 lone 2 76 - 3 - HG2 ARG 28 - HG2 LYS 56 lone 2 71 - 3 - Peak 5216 from cnoeabs.peaks (1.81, 1.07, 25.28 ppm; 4.13 A): 3 out of 13 assignments used, quality = 0.99: HG3 GLU 51 + HG2 LYS 56 OK 81 100 - 81 - 3.9/5229=23, 3.0/5067=16...(26) HG2 GLU 51 + HG2 LYS 56 OK 81 100 - 81 - 3.9/5229=23, 3.0/5067=16...(26) HB2 LYS 44 + HG2 LYS 56 OK 70 100 - 71 - 2.9/2642=6, 2259/3.0=6...(36) HB3 GLU 33 - HG2 LYS 56 OK 34 100 - 35 - 4.2/666=8, 3.0/2640=2...(14) HB2 LYS 65 - HG2 LYS 56 OK 30 78 - 38 - 3.8/5453=6, ~2948=3...(13) HB2 LYS 31 - HG2 LYS 56 OK 30 76 - 39 - 1.8/5215=4, 1933/1.8=3...(14) HB2 MET 48 - HG2 LYS 56 OK 25 90 - 28 - 4.0/4867=6, 4777=2...(10) HG LEU 76 - HG2 LYS 56 OK 22 100 - 22 - 2.1/6206=7, 2.1/6207=3...(5) HB2 GLU 37 - HG2 LYS 56 OK 21 99 - 21 - 3.0/4776=3, 4.1/4780=2...(5) HG3 GLU 37 - HG2 LYS 56 OK 15 78 - 18 - 1.8/4776=3, 4.9/4780=2...(4) HD3 LYS 78 - HG2 LYS 56 poor 10 68 - 14 - 4093/4.7=2, 2.9/5215=2...(5) HB2 LYS 91 - HG2 LYS 56 lone 7 89 - 8 - 1.8/5215=1 HB2 ARG 28 - HG2 LYS 56 lone 5 76 - 7 - ~5224=1 Peak 5217 from cnoeabs.peaks (1.98, 1.07, 25.28 ppm; 4.42 A): 5 out of 13 assignments used, quality = 1.00: HB2 GLU 51 + HG2 LYS 56 OK 92 99 - 93 - 3.0/5229=31, 5064=23...(28) HB2 LEU 34 + HG2 LYS 56 OK 74 85 - 88 - 1.8/2087=16, 2080=14...(48) HB2 PRO 19 + HG2 LYS 56 OK 59 100 - 59 - 2.3/4373=9, 4370=7...(22) HB3 PRO 19 + HG2 LYS 56 OK 58 99 - 59 - 2.3/4373=9, 4370=7...(22) HG2 PRO 19 + HG2 LYS 56 OK 51 90 - 57 - 4373=11, 1.8/4374=6...(20) HE3 LYS 68 - HG2 LYS 56 OK 31 97 - 32 - 3106/1.8=5, ~3096=4...(11) HB2 GLN 58 - HG2 LYS 56 OK 27 92 - 29 - 4.6/2639=6, ~5277=3...(11) HB2 LYS 78 - HG2 LYS 56 OK 18 87 - 21 - 4.4/2639=4, 4088/4.7=4...(4) HB3 PRO 81 - HG2 LYS 56 OK 13 99 - 13 - ~5224=2, ~5223=2, ~5226=1 HG2 PRO 84 - HG2 LYS 56 lone 6 83 - 7 - HB2 GLU 77 - HG2 LYS 56 lone 4 89 - 5 - HG3 PRO 84 - HG2 LYS 56 lone 4 65 - 5 - HB2 GLU 25 - HG2 LYS 56 lone 3 89 - 3 - Peak 5218 from cnoeabs.peaks (1.97, 1.28, 25.28 ppm; 4.67 A): 4 out of 45 assignments used, quality = 0.99: HB2 GLU 51 + HG3 LYS 56 OK 94 100 - 94 - ~5229=24, 3.0/6053=23...(26) HG2 PRO 19 + HG3 LYS 56 OK 56 100 - 56 - 4373/1.8=12, ~4374=7...(18) HB2 PRO 19 + HG3 LYS 56 OK 54 92 - 59 - ~4373=8, ~4374=6...(21) HB3 PRO 19 + HG3 LYS 56 OK 50 85 - 59 - ~4373=8, ~4374=6...(21) HB2 LEU 76 - HG3 LYS 65 OK 33 71 - 47 - 5457/3.7=6, 3.0/6171=5...(21) HE3 LYS 68 - HG3 LYS 56 OK 31 78 - 39 - 1.8/3096=5, 3.7/3056=4...(16) HB2 GLN 58 - HG3 LYS 56 OK 29 100 - 29 - 4.6/2649=4, ~5277=4...(11) HB2 GLU 33 - HG3 LYS 56 OK 26 78 - 33 - 4.2/3995=4, 3.0/4664=4...(15) HB3 GLU 22 - HG3 LYS 56 OK 21 78 - 27 - 4453/1.8=6, ~4450=5...(9) HE3 LYS 68 - HG3 LYS 65 OK 19 64 - 30 - 5560/3.7=8, 1.8/3096=3...(13) HB2 LEU 76 - HG3 LYS 56 OK 19 85 - 23 - ~6206=5, ~6207=4...(6) HB2 LYS 78 - HG3 LYS 65 OK 18 48 - 37 - ~5813=4, ~3312=4...(17) HB3 PRO 81 - HG3 LYS 56 OK 15 100 - 15 - ~5224=3, ~5223=2...(5) HB2 GLU 51 - HG3 LYS 65 OK 15 89 - 16 - 3.0/6053=4, 1.8/5066=2...(5) HB VAL 20 - HG3 LYS 56 OK 13 65 - 20 - 2.1/4402=4, 3.0/4152=3...(7) HE3 LYS 68 - HG3 LYS 17 OK 13 39 - 32 - 1.8/3096=4, 5561/3.9=3...(13) HG2 PRO 19 - HG3 LYS 17 OK 11 58 - 20 - 3835/4.8=5, 4380/3.0=2...(5) HB2 GLU 33 - HG3 LYS 65 OK 11 64 - 17 - 3.0/4659=2, 3.0/4664=2...(7) HB2 LYS 78 - HG3 LYS 56 OK 11 60 - 18 - 4.4/2649=3, 4088/4.7=3...(5) HB2 GLU 77 - HG3 LYS 65 OK 10 88 - 12 - 4.1/5809=3, 4.0/4035=3...(4) HB3 GLU 22 - HG3 LYS 17 OK 10 39 - 26 - ~6202=4, 4.6/587=2...(12) HB2 GLU 51 - HG3 LYS 17 poor 9 59 - 16 - 3.0/6053=4, 1.8/5066=3...(5) HB VAL 20 - HG3 LYS 17 poor 9 32 - 30 - 2.1/4402=5, 3.0/4152=5...(10) HB2 PRO 19 - HG3 LYS 17 poor 9 49 - 19 - 4.9/4152=3, 3833/4.8=2...(6) HB3 PRO 19 - HG3 LYS 17 poor 8 44 - 19 - 4.9/4152=3, 3833/4.8=2...(8) HB2 GLU 33 - HG3 LYS 17 poor 8 39 - 20 - 3.0/4664=3, 3912/4.9=3...(6) HB2 GLU 77 - HG3 LYS 56 lone 8 99 - 8 - 4.1/5809=1 HB2 LEU 76 - HG3 LYS 17 poor 8 44 - 17 - ~4676=2, 3.0/6171=2...(7) HG2 PRO 19 - HG3 LYS 65 lone 5 88 - 6 - HG3 PRO 84 - HG3 LYS 56 lone 5 90 - 6 - HB3 GLU 22 - HG3 LYS 65 lone 5 64 - 8 - 4.6/587=2 HB2 GLN 58 - HG3 LYS 17 lone 5 58 - 8 - ~5269=1, ~5276=1, ~5281=1 HB VAL 20 - HG3 LYS 65 lone 4 53 - 8 - 2.1/4402=2, 5457/3.7=1 HB2 PRO 19 - HG3 LYS 65 lone 4 78 - 5 - HB3 PRO 81 - HG3 LYS 65 lone 4 88 - 5 - 5457/3.7=1 HB3 PRO 19 - HG3 LYS 65 lone 4 71 - 5 - HB2 LYS 78 - HG3 LYS 17 poor 4 29 - 12 - ~3311=1, 3301/2.9=1, 3301/2.9=1 HB2 GLU 77 - HG3 LYS 17 lone 3 57 - 6 - HB2 GLN 58 - HG3 LYS 65 lone 3 89 - 3 - HB2 GLU 25 - HG3 LYS 56 lone 2 63 - 4 - HB3 PRO 81 - HG3 LYS 17 lone 2 58 - 4 - HG3 PRO 84 - HG3 LYS 65 lone 2 76 - 3 - HG3 PRO 84 - HG3 LYS 17 lone 2 48 - 4 - HB2 GLU 25 - HG3 LYS 65 lone 1 50 - 2 - HB2 GLU 25 - HG3 LYS 17 lone 1 30 - 3 - Peak 5219 from cnoeabs.peaks (1.79, 1.28, 25.28 ppm; 3.67 A): 4 out of 51 assignments used, quality = 0.99: HB2 LYS 65 + HG3 LYS 65 OK 88 88 - 100 - 3.0=100 HG2 GLU 51 + HG3 LYS 56 OK 64 93 - 69 - 3.9/6053=12, ~5067=8...(26) HG3 GLU 51 + HG3 LYS 56 OK 63 92 - 69 - 3.9/6053=12, ~5067=8...(26) HB2 LYS 44 + HG3 LYS 56 OK 50 81 - 62 - 1.8/2273=7, 2.9/2283=6...(34) HB2 LYS 65 - HG3 LYS 17 OK 31 57 - 55 - 2922=7, 2920/2.9=5...(23) HB2 MET 48 - HG3 LYS 65 OK 31 90 - 35 - 2939/1.8=4, 2419/3.0=4...(17) HB2 LYS 31 - HG3 LYS 56 OK 30 99 - 30 - 1933=3, 1932/3.0=3...(10) HB2 LYS 65 - HG3 LYS 56 OK 29 99 - 29 - 2922=3, 3.0/2948=3...(10) HG LEU 76 - HG3 LYS 65 OK 26 79 - 33 - 2939/1.8=3, 6171=3...(16) HB2 ARG 27 - HG3 LYS 56 OK 25 87 - 29 - ~5215=3, 1770/3.0=2...(9) HD3 LYS 78 - HG3 LYS 65 OK 21 84 - 25 - 2939/1.8=4, ~3342=2...(9) QB ALA 74 - HG3 LYS 56 OK 20 87 - 23 - 5728/4.0=5, 5720/3.6=4...(8) HB3 GLU 33 - HG3 LYS 56 OK 20 81 - 24 - 3.0/4664=2, 4.2/3995=2...(9) HB2 MET 48 - HG3 LYS 56 OK 19 100 - 19 - 4777/1.8=2, 4851/2.9=2...(7) HG LEU 76 - HG3 LYS 56 OK 17 93 - 18 - ~6206=4, ~6207=3, 6171=2...(5) HG3 GLU 37 - HG3 LYS 56 OK 14 99 - 14 - ~4776=2, 4777/1.8=2...(4) HB2 LYS 44 - HG3 LYS 65 OK 14 66 - 21 - 2939/1.8=2, 1.8/2273=1...(7) HB2 MET 48 - HG3 LYS 17 OK 13 59 - 23 - ~4692=3, ~4673=3...(7) HD3 LYS 78 - HG3 LYS 56 OK 11 97 - 11 - 4093/4.7=2 HB2 GLU 37 - HG3 LYS 56 OK 10 78 - 13 - ~4776=2, 5216/1.8=1, ~4777=1 HG2 GLU 51 - HG3 LYS 65 OK 10 79 - 12 - 3.9/6053=2, 3.0/5066=1...(4) HG3 GLU 51 - HG3 LYS 65 poor 10 78 - 12 - 3.9/6053=2, 3.0/5066=1...(4) HG3 GLU 37 - HG3 LYS 65 poor 9 88 - 10 - 2939/1.8=1, 2419/3.0=1 QE MET 11 - HG3 LYS 56 poor 9 71 - 12 - 4244/1.8=6, 4245=5 HB2 ARG 27 - HG3 LYS 65 poor 9 72 - 12 - 2939/1.8=2 HB2 LYS 31 - HG3 LYS 17 poor 8 57 - 13 - 1933=1 HB3 GLU 33 - HG3 LYS 65 poor 7 66 - 11 - HB2 ARG 27 - HG3 LYS 17 poor 7 45 - 15 - 1771/3.0=1, 1771/3.0=1 HG LEU 76 - HG3 LYS 17 poor 7 50 - 14 - ~4676=2, 6171=1, ~6115=1...(7) HB2 GLU 37 - HG3 LYS 65 poor 7 64 - 11 - 2918/3.7=1 QB ALA 74 - HG3 LYS 65 lone 6 72 - 8 - HB2 LYS 91 - HG3 LYS 56 lone 5 100 - 5 - HB3 GLU 33 - HG3 LYS 17 poor 5 41 - 13 - 3.0/4664=2, 3.0/4659=2...(4) HB2 ARG 28 - HG3 LYS 56 lone 5 99 - 5 - ~5224=1 HD3 LYS 78 - HG3 LYS 17 lone 5 55 - 9 - 3351/2.9=1, 3351/2.9=1 QE MET 11 - HG3 LYS 65 lone 5 58 - 9 - 4245=3 HG2 GLU 51 - HG3 LYS 17 lone 5 50 - 9 - 3.9/6053=2, 3.0/5066=1 HG3 GLU 51 - HG3 LYS 17 lone 5 49 - 9 - 3.9/6053=2, 3.0/5066=1 HB2 ARG 28 - HG3 LYS 65 lone 4 87 - 4 - HB2 LYS 31 - HG3 LYS 65 lone 4 87 - 4 - HB2 LYS 91 - HG3 LYS 65 lone 4 90 - 4 - HG3 GLU 37 - HG3 LYS 17 lone 4 57 - 6 - HB2 GLU 37 - HG3 LYS 17 lone 3 39 - 8 - ~6196=2 HB3 ARG 28 - HG3 LYS 56 lone 3 65 - 5 - ~5224=1 HB2 LYS 44 - HG3 LYS 17 lone 3 41 - 7 - QB ALA 74 - HG3 LYS 17 lone 3 45 - 6 - HB3 ARG 28 - HG3 LYS 65 lone 2 53 - 4 - QE MET 11 - HG3 LYS 17 lone 1 35 - 4 - 4245=1 HB2 ARG 28 - HG3 LYS 17 lone 1 57 - 1 - HB2 LYS 91 - HG3 LYS 17 lone 1 59 - 1 - HB3 ARG 28 - HG3 LYS 17 lone 0 32 - 1 - Peak 5220 from cnoeabs.peaks (1.94, 1.53, 28.78 ppm; 3.80 A): 6 out of 45 assignments used, quality = 0.91: HB2 GLU 51 + HD2 LYS 56 OK 57 71 - 81 - ~5234=12, ~5229=11...(36) HG2 PRO 19 + HD2 LYS 56 OK 33 89 - 38 - 4373/3.0=6, 4379/3.4=4...(17) HG3 GLU 49 + HD2 LYS 56 OK 32 90 - 36 - ~4974=5, 4980/3.4=4...(16) QE MET 48 + HD2 LYS 56 OK 26 96 - 27 - 4867/3.0=7, 4865/1.8=3...(7) HB2 GLU 33 + HD2 LYS 56 OK 24 100 - 24 - 4.2/665=2, 1.8/2259=2...(8) HB2 GLN 58 + HD2 LYS 56 OK 21 87 - 25 - 2.9/5269=3, 4.6/2659=2...(13) HB3 GLU 22 - HD2 LYS 56 OK 18 100 - 18 - 4453/3.0=4, ~4450=2...(5) QE MET 48 - HD3 LYS 17 OK 17 68 - 25 - 4866/3.0=2, 4884/3.0=2...(9) QE MET 48 - HD2 LYS 17 OK 17 68 - 25 - 4866/3.0=2, 4884/3.0=2...(9) HB2 LEU 76 - HD2 LYS 56 OK 15 100 - 15 - ~6206=2, ~6207=2, 3.1/6185=2 HB3 GLU 22 - HD2 LYS 17 OK 15 76 - 19 - 6120/1.8=2, 3.0/6119=2...(10) HB3 GLU 22 - HD3 LYS 17 OK 15 76 - 19 - 6120/1.8=2, 3.0/6119=2...(10) HB VAL 20 - HD3 LYS 17 OK 14 75 - 19 - 1491/6.1=2, ~4402=2...(9) HB VAL 20 - HD2 LYS 17 OK 14 75 - 19 - 1491/6.1=2, ~4402=2...(9) HB VAL 20 - HD2 LYS 56 OK 12 100 - 12 - ~4401=2, ~4402=1...(4) HG3 GLU 49 - HD3 LYS 17 OK 12 63 - 20 - ~4971=1, 3.0/4988=1...(9) HG3 GLU 49 - HD2 LYS 17 OK 12 63 - 20 - ~4971=1, 3.0/4988=1...(9) HB2 GLU 33 - HD3 LYS 17 poor 9 76 - 12 - 4.2/665=2, 6124/3.7=1...(6) HB2 GLU 33 - HD2 LYS 17 poor 9 76 - 12 - 4.2/665=2, 6124/3.7=1...(6) HG2 PRO 19 - HD3 LYS 17 poor 9 61 - 14 - 3835/6.1=2, 4380/1.8=2...(4) HG2 PRO 19 - HD2 LYS 17 poor 9 61 - 14 - 3835/6.1=2, 4380/1.8=2...(4) HB2 LEU 76 - HD2 LYS 17 lone 7 75 - 10 - HB2 LEU 76 - HD3 LYS 17 lone 7 75 - 10 - HB2 GLN 58 - HD3 LYS 17 poor 7 59 - 12 - 4.3/5315=2, 2.9/5269=2, ~5269=1 HB2 GLN 58 - HD2 LYS 17 poor 7 59 - 12 - 4.3/5315=2, 2.9/5269=2, ~5269=1 HD2 LYS 78 - HD2 LYS 56 lone 6 78 - 8 - 4092/5.8=1 HB VAL 47 - HD2 LYS 56 lone 6 96 - 6 - HB3 PRO 81 - HD2 LYS 56 lone 5 65 - 8 - ~5224=1, ~5223=1 HB VAL 47 - HD2 LYS 17 lone 4 68 - 6 - 4.4/4843=1, 4839/3.0=1 HB VAL 47 - HD3 LYS 17 lone 4 68 - 6 - 4.4/4843=1, 4839/3.0=1 HG3 PRO 84 - HD2 LYS 56 lone 4 99 - 4 - HB2 GLU 51 - HD2 LYS 17 lone 4 46 - 8 - ~6053=1, ~5066=1 HB2 GLU 51 - HD3 LYS 17 lone 4 46 - 8 - ~6053=1, ~5066=1 HG3 PRO 81 - HD2 LYS 56 lone 3 76 - 4 - HD2 LYS 78 - HD3 LYS 17 lone 3 52 - 6 - 6124/3.7=1, 6124/3.7=1 HD2 LYS 78 - HD2 LYS 17 lone 3 52 - 6 - 6124/3.7=1, 6124/3.7=1 HB2 GLU 77 - HD2 LYS 56 lone 3 90 - 3 - HG3 PRO 84 - HD2 LYS 17 lone 2 74 - 3 - HG3 PRO 84 - HD3 LYS 17 lone 2 74 - 3 - HB2 GLU 77 - HD2 LYS 17 lone 2 63 - 3 - HB2 GLU 77 - HD3 LYS 17 lone 2 63 - 3 - HG3 PRO 81 - HD2 LYS 17 lone 1 50 - 2 - HG3 PRO 81 - HD3 LYS 17 lone 1 50 - 2 - HB3 PRO 81 - HD2 LYS 17 lone 1 42 - 2 - HB3 PRO 81 - HD3 LYS 17 lone 1 42 - 2 - Peak 5223 from cnoeabs.peaks (4.43, 1.50, 34.15 ppm; 4.91 A): 5 out of 5 assignments used, quality = 0.87: HA GLN 55 + HB2 LYS 56 OK 59 93 - 64 - 240/4.0=28, 5224/1.8=16...(11) HA LYS 17 + HB2 LYS 56 OK 49 83 - 59 - 1334/2.9=7, 3.9/2624=7...(30) HA3 GLY 59 + HB2 LYS 56 OK 15 92 - 17 - 5328=2, 1.8/5322=2...(6) HA PRO 81 + HB2 LYS 56 OK 15 87 - 17 - 5224/1.8=4, 240/4.0=3...(4) HA ARG 28 + HB2 LYS 56 OK 11 71 - 15 - 5224/1.8=4, 240/4.0=3...(5) Peak 5224 from cnoeabs.peaks (4.42, 1.38, 34.15 ppm; 5.15 A): 4 out of 4 assignments used, quality = 0.81: HA GLN 55 + HB3 LYS 56 OK 64 100 - 64 - 240/4.0=32, 5174=17...(8) HA TYR 70 + HB3 LYS 56 OK 25 87 - 29 - 5606=4, 3.6/5642=3...(14) HA PRO 81 + HB3 LYS 56 OK 17 100 - 16 - 240/4.0=4, 5223/1.8=3...(4) HA ARG 28 + HB3 LYS 56 OK 15 98 - 15 - 240/4.0=3, 5223/1.8=2...(5) Peak 5226 from cnoeabs.peaks (4.43, 1.28, 25.28 ppm; 4.92 A): 10 out of 18 assignments used, quality = 0.95: HA GLN 55 + HG3 LYS 56 OK 55 99 - 56 - 240/4.7=26, 5224/2.9=16...(6) HA LYS 17 + HG3 LYS 56 OK 37 68 - 54 - 5223/2.9=11, 3.0/555=7...(25) HA LYS 17 + HG3 LYS 17 OK 33 33 - 100 - 3.9=100 HA GLN 55 + HG3 LYS 65 OK 30 86 - 34 - 2586/3.0=6, ~2585=4...(14) HA LYS 17 + HG3 LYS 65 OK 23 55 - 43 - ~2940=5, 3.0/555=5...(18) HA PRO 81 + HG3 LYS 56 OK 14 96 - 15 - 5224/2.9=4, 5223/2.9=3 HA TYR 70 + HG3 LYS 56 OK 12 63 - 19 - 5224/2.9=6, 240/4.7=2...(8) HA ARG 28 + HG3 LYS 56 OK 12 85 - 14 - 5224/2.9=4, 240/4.7=3...(4) HA GLN 55 + HG3 LYS 17 OK 11 56 - 20 - 3.6/763=6, 5173/3.0=2...(5) HA3 GLY 59 + HG3 LYS 17 OK 11 41 - 27 - 5328/3.0=5, 5328/3.0=5...(10) HA3 GLY 59 - HG3 LYS 56 poor 8 81 - 10 - 5223/2.9=3, ~5322=1, ~5315=1 HA ARG 28 - HG3 LYS 65 lone 4 71 - 6 - HA3 GLY 59 - HG3 LYS 65 lone 3 66 - 4 - HA PRO 81 - HG3 LYS 65 lone 2 82 - 3 - HA TYR 70 - HG3 LYS 65 lone 2 50 - 4 - HA PRO 81 - HG3 LYS 17 lone 2 53 - 4 - HA ARG 28 - HG3 LYS 17 lone 1 44 - 3 - HA TYR 70 - HG3 LYS 17 lone 1 30 - 4 - Peak 5227 from cnoeabs.peaks (1.99, 1.39, 28.78 ppm; 4.88 A): 4 out of 12 assignments used, quality = 1.00: HB2 LEU 34 + HD3 LYS 56 OK 88 98 - 90 - 3.1/2673=15, 2080/3.0=15...(55) HB2 GLU 51 + HD3 LYS 56 OK 83 87 - 95 - 3.0/5234=29, ~5229=20...(38) HB3 PRO 19 + HD3 LYS 56 OK 65 100 - 65 - ~4373=7, 4370/3.0=6...(26) HB2 PRO 19 + HD3 LYS 56 OK 65 99 - 65 - ~4373=7, 4370/3.0=6...(28) HE3 LYS 68 - HD3 LYS 56 OK 39 100 - 39 - 3106/3.0=5, 3107/3.4=4...(16) HG2 PRO 19 - HD3 LYS 56 OK 38 68 - 57 - 4373/3.0=7, ~4374=6...(22) HB2 GLN 58 - HD3 LYS 56 OK 25 71 - 35 - 4.6/2669=7, 4.6/5309=4...(11) HB2 LYS 78 - HD3 LYS 56 OK 22 99 - 22 - 4.4/2669=5, 4088/5.8=4...(6) HB3 PRO 81 - HD3 LYS 56 OK 14 90 - 15 - ~5224=3, ~5223=2...(5) HG2 PRO 84 - HD3 LYS 56 lone 8 97 - 9 - HB2 GLU 25 - HD3 LYS 56 lone 4 99 - 4 - HB2 GLU 77 - HD3 LYS 56 lone 2 65 - 4 - Peak 5228 from cnoeabs.peaks (4.64, 1.39, 28.78 ppm; 5.96 A): 2 out of 10 assignments used, quality = 0.99: HA PHE 57 + HD3 LYS 56 OK 93 96 - 97 - 2702/3.0=13, 2702/3.0=12...(56) HA LYS 56 + HD3 LYS 56 OK 81 81 - 100 - 5.3=100 HA GLU 33 - HD3 LYS 56 OK 40 99 - 41 - 3.6/3997=9, ~5211=3...(18) HA ASN 90 - HD3 LYS 56 OK 33 60 - 55 - 2620/3.4=5, 2630/3.4=5...(22) HA ARG 27 - HD3 LYS 56 OK 32 76 - 42 - ~5215=4, 3.0/6040=3...(22) HA THR 38 - HD3 LYS 56 OK 17 63 - 27 - 3.2/2673=4, ~4789=3...(10) HA ASN 63 - HD3 LYS 56 poor 10 87 - 11 - ~5395=2, ~5393=1, 2.9/5393=1 HA ASN 24 - HD3 LYS 56 lone 8 95 - 9 - ~80=2, ~4490=2 HA HIS 42 - HD3 LYS 56 lone 5 99 - 5 - HA ASP 82 - HD3 LYS 56 lone 4 76 - 5 - 4.8/5227=1 Peak 5229 from cnoeabs.peaks (5.29, 1.07, 25.28 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.96: HA GLU 51 + HG2 LYS 56 OK 96 100 - 96 - 6052/4.0=30, 5060=28...(24) Peak 5230 from cnoeabs.peaks (5.28, 1.38, 34.15 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.95: HA GLU 51 + HB3 LYS 56 OK 95 96 - 100 - 6052/3.0=45, 5234/3.4=40...(30) Peak 5231 from cnoeabs.peaks (5.30, 1.50, 34.15 ppm; 5.44 A): 1 out of 1 assignment used, quality = 0.96: HA GLU 51 + HB2 LYS 56 OK 96 97 - 99 - 6052/3.0=43, 5229/2.9=42...(31) Peak 5234 from cnoeabs.peaks (5.28, 1.39, 28.78 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.98: HA GLU 51 + HD3 LYS 56 OK 98 99 - 98 - 5229/3.0=39, 6052/5.3=31...(31) Peak 5235 from cnoeabs.peaks (9.39, 1.07, 25.28 ppm; 5.86 A): 1 out of 1 assignment used, quality = 0.86: H VAL 52 + HG2 LYS 56 OK 86 97 - 90 - 3.6/5229=43, 6054/4.0=42...(12) Peak 5236 from cnoeabs.peaks (5.28, 2.82, 41.78 ppm; 5.60 A): 3 out of 3 assignments used, quality = 1.00: HA GLU 51 + HE2 LYS 56 OK 98 99 - 98 - 5229/3.6=37, 5234/3.0=37...(31) HA GLU 51 + HE3 LYS 56 OK 97 99 - 98 - 5229/3.6=37, 5234/3.0=37...(31) HA GLU 51 + HB3 PHE 57 OK 73 83 - 88 - 5085/2.5=41, 5243/4.0=35...(22) Peak 5239 from cnoeabs.peaks (9.18, 2.80, 41.58 ppm; 5.52 A): 4 out of 6 assignments used, quality = 0.96: H VAL 50 + HB3 PHE 57 OK 78 93 - 84 - 5027/2.5=27, 5237/4.0=24...(10) H VAL 50 + HE3 LYS 56 OK 43 78 - 55 - 4998/6.0=11, 4994=10...(13) H ASP 53 + HB3 PHE 57 OK 41 78 - 52 - 5237/4.0=14, 5240/1.8=11...(14) H VAL 50 + HE2 LYS 56 OK 40 74 - 54 - 4998/6.0=11, 4994/1.8=10...(13) H ASP 53 - HE3 LYS 56 OK 15 63 - 24 - 4.6/235=3, 746=2...(13) H ASP 53 - HE2 LYS 56 OK 13 59 - 22 - 746/1.8=3, 5135/4.8=2...(12) Peak 5240 from cnoeabs.peaks (9.17, 3.17, 41.58 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.90: H VAL 50 + HB2 PHE 57 OK 84 98 - 85 - 5027/2.5=32, 5237/4.0=27...(13) H ASP 53 + HB2 PHE 57 OK 42 89 - 47 - 5237/4.0=15, 746/1.8=9...(9) Peak 5241 from cnoeabs.peaks (7.35, 3.17, 41.58 ppm; 5.56 A): 1 out of 4 assignments used, quality = 0.95: H ALA 75 + HB2 PHE 57 OK 95 98 - 97 - 5738/2.5=25, 5751/1.8=24...(29) H GLU 25 - HB2 PHE 57 OK 23 95 - 24 - 3.0/5264=3, 4073/5721=3...(11) QE PHE 46 - HB2 PHE 57 OK 20 99 - 20 - ~4632=3, 5242/1.8=2...(8) QD TYR 70 - HB2 PHE 57 lone 6 81 - 8 - 5039/5016=2 Peak 5242 from cnoeabs.peaks (7.33, 2.80, 41.58 ppm; 5.53 A): 5 out of 15 assignments used, quality = 0.90: H ALA 75 + HB3 PHE 57 OK 68 71 - 96 - 3.4/5720=24, 2.9/5759=22...(23) H ALA 75 + HE3 LYS 56 OK 34 57 - 61 - 2.9/5759=11, 2.9/5753=10...(17) H ALA 75 + HE2 LYS 56 OK 32 53 - 60 - 2.9/5759=10, 2.9/5753=10...(17) QE PHE 46 + HB3 PHE 57 OK 18 99 - 18 - 5241/1.8=5, ~4632=3...(5) HZ PHE 46 + HE3 LYS 56 OK 17 77 - 23 - 4643/3.0=5, 4644/3.6=4...(7) HZ PHE 46 - HE2 LYS 56 OK 16 72 - 23 - 4643/3.0=5, 4644/3.6=4...(7) QE PHE 46 - HE3 LYS 56 OK 15 85 - 18 - ~4643=4, 4741/4.8=3...(5) QE PHE 46 - HE2 LYS 56 OK 14 81 - 17 - ~4643=4, 4741/4.8=3...(5) HZ PHE 46 - HB3 PHE 57 OK 12 92 - 13 - ~5241=4, 4632/3.0=3, ~4631=2 QD TYR 70 - HE3 LYS 56 OK 12 87 - 14 - ~5603=2, 4695/4.8=2...(5) QD TYR 70 - HE2 LYS 56 OK 11 83 - 13 - ~5603=2, 4695/4.8=2...(5) H GLU 25 - HB3 PHE 57 OK 10 60 - 17 - 5241/1.8=5, ~5264=3...(4) QD TYR 70 - HB3 PHE 57 lone 7 100 - 7 - 5241/1.8=1 H GLU 25 - HE3 LYS 56 lone 3 47 - 7 - H GLU 25 - HE2 LYS 56 lone 3 44 - 7 - Peak 5253 from cnoeabs.peaks (1.78, 3.17, 41.58 ppm; 3.90 A): 3 out of 14 assignments used, quality = 0.93: QB ALA 74 + HB2 PHE 57 OK 85 100 - 86 - 5730/2.5=25, 5721=23...(18) HB2 ARG 27 + HB2 PHE 57 OK 39 100 - 39 - 4669/2.5=5, 1772=4...(17) HB2 ARG 28 + HB2 PHE 57 OK 25 97 - 26 - 1828=3, 4.0/627=3...(11) HB3 ARG 28 - HB2 PHE 57 OK 25 97 - 26 - 1836=3, 4.0/627=3...(10) HD3 LYS 78 - HB2 PHE 57 OK 25 99 - 25 - 3347/4.4=7, 5829/5.8=7 HB3 GLN 55 - HB2 PHE 57 OK 25 65 - 38 - ~5187=9, 4669/2.5=6...(8) HB2 LEU 73 - HB2 PHE 57 poor 10 76 - 13 - 4.4/5726=4, 3.1/5255=1 HB2 LYS 65 - HB2 PHE 57 lone 9 97 - 9 - ~5190=2, 4669/2.5=1 HB2 LYS 31 - HB2 PHE 57 lone 8 97 - 8 - 4669/2.5=1 HB2 MET 48 - HB2 PHE 57 lone 7 89 - 8 - 5265/4.7=2 HG3 GLU 37 - HB2 PHE 57 lone 6 97 - 6 - 5265/4.7=1 QE MET 11 - HB2 PHE 57 lone 4 99 - 4 - HB3 MET 48 - HB2 PHE 57 lone 3 71 - 4 - HB2 LYS 91 - HB2 PHE 57 lone 3 90 - 3 - Peak 5254 from cnoeabs.peaks (1.52, 3.17, 41.58 ppm; 5.44 A): 4 out of 16 assignments used, quality = 1.00: HD2 LYS 56 + HB2 PHE 57 OK 86 93 - 92 - 3.0/2708=12, 3.0/2708=11...(42) HB2 LYS 56 + HB2 PHE 57 OK 83 89 - 93 - 4.6/770=20, 3.0/2706=15...(38) QB ALA 71 + HB2 PHE 57 OK 77 100 - 77 - 5652/1.8=20, ~5656=19...(15) HG3 ARG 27 + HB2 PHE 57 OK 57 100 - 57 - 2.9/5253=7, 1796=5...(21) HG LEU 34 - HB2 PHE 57 OK 34 100 - 35 - 2089/4.0=9, ~4667=5...(8) QB ALA 72 - HB2 PHE 57 OK 32 71 - 46 - 5696/2.5=19, 2.1/5264=10...(10) HD3 LYS 64 - HB2 PHE 57 OK 27 99 - 27 - 2.9/5256=6, ~4673=4...(8) HB3 LYS 26 - HB2 PHE 57 OK 24 100 - 24 - 3.6/5255=4, 4.3/619=3...(7) HG LEU 30 - HB2 PHE 57 OK 24 78 - 31 - 2.1/5255=6, ~4672=5...(9) HD2 LYS 17 - HB2 PHE 57 OK 20 98 - 21 - 3826/4.0=2, 2660/3.0=2...(7) HD3 LYS 17 - HB2 PHE 57 OK 20 98 - 21 - 3826/4.0=2, 2660/3.0=2...(7) HB3 LEU 87 - HB2 PHE 57 OK 12 93 - 13 - 3.1/5255=1, ~5261=1...(4) HB2 LEU 85 - HB2 PHE 57 OK 11 100 - 11 - HG2 GLU 37 - HB2 PHE 57 poor 9 90 - 10 - 1.8/5253=1, 5266/4.7=1 HB3 LYS 44 - HB2 PHE 57 lone 7 76 - 10 - 253/4.0=2 HB2 ARG 45 - HB2 PHE 57 lone 5 98 - 5 - Peak 5255 from cnoeabs.peaks (0.87, 3.17, 41.58 ppm; 4.70 A): 2 out of 9 assignments used, quality = 0.95: QB ALA 75 + HB2 PHE 57 OK 90 100 - 90 - 5741/2.5=25, 5759/1.8=22...(21) QD1 LEU 76 + HB2 PHE 57 OK 49 93 - 53 - 2.1/5256=15, 4672/2.5=10...(11) QD2 LEU 30 - HB2 PHE 57 OK 28 100 - 29 - 4672/2.5=5, 4665/4.4=4...(9) HD2 LYS 26 - HB2 PHE 57 OK 22 89 - 24 - 4672/2.5=5, 4665/4.4=4...(9) QD2 LEU 73 - HB2 PHE 57 OK 12 65 - 18 - 4.6/5726=6, 4665/4.4=2...(4) QG2 VAL 47 - HB2 PHE 57 OK 10 68 - 15 - 3.9/4001=6, 2399/4.7=4 QD2 LEU 87 - HB2 PHE 57 lone 7 76 - 9 - 4665/4.4=2, 4672/2.5=1, ~5261=1 QD1 LEU 85 - HB2 PHE 57 lone 5 76 - 7 - QD1 LEU 87 - HB2 PHE 57 lone 5 68 - 7 - Peak 5256 from cnoeabs.peaks (0.70, 3.17, 41.58 ppm; 4.17 A): 3 out of 3 assignments used, quality = 0.95: QG1 VAL 50 + HB2 PHE 57 OK 85 100 - 85 - 5038/2.5=35, 5016=27...(17) QD2 LEU 76 + HB2 PHE 57 OK 56 90 - 62 - 4673/2.5=13, 5769=13...(18) HG3 LYS 64 + HB2 PHE 57 OK 22 99 - 22 - 4673/2.5=5, 5248/4.0=3...(6) Peak 5257 from cnoeabs.peaks (0.88, 2.80, 41.58 ppm; 4.62 A): 3 out of 24 assignments used, quality = 0.97: QB ALA 75 + HB3 PHE 57 OK 87 98 - 89 - 5741/2.5=24, 5759=24...(18) QD1 LEU 76 + HB3 PHE 57 OK 54 100 - 54 - ~5256=11, ~4673=10...(12) QB ALA 75 + HE3 LYS 56 OK 46 84 - 54 - 5759=11, 5759/1.8=9...(16) QB ALA 75 - HE2 LYS 56 OK 43 80 - 54 - 5759=10, 5759/1.8=10...(16) QD2 LEU 30 - HB3 PHE 57 OK 25 98 - 26 - 4672/2.5=5, 5255/1.8=4...(6) HB3 LEU 30 - HB3 PHE 57 OK 22 83 - 27 - 5261/2.5=5, 4582/5005=3...(9) QD1 LEU 76 - HE3 LYS 56 OK 18 88 - 21 - 6206/3.6=7, 2.1/5258=2...(4) QD1 LEU 76 - HE2 LYS 56 OK 17 84 - 21 - 6206/3.6=7, 2.1/5258=2...(4) HD3 LYS 26 - HB3 PHE 57 OK 15 83 - 18 - 5261/2.5=4, ~4672=3...(6) HD2 LYS 26 - HB3 PHE 57 OK 12 63 - 19 - 4672/2.5=4, 5255/1.8=3...(6) QD2 LEU 30 - HE3 LYS 56 OK 11 84 - 13 - 4586/5005=2, 1915/3.0=1 QD2 LEU 30 - HE2 LYS 56 poor 10 80 - 12 - 4586/5005=2, 1915/3.0=1 QD1 LEU 87 - HB3 PHE 57 lone 9 92 - 10 - 5261/2.5=1 HB3 LEU 30 - HE3 LYS 56 poor 9 68 - 13 - 4582/5005=2, 1894/3.0=1 HB3 LEU 30 - HE2 LYS 56 poor 8 63 - 12 - 4582/5005=2, 1894/3.0=1 QD1 LEU 85 - HB3 PHE 57 lone 7 96 - 8 - 5261/2.5=1 HD3 LYS 26 - HE3 LYS 56 lone 7 68 - 10 - HD3 LYS 26 - HE2 LYS 56 lone 6 63 - 10 - QD1 LEU 87 - HE3 LYS 56 lone 6 77 - 8 - QD1 LEU 87 - HE2 LYS 56 lone 5 72 - 7 - QD1 LEU 85 - HE3 LYS 56 lone 5 81 - 6 - QD1 LEU 85 - HE2 LYS 56 lone 5 77 - 6 - HD2 LYS 26 - HE3 LYS 56 lone 5 50 - 9 - HD2 LYS 26 - HE2 LYS 56 lone 4 46 - 9 - Peak 5258 from cnoeabs.peaks (0.70, 2.80, 41.58 ppm; 3.86 A): 4 out of 12 assignments used, quality = 0.96: QG1 VAL 50 + HB3 PHE 57 OK 79 98 - 80 - 5038/2.5=31, 5015=23...(17) QD2 LEU 76 + HB3 PHE 57 OK 50 97 - 52 - 4673/2.5=11, 5256/1.8=11...(15) QG1 VAL 50 + HE3 LYS 56 OK 38 84 - 45 - 5015=10, 5015/1.8=8...(15) QG1 VAL 50 + HE2 LYS 56 OK 36 80 - 44 - 5015=9, 5015/1.8=9...(15) HG3 LYS 64 - HB3 PHE 57 OK 20 100 - 20 - 5256/1.8=4, 4673/2.5=4...(5) QD2 LEU 76 - HE3 LYS 56 OK 17 83 - 20 - 6207/3.6=3, 6185/3.0=2...(7) QD2 LEU 76 - HE2 LYS 56 OK 16 79 - 20 - 6207/3.6=3, 6185/3.0=2...(6) HG3 LYS 64 - HE3 LYS 56 OK 15 89 - 17 - 2864/3.0=2, 2859/4.8=2...(4) HG3 LYS 64 - HE2 LYS 56 OK 15 84 - 17 - 2864/3.0=2, 2859/4.8=2...(4) QG2 VAL 20 - HB3 PHE 57 lone 6 73 - 8 - 4673/2.5=2, 4666/4.4=1 QG2 VAL 20 - HE3 LYS 56 lone 5 59 - 8 - 4402/3.6=2, 4401/3.0=1...(4) QG2 VAL 20 - HE2 LYS 56 lone 5 55 - 8 - 4402/3.6=2, 4401/3.0=1...(4) Peak 5259 from cnoeabs.peaks (2.03, 7.16, 132.69 ppm; 5.31 A): 3 out of 8 assignments used, quality = 0.98: HB2 GLN 55 + QD PHE 57 OK 80 88 - 92 - 5186/2.2=24, 5187=22...(22) HG3 GLN 55 + QD PHE 57 OK 79 87 - 91 - 5193/2.2=22, 5192/3.8=22...(19) HA ALA 75 + QD PHE 57 OK 60 65 - 93 - 2.1/5741=24, 4.4/5730=22...(20) HB3 GLU 49 - QD PHE 57 OK 32 82 - 39 - 4.3/5027=18, 4937/4.4=11...(8) HG2 GLU 49 - QD PHE 57 OK 31 80 - 39 - 4935/4.4=13, 4948/3.7=9...(10) HB2 LEU 23 - QD PHE 57 OK 30 80 - 38 - ~4483=7, ~4664=6...(9) HB2 MET 21 - QD PHE 57 OK 13 51 - 25 - 1.8/4667=5, ~4658=5...(6) QE MET 21 - QD PHE 57 poor 8 55 - 15 - 4.2/4667=4, 6155/4.4=3...(4) Peak 5260 from cnoeabs.peaks (1.77, 7.16, 132.69 ppm; 4.71 A): 4 out of 14 assignments used, quality = 0.98: QB ALA 74 + QD PHE 57 OK 80 86 - 93 - 5730=27, 5720/2.5=23...(23) HB3 GLN 55 + QD PHE 57 OK 63 75 - 84 - 1.8/5187=19, ~5186=16...(16) HD3 LYS 78 + QD PHE 57 OK 53 75 - 71 - 5829/3.8=16, 3347/2.2=15...(15) HB2 ARG 27 + QD PHE 57 OK 47 86 - 54 - ~4662=7, 5253/2.5=6...(20) HB3 ARG 28 - QD PHE 57 OK 24 90 - 27 - 5253/2.5=4, ~5253=3...(11) HB2 ARG 28 - QD PHE 57 OK 18 69 - 27 - 5253/2.5=4, ~5253=3...(12) HB2 LYS 65 - QD PHE 57 OK 14 67 - 21 - 1.8/5190=3, ~5189=2...(9) HB2 LYS 31 - QD PHE 57 OK 12 69 - 18 - 4604/5046=5, ~4662=2...(6) HB2 LEU 73 - QD PHE 57 OK 12 81 - 15 - ~4665=2, 4661/2.2=2...(5) HG3 GLU 37 - QD PHE 57 poor 7 67 - 10 - 5265/4.5=2 HB2 MET 48 - QD PHE 57 poor 6 53 - 11 - 5265/4.5=2, 5253/2.5=1 QE MET 11 - QD PHE 57 lone 6 90 - 6 - 5265/4.5=1 HB3 MET 48 - QD PHE 57 lone 5 78 - 7 - HB2 LYS 91 - QD PHE 57 lone 3 55 - 5 - Peak 5261 from cnoeabs.peaks (0.89, 7.16, 132.69 ppm; 4.59 A): 4 out of 8 assignments used, quality = 0.93: QB ALA 75 + QD PHE 57 OK 61 69 - 89 - 5741=20, 4.5/5730=17...(24) QD1 LEU 76 + QD PHE 57 OK 59 87 - 68 - 2.1/4673=14, ~5256=9...(22) HB3 LEU 30 + QD PHE 57 OK 35 86 - 41 - 4582/5046=8, 4664/2.2=5...(14) HD3 LYS 26 + QD PHE 57 OK 27 86 - 32 - ~4665=6, 4664/2.2=6...(12) QD2 LEU 30 - QD PHE 57 OK 22 69 - 32 - 4586/5046=7, ~4664=4...(10) QD2 LEU 23 - QD PHE 57 OK 21 60 - 35 - ~4483=7, 4664/2.2=7...(10) QD1 LEU 87 - QD PHE 57 OK 11 89 - 12 - ~4665=2, 4664/2.2=2, 5247/4.4=1 QD1 LEU 85 - QD PHE 57 lone 8 90 - 9 - ~4665=1, 4664/2.2=1 Peak 5262 from cnoeabs.peaks (0.71, 7.16, 132.69 ppm; 4.61 A): 5 out of 5 assignments used, quality = 0.95: QG1 VAL 50 + QD PHE 57 OK 61 71 - 87 - 5038=37, 2.1/5046=22...(16) QD2 LEU 76 + QD PHE 57 OK 61 90 - 68 - 5786/2.2=12, 5769/2.5=12...(24) QD1 LEU 79 + QD PHE 57 OK 44 67 - 66 - 4666/2.2=17, 5867/3.8=11...(16) HG3 LYS 64 + QD PHE 57 OK 23 85 - 27 - 5256/2.5=4, 5248/4.4=3...(10) QG2 VAL 20 + QD PHE 57 OK 15 80 - 19 - 4666/2.2=3, 5674/5696=2...(5) Peak 5264 from cnoeabs.peaks (3.96, 3.17, 41.58 ppm; 5.38 A): 4 out of 7 assignments used, quality = 0.94: HA ALA 71 + HB2 PHE 57 OK 76 100 - 76 - 5629/2.5=26, 5656/1.8=24...(17) HA ALA 72 + HB2 PHE 57 OK 49 100 - 49 - ~5696=19, 5670/5016=6...(14) HA LEU 76 + HB2 PHE 57 OK 38 76 - 50 - 4.0/5256=13, 5.0/5758=11...(15) HA GLU 25 + HB2 PHE 57 OK 18 98 - 18 - 3.0/5241=5, 1638/5241=3...(4) HA PRO 19 - HB2 PHE 57 lone 6 73 - 8 - 4365/5758=1 HA3 GLY 16 - HB2 PHE 57 lone 4 98 - 4 - HB3 SER 62 - HB2 PHE 57 lone 2 68 - 2 - Peak 5269 from cnoeabs.peaks (1.52, 5.81, 53.90 ppm; 3.80 A): 3 out of 16 assignments used, quality = 0.95: QB ALA 71 + HA GLN 58 OK 87 100 - 87 - 5639=49, 5623/3.6=27...(19) HB2 LYS 56 + HA GLN 58 OK 39 89 - 44 - 4.6/5245=11, 3.0/5275=5...(14) HD2 LYS 56 + HA GLN 58 OK 30 93 - 32 - 5.3/5275=4, 5.8/2735=3...(14) HG LEU 34 - HA GLN 58 OK 25 100 - 26 - ~4682=4, ~4687=3...(9) QB ALA 72 - HA GLN 58 OK 25 71 - 36 - 4.2/5639=21, 2.1/5272=4...(6) HD2 LYS 17 - HA GLN 58 OK 17 98 - 18 - 5.1/5274=2, 5315/3.6=2 HD3 LYS 17 - HA GLN 58 OK 17 98 - 18 - 5.1/5274=2, 5315/3.6=2 HD3 LYS 64 - HA GLN 58 OK 13 99 - 14 - ~5267=1, 2.9/5271=1, 5315/3.6=1 HG3 ARG 27 - HA GLN 58 OK 12 100 - 12 - 3151/5628=1, 5315/3.6=1 HB3 LYS 26 - HA GLN 58 OK 11 100 - 11 - 5315/3.6=1 HB2 LEU 85 - HA GLN 58 OK 10 100 - 10 - 5315/3.6=1 HG2 GLU 37 - HA GLN 58 lone 8 90 - 9 - ~5265=1 HB2 ARG 45 - HA GLN 58 lone 6 98 - 6 - HB3 LEU 87 - HA GLN 58 lone 5 93 - 6 - HG LEU 30 - HA GLN 58 lone 5 78 - 7 - 4991/5026=1 HB3 LYS 44 - HA GLN 58 lone 5 76 - 6 - Peak 5270 from cnoeabs.peaks (0.81, 5.81, 53.90 ppm; 4.36 A): 3 out of 8 assignments used, quality = 0.99: QG1 VAL 47 + HA GLN 58 OK 86 98 - 88 - 5975=24, 4.3/4899=23...(33) QG2 ILE 35 + HA GLN 58 OK 80 97 - 83 - 3.1/4728=22, 4709/5.6=17...(31) QG2 VAL 47 + HA GLN 58 OK 51 63 - 81 - 4.3/4899=23, 2.1/5975=21...(30) HG3 LYS 68 - HA GLN 58 OK 35 97 - 36 - 5661/5639=4, 5287/2.9=3...(16) QD2 LEU 73 - HA GLN 58 OK 11 65 - 16 - 5317/3.6=1, 5287/2.9=1 QD2 LEU 79 - HA GLN 58 OK 10 63 - 16 - ~5288=3, 4.8/2735=2...(7) QD2 LEU 85 - HA GLN 58 poor 10 73 - 13 - 5317/3.6=1, 3.1/5269=1 QD1 LEU 23 - HA GLN 58 lone 6 71 - 9 - 5661/5639=2 Peak 5271 from cnoeabs.peaks (0.68, 5.81, 53.90 ppm; 5.57 A): 4 out of 4 assignments used, quality = 0.94: QG1 VAL 50 + HA GLN 58 OK 75 87 - 86 - 4.0/5026=42, 5035=31...(19) QD1 ILE 35 + HA GLN 58 OK 61 65 - 94 - 4728=33, 4742/4.0=25...(32) QD2 LEU 12 + HA GLN 58 OK 29 90 - 32 - ~5288=7, 5307/5.6=4...(9) HG3 LYS 64 + HA GLN 58 OK 15 65 - 22 - 5267/3.0=4, 5662/5639=3...(6) Peak 5272 from cnoeabs.peaks (3.97, 5.81, 53.90 ppm; 4.71 A): 3 out of 6 assignments used, quality = 0.94: HA ALA 71 + HA GLN 58 OK 89 99 - 90 - 5628=49, 2.1/5639=46...(11) HA ALA 72 + HA GLN 58 OK 27 95 - 29 - 5318/3.6=5, 3153/5639=5...(9) HA PRO 19 + HA GLN 58 OK 26 95 - 27 - 4142/5.6=4, 5318/3.6=3...(9) HA3 GLY 16 - HA GLN 58 lone 10 100 - 10 - 5318/3.6=3, 4312/4728=2 HA GLU 25 - HA GLN 58 lone 7 100 - 7 - 3153/5639=1, 5318/3.6=1 HB3 SER 62 - HA GLN 58 lone 3 92 - 3 - Peak 5273 from cnoeabs.peaks (4.06, 5.81, 53.90 ppm; 5.42 A): 1 out of 3 assignments used, quality = 0.97: HA2 GLY 59 + HA GLN 58 OK 97 100 - 97 - 3.0/264=50, 5334=50...(14) HA3 GLY 61 - HA GLN 58 OK 18 92 - 20 - 783/3.6=8, 4873/4899=5...(4) HA3 GLY 54 - HA GLN 58 OK 12 100 - 12 - 783/3.6=3, ~257=2...(5) Peak 5274 from cnoeabs.peaks (4.45, 5.81, 53.90 ppm; 5.47 A): 1 out of 2 assignments used, quality = 0.97: HA3 GLY 59 + HA GLN 58 OK 97 100 - 97 - 3.0/264=50, 5333=49...(14) HA LYS 17 - HA GLN 58 OK 26 100 - 26 - 784/3.6=7, 3.6/5245=5...(10) Peak 5275 from cnoeabs.peaks (4.66, 5.81, 53.90 ppm; 5.65 A): 2 out of 6 assignments used, quality = 0.96: HA PHE 57 + HA GLN 58 OK 84 100 - 84 - 4000/3.0=43, 2.9/5245=33...(14) HA LYS 56 + HA GLN 58 OK 73 100 - 74 - 3.6/5245=30, 5286/4.0=15...(18) HA GLU 33 - HA GLN 58 OK 26 73 - 35 - 2.9/5290=13, 5286/4.0=5...(9) HA ASN 90 - HA GLN 58 OK 11 95 - 12 - 4998/5026=2, 258/3.0=2...(4) HA HIS 42 - HA GLN 58 lone 3 73 - 3 - HA ASN 24 - HA GLN 58 lone 2 60 - 4 - Peak 5276 from cnoeabs.peaks (1.51, 2.39, 33.72 ppm; 4.89 A): 3 out of 14 assignments used, quality = 0.96: HB2 LYS 56 + HG2 GLN 58 OK 74 99 - 75 - 3.0/5286=14, 2619/3.5=10...(29) QB ALA 71 + HG2 GLN 58 OK 68 95 - 72 - 5639/4.0=33, 5623/267=16...(16) HD2 LYS 56 + HG2 GLN 58 OK 48 71 - 68 - 5.3/5286=9, 3.4/5277=6...(30) HG LEU 34 - HG2 GLN 58 OK 25 99 - 25 - 5269/4.0=3, 5281/1.8=2...(11) HD2 LYS 17 - HG2 GLN 58 OK 24 100 - 24 - 5281/1.8=2, 5303/3.5=2...(10) HD3 LYS 17 - HG2 GLN 58 OK 24 100 - 24 - 5281/1.8=2, 5303/3.5=2...(10) HB2 LEU 85 - HG2 GLN 58 OK 19 99 - 19 - 5281/1.8=2, 5303/3.5=2...(6) QB ALA 72 - HG2 GLN 58 OK 16 93 - 17 - 5269/4.0=3, 5681/2.9=2...(9) HD3 LYS 64 - HG2 GLN 58 OK 14 89 - 15 - 5281/1.8=1, ~5288=1...(5) HB3 LYS 26 - HG2 GLN 58 OK 11 97 - 12 - 5269/4.0=1, 5281/1.8=1 HB2 ARG 45 - HG2 GLN 58 OK 10 100 - 10 - ~5305=1, 5281/1.8=1, 5303/3.5=1 HG2 GLU 37 - HG2 GLN 58 OK 10 100 - 10 - HG3 ARG 27 - HG2 GLN 58 poor 10 97 - 10 - 5269/4.0=1, 4536/4993=1 HB3 LEU 87 - HG2 GLN 58 poor 8 71 - 11 - 3.9/2759=1 Peak 5277 from cnoeabs.peaks (1.37, 2.39, 33.72 ppm; 5.24 A): 4 out of 12 assignments used, quality = 0.97: HB3 LYS 56 + HG2 GLN 58 OK 74 97 - 77 - 3.0/5286=16, 2629/3.5=11...(26) HB3 LEU 12 + HG2 GLN 58 OK 51 99 - 52 - 3.1/5280=13, ~5285=9...(12) HD3 LYS 56 + HG2 GLN 58 OK 49 71 - 69 - 5.3/5286=11, 3.4/5276=7...(25) HG2 LYS 68 + HG2 GLN 58 OK 47 100 - 47 - 1.8/5279=6, 5309/3.5=5...(18) HG2 LYS 44 - HG2 GLN 58 OK 27 100 - 28 - ~5305=4, 5304/3.5=4...(8) QB ALA 67 - HG2 GLN 58 OK 23 100 - 23 - 5503/4830=4, 5508/6193=3...(10) HB2 LYS 64 - HG2 GLN 58 OK 17 99 - 17 - 5283/1.8=2, ~5288=2...(7) QB ALA 69 - HG2 GLN 58 OK 15 89 - 17 - 5304/3.5=1, ~6154=1...(7) HG2 LYS 91 - HG2 GLN 58 lone 7 89 - 8 - 5283/1.8=1 HG3 LYS 91 - HG2 GLN 58 lone 7 89 - 8 - 5283/1.8=1 QB ALA 86 - HG2 GLN 58 lone 5 65 - 7 - 3.7/2759=1 QB ALA 89 - HG2 GLN 58 lone 5 96 - 5 - Peak 5278 from cnoeabs.peaks (1.14, 2.39, 33.72 ppm; 5.36 A): 1 out of 2 assignments used, quality = 1.00: HG12 ILE 35 + HG2 GLN 58 OK 100 100 - 100 - 2.1/4742=48, 5282/1.8=32...(41) QG1 VAL 66 - HG2 GLN 58 OK 11 71 - 15 - 5282/1.8=4, 2149/4742=2...(5) Peak 5279 from cnoeabs.peaks (0.81, 2.39, 33.72 ppm; 4.09 A): 3 out of 8 assignments used, quality = 0.99: QG2 ILE 35 + HG2 GLN 58 OK 94 97 - 97 - 3.1/4742=28, 4709/3.5=25...(44) QG1 VAL 47 + HG2 GLN 58 OK 78 98 - 80 - 6193=26, 5975/4.0=13...(24) QG2 VAL 47 + HG2 GLN 58 OK 47 63 - 74 - 2.1/6193=21, 6193=13...(23) HG3 LYS 68 - HG2 GLN 58 OK 36 97 - 37 - 5284/1.8=5, 5311/3.5=4...(16) QD2 LEU 79 - HG2 GLN 58 OK 13 63 - 20 - ~5288=3, 4.8/2759=2...(11) QD2 LEU 85 - HG2 GLN 58 OK 10 73 - 14 - 5284/1.8=1, 5306/3.5=1...(4) QD2 LEU 73 - HG2 GLN 58 poor 10 65 - 15 - 5284/1.8=1, 5287/2.9=1 QD1 LEU 23 - HG2 GLN 58 lone 5 71 - 7 - Peak 5280 from cnoeabs.peaks (0.65, 2.39, 33.72 ppm; 4.42 A): 2 out of 2 assignments used, quality = 0.99: QD1 ILE 35 + HG2 GLN 58 OK 99 99 - 99 - 4742=50, 4721/3.5=32...(44) QD2 LEU 12 + HG2 GLN 58 OK 45 89 - 51 - 5285/1.8=12, 5307/3.5=9...(17) Peak 5281 from cnoeabs.peaks (1.51, 2.27, 33.72 ppm; 4.96 A): 3 out of 16 assignments used, quality = 0.96: QB ALA 71 + HG3 GLN 58 OK 72 99 - 72 - 5639/4.0=36...(11) HB2 LYS 56 + HG3 GLN 58 OK 69 96 - 72 - ~5286=10, 2619/3.5=10...(25) HD2 LYS 56 + HG3 GLN 58 OK 53 85 - 62 - ~2669=6, 5308/3.5=5...(25) HD2 LYS 17 - HG3 GLN 58 OK 22 100 - 23 - 5276/1.8=3, 5303/3.5=2...(9) HD3 LYS 17 - HG3 GLN 58 OK 22 100 - 23 - 5276/1.8=3, 5303/3.5=2...(9) HG LEU 34 - HG3 GLN 58 OK 22 100 - 22 - 5269/4.0=3, 5276/1.8=3...(7) HB2 LEU 85 - HG3 GLN 58 OK 21 100 - 20 - 4.0/398=3, 5276/1.8=2...(7) HB3 LYS 44 - HG3 GLN 58 OK 15 63 - 23 - 1.8/6044=5, 2.9/5283=3...(9) HD3 LYS 64 - HG3 GLN 58 OK 14 97 - 15 - 5276/1.8=2, 3.8/5283=2...(5) QB ALA 72 - HG3 GLN 58 OK 14 83 - 17 - 5269/4.0=3, 5276/1.8=2...(8) HB3 LYS 26 - HG3 GLN 58 OK 11 100 - 11 - 5276/1.8=1, 5269/4.0=1 HG3 ARG 27 - HG3 GLN 58 OK 10 100 - 10 - 5269/4.0=1, 5276/1.8=1 HB2 ARG 45 - HG3 GLN 58 OK 10 100 - 10 - ~5305=1, 5276/1.8=1, 5303/3.5=1 HG2 GLU 37 - HG3 GLN 58 lone 9 97 - 10 - 5276/1.8=1 HB3 LEU 87 - HG3 GLN 58 poor 9 85 - 10 - 3.9/2767=1 HG LEU 30 - HG3 GLN 58 lone 4 65 - 5 - 4991/5293=1 Peak 5282 from cnoeabs.peaks (1.13, 2.27, 33.72 ppm; 5.37 A): 1 out of 3 assignments used, quality = 0.95: HG12 ILE 35 + HG3 GLN 58 OK 95 96 - 100 - ~4742=38, 2.1/5285=35...(39) QG1 VAL 66 - HG3 GLN 58 OK 12 93 - 13 - 5278/1.8=4, 2.1/6044=2 QG2 THR 13 - HG3 GLN 58 lone 2 63 - 4 - Peak 5283 from cnoeabs.peaks (1.36, 2.27, 33.72 ppm; 6.05 A): 4 out of 11 assignments used, quality = 0.94: HB3 LYS 56 + HG3 GLN 58 OK 66 81 - 82 - ~5286=15, 5304/3.5=12...(27) HB3 LEU 12 + HG3 GLN 58 OK 50 85 - 58 - 3.1/5285=13, ~5280=12...(12) HG2 LYS 68 + HG3 GLN 58 OK 48 97 - 50 - 5277/1.8=6, ~5279=6...(15) HG2 LYS 44 + HG3 GLN 58 OK 30 95 - 32 - ~5305=5, 2.9/6044=5...(9) QB ALA 67 - HG3 GLN 58 OK 19 93 - 21 - 5316/4009=4, 5277/1.8=3...(7) HB2 LYS 64 - HG3 GLN 58 OK 19 100 - 19 - 5277/1.8=2, ~5288=2...(7) QB ALA 69 - HG3 GLN 58 OK 12 63 - 18 - 5277/1.8=2, ~6154=2...(7) HG2 LYS 91 - HG3 GLN 58 OK 10 99 - 10 - 5316/4009=1, 5277/1.8=1 HG3 LYS 91 - HG3 GLN 58 OK 10 99 - 10 - 5316/4009=1, 5277/1.8=1 QB ALA 86 - HG3 GLN 58 lone 9 90 - 9 - 3.7/2767=1, ~1014=1, 4126/3.5=1 QB ALA 89 - HG3 GLN 58 lone 6 100 - 6 - Peak 5284 from cnoeabs.peaks (0.81, 2.27, 33.72 ppm; 3.91 A): 2 out of 8 assignments used, quality = 0.98: QG2 ILE 35 + HG3 GLN 58 OK 92 97 - 95 - 4709/3.5=23, 3.1/5285=19...(41) QG1 VAL 47 + HG3 GLN 58 OK 71 98 - 73 - 6193/1.8=20, 5975/4.0=12...(20) QG2 VAL 47 - HG3 GLN 58 OK 42 63 - 66 - ~6193=14, 6193/1.8=10...(20) HG3 LYS 68 - HG3 GLN 58 OK 30 97 - 31 - 5279/1.8=4, 5311/3.5=3...(13) QD2 LEU 79 - HG3 GLN 58 OK 11 63 - 18 - ~5288=2, 3412/3.5=2...(10) QD2 LEU 85 - HG3 GLN 58 poor 10 73 - 13 - 4.7/398=1, 5279/1.8=1...(4) QD2 LEU 73 - HG3 GLN 58 poor 9 65 - 13 - 5279/1.8=1, 5287/2.9=1 QD1 LEU 23 - HG3 GLN 58 lone 4 71 - 5 - Peak 5285 from cnoeabs.peaks (0.65, 2.27, 33.72 ppm; 4.12 A): 1 out of 2 assignments used, quality = 0.98: QD1 ILE 35 + HG3 GLN 58 OK 98 99 - 98 - 4742/1.8=36, 4721/3.5=28...(40) QD2 LEU 12 - HG3 GLN 58 OK 38 89 - 43 - 5280/1.8=11, 5307/3.5=8...(15) Peak 5286 from cnoeabs.peaks (4.66, 2.39, 33.72 ppm; 5.20 A): 3 out of 6 assignments used, quality = 0.91: HA LYS 56 + HG2 GLN 58 OK 74 100 - 75 - 2609/3.5=10, 3.0/2759=10...(24) HA PHE 57 + HG2 GLN 58 OK 54 100 - 54 - 4000/4.9=31, 5275/4.0=11...(12) HA GLU 33 + HG2 GLN 58 OK 23 73 - 32 - 2.9/5292=10, ~6044=3...(10) HA ASN 90 - HG2 GLN 58 lone 8 95 - 8 - 5275/4.0=2, 4998/4993=1 HA ASN 24 - HG2 GLN 58 lone 2 60 - 4 - ~1032=1 HA HIS 42 - HG2 GLN 58 lone 2 73 - 3 - Peak 5287 from cnoeabs.peaks (0.81, 1.89, 31.62 ppm; 3.83 A): 3 out of 8 assignments used, quality = 0.97: QG2 ILE 35 + HB3 GLN 58 OK 83 97 - 86 - 4709/4.6=17, ~4742=11...(32) QG1 VAL 47 + HB3 GLN 58 OK 67 98 - 68 - 6193/2.9=16, 5975/2.9=14...(20) QG2 VAL 47 + HB3 GLN 58 OK 40 63 - 63 - ~6193=10, ~5975=9...(19) HG3 LYS 68 - HB3 GLN 58 OK 22 97 - 23 - 5279/2.9=3, 5284/2.9=3...(8) QD2 LEU 79 - HB3 GLN 58 poor 9 63 - 15 - 2.1/5288=5, 4.8/2751=1...(5) QD2 LEU 73 - HB3 GLN 58 poor 9 65 - 13 - 3.1/6140=1, 3.1/6138=1 QD2 LEU 85 - HB3 GLN 58 lone 6 73 - 8 - 5284/2.9=1 QD1 LEU 23 - HB3 GLN 58 lone 2 71 - 3 - Peak 5288 from cnoeabs.peaks (0.73, 1.89, 31.62 ppm; 3.51 A): 0 out of 7 assignments used, low quality = 0.37: QG2 VAL 20 - HB3 GLN 58 OK 16 100 - 16 - 2.1/2747=2, 1503/1.8=2...(8) QG1 VAL 20 - HB3 GLN 58 OK 15 85 - 17 - 2.1/2747=2, 1498/1.8=2...(9) QD1 LEU 12 - HB3 GLN 58 OK 12 85 - 14 - ~5280=4, ~5285=4...(5) QD1 LEU 79 - HB3 GLN 58 lone 8 97 - 8 - 3405/4.6=2, 2.1/5287=1 QD2 LEU 76 - HB3 GLN 58 lone 8 97 - 8 - 5267/4.0=1, 3252/1.8=1 HG3 LYS 64 - HB3 GLN 58 lone 4 81 - 5 - 5267/4.0=1 HG2 LYS 26 - HB3 GLN 58 lone 2 81 - 2 - Peak 5289 from cnoeabs.peaks (9.19, 5.81, 53.90 ppm; 4.25 A): 1 out of 1 assignment used, quality = 0.63: H VAL 50 + HA GLN 58 OK 63 71 - 88 - 5026=35, 3.6/5298=34...(14) Peak 5290 from cnoeabs.peaks (9.43, 5.81, 53.90 ppm; 5.93 A): 2 out of 2 assignments used, quality = 1.00: H GLU 49 + HA GLN 58 OK 100 100 - 100 - 3.0/5298=50, 4947=43...(21) H GLU 33 + HA GLN 58 OK 63 96 - 66 - 5292/4.0=11, 210/5026=9...(18) Peak 5291 from cnoeabs.peaks (9.17, 2.39, 33.72 ppm; 5.63 A): 1 out of 2 assignments used, quality = 0.94: H VAL 50 + HG2 GLN 58 OK 94 98 - 95 - 4993=49, 5026/4.0=42...(14) H ASP 53 - HG2 GLN 58 OK 24 89 - 28 - 5293/1.8=8, 3966/4973=5...(6) Peak 5292 from cnoeabs.peaks (9.44, 2.39, 33.72 ppm; 6.14 A): 2 out of 2 assignments used, quality = 1.00: H GLU 49 + HG2 GLN 58 OK 99 100 - 99 - 3.0/5295=48, ~5294=40...(22) H GLU 33 + HG2 GLN 58 OK 62 99 - 62 - 5290/4.0=13...(15) Peak 5293 from cnoeabs.peaks (9.16, 2.27, 33.72 ppm; 5.28 A): 2 out of 3 assignments used, quality = 0.92: H VAL 50 + HG3 GLN 58 OK 90 100 - 90 - 4993/1.8=44, 3.6/5294=40...(9) H ASP 53 + HG3 GLN 58 OK 19 97 - 20 - 5291/1.8=7, 3963/5294=5...(5) HE ARG 27 - HG3 GLN 58 lone 3 57 - 5 - Peak 5294 from cnoeabs.peaks (5.67, 2.27, 33.72 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.95: HA GLU 49 + HG3 GLN 58 OK 95 100 - 95 - 5295/1.8=35, 4946/4.0=29...(23) Peak 5295 from cnoeabs.peaks (5.67, 2.39, 33.72 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.99: HA GLU 49 + HG2 GLN 58 OK 99 100 - 99 - 4959=45, 5294/1.8=41...(26) Peak 5296 from cnoeabs.peaks (5.69, 1.96, 31.62 ppm; 5.60 A): 2 out of 3 assignments used, quality = 0.95: HA GLU 49 + HB2 GLN 58 OK 91 92 - 99 - 4946/2.9=45, 5294/2.9=43...(18) HA GLU 49 + HB3 PRO 81 OK 48 81 - 59 - 4946/2738=8, 4959/2741=7...(25) HA GLU 49 - HB VAL 20 poor 9 55 - 16 - ~4150=2, 4946/2738=2...(4) Peak 5297 from cnoeabs.peaks (5.66, 1.89, 31.62 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: HA GLU 49 + HB3 GLN 58 OK 99 99 - 100 - 5298/2.9=50, 5295/2.9=48...(22) Peak 5298 from cnoeabs.peaks (5.66, 5.81, 53.90 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.87: HA GLU 49 + HA GLN 58 OK 87 96 - 91 - 4946=47, 3.6/5026=19...(19) Peak 5320 from cnoeabs.peaks (3.31, 4.06, 44.69 ppm; 3.79 A): 2 out of 2 assignments used, quality = 0.87: HB3 TYR 70 + HA2 GLY 59 OK 80 99 - 81 - 5596=29, 5325/1.8=24...(11) HB2 HIS 15 + HA2 GLY 59 OK 37 93 - 40 - 5325/1.8=13, 5354/3.5=8...(10) Peak 5321 from cnoeabs.peaks (2.98, 4.06, 44.69 ppm; 3.86 A): 2 out of 8 assignments used, quality = 0.87: HB2 TYR 70 + HA2 GLY 59 OK 81 99 - 81 - 5593=28, 1.8/5320=26...(10) HB3 HIS 15 + HA2 GLY 59 OK 34 93 - 36 - 1.8/5320=12, ~5325=9...(9) HD3 ARG 45 - HA2 GLY 59 poor 9 73 - 13 - 3.0/5323=3, 5326/1.8=2...(6) HD2 ARG 45 - HA2 GLY 59 poor 9 73 - 13 - 3.0/5323=3, 5326/1.8=2...(6) HE3 LYS 31 - HA2 GLY 59 lone 9 98 - 9 - 5326/1.8=2, 5355/3.5=2, ~5326=1 HE2 LYS 31 - HA2 GLY 59 lone 9 97 - 9 - 5326/1.8=2, 5355/3.5=2, ~5326=1 HE3 LYS 91 - HA2 GLY 59 lone 8 95 - 8 - 5326/1.8=2, ~5326=1 HE2 LYS 91 - HA2 GLY 59 lone 8 95 - 8 - 5326/1.8=2, ~5326=1 Peak 5322 from cnoeabs.peaks (1.51, 4.06, 44.69 ppm; 3.88 A): 3 out of 16 assignments used, quality = 0.94: QB ALA 71 + HA2 GLY 59 OK 87 99 - 88 - 5623/3.0=33, 2.9/5331=26...(15) HD2 LYS 17 + HA2 GLY 59 OK 30 100 - 30 - 5328/1.8=5, ~5328=3...(11) HD3 LYS 17 + HA2 GLY 59 OK 30 100 - 30 - 5328/1.8=5, ~5328=3...(11) QB ALA 72 - HA2 GLY 59 OK 14 83 - 17 - 5691/5331=3, ~6045=3...(6) HB3 LYS 26 - HA2 GLY 59 OK 14 100 - 14 - 1.8/5323=2, ~5329=2...(6) HB2 ARG 45 - HA2 GLY 59 OK 13 100 - 13 - 2.9/5323=3, ~5329=2...(6) HB2 LEU 85 - HA2 GLY 59 OK 10 100 - 10 - 3578/3.5=2, 5328/1.8=1...(5) HG2 GLU 37 - HA2 GLY 59 lone 10 97 - 10 - ~4911=3, 5328/1.8=1, 5315/3.0=1 HB2 LYS 56 - HA2 GLY 59 poor 10 96 - 10 - 5223/1.8=2, 5315/3.0=1 HG3 ARG 27 - HA2 GLY 59 lone 9 100 - 9 - 5315/3.0=1, 850/5331=1...(4) HD2 LYS 56 - HA2 GLY 59 lone 8 85 - 9 - 5315/3.0=2, ~5223=1, 5328/1.8=1 HG LEU 34 - HA2 GLY 59 lone 7 100 - 7 - 5315/3.0=2, 5328/1.8=1 HD3 LYS 64 - HA2 GLY 59 lone 7 97 - 7 - 5356/3.5=1, 5315/3.0=1 HB3 LEU 87 - HA2 GLY 59 lone 4 85 - 5 - HG LEU 30 - HA2 GLY 59 lone 4 65 - 6 - 1897/5331=1, 5.1/5331=1 HB3 LYS 44 - HA2 GLY 59 lone 3 63 - 5 - 5356/3.5=1 Peak 5323 from cnoeabs.peaks (1.32, 4.06, 44.69 ppm; 4.59 A): 4 out of 8 assignments used, quality = 0.95: QB ALA 60 + HA2 GLY 59 OK 90 92 - 98 - 4.9=82, 5363/1.8=32...(15) HG3 ARG 45 + HA2 GLY 59 OK 20 99 - 21 - 5329/1.8=5, 787/3.5=2...(9) HB VAL 50 + HA2 GLY 59 OK 20 100 - 20 - ~5041=7, 5329/1.8=5...(4) HB2 LYS 26 + HA2 GLY 59 OK 15 90 - 17 - 5329/1.8=3, 1.8/5322=2...(6) HG2 LYS 91 - HA2 GLY 59 poor 7 68 - 11 - 5329/1.8=2, 5316/3.0=2...(6) HG3 LYS 91 - HA2 GLY 59 poor 7 68 - 11 - 5329/1.8=2, 5316/3.0=2...(6) HG3 LYS 31 - HA2 GLY 59 lone 7 71 - 10 - 3.6/5321=2, 3.6/5321=2...(4) QB ALA 86 - HA2 GLY 59 lone 3 90 - 3 - Peak 5324 from cnoeabs.peaks (0.82, 4.06, 44.69 ppm; 5.58 A): 2 out of 8 assignments used, quality = 0.96: QG1 VAL 47 + HA2 GLY 59 OK 85 100 - 85 - 5978/3.0=30, ~5335=21...(12) QG2 VAL 47 + HA2 GLY 59 OK 74 89 - 84 - 5972/4.8=22, ~5978=22...(12) QG2 ILE 35 - HA2 GLY 59 OK 33 100 - 34 - 5317/3.0=8, ~266=5...(8) QD2 LEU 73 - HA2 GLY 59 OK 21 90 - 23 - 5707/4692=5, 5357/3.5=3...(9) QD2 LEU 85 - HA2 GLY 59 OK 19 95 - 20 - 3606/3.5=4, 5330/1.8=2...(9) HG3 LYS 68 - HA2 GLY 59 OK 18 81 - 22 - 5644/5331=4, 5330/1.8=4...(9) HD2 LYS 26 - HA2 GLY 59 OK 12 68 - 17 - 3.6/5323=3, 5357/3.5=3...(6) QD2 LEU 87 - HA2 GLY 59 poor 8 83 - 10 - 3606/3.5=2 Peak 5325 from cnoeabs.peaks (3.32, 4.45, 44.69 ppm; 3.84 A): 2 out of 2 assignments used, quality = 0.85: HB3 TYR 70 + HA3 GLY 59 OK 75 100 - 75 - 5320/1.8=26, 5354/3.5=17...(10) HB2 HIS 15 + HA3 GLY 59 OK 40 98 - 41 - 5320/1.8=12, 5354/3.5=9...(9) Peak 5326 from cnoeabs.peaks (2.98, 4.45, 44.69 ppm; 4.01 A): 2 out of 8 assignments used, quality = 0.86: HB2 TYR 70 + HA3 GLY 59 OK 79 99 - 79 - 1.8/5325=26, 5593/1.8=23...(10) HB3 HIS 15 + HA3 GLY 59 OK 36 93 - 38 - 1.8/5325=14, ~5320=9...(8) HD3 ARG 45 - HA3 GLY 59 poor 10 73 - 13 - 3.0/5329=3, 5321/1.8=2...(6) HD2 ARG 45 - HA3 GLY 59 poor 10 73 - 13 - 3.0/5329=3, 5321/1.8=2...(6) HE3 LYS 31 - HA3 GLY 59 lone 9 98 - 9 - 5321/1.8=2, 5355/3.5=2, ~5321=1 HE2 LYS 31 - HA3 GLY 59 lone 9 97 - 9 - 5321/1.8=2, 5355/3.5=2, ~5321=1 HE3 LYS 91 - HA3 GLY 59 lone 8 95 - 8 - 5321/1.8=2, ~5321=1, 5355/3.5=1 HE2 LYS 91 - HA3 GLY 59 lone 8 95 - 8 - 5321/1.8=2, ~5321=1, 5355/3.5=1 Peak 5327 from cnoeabs.peaks (1.75, 4.45, 44.69 ppm; 5.21 A): 6 out of 9 assignments used, quality = 0.81: HB3 MET 48 + HA3 GLY 59 OK 59 100 - 59 - 4910/3.0=31, ~4911=16...(6) QB ALA 74 + HA3 GLY 59 OK 18 83 - 22 - 5736/3.0=12, 4213/5650=3...(4) QE MET 11 + HA3 GLY 59 OK 15 95 - 16 - 4252/3.5=3, 5319/3.0=3...(5) HB2 LEU 73 + HA3 GLY 59 OK 15 100 - 15 - 5319/3.0=3, ~5324=2...(6) HB2 ARG 27 + HA3 GLY 59 OK 11 83 - 14 - 5319/3.0=3, 1766/5649=2...(6) HB3 GLN 55 + HA3 GLY 59 OK 10 99 - 10 - 5319/3.0=1 HB3 ARG 28 - HA3 GLY 59 lone 9 97 - 10 - 5319/3.0=2, 5646/5649=2...(4) HB3 LYS 65 - HA3 GLY 59 lone 4 83 - 5 - HD3 LYS 78 - HA3 GLY 59 lone 2 63 - 4 - Peak 5328 from cnoeabs.peaks (1.51, 4.45, 44.69 ppm; 4.13 A): 3 out of 14 assignments used, quality = 0.95: QB ALA 71 + HA3 GLY 59 OK 86 95 - 91 - 5623/3.0=34, 2.9/5649=26...(14) HD3 LYS 17 + HA3 GLY 59 OK 43 100 - 43 - 1380=7, 3.0/1360=5...(13) HD2 LYS 17 + HA3 GLY 59 OK 43 100 - 43 - 1380=7, 3.0/1360=5...(13) QB ALA 72 - HA3 GLY 59 OK 22 93 - 24 - 4.2/5651=5, 2.1/6045=5...(7) HB3 LYS 26 - HA3 GLY 59 OK 15 97 - 15 - 1.8/5329=3, 5322/1.8=2...(6) HB2 LYS 56 - HA3 GLY 59 OK 14 99 - 14 - 5223=3, 5322/1.8=2...(4) HB2 ARG 45 - HA3 GLY 59 OK 14 100 - 14 - 2.9/5329=3, ~5323=2...(6) HB2 LEU 85 - HA3 GLY 59 OK 11 99 - 11 - 3578/3.5=2, 5322/1.8=2...(6) HG2 GLU 37 - HA3 GLY 59 OK 11 100 - 11 - ~4911=3, 5322/1.8=2...(4) HG3 ARG 27 - HA3 GLY 59 OK 11 97 - 11 - 2.9/5327=2, 5315/3.0=1...(4) HD2 LYS 56 - HA3 GLY 59 poor 9 71 - 13 - 3.4/5223=2, 5315/3.0=2...(4) HG LEU 34 - HA3 GLY 59 lone 9 99 - 9 - 5315/3.0=2, 5322/1.8=1 HD3 LYS 64 - HA3 GLY 59 lone 7 89 - 8 - 5356/3.5=1, 5315/3.0=1 HB3 LEU 87 - HA3 GLY 59 lone 4 71 - 5 - 3578/3.5=1 Peak 5329 from cnoeabs.peaks (1.32, 4.45, 44.69 ppm; 4.36 A): 4 out of 8 assignments used, quality = 0.93: QB ALA 60 + HA3 GLY 59 OK 87 92 - 95 - 4.9=70, 2.9/273=40...(11) HG3 ARG 45 + HA3 GLY 59 OK 18 99 - 19 - 5323/1.8=4, 787/3.5=2...(9) HB VAL 50 + HA3 GLY 59 OK 18 100 - 18 - ~5041=6, 5323/1.8=4...(4) HB2 LYS 26 + HA3 GLY 59 OK 13 90 - 14 - 5323/1.8=3, 787/3.5=2...(6) HG2 LYS 91 - HA3 GLY 59 lone 7 68 - 10 - 5323/1.8=2, 5316/3.0=2...(6) HG3 LYS 91 - HA3 GLY 59 lone 7 68 - 10 - 5323/1.8=2, 5316/3.0=2...(6) HG3 LYS 31 - HA3 GLY 59 lone 6 71 - 9 - 3.6/5326=2, 3.6/5326=2...(4) QB ALA 86 - HA3 GLY 59 lone 2 90 - 3 - Peak 5330 from cnoeabs.peaks (0.81, 4.45, 44.69 ppm; 5.74 A): 3 out of 8 assignments used, quality = 0.94: QG1 VAL 47 + HA3 GLY 59 OK 83 98 - 85 - 5978/3.0=30, ~5335=23...(13) QG2 VAL 47 + HA3 GLY 59 OK 51 63 - 81 - ~5978=23, ~5335=23...(11) QG2 ILE 35 + HA3 GLY 59 OK 31 97 - 33 - 5317/3.0=6, ~266=5...(10) HG3 LYS 68 - HA3 GLY 59 OK 24 97 - 25 - 5644/5649=5, ~5316=4...(9) QD2 LEU 85 - HA3 GLY 59 OK 14 73 - 19 - 5324/1.8=3, 3606/3.5=3...(9) QD2 LEU 73 - HA3 GLY 59 OK 12 65 - 19 - 3.1/5327=4, 5324/1.8=3...(7) QD1 LEU 23 - HA3 GLY 59 lone 6 71 - 8 - 5644/5649=2 QD2 LEU 79 - HA3 GLY 59 lone 4 63 - 6 - 5644/5649=1 Peak 5331 from cnoeabs.peaks (8.13, 4.06, 44.69 ppm; 3.81 A): 1 out of 4 assignments used, quality = 0.91: H ALA 71 + HA2 GLY 59 OK 91 100 - 91 - 5648=37, 5649/1.8=29...(19) H LEU 30 - HA2 GLY 59 lone 7 92 - 8 - 5338/3.0=2, 5332/1.8=2...(4) H ALA 89 - HA2 GLY 59 lone 4 87 - 5 - 5332/1.8=1 H MET 11 - HA2 GLY 59 lone 2 73 - 2 - Peak 5332 from cnoeabs.peaks (8.10, 4.45, 44.69 ppm; 4.22 A): 1 out of 5 assignments used, quality = 0.65: H ALA 71 + HA3 GLY 59 OK 65 73 - 89 - 5649=27, 5648/1.8=25...(16) H LEU 30 - HA3 GLY 59 lone 6 99 - 7 - 5331/1.8=2, 5338/3.0=1 H ALA 89 - HA3 GLY 59 lone 4 100 - 4 - 5331/1.8=1 H MET 11 - HA3 GLY 59 lone 3 100 - 3 - 6.2/5327=1 H THR 83 - HA3 GLY 59 lone 1 57 - 1 - Peak 5333 from cnoeabs.peaks (5.80, 4.45, 44.69 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.91: HA GLN 58 + HA3 GLY 59 OK 91 98 - 93 - 264/3.0=47, 5334/1.8=37...(14) Peak 5334 from cnoeabs.peaks (5.80, 4.06, 44.69 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.95: HA GLN 58 + HA2 GLY 59 OK 95 100 - 95 - 264/3.0=49, 5333/1.8=42...(13) Peak 5341 from cnoeabs.peaks (8.63, 6.08, 49.56 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.94: H VAL 47 + HA ALA 60 OK 94 99 - 95 - 3.0/5981=46, 5982=44...(11) H GLN 58 - HA ALA 60 OK 25 97 - 25 - 198/4900=7, 2389/5981=7...(5) Peak 5342 from cnoeabs.peaks (9.23, 6.08, 49.56 ppm; 4.09 A): 1 out of 1 assignment used, quality = 0.92: H MET 48 + HA ALA 60 OK 92 100 - 92 - 4900=50, 5344/2.1=33...(14) Peak 5343 from cnoeabs.peaks (8.84, 1.31, 23.27 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.89: H GLY 59 + QB ALA 60 OK 89 99 - 90 - 271/2.9=37, 3.0/5363=31...(13) Peak 5344 from cnoeabs.peaks (9.23, 1.31, 23.27 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.83: H MET 48 + QB ALA 60 OK 83 100 - 83 - 4900/2.1=42, 3.5/5350=26...(12) Peak 5347 from cnoeabs.peaks (7.32, 1.31, 23.27 ppm; 5.60 A): 3 out of 3 assignments used, quality = 0.93: QD TYR 70 + QB ALA 60 OK 85 99 - 85 - 5339/2.9=26, ~5355=26...(14) HZ PHE 46 + QB ALA 60 OK 32 100 - 32 - 3.8/5348=10, 4644=7...(7) QE PHE 46 + QB ALA 60 OK 29 85 - 34 - 2.2/5348=12, 5339/2.9=8...(7) Peak 5348 from cnoeabs.peaks (7.04, 1.31, 23.27 ppm; 5.80 A): 3 out of 3 assignments used, quality = 0.64: HE ARG 45 + QB ALA 60 OK 36 96 - 38 - 2.9/5367=11, 2.9/5367=11...(5) QD PHE 46 + QB ALA 60 OK 27 78 - 35 - ~5359=14, 2.2/5347=8...(5) QE PHE 80 + QB ALA 60 OK 22 98 - 22 - 5.6/5350=7, 3438/5350=5...(4) Peak 5350 from cnoeabs.peaks (5.04, 1.31, 23.27 ppm; 3.57 A): 2 out of 2 assignments used, quality = 0.88: HA VAL 47 + QB ALA 60 OK 84 100 - 84 - 5981/2.1=33, 3.5/5344=19...(15) HA PHE 80 + QB ALA 60 OK 23 100 - 23 - 5351/2.1=7, 5376/3.6=5...(6) Peak 5351 from cnoeabs.peaks (5.04, 6.08, 49.56 ppm; 3.37 A): 2 out of 2 assignments used, quality = 0.87: HA VAL 47 + HA ALA 60 OK 84 100 - 84 - 5981=40, 5350/2.1=24...(13) HA PHE 80 + HA ALA 60 OK 21 100 - 21 - 5350/2.1=7, 5376/3.6=4...(7) Peak 5358 from cnoeabs.peaks (0.82, 6.08, 49.56 ppm; 3.61 A): 2 out of 8 assignments used, quality = 0.96: QG1 VAL 47 + HA ALA 60 OK 84 100 - 84 - 3.2/5981=26, 4.3/4900=19...(17) QG2 VAL 47 + HA ALA 60 OK 74 89 - 84 - 3.2/5981=26, 5972=19...(17) QG2 ILE 35 - HA ALA 60 OK 22 100 - 22 - ~5368=3, 202/4900=3...(10) HG3 LYS 68 - HA ALA 60 OK 14 81 - 17 - 1.8/6046=4, 2.9/2777=2...(6) QD2 LEU 85 - HA ALA 60 OK 11 95 - 11 - 3606/3.0=2, 5369/2.1=2 HD2 LYS 26 - HA ALA 60 poor 10 68 - 14 - 5369/2.1=2, 3.6/2777=2...(6) QD2 LEU 73 - HA ALA 60 lone 8 90 - 9 - 5357/3.0=2, 5369/2.1=2 QD2 LEU 87 - HA ALA 60 lone 6 83 - 7 - 3606/3.0=1 Peak 5359 from cnoeabs.peaks (2.55, 6.08, 49.56 ppm; 5.75 A): 3 out of 3 assignments used, quality = 0.80: HB3 PHE 46 + HA ALA 60 OK 57 100 - 57 - 4.2/5982=30, 6194/3.6=17...(6) HG2 MET 48 + HA ALA 60 OK 47 87 - 54 - 5.1/4900=37...(6) HE3 LYS 26 + HA ALA 60 OK 14 60 - 22 - 4.9/2777=3, ~1720=3...(10) Peak 5360 from cnoeabs.peaks (3.81, 6.08, 49.56 ppm; 4.33 A): 3 out of 4 assignments used, quality = 0.91: HA ALA 67 + HA ALA 60 OK 85 99 - 86 - 5487=49, 2.1/5495=40...(10) HD2 PRO 84 + HA ALA 60 OK 28 99 - 28 - 5353/3.0=8, 5366/2.1=5...(9) HD3 PRO 19 + HA ALA 60 OK 19 90 - 21 - 5353/3.0=5, 5366/2.1=4...(6) HA2 GLY 29 - HA ALA 60 lone 2 76 - 2 - Peak 5361 from cnoeabs.peaks (4.07, 6.08, 49.56 ppm; 5.33 A): 2 out of 4 assignments used, quality = 1.00: HA2 GLY 59 + HA ALA 60 OK 96 96 - 100 - 4.8=100 HA3 GLY 61 + HA ALA 60 OK 94 100 - 94 - 2.9/275=49, ~4013=29...(12) HA3 GLY 54 - HA ALA 60 OK 28 99 - 28 - 5153=9, 2784/3.6=8...(6) HA LYS 14 - HA ALA 60 lone 3 60 - 6 - 790/3.6=3 Peak 5362 from cnoeabs.peaks (4.46, 6.08, 49.56 ppm; 4.96 A): 2 out of 4 assignments used, quality = 0.96: HA3 GLY 59 + HA ALA 60 OK 89 89 - 100 - 4.8=100 HA2 GLY 61 + HA ALA 60 OK 69 76 - 91 - 2.9/275=48, ~4013=25...(12) HB THR 13 - HA ALA 60 OK 29 89 - 32 - 789/3.6=9, ~4286=6...(8) HA LYS 17 - HA ALA 60 OK 17 96 - 17 - 5363/2.1=5, 273/3.0=4...(5) Peak 5363 from cnoeabs.peaks (4.45, 1.31, 23.27 ppm; 4.06 A): 3 out of 3 assignments used, quality = 0.93: HA3 GLY 59 + QB ALA 60 OK 90 99 - 91 - 4.9=57, 273/2.9=37...(11) HA LYS 17 + QB ALA 60 OK 13 100 - 13 - 273/2.9=4, 2771/4.9=2...(5) HB THR 13 + QB ALA 60 OK 12 63 - 19 - 3.0/5364=6, 789/3.6=4...(4) Peak 5364 from cnoeabs.peaks (4.35, 1.31, 23.27 ppm; 4.46 A): 4 out of 6 assignments used, quality = 0.56: HA ARG 45 + QB ALA 60 OK 21 99 - 21 - 5.6/5348=6, 4.7/5367=6...(4) HA THR 13 + QB ALA 60 OK 21 96 - 22 - 4286/2.9=8, 1203/4.9=5...(4) HA ILE 35 + QB ALA 60 OK 18 96 - 18 - 3.0/5368=7, 3.2/5369=3...(6) HA PRO 84 + QB ALA 60 OK 15 81 - 19 - 3.6/5366=5, 4114/2.9=4...(5) HA LYS 44 - QB ALA 60 lone 10 98 - 10 - 2253=1, ~5356=1 HA MET 11 - QB ALA 60 lone 3 63 - 5 - 3.0/5368=2, 3.0/5368=2 Peak 5365 from cnoeabs.peaks (4.06, 1.31, 23.27 ppm; 4.23 A): 2 out of 3 assignments used, quality = 0.99: HA2 GLY 59 + QB ALA 60 OK 95 100 - 95 - 4.9=64, 1.8/5363=32...(15) HA3 GLY 61 + QB ALA 60 OK 86 92 - 94 - 4.9=63, 2.9/4013=32...(14) HA3 GLY 54 - QB ALA 60 OK 20 100 - 20 - 2784/3.6=5, 5153/2.1=4...(6) Peak 5366 from cnoeabs.peaks (3.80, 1.31, 23.27 ppm; 5.39 A): 2 out of 4 assignments used, quality = 0.95: HA ALA 67 + QB ALA 60 OK 93 100 - 93 - 5487/2.1=48, ~5495=40...(12) HD2 PRO 84 + QB ALA 60 OK 38 85 - 45 - 5353/2.9=11, 5360/2.1=9...(11) HD3 PRO 19 - QB ALA 60 OK 30 100 - 30 - 5353/2.9=6, 2.3/5368=6...(7) HA2 GLY 40 - QB ALA 60 lone 1 57 - 2 - Peak 5367 from cnoeabs.peaks (2.95, 1.31, 23.27 ppm; 4.08 A): 3 out of 8 assignments used, quality = 0.58: HB3 HIS 15 + QB ALA 60 OK 28 95 - 29 - ~5354=7, 1.8/5370=7...(9) HD2 ARG 45 + QB ALA 60 OK 24 100 - 24 - 2.9/5348=7, 4.7/5364=4...(8) HD3 ARG 45 + QB ALA 60 OK 24 100 - 24 - 2.9/5348=7, 4.7/5364=4...(8) HE2 LYS 31 - QB ALA 60 lone 9 89 - 10 - ~5355=2, 1993=1, 1.8/2003=1 HE3 LYS 31 - QB ALA 60 lone 8 87 - 9 - ~5355=2, 1993=1, 1.8/2003=1 HE2 LYS 91 - QB ALA 60 lone 4 93 - 4 - HE3 LYS 91 - QB ALA 60 lone 4 93 - 4 - HB2 ASN 24 - QB ALA 60 lone 1 60 - 1 - Peak 5368 from cnoeabs.peaks (1.90, 1.31, 23.27 ppm; 4.62 A): 3 out of 8 assignments used, quality = 0.46: HB3 GLN 58 + QB ALA 60 OK 28 100 - 28 - 4.3/5343=24, 5287/5369=1 HB ILE 35 + QB ALA 60 OK 16 78 - 21 - 3.0/5364=7, 2.1/5369=4...(7) HG3 PRO 19 + QB ALA 60 OK 10 63 - 16 - 2.3/5366=5, ~5360=4, ~5353=3 HG3 PRO 81 - QB ALA 60 lone 7 71 - 9 - 4108/3.6=3, 5913/5350=2 HB2 MET 11 - QB ALA 60 lone 4 100 - 4 - 3.0/5364=1 HB3 MET 11 - QB ALA 60 lone 4 100 - 4 - 3.0/5364=1 HB3 LYS 78 - QB ALA 60 lone 2 71 - 2 - HD2 LYS 78 - QB ALA 60 lone 1 68 - 2 - Peak 5369 from cnoeabs.peaks (0.83, 1.31, 23.27 ppm; 2.66 A): 3 out of 7 assignments used, quality = 0.83: QG2 VAL 47 + QB ALA 60 OK 59 99 - 60 - 4835=16, 3.2/5350=11...(16) QG1 VAL 47 + QB ALA 60 OK 54 95 - 57 - 3.2/5350=11, 2.1/4835=10...(16) QG2 ILE 35 + QB ALA 60 OK 11 97 - 12 - 2.1/5368=2, 3.2/5364=2...(5) HD2 LYS 26 - QB ALA 60 lone 8 92 - 9 - QD2 LEU 73 - QB ALA 60 lone 6 100 - 6 - 5707/5347=1 QD2 LEU 85 - QB ALA 60 lone 6 100 - 6 - 3606/2.9=1 QD2 LEU 87 - QB ALA 60 lone 3 98 - 3 - Peak 5370 from cnoeabs.peaks (3.33, 1.31, 23.27 ppm; 5.79 A): 2 out of 2 assignments used, quality = 0.95: HB3 TYR 70 + QB ALA 60 OK 89 98 - 90 - 5354/2.9=32, ~5355=31...(14) HB2 HIS 15 + QB ALA 60 OK 55 100 - 55 - 5354/2.9=17, 1.8/5367=14...(9) Peak 5377 from cnoeabs.peaks (1.32, 4.49, 45.16 ppm; 4.60 A): 1 out of 8 assignments used, quality = 0.89: QB ALA 60 + HA2 GLY 61 OK 89 92 - 97 - 4.9=81, 4013/2.9=32...(13) HB2 LYS 26 - HA2 GLY 61 poor 10 90 - 11 - 276/2.9=3, 1679/1.8=2, ~1689=1 HG2 LYS 91 - HA2 GLY 61 lone 5 68 - 7 - ~5380=1, 5380/1.8=1 HG3 LYS 91 - HA2 GLY 61 lone 5 68 - 7 - ~5380=1, 5380/1.8=1 HG3 ARG 45 - HA2 GLY 61 lone 3 99 - 4 - 276/2.9=2 HB VAL 50 - HA2 GLY 61 lone 3 100 - 3 - 276/2.9=1 HG3 LYS 31 - HA2 GLY 61 lone 2 71 - 2 - QB ALA 86 - HA2 GLY 61 lone 1 90 - 2 - Peak 5378 from cnoeabs.peaks (1.11, 4.49, 45.16 ppm; 3.74 A): 3 out of 4 assignments used, quality = 0.80: QG1 VAL 66 + HA2 GLY 61 OK 58 100 - 58 - 5379/1.8=15, 5372/2.9=11...(13) QG2 THR 13 + HA2 GLY 61 OK 43 96 - 45 - 5379/1.8=11, 1211=7...(11) HG3 LYS 14 + HA2 GLY 61 OK 16 90 - 17 - 4.9/4014=4, 5379/1.8=4...(4) HG12 ILE 35 - HA2 GLY 61 lone 3 63 - 4 - 5372/2.9=2 Peak 5379 from cnoeabs.peaks (1.11, 4.08, 45.16 ppm; 3.66 A): 4 out of 6 assignments used, quality = 0.82: QG1 VAL 66 + HA3 GLY 61 OK 55 99 - 56 - 5378/1.8=17, 2.1/5462=10...(12) QG2 THR 13 + HA3 GLY 61 OK 39 99 - 39 - 5378/1.8=13, 2.1/2785=7...(8) QG1 VAL 66 + HA3 GLY 54 OK 21 95 - 21 - 2.1/5462=4, 2.1/6095=3...(8) HG3 LYS 14 + HA3 GLY 61 OK 16 97 - 16 - 5378/1.8=5, 4.9/4015=3...(4) QG2 THR 13 - HA3 GLY 54 lone 6 95 - 6 - HG3 LYS 14 - HA3 GLY 54 lone 2 92 - 2 - Peak 5380 from cnoeabs.peaks (1.35, 4.08, 45.16 ppm; 4.50 A): 2 out of 22 assignments used, quality = 0.62: QB ALA 67 + HA3 GLY 61 OK 57 73 - 78 - 5492/2.9=21, ~5498=16...(13) QB ALA 67 + HA3 GLY 54 OK 10 68 - 15 - 2.9/5516=4, ~311=2...(5) HG2 LYS 68 - HA3 GLY 61 poor 10 81 - 12 - 5371/2.9=2, ~276=1, 3056/4.9=1 HG2 LYS 91 - HA3 GLY 61 lone 7 100 - 7 - ~5377=1 HG3 LYS 91 - HA3 GLY 61 lone 7 100 - 7 - ~5377=1 HG2 LYS 44 - HA3 GLY 61 lone 6 76 - 8 - 5371/2.9=1 HB2 LYS 64 - HA3 GLY 61 lone 6 92 - 7 - 5371/2.9=2 HG3 LYS 91 - HA3 GLY 54 lone 4 97 - 4 - HG2 LYS 91 - HA3 GLY 54 lone 4 97 - 4 - HB3 LEU 12 - HA3 GLY 54 lone 3 55 - 6 - ~4268=1, ~4272=1 HG2 LYS 68 - HA3 GLY 54 lone 3 75 - 4 - HG2 LYS 44 - HA3 GLY 54 lone 3 71 - 5 - HB3 LEU 12 - HA3 GLY 61 lone 3 60 - 5 - HB VAL 50 - HA3 GLY 61 lone 3 78 - 3 - HB2 LYS 64 - HA3 GLY 54 lone 2 87 - 3 - QB ALA 89 - HA3 GLY 61 lone 2 98 - 2 - QB ALA 89 - HA3 GLY 54 lone 2 94 - 2 - HG3 ARG 45 - HA3 GLY 61 lone 2 60 - 3 - QB ALA 86 - HA3 GLY 61 lone 2 99 - 2 - QB ALA 86 - HA3 GLY 54 lone 1 96 - 1 - HB VAL 50 - HA3 GLY 54 lone 1 73 - 2 - HG3 ARG 45 - HA3 GLY 54 lone 1 55 - 1 - Peak 5384 from cnoeabs.peaks (7.52, 4.49, 45.16 ppm; 4.60 A): 3 out of 3 assignments used, quality = 0.80: H ASN 63 + HA2 GLY 61 OK 65 100 - 65 - 5396=25, 280/3.6=23...(10) H ALA 69 + HA2 GLY 61 OK 33 100 - 33 - 5386/1.8=9, 994/3.6=6...(9) HE22 GLN 55 + HA2 GLY 61 OK 16 92 - 17 - 5386/1.8=4, ~5387=3...(5) Peak 5385 from cnoeabs.peaks (7.36, 4.49, 45.16 ppm; 5.26 A): 2 out of 4 assignments used, quality = 0.49: QD TYR 70 + HA2 GLY 61 OK 33 68 - 49 - 4692/1.8=10, ~5596=10...(11) H ALA 75 + HA2 GLY 61 OK 24 100 - 24 - 1007/2.9=8, 4.6/2781=4...(6) QE PHE 46 - HA2 GLY 61 lone 9 95 - 10 - ~5151=3, 5485/5498=2, 5347/4.9=1 H GLU 25 - HA2 GLY 61 lone 3 99 - 3 - Peak 5386 from cnoeabs.peaks (7.52, 4.08, 45.16 ppm; 4.53 A): 6 out of 6 assignments used, quality = 0.91: H ASN 63 + HA3 GLY 61 OK 61 100 - 61 - 5396/1.8=24, 280/3.6=22...(9) H ALA 69 + HA3 GLY 61 OK 39 100 - 39 - 5384/1.8=11, 1054/5516=7...(13) HE22 GLN 55 + HA3 GLY 54 OK 28 87 - 33 - 490/3.6=26, 1.7/5387=6 HE22 GLN 55 + HA3 GLY 61 OK 20 92 - 21 - 5384/1.8=5, 1.7/5387=4...(7) H ALA 69 + HA3 GLY 54 OK 19 97 - 19 - 757/3.6=4, 4.6/5592=4...(5) H ASN 63 + HA3 GLY 54 OK 16 97 - 16 - 4.6/279=3, 757/3.6=3...(7) Peak 5387 from cnoeabs.peaks (6.78, 4.08, 45.16 ppm; 5.35 A): 5 out of 6 assignments used, quality = 0.79: QE TYR 70 + HA3 GLY 61 OK 42 76 - 55 - ~5385=15, 2.2/5151=15...(11) HE21 GLN 55 + HA3 GLY 54 OK 28 82 - 35 - 482/3.6=26, 1.7/5386=7 QE TYR 70 + HA3 GLY 54 OK 21 71 - 30 - 2.2/5151=10, 4.4/5593=5...(7) HD22 ASN 63 + HA3 GLY 61 OK 21 93 - 22 - 5.5/5386=9, 5401/5462=7...(4) HE21 GLN 55 + HA3 GLY 61 OK 20 87 - 23 - ~5384=5, 1.7/5386=5...(6) HD22 ASN 63 - HA3 GLY 54 lone 8 88 - 9 - 5401/5462=2, 5.5/5386=2 Peak 5389 from cnoeabs.peaks (1.10, 3.99, 63.26 ppm; 5.74 A): 3 out of 4 assignments used, quality = 0.72: QG2 THR 13 + HB3 SER 62 OK 35 100 - 35 - 4.1/2795=11, 5388/3.9=9...(5) HG3 LYS 14 + HB3 SER 62 OK 35 100 - 35 - 4.9/2795=9, 5388/3.9=5...(11) QG1 VAL 66 + HB3 SER 62 OK 33 87 - 38 - 5394/4.3=21, 5388/3.9=13, 4277=4 QG2 THR 38 - HB3 SER 62 lone 4 85 - 5 - Peak 5390 from cnoeabs.peaks (1.53, 4.12, 63.26 ppm; 5.97 A): 0 out of 15 assignments used, low quality = 0.38: HB3 LYS 26 - HB2 SER 62 OK 26 97 - 27 - 1689=4, 1.8/1679=3...(12) QB ALA 71 - HB2 SER 62 OK 16 98 - 16 - 5634/4.3=7, ~2790=2...(5) HB3 LYS 44 - HB2 SER 62 lone 7 96 - 7 - 6081/3.0=2, 4.0/4794=2 HG LEU 34 - HB2 SER 62 lone 6 93 - 6 - 4694/4.3=2 HG3 ARG 27 - HB2 SER 62 lone 5 97 - 5 - 4.9/97=2 HG LEU 30 - HB2 SER 62 lone 4 97 - 4 - HB3 LEU 87 - HB2 SER 62 lone 3 100 - 3 - HD2 LYS 56 - HB2 SER 62 lone 3 100 - 3 - HD3 LYS 64 - HB2 SER 62 lone 3 100 - 3 - HB2 LEU 85 - HB2 SER 62 lone 3 90 - 3 - HD3 LYS 17 - HB2 SER 62 lone 3 83 - 3 - HD2 LYS 17 - HB2 SER 62 lone 3 83 - 3 - HB2 ARG 45 - HB2 SER 62 lone 2 83 - 3 - HB2 LYS 56 - HB2 SER 62 lone 2 63 - 3 - HG2 GLU 37 - HB2 SER 62 lone 2 65 - 3 - Peak 5397 from cnoeabs.peaks (1.03, 2.91, 40.65 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.80: QG2 VAL 66 + HB2 ASN 63 OK 80 95 - 85 - 5470/3.5=36, 5399/3.5=29...(12) Peak 5406 from cnoeabs.peaks (7.03, 4.62, 51.74 ppm; 3.89 A): 2 out of 4 assignments used, quality = 0.64: QD PHE 46 + HA ASN 63 OK 55 97 - 57 - 5403/2.9=20, 2.2/5407=16...(7) QE PHE 80 + HA ASN 63 OK 21 100 - 21 - 5403/2.9=8, 4718/3.0=3...(7) HD2 HIS 10 - HA ASN 63 lone 1 78 - 2 - HE ARG 45 - HA ASN 63 lone 1 76 - 1 - Peak 5407 from cnoeabs.peaks (7.34, 4.62, 51.74 ppm; 3.73 A): 3 out of 5 assignments used, quality = 0.79: QE PHE 46 + HA ASN 63 OK 57 100 - 58 - 2.2/5406=22, 4631=13...(9) HZ PHE 46 + HA ASN 63 OK 38 83 - 46 - 3.8/5406=15, 2.2/4631=11...(8) H GLU 25 + HA ASN 63 OK 20 73 - 28 - 4.6/2801=5, 86/3.0=5...(7) QD TYR 70 - HA ASN 63 lone 9 97 - 9 - 5414/3.6=3, 5408/3.0=3 H ALA 75 - HA ASN 63 lone 4 83 - 5 - 1087/3.6=1 Peak 5408 from cnoeabs.peaks (7.33, 2.91, 40.65 ppm; 5.10 A): 4 out of 5 assignments used, quality = 0.92: QE PHE 46 + HB2 ASN 63 OK 71 99 - 72 - ~5406=20, 5407/3.0=20...(10) HZ PHE 46 + HB2 ASN 63 OK 51 92 - 55 - 4632/3.0=14, ~5407=13...(7) H GLU 25 + HB2 ASN 63 OK 28 60 - 48 - 3.6/2806=12, 4.6/2808=10...(7) QD TYR 70 + HB2 ASN 63 OK 27 100 - 27 - 4697/5397=13, 5414/4.4=5...(5) H ALA 75 - HB2 ASN 63 lone 7 71 - 10 - 1087/4.4=2, 5407/3.0=1 Peak 5409 from cnoeabs.peaks (7.33, 2.86, 40.65 ppm; 5.04 A): 4 out of 5 assignments used, quality = 0.91: QE PHE 46 + HB3 ASN 63 OK 69 99 - 70 - ~5406=20, 5407/3.0=19...(10) HZ PHE 46 + HB3 ASN 63 OK 49 92 - 54 - 4632/3.0=14, ~5407=13...(6) H GLU 25 + HB3 ASN 63 OK 26 60 - 45 - 3.6/2812=11, 4.6/2813=10...(7) QD TYR 70 + HB3 ASN 63 OK 22 100 - 22 - 5408/1.8=6, 4697/6093=6...(4) H ALA 75 - HB3 ASN 63 lone 6 71 - 8 - 1087/4.4=2, 5408/1.8=1 Peak 5410 from cnoeabs.peaks (7.86, 2.86, 40.65 ppm; 4.63 A): 4 out of 4 assignments used, quality = 0.89: HD21 ASN 24 + HB3 ASN 63 OK 64 92 - 70 - 5411/1.8=14, 3.5/2813=12...(16) H LYS 65 + HB3 ASN 63 OK 51 97 - 52 - 4.6/4021=15, 5411/1.8=12...(11) H LEU 12 + HB3 ASN 63 OK 24 100 - 24 - 5411/1.8=6, 996/4.4=6...(6) H PHE 80 + HB3 ASN 63 OK 17 99 - 17 - 5411/1.8=5, 996/4.4=3...(4) Peak 5411 from cnoeabs.peaks (7.85, 2.91, 40.65 ppm; 4.78 A): 4 out of 4 assignments used, quality = 0.90: HD21 ASN 24 + HB2 ASN 63 OK 61 83 - 74 - 5410/1.8=17, 1.7/454=13...(17) H LYS 65 + HB2 ASN 63 OK 55 100 - 55 - 290/4.4=16, 5410/1.8=13...(10) H LEU 12 + HB2 ASN 63 OK 25 99 - 25 - 5410/1.8=6, 996/4.4=6...(6) H PHE 80 + HB2 ASN 63 OK 23 95 - 25 - 5410/1.8=4, 900=4...(8) Peak 5415 from cnoeabs.peaks (7.02, 3.28, 60.43 ppm; 4.93 A): 3 out of 4 assignments used, quality = 0.94: QD PHE 46 + HA LYS 64 OK 86 99 - 86 - 2.4/6082=31, 2.4/6083=23...(19) QE PHE 80 + HA LYS 64 OK 51 99 - 52 - 4727/4.1=12, 5441/4.1=8...(16) HD2 HIS 10 + HA LYS 64 OK 12 89 - 13 - 5441/4.1=2, 5443/4.1=2...(4) HE ARG 45 - HA LYS 64 poor 10 63 - 16 - 5.0/2838=5, 5.0/2824=3...(6) Peak 5417 from cnoeabs.peaks (4.63, 3.28, 60.43 ppm; 5.51 A): 8 out of 10 assignments used, quality = 0.93: HA ASN 63 + HA LYS 64 OK 53 99 - 54 - ~4021=15, ~286=14...(9) HA LEU 12 + HA LYS 64 OK 49 81 - 61 - 3.0/4022=10, 1159/3.6=7...(20) HA GLU 33 + HA LYS 64 OK 26 100 - 26 - 4891/4885=8, 5452/3.6=4...(8) HA ASN 24 + HA LYS 64 OK 25 100 - 26 - 285/3.0=7, ~286=5...(5) HA ASP 43 + HA LYS 64 OK 17 76 - 22 - 3.0/4173=10, 2234/1051=3...(6) HA HIS 42 + HA LYS 64 OK 15 100 - 15 - 3.6/4173=9, 4891/4885=1...(4) HA ARG 27 + HA LYS 64 OK 15 97 - 15 - 5452/3.6=2, 285/3.0=2...(5) HA THR 38 + HA LYS 64 OK 11 90 - 12 - 3.2/5423=2, 5452/3.6=1...(5) HA ASP 82 - HA LYS 64 lone 9 97 - 9 - 5452/3.6=1, 285/3.0=1 HA PHE 57 - HA LYS 64 lone 6 73 - 9 - 4891/4885=2, 5452/3.6=1, ~250=1 Peak 5422 from cnoeabs.peaks (1.22, 3.28, 60.43 ppm; 4.70 A): 3 out of 9 assignments used, quality = 0.94: QD1 LEU 34 + HA LYS 64 OK 78 99 - 79 - 4675=31, 4677/4.1=12...(25) HD2 LYS 68 + HA LYS 64 OK 47 100 - 47 - 5.8/1051=19, 3.0/2819=5...(17) HD3 LYS 68 + HA LYS 64 OK 47 100 - 47 - 5.8/1051=19, 3.0/2819=5...(17) HG2 LYS 17 - HA LYS 64 OK 27 90 - 30 - 4675=9, 4677/4.1=3...(7) HG3 LYS 26 - HA LYS 64 OK 15 89 - 16 - 5434/4.1=2, 4866/4885=2...(7) HG13 ILE 35 - HA LYS 64 OK 10 99 - 10 - 4866/4885=2, 4856/4879=1...(4) HB2 LEU 79 - HA LYS 64 poor 8 60 - 14 - 4097/3.6=3, 4.6/4022=3 QG2 THR 83 - HA LYS 64 lone 6 97 - 6 - ~5942=1 HG2 LYS 14 - HA LYS 64 lone 4 81 - 5 - Peak 5423 from cnoeabs.peaks (1.06, 3.28, 60.43 ppm; 5.65 A): 3 out of 4 assignments used, quality = 0.96: QD2 LEU 34 + HA LYS 64 OK 81 100 - 81 - 2.1/4675=35...(24) QG2 VAL 66 + HA LYS 64 OK 59 73 - 81 - 4.3/4170=40, 4.0/1041=28...(17) HG2 LYS 56 + HA LYS 64 OK 49 100 - 50 - 5453/3.6=10, 4867/4885=5...(24) QG2 THR 38 - HA LYS 64 OK 12 93 - 13 - 3.2/5417=2, 5453/3.6=2...(5) Peak 5425 from cnoeabs.peaks (1.93, 3.28, 60.43 ppm; 4.18 A): 2 out of 10 assignments used, quality = 0.96: QE MET 48 + HA LYS 64 OK 91 100 - 91 - 4885=50, 4870/4.1=25...(20) HB2 LEU 76 + HA LYS 64 OK 54 85 - 64 - 3.1/2822=11, 1.8/2823=7...(29) HD2 LYS 78 - HA LYS 64 OK 22 99 - 22 - 5431/3.0=3, 5438/5.0=3...(8) HB VAL 20 - HA LYS 64 OK 22 97 - 22 - 2.1/2822=3, 5430/3.0=2...(12) HG3 GLU 49 - HA LYS 64 OK 18 100 - 18 - 4980/3.0=2, 5431/3.0=2...(10) HB2 GLU 33 - HA LYS 64 OK 17 90 - 19 - 3.0/5417=2, 5430/3.0=2...(8) HB VAL 47 - HA LYS 64 OK 14 100 - 14 - 2436/4879=2, 2443/5426=2...(6) HB3 GLU 22 - HA LYS 64 OK 13 90 - 14 - 6191/4.1=2, 5430/3.0=2...(6) HG3 PRO 84 - HA LYS 64 lone 6 78 - 7 - HG3 PRO 81 - HA LYS 64 lone 5 99 - 5 - Peak 5426 from cnoeabs.peaks (2.34, 3.28, 60.43 ppm; 5.04 A): 1 out of 2 assignments used, quality = 0.95: HG3 MET 48 + HA LYS 64 OK 95 100 - 95 - 4881=42, 1.8/4879=41...(20) HG2 MET 11 - HA LYS 64 lone 4 65 - 6 - 3794/3.6=2 Peak 5427 from cnoeabs.peaks (2.55, 3.28, 60.43 ppm; 3.91 A): 2 out of 3 assignments used, quality = 0.83: HB3 PHE 46 + HA LYS 64 OK 61 100 - 61 - 6082=18, 1.8/6083=12...(12) HG2 MET 48 + HA LYS 64 OK 58 76 - 76 - 3.3/4885=27, 1.8/5426=22...(20) HB2 ASP 43 - HA LYS 64 poor 7 65 - 10 - 4.0/4173=4, 3.0/5417=1 Peak 5428 from cnoeabs.peaks (3.76, 3.28, 60.43 ppm; 5.93 A): 3 out of 4 assignments used, quality = 0.71: HA LYS 65 + HA LYS 64 OK 54 63 - 86 - 3.6/1041=33, ~996=16...(22) HB2 SER 36 + HA LYS 64 OK 29 97 - 30 - 4887/4885=7, 812/3.6=3...(10) HD3 PRO 19 + HA LYS 64 OK 10 65 - 16 - 827/4170=2, 4358/4172=2...(4) HA2 GLY 40 - HA LYS 64 lone 5 100 - 5 - Peak 5430 from cnoeabs.peaks (1.93, 1.36, 32.26 ppm; 4.52 A): 2 out of 13 assignments used, quality = 0.99: QE MET 48 + HB2 LYS 64 OK 95 100 - 95 - 4870/3.0=37, 4885/3.0=37...(25) HB2 LEU 76 + HB2 LYS 64 OK 73 95 - 77 - 3.1/2832=11, 3228/3.0=9...(27) HD2 LYS 78 - HB2 LYS 64 OK 29 96 - 30 - 5431/1.8=4, 5438/3.8=4...(11) HG3 GLU 49 - HB2 LYS 64 OK 26 99 - 26 - 4980=4, 5425/3.0=2...(10) HB VAL 20 - HB2 LYS 64 OK 26 100 - 26 - 2.1/2832=4, 5425/3.0=3...(10) HB3 GLU 22 - HB2 LYS 64 OK 24 97 - 25 - ~4462=3, ~4465=3...(9) HB2 GLU 33 - HB2 LYS 64 OK 22 97 - 22 - 5425/3.0=2, 5431/1.8=2...(10) HB VAL 47 - HB2 LYS 64 OK 17 100 - 17 - 4.0/4824=3, 4.4/4844=3...(7) HB2 GLN 58 - HB2 LYS 64 poor 8 63 - 12 - 4.3/5316=2, ~5288=2...(5) HG3 PRO 84 - HB2 LYS 64 lone 8 90 - 9 - HG3 PRO 81 - HB2 LYS 64 lone 7 95 - 7 - HG2 PRO 19 - HB2 LYS 64 lone 6 65 - 9 - ~5428=2, 1.8/4377=1 HB2 GLU 77 - HB2 LYS 64 lone 4 68 - 7 - 4.0/2827=2 Peak 5431 from cnoeabs.peaks (1.92, 1.44, 32.26 ppm; 4.26 A): 2 out of 22 assignments used, quality = 0.95: QE MET 48 + HB3 LYS 64 OK 90 98 - 91 - 4870/3.0=33, 4885/3.0=33...(19) HB2 LEU 76 + HB3 LYS 64 OK 54 73 - 74 - 3.1/2842=8, 5430/1.8=7...(29) HD2 LYS 78 - HB3 LYS 64 OK 33 100 - 33 - 5438/3.8=3, 3342=3...(12) HB VAL 20 - HB3 LYS 64 OK 21 90 - 23 - 2.1/2842=3, 5425/3.0=3...(11) HG3 GLU 49 - HB3 LYS 64 OK 18 100 - 18 - 4980/1.8=3, 5439/3.8=2...(8) HB3 GLU 22 - HB3 LYS 64 OK 17 81 - 21 - ~4462=3, ~4465=3...(9) HB2 GLU 33 - HB3 LYS 64 OK 16 81 - 19 - 3.0/4650=2, 5430/1.8=2...(11) HB VAL 47 - HB3 LYS 64 lone 9 98 - 10 - 5425/3.0=2, 5430/1.8=2...(4) HB VAL 47 - HB3 ARG 45 poor 8 58 - 14 - ~4840=6, ~6167=3...(4) QE MET 48 - HB3 ARG 45 poor 6 58 - 11 - 4870/2841=3, 4885/2838=2, 4864=1 HG3 PRO 81 - HB3 LYS 64 lone 6 100 - 6 - HB2 MET 11 - HB3 LYS 64 lone 5 63 - 8 - 4.2/4024=5 HG3 GLU 49 - HB3 ARG 45 lone 5 60 - 8 - ~4968=2, ~4986=2 HD2 LYS 78 - HB3 ARG 45 lone 5 62 - 7 - HG3 PRO 84 - HB3 LYS 64 lone 4 65 - 6 - HB2 LEU 76 - HB3 ARG 45 lone 4 38 - 9 - HG3 PRO 84 - HB3 ARG 45 lone 3 33 - 8 - ~3557=1, ~3550=1...(4) HB VAL 20 - HB3 ARG 45 lone 2 50 - 3 - HB3 GLU 22 - HB3 ARG 45 lone 1 43 - 3 - HB2 GLU 33 - HB3 ARG 45 lone 1 43 - 3 - HG3 PRO 81 - HB3 ARG 45 lone 1 61 - 2 - HB2 MET 11 - HB3 ARG 45 lone 1 32 - 2 - Peak 5432 from cnoeabs.peaks (2.55, 0.58, 26.14 ppm; 5.52 A): 2 out of 3 assignments used, quality = 0.98: HB3 PHE 46 + HG2 LYS 64 OK 91 100 - 91 - 2.4/4734=31, 6082/4.1=30...(17) HG2 MET 48 + HG2 LYS 64 OK 80 87 - 93 - 3.3/4870=45, 4879/4.1=29...(25) HE3 LYS 26 - HG2 LYS 64 poor 7 60 - 11 - 3.9/5434=3, 2448/4870=1 Peak 5433 from cnoeabs.peaks (1.93, 0.58, 26.14 ppm; 4.85 A): 2 out of 10 assignments used, quality = 0.98: QE MET 48 + HG2 LYS 64 OK 94 100 - 94 - 4870=50, 4885/4.1=33...(20) HB2 LEU 76 + HG2 LYS 64 OK 72 85 - 85 - 3.1/2852=13, 3228/1.8=10...(29) HD2 LYS 78 - HG2 LYS 64 OK 33 99 - 33 - 5438/2.9=5, 5439/2.9=4...(13) HB VAL 20 - HG2 LYS 64 OK 29 97 - 30 - 6191/1.8=3, 5438/2.9=3...(13) HB3 GLU 22 - HG2 LYS 64 OK 29 90 - 32 - ~4462=5, ~4465=5...(13) HG3 GLU 49 - HG2 LYS 64 OK 24 100 - 24 - 4980/3.0=3, 5439/2.9=3...(9) HB2 GLU 33 - HG2 LYS 64 OK 17 90 - 19 - 5430/3.0=2, 6191/1.8=2...(9) HB VAL 47 - HG2 LYS 64 OK 13 100 - 13 - 5430/3.0=2, 5439/2.9=2...(6) HG3 PRO 81 - HG2 LYS 64 lone 7 99 - 7 - HG3 PRO 84 - HG2 LYS 64 lone 6 78 - 8 - Peak 5434 from cnoeabs.peaks (1.22, 0.58, 26.14 ppm; 5.02 A): 3 out of 8 assignments used, quality = 0.93: QD1 LEU 34 + HG2 LYS 64 OK 79 100 - 79 - 4675/4.1=21, 4677/1.8=20...(28) HD2 LYS 68 + HG2 LYS 64 OK 41 98 - 42 - 5422/4.1=6, 4866/4870=5...(24) HD3 LYS 68 + HG2 LYS 64 OK 41 97 - 42 - 5422/4.1=6, 4866/4870=5...(24) HG2 LYS 17 - HG2 LYS 64 OK 22 78 - 28 - 4675/4.1=6, 4677/1.8=5...(10) HG3 LYS 26 - HG2 LYS 64 OK 19 97 - 19 - 4866/4870=2, 5422/4.1=2...(8) HG13 ILE 35 - HG2 LYS 64 lone 8 95 - 8 - 4866/4870=2, 5422/4.1=1 HG2 LYS 14 - HG2 LYS 64 lone 5 92 - 5 - QG2 THR 83 - HG2 LYS 64 lone 4 100 - 4 - Peak 5437 from cnoeabs.peaks (2.56, 0.70, 26.14 ppm; 5.27 A): 2 out of 4 assignments used, quality = 0.94: HB3 PHE 46 + HG3 LYS 64 OK 84 95 - 89 - 6082/4.1=26, ~4734=24...(15) HB2 PHE 46 + HG3 LYS 64 OK 64 73 - 87 - ~4734=24, 2.4/5443=23...(15) HB2 ASP 43 - HG3 LYS 64 lone 6 90 - 6 - 5427/4.1=2 HB3 ASP 88 - HG3 LYS 64 lone 2 78 - 2 - Peak 5438 from cnoeabs.peaks (1.93, 1.46, 29.20 ppm; 4.10 A): 3 out of 10 assignments used, quality = 0.96: QE MET 48 + HD2 LYS 64 OK 84 100 - 84 - 4870/2.9=32, 4885/5.0=19...(16) HB2 LEU 76 + HD2 LYS 64 OK 65 85 - 76 - 3.1/2872=10, 5439/1.8=8...(33) HD2 LYS 78 + HD2 LYS 64 OK 34 99 - 34 - 3342=5, 5439/1.8=4...(15) HB3 GLU 22 - HD2 LYS 64 OK 22 90 - 24 - 5439/1.8=3, ~4462=3...(11) HB VAL 20 - HD2 LYS 64 OK 20 97 - 21 - 2.1/2872=3, 5439/1.8=3...(10) HG3 GLU 49 - HD2 LYS 64 OK 16 100 - 16 - 5439/1.8=3, 4980/3.8=2...(7) HB2 GLU 33 - HD2 LYS 64 OK 11 90 - 13 - 5439/1.8=2, 5430/3.8=1...(7) HB VAL 47 - HD2 LYS 64 lone 8 100 - 8 - 5439/1.8=2, 5430/3.8=1 HG3 PRO 81 - HD2 LYS 64 lone 6 99 - 6 - HG3 PRO 84 - HD2 LYS 64 lone 4 78 - 5 - Peak 5439 from cnoeabs.peaks (1.92, 1.52, 29.20 ppm; 4.02 A): 3 out of 11 assignments used, quality = 0.93: QE MET 48 + HD3 LYS 64 OK 81 98 - 82 - 4870/2.9=31, 4885/5.0=18...(16) HB2 LEU 76 + HD3 LYS 64 OK 50 73 - 69 - 3.1/2882=10, 5438/1.8=9...(28) HD2 LYS 78 + HD3 LYS 64 OK 25 100 - 25 - 5438/1.8=5, 5431/3.8=3...(9) HG3 GLU 49 - HD3 LYS 64 OK 20 100 - 20 - 5438/1.8=2, 4980/3.8=2...(11) HB3 GLU 22 - HD3 LYS 64 OK 18 81 - 22 - 5438/1.8=3, ~4462=3...(10) HB VAL 20 - HD3 LYS 64 OK 18 90 - 20 - 2.1/2882=3, 5438/1.8=3...(9) HB VAL 47 - HD3 LYS 64 OK 11 98 - 11 - 4.4/4843=1, 5438/1.8=1 HB2 GLU 33 - HD3 LYS 64 OK 11 81 - 13 - 5438/1.8=2, 5430/3.8=1...(7) HG3 PRO 81 - HD3 LYS 64 lone 5 100 - 5 - HG3 PRO 84 - HD3 LYS 64 lone 3 65 - 5 - HB2 MET 11 - HD3 LYS 64 lone 1 63 - 2 - Peak 5440 from cnoeabs.peaks (7.32, 0.58, 26.14 ppm; 5.82 A): 2 out of 3 assignments used, quality = 0.97: HZ PHE 46 + HG2 LYS 64 OK 85 100 - 85 - 3.8/4734=29, 5442/1.8=22...(15) QE PHE 46 + HG2 LYS 64 OK 80 85 - 94 - 2.2/4734=36, ~5442=26...(19) QD TYR 70 - HG2 LYS 64 OK 40 99 - 41 - 5414/4.8=7, 5442/1.8=6...(14) Peak 5441 from cnoeabs.peaks (7.02, 0.58, 26.14 ppm; 5.51 A): 2 out of 3 assignments used, quality = 0.98: QD PHE 46 + HG2 LYS 64 OK 95 100 - 95 - 4734=36, 4735/1.8=26...(23) QE PHE 80 + HG2 LYS 64 OK 63 95 - 67 - 5443/1.8=17, 5447/2.9=11...(20) HD2 HIS 10 - HG2 LYS 64 OK 18 97 - 18 - 5443/1.8=4, 5445/2.9=4...(6) Peak 5442 from cnoeabs.peaks (7.30, 0.70, 26.14 ppm; 5.44 A): 2 out of 2 assignments used, quality = 0.75: HZ PHE 46 + HG3 LYS 64 OK 69 89 - 78 - 3.8/5443=20, 5.8/5437=12...(15) QD TYR 70 + HG3 LYS 64 OK 20 65 - 30 - 5414/4.8=5, 4.5/5645=5...(11) Peak 5443 from cnoeabs.peaks (7.02, 0.70, 26.14 ppm; 4.72 A): 2 out of 3 assignments used, quality = 0.96: QD PHE 46 + HG3 LYS 64 OK 91 100 - 91 - 4735=25, 4734/1.8=24...(22) QE PHE 80 + HG3 LYS 64 OK 60 95 - 63 - 4727=16, 5441/1.8=11...(21) HD2 HIS 10 - HG3 LYS 64 OK 13 97 - 13 - 5441/1.8=3, 5445/2.9=3...(4) Peak 5444 from cnoeabs.peaks (7.33, 1.46, 29.20 ppm; 5.05 A): 2 out of 5 assignments used, quality = 0.96: QE PHE 46 + HD2 LYS 64 OK 88 99 - 89 - ~4734=19, ~5442=17...(22) HZ PHE 46 + HD2 LYS 64 OK 64 92 - 69 - 3.8/5445=12, 4640/3.0=12...(12) QD TYR 70 - HD2 LYS 64 OK 28 100 - 28 - 5446/1.8=5, 5440/2.9=5...(9) H ALA 75 - HD2 LYS 64 OK 26 71 - 36 - 5748/2.9=5, 5446/1.8=5...(13) H GLU 25 - HD2 LYS 64 lone 4 60 - 7 - Peak 5445 from cnoeabs.peaks (7.01, 1.46, 29.20 ppm; 6.03 A): 2 out of 3 assignments used, quality = 0.98: QD PHE 46 + HD2 LYS 64 OK 94 100 - 94 - 4734/2.9=37, 4735/2.9=26...(19) QE PHE 80 + HD2 LYS 64 OK 60 87 - 69 - 5443/2.9=17, 5441/2.9=14...(17) HD2 HIS 10 - HD2 LYS 64 OK 20 99 - 20 - 5441/2.9=4, 5443/2.9=4...(6) Peak 5446 from cnoeabs.peaks (7.34, 1.52, 29.20 ppm; 5.46 A): 2 out of 5 assignments used, quality = 0.98: QE PHE 46 + HD3 LYS 64 OK 94 100 - 94 - ~4734=23, ~5442=19...(22) HZ PHE 46 + HD3 LYS 64 OK 63 83 - 76 - ~5444=14, 5444/1.8=14...(14) QD TYR 70 - HD3 LYS 64 OK 35 97 - 36 - 5444/1.8=6, 5440/2.9=5...(12) H ALA 75 - HD3 LYS 64 OK 33 83 - 40 - 5748/2.9=7, 5444/1.8=6...(15) H GLU 25 - HD3 LYS 64 lone 6 73 - 9 - Peak 5447 from cnoeabs.peaks (7.02, 1.52, 29.20 ppm; 6.03 A): 2 out of 4 assignments used, quality = 0.98: QD PHE 46 + HD3 LYS 64 OK 94 99 - 95 - 4734/2.9=36, 4735/2.9=25...(21) QE PHE 80 + HD3 LYS 64 OK 71 99 - 72 - 4727/2.9=17, 5441/2.9=14...(17) HE ARG 45 - HD3 LYS 64 OK 21 63 - 34 - 4.0/2337=9, 4.0/2344=5...(10) HD2 HIS 10 - HD3 LYS 64 OK 19 89 - 20 - 5445/1.8=5, 5441/2.9=4...(6) Peak 5448 from cnoeabs.peaks (7.34, 2.74, 41.78 ppm; 3.72 A): 5 out of 15 assignments used, quality = 0.94: QE PHE 46 + HE3 LYS 64 OK 58 100 - 58 - 2.2/4640=8, 4740/1.8=7...(19) QE PHE 46 + HE2 LYS 64 OK 57 100 - 57 - 2.2/4640=8, 4740/1.8=7...(19) QE PHE 46 + HE3 LYS 44 OK 32 60 - 53 - 4638/3.5=8, 4799/3.0=7...(14) HZ PHE 46 + HE3 LYS 64 OK 30 68 - 44 - 4640=6, 4640/1.8=6...(12) HZ PHE 46 + HE2 LYS 64 OK 29 68 - 43 - 4640=6, 4640/1.8=6...(12) HZ PHE 46 - HE3 LYS 44 OK 15 34 - 44 - 4645/3.5=7, 4799/3.0=7...(10) H ALA 75 - HE3 LYS 64 OK 11 93 - 12 - 5748/3.8=3, 5446/3.0=2 H ALA 75 - HE2 LYS 64 OK 11 93 - 12 - 5748/3.8=3, 5446/3.0=2 QD TYR 70 - HE3 LYS 64 OK 11 90 - 12 - 5446/3.0=2, 5444/3.0=2...(6) QD TYR 70 - HE2 LYS 64 OK 10 90 - 11 - 5446/3.0=2, 5444/3.0=2...(6) QD TYR 70 - HE3 LYS 44 poor 8 49 - 15 - 4797/3.5=3, 4799/3.0=3...(5) H GLU 25 - HE3 LYS 64 lone 2 87 - 2 - H GLU 25 - HE2 LYS 64 lone 2 87 - 2 - H ALA 75 - HE3 LYS 44 lone 1 51 - 2 - H GLU 25 - HE3 LYS 44 lone 1 46 - 2 - Peak 5449 from cnoeabs.peaks (7.02, 2.74, 41.78 ppm; 4.51 A): 4 out of 12 assignments used, quality = 0.97: QD PHE 46 + HE3 LYS 64 OK 71 99 - 72 - 4734/3.8=18, 5443/3.8=14...(15) QD PHE 46 + HE2 LYS 64 OK 71 99 - 72 - 4734/3.8=18, 5443/3.8=14...(15) QE PHE 80 + HE3 LYS 64 OK 42 99 - 42 - 4727/3.8=11, 5441/3.8=7...(12) QE PHE 80 + HE2 LYS 64 OK 42 99 - 42 - 4727/3.8=11, 5441/3.8=7...(12) QD PHE 46 - HE3 LYS 44 OK 25 58 - 43 - 2.2/4740=10, ~4799=8...(8) HD2 HIS 10 - HE3 LYS 64 poor 10 89 - 11 - 5443/3.8=2, 5441/3.8=2...(5) HD2 HIS 10 - HE2 LYS 64 poor 10 88 - 11 - 5443/3.8=2, 5441/3.8=2...(5) HE ARG 45 - HE3 LYS 64 poor 9 63 - 15 - 5.0/2845=2, 5447/3.0=2...(7) HE ARG 45 - HE2 LYS 64 poor 8 63 - 13 - 5.0/2845=2, 5447/3.0=2...(7) QE PHE 80 - HE3 LYS 44 poor 8 58 - 14 - 4723/3.0=3, 4722/3.0=2...(4) HE ARG 45 - HE3 LYS 44 poor 4 31 - 15 - 4.0/2331=2, 4.0/2315=2...(8) HD2 HIS 10 - HE3 LYS 44 lone 1 47 - 2 - Peak 5455 from cnoeabs.peaks (0.73, 3.74, 59.94 ppm; 4.63 A): 5 out of 7 assignments used, quality = 0.95: QD2 LEU 76 + HA LYS 65 OK 56 97 - 59 - 5784/2.9=11, 4081/3.6=6...(22) QD1 LEU 12 + HA LYS 65 OK 52 85 - 61 - 4.6/2907=6, 1187/2.9=6...(27) QD1 LEU 79 + HA LYS 65 OK 44 97 - 45 - 2.1/5456=9, 4100/2.9=5...(20) HG3 LYS 64 + HA LYS 65 OK 37 81 - 46 - ~4024=9, 4.1/5428=6...(15) QG2 VAL 20 + HA LYS 65 OK 34 100 - 35 - 4411/4175=6, 6203/1056=6...(11) QG1 VAL 20 - HA LYS 65 OK 19 85 - 22 - 5581/1056=2, 4395/5559=2...(8) HG2 LYS 26 - HA LYS 65 poor 9 81 - 11 - 5543/4177=1, 5542/4175=1 Peak 5456 from cnoeabs.peaks (0.77, 3.74, 59.94 ppm; 4.87 A): 5 out of 7 assignments used, quality = 0.85: QD1 LEU 12 + HA LYS 65 OK 46 73 - 62 - 4.6/2907=7, 2.1/2911=6...(26) QD2 LEU 79 + HA LYS 65 OK 43 92 - 46 - 2.1/5455=7, 4101/2.9=6...(18) QD1 LEU 23 + HA LYS 65 OK 27 87 - 31 - 4479/3.0=3, 3.1/2912=3...(12) QD1 LEU 73 + HA LYS 65 OK 20 99 - 20 - 5705/3.6=5, 3.1/2910=2...(5) QG1 VAL 20 + HA LYS 65 OK 18 73 - 25 - 2.1/5455=6, 4395/5559=2...(8) QD1 LEU 30 - HA LYS 65 lone 9 100 - 9 - 6078/3.7=1 HG2 LYS 26 - HA LYS 65 poor 8 78 - 11 - 2.9/4178=1, 1700/4179=1 Peak 5457 from cnoeabs.peaks (1.97, 3.74, 59.94 ppm; 5.13 A): 6 out of 15 assignments used, quality = 0.90: HE3 LYS 68 + HA LYS 65 OK 57 78 - 73 - 4.9/4177=17, 1.8/5559=17...(11) HB2 LEU 76 + HA LYS 65 OK 54 85 - 64 - 3.1/5455=8, ~5784=7...(22) HB2 GLU 77 + HA LYS 65 OK 20 99 - 20 - ~5790=6, 4.0/4031=6, 3263/3.6=4 HB2 LYS 78 + HA LYS 65 OK 18 60 - 31 - 2.8/2911=4, 3.7/2909=3...(13) HB VAL 20 + HA LYS 65 OK 13 65 - 20 - 2.1/5455=6, 2.1/5456=4...(7) HB2 GLU 33 + HA LYS 65 OK 12 78 - 15 - ~5452=2, ~4661=1 HB3 PRO 81 - HA LYS 65 lone 10 100 - 10 - ~5911=2, ~5906=2 HB2 GLU 51 - HA LYS 65 lone 9 100 - 9 - HB3 GLU 22 - HA LYS 65 lone 7 78 - 9 - 3263/3.6=2, ~6202=1 HG2 PRO 19 - HA LYS 65 lone 7 100 - 7 - 5579/1056=2 HB2 PRO 19 - HA LYS 65 lone 6 92 - 6 - 5579/1056=1 HG3 PRO 84 - HA LYS 65 lone 5 90 - 6 - HB3 PRO 19 - HA LYS 65 lone 5 85 - 6 - 5579/1056=1 HB2 GLN 58 - HA LYS 65 lone 5 100 - 5 - HB2 GLU 25 - HA LYS 65 lone 2 63 - 4 - Peak 5458 from cnoeabs.peaks (1.76, 3.61, 65.20 ppm; 4.28 A): 5 out of 13 assignments used, quality = 0.91: QE MET 11 + HA VAL 66 OK 55 99 - 56 - 4241=39, 4244/3.2=19...(5) HB2 ARG 27 + HA VAL 66 OK 42 92 - 46 - 1773=5, 1.8/1781=5...(18) HB3 LYS 65 + HA VAL 66 OK 34 71 - 48 - 303/3.0=12, ~4032=10...(12) HB2 LYS 65 + HA VAL 66 OK 32 65 - 48 - ~303=11, 4032/3.0=10...(14) HG3 GLU 37 + HA VAL 66 OK 25 65 - 39 - 3.0/3003=6, 3.0/3003=4...(19) HB3 MET 48 - HA VAL 66 OK 19 98 - 20 - 5506/5.0=7, 4909/1048=4...(5) HB2 LEU 73 - HA VAL 66 OK 18 99 - 18 - 5464/3.2=3, ~5705=2...(8) QB ALA 74 - HA VAL 66 OK 15 92 - 17 - 5732/3.0=4, ~4228=3...(5) HB3 GLN 55 - HA VAL 66 OK 13 97 - 14 - 4.5/4182=4, 5464/3.2=3 HB3 ARG 28 - HA VAL 66 lone 9 99 - 9 - 4.0/4185=4 HB2 ARG 28 - HA VAL 66 lone 6 68 - 8 - 4.0/4185=4 HD3 LYS 78 - HA VAL 66 lone 4 76 - 6 - HB2 LYS 31 - HA VAL 66 lone 3 68 - 5 - Peak 5460 from cnoeabs.peaks (0.72, 3.61, 65.20 ppm; 5.46 A): 6 out of 8 assignments used, quality = 0.87: QD2 LEU 76 + HA VAL 66 OK 48 97 - 50 - 4081/3.0=9, 6207/3.2=8...(13) QG2 VAL 20 + HA VAL 66 OK 34 100 - 35 - 6203/1055=11...(5) HG3 LYS 64 + HA VAL 66 OK 33 83 - 39 - 4.8/2997=5, 2859/5.0=4...(14) QD1 LEU 12 + HA VAL 66 OK 21 83 - 26 - ~4275=5, 5582/4184=2...(12) QG1 VAL 20 + HA VAL 66 OK 15 83 - 18 - 5582/4184=5, 5581/1055=4...(4) QD1 LEU 79 + HA VAL 66 OK 13 97 - 14 - 5582/4184=3, 5581/1055=2...(5) HG2 LYS 26 - HA VAL 66 poor 9 78 - 12 - 5542/1048=2, 5581/1055=1 QG1 VAL 50 - HA VAL 66 lone 3 60 - 5 - Peak 5461 from cnoeabs.peaks (3.77, 1.04, 22.54 ppm; 5.15 A): 3 out of 4 assignments used, quality = 0.87: HA ALA 67 + QG2 VAL 66 OK 66 71 - 93 - 2.9/4042=43, 2.1/5507=31...(16) HD3 PRO 19 + QG2 VAL 66 OK 48 90 - 53 - 4359/2.1=10, ~4350=9...(20) HB2 SER 36 + QG2 VAL 66 OK 26 78 - 33 - ~4764=8, 4756/2.1=5...(8) HA2 GLY 40 - QG2 VAL 66 lone 3 98 - 3 - Peak 5462 from cnoeabs.peaks (4.09, 1.04, 22.54 ppm; 4.56 A): 3 out of 6 assignments used, quality = 0.82: HA3 GLY 61 + QG2 VAL 66 OK 65 96 - 68 - 5379/2.1=17, ~5378=16...(13) HA LYS 14 + QG2 VAL 66 OK 35 95 - 37 - 6095/2.1=7, ~6170=6...(13) HA3 GLY 54 + QG2 VAL 66 OK 22 78 - 28 - 5379/2.1=7, 6095/2.1=5...(9) HA LYS 91 - QG2 VAL 66 lone 7 92 - 8 - 5516/4.3=1, 6095/2.1=1 HA LYS 26 - QG2 VAL 66 lone 6 90 - 7 - 3.0/5466=1, 6095/2.1=1 HA2 GLY 59 - QG2 VAL 66 lone 6 63 - 9 - 4692/4697=4, 5620/4688=2 Peak 5464 from cnoeabs.peaks (1.75, 1.04, 22.54 ppm; 3.80 A): 6 out of 10 assignments used, quality = 0.78: HB3 LYS 65 + QG2 VAL 66 OK 36 93 - 39 - 4.4/824=17, 3.8/5467=12...(7) QE MET 11 + QG2 VAL 66 OK 34 85 - 40 - 4241/3.2=17, 4244=17...(4) HB2 ARG 27 + QG2 VAL 66 OK 19 68 - 28 - 2.9/5466=5, 3.5/3008=4...(11) HB3 GLN 55 + QG2 VAL 66 OK 15 100 - 15 - 4.5/5468=4, 4.5/5470=3...(4) HB3 MET 48 + QG2 VAL 66 OK 14 100 - 14 - 4.0/4867=2, 303/4.0=2...(6) HB2 LEU 73 + QG2 VAL 66 OK 13 100 - 13 - 5701/4697=3, 303/4.0=1...(5) HB2 LYS 17 - QG2 VAL 66 poor 7 63 - 11 - 303/4.0=2, ~4317=2...(4) HB3 LYS 17 - QG2 VAL 66 poor 7 60 - 11 - 303/4.0=2, ~4317=2...(4) QB ALA 74 - QG2 VAL 66 lone 4 68 - 6 - 5732/4.0=2, 5458/3.2=1 HB3 ARG 28 - QG2 VAL 66 lone 4 89 - 4 - 4693/4697=1 Peak 5465 from cnoeabs.peaks (1.37, 1.04, 22.54 ppm; 3.78 A): 3 out of 12 assignments used, quality = 0.95: QB ALA 67 + QG2 VAL 66 OK 83 100 - 83 - 2.9/4042=27, 5507=22...(21) QB ALA 69 + QG2 VAL 66 OK 61 89 - 69 - 4184/3.2=23, 5583/2.1=19...(17) HB2 LYS 64 + QG2 VAL 66 OK 33 99 - 33 - 4.6/5467=10, 4.0/3007=4...(9) HB3 LYS 56 - QG2 VAL 66 OK 27 97 - 27 - 3.4/5466=4, 2633=3...(10) HG2 LYS 44 - QG2 VAL 66 OK 23 100 - 23 - 2.9/5466=4, 6099/2.1=2...(7) HG2 LYS 68 - QG2 VAL 66 OK 18 100 - 18 - 828/4.3=3, 5525/4688=2...(8) HB3 LEU 12 - QG2 VAL 66 OK 17 99 - 17 - 4275/2.1=3, 4.0/5467=3...(7) HD3 LYS 56 - QG2 VAL 66 OK 17 71 - 23 - 1.8/5466=5, 2673=2...(7) HG2 LYS 91 - QG2 VAL 66 lone 4 89 - 4 - HG3 LYS 91 - QG2 VAL 66 lone 4 89 - 4 - QB ALA 86 - QG2 VAL 66 lone 3 65 - 4 - 2.9/3007=1 QB ALA 89 - QG2 VAL 66 lone 2 96 - 2 - Peak 5466 from cnoeabs.peaks (1.54, 1.04, 22.54 ppm; 4.35 A): 5 out of 10 assignments used, quality = 0.74: HG3 ARG 27 + QG2 VAL 66 OK 28 81 - 35 - 3.0/3008=6, 1797/3.2=5...(12) HB3 LYS 44 + QG2 VAL 66 OK 24 100 - 24 - 2.9/5465=3, 4796/4697=2...(7) HD2 LYS 56 + QG2 VAL 66 OK 24 99 - 24 - 3.4/5465=3, 1.8/5465=3...(10) HG LEU 34 + QG2 VAL 66 OK 22 73 - 30 - ~4678=3, 2094=3...(11) HD3 LYS 64 + QG2 VAL 66 OK 19 92 - 21 - 3.8/5465=3, 5.0/5423=3...(8) QB ALA 71 - QG2 VAL 66 lone 8 85 - 10 - 5637/4688=3, 5634/5395=1 HB3 LEU 87 - QG2 VAL 66 lone 7 99 - 7 - 4.2/3007=4 HB3 LYS 26 - QG2 VAL 66 lone 6 81 - 8 - 3.0/5462=1 HG LEU 30 - QG2 VAL 66 lone 4 100 - 4 - HB2 LEU 85 - QG2 VAL 66 lone 3 68 - 4 - 4.3/3007=1 Peak 5467 from cnoeabs.peaks (7.85, 1.04, 22.54 ppm; 4.60 A): 4 out of 4 assignments used, quality = 0.84: H LYS 65 + QG2 VAL 66 OK 74 100 - 74 - 1040/4.3=27, 5453=25...(15) H LEU 12 + QG2 VAL 66 OK 20 97 - 21 - 300/4.0=5, 1045/4.3=5...(5) H PHE 80 + QG2 VAL 66 OK 13 87 - 15 - 300/4.0=4, 1045/4.3=3...(5) HD21 ASN 24 + QG2 VAL 66 OK 12 71 - 17 - 3.5/6097=3, 5411/5397=3...(7) Peak 5468 from cnoeabs.peaks (7.53, 1.04, 22.54 ppm; 3.75 A): 3 out of 4 assignments used, quality = 0.96: H ASN 63 + QG2 VAL 66 OK 81 97 - 84 - 5395=37, 5392/2.1=26...(14) H ALA 69 + QG2 VAL 66 OK 68 96 - 71 - 1055/3.2=22, 1054/4.3=18...(15) HE22 GLN 55 + QG2 VAL 66 OK 35 100 - 35 - 1.7/5470=6, 5482/2.1=5...(12) H SER 36 - QG2 VAL 66 OK 10 60 - 17 - 165/2.1=3, 4750=3...(6) Peak 5469 from cnoeabs.peaks (7.33, 1.04, 22.54 ppm; 4.63 A): 2 out of 3 assignments used, quality = 0.97: QD TYR 70 + QG2 VAL 66 OK 95 100 - 95 - 4697=48, 2.2/4688=38...(16) QE PHE 46 + QG2 VAL 66 OK 40 95 - 43 - 2.2/4635=8, 5471/2.1=7...(12) HZ PHE 46 - QG2 VAL 66 OK 28 97 - 29 - 3.8/4635=6, ~5471=5...(8) Peak 5470 from cnoeabs.peaks (6.77, 1.04, 22.54 ppm; 3.50 A): 2 out of 2 assignments used, quality = 0.82: HD22 ASN 63 + QG2 VAL 66 OK 79 100 - 79 - 5401=42, 1.7/5399=27...(10) HE21 GLN 55 + QG2 VAL 66 OK 15 60 - 25 - 1.7/5468=6, 5472/2.1=3...(8) Peak 5471 from cnoeabs.peaks (7.32, 1.12, 21.65 ppm; 3.32 A): 4 out of 6 assignments used, quality = 0.88: QD TYR 70 + QG1 VAL 66 OK 78 99 - 79 - 4696=32, 2.2/4687=24...(12) QD TYR 70 + QG2 THR 13 OK 23 79 - 30 - 4696=12, 2.2/4687=8...(7) QE PHE 46 + QG1 VAL 66 OK 20 85 - 24 - 5469/2.1=4, ~5474=3...(9) HZ PHE 46 + QG1 VAL 66 OK 13 100 - 13 - 5469/2.1=3, ~5469=3...(4) HZ PHE 46 - QG2 THR 13 lone 2 80 - 3 - QE PHE 46 - QG2 THR 13 lone 2 62 - 3 - Peak 5472 from cnoeabs.peaks (6.79, 1.12, 21.65 ppm; 3.04 A): 4 out of 8 assignments used, quality = 0.85: QE TYR 70 + QG1 VAL 66 OK 67 96 - 70 - 4687=32, 2.2/4696=18...(12) HD22 ASN 63 + QG1 VAL 66 OK 32 71 - 46 - 5401/2.1=16, ~5399=12...(10) HE21 GLN 55 + QG1 VAL 66 OK 19 99 - 19 - 1.7/5482=4, ~5468=3...(7) QE TYR 70 + QG2 THR 13 OK 17 73 - 24 - 4687=10, 2.2/4696=7...(6) HD22 ASN 63 - QG2 THR 13 lone 3 50 - 6 - 5.5/5394=2, 5401/3011=1, 5402=1 HE21 GLN 55 - QG2 THR 13 lone 3 78 - 3 - QD TYR 32 - QG1 VAL 66 lone 2 60 - 3 - QD TYR 32 - QG2 THR 13 lone 1 41 - 2 - Peak 5473 from cnoeabs.peaks (7.34, 1.84, 31.97 ppm; 4.17 A): 3 out of 20 assignments used, quality = 0.94: QD TYR 70 + HB VAL 66 OK 86 97 - 88 - 4697/2.1=33, 4696/2.1=29...(12) QE PHE 46 + HB VAL 66 OK 34 100 - 34 - 2.2/5474=8, 5469/2.1=7...(8) QE PHE 46 + HB3 GLU 37 OK 32 78 - 41 - 2.2/5474=8, ~4633=6...(14) QE PHE 46 - HB2 LYS 44 OK 25 38 - 67 - 4796/1.8=12, 4638/2.9=11...(15) QE PHE 46 - HB2 GLU 37 OK 23 59 - 39 - 2.2/4633=8, 5.6/4818=6...(12) HZ PHE 46 - HB VAL 66 OK 20 83 - 24 - 3.8/5474=6, 5469/2.1=5...(5) HZ PHE 46 - HB2 LYS 44 OK 17 26 - 64 - 4645/2.9=13, 4796/1.8=11...(15) QD TYR 70 - HB3 GLU 37 OK 14 73 - 20 - 4775/3.0=4, 4774/3.0=2...(8) HZ PHE 46 - HB3 GLU 37 OK 14 58 - 25 - 3.8/5474=6, ~4775=5...(7) HZ PHE 46 - HB2 GLU 37 OK 12 42 - 28 - 3.8/4633=6, ~4775=5...(9) QD TYR 70 - HB2 LYS 44 OK 11 35 - 31 - 4796/1.8=6, 4797/2.9=5...(10) QD TYR 70 - HB2 GLU 37 OK 11 55 - 19 - 4775/3.0=4, 4774/3.0=2...(8) H ALA 75 - HB VAL 66 lone 7 83 - 9 - 1087/4.0=3 H ALA 75 - HB3 GLU 37 lone 4 58 - 7 - H ALA 75 - HB2 GLU 37 lone 3 42 - 7 - H GLU 25 - HB VAL 66 lone 2 73 - 3 - H GLU 25 - HB3 GLU 37 lone 1 50 - 3 - H ALA 75 - HB2 LYS 44 lone 1 26 - 4 - H GLU 25 - HB2 GLU 37 lone 1 36 - 3 - H GLU 25 - HB2 LYS 44 lone 1 23 - 3 - Peak 5474 from cnoeabs.peaks (7.02, 1.84, 31.97 ppm; 4.48 A): 4 out of 16 assignments used, quality = 0.78: QD PHE 46 + HB3 GLU 37 OK 38 76 - 50 - ~6056=17, 4633/1.8=10...(15) QD PHE 46 + HB VAL 66 OK 37 99 - 38 - 4635/2.1=8, 5403/5392=8...(9) QD PHE 46 + HB2 GLU 37 OK 30 58 - 52 - ~6056=17, 4633=11...(13) QD PHE 46 + HB2 LYS 44 OK 21 37 - 57 - 4633=11, ~4796=10...(15) QE PHE 80 - HB VAL 66 lone 7 99 - 7 - 5403/5392=3 QE PHE 80 - HB3 GLU 37 lone 6 75 - 8 - 4721/3.0=1 QE PHE 80 - HB2 GLU 37 lone 6 57 - 10 - 4716/4818=4, 4721/3.0=1 QE PHE 80 - HB2 LYS 44 poor 4 36 - 10 - 4723/3.7=2, 4722/3.7=2...(4) HE ARG 45 - HB2 LYS 44 poor 3 19 - 14 - ~2360=3, ~2353=3...(7) HD2 HIS 10 - HB VAL 66 lone 1 89 - 2 - HE ARG 45 - HB VAL 66 lone 1 63 - 2 - HD2 HIS 10 - HB3 GLU 37 lone 1 63 - 1 - HE ARG 45 - HB3 GLU 37 lone 1 42 - 2 - HD2 HIS 10 - HB2 GLU 37 lone 1 47 - 1 - HE ARG 45 - HB2 GLU 37 lone 1 30 - 2 - HD2 HIS 10 - HB2 LYS 44 lone 0 29 - 1 - Peak 5475 from cnoeabs.peaks (6.78, 1.84, 31.97 ppm; 4.81 A): 3 out of 12 assignments used, quality = 0.95: HD22 ASN 63 + HB VAL 66 OK 78 93 - 84 - 5401/2.1=39, ~5399=29...(7) QE TYR 70 + HB VAL 66 OK 67 76 - 88 - 4688/2.1=30, ~4697=29...(13) HE21 GLN 55 + HB VAL 66 OK 35 87 - 40 - 5470/2.1=7, ~5468=6...(9) QE TYR 70 - HB3 GLU 37 OK 11 52 - 20 - ~4775=5, ~4774=2...(9) HD22 ASN 63 - HB2 LYS 44 poor 9 32 - 29 - 5400=7, 1.7/5398=6...(7) HD22 ASN 63 - HB3 GLU 37 poor 9 68 - 13 - 5400/1.8=3, 5.5/5392=2...(5) QE TYR 70 - HB2 GLU 37 poor 7 38 - 19 - ~4775=5, ~4774=2...(9) QE TYR 70 - HB2 LYS 44 poor 5 24 - 22 - ~4796=6, ~4797=5...(6) HD22 ASN 63 - HB2 GLU 37 lone 5 50 - 10 - 5400=2, 1.7/5398=2, 5401/3009=2 HE21 GLN 55 - HB3 GLU 37 lone 3 61 - 6 - HE21 GLN 55 - HB2 GLU 37 lone 2 45 - 5 - HE21 GLN 55 - HB2 LYS 44 lone 1 28 - 2 - Peak 5479 from cnoeabs.peaks (7.52, 1.84, 31.97 ppm; 3.48 A): 3 out of 12 assignments used, quality = 0.93: H ASN 63 + HB VAL 66 OK 73 100 - 73 - 5392=33, 5395/2.1=26...(12) H ALA 69 + HB VAL 66 OK 66 100 - 66 - 1055/3.0=21, 1054/4.5=15...(15) HE22 GLN 55 + HB VAL 66 OK 24 92 - 26 - 5468/2.1=5, 4182/3.0=4...(8) H ASN 63 - HB3 GLU 37 poor 10 78 - 12 - 5392=5, 5395/3009=1...(4) H ALA 69 - HB3 GLU 37 poor 9 78 - 12 - 5578/1.8=2, 1055/3003=1...(5) H ALA 69 - HB2 GLU 37 poor 6 59 - 11 - 5578=1, 1001/4.1=1...(4) H ASN 63 - HB2 GLU 37 poor 6 59 - 11 - 5392/1.8=4, 5403/4633=1 H ALA 69 - HB2 LYS 44 lone 4 38 - 10 - 321/3.7=2, 4.6/5534=2...(4) H ASN 63 - HB2 LYS 44 lone 3 38 - 8 - 5.5/5398=2, 5.5/5400=1...(4) HE22 GLN 55 - HB3 GLU 37 lone 2 66 - 4 - HE22 GLN 55 - HB2 GLU 37 lone 2 49 - 3 - HE22 GLN 55 - HB2 LYS 44 lone 0 31 - 1 - Peak 5482 from cnoeabs.peaks (7.54, 1.12, 21.65 ppm; 3.54 A): 6 out of 8 assignments used, quality = 0.94: H ASN 63 + QG1 VAL 66 OK 64 89 - 73 - 5394=26, 5395/2.1=24...(15) H ALA 69 + QG1 VAL 66 OK 59 87 - 68 - 1055/3.2=18, 2.9/5583=15...(13) HE22 GLN 55 + QG1 VAL 66 OK 31 100 - 31 - 1.7/5472=6, 5468/2.1=6...(9) H ASN 63 + QG2 THR 13 OK 23 65 - 35 - 5394=10, 5396/2.1=7...(9) H SER 36 + QG1 VAL 66 OK 17 76 - 22 - 165=3, 4750/2.1=3...(10) H ALA 69 + QG2 THR 13 OK 11 64 - 17 - 2.9/5583=3, 4.6/5585=3...(5) HE22 GLN 55 - QG2 THR 13 lone 5 80 - 6 - H SER 36 - QG2 THR 13 lone 3 54 - 5 - 4.0/4764=1 Peak 5485 from cnoeabs.peaks (7.33, 3.80, 55.50 ppm; 3.83 A): 3 out of 5 assignments used, quality = 0.90: QD TYR 70 + HA ALA 67 OK 81 100 - 81 - 4691=28, 2.5/4190=23...(16) QE PHE 46 + HA ALA 67 OK 34 99 - 34 - ~5488=11, 5489/2.1=7...(10) HZ PHE 46 + HA ALA 67 OK 21 92 - 23 - 5489/2.1=5, ~5489=5...(8) H ALA 75 - HA ALA 67 lone 6 71 - 8 - 4.6/5490=3, 5489/2.1=1 H GLU 25 - HA ALA 67 lone 1 60 - 2 - Peak 5486 from cnoeabs.peaks (6.79, 3.80, 55.50 ppm; 5.47 A): 3 out of 3 assignments used, quality = 0.91: QE TYR 70 + HA ALA 67 OK 85 99 - 86 - 2.2/4691=30, 4.4/4190=29...(13) HE21 GLN 55 + HA ALA 67 OK 27 100 - 27 - 1.7/4186=8, ~1047=5...(7) QD TYR 32 + HA ALA 67 OK 14 73 - 19 - ~5504=3, 846/1060=2...(8) Peak 5487 from cnoeabs.peaks (6.08, 3.80, 55.50 ppm; 4.10 A): 1 out of 1 assignment used, quality = 0.78: HA ALA 60 + HA ALA 67 OK 78 100 - 78 - 5495/2.1=38, 5360=27...(10) Peak 5488 from cnoeabs.peaks (7.02, 1.37, 18.31 ppm; 4.78 A): 2 out of 3 assignments used, quality = 0.72: QD PHE 46 + QB ALA 67 OK 63 100 - 63 - 2.4/5504=14, 2.2/5489=11...(16) QE PHE 80 + QB ALA 67 OK 25 95 - 26 - 5.6/5503=5, 5415/4172=5...(8) HD2 HIS 10 - QB ALA 67 lone 4 97 - 4 - 5415/4172=1 Peak 5489 from cnoeabs.peaks (7.34, 1.37, 18.31 ppm; 4.80 A): 3 out of 5 assignments used, quality = 0.97: QD TYR 70 + QB ALA 67 OK 87 97 - 90 - 4691/2.1=27, ~4190=23...(18) QE PHE 46 + QB ALA 67 OK 60 100 - 60 - 2.2/5488=26, 5485/2.1=11...(10) HZ PHE 46 + QB ALA 67 OK 43 83 - 52 - 3.8/5488=20, ~5485=7...(9) H ALA 75 - QB ALA 67 OK 12 83 - 15 - 4.6/5492=4, 1007/5492=2...(4) H GLU 25 - QB ALA 67 lone 3 73 - 4 - Peak 5490 from cnoeabs.peaks (8.54, 3.80, 55.50 ppm; 4.44 A): 3 out of 3 assignments used, quality = 0.93: H GLY 61 + HA ALA 67 OK 89 99 - 90 - 5492/2.1=33, 3.6/5487=31...(17) H LEU 76 + HA ALA 67 OK 21 100 - 21 - 5492/2.1=6, 5491/2.9=5...(7) H ASP 82 + HA ALA 67 OK 20 100 - 20 - 5492/2.1=6, 5491/2.9=4...(7) Peak 5492 from cnoeabs.peaks (8.54, 1.37, 18.31 ppm; 3.65 A): 3 out of 3 assignments used, quality = 0.80: H GLY 61 + QB ALA 67 OK 74 99 - 74 - 5371=27, 3.6/5495=25...(11) H LEU 76 + QB ALA 67 OK 14 100 - 14 - 5490/2.1=4, 5491/2.9=3...(4) H ASP 82 + QB ALA 67 OK 13 100 - 12 - 5490/2.1=4, 5491/2.9=2...(5) Peak 5493 from cnoeabs.peaks (9.23, 1.37, 18.31 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.79: H MET 48 + QB ALA 67 OK 79 100 - 79 - 4844=19, 3.5/5503=19...(16) Peak 5494 from cnoeabs.peaks (9.21, 3.80, 55.50 ppm; 5.29 A): 1 out of 1 assignment used, quality = 0.79: H MET 48 + HA ALA 67 OK 79 90 - 87 - 5493/2.1=39, 4872=28...(13) Peak 5495 from cnoeabs.peaks (6.07, 1.37, 18.31 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.64: HA ALA 60 + QB ALA 67 OK 64 90 - 71 - 6046=26, 5487/2.1=25...(13) Peak 5497 from cnoeabs.peaks (5.04, 3.80, 55.50 ppm; 5.77 A): 2 out of 2 assignments used, quality = 0.87: HA VAL 47 + HA ALA 67 OK 81 100 - 81 - 5503/2.1=39, 3.5/5494=37...(8) HA PHE 80 + HA ALA 67 OK 30 100 - 30 - 5503/2.1=11, 5351/5487=5...(8) Peak 5498 from cnoeabs.peaks (4.48, 3.80, 55.50 ppm; 4.54 A): 2 out of 3 assignments used, quality = 0.88: HA2 GLY 61 + HA ALA 67 OK 79 99 - 80 - 2.9/5490=23, ~5492=18...(17) HB THR 13 + HA ALA 67 OK 42 100 - 43 - 2.1/5511=12, 5500/2.9=7...(11) HA LYS 17 - HA ALA 67 lone 5 65 - 8 - 3.6/4321=2, 5501/2.1=1 Peak 5501 from cnoeabs.peaks (4.46, 1.37, 18.31 ppm; 5.35 A): 3 out of 4 assignments used, quality = 0.90: HA2 GLY 61 + QB ALA 67 OK 64 73 - 88 - 2.9/5492=35, 5498/2.1=23...(14) HB THR 13 + QB ALA 67 OK 48 87 - 56 - 5498/2.1=12, ~5511=10...(13) HA3 GLY 59 + QB ALA 67 OK 47 90 - 52 - 4.8/5495=36, 4874/5493=7...(8) HA LYS 17 - QB ALA 67 lone 9 97 - 10 - 4874/5493=2, 5498/2.1=2 Peak 5502 from cnoeabs.peaks (5.61, 1.37, 18.31 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.94: HA MET 48 + QB ALA 67 OK 94 100 - 95 - 3.0/5493=47, 4.0/5505=40...(15) Peak 5503 from cnoeabs.peaks (5.04, 1.37, 18.31 ppm; 3.89 A): 2 out of 2 assignments used, quality = 0.70: HA VAL 47 + QB ALA 67 OK 63 100 - 63 - 3.5/5493=27, 4.8/5502=13...(10) HA PHE 80 + QB ALA 67 OK 19 100 - 19 - 5497/2.1=4, 5.6/5488=3...(7) Peak 5504 from cnoeabs.peaks (2.54, 1.37, 18.31 ppm; 3.26 A): 2 out of 5 assignments used, quality = 0.84: HG2 MET 48 + QB ALA 67 OK 73 99 - 74 - 1.8/5505=30, 4915/3.7=11...(15) HB3 PHE 46 + QB ALA 67 OK 40 93 - 43 - 2.4/5488=10, 1.8/4821=5...(13) HB2 TYR 32 - QB ALA 67 poor 9 76 - 12 - 2441/5505=3, 5537/3.7=2...(4) HE3 LYS 26 - QB ALA 67 lone 8 87 - 9 - 5537/3.7=2 HE2 LYS 26 - QB ALA 67 lone 6 81 - 8 - 5537/3.7=1 Peak 5505 from cnoeabs.peaks (2.34, 1.37, 18.31 ppm; 3.54 A): 1 out of 2 assignments used, quality = 0.79: HG3 MET 48 + QB ALA 67 OK 79 100 - 79 - 1.8/5504=22, 5536/3.7=16...(18) HG2 MET 11 - QB ALA 67 lone 3 65 - 5 - 3.4/5506=2 Peak 5506 from cnoeabs.peaks (1.77, 1.37, 18.31 ppm; 3.73 A): 4 out of 14 assignments used, quality = 0.93: HB3 MET 48 + QB ALA 67 OK 75 92 - 82 - 3.0/5505=29, 4.0/5493=21...(17) HB2 MET 48 + QB ALA 67 OK 52 65 - 80 - 3.0/5505=29, 4.0/5493=21...(14) QE MET 11 + QB ALA 67 OK 24 100 - 24 - 4241/5.0=13, 4244/5507=2...(5) HB2 LYS 65 + QB ALA 67 OK 23 81 - 29 - ~4174=10, ~1044=7...(7) HB2 LEU 73 - QB ALA 67 OK 16 95 - 16 - 3.1/5508=2, 3.1/6107=2...(7) HG3 GLU 37 - QB ALA 67 OK 13 81 - 17 - 2421/5505=2, 2416/5493=2...(8) QB ALA 74 - QB ALA 67 lone 10 98 - 10 - 3.4/5489=1 HB2 ARG 27 - QB ALA 67 lone 10 98 - 10 - 1773/5.0=3, 5533/3.7=1 HB3 GLN 55 - QB ALA 67 lone 7 89 - 8 - 5533/3.7=1 HB3 ARG 28 - QB ALA 67 lone 6 100 - 6 - HD3 LYS 78 - QB ALA 67 lone 3 89 - 4 - HB2 LYS 91 - QB ALA 67 lone 3 68 - 4 - HB2 ARG 28 - QB ALA 67 lone 3 83 - 4 - HB2 LYS 31 - QB ALA 67 lone 2 83 - 3 - Peak 5507 from cnoeabs.peaks (1.04, 1.37, 18.31 ppm; 4.38 A): 3 out of 3 assignments used, quality = 0.93: QG2 VAL 66 + QB ALA 67 OK 89 100 - 89 - 4042/2.9=35, 3008/5.0=20...(22) QD2 LEU 34 + QB ALA 67 OK 28 90 - 31 - 4693/5502=5, 313/2.9=5...(10) HG2 LYS 56 + QB ALA 67 OK 15 76 - 20 - 313/2.9=4, 3000/5.0=2...(5) Peak 5508 from cnoeabs.peaks (0.83, 1.37, 18.31 ppm; 4.37 A): 7 out of 7 assignments used, quality = 0.94: QG2 VAL 47 + QB ALA 67 OK 63 99 - 63 - 4.3/5493=27, 3.2/5503=26...(7) QG1 VAL 47 + QB ALA 67 OK 60 95 - 64 - 4.3/5493=27, 3.2/5503=26...(9) QG2 ILE 35 + QB ALA 67 OK 27 97 - 27 - 4708/5502=8, 202/5493=4...(7) QD2 LEU 73 + QB ALA 67 OK 20 100 - 20 - 2.1/6107=3, 5707/5489=3...(5) QD2 LEU 85 + QB ALA 67 OK 15 100 - 15 - 5959/3.7=10 QD2 LEU 87 + QB ALA 67 OK 15 98 - 15 - 5959/3.7=10, 4.8/6068=1 HD2 LYS 26 + QB ALA 67 OK 12 92 - 13 - 3.0/5504=2, 3.0/5504=2 Peak 5509 from cnoeabs.peaks (2.55, 3.80, 55.50 ppm; 5.53 A): 2 out of 3 assignments used, quality = 0.94: HG2 MET 48 + HA ALA 67 OK 83 87 - 95 - ~5505=42, 4915/3.6=27...(16) HB3 PHE 46 + HA ALA 67 OK 67 100 - 67 - ~5488=22, 5515/2.9=17...(11) HE3 LYS 26 - HA ALA 67 poor 10 60 - 16 - 5537/3.6=5, 5504/2.1=3...(6) Peak 5510 from cnoeabs.peaks (1.82, 3.80, 55.50 ppm; 5.14 A): 5 out of 11 assignments used, quality = 0.94: HB VAL 66 + HA ALA 67 OK 73 78 - 93 - ~4042=29, 2.1/5511=28...(18) HB2 MET 48 + HA ALA 67 OK 59 65 - 91 - ~5505=30, 4.0/5494=28...(14) HB2 GLU 37 + HA ALA 67 OK 24 100 - 24 - ~4041=5, ~312=4...(7) HB2 LYS 44 + HA ALA 67 OK 18 99 - 18 - 5534/3.6=5, 2.9/3019=2...(6) HG LEU 76 + HA ALA 67 OK 13 95 - 14 - 4.9/5490=4, 5534/3.6=3 HB2 GLU 49 - HA ALA 67 poor 9 71 - 13 - 5534/3.6=3, ~4980=2...(5) HB3 GLU 33 - HA ALA 67 lone 9 99 - 9 - 5534/3.6=4 HB2 GLU 22 - HA ALA 67 lone 7 78 - 8 - 5534/3.6=2, 312/2.9=2 HB2 LYS 91 - HA ALA 67 poor 6 63 - 10 - ~5516=1, 5.0/4188=1, 5.0/4188=1 HG3 GLU 51 - HA ALA 67 lone 6 96 - 6 - 5534/3.6=1 HG2 GLU 51 - HA ALA 67 lone 6 95 - 6 - 5534/3.6=1 Peak 5511 from cnoeabs.peaks (1.12, 3.80, 55.50 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.92: QG1 VAL 66 + HA ALA 67 OK 87 100 - 87 - 4043/2.9=27, ~4042=20...(23) QG2 THR 13 + HA ALA 67 OK 41 89 - 46 - 2.1/5498=11, 4043/2.9=10...(14) HG3 LYS 14 - HA ALA 67 poor 8 81 - 10 - 314/2.9=3 HG12 ILE 35 - HA ALA 67 lone 6 76 - 8 - ~5508=2, 314/2.9=1 Peak 5518 from cnoeabs.peaks (6.82, 3.54, 60.08 ppm; 4.09 A): 3 out of 3 assignments used, quality = 0.97: QD TYR 32 + HA LYS 68 OK 92 100 - 92 - 4604=49, 2.2/4615=32...(25) HE21 GLN 55 + HA LYS 68 OK 39 71 - 55 - 1.7/4046=10, 5203/3.9=7...(21) QE TYR 70 + HA LYS 68 OK 37 83 - 44 - 6.5/1058=11, 5525/3.9=5...(18) Peak 5519 from cnoeabs.peaks (6.66, 3.54, 60.08 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.95: QE TYR 32 + HA LYS 68 OK 95 99 - 96 - 4615=50, 2.2/4604=40...(22) Peak 5520 from cnoeabs.peaks (7.42, 1.60, 32.10 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.83: H ALA 67 + HB2 LYS 68 OK 83 100 - 83 - 315/4.0=45, 1054/4.3=38...(18) Peak 5521 from cnoeabs.peaks (6.81, 1.60, 32.10 ppm; 5.53 A): 3 out of 3 assignments used, quality = 1.00: QD TYR 32 + HB2 LYS 68 OK 98 99 - 100 - 4604/3.0=45, 2.2/5522=32...(35) HE21 GLN 55 + HB2 LYS 68 OK 77 93 - 83 - 5203/2.9=15, 1.7/4047=15...(21) QE TYR 70 + HB2 LYS 68 OK 62 98 - 63 - 5525/2.9=12, 5527/2.9=11...(12) Peak 5522 from cnoeabs.peaks (6.67, 1.60, 32.10 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.98: QE TYR 32 + HB2 LYS 68 OK 98 99 - 100 - 4630/3.0=47, 5528/2.9=44...(26) Peak 5523 from cnoeabs.peaks (6.81, 1.29, 32.10 ppm; 5.98 A): 3 out of 3 assignments used, quality = 1.00: QD TYR 32 + HB3 LYS 68 OK 94 95 - 100 - 4604/3.0=46, 2.2/5524=42...(37) HE21 GLN 55 + HB3 LYS 68 OK 84 98 - 86 - 5203/2.9=16, 1.7/4048=15...(22) QE TYR 70 + HB3 LYS 68 OK 67 100 - 67 - 5525/2.9=13, 5527/2.9=12...(13) Peak 5524 from cnoeabs.peaks (6.66, 1.29, 32.10 ppm; 5.68 A): 1 out of 1 assignment used, quality = 0.99: QE TYR 32 + HB3 LYS 68 OK 99 100 - 99 - 4615/3.0=45, 5526/2.9=37...(26) Peak 5525 from cnoeabs.peaks (6.81, 1.37, 25.66 ppm; 4.62 A): 3 out of 3 assignments used, quality = 0.99: QD TYR 32 + HG2 LYS 68 OK 91 95 - 96 - 4604/3.9=29, 2.2/5526=27...(31) HE21 GLN 55 + HG2 LYS 68 OK 71 98 - 72 - 5203/1.8=16, 1.7/4049=12...(20) QE TYR 70 + HG2 LYS 68 OK 63 100 - 63 - 5527/1.8=11, 4686=10...(17) Peak 5526 from cnoeabs.peaks (6.66, 1.37, 25.66 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.98: QE TYR 32 + HG2 LYS 68 OK 98 100 - 98 - 4615/3.9=38, 5528/1.8=36...(22) Peak 5527 from cnoeabs.peaks (6.80, 0.80, 25.66 ppm; 4.26 A): 3 out of 3 assignments used, quality = 0.97: QD TYR 32 + HG3 LYS 68 OK 82 87 - 95 - 2.2/5528=27, 4604/3.9=23...(32) HE21 GLN 55 + HG3 LYS 68 OK 66 100 - 66 - 5203=14, 5525/1.8=11...(17) QE TYR 70 + HG3 LYS 68 OK 52 100 - 52 - 5525/1.8=9, 5614=9...(14) Peak 5528 from cnoeabs.peaks (6.68, 0.80, 25.66 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.89: QE TYR 32 + HG3 LYS 68 OK 89 93 - 96 - 4630/3.9=31, 5526/1.8=28...(23) Peak 5529 from cnoeabs.peaks (6.81, 1.23, 28.78 ppm; 4.76 A): 6 out of 6 assignments used, quality = 1.00: QD TYR 32 + HD2 LYS 68 OK 93 95 - 99 - 4604/5.2=23, ~5570=21...(43) QD TYR 32 + HD3 LYS 68 OK 93 94 - 99 - 4604/5.2=23, ~5570=21...(42) HE21 GLN 55 + HD2 LYS 68 OK 69 98 - 70 - 5203/3.0=14, 5525/3.0=11...(16) HE21 GLN 55 + HD3 LYS 68 OK 69 98 - 70 - 5203/3.0=14, 5525/3.0=11...(16) QE TYR 70 + HD2 LYS 68 OK 53 100 - 53 - 5527/3.0=10, 5525/3.0=10...(10) QE TYR 70 + HD3 LYS 68 OK 52 100 - 53 - 5527/3.0=10, 5525/3.0=10...(10) Peak 5530 from cnoeabs.peaks (6.66, 1.23, 28.78 ppm; 5.66 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 32 + HD2 LYS 68 OK 99 100 - 99 - 5570/3.0=41, 5526/3.0=37...(27) QE TYR 32 + HD3 LYS 68 OK 99 100 - 99 - 5570/3.0=41, 5526/3.0=37...(27) Peak 5538 from cnoeabs.peaks (2.33, 3.54, 60.08 ppm; 4.83 A): 2 out of 2 assignments used, quality = 0.93: HG3 MET 48 + HA LYS 68 OK 92 93 - 99 - 1.8/4880=46, 4882=46...(28) HG2 MET 11 + HA LYS 68 OK 13 90 - 15 - 3.4/5540=3, ~4245=3...(7) Peak 5539 from cnoeabs.peaks (1.92, 3.54, 60.08 ppm; 4.50 A): 2 out of 11 assignments used, quality = 0.98: QE MET 48 + HA LYS 68 OK 96 98 - 98 - 4886=49, 3.3/4880=33...(26) HB VAL 20 + HA LYS 68 OK 63 90 - 69 - 2.1/4403=27, ~4411=12...(19) HB VAL 47 - HA LYS 68 OK 44 98 - 45 - 4.4/4871=11, 2.1/3028=6...(17) HB2 GLU 33 - HA LYS 68 OK 35 81 - 44 - 4654/3.9=6, 5546/3.0=4...(19) HG3 GLU 49 - HA LYS 68 OK 34 100 - 34 - 4980/3.9=5, 4981/3.9=5...(14) HB2 LEU 76 - HA LYS 68 OK 21 73 - 28 - 3.1/5541=3, 5535/3.0=3...(14) HG3 PRO 84 - HA LYS 68 OK 19 65 - 29 - ~316=3, 5546/3.0=3...(12) HD2 LYS 78 - HA LYS 68 OK 12 100 - 12 - 5546/3.0=1, 5551/3.9=1 HB3 GLU 22 - HA LYS 68 OK 10 81 - 12 - ~5534=1, 5535/3.0=1, 1503/4403=1 HG3 PRO 81 - HA LYS 68 lone 9 100 - 9 - HB2 MET 11 - HA LYS 68 poor 7 63 - 11 - 3.0/5538=4, 4.3/5540=2 Peak 5540 from cnoeabs.peaks (1.75, 3.54, 60.08 ppm; 3.78 A): 2 out of 9 assignments used, quality = 0.95: HB3 MET 48 + HA LYS 68 OK 91 100 - 91 - 4877=32, 3.0/4880=26...(23) HB3 LYS 65 + HA LYS 68 OK 45 83 - 54 - ~4175=9, ~1050=7...(25) HB2 LEU 73 - HA LYS 68 OK 28 100 - 28 - 3172/3.0=2, 3.1/3028=2...(11) HB3 GLN 55 - HA LYS 68 OK 19 99 - 19 - 4.5/4046=5, 4.5/5518=4...(6) QE MET 11 - HA LYS 68 OK 19 95 - 20 - 4245/3.0=4, 4252/1058=3...(5) HB2 ARG 27 - HA LYS 68 OK 14 83 - 17 - 4.2/4197=2, 5659/4196=2...(9) HB3 ARG 28 - HA LYS 68 OK 11 97 - 12 - 4.0/4197=2, 5659/4196=2...(5) QB ALA 74 - HA LYS 68 OK 11 83 - 13 - 5659/4196=3, 5733/1071=2...(4) HD3 LYS 78 - HA LYS 68 lone 4 63 - 6 - Peak 5541 from cnoeabs.peaks (0.73, 3.54, 60.08 ppm; 4.36 A): 4 out of 7 assignments used, quality = 0.99: QG2 VAL 20 + HA LYS 68 OK 85 100 - 86 - 4403=27, 6203/3.6=20...(25) QG1 VAL 20 + HA LYS 68 OK 76 93 - 81 - 2.1/4403=25...(23) QD1 LEU 79 + HA LYS 68 OK 55 100 - 55 - 2.1/3028=7, 5543/3.0=6...(23) HG2 LYS 26 + HA LYS 68 OK 55 90 - 61 - 2.9/3026=6, 5543/3.0=6...(31) QD1 LEU 12 - HA LYS 68 OK 42 93 - 46 - 1189/3.0=6, 1190/3.9=5...(20) QD2 LEU 76 - HA LYS 68 OK 34 90 - 37 - 6047/3.0=4, 5542/3.0=3...(18) HG3 LYS 64 - HA LYS 68 OK 21 68 - 31 - 3.0/3027=4, 5542/3.0=4...(14) Peak 5543 from cnoeabs.peaks (0.73, 1.60, 32.10 ppm; 3.82 A): 5 out of 7 assignments used, quality = 0.99: QG2 VAL 20 + HB2 LYS 68 OK 72 100 - 72 - 4403/3.0=17, 6203/4.3=13...(21) QG1 VAL 20 + HB2 LYS 68 OK 62 93 - 67 - ~4403=12, 4397/1.8=9...(21) QD1 LEU 79 + HB2 LYS 68 OK 58 100 - 58 - 6047/1.8=6, 2.1/3038=6...(26) HG2 LYS 26 + HB2 LYS 68 OK 56 90 - 62 - 1700/1.8=6, 2.9/3036=6...(35) QD1 LEU 12 + HB2 LYS 68 OK 50 93 - 54 - 1189=7, 2.1/1196=6...(26) QD2 LEU 76 - HB2 LYS 68 OK 26 90 - 28 - 6047/1.8=4, 6114/3.5=4...(10) HG3 LYS 64 - HB2 LYS 68 OK 18 68 - 27 - 6047/1.8=3, 3.0/3037=2...(10) Peak 5544 from cnoeabs.peaks (2.53, 1.60, 32.10 ppm; 4.91 A): 4 out of 5 assignments used, quality = 1.00: HG2 MET 48 + HB2 LYS 68 OK 99 100 - 99 - 4880/3.0=40, ~4882=26...(42) HB2 TYR 32 + HB2 LYS 68 OK 78 87 - 90 - ~4604=24, 4.4/5522=19...(25) HE3 LYS 26 + HB2 LYS 68 OK 62 95 - 66 - 5547/1.8=7, 5548/2.9=7...(24) HE2 LYS 26 + HB2 LYS 68 OK 59 90 - 66 - 5547/1.8=7, 5548/2.9=7...(24) HB3 PHE 46 - HB2 LYS 68 OK 30 85 - 35 - 5537/4.0=6, 6084/2.9=4...(14) Peak 5545 from cnoeabs.peaks (1.94, 1.60, 32.10 ppm; 4.16 A): 3 out of 13 assignments used, quality = 0.98: QE MET 48 + HB2 LYS 68 OK 88 99 - 89 - 4886/3.0=30, 4868/2.9=18...(27) HB VAL 20 + HB2 LYS 68 OK 64 100 - 64 - ~4403=14, 2.1/5543=8...(18) HB2 GLU 33 + HB2 LYS 68 OK 49 100 - 49 - 4654/2.9=8, 3.0/3041=5...(20) HG3 GLU 49 - HB2 LYS 68 OK 42 97 - 44 - 4980/2.9=5, 4981/2.9=5...(19) HB VAL 47 - HB2 LYS 68 OK 38 99 - 38 - 2.1/3038=4, 5546/1.8=4...(15) HG3 PRO 84 - HB2 LYS 68 OK 36 97 - 38 - 1.8/3042=3, 5546/1.8=3...(21) HB2 LEU 76 - HB2 LYS 68 OK 25 99 - 25 - ~6047=3, 3.1/5543=2...(10) HG2 PRO 19 - HB2 LYS 68 OK 21 78 - 26 - 5579/4.3=3, 2.3/3042=3...(13) HB2 GLU 77 - HB2 LYS 68 OK 16 81 - 20 - 3.0/5806=3, 3.0/5800=3...(6) HB3 GLU 22 - HB2 LYS 68 OK 12 100 - 12 - 4.6/588=2 HB2 GLN 58 - HB2 LYS 68 OK 11 76 - 15 - ~5287=2, ~5279=2...(7) HD2 LYS 78 - HB2 LYS 68 OK 11 89 - 12 - 5546/1.8=1, 5551/2.9=1, ~5816=1 HG3 PRO 81 - HB2 LYS 68 lone 8 87 - 9 - Peak 5546 from cnoeabs.peaks (1.93, 1.29, 32.10 ppm; 4.41 A): 4 out of 10 assignments used, quality = 0.99: QE MET 48 + HB3 LYS 68 OK 92 100 - 92 - 4886/3.0=34, 4868/2.9=19...(27) HB VAL 20 + HB3 LYS 68 OK 62 97 - 64 - ~4403=16, 2.1/6047=13...(16) HB2 GLU 33 + HB3 LYS 68 OK 48 90 - 53 - 4654/2.9=8, 3.0/3051=6...(20) HG3 GLU 49 + HB3 LYS 68 OK 48 100 - 48 - 4980/2.9=6, 4981/2.9=6...(19) HB VAL 47 - HB3 LYS 68 OK 43 100 - 43 - 2.1/3048=5, 4839/3.5=4...(17) HG3 PRO 84 - HB3 LYS 68 OK 31 78 - 39 - 5545/1.8=3, 1.8/3052=3...(21) HB2 LEU 76 - HB3 LYS 68 OK 24 85 - 28 - 3.1/6047=4, 5545/1.8=2...(11) HD2 LYS 78 - HB3 LYS 68 OK 14 99 - 14 - 5551/2.9=1, ~5816=1...(5) HB3 GLU 22 - HB3 LYS 68 OK 10 90 - 11 - 5545/1.8=1, 5535/4.0=1 HG3 PRO 81 - HB3 LYS 68 lone 10 99 - 10 - Peak 5547 from cnoeabs.peaks (2.52, 1.29, 32.10 ppm; 4.98 A): 4 out of 5 assignments used, quality = 1.00: HG2 MET 48 + HB3 LYS 68 OK 97 98 - 99 - 4880/3.0=40, ~4882=26...(40) HB2 TYR 32 + HB3 LYS 68 OK 91 99 - 92 - ~4604=25, 4.4/5524=22...(26) HE3 LYS 26 + HB3 LYS 68 OK 70 100 - 70 - 5549/2.9=8, 5548/2.9=7...(26) HE2 LYS 26 + HB3 LYS 68 OK 70 100 - 70 - 5549/2.9=8, 5548/2.9=7...(26) HB3 PHE 46 - HB3 LYS 68 OK 19 57 - 34 - 5537/4.0=5, ~4821=4...(12) Peak 5548 from cnoeabs.peaks (2.52, 1.37, 25.66 ppm; 4.18 A): 4 out of 5 assignments used, quality = 1.00: HG2 MET 48 + HG2 LYS 68 OK 90 100 - 90 - 4880/3.9=25, 4857/1.8=15...(35) HB2 TYR 32 + HG2 LYS 68 OK 77 96 - 81 - 4.4/5526=16, 4616/1.8=13...(25) HE3 LYS 26 + HG2 LYS 68 OK 54 99 - 54 - 5549/1.8=7, ~5549=5...(24) HE2 LYS 26 + HG2 LYS 68 OK 53 97 - 54 - 5549/1.8=7, ~5549=5...(24) HB3 PHE 46 - HG2 LYS 68 OK 24 71 - 34 - 1.8/4821=5, 6084=4...(15) Peak 5549 from cnoeabs.peaks (2.52, 0.80, 25.66 ppm; 3.96 A): 4 out of 5 assignments used, quality = 0.99: HG2 MET 48 + HG3 LYS 68 OK 86 98 - 88 - 4880/3.9=22, 4857=16...(33) HB2 TYR 32 + HG3 LYS 68 OK 76 99 - 77 - 4.4/5528=16, 4616=13...(23) HE3 LYS 26 + HG3 LYS 68 OK 50 100 - 50 - 5548/1.8=6, ~5548=4...(23) HE2 LYS 26 + HG3 LYS 68 OK 50 100 - 50 - 5548/1.8=6, ~5548=4...(23) HB3 PHE 46 - HG3 LYS 68 OK 15 57 - 26 - 3.0/4820=4, ~4821=3...(13) Peak 5550 from cnoeabs.peaks (1.93, 0.80, 25.66 ppm; 4.11 A): 4 out of 13 assignments used, quality = 0.99: QE MET 48 + HG3 LYS 68 OK 88 100 - 88 - 4886/3.9=25, 4868=23...(30) HG3 GLU 49 + HG3 LYS 68 OK 56 99 - 57 - 4980/1.8=7, 1.8/4977=6...(22) HB2 GLU 33 + HG3 LYS 68 OK 54 97 - 56 - 4654=8, 3.0/4663=6...(22) HB VAL 20 + HG3 LYS 68 OK 49 100 - 49 - ~4401=7, ~4397=6...(14) HB VAL 47 - HG3 LYS 68 OK 43 100 - 43 - 5551/1.8=4, 4839/3.0=4...(18) HG3 PRO 84 - HG3 LYS 68 OK 35 90 - 38 - 1.8/3072=3, 5551/1.8=3...(22) HB2 LEU 76 - HG3 LYS 68 OK 22 95 - 23 - ~6114=2, 5551/1.8=2...(12) HG2 PRO 19 - HG3 LYS 68 OK 17 65 - 26 - 4379/1.8=2, 2.3/3072=2...(11) HB2 GLN 58 - HG3 LYS 68 OK 16 63 - 25 - 1.8/5287=4, 2.9/5279=4...(8) HD2 LYS 78 - HG3 LYS 68 OK 14 96 - 14 - 5551/1.8=1, 1.8/5816=1...(4) HB2 GLU 77 - HG3 LYS 68 OK 13 68 - 19 - 3.0/3071=3, ~3061=2...(8) HB3 GLU 22 - HG3 LYS 68 OK 11 97 - 11 - 4.6/590=2 HG3 PRO 81 - HG3 LYS 68 poor 10 95 - 10 - 5551/1.8=1 Peak 5551 from cnoeabs.peaks (1.93, 1.37, 25.66 ppm; 4.17 A): 4 out of 10 assignments used, quality = 0.98: QE MET 48 + HG2 LYS 68 OK 88 100 - 88 - 4886/3.9=25, 4868/1.8=22...(32) HG3 GLU 49 + HG2 LYS 68 OK 54 100 - 54 - 4980=8, 1.8/4974=6...(21) HB VAL 20 + HG2 LYS 68 OK 49 97 - 51 - 2.1/4401=10, ~4397=6...(14) HB2 GLU 33 + HG2 LYS 68 OK 46 90 - 51 - 4654/1.8=9, ~4663=5...(20) HB VAL 47 - HG2 LYS 68 OK 43 100 - 43 - 4.4/4844=5, 2.1/3058=5...(18) HG3 PRO 84 - HG2 LYS 68 OK 30 78 - 38 - 5550/1.8=3, 1.8/3062=3...(23) HB2 LEU 76 - HG2 LYS 68 OK 20 85 - 23 - ~6114=2, 5550/1.8=2...(10) HD2 LYS 78 - HG2 LYS 68 OK 14 99 - 14 - ~5816=1, 5550/1.8=1...(4) HG3 PRO 81 - HG2 LYS 68 OK 10 99 - 10 - HB3 GLU 22 - HG2 LYS 68 lone 9 90 - 10 - Peak 5552 from cnoeabs.peaks (1.94, 1.23, 28.78 ppm; 3.57 A): 4 out of 30 assignments used, quality = 0.98: QE MET 48 + HD2 LYS 68 OK 72 96 - 75 - 4868/3.0=13, 4886/5.2=12...(34) QE MET 48 + HD3 LYS 68 OK 72 96 - 75 - 4868/3.0=13, 4886/5.2=12...(34) HB VAL 20 + HD3 LYS 68 OK 52 100 - 52 - ~4395=7, 2.1/4398=7...(21) HB VAL 20 + HD2 LYS 68 OK 52 100 - 52 - ~4395=7, 2.1/4398=7...(21) HB2 GLU 33 - HD2 LYS 68 OK 43 100 - 43 - 4654/3.0=6, 2048/3.0=5...(20) HB2 GLU 33 - HD3 LYS 68 OK 43 100 - 43 - 4654/3.0=6, 2048/3.0=5...(20) HG3 PRO 84 - HD2 LYS 68 OK 39 99 - 40 - 2.3/5951=3, 2.3/5950=3...(24) HG3 PRO 84 - HD3 LYS 68 OK 39 99 - 40 - 2.3/5951=3, ~5951=3...(24) HG3 GLU 49 - HD2 LYS 68 OK 37 90 - 41 - 4980/3.0=4, 3.0/4967=3...(17) HG3 GLU 49 - HD3 LYS 68 OK 37 90 - 41 - 4980/3.0=4, 3.0/4967=3...(17) HB VAL 47 - HD2 LYS 68 OK 33 96 - 35 - 4839=3, 4839/1.8=3...(19) HB VAL 47 - HD3 LYS 68 OK 33 96 - 35 - 4839=3, 4839/1.8=3...(19) HB2 LEU 76 - HD2 LYS 68 OK 23 100 - 22 - 3.1/6114=3, 3.1/6115=3...(7) HB2 LEU 76 - HD3 LYS 68 OK 22 100 - 22 - 3.1/6114=3, 3.1/6115=3...(7) HG2 PRO 19 - HD3 LYS 68 OK 18 89 - 21 - 4379/3.0=2, ~4377=1...(5) HG2 PRO 19 - HD2 LYS 68 OK 18 89 - 21 - 4379/3.0=2, ~4377=1...(5) HB2 GLU 77 - HD3 LYS 68 OK 17 90 - 18 - 3.0/3091=1, 3267/3.0=1...(6) HB2 GLU 77 - HD2 LYS 68 OK 17 90 - 18 - 3.0/3091=1, 3267/3.0=1...(6) HB2 GLN 58 - HD3 LYS 68 OK 11 87 - 13 - 4.6/5313=2, ~5287=1...(7) HB2 GLN 58 - HD2 LYS 68 OK 11 87 - 13 - 4.6/5313=2, ~5287=1...(7) HB3 GLU 22 - HD2 LYS 68 lone 8 100 - 8 - HB3 GLU 22 - HD3 LYS 68 lone 8 100 - 8 - HD2 LYS 78 - HD3 LYS 68 lone 7 78 - 9 - HD2 LYS 78 - HD2 LYS 68 lone 7 78 - 9 - HG3 PRO 81 - HD2 LYS 68 lone 6 76 - 7 - HG3 PRO 81 - HD3 LYS 68 lone 6 76 - 7 - HB2 GLU 51 - HD2 LYS 68 lone 4 71 - 6 - HB2 GLU 51 - HD3 LYS 68 lone 4 71 - 6 - HB3 PRO 81 - HD2 LYS 68 lone 3 65 - 5 - HB3 PRO 81 - HD3 LYS 68 lone 3 65 - 5 - Peak 5553 from cnoeabs.peaks (2.52, 1.23, 28.78 ppm; 4.41 A): 8 out of 10 assignments used, quality = 1.00: HG2 MET 48 + HD2 LYS 68 OK 91 100 - 91 - 4880/5.2=20, 4857/3.0=13...(37) HG2 MET 48 + HD3 LYS 68 OK 91 100 - 91 - 4880/5.2=20, 4857/3.0=13...(37) HB2 TYR 32 + HD3 LYS 68 OK 86 96 - 90 - 4616/3.0=12, 2.5/4610=10...(31) HB2 TYR 32 + HD2 LYS 68 OK 86 96 - 90 - 4616/3.0=12, 2.5/4610=10...(31) HE3 LYS 26 + HD2 LYS 68 OK 69 99 - 70 - 5549/3.0=6, 5548/3.0=6...(32) HE3 LYS 26 + HD3 LYS 68 OK 69 99 - 70 - 5549/3.0=6, 5548/3.0=6...(32) HE2 LYS 26 + HD2 LYS 68 OK 68 97 - 70 - 5549/3.0=6, 5548/3.0=6...(32) HE2 LYS 26 + HD3 LYS 68 OK 68 97 - 70 - 5549/3.0=6, 5548/3.0=6...(32) HB3 PHE 46 - HD2 LYS 68 OK 27 71 - 38 - 2.4/4811=4, 1.8/4822=4...(16) HB3 PHE 46 - HD3 LYS 68 OK 27 71 - 38 - 2.4/4811=4, 1.8/4822=4...(16) Peak 5554 from cnoeabs.peaks (2.87, 1.23, 28.78 ppm; 4.85 A): 2 out of 20 assignments used, quality = 0.98: HB3 TYR 32 + HD3 LYS 68 OK 87 93 - 93 - 4620/3.0=13, 4619=12...(31) HB3 TYR 32 + HD2 LYS 68 OK 87 93 - 93 - 4620/3.0=13, 4619=12...(31) HE3 LYS 17 - HD3 LYS 68 OK 37 93 - 40 - ~5564=4, ~5561=3...(20) HE3 LYS 17 - HD2 LYS 68 OK 37 93 - 40 - ~5564=4, ~5561=3...(20) HE2 LYS 65 - HD3 LYS 68 OK 34 97 - 36 - 5.8/5555=6, 5557/3.0=3...(16) HE2 LYS 65 - HD2 LYS 68 OK 34 97 - 36 - 5.8/5555=6, 5557/3.0=3...(16) HE3 LYS 65 - HD3 LYS 68 OK 32 92 - 35 - 5.8/5555=6, 5557/3.0=2...(16) HE3 LYS 65 - HD2 LYS 68 OK 31 92 - 35 - 5.8/5555=6, 5557/3.0=2...(16) HE2 LYS 17 - HD3 LYS 68 OK 29 73 - 40 - ~5564=4, ~5561=3...(20) HE2 LYS 17 - HD2 LYS 68 OK 29 73 - 40 - ~5564=4, ~5561=3...(20) HB3 ASN 18 - HD3 LYS 68 OK 13 97 - 14 - 3.9/46=1, ~5564=1...(6) HB3 ASN 18 - HD2 LYS 68 OK 13 97 - 14 - 3.9/46=1, ~5564=1...(6) HB2 ASN 18 - HD3 LYS 68 OK 13 97 - 14 - 3.9/46=1, ~5564=1...(6) HB2 ASN 18 - HD2 LYS 68 OK 13 97 - 14 - 3.9/46=1, ~5564=1...(6) HB3 ASN 24 - HD2 LYS 68 OK 10 94 - 11 - 4.6/4502=4, 5557/3.0=1 HB3 ASN 24 - HD3 LYS 68 OK 10 95 - 11 - 4.6/4502=4, 5557/3.0=1 HB3 ASN 63 - HD3 LYS 68 lone 9 99 - 9 - 4.0/4051=3, 5557/3.0=1 HB3 ASN 63 - HD2 LYS 68 lone 9 99 - 9 - 4.0/4051=3, 5557/3.0=1 HB2 ASP 53 - HD3 LYS 68 lone 3 65 - 4 - HB2 ASP 53 - HD2 LYS 68 lone 3 65 - 4 - Peak 5555 from cnoeabs.peaks (3.73, 1.23, 28.78 ppm; 4.25 A): 5 out of 6 assignments used, quality = 0.94: HA LYS 65 + HD3 LYS 68 OK 63 97 - 65 - 4177/3.5=15, 4179/3.5=13...(18) HA LYS 65 + HD2 LYS 68 OK 63 97 - 65 - 4177/3.5=15, 4179/3.5=13...(18) HB2 SER 36 + HD3 LYS 68 OK 26 65 - 39 - 4177/3.5=7, 4179/3.5=6...(12) HB2 SER 36 + HD2 LYS 68 OK 26 65 - 39 - 4177/3.5=7, 4179/3.5=6...(12) HA2 GLY 39 + HD3 LYS 68 OK 25 99 - 25 - 5556/3.0=5, 5559/3.0=5...(6) HA2 GLY 39 - HD2 LYS 68 OK 25 99 - 25 - 5556/3.0=5, 5559/3.0=5...(6) Peak 5556 from cnoeabs.peaks (3.73, 1.37, 25.66 ppm; 5.17 A): 3 out of 3 assignments used, quality = 0.95: HA LYS 65 + HG2 LYS 68 OK 85 100 - 86 - 4177/2.9=24, 4175/4.9=23...(26) HB2 SER 36 + HG2 LYS 68 OK 42 81 - 52 - 4177/2.9=11, 4179/2.9=10...(12) HA2 GLY 39 + HG2 LYS 68 OK 36 93 - 38 - 4177/2.9=8, 4179/2.9=7...(7) Peak 5557 from cnoeabs.peaks (2.86, 0.80, 25.66 ppm; 5.54 A): 2 out of 10 assignments used, quality = 0.96: HB3 TYR 32 + HG3 LYS 68 OK 94 100 - 94 - 4.4/5528=31, 4620=21...(25) HE3 LYS 17 + HG3 LYS 68 OK 35 100 - 35 - 5564/3.7=5, 5561/3.7=4...(14) HE2 LYS 17 - HG3 LYS 68 OK 34 95 - 36 - 5564/3.7=5, 5561/3.7=4...(14) HE2 LYS 65 - HG3 LYS 68 OK 32 78 - 41 - 3.0/3065=4, 5.1/6101=4...(16) HE3 LYS 65 - HG3 LYS 68 OK 27 68 - 40 - 3.0/3065=4, 5.1/6101=4...(16) HB3 ASN 63 - HG3 LYS 68 OK 16 100 - 16 - 4.0/4050=7, 5564/3.7=1 HB3 ASN 24 - HG3 LYS 68 OK 14 100 - 14 - 3.7/83=3, 5564/3.7=2...(4) HB2 ASN 18 - HG3 LYS 68 OK 13 100 - 13 - 5564/3.7=2, ~4328=2...(4) HB3 ASN 18 - HG3 LYS 68 OK 13 100 - 13 - 5564/3.7=2, ~4328=2...(4) HB2 ASN 90 - HG3 LYS 68 lone 2 65 - 4 - Peak 5558 from cnoeabs.peaks (0.73, 1.23, 28.78 ppm; 3.73 A): 8 out of 14 assignments used, quality = 1.00: QG2 VAL 20 + HD2 LYS 68 OK 69 100 - 69 - 4399/3.0=12, 4403/5.2=11...(25) QG2 VAL 20 + HD3 LYS 68 OK 69 100 - 69 - 4399/3.0=12, 4403/5.2=11...(25) HG2 LYS 26 + HD2 LYS 68 OK 61 90 - 67 - 1703/1.8=5, 5565/3.0=5...(43) HG2 LYS 26 + HD3 LYS 68 OK 61 90 - 67 - 1703/1.8=5, 5565/3.0=5...(43) QG1 VAL 20 + HD2 LYS 68 OK 60 93 - 65 - 4395/3.0=14, 4398=9...(25) QG1 VAL 20 + HD3 LYS 68 OK 60 93 - 65 - 4395/3.0=14, 4398=9...(25) QD1 LEU 79 + HD2 LYS 68 OK 60 100 - 60 - 5565/3.0=5, 3407/1.8=5...(28) QD1 LEU 79 + HD3 LYS 68 OK 60 100 - 60 - 5565/3.0=5, 3411/3.0=5...(28) QD1 LEU 12 - HD2 LYS 68 OK 40 93 - 43 - 1190/3.0=5, 1189/3.5=4...(26) QD1 LEU 12 - HD3 LYS 68 OK 40 93 - 43 - 1190/3.0=5, 1189/3.5=4...(26) QD2 LEU 76 - HD2 LYS 68 OK 28 90 - 31 - 6114=6, 6114/1.8=5...(9) QD2 LEU 76 - HD3 LYS 68 OK 28 90 - 31 - 6114=6, 6114/1.8=5...(9) HG3 LYS 64 - HD2 LYS 68 OK 20 68 - 30 - 1.8/5434=4, 4.1/5422=3...(10) HG3 LYS 64 - HD3 LYS 68 OK 20 68 - 30 - 1.8/5434=4, 4.1/5422=3...(10) Peak 5559 from cnoeabs.peaks (3.73, 2.23, 40.80 ppm; 5.80 A): 3 out of 3 assignments used, quality = 0.89: HA LYS 65 + HE2 LYS 68 OK 75 97 - 77 - 5560/1.8=20, 4177/4.9=19...(12) HA2 GLY 39 + HE2 LYS 68 OK 38 99 - 39 - 5560/1.8=10, 5556/3.7=8...(7) HB2 SER 36 + HE2 LYS 68 OK 31 65 - 47 - 5556/3.7=9, 4177/4.9=9...(10) Peak 5560 from cnoeabs.peaks (3.73, 1.99, 40.80 ppm; 5.66 A): 4 out of 6 assignments used, quality = 0.90: HA LYS 65 + HE3 LYS 68 OK 75 97 - 77 - 5559/1.8=21, 4177/4.9=18...(12) HA2 GLY 39 + HE3 LYS 68 OK 38 99 - 38 - 5559/1.8=11, 5556/3.7=8...(7) HB2 SER 36 + HE3 LYS 68 OK 30 65 - 46 - 5556/3.7=9, 5559/1.8=8...(9) HA LYS 65 + HB2 LEU 23 OK 11 34 - 33 - 5456/3.1=6, ~4477=4...(9) HA2 GLY 39 - HB2 LEU 23 poor 7 35 - 20 - ~1592=4, ~1606=3...(5) HB2 SER 36 - HB2 LEU 23 lone 1 19 - 4 - Peak 5561 from cnoeabs.peaks (2.84, 1.99, 40.80 ppm; 4.37 A): 4 out of 18 assignments used, quality = 0.87: HB3 TYR 32 + HE3 LYS 68 OK 75 95 - 79 - 2.5/5567=18, 4.4/5568=17...(15) HE2 LYS 17 + HE3 LYS 68 OK 25 100 - 25 - 5564/1.8=5, ~5564=4...(10) HE3 LYS 17 + HE3 LYS 68 OK 23 95 - 25 - 5564/1.8=4, ~5564=4...(10) HE2 LYS 56 + HE3 LYS 68 OK 11 65 - 17 - 3.6/3106=3, 4.8/3107=2...(6) HB3 ASN 24 - HE3 LYS 68 poor 9 93 - 10 - 4.6/599=3, 5564/1.8=2 HB2 ASN 18 - HE3 LYS 68 lone 8 90 - 9 - 5564/1.8=2, ~5564=1 HB3 ASN 18 - HE3 LYS 68 lone 8 89 - 9 - 5564/1.8=2, ~5564=1 HB3 TYR 32 - HB2 LEU 23 poor 7 32 - 23 - ~4611=4, 4.4/5568=4...(9) HB3 ASN 24 - HB2 LEU 23 poor 6 32 - 20 - 594/4.6=12, 4.6/599=4...(4) HE2 LYS 17 - HB2 LEU 23 poor 5 37 - 14 - ~4471=1, 594/4.6=1, 1404/1.8=1 HE3 LYS 17 - HB2 LEU 23 poor 4 32 - 13 - 594/4.6=1, ~4471=1, 1404/1.8=1 HB3 ASN 63 - HE3 LYS 68 lone 4 85 - 5 - HB2 ASN 90 - HE3 LYS 68 lone 2 97 - 2 - HB2 ASN 18 - HB2 LEU 23 lone 2 30 - 6 - 1632/4.6=3, 3685/3.9=1 HB3 ASN 18 - HB2 LEU 23 lone 2 29 - 6 - 1632/4.6=3, 3685/3.9=1 HB3 ASN 63 - HB2 LEU 23 lone 2 27 - 6 - 594/4.6=5 HB2 ASN 90 - HB2 LEU 23 lone 2 34 - 5 - 3685/3.9=2, 4139/4.6=2 HE2 LYS 56 - HB2 LEU 23 lone 1 19 - 8 - 4.8/5212=1, 4.8/5214=1 Peak 5562 from cnoeabs.peaks (2.51, 1.99, 40.80 ppm; 4.54 A): 4 out of 8 assignments used, quality = 0.99: HB2 TYR 32 + HE3 LYS 68 OK 86 100 - 86 - 2.5/5567=19, 4.4/5568=19...(19) HG2 MET 48 + HE3 LYS 68 OK 62 92 - 67 - 4880/6.0=16, 4857/3.7=11...(18) HE3 LYS 26 + HE3 LYS 68 OK 55 100 - 55 - 5549/3.7=6, 5563/1.8=5...(22) HE2 LYS 26 + HE3 LYS 68 OK 55 100 - 55 - 5549/3.7=6, 5563/1.8=5...(22) HE2 LYS 26 - HB2 LEU 23 OK 14 37 - 39 - 4532/3.0=6, ~4525=5...(13) HE3 LYS 26 - HB2 LEU 23 OK 14 37 - 39 - 4532/3.0=6, ~4525=5...(13) HB2 TYR 32 - HB2 LEU 23 poor 9 37 - 25 - ~4611=4, 4.4/5568=4...(8) HG2 MET 48 - HB2 LEU 23 poor 7 31 - 23 - 4857/3.1=4, ~4862=2...(10) Peak 5563 from cnoeabs.peaks (2.51, 2.23, 40.80 ppm; 5.82 A): 4 out of 4 assignments used, quality = 1.00: HB2 TYR 32 + HE2 LYS 68 OK 93 100 - 93 - 4.4/5570=34, 2.5/5569=25...(19) HG2 MET 48 + HE2 LYS 68 OK 77 92 - 84 - 4880/6.0=27, 4857/3.7=15...(21) HE3 LYS 26 + HE2 LYS 68 OK 69 100 - 70 - 5562/1.8=9, 5549/3.7=8...(22) HE2 LYS 26 + HE2 LYS 68 OK 69 100 - 69 - 5562/1.8=9, 5549/3.7=8...(22) Peak 5564 from cnoeabs.peaks (2.85, 2.23, 40.80 ppm; 5.25 A): 3 out of 8 assignments used, quality = 0.93: HB3 TYR 32 + HE2 LYS 68 OK 85 99 - 86 - 4.4/5570=29, 2.5/5569=23...(14) HE2 LYS 17 + HE2 LYS 68 OK 33 100 - 33 - 5561/1.8=6, ~5561=5...(13) HE3 LYS 17 + HE2 LYS 68 OK 32 99 - 33 - 5561/1.8=6, ~5561=5...(14) HB3 ASN 24 - HE2 LYS 68 OK 15 98 - 15 - 4.6/601=5, 5561/1.8=2...(5) HB2 ASN 18 - HE2 LYS 68 OK 13 97 - 13 - 5561/1.8=2, ~5561=2...(4) HB3 ASN 18 - HE2 LYS 68 OK 12 96 - 13 - 5561/1.8=2, ~5561=2...(4) HB3 ASN 63 - HE2 LYS 68 lone 7 93 - 8 - 5557/3.7=2, 5561/1.8=1 HB2 ASN 90 - HE2 LYS 68 lone 3 90 - 3 - Peak 5565 from cnoeabs.peaks (0.73, 2.23, 40.80 ppm; 3.24 A): 6 out of 7 assignments used, quality = 0.91: QG2 VAL 20 + HE2 LYS 68 OK 52 100 - 52 - 2.1/4395=13, 4399=10...(16) QG1 VAL 20 + HE2 LYS 68 OK 45 93 - 48 - 4395=15, 2.1/4399=10...(14) HG2 LYS 26 + HE2 LYS 68 OK 32 90 - 35 - 2.9/3096=4, 5566/1.8=4...(18) QD1 LEU 79 + HE2 LYS 68 OK 31 100 - 32 - 2.1/3098=4, 3411/3.7=3...(12) QD1 LEU 12 + HE2 LYS 68 OK 19 93 - 21 - 1190/3.7=3, 3.1/3097=2...(9) QD2 LEU 76 + HE2 LYS 68 OK 13 90 - 15 - 6114/3.0=3, 6114/3.0=3...(4) HG3 LYS 64 - HE2 LYS 68 poor 7 68 - 11 - ~5434=2, 3.0/3097=1...(4) Peak 5566 from cnoeabs.peaks (0.75, 1.99, 40.80 ppm; 3.39 A): 9 out of 14 assignments used, quality = 0.94: QG1 VAL 20 + HE3 LYS 68 OK 48 100 - 48 - 4395/1.8=16, ~4399=8...(12) HG2 LYS 26 + HE3 LYS 68 OK 41 100 - 41 - 5565/1.8=5, 1703/3.0=4...(19) QG2 VAL 20 + HE3 LYS 68 OK 40 85 - 47 - 4399/1.8=10, ~4395=10...(15) QD1 LEU 79 + HE3 LYS 68 OK 29 96 - 30 - 5565/1.8=5, 3411/3.7=3...(11) QD1 LEU 12 + HE3 LYS 68 OK 21 100 - 21 - 1190/3.7=3, 5565/1.8=3...(9) QD1 LEU 79 + HB2 LEU 23 OK 17 33 - 53 - 3407/1.8=7, 3411/3.1=7...(26) QG1 VAL 20 + HB2 LEU 23 OK 14 37 - 38 - 4414/4.6=11, ~4153=6...(11) HG2 LYS 26 + HB2 LEU 23 OK 13 37 - 35 - ~4523=3, ~4521=3...(13) QD1 LEU 73 + HE3 LYS 68 OK 12 65 - 19 - ~6105=2, 6104/1.8=2...(8) QD1 LEU 73 - HB2 LEU 23 poor 9 19 - 45 - 3190/3.0=4, ~3197=3...(26) QD1 LEU 30 - HB2 LEU 23 poor 8 25 - 33 - 6078/1.8=5, 6032/3.0=4...(14) QG2 VAL 20 - HB2 LEU 23 poor 8 27 - 30 - ~4153=6, 4402/1.8=6...(9) QD1 LEU 30 - HE3 LYS 68 lone 7 81 - 9 - 4593/5568=3 QD1 LEU 12 - HB2 LEU 23 lone 4 37 - 10 - 4489/4.6=1, 1189/3.0=1 Peak 5567 from cnoeabs.peaks (6.82, 1.99, 40.80 ppm; 4.13 A): 3 out of 6 assignments used, quality = 0.94: QD TYR 32 + HE3 LYS 68 OK 87 100 - 87 - 2.2/5568=23, ~5570=20...(22) HE21 GLN 55 + HE3 LYS 68 OK 34 83 - 42 - 5203/3.7=8, 5569/1.8=7...(11) QE TYR 70 + HE3 LYS 68 OK 32 92 - 35 - 5569/1.8=7, 5525/3.7=6...(9) QD TYR 32 - HB2 LEU 23 OK 17 37 - 44 - ~6201=15, 4611/3.1=6...(14) QE TYR 70 - HB2 LEU 23 lone 3 31 - 8 - 5615/3.1=2, ~4699=1, ~5617=1 HE21 GLN 55 - HB2 LEU 23 lone 2 26 - 8 - 5203/3.1=2, ~5204=2 Peak 5568 from cnoeabs.peaks (6.66, 1.99, 40.80 ppm; 4.77 A): 2 out of 2 assignments used, quality = 0.95: QE TYR 32 + HE3 LYS 68 OK 93 99 - 95 - 5570/1.8=35, 5526/3.7=24...(20) QE TYR 32 + HB2 LEU 23 OK 20 35 - 56 - 6201/3.1=33, ~4611=5...(13) Peak 5569 from cnoeabs.peaks (6.82, 2.23, 40.80 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.97: QD TYR 32 + HE2 LYS 68 OK 95 100 - 95 - 2.2/5570=33, 4739=24...(27) HE21 GLN 55 + HE2 LYS 68 OK 42 83 - 50 - 5203/3.7=10, 5567/1.8=9...(14) QE TYR 70 - HE2 LYS 68 OK 39 92 - 42 - 5567/1.8=8, 5525/3.7=7...(11) Peak 5570 from cnoeabs.peaks (6.67, 2.23, 40.80 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.95: QE TYR 32 + HE2 LYS 68 OK 95 100 - 95 - 5568/1.8=32, 5528/3.7=27...(16) Peak 5571 from cnoeabs.peaks (8.69, 1.99, 40.80 ppm; 5.81 A): 1 out of 2 assignments used, quality = 0.56: H TYR 32 + HE3 LYS 68 OK 56 97 - 58 - 6.4/5568=20, 4.4/5567=20...(5) H TYR 32 - HB2 LEU 23 poor 5 34 - 14 - 6.4/5568=4, 4.4/5567=4...(4) Peak 5572 from cnoeabs.peaks (8.13, 1.38, 17.66 ppm; 5.69 A): 2 out of 4 assignments used, quality = 0.94: H ALA 71 + QB ALA 69 OK 91 100 - 91 - 1065/4.4=41, 1002/3.6=29...(18) H LEU 30 + QB ALA 69 OK 36 92 - 39 - 4198/2.1=10, 1002/3.6=9...(9) H ALA 89 - QB ALA 69 OK 17 87 - 19 - 1057/2.9=4, 4198/2.1=4...(4) H MET 11 - QB ALA 69 OK 11 73 - 14 - 4.6/524=2, 4198/2.1=2...(5) Peak 5573 from cnoeabs.peaks (1.95, 1.38, 17.66 ppm; 3.40 A): 7 out of 14 assignments used, quality = 0.93: HG2 PRO 19 + QB ALA 69 OK 58 99 - 59 - 2.3/6188=16, 1.8/5574=10...(15) HB VAL 20 + QB ALA 69 OK 46 90 - 51 - 2.1/5582=11, ~4404=10...(11) HB2 PRO 19 + QB ALA 69 OK 38 68 - 56 - 3.0/6188=13, 2.3/5574=9...(14) QE MET 48 + QB ALA 69 OK 19 76 - 26 - 4886/4.4=11, 4865=3...(5) HB3 GLU 22 + QB ALA 69 OK 16 97 - 16 - 1.8/5574=2, 3.0/3117=2...(4) HG3 PRO 84 + QB ALA 69 OK 14 100 - 14 - 2.3/5574=2, 3.8/5584=2...(6) HB2 GLU 77 + QB ALA 69 OK 11 100 - 11 - 3.0/3117=2, 3264/2.1=2, ~3270=1 HB3 PRO 81 - QB ALA 69 lone 9 90 - 10 - ~5918=2, 2.3/5574=1 HB2 LEU 76 - QB ALA 69 lone 9 99 - 9 - 3.1/5582=2 HB2 GLN 58 - QB ALA 69 lone 7 99 - 7 - HB2 GLU 33 - QB ALA 69 lone 5 97 - 6 - HB VAL 47 - QB ALA 69 lone 5 76 - 7 - 4.4/4844=1, ~323=1 HG3 GLU 49 - QB ALA 69 lone 4 65 - 6 - 1.8/4974=1 HB2 GLU 51 - QB ALA 69 lone 4 93 - 4 - Peak 5574 from cnoeabs.peaks (1.86, 1.38, 17.66 ppm; 3.57 A): 6 out of 11 assignments used, quality = 0.89: HG3 PRO 19 + QB ALA 69 OK 60 100 - 60 - 2.3/6188=17, 4369/2.1=11...(12) HB VAL 66 + QB ALA 69 OK 52 81 - 64 - 3.0/4184=25, 2.1/5583=19...(12) HB3 PRO 84 + QB ALA 69 OK 15 98 - 15 - 2.3/5584=3, 2.3/5573=2...(6) HB2 GLU 22 + QB ALA 69 OK 13 81 - 16 - 1.8/5573=2, 3.0/3117=2...(4) HB ILE 35 + QB ALA 69 OK 12 97 - 12 - 4737/4.4=3, 3.0/5583=2...(5) HB3 GLU 37 + QB ALA 69 OK 12 100 - 12 - 3003/4184=1, 5576/2.1=1...(5) HG2 PRO 81 - QB ALA 69 lone 9 100 - 9 - 5576/2.1=2, 2.3/5573=1 HB2 GLU 49 - QB ALA 69 lone 5 87 - 6 - HB3 GLN 58 - QB ALA 69 lone 5 63 - 9 - 1.8/5573=1 HB3 LYS 78 - QB ALA 69 lone 5 99 - 5 - HB3 MET 11 - QB ALA 69 lone 2 60 - 4 - 4.2/524=1 Peak 5575 from cnoeabs.peaks (0.73, 3.87, 55.25 ppm; 3.21 A): 4 out of 7 assignments used, quality = 0.85: QG2 VAL 20 + HA ALA 69 OK 62 100 - 62 - 4404=27, 6203/3.0=13...(13) QG1 VAL 20 + HA ALA 69 OK 48 85 - 56 - 2.1/4404=18, 4.0/6190=9...(14) QD1 LEU 79 + HA ALA 69 OK 17 97 - 17 - 5582/2.1=4, ~5869=3...(5) QD1 LEU 12 + HA ALA 69 OK 11 85 - 13 - 5582/2.1=3, 5581/3.0=2...(4) QD2 LEU 76 - HA ALA 69 lone 9 97 - 9 - 5582/2.1=2, 5674/4201=1 HG2 LYS 26 - HA ALA 69 lone 6 81 - 8 - 5581/3.0=2, 5582/2.1=1 HG3 LYS 64 - HA ALA 69 lone 4 81 - 5 - 5582/2.1=1 Peak 5576 from cnoeabs.peaks (1.87, 3.87, 55.25 ppm; 4.63 A): 2 out of 12 assignments used, quality = 0.91: HG3 PRO 19 + HA ALA 69 OK 82 100 - 82 - 4369=24, ~6188=17...(16) HB VAL 66 + HA ALA 69 OK 52 68 - 77 - ~4184=23, ~5583=20...(13) HB3 PRO 84 - HA ALA 69 OK 20 93 - 21 - 5574/2.1=4, ~5584=3...(9) HG2 PRO 81 - HA ALA 69 OK 18 99 - 19 - 3.8/5918=5, 2.3/5577=2...(7) HB2 GLU 22 - HA ALA 69 OK 17 68 - 25 - 5574/2.1=3, 1555=2...(13) HB3 GLU 37 - HA ALA 69 OK 15 99 - 15 - 5574/2.1=3, ~5578=2...(6) HB ILE 35 - HA ALA 69 OK 12 100 - 11 - 5574/2.1=3, ~5583=3...(4) HB3 GLN 58 - HA ALA 69 poor 9 76 - 12 - 5288/4404=2, 1.8/6154=2...(5) HB3 LYS 78 - HA ALA 69 lone 9 100 - 9 - 4.0/364=2, 5574/2.1=1 HB2 GLU 49 - HA ALA 69 lone 6 76 - 7 - 5574/2.1=1 HB3 MET 11 - HA ALA 69 lone 3 73 - 4 - 4.0/4198=1 HB2 MET 11 - HA ALA 69 lone 2 68 - 4 - 4.0/4198=1 Peak 5577 from cnoeabs.peaks (1.98, 3.87, 55.25 ppm; 3.72 A): 3 out of 13 assignments used, quality = 0.93: HB2 PRO 19 + HA ALA 69 OK 63 100 - 63 - 3.5/6190=13, 2.3/4369=11...(20) HB3 PRO 19 + HA ALA 69 OK 61 99 - 62 - 3.5/6190=13, 2.3/4369=11...(19) HG2 PRO 19 + HA ALA 69 OK 54 90 - 60 - 1.8/4369=12, ~6188=11...(15) HE3 LYS 68 - HA ALA 69 OK 17 97 - 18 - 3.7/3115=4, 3107/2.1=2...(6) HB2 GLU 77 - HA ALA 69 OK 15 89 - 16 - 3264=2, 1.8/3270=2...(8) HB3 PRO 81 - HA ALA 69 OK 13 99 - 13 - 2.3/5918=5, 2.3/5576=2 HG2 PRO 84 - HA ALA 69 poor 9 83 - 11 - 2.3/5576=2, ~5574=2...(4) HG3 PRO 84 - HA ALA 69 poor 7 65 - 11 - 2.3/5576=2, ~5574=2...(4) HB2 GLN 58 - HA ALA 69 lone 7 92 - 8 - HB2 GLU 25 - HA ALA 69 lone 6 89 - 6 - 4165=1 HB2 LYS 78 - HA ALA 69 lone 5 87 - 5 - 4.0/364=2 HB2 GLU 51 - HA ALA 69 lone 4 99 - 4 - HB2 LEU 34 - HA ALA 69 lone 3 85 - 3 - Peak 5582 from cnoeabs.peaks (0.73, 1.38, 17.66 ppm; 3.42 A): 5 out of 7 assignments used, quality = 0.91: QG2 VAL 20 + QB ALA 69 OK 66 100 - 66 - 4404/2.1=19, 6203/2.9=15...(12) QG1 VAL 20 + QB ALA 69 OK 50 85 - 59 - 5575/2.1=11, ~4404=10...(14) QD1 LEU 79 + QB ALA 69 OK 25 97 - 25 - ~5869=4, 5575/2.1=4...(9) QD1 LEU 12 + QB ALA 69 OK 22 85 - 26 - 1190=4, 4267/6188=3...(10) QD2 LEU 76 + QB ALA 69 OK 12 97 - 13 - 5575/2.1=2, 5460/4184=1...(4) HG2 LYS 26 - QB ALA 69 poor 9 81 - 11 - 5581/2.9=2, 5541/4.4=2 HG3 LYS 64 - QB ALA 69 poor 8 81 - 10 - Peak 5583 from cnoeabs.peaks (1.13, 1.38, 17.66 ppm; 4.15 A): 3 out of 4 assignments used, quality = 0.83: QG1 VAL 66 + QB ALA 69 OK 77 98 - 78 - 3.2/4184=31, 5585/3.6=15...(17) QG2 THR 13 + QB ALA 69 OK 16 76 - 22 - 5585/3.6=6, 3001/4184=3...(5) HG12 ILE 35 + QB ALA 69 OK 12 89 - 13 - 3.0/5574=2, 4.2/5584=2...(4) HG3 LYS 14 - QB ALA 69 lone 5 65 - 7 - 5585/3.6=2, 3001/4184=1 Peak 5584 from cnoeabs.peaks (4.38, 1.38, 17.66 ppm; 5.03 A): 4 out of 5 assignments used, quality = 0.77: HA TYR 70 + QB ALA 69 OK 60 92 - 65 - 3.0/4056=24, ~328=17...(12) HA ARG 28 + QB ALA 69 OK 23 73 - 31 - 843/3.6=11, 3.0/4056=4...(10) HA PRO 84 + QB ALA 69 OK 16 90 - 18 - 2.3/5574=4, ~5576=2...(6) HA ILE 35 + QB ALA 69 OK 10 71 - 14 - 4.2/5583=4, 3.0/5574=3...(5) HA ARG 45 - QB ALA 69 lone 2 60 - 3 - Peak 5593 from cnoeabs.peaks (4.06, 2.98, 37.49 ppm; 3.93 A): 3 out of 3 assignments used, quality = 0.90: HA2 GLY 59 + HB2 TYR 70 OK 81 100 - 81 - 5320/1.8=27, 5321=24...(10) HA3 GLY 61 + HB2 TYR 70 OK 35 92 - 38 - 5596/1.8=10, 4692/2.5=7...(9) HA3 GLY 54 + HB2 TYR 70 OK 21 100 - 21 - 5596/1.8=6, 5151/2.5=5...(5) Peak 5594 from cnoeabs.peaks (3.95, 2.98, 37.49 ppm; 4.94 A): 3 out of 6 assignments used, quality = 0.87: HA ALA 71 + HB2 TYR 70 OK 67 85 - 79 - 3.0/4058=26, ~334=20...(12) HA ALA 72 + HB2 TYR 70 OK 54 93 - 58 - 5595/1.8=13, 2.9/3125=9...(12) HA3 GLY 16 + HB2 TYR 70 OK 13 71 - 18 - ~36=7, 3.0/37=5...(4) HA LEU 76 - HB2 TYR 70 lone 9 99 - 9 - 5595/1.8=2, ~5775=2...(4) HA LEU 23 - HB2 TYR 70 lone 4 90 - 5 - 5595/1.8=2 HA GLU 25 - HB2 TYR 70 lone 4 71 - 6 - 849/4.4=2, 5595/1.8=1 Peak 5595 from cnoeabs.peaks (3.95, 3.32, 37.49 ppm; 5.27 A): 4 out of 6 assignments used, quality = 0.92: HA ALA 71 + HB3 TYR 70 OK 73 85 - 86 - 3.0/334=30, 5657=23...(11) HA ALA 72 + HB3 TYR 70 OK 59 93 - 64 - 5594/1.8=16, 2.9/3131=9...(14) HA3 GLY 16 + HB3 TYR 70 OK 16 71 - 22 - 3.0/36=10, ~37=5...(5) HA LEU 76 + HB3 TYR 70 OK 11 99 - 11 - 5594/1.8=3, ~5775=2...(4) HA LEU 23 - HB3 TYR 70 lone 7 90 - 8 - 3.9/5601=3, 5594/1.8=1 HA GLU 25 - HB3 TYR 70 lone 5 71 - 7 - 849/4.4=2, 5594/1.8=1 Peak 5596 from cnoeabs.peaks (4.06, 3.32, 37.49 ppm; 3.79 A): 3 out of 3 assignments used, quality = 0.91: HA2 GLY 59 + HB3 TYR 70 OK 82 100 - 82 - 5320=34, 1.8/5325=24...(10) HA3 GLY 61 + HB3 TYR 70 OK 36 92 - 39 - 5593/1.8=9, 4692/2.5=7...(10) HA3 GLY 54 + HB3 TYR 70 OK 20 100 - 20 - 5593/1.8=6, 5151/2.5=4...(5) Peak 5597 from cnoeabs.peaks (1.77, 3.32, 37.49 ppm; 5.10 A): 5 out of 14 assignments used, quality = 1.00: HB2 LEU 73 + HB3 TYR 70 OK 86 95 - 91 - ~5707=18, 4206/3.0=17...(23) HB3 ARG 28 + HB3 TYR 70 OK 71 100 - 71 - 3.0/3132=13, ~3126=10...(22) QE MET 11 + HB3 TYR 70 OK 61 100 - 61 - 4246/2.5=31, 4247/4.4=19...(7) HB2 ARG 28 + HB3 TYR 70 OK 59 83 - 71 - 3.0/3132=13, ~3126=10...(22) QB ALA 74 + HB3 TYR 70 OK 50 98 - 51 - ~4209=21, ~1081=10...(13) HB2 ARG 27 - HB3 TYR 70 OK 41 98 - 41 - 1766/4.4=8, 4.2/3131=6...(13) HB3 GLN 55 - HB3 TYR 70 OK 33 89 - 37 - 4.5/3135=6, 2586/3.0=4...(13) HB3 MET 48 - HB3 TYR 70 OK 26 92 - 28 - 4908/4.4=5, ~4774=4...(11) HG3 GLU 37 - HB3 TYR 70 OK 17 81 - 20 - ~4775=6, 4774/2.5=3...(7) HB2 LYS 31 - HB3 TYR 70 OK 16 83 - 19 - 5.3/3133=2, 5.3/3133=1...(8) HB2 MET 48 - HB3 TYR 70 OK 15 65 - 23 - 4774/2.5=4, 4907/4.4=3...(9) HB2 LYS 91 - HB3 TYR 70 OK 12 68 - 17 - 3.0/5599=2, 3.0/5599=2...(7) HD3 LYS 78 - HB3 TYR 70 lone 6 89 - 7 - HB2 LYS 65 - HB3 TYR 70 lone 6 81 - 7 - Peak 5598 from cnoeabs.peaks (1.52, 3.32, 37.49 ppm; 5.79 A): 2 out of 16 assignments used, quality = 0.96: QB ALA 71 + HB3 TYR 70 OK 92 100 - 92 - 2.9/334=32, 5658=31...(16) QB ALA 72 + HB3 TYR 70 OK 56 71 - 78 - 4.2/5658=18, 2.1/5595=15...(15) HG3 ARG 27 - HB3 TYR 70 OK 41 100 - 41 - 1790/4.4=10, 5.0/3131=7...(11) HD3 LYS 64 - HB3 TYR 70 OK 34 99 - 35 - 5446/2.5=6, ~5442=6...(10) HG LEU 30 - HB3 TYR 70 OK 34 78 - 44 - 1897/4.4=7, ~5607=7...(10) HB3 LYS 26 - HB3 TYR 70 OK 32 100 - 32 - 3868/4.4=7, ~4699=3...(11) HB3 LYS 44 - HB3 TYR 70 OK 29 76 - 38 - 4796/2.5=7, ~4797=6...(11) HB2 LYS 56 - HB3 TYR 70 OK 26 89 - 29 - ~5224=7, 1.8/5599=3...(10) HD2 LYS 56 - HB3 TYR 70 OK 24 93 - 25 - ~5224=5, 3.4/5599=3...(10) HG2 GLU 37 - HB3 TYR 70 OK 23 90 - 25 - 4775/2.5=9, ~4774=4...(9) HG LEU 34 - HB3 TYR 70 OK 16 100 - 16 - ~4685=4, ~4689=3, 5588/4.0=1 HB2 LEU 85 - HB3 TYR 70 OK 12 100 - 12 - ~5608=1, 5588/4.0=1...(5) HD2 LYS 17 - HB3 TYR 70 OK 11 98 - 11 - 5328/5325=2, 5322/5320=2 HD3 LYS 17 - HB3 TYR 70 OK 11 98 - 11 - 5328/5325=2, 5322/5320=2 HB3 LEU 87 - HB3 TYR 70 OK 11 93 - 11 - ~5608=2, ~6137=1, 5588/4.0=1 HB2 ARG 45 - HB3 TYR 70 lone 8 98 - 8 - Peak 5599 from cnoeabs.peaks (1.36, 3.32, 37.49 ppm; 4.79 A): 4 out of 11 assignments used, quality = 0.95: QB ALA 67 + HB3 TYR 70 OK 80 93 - 85 - 2.1/4190=36, ~4188=25...(14) HG2 LYS 68 + HB3 TYR 70 OK 40 97 - 42 - 5525/4.4=7, ~4698=7...(10) HG2 LYS 44 + HB3 TYR 70 OK 33 95 - 35 - 4797/2.5=7, ~4796=4...(11) QB ALA 69 + HB3 TYR 70 OK 33 63 - 53 - 3.6/845=29, 5584/3.0=10...(7) HB2 LYS 64 - HB3 TYR 70 OK 24 100 - 24 - ~5442=4, 4695/2.5=4...(8) HB3 LYS 56 - HB3 TYR 70 OK 20 81 - 24 - 5224/3.0=5, 5604/1.8=3...(10) HG2 LYS 91 - HB3 TYR 70 OK 20 99 - 19 - 4695/2.5=3, 3.8/3133=2...(8) HG3 LYS 91 - HB3 TYR 70 OK 20 99 - 19 - 4695/2.5=3, 3.8/3133=2...(8) QB ALA 89 - HB3 TYR 70 OK 13 100 - 12 - 2.9/4059=3, ~4058=2...(6) HB3 LEU 12 - HB3 TYR 70 OK 12 85 - 14 - 4695/2.5=2, 5604/1.8=2...(6) QB ALA 86 - HB3 TYR 70 lone 2 90 - 2 - Peak 5600 from cnoeabs.peaks (1.10, 3.32, 37.49 ppm; 5.92 A): 3 out of 4 assignments used, quality = 0.90: QG1 VAL 66 + HB3 TYR 70 OK 78 87 - 90 - ~4697=38, 4696/2.5=33...(10) QG2 THR 13 + HB3 TYR 70 OK 40 100 - 40 - 5616/2.5=12, 4687/4.4=10...(7) HG3 LYS 14 + HB3 TYR 70 OK 21 100 - 21 - 5616/2.5=5, 4687/4.4=4...(6) QG2 THR 38 - HB3 TYR 70 lone 5 85 - 6 - Peak 5601 from cnoeabs.peaks (0.79, 3.32, 37.49 ppm; 5.39 A): 3 out of 6 assignments used, quality = 0.94: QD1 LEU 73 + HB3 TYR 70 OK 84 90 - 93 - ~5707=25, 5713/3.0=22...(22) HG3 LYS 68 + HB3 TYR 70 OK 42 97 - 44 - 5644/4.4=10, 5527/4.4=9...(10) QD1 LEU 30 + HB3 TYR 70 OK 30 78 - 39 - 1904/4.4=6, ~5608=6...(10) QD2 LEU 79 - HB3 TYR 70 OK 23 99 - 23 - 5873/4.4=7, 5617/2.5=4...(6) QD1 LEU 23 - HB3 TYR 70 OK 19 100 - 19 - 5644/4.4=4, 5617/2.5=3...(6) QG1 VAL 47 - HB3 TYR 70 poor 9 57 - 16 - 5644/4.4=4, ~4698=3...(6) Peak 5602 from cnoeabs.peaks (1.77, 2.98, 37.49 ppm; 6.07 A): 6 out of 14 assignments used, quality = 1.00: HB2 LEU 73 + HB2 TYR 70 OK 83 87 - 96 - ~5707=24, 3.1/6106=23...(22) HB3 ARG 28 + HB2 TYR 70 OK 81 100 - 81 - 3.0/3126=15, ~3132=12...(23) HB2 ARG 28 + HB2 TYR 70 OK 75 92 - 82 - 3.0/3126=15, ~3132=12...(22) QE MET 11 + HB2 TYR 70 OK 72 100 - 72 - 4246/2.5=38, 4247/4.4=25...(11) QB ALA 74 + HB2 TYR 70 OK 62 100 - 62 - ~4209=30, ~1081=14...(13) HB2 ARG 27 + HB2 TYR 70 OK 50 100 - 50 - 1766/4.4=11, 4.2/3125=8...(13) HB3 GLN 55 - HB2 TYR 70 OK 35 78 - 45 - 4.5/3129=8, 3.0/3126=5...(13) HB3 MET 48 - HB2 TYR 70 OK 27 83 - 32 - 4908/4.4=6, ~4774=5...(10) HG3 GLU 37 - HB2 TYR 70 OK 25 90 - 28 - ~4775=8, 4774/2.5=5...(9) HB2 MET 48 - HB2 TYR 70 OK 25 78 - 32 - 4774/2.5=6, 4907/4.4=5...(11) HB2 LYS 31 - HB2 TYR 70 OK 19 92 - 20 - 5609/4.4=2, 5590/4.0=2...(10) HB2 LYS 91 - HB2 TYR 70 OK 15 81 - 19 - ~5599=2, ~4695=2...(8) HD3 LYS 78 - HB2 TYR 70 lone 8 96 - 9 - 5816/6106=1, 5609/4.4=1 HB2 LYS 65 - HB2 TYR 70 lone 8 90 - 9 - 5609/4.4=1 Peak 5603 from cnoeabs.peaks (1.54, 2.98, 37.49 ppm; 5.17 A): 5 out of 10 assignments used, quality = 0.94: QB ALA 71 + HB2 TYR 70 OK 73 85 - 86 - 2.9/4058=27, ~334=22...(16) HG LEU 30 + HB2 TYR 70 OK 37 100 - 37 - 1897/4.4=7, ~5607=5...(11) HB3 LYS 44 + HB2 TYR 70 OK 34 100 - 33 - 4796/2.5=9, ~4797=5...(12) HG3 ARG 27 + HB2 TYR 70 OK 26 81 - 32 - 1790/4.4=7, 5.0/3125=6...(10) HD3 LYS 64 + HB2 TYR 70 OK 25 92 - 27 - ~5442=5, 5446/2.5=5...(9) HD2 LYS 56 - HB2 TYR 70 OK 22 99 - 22 - ~5224=4, 3.4/5604=2...(10) HB3 LYS 26 - HB2 TYR 70 OK 21 81 - 25 - 3868/4.4=5, 4.3/4058=3...(9) HG LEU 34 - HB2 TYR 70 poor 9 73 - 12 - ~4685=3, ~4689=2, 5588/4.0=1 HB3 LEU 87 - HB2 TYR 70 lone 8 99 - 8 - ~5608=1 HB2 LEU 85 - HB2 TYR 70 lone 6 68 - 9 - ~5608=1, 5356/5355=1...(4) Peak 5604 from cnoeabs.peaks (1.37, 2.98, 37.49 ppm; 4.85 A): 3 out of 12 assignments used, quality = 0.96: QB ALA 67 + HB2 TYR 70 OK 87 100 - 87 - 2.1/4188=34, ~4190=27...(14) QB ALA 69 + HB2 TYR 70 OK 51 89 - 58 - 3.6/844=26, 5584/3.0=15...(8) HG2 LYS 68 + HB2 TYR 70 OK 44 100 - 44 - 5525/4.4=7, ~4698=7...(10) HG2 LYS 44 - HB2 TYR 70 OK 38 100 - 38 - 4797/2.5=7, ~4796=4...(13) HB2 LYS 64 - HB2 TYR 70 OK 26 99 - 26 - ~5442=4, 4695/2.5=4...(9) HB3 LYS 56 - HB2 TYR 70 OK 25 97 - 26 - 5224/3.0=6, 4695/2.5=3...(9) HB3 LEU 12 - HB2 TYR 70 OK 16 99 - 16 - 4695/2.5=2, 330/4.0=2...(8) HD3 LYS 56 - HB2 TYR 70 OK 16 71 - 22 - ~5224=3, 1.8/5603=3...(10) HG2 LYS 91 - HB2 TYR 70 OK 15 89 - 17 - 4695/2.5=3, 5599/1.8=2...(6) HG3 LYS 91 - HB2 TYR 70 OK 15 89 - 17 - 4695/2.5=3, 5599/1.8=2...(6) QB ALA 89 - HB2 TYR 70 OK 13 96 - 13 - 2.9/4058=3, ~4059=2...(6) QB ALA 86 - HB2 TYR 70 lone 2 65 - 2 - Peak 5606 from cnoeabs.peaks (1.38, 4.40, 61.49 ppm; 5.42 A): 2 out of 10 assignments used, quality = 0.95: QB ALA 67 + HA TYR 70 OK 81 95 - 86 - ~4190=25, ~4188=24...(12) QB ALA 69 + HA TYR 70 OK 75 100 - 75 - 4056/3.0=26, 5584=25...(12) HG2 LYS 68 - HA TYR 70 OK 33 90 - 37 - 5642/3.6=7, 330/3.0=7...(11) HB3 LYS 56 - HA TYR 70 OK 31 99 - 32 - 5224=9, 5642/3.6=3...(13) HD3 LYS 56 - HA TYR 70 OK 27 98 - 27 - 3.4/5224=6, 330/3.0=3...(12) HG2 LYS 44 - HA TYR 70 OK 25 93 - 26 - 4797/3.7=7, 5604/3.0=3...(10) HG2 LYS 31 - HA TYR 70 OK 18 73 - 24 - 3.6/3121=3, 3.6/3121=3...(6) HB3 LEU 12 - HA TYR 70 OK 16 99 - 16 - 330/3.0=2, 3.1/5607=2...(8) HB2 LYS 64 - HA TYR 70 OK 12 78 - 15 - 5642/3.6=3, 4695/3.7=3...(6) QB ALA 89 - HA TYR 70 OK 10 63 - 16 - 2.9/4057=3, ~4059=2...(6) Peak 5607 from cnoeabs.peaks (0.76, 4.40, 61.49 ppm; 4.02 A): 5 out of 9 assignments used, quality = 0.90: QD1 LEU 73 + HA TYR 70 OK 72 89 - 82 - 4.6/4209=17, 5713=16...(21) QD1 LEU 30 + HA TYR 70 OK 35 97 - 36 - 2.1/5608=6, 1904/3.6=5...(11) HG2 LYS 26 + HA TYR 70 OK 21 97 - 22 - 3869/3.6=3, 4699/3.7=3...(8) QG1 VAL 20 + HA TYR 70 OK 17 95 - 18 - ~4412=5, 4417/3.0=4...(5) QG2 VAL 20 + HA TYR 70 OK 10 60 - 17 - 4412/3.0=5, ~4417=3...(5) QD1 LEU 23 - HA TYR 70 poor 9 60 - 14 - 5587/3.0=2, 348/4209=2...(6) QD1 LEU 12 - HA TYR 70 lone 8 95 - 9 - 5587/3.0=1, 4699/3.7=1 QD2 LEU 79 - HA TYR 70 poor 8 68 - 12 - 5587/3.0=3, 4699/3.7=2 QD1 LEU 79 - HA TYR 70 lone 6 78 - 8 - ~5587=2, ~5601=1 Peak 5608 from cnoeabs.peaks (0.85, 4.40, 61.49 ppm; 4.25 A): 5 out of 8 assignments used, quality = 0.90: QD2 LEU 73 + HA TYR 70 OK 75 90 - 83 - 4.6/4209=19, 5707/3.7=18...(20) QD2 LEU 30 + HA TYR 70 OK 32 95 - 34 - 2.1/5607=7, 1911/3.6=6...(9) QB ALA 75 + HA TYR 70 OK 23 95 - 24 - 5743/4209=8, 4218/4.9=4...(5) HD2 LYS 26 + HA TYR 70 OK 14 99 - 15 - 3.0/5607=4, 4689/5.7=2...(4) QD2 LEU 87 + HA TYR 70 OK 11 96 - 12 - 2.1/6137=2, 4.8/4446=1 QD2 LEU 85 - HA TYR 70 poor 9 85 - 10 - 2.1/6137=1 QG2 VAL 47 - HA TYR 70 lone 6 92 - 7 - 4689/5.7=1 QD1 LEU 76 - HA TYR 70 lone 4 71 - 5 - 6048/4.9=2 Peak 5609 from cnoeabs.peaks (1.78, 6.80, 117.91 ppm; 5.00 A): 5 out of 15 assignments used, quality = 0.96: QE MET 11 + QE TYR 70 OK 66 93 - 71 - 4246/2.2=29, 4247=29...(11) HB2 LEU 73 + QE TYR 70 OK 49 60 - 81 - 3.1/5708=24, ~5707=18...(14) HB2 ARG 28 + QE TYR 70 OK 44 100 - 44 - 3.0/3138=9, ~4577=8...(11) HB3 ARG 28 + QE TYR 70 OK 41 90 - 45 - 3.0/3138=9, ~4577=8...(11) HB2 MET 48 + QE TYR 70 OK 38 96 - 40 - 4907=8, 1.8/4908=7...(8) HB2 ARG 27 - QE TYR 70 OK 29 99 - 29 - 3.5/4539=6, 4.2/3137=5...(9) HG3 GLU 37 - QE TYR 70 OK 28 100 - 28 - ~4775=6, 4907=6...(7) HB2 LYS 31 - QE TYR 70 OK 21 100 - 21 - 4.1/654=4, 3.0/4598=4...(6) QB ALA 74 - QE TYR 70 OK 20 99 - 20 - 5733/6.5=4, 4693/2.2=2...(6) HB2 LYS 91 - QE TYR 70 OK 16 97 - 16 - 3.0/5620=2, 5.0/4684=2...(7) HD3 LYS 78 - QE TYR 70 OK 13 100 - 13 - 2.9/5832=2, 2.9/5832=2...(4) HB2 LYS 65 - QE TYR 70 OK 13 100 - 13 - 4.4/5476=5, 1.8/2591=2 HG LEU 76 - QE TYR 70 lone 6 71 - 8 - ~5775=2, ~5777=1 HG2 GLU 51 - QE TYR 70 lone 3 71 - 5 - HG3 GLU 51 - QE TYR 70 lone 3 68 - 5 - Peak 5610 from cnoeabs.peaks (1.87, 6.80, 117.91 ppm; 5.70 A): 5 out of 12 assignments used, quality = 0.94: HB VAL 66 + QE TYR 70 OK 64 68 - 95 - 2.1/4688=45, ~4697=38...(12) HB3 PRO 84 + QE TYR 70 OK 43 93 - 46 - 2.3/4683=12, 1.8/4249=9...(12) HG3 PRO 19 + QE TYR 70 OK 39 100 - 40 - ~4691=9, 2.3/5619=8...(8) HB3 MET 11 + QE TYR 70 OK 34 73 - 46 - 4.3/4247=23, 3.0/4250=16 HB2 MET 11 + QE TYR 70 OK 31 68 - 46 - 4.3/4247=23, 3.0/4250=16 HB ILE 35 - QE TYR 70 OK 30 100 - 30 - 3.0/4683=8, 2.1/5614=6...(8) HB3 GLU 37 - QE TYR 70 OK 29 99 - 29 - ~4775=7, 3.0/4907=5...(12) HG2 PRO 81 - QE TYR 70 OK 17 99 - 17 - 2.3/4250=4, 3.8/3138=3...(4) HB3 LYS 78 - QE TYR 70 OK 16 100 - 16 - 4.4/5832=2, 4.4/5832=2...(6) HB2 GLU 49 - QE TYR 70 lone 7 76 - 10 - HB2 GLU 22 - QE TYR 70 lone 6 68 - 9 - 4450/4687=1, 6147/5708=1 HB3 GLN 58 - QE TYR 70 lone 6 76 - 7 - Peak 5611 from cnoeabs.peaks (1.37, 6.80, 117.91 ppm; 5.08 A): 3 out of 11 assignments used, quality = 0.97: QB ALA 67 + QE TYR 70 OK 78 100 - 78 - 2.1/5486=23, ~4691=20...(13) HG2 LYS 68 + QE TYR 70 OK 70 100 - 70 - 5525=14, 1.8/5527=12...(19) QB ALA 69 + QE TYR 70 OK 49 95 - 51 - 3.6/846=14, 5584/5.7=11...(10) HG2 LYS 44 - QE TYR 70 OK 36 100 - 36 - 4797/2.2=8, ~4796=5...(9) HB2 LYS 64 - QE TYR 70 OK 26 96 - 27 - ~5442=5, ~5440=4...(8) HB3 LYS 56 - QE TYR 70 OK 21 100 - 21 - 5224/5.7=4, 4695/2.2=3...(6) HB3 LEU 12 - QE TYR 70 OK 20 100 - 20 - 4275/4687=2, 3.1/4690=2...(6) HG3 LYS 91 - QE TYR 70 OK 16 78 - 20 - 4695/2.2=3, 3.8/4684=3...(9) HG2 LYS 91 - QE TYR 70 OK 16 78 - 20 - 4695/2.2=3, 3.8/4684=3...(9) HD3 LYS 56 - QE TYR 70 OK 12 83 - 14 - ~4695=2, 5606/5.7=1...(5) QB ALA 89 - QE TYR 70 lone 6 88 - 7 - 4695/2.2=1, 5604/4.4=1 Peak 5612 from cnoeabs.peaks (1.11, 6.80, 117.91 ppm; 3.23 A): 2 out of 4 assignments used, quality = 0.76: QG1 VAL 66 + QE TYR 70 OK 70 100 - 70 - 5472=22, 4696/2.2=21...(12) QG2 THR 13 + QE TYR 70 OK 21 95 - 22 - 4696/2.2=7, 5472=6...(6) HG3 LYS 14 - QE TYR 70 lone 7 90 - 8 - 4696/2.2=3 HG12 ILE 35 - QE TYR 70 lone 6 63 - 9 - 4.2/4683=2, 3.2/4689=2 Peak 5613 from cnoeabs.peaks (1.03, 6.80, 117.91 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.85: QG2 VAL 66 + QE TYR 70 OK 85 99 - 86 - 4697/2.2=41, 2.1/4687=34...(12) QD2 LEU 34 - QE TYR 70 poor 9 65 - 13 - 4685/2.2=3, ~4689=2...(4) Peak 5614 from cnoeabs.peaks (0.82, 6.80, 117.91 ppm; 4.39 A): 6 out of 8 assignments used, quality = 0.91: QD2 LEU 73 + QE TYR 70 OK 70 90 - 78 - 5708=28, 5707/2.2=26...(12) HG3 LYS 68 + QE TYR 70 OK 44 80 - 54 - 5527=10, 1.8/5525=10...(12) QG2 ILE 35 + QE TYR 70 OK 21 100 - 21 - 3.2/4683=6, 4698/2.2=4...(4) QG1 VAL 47 + QE TYR 70 OK 14 100 - 14 - 4698/2.2=4, ~4698=2, 5357/4682=1 QG2 VAL 47 + QE TYR 70 OK 12 88 - 13 - 4698/2.2=3, ~4698=2...(4) HD2 LYS 26 + QE TYR 70 OK 10 68 - 15 - 3.0/4690=4, ~4699=2...(4) QD2 LEU 85 - QE TYR 70 lone 7 94 - 7 - 4.7/4682=2, 4698/2.2=2 QD2 LEU 87 - QE TYR 70 lone 4 83 - 5 - 4698/2.2=1 Peak 5615 from cnoeabs.peaks (0.78, 6.80, 117.91 ppm; 4.45 A): 3 out of 5 assignments used, quality = 0.93: QD1 LEU 73 + QE TYR 70 OK 85 100 - 85 - 2.1/5708=24, 5709=23...(15) HG3 LYS 68 + QE TYR 70 OK 43 78 - 54 - 1.8/5525=10, 5527=10...(14) QD2 LEU 79 + QE TYR 70 OK 25 100 - 25 - 5873=10, 4699/2.2=4...(5) QD1 LEU 30 - QE TYR 70 OK 23 96 - 23 - 4699/2.2=6, 4585/5047=3...(8) QD1 LEU 23 - QE TYR 70 OK 16 99 - 16 - 4699/2.2=3, 4481/5047=2...(5) Peak 5616 from cnoeabs.peaks (1.11, 7.33, 133.00 ppm; 4.92 A): 3 out of 3 assignments used, quality = 0.92: QG1 VAL 66 + QD TYR 70 OK 85 90 - 95 - 2.1/4697=40, 4687/2.2=34...(15) QG2 THR 13 + QD TYR 70 OK 40 90 - 45 - 4687/2.2=11, 5471=8...(11) HG3 LYS 14 + QD TYR 70 OK 18 86 - 20 - 4687/2.2=4, 5600/2.5=4...(7) Peak 5617 from cnoeabs.peaks (0.79, 7.33, 133.00 ppm; 6.20 A): 3 out of 6 assignments used, quality = 0.93: QD1 LEU 73 + QD TYR 70 OK 76 79 - 97 - 2.1/5707=34, ~5708=26...(20) HG3 LYS 68 + QD TYR 70 OK 60 86 - 70 - 5527/2.2=13, 5644/4.5=12...(15) QD2 LEU 79 + QD TYR 70 OK 28 90 - 31 - 5873/2.2=10, 5601/2.5=5...(8) QD1 LEU 30 - QD TYR 70 OK 26 67 - 39 - 1904/4.5=7, 5601/2.5=7...(11) QD1 LEU 23 - QD TYR 70 OK 23 91 - 25 - 5644/4.5=4, 5601/2.5=4...(8) QG1 VAL 47 - QD TYR 70 poor 9 48 - 18 - 5644/4.5=5, ~4689=4...(4) Peak 5618 from cnoeabs.peaks (3.81, 7.33, 133.00 ppm; 6.20 A): 3 out of 4 assignments used, quality = 0.95: HA ALA 67 + QD TYR 70 OK 86 90 - 96 - 4190/2.5=40, 4188/2.5=36...(19) HD3 PRO 19 + QD TYR 70 OK 43 79 - 55 - 1066/4.5=13, 1060/4.6=12...(13) HD2 PRO 84 + QD TYR 70 OK 42 89 - 47 - 5619/2.2=10, 4191/2.5=8...(9) HA2 GLY 29 - QD TYR 70 OK 16 64 - 26 - 3889/4.5=9, 4578/3.7=8...(5) Peak 5619 from cnoeabs.peaks (3.81, 6.80, 117.91 ppm; 6.20 A): 3 out of 4 assignments used, quality = 0.97: HA ALA 67 + QE TYR 70 OK 91 99 - 92 - 4190/4.4=34, 5486=33...(14) HD2 PRO 84 + QE TYR 70 OK 49 99 - 49 - 3.6/4683=11, 3.0/4249=9...(9) HD3 PRO 19 + QE TYR 70 OK 44 90 - 49 - 4691/2.2=12, 4191/4.4=10...(12) HA2 GLY 29 - QE TYR 70 OK 12 76 - 16 - 4578/5.7=6, 5618/2.2=3 Peak 5620 from cnoeabs.peaks (4.09, 6.80, 117.91 ppm; 5.99 A): 6 out of 6 assignments used, quality = 0.86: HA3 GLY 61 + QE TYR 70 OK 54 95 - 57 - ~5385=17, 5151/2.2=15...(12) HA2 GLY 59 + QE TYR 70 OK 35 63 - 56 - 5320/4.4=18, 4692/2.2=15...(7) HA3 GLY 54 + QE TYR 70 OK 23 78 - 29 - 5151/2.2=10, 5387=6...(7) HA LYS 14 + QE TYR 70 OK 16 94 - 17 - 5462/4688=4, 4.0/4687=4...(4) HA LYS 26 + QE TYR 70 OK 15 90 - 17 - 4.1/4690=5, 5.2/4689=4 HA LYS 91 + QE TYR 70 OK 15 92 - 16 - 6.1/4684=2, 6.1/4684=2...(6) Peak 5622 from cnoeabs.peaks (8.58, 1.52, 16.95 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.95: H LEU 73 + QB ALA 71 OK 78 98 - 80 - 1004/3.7=23, 4065/4.2=22...(15) H GLY 29 + QB ALA 71 OK 76 100 - 76 - 1067/2.9=18, 1004/3.7=17...(15) Peak 5623 from cnoeabs.peaks (8.84, 1.52, 16.95 ppm; 3.47 A): 1 out of 1 assignment used, quality = 0.84: H GLY 59 + QB ALA 71 OK 84 100 - 84 - 5626/2.1=23, 3.6/5639=21...(22) Peak 5624 from cnoeabs.peaks (9.18, 1.52, 16.95 ppm; 4.07 A): 2 out of 2 assignments used, quality = 0.68: H VAL 50 + QB ALA 71 OK 62 85 - 74 - 3.6/5640=26, 4.0/5662=18...(14) H ASP 53 + QB ALA 71 OK 14 65 - 21 - 4.1/5652=3, 2491/5662=2...(7) Peak 5625 from cnoeabs.peaks (9.44, 1.52, 16.95 ppm; 5.49 A): 2 out of 2 assignments used, quality = 0.94: H GLU 49 + QB ALA 71 OK 85 100 - 85 - 3.0/5640=46, 4.6/5624=29...(22) H GLU 33 + QB ALA 71 OK 61 99 - 62 - 4.6/5637=21...(16) Peak 5626 from cnoeabs.peaks (8.83, 3.97, 55.37 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.93: H GLY 59 + HA ALA 71 OK 93 100 - 93 - 5623/2.1=44, 5318=30...(14) Peak 5628 from cnoeabs.peaks (5.80, 3.97, 55.37 ppm; 4.58 A): 1 out of 1 assignment used, quality = 0.84: HA GLN 58 + HA ALA 71 OK 84 100 - 84 - 5639/2.1=45, 3.6/5626=31...(11) Peak 5629 from cnoeabs.peaks (7.14, 3.97, 55.37 ppm; 5.30 A): 3 out of 4 assignments used, quality = 0.63: QD PHE 57 + HA ALA 71 OK 54 87 - 62 - 2.5/5656=22, 2.5/5264=14...(17) HD2 HIS 15 + HA ALA 71 OK 11 65 - 16 - 4.0/5657=11, 1320/5657=1 H MET 21 + HA ALA 71 OK 10 89 - 11 - 3.5/4391=3, 1020=2...(4) HD22 ASN 18 - HA ALA 71 lone 4 90 - 5 - Peak 5632 from cnoeabs.peaks (7.99, 1.52, 16.95 ppm; 5.36 A): 2 out of 2 assignments used, quality = 0.82: H LYS 68 + QB ALA 71 OK 79 97 - 82 - 3.0/4196=48, ~1065=27...(11) H ASP 43 + QB ALA 71 OK 16 100 - 16 - 3023/4196=7, 3063/5661=2...(4) Peak 5633 from cnoeabs.peaks (7.80, 1.52, 16.95 ppm; 5.83 A): 1 out of 1 assignment used, quality = 0.94: H ALA 74 + QB ALA 71 OK 94 100 - 95 - 4211/2.1=50, 1072/3.7=43...(21) Peak 5634 from cnoeabs.peaks (7.53, 1.52, 16.95 ppm; 5.85 A): 2 out of 3 assignments used, quality = 0.96: H ALA 69 + QB ALA 71 OK 91 99 - 92 - 3.6/4196=48, 1057/2.9=27...(14) HE22 GLN 55 + QB ALA 71 OK 51 98 - 52 - 5685/3.7=11, 1.7/5637=10...(12) H ASN 63 - QB ALA 71 OK 41 99 - 42 - 1064/2.9=9, 5685/3.7=7...(10) Peak 5637 from cnoeabs.peaks (6.81, 1.52, 16.95 ppm; 3.87 A): 3 out of 3 assignments used, quality = 0.89: QD TYR 32 + QB ALA 71 OK 78 99 - 79 - 2.2/5638=37...(16) QE TYR 70 + QB ALA 71 OK 34 98 - 34 - 4.4/5658=8, 5687/3.7=5...(10) HE21 GLN 55 + QB ALA 71 OK 27 93 - 29 - 1.7/5634=4, 5697/4.2=4...(8) Peak 5638 from cnoeabs.peaks (6.65, 1.52, 16.95 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.70: QE TYR 32 + QB ALA 71 OK 70 95 - 74 - 5688/3.7=22, 5698/4.2=19...(12) Peak 5639 from cnoeabs.peaks (5.80, 1.52, 16.95 ppm; 3.73 A): 1 out of 1 assignment used, quality = 0.76: HA GLN 58 + QB ALA 71 OK 76 98 - 77 - 3.6/5623=26, 5628/2.1=24...(20) Peak 5640 from cnoeabs.peaks (5.68, 1.52, 16.95 ppm; 4.07 A): 1 out of 1 assignment used, quality = 0.66: HA GLU 49 + QB ALA 71 OK 66 98 - 68 - 3.6/5624=22...(16) Peak 5641 from cnoeabs.peaks (8.61, 3.97, 55.37 ppm; 4.97 A): 2 out of 2 assignments used, quality = 0.51: H GLY 29 + HA ALA 71 OK 45 73 - 62 - 967/3.0=14, 4575/2.1=9...(13) H VAL 47 + HA ALA 71 OK 11 92 - 12 - 263/5626=3, 4827/2.1=3...(4) Peak 5650 from cnoeabs.peaks (4.44, 3.97, 55.37 ppm; 4.36 A): 3 out of 4 assignments used, quality = 0.94: HA3 GLY 59 + HA ALA 71 OK 92 100 - 93 - 3.0/5626=32, 6045=31...(15) HA LYS 17 + HA ALA 71 OK 18 98 - 18 - 5649/3.0=4, 3.0/41=3...(7) HA GLN 55 + HA ALA 71 OK 10 71 - 14 - 5651/2.1=3, 5649/3.0=3...(5) HA PRO 81 - HA ALA 71 poor 10 60 - 16 - 5915/3.0=4, 3.6/5655=3...(5) Peak 5651 from cnoeabs.peaks (4.43, 1.52, 16.95 ppm; 4.64 A): 3 out of 6 assignments used, quality = 0.95: HA3 GLY 59 + QB ALA 71 OK 76 81 - 95 - 3.0/5623=42, 5649/2.9=27...(16) HA TYR 70 + QB ALA 71 OK 54 63 - 86 - 3.6/850=17, 3.0/5658=14...(21) HA ARG 28 + QB ALA 71 OK 54 85 - 63 - 4568/2.9=15, 3.6/5622=14...(16) HA GLN 55 - QB ALA 71 OK 34 99 - 34 - 5.7/5637=4, 5.7/5634=4...(11) HA PRO 81 - QB ALA 71 OK 24 96 - 25 - 5915/2.9=8, 2.3/5664=3...(6) HA LYS 17 - QB ALA 71 OK 15 68 - 22 - 5650/2.1=4, 5649/2.9=4...(7) Peak 5652 from cnoeabs.peaks (2.80, 1.52, 16.95 ppm; 5.31 A): 4 out of 4 assignments used, quality = 0.86: HB3 PHE 57 + QB ALA 71 OK 68 100 - 68 - ~5629=18, 5656/2.1=13...(14) HE3 LYS 56 + QB ALA 71 OK 27 96 - 29 - 5015/5662=3, 4994/5624=3...(14) HE2 LYS 56 + QB ALA 71 OK 25 90 - 28 - 5015/5662=3, 4994/5624=2...(14) HB3 ASP 53 + QB ALA 71 OK 22 89 - 25 - 4.1/5624=7, 5656/2.1=4...(6) Peak 5653 from cnoeabs.peaks (2.51, 1.52, 16.95 ppm; 5.15 A): 4 out of 4 assignments used, quality = 0.93: HB2 TYR 32 + QB ALA 71 OK 64 100 - 64 - 4.4/5638=36, 2.5/5637=26...(7) HG2 MET 48 + QB ALA 71 OK 57 92 - 62 - 4880/4196=18, 3.0/5659=8...(21) HE3 LYS 26 + QB ALA 71 OK 32 100 - 32 - 3.0/5660=6, 4617/5638=3...(12) HE2 LYS 26 + QB ALA 71 OK 32 100 - 32 - 3.0/5660=6, 4617/5638=3...(12) Peak 5654 from cnoeabs.peaks (3.17, 1.52, 16.95 ppm; 5.69 A): 3 out of 5 assignments used, quality = 0.96: HB2 PHE 57 + QB ALA 71 OK 78 100 - 78 - 1.8/5652=21, ~5656=21...(17) HD2 ARG 27 + QB ALA 71 OK 65 87 - 75 - 5655/2.1=12, 3880/3.7=10...(25) HD2 ARG 28 + QB ALA 71 OK 47 100 - 47 - 1854/3.7=11, 5655/2.1=9...(10) HB2 PHE 80 - QB ALA 71 OK 31 96 - 32 - 5655/2.1=6, ~5892=4...(9) HD3 PRO 81 - QB ALA 71 OK 30 97 - 31 - 5655/2.1=6, 3.6/5651=4...(10) Peak 5655 from cnoeabs.peaks (3.17, 3.97, 55.37 ppm; 4.78 A): 5 out of 5 assignments used, quality = 0.95: HB2 PHE 57 + HA ALA 71 OK 67 100 - 67 - 2.5/5629=21, 1.8/5656=17...(16) HD2 ARG 27 + HA ALA 71 OK 53 87 - 61 - 3880/3.6=8, 5654/2.1=7...(23) HD2 ARG 28 + HA ALA 71 OK 40 100 - 40 - 1854/3.6=8, 1855/4.9=7...(10) HB2 PHE 80 + HA ALA 71 OK 27 96 - 28 - 1.8/5892=4, 5883=3...(10) HD3 PRO 81 + HA ALA 71 OK 27 97 - 27 - 5654/2.1=3, 3.6/5650=2...(11) Peak 5656 from cnoeabs.peaks (2.78, 3.97, 55.37 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.54: HB3 PHE 57 + HA ALA 71 OK 46 68 - 67 - 2.5/5629=31, 1.8/5264=19...(11) HB3 ASP 53 + HA ALA 71 OK 15 100 - 15 - 5652/2.1=4, 2559/4996=1...(4) Peak 5657 from cnoeabs.peaks (3.33, 3.97, 55.37 ppm; 5.46 A): 2 out of 2 assignments used, quality = 0.92: HB3 TYR 70 + HA ALA 71 OK 85 98 - 86 - 334/3.0=31, 5658/2.1=22...(11) HB2 HIS 15 + HA ALA 71 OK 51 100 - 51 - 334/3.0=15, 5658/2.1=13...(10) Peak 5658 from cnoeabs.peaks (3.33, 1.52, 16.95 ppm; 5.81 A): 2 out of 2 assignments used, quality = 0.95: HB3 TYR 70 + QB ALA 71 OK 89 98 - 90 - 334/2.9=32, 5657/2.1=27...(17) HB2 HIS 15 + QB ALA 71 OK 52 100 - 52 - 5657/2.1=16, 334/2.9=16...(11) Peak 5659 from cnoeabs.peaks (1.75, 1.52, 16.95 ppm; 3.57 A): 5 out of 9 assignments used, quality = 0.93: QB ALA 74 + QB ALA 71 OK 51 83 - 62 - ~4211=14, 2.9/5633=11...(17) HB3 MET 48 + QB ALA 71 OK 45 100 - 45 - 4877/4196=9, 4898=7...(15) HB2 ARG 27 + QB ALA 71 OK 40 83 - 48 - 4.2/4063=5, 1766/2.9=4...(20) HB3 ARG 28 + QB ALA 71 OK 36 97 - 37 - 4.6/5622=6, 4.0/4063=5...(11) HB2 LEU 73 + QB ALA 71 OK 36 100 - 36 - 4.4/5633=10, 3.9/5622=8...(10) HB3 GLN 55 - QB ALA 71 OK 20 99 - 20 - 4.5/5637=3, 4.5/5634=3...(5) QE MET 11 - QB ALA 71 OK 13 95 - 14 - 4252/3.7=2, 1152/2.9=2 HB3 LYS 65 - QB ALA 71 lone 6 83 - 7 - 5540/4196=2 HD3 LYS 78 - QB ALA 71 lone 3 63 - 5 - Peak 5660 from cnoeabs.peaks (0.89, 1.52, 16.95 ppm; 4.45 A): 5 out of 8 assignments used, quality = 0.96: HB3 LEU 30 + QB ALA 71 OK 62 100 - 63 - 4582/5663=10...(22) QD1 LEU 76 + QB ALA 71 OK 46 95 - 49 - 2.1/5662=12, 5673/4.2=8...(14) HD3 LYS 26 + QB ALA 71 OK 44 100 - 44 - 5668/3.7=5, 5673/4.2=5...(16) QB ALA 75 + QB ALA 71 OK 40 71 - 57 - ~4214=10, 5745/3.7=7...(16) QD2 LEU 23 + QB ALA 71 OK 39 85 - 46 - 6201/5638=11, 5673/4.2=9...(11) QD2 LEU 30 - QB ALA 71 OK 33 71 - 47 - 4586/5663=8, 4.8/3152=5...(16) QD1 LEU 87 - QB ALA 71 OK 15 100 - 15 - 5673/4.2=2, 5668/3.7=2 QD1 LEU 85 - QB ALA 71 OK 14 100 - 14 - 5673/4.2=2, 5668/3.7=2 Peak 5661 from cnoeabs.peaks (0.80, 1.52, 16.95 ppm; 4.37 A): 6 out of 6 assignments used, quality = 0.92: HG3 LYS 68 + QB ALA 71 OK 62 100 - 62 - 3.9/4196=32, 4.9/5632=14...(11) QD1 LEU 73 + QB ALA 71 OK 31 65 - 48 - 4.6/5633=16, 4.4/5622=11...(12) QG1 VAL 47 + QB ALA 71 OK 31 85 - 36 - 5978/5623=8, 5975/5639=7...(10) QD1 LEU 23 + QB ALA 71 OK 26 92 - 28 - 4481/5663=5, 2.1/5660=5...(7) QG2 ILE 35 + QB ALA 71 OK 22 81 - 27 - 5270/5639=3, 4961/5640=3...(10) QD2 LEU 79 + QB ALA 71 OK 19 87 - 22 - 5644/2.9=3, 3028/4196=3...(9) Peak 5662 from cnoeabs.peaks (0.69, 1.52, 16.95 ppm; 3.04 A): 3 out of 3 assignments used, quality = 0.73: QG1 VAL 50 + QB ALA 71 OK 58 100 - 58 - 5025=10, 4.0/5624=10...(16) QD2 LEU 76 + QB ALA 71 OK 23 81 - 29 - 5782/3.7=3, 6185=3...(12) HG3 LYS 64 + QB ALA 71 OK 16 97 - 16 - 2864=2, 5645/2.9=2...(5) Peak 5663 from cnoeabs.peaks (0.24, 1.52, 16.95 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.73: QG2 VAL 50 + QB ALA 71 OK 73 81 - 90 - 4.0/5624=31, 2.1/5662=30...(21) Peak 5664 from cnoeabs.peaks (1.95, 1.52, 16.95 ppm; 4.55 A): 4 out of 14 assignments used, quality = 0.97: HB2 GLN 58 + QB ALA 71 OK 83 99 - 84 - 2.9/5639=40, 4.3/5623=31...(14) HB2 LEU 76 + QB ALA 71 OK 46 99 - 46 - 3.1/5662=10, 3.1/5660=5...(14) HG2 PRO 19 + QB ALA 71 OK 43 99 - 43 - ~1066=6, 4380/4.2=5...(19) QE MET 48 + QB ALA 71 OK 40 76 - 53 - 4886/4196=12, 3.3/5653=8...(16) HG3 GLU 49 - QB ALA 71 OK 39 65 - 60 - 3.7/5640=32, 5.0/5625=10...(12) HB3 PRO 81 - QB ALA 71 OK 35 90 - 38 - 2738/5639=6, ~5915=5...(13) HB2 PRO 19 - QB ALA 71 OK 29 68 - 43 - ~1066=5, 5681/4.2=5...(21) HB2 GLU 33 - QB ALA 71 OK 25 97 - 26 - 4.1/5625=9, 2044/5625=2...(6) HB3 GLU 22 - QB ALA 71 OK 25 97 - 26 - 6120/4.2=3, ~4144=2...(10) HB VAL 20 - QB ALA 71 OK 21 90 - 24 - ~5645=4, 4618/5638=3...(9) HB2 GLU 51 - QB ALA 71 OK 20 93 - 21 - 5065/5663=8, 3.0/5057=2...(6) HG3 PRO 84 - QB ALA 71 OK 17 100 - 17 - ~1066=3, 2731/5639=1...(4) HB VAL 47 - QB ALA 71 OK 17 76 - 23 - 2.1/5661=6, 4.4/4843=4...(4) HB2 GLU 77 - QB ALA 71 OK 14 100 - 14 - ~1063=2, 6120/4.2=2...(4) Peak 5670 from cnoeabs.peaks (0.70, 3.96, 54.32 ppm; 3.62 A): 3 out of 3 assignments used, quality = 0.84: QG1 VAL 50 + HA ALA 72 OK 63 100 - 63 - 5017=19, 2.1/5671=16...(13) QD2 LEU 76 + HA ALA 72 OK 53 90 - 58 - 2.1/5768=12, 4.8/4219=10...(18) HG3 LYS 64 + HA ALA 72 OK 11 99 - 11 - 873/4219=1 Peak 5671 from cnoeabs.peaks (0.25, 3.96, 54.32 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.76: QG2 VAL 50 + HA ALA 72 OK 76 92 - 83 - 5675/2.1=35, 2.1/5670=25...(17) Peak 5672 from cnoeabs.peaks (1.26, 1.49, 17.66 ppm; 3.69 A): 6 out of 8 assignments used, quality = 0.83: HB3 LEU 23 + QB ALA 72 OK 55 99 - 56 - 1.8/6102=16, 3.1/5673=9...(16) HB2 LEU 79 + QB ALA 72 OK 25 93 - 27 - 3.1/5674=3, 3388=3...(11) HB3 LYS 68 + QB ALA 72 OK 22 65 - 33 - ~1071=10, 4.3/5694=7...(7) HG3 LYS 17 + QB ALA 72 OK 17 100 - 17 - 4.8/5693=3, 5676/2.1=1...(4) HG3 LYS 56 + QB ALA 72 OK 14 93 - 15 - 1.8/2641=1, 2.9/2631=1 HG2 LYS 17 + QB ALA 72 OK 10 65 - 16 - 4.8/5693=3, 5676/2.1=1...(4) HG3 LYS 65 - QB ALA 72 lone 8 100 - 8 - HD3 LYS 44 - QB ALA 72 lone 2 71 - 3 - Peak 5673 from cnoeabs.peaks (0.90, 1.49, 17.66 ppm; 3.12 A): 6 out of 6 assignments used, quality = 0.88: QD2 LEU 23 + QB ALA 72 OK 49 93 - 53 - 4478=10, 5768/2.1=9...(19) QD1 LEU 76 + QB ALA 72 OK 41 87 - 48 - 5768/2.1=10, 2.1/5674=8...(16) HB3 LEU 30 + QB ALA 72 OK 28 100 - 28 - 5768/2.1=5, 4590/5698=4...(7) HD3 LYS 26 + QB ALA 72 OK 28 100 - 28 - 5768/2.1=5, 5668/2.9=3...(10) QD1 LEU 87 + QB ALA 72 OK 11 99 - 11 - 5768/2.1=2, 5668/2.9=1 QD1 LEU 85 + QB ALA 72 OK 10 98 - 10 - 5768/2.1=2, 5668/2.9=1 Peak 5674 from cnoeabs.peaks (0.73, 1.49, 17.66 ppm; 2.91 A): 5 out of 7 assignments used, quality = 0.88: QG2 VAL 20 + QB ALA 72 OK 51 100 - 51 - 3.2/5682=15, 4400=11...(12) QD2 LEU 76 + QB ALA 72 OK 43 97 - 44 - 2.1/5673=7, 3251/2.1=6...(16) QG1 VAL 20 + QB ALA 72 OK 39 85 - 46 - 3.2/5682=15, 2.1/4400=7...(11) QD1 LEU 79 + QB ALA 72 OK 18 97 - 19 - 3.1/5672=3, 3409=2...(5) HG2 LYS 26 + QB ALA 72 OK 17 81 - 21 - 3.0/5673=4, 5669/2.9=2...(8) HG3 LYS 64 - QB ALA 72 lone 5 81 - 6 - QD1 LEU 12 - QB ALA 72 lone 5 85 - 6 - Peak 5675 from cnoeabs.peaks (0.25, 1.49, 17.66 ppm; 5.66 A): 1 out of 1 assignment used, quality = 0.88: QG2 VAL 50 + QB ALA 72 OK 88 97 - 91 - 5671/2.1=42, 5663/4.2=29...(16) Peak 5676 from cnoeabs.peaks (1.25, 3.96, 54.32 ppm; 5.48 A): 4 out of 9 assignments used, quality = 0.92: HB3 LEU 23 + HA ALA 72 OK 76 100 - 76 - ~6102=18, 5672/2.1=16...(21) HB2 LEU 79 + HA ALA 72 OK 42 100 - 42 - 5672/2.1=7, 4.6/5882=6...(15) HG2 LYS 17 + HA ALA 72 OK 23 90 - 26 - ~5672=5, 4.8/41=3...(6) HG3 LYS 17 + HA ALA 72 OK 22 90 - 25 - 5672/2.1=5, 4.8/41=3...(6) HD3 LYS 68 - HA ALA 72 OK 16 63 - 25 - 3.5/5677=7, ~5672=4...(6) HD2 LYS 68 - HA ALA 72 OK 15 60 - 25 - 3.5/5677=7, ~5672=4...(6) HG3 LYS 65 - HA ALA 72 OK 13 98 - 14 - 5672/2.1=2, 5773/5670=1 HG3 LYS 56 - HA ALA 72 OK 13 71 - 19 - 5672/2.1=4, 2.9/3157=2...(6) HG13 ILE 35 - HA ALA 72 lone 3 71 - 4 - Peak 5677 from cnoeabs.peaks (1.61, 3.96, 54.32 ppm; 5.27 A): 3 out of 13 assignments used, quality = 0.93: HG LEU 23 + HA ALA 72 OK 71 100 - 71 - ~6102=13, 2.1/5768=13...(16) HB2 LYS 68 + HA ALA 72 OK 54 99 - 54 - ~1071=23, 5522/5690=10...(10) HG LEU 73 + HA ALA 72 OK 48 98 - 49 - 858/3.6=16, ~5665=7...(9) HG LEU 87 - HA ALA 72 OK 22 100 - 22 - 858/3.6=4, 2.1/5768=3...(6) HG LEU 85 - HA ALA 72 OK 22 100 - 21 - 858/3.6=4, 2.1/5768=3...(6) HB2 LEU 87 - HA ALA 72 OK 18 97 - 19 - 3.1/5768=3, 858/3.6=3...(6) HB3 LEU 85 - HA ALA 72 OK 16 85 - 18 - 3.1/5768=3, ~5673=2...(5) HB2 LEU 12 - HA ALA 72 OK 11 97 - 12 - 1.8/4262=3, 3.1/4266=3 HD3 LYS 65 - HA ALA 72 lone 5 60 - 9 - 2.8/5676=2, ~5672=2, 3.5/5678=1 HD3 LYS 91 - HA ALA 72 lone 3 65 - 4 - HD2 LYS 91 - HA ALA 72 lone 3 63 - 4 - HD2 LYS 14 - HA ALA 72 lone 2 68 - 3 - HD3 LYS 14 - HA ALA 72 lone 2 65 - 3 - Peak 5678 from cnoeabs.peaks (1.79, 3.96, 54.32 ppm; 4.80 A): 4 out of 17 assignments used, quality = 0.99: QB ALA 74 + HA ALA 72 OK 78 87 - 90 - 2.9/4215=29, ~5692=22...(23) HG LEU 76 + HA ALA 72 OK 72 93 - 78 - 2.1/5670=20, 4.9/4219=17...(18) HB2 ARG 28 + HA ALA 72 OK 56 99 - 56 - 4.6/4064=9, 4.0/3155=7...(15) HB2 ARG 27 + HA ALA 72 OK 50 87 - 58 - 3876/2.9=7, 4.2/3155=7...(20) HB3 ARG 28 - HA ALA 72 OK 36 65 - 55 - 4.6/4064=9, 4.0/3155=7...(15) HB2 LYS 31 - HA ALA 72 OK 18 99 - 19 - 4604/5671=8, 5680/2.1=2 HG2 GLU 51 - HA ALA 72 OK 17 93 - 18 - ~5088=5, 3.0/5679=2...(6) HG3 GLU 51 - HA ALA 72 OK 17 92 - 18 - ~5088=5, 3.0/5679=2...(7) HB2 MET 48 - HA ALA 72 OK 15 100 - 15 - 5666/2.9=2, 5680/2.1=2...(4) HD3 LYS 78 - HA ALA 72 OK 14 97 - 15 - 6.2/1097=2, 5680/2.1=1...(4) HB2 LYS 65 - HA ALA 72 OK 13 99 - 13 - 3.0/5676=2, ~5672=1, 5680/2.1=1 HG3 GLU 37 - HA ALA 72 OK 12 99 - 12 - 5680/2.1=1, 1.8/3157=1 HB2 GLU 37 - HA ALA 72 poor 9 78 - 11 - 3.0/3157=1 QE MET 11 - HA ALA 72 poor 8 71 - 11 - 4252/2.9=4, 5680/2.1=1 HB2 LYS 91 - HA ALA 72 lone 5 100 - 5 - HB3 GLU 33 - HA ALA 72 lone 5 81 - 7 - 871/4219=1 HB2 LYS 44 - HA ALA 72 lone 4 81 - 5 - Peak 5679 from cnoeabs.peaks (1.98, 3.96, 54.32 ppm; 4.58 A): 4 out of 12 assignments used, quality = 0.96: HB2 PRO 19 + HA ALA 72 OK 66 100 - 66 - 4343/3.6=12, 4.9/5683=11...(21) HB3 PRO 19 + HA ALA 72 OK 66 100 - 66 - 4343/3.6=12, 4.9/5683=11...(21) HB2 GLU 25 + HA ALA 72 OK 40 96 - 42 - 4.1/4216=9, 1645=6...(13) HG2 PRO 19 + HA ALA 72 OK 38 81 - 47 - 5681/2.1=6, ~5681=6...(15) HB3 PRO 81 - HA ALA 72 OK 29 97 - 30 - 3.0/5683=6, 3.9/4219=5...(9) HE3 LYS 68 - HA ALA 72 OK 26 99 - 26 - 5568/5690=9, 5667/2.9=4...(7) HB2 GLU 51 - HA ALA 72 OK 23 95 - 24 - 5065/5671=8, ~5088=6...(7) HB2 GLU 77 - HA ALA 72 OK 20 78 - 26 - 4.0/357=4, ~4201=3...(10) HB2 GLN 58 - HA ALA 72 OK 17 83 - 21 - 2.9/5272=5, 4.3/5318=4...(5) HB2 LYS 78 - HA ALA 72 OK 12 95 - 13 - 4.0/1097=3 HB2 LEU 34 - HA ALA 72 lone 8 93 - 8 - HG2 PRO 84 - HA ALA 72 lone 6 92 - 6 - Peak 5680 from cnoeabs.peaks (1.79, 1.49, 17.66 ppm; 4.05 A): 4 out of 17 assignments used, quality = 0.97: QB ALA 74 + QB ALA 72 OK 78 96 - 82 - 2.9/5692=24, ~4215=14...(19) HG LEU 76 + QB ALA 72 OK 55 83 - 67 - 2.1/5674=11, 2.1/5673=11...(18) HB2 ARG 27 + QB ALA 72 OK 46 96 - 48 - 3876/2.9=6, 4.2/3158=5...(21) HB2 ARG 28 + QB ALA 72 OK 45 100 - 45 - 4.6/4065=7, 4.0/3158=5...(15) HB3 ARG 28 - QB ALA 72 OK 36 81 - 45 - 4.6/4065=7, 4.0/3158=5...(15) HB2 MET 48 - QB ALA 72 OK 15 99 - 15 - 2192/4.2=2, 4907/5697=1 HB2 LYS 31 - QB ALA 72 OK 14 100 - 14 - 4604/5675=5, 4597/5697=1 HG3 GLU 37 - QB ALA 72 OK 12 100 - 12 - HG2 GLU 51 - QB ALA 72 OK 11 83 - 14 - ~5088=4, 3.0/5681=2...(4) HG3 GLU 51 - QB ALA 72 OK 11 81 - 14 - ~5088=4, 3.0/5681=2...(4) QE MET 11 - QB ALA 72 OK 11 85 - 13 - 4252/2.9=3, 4246/5695=1 HD3 LYS 78 - QB ALA 72 OK 10 100 - 10 - HB2 LYS 65 - QB ALA 72 lone 9 100 - 9 - 3.0/5672=2 HB2 GLU 37 - QB ALA 72 lone 6 63 - 10 - 1.8/2180=1 HB2 LYS 91 - QB ALA 72 lone 4 100 - 4 - HB2 LYS 44 - QB ALA 72 lone 3 65 - 5 - HB3 GLU 33 - QB ALA 72 lone 3 65 - 5 - Peak 5681 from cnoeabs.peaks (1.97, 1.49, 17.66 ppm; 3.09 A): 11 out of 16 assignments used, quality = 0.95: HB2 PRO 19 + QB ALA 72 OK 47 97 - 48 - 4.9/5682=9, 3.5/5693=9...(18) HB3 PRO 19 + QB ALA 72 OK 45 93 - 48 - 4.9/5682=9, 3.5/5693=9...(18) HG2 PRO 19 + QB ALA 72 OK 35 97 - 36 - 4.9/5693=6, 1.8/4378=3...(15) HB2 LEU 76 + QB ALA 72 OK 32 73 - 43 - 3.1/5674=6, 3.1/5673=6...(18) HB3 PRO 81 + QB ALA 72 OK 15 100 - 15 - 3.0/5682=4, ~5683=2...(5) HB3 GLU 22 + QB ALA 72 OK 13 65 - 20 - 3.0/4201=4, 4.6/4467=2...(9) HB2 GLU 25 + QB ALA 72 OK 13 76 - 17 - 1645/2.1=3, 3.0/3159=2...(7) HE3 LYS 68 + QB ALA 72 OK 12 89 - 13 - 5568/5698=4, 5667/2.9=2...(5) HB2 GLU 77 + QB ALA 72 OK 11 97 - 12 - 3.0/4201=3, 6142/3.6=1 HB2 GLU 51 + QB ALA 72 OK 11 100 - 11 - 5065/5675=3, ~5088=2 HB2 GLN 58 + QB ALA 72 OK 11 98 - 11 - 5664/4.2=2, ~5272=1, 2.9/5269=1 HG3 PRO 84 - QB ALA 72 lone 4 81 - 5 - HB2 LYS 78 - QB ALA 72 lone 4 73 - 5 - HB2 LEU 34 - QB ALA 72 lone 3 71 - 4 - HB2 GLU 33 - QB ALA 72 lone 2 65 - 4 - HG2 PRO 84 - QB ALA 72 lone 2 68 - 2 - Peak 5682 from cnoeabs.peaks (3.38, 1.49, 17.66 ppm; 3.35 A): 2 out of 2 assignments used, quality = 0.60: HA VAL 20 + QB ALA 72 OK 54 98 - 55 - 4389=16, 3.0/5693=12...(15) HD2 PRO 81 + QB ALA 72 OK 13 99 - 13 - 5683/2.1=3, 567/5693=2...(4) Peak 5683 from cnoeabs.peaks (3.39, 3.96, 54.32 ppm; 6.07 A): 2 out of 2 assignments used, quality = 0.94: HA VAL 20 + HA ALA 72 OK 90 100 - 90 - 5682/2.1=37, ~5693=24...(21) HD2 PRO 81 + HA ALA 72 OK 42 100 - 42 - 5682/2.1=9, 4.8/5882=6...(11) Peak 5690 from cnoeabs.peaks (6.66, 3.96, 54.32 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.89: QE TYR 32 + HA ALA 72 OK 89 100 - 89 - 5698/2.1=45, 5688/2.9=40...(16) Peak 5691 from cnoeabs.peaks (8.13, 1.49, 17.66 ppm; 4.70 A): 3 out of 5 assignments used, quality = 0.94: H ALA 71 + QB ALA 72 OK 85 100 - 86 - 337/2.9=26, 1067/3.6=17...(22) H LEU 30 + QB ALA 72 OK 44 83 - 54 - 3.6/4201=11, 122/3.6=11...(9) H ARG 27 + QB ALA 72 OK 27 65 - 42 - 965/2.9=7, 4.6/3158=6...(14) H ALA 89 - QB ALA 72 lone 8 76 - 10 - 337/2.9=2, 3152/4.2=1 H MET 11 - QB ALA 72 lone 5 60 - 8 - 337/2.9=1, 1074/3.6=1 Peak 5692 from cnoeabs.peaks (7.79, 1.49, 17.66 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.89: H ALA 74 + QB ALA 72 OK 89 99 - 91 - 1005/3.6=40, 1072/2.9=37...(16) Peak 5693 from cnoeabs.peaks (7.60, 1.49, 17.66 ppm; 4.47 A): 2 out of 4 assignments used, quality = 0.81: H VAL 20 + QB ALA 72 OK 75 100 - 76 - 3.0/5682=33, 4384=13...(17) H LYS 17 + QB ALA 72 OK 25 100 - 25 - 41/2.1=4, 1486/5682=3...(9) HD21 ASN 63 - QB ALA 72 lone 8 93 - 9 - 5.5/5694=3, 1486/5682=1 H LYS 44 - QB ALA 72 lone 4 68 - 6 - Peak 5694 from cnoeabs.peaks (7.51, 1.49, 17.66 ppm; 5.44 A): 3 out of 3 assignments used, quality = 0.86: H ALA 69 + QB ALA 72 OK 72 98 - 73 - 3.0/4201=20, 5685/2.9=15...(14) HE22 GLN 55 + QB ALA 72 OK 32 71 - 46 - 1.7/5697=12, 5685/2.9=9...(11) H ASN 63 + QB ALA 72 OK 25 97 - 26 - 5685/2.9=6, 5634/4.2=5...(7) Peak 5695 from cnoeabs.peaks (7.34, 1.49, 17.66 ppm; 5.22 A): 3 out of 5 assignments used, quality = 0.94: H ALA 75 + QB ALA 72 OK 75 83 - 91 - 4.6/5692=29, 1084/3.6=26...(22) QD TYR 70 + QB ALA 72 OK 60 97 - 62 - 4.5/5691=15, ~5594=10...(12) H GLU 25 + QB ALA 72 OK 40 73 - 54 - 4216/2.1=10, 1077/3.6=9...(16) QE PHE 46 - QB ALA 72 OK 26 100 - 26 - 1077/3.6=5, 4216/2.1=4...(9) HZ PHE 46 - QB ALA 72 OK 14 83 - 17 - ~4216=4, ~5686=3...(6) Peak 5696 from cnoeabs.peaks (7.15, 1.49, 17.66 ppm; 5.68 A): 1 out of 3 assignments used, quality = 0.47: QD PHE 57 + QB ALA 72 OK 47 100 - 47 - 5046/5675=10, ~5264=8...(17) HD2 HIS 15 - QB ALA 72 lone 8 95 - 9 - 4.0/4292=2, 5046/5675=2 HD22 ASN 18 - QB ALA 72 poor 7 57 - 13 - 958/5693=3, 3837/5682=2 Peak 5697 from cnoeabs.peaks (6.81, 1.49, 17.66 ppm; 5.07 A): 2 out of 3 assignments used, quality = 0.96: QD TYR 32 + QB ALA 72 OK 92 99 - 93 - 2.2/5698=48, ~5688=30...(16) HE21 GLN 55 + QB ALA 72 OK 47 93 - 51 - 5202=9, 1.7/5694=9...(12) QE TYR 70 - QB ALA 72 OK 44 98 - 45 - 5687/2.9=10, 2.2/5695=10...(9) Peak 5698 from cnoeabs.peaks (6.66, 1.49, 17.66 ppm; 3.73 A): 1 out of 1 assignment used, quality = 0.77: QE TYR 32 + QB ALA 72 OK 77 99 - 78 - 5688/2.9=29, 5690/2.1=23...(14) Peak 5700 from cnoeabs.peaks (8.35, 1.75, 42.30 ppm; 5.46 A): 3 out of 7 assignments used, quality = 0.99: H ARG 28 + HB2 LEU 73 OK 83 100 - 83 - 3.0/4206=17, 966/3.9=16...(22) H TYR 70 + HB2 LEU 73 OK 82 95 - 87 - 3.0/4206=19, ~4208=16...(21) H ALA 72 + HB2 LEU 73 OK 79 100 - 79 - 1072/4.4=35, 1004/3.9=27...(16) H GLU 37 - HB2 LEU 73 lone 4 57 - 7 - H GLY 39 - HB2 LEU 73 lone 4 63 - 6 - H ASN 90 - HB2 LEU 73 lone 4 60 - 6 - H GLY 40 - HB2 LEU 73 lone 3 63 - 5 - Peak 5701 from cnoeabs.peaks (7.33, 1.75, 42.30 ppm; 4.91 A): 2 out of 5 assignments used, quality = 0.96: QD TYR 70 + HB2 LEU 73 OK 91 100 - 91 - 5707/3.1=28, 5702/1.8=22...(21) H ALA 75 + HB2 LEU 73 OK 54 71 - 76 - 4.6/4067=30, 1084/3.9=20...(19) QE PHE 46 - HB2 LEU 73 OK 38 99 - 38 - 5702/1.8=8, 5707/3.1=8...(10) HZ PHE 46 - HB2 LEU 73 OK 30 92 - 33 - 5702/1.8=7, 5707/3.1=6...(9) H GLU 25 - HB2 LEU 73 OK 17 60 - 29 - 1006/4.4=7, 1077/3.9=7...(6) Peak 5702 from cnoeabs.peaks (7.33, 1.67, 42.30 ppm; 5.15 A): 2 out of 3 assignments used, quality = 0.95: QD TYR 70 + HB3 LEU 73 OK 92 100 - 92 - 5707/3.1=30, 4699/3.1=21...(20) QE PHE 46 + HB3 LEU 73 OK 34 95 - 35 - 5707/3.1=8, 5701/1.8=7...(11) HZ PHE 46 - HB3 LEU 73 OK 31 97 - 31 - 5707/3.1=6, 5701/1.8=6...(9) Peak 5703 from cnoeabs.peaks (8.35, 1.67, 42.30 ppm; 5.08 A): 3 out of 6 assignments used, quality = 0.98: H ARG 28 + HB3 LEU 73 OK 77 100 - 77 - 3.0/4208=16, 966/3.9=15...(20) H ALA 72 + HB3 LEU 73 OK 74 100 - 74 - 1072/4.4=31, 1004/3.9=25...(13) H TYR 70 + HB3 LEU 73 OK 70 87 - 81 - 3.0/4208=19, 4.6/5702=15...(16) H ASN 90 - HB3 LEU 73 lone 4 73 - 6 - H GLY 39 - HB3 LEU 73 lone 4 76 - 5 - H GLY 40 - HB3 LEU 73 lone 3 76 - 4 - Peak 5704 from cnoeabs.peaks (8.35, 0.78, 24.28 ppm; 4.72 A): 3 out of 12 assignments used, quality = 0.98: H ARG 28 + QD1 LEU 73 OK 75 100 - 75 - 4558=18, 966/4.4=12...(20) H TYR 70 + QD1 LEU 73 OK 75 87 - 86 - 3.0/5713=22, 5587=16...(22) H ALA 72 + QD1 LEU 73 OK 66 100 - 67 - 1072/4.6=26, 1004/4.4=20...(12) H ALA 72 - HG2 LYS 26 OK 17 41 - 41 - 5668/3.0=7, ~5673=4...(15) H ARG 28 - HG2 LYS 26 OK 11 41 - 28 - 4.6/100=7, 4.2/4543=5...(5) H TYR 70 - HG2 LYS 26 poor 8 31 - 24 - 3.0/5607=4, 5587=4...(8) H GLY 39 - QD1 LEU 73 lone 4 76 - 6 - H ASN 90 - QD1 LEU 73 lone 4 73 - 5 - H GLY 40 - QD1 LEU 73 lone 3 76 - 4 - H GLY 39 - HG2 LYS 26 lone 1 26 - 3 - H ASN 90 - HG2 LYS 26 lone 1 25 - 2 - H GLY 40 - HG2 LYS 26 lone 1 26 - 2 - Peak 5705 from cnoeabs.peaks (8.27, 0.78, 24.28 ppm; 4.74 A): 4 out of 12 assignments used, quality = 0.80: H GLU 77 + QD1 LEU 73 OK 61 100 - 61 - 5796/4.6=18, 5808=13...(13) H VAL 66 + QD1 LEU 73 OK 27 100 - 27 - 3.6/5456=3, 4.0/6100=3...(9) H ASP 88 + QD1 LEU 73 OK 20 89 - 22 - 4.9/3193=3, 4226/3.9=2...(8) H ALA 86 + QD1 LEU 73 OK 14 89 - 16 - 410/2.1=4, 4226/3.9=2...(5) H GLU 77 - HG2 LYS 26 poor 10 41 - 24 - 4.6/6172=4, 5808=4...(8) H GLY 16 - QD1 LEU 73 lone 7 76 - 9 - 5737/4.6=2, 4.5/6106=1 H LYS 64 - QD1 LEU 73 lone 6 73 - 8 - 5737/4.6=1 H ASP 88 - HG2 LYS 26 poor 4 32 - 12 - 420/3.0=1, 3.6/1881=1...(4) H ALA 86 - HG2 LYS 26 poor 4 32 - 11 - 410/3.0=3, 409/3.0=2, 406/2.9=2 H VAL 66 - HG2 LYS 26 lone 3 41 - 8 - 3.6/5456=1, 4.0/6100=1 H LYS 64 - HG2 LYS 26 lone 1 25 - 6 - ~5422=1 H GLY 16 - HG2 LYS 26 lone 1 26 - 4 - Peak 5706 from cnoeabs.peaks (7.34, 0.78, 24.28 ppm; 3.80 A): 4 out of 10 assignments used, quality = 0.94: QD TYR 70 + QD1 LEU 73 OK 80 97 - 82 - 5707/2.1=23, 4699=23...(19) H ALA 75 + QD1 LEU 73 OK 46 83 - 55 - 350/4.6=18, 1084/4.4=13...(14) QE PHE 46 + QD1 LEU 73 OK 27 100 - 27 - 5707/2.1=6, 5702/3.1=4...(9) H GLU 25 + QD1 LEU 73 OK 25 73 - 34 - 1006/4.6=5, 5.0/6103=4...(12) HZ PHE 46 - QD1 LEU 73 OK 18 83 - 21 - 5707/2.1=5, ~5707=4...(6) QE PHE 46 - HG2 LYS 26 OK 12 41 - 29 - 4638/1.8=5, ~4514=3...(12) H GLU 25 - HG2 LYS 26 poor 9 25 - 35 - 963/4.9=14, 4502/1.8=5...(10) QD TYR 70 - HG2 LYS 26 poor 8 38 - 21 - 4699=5, 2.2/4690=3...(8) H ALA 75 - HG2 LYS 26 poor 6 29 - 21 - 90/4.9=3, ~6108=2...(5) HZ PHE 46 - HG2 LYS 26 poor 4 29 - 15 - ~4638=4, 4645/1.8=3...(6) Peak 5707 from cnoeabs.peaks (7.33, 0.84, 24.71 ppm; 3.72 A): 3 out of 3 assignments used, quality = 0.83: QD TYR 70 + QD2 LEU 73 OK 74 100 - 74 - 4698=19, 2.2/5708=17...(16) QE PHE 46 + QD2 LEU 73 OK 20 95 - 21 - 5706/2.1=4, 5702/3.1=4...(8) HZ PHE 46 + QD2 LEU 73 OK 16 97 - 16 - 5702/3.1=3, 5706/2.1=2...(6) Peak 5708 from cnoeabs.peaks (6.81, 0.84, 24.71 ppm; 4.30 A): 3 out of 3 assignments used, quality = 0.88: QE TYR 70 + QD2 LEU 73 OK 79 100 - 79 - 2.2/5707=28, 4689=27...(12) HE21 GLN 55 + QD2 LEU 73 OK 27 98 - 28 - 5203/2.1=8, ~5204=5...(7) QD TYR 32 + QD2 LEU 73 OK 20 95 - 22 - 4611/2.1=4, ~4616=2...(7) Peak 5709 from cnoeabs.peaks (6.79, 0.78, 24.28 ppm; 4.48 A): 4 out of 8 assignments used, quality = 0.91: QE TYR 70 + QD1 LEU 73 OK 81 96 - 85 - 4689/2.1=22, 5615=21...(16) HE21 GLN 55 + QD1 LEU 73 OK 40 99 - 40 - 5203=9, 1.7/5204=8...(11) QD TYR 32 + QD1 LEU 73 OK 16 60 - 26 - 5708/2.1=5, 2.5/4616=3...(9) QD TYR 32 + HG2 LYS 26 OK 11 19 - 57 - 4609/2.9=5, ~4623=5...(25) QE TYR 70 - HG2 LYS 26 poor 9 37 - 24 - 4690=5, 2.2/4699=4...(9) HE21 GLN 55 - HG2 LYS 26 poor 5 40 - 12 - 3.5/5182=2, 1.7/5204=2...(4) HD22 ASN 63 - QD1 LEU 73 lone 2 71 - 3 - HD22 ASN 63 - HG2 LYS 26 lone 0 24 - 2 - Peak 5713 from cnoeabs.peaks (4.37, 0.78, 24.28 ppm; 3.57 A): 3 out of 8 assignments used, quality = 0.64: HA TYR 70 + QD1 LEU 73 OK 47 71 - 66 - 3.7/4699=10, 4209/4.6=9...(18) HA ILE 35 + QD1 LEU 73 OK 18 92 - 19 - 2113/2.1=3, 3.0/6145=3...(7) HA PRO 84 + QD1 LEU 73 OK 18 99 - 18 - 2.3/6145=4, ~6147=3...(6) HA TYR 70 - HG2 LYS 26 poor 3 24 - 14 - 5607=3, 3.7/4699=2...(5) HA ILE 35 - HG2 LYS 26 lone 2 34 - 7 - HA PRO 84 - HG2 LYS 26 lone 1 40 - 3 - HA ARG 45 - QD1 LEU 73 lone 1 85 - 1 - HA ARG 45 - HG2 LYS 26 lone 1 30 - 2 - Peak 5714 from cnoeabs.peaks (4.35, 0.84, 24.71 ppm; 3.77 A): 3 out of 6 assignments used, quality = 0.69: HA THR 13 + QD2 LEU 73 OK 48 96 - 51 - 6151=23, 6152/2.1=12...(7) HA ILE 35 + QD2 LEU 73 OK 25 96 - 26 - 3.0/6147=5, 2113=4...(10) HA PRO 84 + QD2 LEU 73 OK 19 81 - 23 - 2.3/6147=5, 5713/2.1=3...(8) HA MET 11 - QD2 LEU 73 lone 5 63 - 8 - 4.0/6105=1, 5.3/3198=1 HA LYS 44 - QD2 LEU 73 lone 3 98 - 3 - HA ARG 45 - QD2 LEU 73 lone 3 99 - 3 - Peak 5716 from cnoeabs.peaks (0.86, 4.15, 54.74 ppm; 4.55 A): 3 out of 10 assignments used, quality = 0.97: QB ALA 75 + HA ALA 74 OK 87 100 - 87 - 5743/2.9=28, ~350=21...(17) QD2 LEU 73 + HA ALA 74 OK 58 73 - 79 - ~4070=19, ~4067=18...(17) QD1 LEU 76 + HA ALA 74 OK 47 89 - 53 - 4.8/4227=13, ~5719=10...(9) QD2 LEU 30 - HA ALA 74 OK 25 100 - 25 - ~348=4, 5718/2.1=4...(9) QD2 LEU 87 - HA ALA 74 OK 17 83 - 21 - ~4069=3, 4.8/4228=3...(7) HD2 LYS 26 - HA ALA 74 OK 17 93 - 18 - 349/2.9=3, 5718/2.1=2...(6) QD1 LEU 87 - HA ALA 74 OK 12 60 - 20 - ~4069=3, 4.8/4228=3...(7) QD1 LEU 85 - HA ALA 74 OK 11 68 - 16 - ~4069=3, ~347=2, ~349=2...(6) QD2 LEU 85 - HA ALA 74 poor 9 65 - 14 - ~4069=3, 349/2.9=3...(6) QG2 VAL 47 - HA ALA 74 lone 4 76 - 5 - Peak 5717 from cnoeabs.peaks (1.53, 1.77, 17.66 ppm; 3.91 A): 5 out of 15 assignments used, quality = 0.91: QB ALA 71 + QB ALA 74 OK 71 98 - 72 - ~4211=17, 5633/2.9=14...(22) HG3 ARG 27 + QB ALA 74 OK 33 97 - 34 - 3.0/5721=4, 1792=4...(16) HD2 LYS 56 + QB ALA 74 OK 29 100 - 29 - 3.0/5720=7, 3.0/5720=6...(9) HG LEU 30 + QB ALA 74 OK 22 97 - 23 - 2.1/5718=4, ~348=3...(8) HB2 LYS 56 + QB ALA 74 OK 20 63 - 32 - 4.6/5736=9, 3.0/5728=7...(10) HB3 LYS 26 - QB ALA 74 OK 18 97 - 19 - 4.0/4527=3, 5715/2.9=2...(7) HD3 LYS 64 - QB ALA 74 OK 17 100 - 17 - 2.9/5719=4, 5446/3.4=2...(5) HB3 LEU 87 - QB ALA 74 OK 15 100 - 15 - 4.2/5732=2, ~4069=2...(7) HB2 LEU 85 - QB ALA 74 OK 12 90 - 13 - ~4069=2, 4.3/5732=2...(6) HG LEU 34 - QB ALA 74 lone 8 93 - 9 - HD2 LYS 17 - QB ALA 74 lone 6 83 - 7 - HD3 LYS 17 - QB ALA 74 lone 6 83 - 7 - HG2 GLU 37 - QB ALA 74 lone 5 65 - 7 - HB3 LYS 44 - QB ALA 74 lone 5 96 - 5 - HB2 ARG 45 - QB ALA 74 lone 2 83 - 2 - Peak 5718 from cnoeabs.peaks (0.87, 1.77, 17.66 ppm; 3.91 A): 2 out of 9 assignments used, quality = 0.96: QB ALA 75 + QB ALA 74 OK 92 100 - 92 - 4.5=67, 2.9/4073=24...(19) QD1 LEU 76 + QB ALA 74 OK 53 99 - 53 - 2.1/5719=12, 866/3.4=8...(15) QD2 LEU 30 - QB ALA 74 OK 25 100 - 25 - ~348=3, 2.1/5717=3...(7) QD1 LEU 87 - QB ALA 74 OK 15 83 - 18 - ~4069=2, ~347=2...(7) HB3 LEU 30 - QB ALA 74 OK 14 71 - 20 - 3.0/5717=2, ~348=2...(5) HD2 LYS 26 - QB ALA 74 OK 13 76 - 17 - 3.6/5717=2, 5.8/4527=2...(7) HD3 LYS 26 - QB ALA 74 OK 13 71 - 18 - ~349=2, 3.6/5717=2...(6) QD1 LEU 85 - QB ALA 74 OK 12 89 - 14 - ~4069=2, ~347=2, ~349=2 QD2 LEU 87 - QB ALA 74 poor 10 60 - 16 - ~4069=2, ~347=2...(6) Peak 5719 from cnoeabs.peaks (0.70, 1.77, 17.66 ppm; 4.45 A): 4 out of 4 assignments used, quality = 0.91: QD2 LEU 76 + QB ALA 74 OK 68 97 - 70 - 5748/3.4=14, 5763/4.5=14...(20) QG1 VAL 50 + QB ALA 74 OK 57 98 - 58 - 5039/3.4=13, 5038/5730=9...(16) HG3 LYS 64 + QB ALA 74 OK 30 100 - 30 - 5748/3.4=6, 5763/4.5=5...(9) QG2 VAL 20 + QB ALA 74 OK 12 73 - 17 - 5748/3.4=3, 5763/4.5=2...(5) Peak 5720 from cnoeabs.peaks (2.80, 1.77, 17.66 ppm; 3.75 A): 3 out of 4 assignments used, quality = 0.90: HB3 PHE 57 + QB ALA 74 OK 79 100 - 79 - 2.5/5730=23, 1.8/5721=19...(17) HE3 LYS 56 + QB ALA 74 OK 31 96 - 33 - 5751/3.4=5, 5759/4.5=4...(14) HE2 LYS 56 + QB ALA 74 OK 29 90 - 33 - 5751/3.4=5, 5759/4.5=4...(14) HB3 ASP 53 - QB ALA 74 lone 7 89 - 7 - 5759/4.5=1 Peak 5721 from cnoeabs.peaks (3.16, 1.77, 17.66 ppm; 3.37 A): 5 out of 5 assignments used, quality = 0.90: HB2 PHE 57 + QB ALA 74 OK 73 100 - 73 - 2.5/5730=20, 1.8/5720=16...(17) HD2 ARG 28 + QB ALA 74 OK 26 100 - 26 - 1856=4, 5726/2.9=3...(12) HB2 PHE 80 + QB ALA 74 OK 23 89 - 26 - 2.5/5730=5, 5752/3.4=3...(9) HD2 ARG 27 + QB ALA 74 OK 20 76 - 26 - 3.0/5717=3, 5752/3.4=3...(9) HD3 PRO 81 + QB ALA 74 OK 17 100 - 17 - 5758/4.5=2, 5724/2.1=2...(6) Peak 5722 from cnoeabs.peaks (2.22, 4.15, 54.74 ppm; 4.86 A): 3 out of 5 assignments used, quality = 0.90: HG2 GLU 77 + HA ALA 74 OK 78 100 - 78 - 5795/2.9=20, 1.8/5723=16...(11) HG2 GLU 25 + HA ALA 74 OK 51 99 - 51 - 5.0/1038=11, 1.8/5723=11...(13) HG2 GLU 33 + HA ALA 74 OK 12 100 - 12 - 3.0/4229=2, 878/1095=2...(5) HE2 LYS 68 - HA ALA 74 lone 6 100 - 6 - HG3 MET 11 - HA ALA 74 lone 4 68 - 5 - Peak 5723 from cnoeabs.peaks (2.46, 4.15, 54.74 ppm; 4.96 A): 3 out of 4 assignments used, quality = 0.96: HG3 GLU 77 + HA ALA 74 OK 81 100 - 81 - 1.8/5722=21, 5794/2.9=18...(15) HG3 GLU 25 + HA ALA 74 OK 53 97 - 55 - 1.8/5722=14, 5.0/1038=11...(14) HG3 MET 21 + HA ALA 74 OK 53 100 - 53 - 1535=12, 1.8/1528=11...(11) HB3 ASP 43 - HA ALA 74 lone 6 87 - 6 - 4.2/4794=3 Peak 5724 from cnoeabs.peaks (3.15, 4.15, 54.74 ppm; 5.45 A): 4 out of 4 assignments used, quality = 0.92: HB2 PHE 57 + HA ALA 74 OK 76 92 - 82 - ~5730=25, ~5720=23...(12) HD2 ARG 28 + HA ALA 74 OK 37 97 - 39 - 5726/2.9=9, 5721/2.1=8...(12) HD3 PRO 81 + HA ALA 74 OK 28 99 - 28 - 5721/2.1=5, 5726/2.9=4...(11) HB2 PHE 80 + HA ALA 74 OK 26 63 - 42 - 2.5/4233=10, 5721/2.1=7...(10) Peak 5727 from cnoeabs.peaks (3.94, 4.15, 54.74 ppm; 4.80 A): 3 out of 6 assignments used, quality = 0.96: HA LEU 76 + HA ALA 74 OK 78 100 - 78 - 3.6/1095=20, 3.0/4227=20...(18) HA ALA 72 + HA ALA 74 OK 67 85 - 79 - 4215/2.9=25, ~5692=22...(15) HA ALA 71 + HA ALA 74 OK 49 73 - 67 - 4211/2.9=30, ~5633=18...(9) HA LEU 23 - HA ALA 74 OK 39 97 - 40 - 3.6/1033=11, 3.0/1026=10...(10) HA GLU 25 - HA ALA 74 OK 31 57 - 55 - 3.0/1038=16, 4.0/5722=9...(11) HA3 GLY 16 - HA ALA 74 lone 5 57 - 9 - ~5737=2, 3.0/4228=2 Peak 5728 from cnoeabs.peaks (4.66, 1.77, 17.66 ppm; 4.40 A): 2 out of 5 assignments used, quality = 0.87: HA PHE 57 + QB ALA 74 OK 78 98 - 80 - 3.6/5735=25, 3.7/5730=22...(14) HA LYS 56 + QB ALA 74 OK 38 100 - 38 - 3.6/5736=14, 6.0/5720=4...(12) HA ASN 90 - QB ALA 74 lone 6 99 - 6 - HA GLU 33 - QB ALA 74 lone 5 60 - 8 - 3.6/5736=2, 258/5735=1 HA HIS 42 - QB ALA 74 lone 1 60 - 2 - Peak 5730 from cnoeabs.peaks (7.17, 1.77, 17.66 ppm; 3.19 A): 3 out of 4 assignments used, quality = 0.74: QD PHE 57 + QB ALA 74 OK 62 89 - 69 - 2.5/5720=13, 2.5/5721=12...(19) H LYS 78 + QB ALA 74 OK 20 71 - 28 - 1100/2.1=6, 5738/3.4=4...(9) QD PHE 80 + QB ALA 74 OK 14 60 - 24 - 2.5/5721=4, 5738/3.4=3...(9) HD2 HIS 15 - QB ALA 74 lone 5 99 - 5 - Peak 5732 from cnoeabs.peaks (8.26, 1.77, 17.66 ppm; 4.97 A): 6 out of 7 assignments used, quality = 0.92: H GLU 77 + QB ALA 74 OK 75 100 - 75 - 1095/2.1=26, 5796/2.9=26...(12) H VAL 66 + QB ALA 74 OK 30 100 - 30 - 4228/2.1=6, 1087/3.4=5...(9) H ASP 88 + QB ALA 74 OK 24 97 - 25 - 4228/2.1=5, 1087/3.4=4...(8) H GLU 22 + QB ALA 74 OK 20 63 - 33 - ~4163=8, ~4448=7...(8) H ALA 86 + QB ALA 74 OK 19 97 - 20 - 1087/3.4=4, 4228/2.1=4...(5) H LYS 64 + QB ALA 74 OK 11 57 - 19 - 4.8/5719=5, 1087/3.4=3...(7) H GLY 16 - QB ALA 74 poor 8 60 - 13 - 5737/2.9=2, 4228/2.1=2...(4) Peak 5733 from cnoeabs.peaks (8.34, 1.77, 17.66 ppm; 5.21 A): 3 out of 4 assignments used, quality = 0.99: H ALA 72 + QB ALA 74 OK 94 99 - 95 - 1072/2.9=42, ~5692=22...(25) H TYR 70 + QB ALA 74 OK 60 99 - 61 - ~4209=22, ~1081=11...(14) H ARG 28 + QB ALA 74 OK 55 98 - 56 - 1079/2.9=12, ~1081=8...(20) H GLU 37 - QB ALA 74 lone 6 73 - 8 - Peak 5734 from cnoeabs.peaks (8.56, 1.77, 17.66 ppm; 4.24 A): 3 out of 5 assignments used, quality = 0.94: H LEU 73 + QB ALA 74 OK 74 95 - 78 - 1005/2.9=37, 1084/3.4=24...(16) H LEU 76 + QB ALA 74 OK 65 85 - 77 - 1089/2.9=21, 1007/3.4=21...(18) H GLY 29 + QB ALA 74 OK 33 73 - 45 - 343/2.9=14, 1084/3.4=11...(11) H ASP 82 - QB ALA 74 OK 21 81 - 26 - 1082/2.9=6, 1007/3.4=5...(5) H GLY 61 - QB ALA 74 OK 14 60 - 24 - 1007/3.4=5, 1082/2.9=4...(6) Peak 5735 from cnoeabs.peaks (8.64, 1.77, 17.66 ppm; 4.18 A): 2 out of 2 assignments used, quality = 0.68: H GLN 58 + QB ALA 74 OK 63 100 - 64 - 4.5/5730=16, 3.6/5728=15...(8) H VAL 47 + QB ALA 74 OK 12 96 - 13 - 4648/5730=2, 5265=1...(5) Peak 5736 from cnoeabs.peaks (8.82, 1.77, 17.66 ppm; 4.77 A): 2 out of 3 assignments used, quality = 0.74: H PHE 57 + QB ALA 74 OK 57 73 - 77 - 4.6/5735=23, 2.9/5728=22...(14) H GLY 59 + QB ALA 74 OK 39 93 - 42 - 4.7/5735=23, 5319=8...(7) H LEU 34 - QB ALA 74 poor 7 57 - 12 - 257/5735=1, 153/4.4=1...(4) Peak 5740 from cnoeabs.peaks (6.94, 2.05, 53.88 ppm; 4.29 A): 2 out of 2 assignments used, quality = 0.72: HZ PHE 57 + HA ALA 75 OK 59 99 - 60 - 5742/2.1=20, 2.2/4235=18...(12) HZ PHE 80 + HA ALA 75 OK 33 96 - 34 - 5742/2.1=10, 3.8/4235=9...(9) Peak 5741 from cnoeabs.peaks (7.17, 0.87, 19.18 ppm; 3.50 A): 3 out of 4 assignments used, quality = 0.83: QD PHE 57 + QB ALA 75 OK 68 89 - 76 - 4672=16, 5738/2.9=12...(20) H LYS 78 + QB ALA 75 OK 29 71 - 41 - 5738/2.9=6, 1098/3.6=6...(15) QD PHE 80 + QB ALA 75 OK 24 60 - 40 - 4714/3.6=5, 3.8/5742=5...(13) HD2 HIS 15 - QB ALA 75 lone 5 99 - 5 - 5738/2.9=1 Peak 5742 from cnoeabs.peaks (6.95, 0.87, 19.18 ppm; 4.83 A): 2 out of 2 assignments used, quality = 0.79: HZ PHE 57 + QB ALA 75 OK 68 95 - 72 - 5740/2.1=27, 3.8/5741=20...(12) HZ PHE 80 + QB ALA 75 OK 34 89 - 38 - 5740/2.1=15, 3.8/5741=7...(8) Peak 5743 from cnoeabs.peaks (7.80, 0.87, 19.18 ppm; 5.01 A): 1 out of 1 assignment used, quality = 0.94: H ALA 74 + QB ALA 75 OK 94 100 - 94 - 350/2.9=48, 3206/4.5=39...(25) Peak 5744 from cnoeabs.peaks (8.21, 0.87, 19.18 ppm; 6.03 A): 5 out of 5 assignments used, quality = 0.94: H LYS 56 + QB ALA 75 OK 59 98 - 60 - 4.6/5747=15, 4.7/6110=14...(15) H LEU 79 + QB ALA 75 OK 58 87 - 67 - 5746/2.1=19, 5855/3.6=17...(14) H GLU 22 + QB ALA 75 OK 49 83 - 59 - 4.6/6110=14, ~4163=13...(11) H LEU 87 + QB ALA 75 OK 23 83 - 27 - 5746/2.1=6, 6158/5.0=6...(6) HE21 GLN 58 + QB ALA 75 OK 17 100 - 17 - 5746/2.1=3, 6158/5.0=2 Peak 5745 from cnoeabs.peaks (8.35, 0.87, 19.18 ppm; 5.50 A): 3 out of 7 assignments used, quality = 0.94: H ALA 72 + QB ALA 75 OK 85 100 - 85 - 5686/2.9=22...(20) H ARG 28 + QB ALA 75 OK 46 100 - 47 - 4557=8, 5733/4.5=7...(13) H TYR 70 + QB ALA 75 OK 27 95 - 29 - 5733/4.5=8, 3.0/5608=6...(6) H GLU 37 - QB ALA 75 lone 4 57 - 6 - H GLY 39 - QB ALA 75 lone 3 63 - 5 - H ASN 90 - QB ALA 75 lone 3 60 - 5 - H GLY 40 - QB ALA 75 lone 2 63 - 4 - Peak 5746 from cnoeabs.peaks (8.20, 2.05, 53.88 ppm; 4.42 A): 3 out of 4 assignments used, quality = 0.77: H LEU 79 + HA ALA 75 OK 58 100 - 58 - 5855/3.6=11, 4.4/4236=9...(15) H LYS 56 + HA ALA 75 OK 33 99 - 33 - 5744/2.1=4, 4.7/5765=3...(13) H LEU 87 + HA ALA 75 OK 18 100 - 18 - 4.6/4234=3, 4.6/4234=3...(6) HE21 GLN 58 - HA ALA 75 poor 9 87 - 10 - 5744/2.1=1 Peak 5747 from cnoeabs.peaks (8.79, 0.87, 19.18 ppm; 5.91 A): 4 out of 4 assignments used, quality = 0.88: H PHE 57 + QB ALA 75 OK 73 98 - 75 - 4.4/5741=24, 4.0/5759=21...(15) H ASN 18 + QB ALA 75 OK 26 100 - 26 - 4.8/4351=4, 4.8/4360=4...(9) H GLY 54 + QB ALA 75 OK 23 99 - 23 - 4.6/5133=6, 4.6/5759=3...(6) H LEU 34 + QB ALA 75 OK 22 100 - 22 - 153/2.1=4, 4.7/4676=3...(5) Peak 5753 from cnoeabs.peaks (2.81, 2.05, 53.88 ppm; 5.04 A): 3 out of 5 assignments used, quality = 0.98: HB3 PHE 57 + HA ALA 75 OK 90 99 - 91 - 5759/2.1=21, 5751/2.9=19...(16) HE3 LYS 56 + HA ALA 75 OK 50 100 - 50 - 5759/2.1=10, 5751/2.9=9...(13) HE2 LYS 56 + HA ALA 75 OK 50 100 - 50 - 5751/2.9=9, 5759/2.1=9...(13) HB3 ASP 53 - HA ALA 75 poor 8 63 - 12 - 5759/2.1=3, 5720/4.4=1 HB2 ASN 90 - HA ALA 75 lone 3 81 - 3 - Peak 5754 from cnoeabs.peaks (3.17, 2.05, 53.88 ppm; 5.09 A): 2 out of 5 assignments used, quality = 0.96: HB2 PHE 57 + HA ALA 75 OK 91 99 - 91 - 5241/2.9=20, ~5741=19...(19) HB2 PHE 80 + HA ALA 75 OK 61 99 - 61 - 2.5/4235=13, 5752/2.9=9...(15) HD3 PRO 81 - HA ALA 75 OK 41 92 - 44 - 5758/2.1=8, 2.3/4238=7...(14) HD2 ARG 27 - HA ALA 75 OK 36 95 - 38 - 5752/2.9=6, 4550/2.1=6...(11) HD2 ARG 28 - HA ALA 75 OK 26 97 - 27 - 5752/2.9=6, 5721/4.4=6...(6) Peak 5755 from cnoeabs.peaks (3.95, 2.05, 53.88 ppm; 4.80 A): 2 out of 6 assignments used, quality = 0.97: HA LEU 76 + HA ALA 75 OK 89 99 - 90 - ~4075=19, ~1007=16...(27) HA ALA 72 + HA ALA 75 OK 70 93 - 75 - 4219/3.6=21, 4216/2.9=21...(14) HA LEU 23 - HA ALA 75 OK 39 90 - 43 - 868/3.6=8, 4168/2.9=7...(13) HA GLU 25 - HA ALA 75 OK 37 71 - 53 - 3.0/3209=11, 1638/2.9=10...(10) HA ALA 71 - HA ALA 75 OK 35 85 - 42 - 4214/2.9=15, 4218/2.1=7...(9) HA3 GLY 16 - HA ALA 75 lone 6 71 - 8 - 3.0/4234=1 Peak 5756 from cnoeabs.peaks (4.15, 2.05, 53.88 ppm; 6.17 A): 2 out of 3 assignments used, quality = 0.98: HA ALA 74 + HA ALA 75 OK 96 100 - 96 - ~350=39, ~5743=34...(20) HA MET 21 + HA ALA 75 OK 62 99 - 63 - 4161/2.9=18, ~6110=14...(17) HB THR 83 - HA ALA 75 poor 9 63 - 14 - 1088/3.6=3, 5936/2.1=3 Peak 5758 from cnoeabs.peaks (3.16, 0.87, 19.18 ppm; 4.34 A): 3 out of 5 assignments used, quality = 0.96: HB2 PHE 57 + QB ALA 75 OK 86 100 - 86 - 2.5/5741=23, 1.8/5759=20...(20) HB2 PHE 80 + QB ALA 75 OK 47 89 - 53 - 5883/5.0=9, 2.5/5741=8...(14) HD3 PRO 81 + QB ALA 75 OK 42 100 - 42 - 6112/5.0=6, 4103/3.6=5...(12) HD2 ARG 28 - QB ALA 75 OK 29 100 - 29 - 5721/4.5=5, 5752/2.9=5...(9) HD2 ARG 27 - QB ALA 75 OK 28 76 - 37 - 5752/2.9=5, 4550=5...(14) Peak 5759 from cnoeabs.peaks (2.80, 0.87, 19.18 ppm; 4.08 A): 4 out of 4 assignments used, quality = 0.92: HB3 PHE 57 + QB ALA 75 OK 79 100 - 79 - 2.5/5741=21, 5751/2.9=13...(18) HE3 LYS 56 + QB ALA 75 OK 37 96 - 39 - 5751/2.9=7, 5753/2.1=6...(15) HE2 LYS 56 + QB ALA 75 OK 35 90 - 39 - 5751/2.9=6, 5753/2.1=6...(15) HB3 ASP 53 + QB ALA 75 OK 11 89 - 13 - 4.1/5133=4, 4.6/5747=2 Peak 5760 from cnoeabs.peaks (1.92, 0.87, 19.18 ppm; 4.49 A): 7 out of 11 assignments used, quality = 0.93: HB2 LEU 76 + QB ALA 75 OK 63 73 - 85 - 4.0/4075=22, 3.1/5763=19...(21) HB3 GLU 22 + QB ALA 75 OK 40 81 - 50 - 1.8/4451=8, 3.0/4464=7...(15) HD2 LYS 78 + QB ALA 75 OK 32 100 - 32 - 2.9/5762=5, 6.2/5741=4...(11) HG3 PRO 81 + QB ALA 75 OK 29 100 - 29 - 2.3/5758=7, 4108/3.6=5...(6) QE MET 48 + QB ALA 75 OK 15 98 - 15 - 4869/5763=2, 4869/5763=1...(6) HB2 GLU 33 + QB ALA 75 OK 14 81 - 18 - 4.2/5747=3, 2049/2.1=2...(6) HB VAL 20 + QB ALA 75 OK 14 90 - 15 - 2.1/5763=4, ~5764=3...(5) HG3 GLU 49 - QB ALA 75 lone 10 100 - 10 - 4940/5747=1 HB VAL 47 - QB ALA 75 lone 7 98 - 7 - HG3 PRO 84 - QB ALA 75 lone 6 65 - 9 - 3.8/5955=2, ~4238=1 HB2 MET 11 - QB ALA 75 lone 2 63 - 3 - Peak 5761 from cnoeabs.peaks (1.78, 0.87, 19.18 ppm; 3.84 A): 2 out of 14 assignments used, quality = 0.94: QB ALA 74 + QB ALA 75 OK 91 100 - 91 - 4.5=64, 4073/2.9=23...(18) HB2 LEU 73 + QB ALA 75 OK 35 76 - 46 - 4.4/5743=15, 352/2.9=6...(14) HB2 ARG 27 - QB ALA 75 OK 32 100 - 33 - 4546=5, 4.2/5745=4...(11) HD3 LYS 78 - QB ALA 75 OK 27 99 - 28 - 5767/2.1=4, 1.8/5760=4...(10) HB2 LYS 31 - QB ALA 75 OK 23 97 - 24 - 4604/6109=5, 4603=3...(8) HB2 ARG 28 - QB ALA 75 OK 22 97 - 23 - 4.0/5745=4, 352/2.9=3...(7) HB3 ARG 28 - QB ALA 75 OK 22 97 - 22 - 4.0/5745=4, 352/2.9=3...(9) HB3 GLN 55 - QB ALA 75 OK 18 65 - 28 - 2.9/6110=9, 1.8/3213=4...(8) HB2 LYS 65 - QB ALA 75 poor 10 97 - 10 - 5767/2.1=1, 871/3.6=1, 352/2.9=1 HB2 MET 48 - QB ALA 75 lone 9 89 - 10 - 4.0/5760=1, 871/3.6=1 HG3 GLU 37 - QB ALA 75 lone 8 97 - 8 - QE MET 11 - QB ALA 75 lone 5 99 - 5 - HB3 MET 48 - QB ALA 75 lone 5 71 - 7 - 4.0/5760=1 HB2 LYS 91 - QB ALA 75 lone 4 90 - 5 - Peak 5762 from cnoeabs.peaks (1.48, 0.87, 19.18 ppm; 3.90 A): 4 out of 12 assignments used, quality = 0.94: HB3 LEU 76 + QB ALA 75 OK 68 87 - 78 - 4.0/4075=17, 3.1/5763=16...(21) QB ALA 72 + QB ALA 75 OK 61 95 - 64 - 2.1/4217=13, ~4216=9...(18) HG3 LYS 78 + QB ALA 75 OK 32 73 - 43 - ~4236=6, ~4237=6...(12) HG LEU 79 + QB ALA 75 OK 28 100 - 28 - 5766/2.1=4, ~5764=4...(9) HB2 LYS 56 - QB ALA 75 OK 22 81 - 28 - 4.6/5747=6, 4.8/5759=4...(8) HD2 LYS 64 - QB ALA 75 OK 18 71 - 25 - 2.9/5763=6, 870/3.6=3...(10) HG2 GLU 37 - QB ALA 75 lone 6 78 - 8 - 1.8/5761=1 HD2 LYS 17 - QB ALA 75 poor 6 60 - 11 - 3.0/4676=2, ~5765=1 HD3 LYS 17 - QB ALA 75 poor 6 60 - 11 - 3.0/4676=2, ~5765=1 HG LEU 12 - QB ALA 75 lone 6 89 - 6 - 870/3.6=1, 5766/2.1=1 HB3 ARG 45 - QB ALA 75 lone 3 65 - 4 - HB2 ARG 45 - QB ALA 75 lone 2 60 - 3 - Peak 5763 from cnoeabs.peaks (0.70, 0.87, 19.18 ppm; 3.21 A): 4 out of 4 assignments used, quality = 0.84: QD2 LEU 76 + QB ALA 75 OK 61 97 - 63 - 3255=10, 3250/3.6=9...(19) QG1 VAL 50 + QB ALA 75 OK 42 98 - 43 - 2.1/6109=14, 2.1/6108=8...(11) HG3 LYS 64 + QB ALA 75 OK 22 100 - 22 - 5748/2.9=3, 873/3.6=3...(6) QG2 VAL 20 + QB ALA 75 OK 11 73 - 14 - 873/3.6=2, 3221/5.0=2...(5) Peak 5764 from cnoeabs.peaks (0.73, 2.05, 53.88 ppm; 3.99 A): 6 out of 7 assignments used, quality = 0.93: QD2 LEU 76 + HA ALA 75 OK 77 97 - 79 - 5772=15, 3250/3.6=14...(24) QD1 LEU 79 + HA ALA 75 OK 37 97 - 38 - 4.8/5746=8, 5848=5...(11) HG3 LYS 64 + HA ALA 75 OK 22 81 - 27 - 873/3.6=5, 5763/2.1=4...(8) QG2 VAL 20 + HA ALA 75 OK 20 100 - 20 - 873/3.6=4, 5763/2.1=2...(5) HG2 LYS 26 + HA ALA 75 OK 16 81 - 20 - ~6108=3, 3.0/3211=2...(9) QG1 VAL 20 + HA ALA 75 OK 11 85 - 13 - ~5763=2, ~5748=1...(4) QD1 LEU 12 - HA ALA 75 lone 6 85 - 7 - 2.1/5766=1 Peak 5765 from cnoeabs.peaks (1.26, 2.05, 53.88 ppm; 5.70 A): 6 out of 7 assignments used, quality = 0.89: HB2 LEU 79 + HA ALA 75 OK 50 99 - 51 - 4.0/5746=19, 3.1/5764=9...(12) HB3 LEU 23 + HA ALA 75 OK 45 100 - 45 - 3.0/5755=6, ~1083=6...(18) HG3 LYS 56 + HA ALA 75 OK 34 83 - 41 - 4.7/5746=10, 3.6/5753=9...(8) HG3 LYS 17 + HA ALA 75 OK 20 97 - 20 - ~4676=3, 3.0/6118=2...(8) HG3 LYS 65 + HA ALA 75 OK 17 100 - 17 - 3.0/5767=2, 5773/5764=1...(5) HG2 LYS 17 + HA ALA 75 OK 13 81 - 15 - 3.0/6118=2, 3.0/6118=2...(7) HG13 ILE 35 - HA ALA 75 lone 4 57 - 8 - 3.0/4238=1 Peak 5766 from cnoeabs.peaks (1.48, 2.05, 53.88 ppm; 4.11 A): 4 out of 9 assignments used, quality = 0.96: HB3 LEU 76 + HA ALA 75 OK 77 95 - 82 - 3229/3.6=14, 3.1/5764=12...(25) QB ALA 72 + HA ALA 75 OK 52 87 - 60 - ~4216=10, 5762/2.1=9...(12) HG3 LYS 78 + HA ALA 75 OK 40 85 - 48 - 2.8/4236=12, 2.8/4238=11...(12) HG LEU 79 + HA ALA 75 OK 36 100 - 36 - 5.0/5746=9, 2.1/5764=7...(9) HD2 LYS 64 - HA ALA 75 OK 21 83 - 26 - 870/3.6=4, 2.9/5764=4...(9) HB2 LYS 56 - HA ALA 75 OK 19 68 - 28 - 4.0/5746=6, 4.8/5753=4...(8) HG LEU 12 - HA ALA 75 lone 9 96 - 9 - 870/3.6=1, 2.1/5764=1 HG2 GLU 37 - HA ALA 75 lone 6 65 - 8 - 3.0/4238=1, 1.8/5767=1 HB3 ARG 45 - HA ALA 75 lone 3 78 - 4 - Peak 5767 from cnoeabs.peaks (1.78, 2.05, 53.88 ppm; 4.00 A): 2 out of 15 assignments used, quality = 0.97: QB ALA 74 + HA ALA 75 OK 93 99 - 94 - 4.4=74, 4073/2.9=25...(17) HG LEU 76 + HA ALA 75 OK 53 71 - 75 - 2.1/5764=14, ~5763=12...(18) HD3 LYS 78 - HA ALA 75 OK 42 100 - 42 - 3.7/4236=10, 3.7/4238=9...(14) HB2 ARG 27 - HA ALA 75 OK 25 99 - 25 - 4546/2.1=4, 352/2.9=3...(9) HB2 LEU 73 - HA ALA 75 OK 21 60 - 36 - 352/2.9=6, ~1083=5...(11) HB2 LYS 31 - HA ALA 75 OK 16 100 - 16 - 4603/2.1=4, 3.0/6034=3...(5) HB2 ARG 28 - HA ALA 75 OK 16 100 - 16 - 352/2.9=3, 5761/2.1=3...(6) HB3 ARG 28 - HA ALA 75 OK 14 90 - 15 - 352/2.9=3, 5761/2.1=3...(6) HB2 LYS 65 - HA ALA 75 OK 14 100 - 14 - 4.4/4234=2, 871/3.6=2...(5) HG3 GLU 37 - HA ALA 75 lone 9 100 - 9 - 3.0/4238=1, 5761/2.1=1 HB2 MET 48 - HA ALA 75 lone 8 97 - 9 - 871/3.6=1, 5761/2.1=1 QE MET 11 - HA ALA 75 lone 5 93 - 5 - HG2 GLU 51 - HA ALA 75 lone 4 71 - 6 - 871/3.6=1 HG3 GLU 51 - HA ALA 75 lone 4 68 - 6 - 871/3.6=1 HB2 LYS 91 - HA ALA 75 lone 4 97 - 4 - Peak 5768 from cnoeabs.peaks (0.90, 3.96, 54.32 ppm; 2.95 A): 4 out of 6 assignments used, quality = 0.75: QD1 LEU 76 + HA ALA 72 OK 39 87 - 45 - 2.1/5670=9, 5673/2.1=7...(14) QD2 LEU 23 + HA ALA 72 OK 35 93 - 37 - 5673/2.1=8, 5668/2.9=4...(13) HB3 LEU 30 + HA ALA 72 OK 21 100 - 21 - 5673/2.1=5, 4582/5671=4...(5) HD3 LYS 26 + HA ALA 72 OK 21 100 - 21 - 5673/2.1=5, 5668/2.9=3...(7) QD1 LEU 87 - HA ALA 72 lone 8 99 - 8 - 5673/2.1=2, 5668/2.9=1 QD1 LEU 85 - HA ALA 72 lone 8 98 - 8 - 5673/2.1=2 Peak 5769 from cnoeabs.peaks (3.18, 0.71, 23.37 ppm; 4.01 A): 4 out of 6 assignments used, quality = 0.95: HB2 PHE 80 + QD2 LEU 76 OK 78 100 - 78 - 5886=18, 1.8/5770=17...(18) HB2 PHE 57 + QD2 LEU 76 OK 57 96 - 60 - 5256=13, 2.5/4673=12...(18) HD3 PRO 81 + QD2 LEU 76 OK 33 81 - 41 - 4.8/5770=8, 4.8/5886=7...(9) HD2 ARG 27 + QD2 LEU 76 OK 18 99 - 19 - 4550/2.1=2, 6112/4.0=2...(5) HD2 ARG 28 - QD2 LEU 76 lone 8 90 - 9 - HB3 HIS 42 - QD2 LEU 76 lone 1 71 - 1 - Peak 5770 from cnoeabs.peaks (2.90, 0.71, 23.37 ppm; 3.82 A): 7 out of 8 assignments used, quality = 0.90: HB3 PHE 80 + QD2 LEU 76 OK 72 99 - 73 - 2.5/5786=15, 1.8/5769=14...(18) HB2 ASN 24 + QD2 LEU 76 OK 21 83 - 26 - 3.7/5785=15, 6111/4.0=3...(4) HE3 LYS 65 + QD2 LEU 76 OK 18 89 - 21 - 3.8/5773=4, 5.8/5455=2...(5) HE2 LYS 65 + QD2 LEU 76 OK 16 81 - 20 - 3.8/5773=4, 5.8/5455=2...(5) HE3 LYS 14 + QD2 LEU 76 OK 13 99 - 13 - 3.9/6207=5, 3.9/6114=3 HE2 LYS 14 + QD2 LEU 76 OK 13 97 - 14 - 3.9/6207=5, 3.9/6114=3 HB2 ASN 63 + QD2 LEU 76 OK 12 96 - 12 - 4.4/806=5, 6111/4.0=2 HB2 ASP 53 - QD2 LEU 76 lone 5 100 - 5 - Peak 5771 from cnoeabs.peaks (2.50, 0.71, 23.37 ppm; 3.77 A): 4 out of 4 assignments used, quality = 0.76: HE2 LYS 26 + QD2 LEU 76 OK 36 97 - 37 - 3.9/6114=7, 3.0/3255=5...(16) HE3 LYS 26 + QD2 LEU 76 OK 34 93 - 37 - 3.9/6114=7, 3.0/3255=5...(16) HG2 MET 48 + QD2 LEU 76 OK 28 71 - 39 - 3.3/4869=7, 1.8/4863=4...(18) HB2 TYR 32 + QD2 LEU 76 OK 20 98 - 20 - 2.5/4612=5, 4.4/4626=3...(7) Peak 5772 from cnoeabs.peaks (2.05, 0.71, 23.37 ppm; 3.59 A): 3 out of 8 assignments used, quality = 0.93: HA ALA 75 + QD2 LEU 76 OK 76 100 - 76 - 2.1/5763=17, 5764=14...(22) HG2 GLU 22 + QD2 LEU 76 OK 55 90 - 61 - 4465=15, 1.8/4462=14...(18) HB3 GLU 77 + QD2 LEU 76 OK 33 90 - 36 - 4.1/5786=6, 4.0/362=6...(14) HG3 GLU 33 - QD2 LEU 76 OK 23 98 - 23 - 2065/2.1=3, 3.0/3254=3...(11) HB2 MET 21 - QD2 LEU 76 OK 20 99 - 20 - 3.0/4432=3, 4.2/4441=2...(6) QE MET 21 - QD2 LEU 76 OK 19 100 - 19 - 4441=4, 3.4/4437=2...(5) HG3 GLN 55 - QD2 LEU 76 lone 8 95 - 8 - 5193/5786=1 HB2 GLN 55 - QD2 LEU 76 lone 8 93 - 8 - 5187/4673=1, 5186/4666=1 Peak 5773 from cnoeabs.peaks (1.25, 0.71, 23.37 ppm; 3.54 A): 8 out of 9 assignments used, quality = 0.95: HB3 LEU 23 + QD2 LEU 76 OK 63 97 - 65 - 4.6/5785=11, 3.9/5782=9...(22) HB2 LEU 79 + QD2 LEU 76 OK 56 100 - 56 - 3389=6, 6171/2.1=5...(27) HG3 LYS 65 + QD2 LEU 76 OK 34 93 - 37 - 5.0/5784=4, 6171/2.1=4...(15) HD3 LYS 68 + QD2 LEU 76 OK 15 76 - 20 - 3.5/6047=3, ~6115=2...(7) HD2 LYS 68 + QD2 LEU 76 OK 15 73 - 20 - 3.5/6047=3, ~6115=2...(7) HG2 LYS 17 + QD2 LEU 76 OK 13 97 - 13 - 4676/2.1=1, ~6171=1 HG3 LYS 56 + QD2 LEU 76 OK 12 57 - 22 - ~6206=4, 1.8/6207=4...(7) HG3 LYS 17 + QD2 LEU 76 OK 12 81 - 14 - ~4676=2, 6171/2.1=1, ~6115=1 HG13 ILE 35 - QD2 LEU 76 lone 3 83 - 4 - Peak 5774 from cnoeabs.peaks (7.03, 3.94, 58.16 ppm; 4.38 A): 2 out of 4 assignments used, quality = 0.91: QE PHE 80 + HA LEU 76 OK 85 100 - 85 - 2.2/4701=23, 4711=22...(23) QD PHE 46 + HA LEU 76 OK 36 97 - 37 - 5787/4.0=9, 4633/3.6=4...(13) HE ARG 45 - HA LEU 76 lone 5 76 - 6 - HD2 HIS 10 - HA LEU 76 lone 2 78 - 3 - Peak 5775 from cnoeabs.peaks (7.34, 1.95, 41.92 ppm; 5.81 A): 3 out of 5 assignments used, quality = 0.98: H ALA 75 + HB2 LEU 76 OK 90 93 - 96 - 1007/4.0=29, 5748/3.1=19...(31) QE PHE 46 + HB2 LEU 76 OK 58 100 - 58 - ~5787=11, 5777/1.8=11...(14) H GLU 25 + HB2 LEU 76 OK 50 87 - 58 - 1094/4.6=13, 353/4.0=12...(12) QD TYR 70 - HB2 LEU 76 OK 20 90 - 22 - 4.5/5647=4, 5777/1.8=3...(7) HZ PHE 46 - HB2 LEU 76 OK 20 68 - 29 - ~5777=8, ~5779=6...(6) Peak 5776 from cnoeabs.peaks (7.20, 1.95, 41.92 ppm; 5.48 A): 3 out of 3 assignments used, quality = 1.00: QD PHE 80 + HB2 LEU 76 OK 98 100 - 98 - 4701/2.9=24, ~5774=21...(29) H LYS 78 + HB2 LEU 76 OK 85 100 - 86 - 1009/4.6=21, 1097/2.9=19...(24) QE PHE 57 + HB2 LEU 76 OK 72 97 - 75 - 5778/1.8=12, 4666/3.1=12...(20) Peak 5777 from cnoeabs.peaks (7.34, 1.46, 41.92 ppm; 5.70 A): 3 out of 5 assignments used, quality = 0.94: H ALA 75 + HB3 LEU 76 OK 78 83 - 95 - 1007/4.0=26, 5748/3.1=16...(29) QE PHE 46 + HB3 LEU 76 OK 54 100 - 54 - ~5787=11, 5775/1.8=10...(12) H GLU 25 + HB3 LEU 76 OK 37 73 - 51 - 1094/4.6=11, 353/4.0=11...(12) HZ PHE 46 - HB3 LEU 76 OK 23 83 - 27 - ~5775=7, ~5779=6...(5) QD TYR 70 - HB3 LEU 76 OK 15 97 - 15 - 5775/1.8=3, 5707/6174=3...(4) Peak 5778 from cnoeabs.peaks (7.21, 1.46, 41.92 ppm; 5.44 A): 3 out of 3 assignments used, quality = 1.00: QD PHE 80 + HB3 LEU 76 OK 98 100 - 98 - 4701/2.9=24, ~5774=20...(36) H LYS 78 + HB3 LEU 76 OK 87 99 - 88 - 1009/4.6=20, 1097/2.9=19...(25) QE PHE 57 + HB3 LEU 76 OK 77 100 - 77 - 4666/3.1=12, 5776/1.8=11...(25) Peak 5779 from cnoeabs.peaks (7.36, 1.81, 26.77 ppm; 5.72 A): 2 out of 3 assignments used, quality = 0.97: H ALA 75 + HG LEU 76 OK 93 100 - 93 - 1007/4.9=28, 5748/2.1=21...(26) H GLU 25 + HG LEU 76 OK 52 100 - 52 - 1035/3.6=12, 353/4.9=11...(12) QE PHE 46 - HG LEU 76 OK 44 85 - 52 - ~5787=13, ~4735=9...(11) Peak 5780 from cnoeabs.peaks (7.20, 1.81, 26.77 ppm; 5.91 A): 3 out of 3 assignments used, quality = 1.00: QD PHE 80 + HG LEU 76 OK 96 100 - 96 - ~5787=25, 4701/3.6=24...(25) H LYS 78 + HG LEU 76 OK 82 100 - 82 - 1097/3.6=19, 1098/4.9=18...(24) QE PHE 57 + HG LEU 76 OK 75 97 - 77 - ~4673=14, 4666/2.1=12...(23) Peak 5781 from cnoeabs.peaks (7.18, 0.88, 26.00 ppm; 5.02 A): 3 out of 4 assignments used, quality = 0.95: QD PHE 80 + QD1 LEU 76 OK 68 76 - 90 - ~5787=20, 5786/2.1=20...(21) H LYS 78 + QD1 LEU 76 OK 62 85 - 73 - 5786/2.1=14, 1097/4.0=12...(22) QD PHE 57 + QD1 LEU 76 OK 56 76 - 73 - 4673/2.1=12, ~5256=11...(20) HD2 HIS 15 - QD1 LEU 76 lone 6 93 - 6 - 4299/6206=1 Peak 5782 from cnoeabs.peaks (8.37, 0.71, 23.37 ppm; 4.08 A): 2 out of 6 assignments used, quality = 0.86: H LEU 23 + QD2 LEU 76 OK 76 97 - 78 - 4.6/5785=15, 4468=12...(23) H ALA 72 + QD2 LEU 76 OK 44 68 - 64 - 2.9/5670=13, 2.9/5674=10...(21) H GLY 39 - QD2 LEU 76 lone 8 100 - 8 - 4.2/6207=3 H ARG 28 - QD2 LEU 76 poor 8 76 - 11 - 4557/2.1=2 H ASN 90 - QD2 LEU 76 lone 6 100 - 6 - 77/5785=1 H GLY 40 - QD2 LEU 76 lone 6 100 - 5 - Peak 5784 from cnoeabs.peaks (7.86, 0.71, 23.37 ppm; 4.74 A): 3 out of 4 assignments used, quality = 0.94: H PHE 80 + QD2 LEU 76 OK 73 99 - 74 - 5882/4.0=17, 4.0/5770=14...(18) H LYS 65 + QD2 LEU 76 OK 67 97 - 69 - 3.6/2822=11, 4.6/2832=8...(20) HD21 ASN 24 + QD2 LEU 76 OK 32 92 - 35 - 5.4/5785=18, 3.5/5770=5...(7) H LEU 12 - QD2 LEU 76 OK 22 100 - 22 - 525/3.1=3, 5788/4.0=3...(5) Peak 5785 from cnoeabs.peaks (7.76, 0.71, 23.37 ppm; 5.31 A): 1 out of 1 assignment used, quality = 0.57: H ASN 24 + QD2 LEU 76 OK 57 90 - 63 - 4.6/5782=17, 4492/2.1=12...(13) Peak 5786 from cnoeabs.peaks (7.19, 0.71, 23.37 ppm; 3.56 A): 3 out of 4 assignments used, quality = 0.92: QD PHE 80 + QD2 LEU 76 OK 70 95 - 74 - 4709=17, 2.2/5787=16...(17) H LYS 78 + QD2 LEU 76 OK 50 98 - 51 - 4240/4.0=7, 1098/4.8=6...(17) QE PHE 57 + QD2 LEU 76 OK 43 78 - 55 - 2.2/4673=10, 4666=10...(20) HD2 HIS 15 - QD2 LEU 76 lone 3 73 - 4 - Peak 5787 from cnoeabs.peaks (7.03, 0.71, 23.37 ppm; 4.16 A): 2 out of 4 assignments used, quality = 0.89: QE PHE 80 + QD2 LEU 76 OK 81 100 - 81 - 4727=18, 2.2/5786=18...(28) QD PHE 46 + QD2 LEU 76 OK 43 97 - 44 - 5774/4.0=6, 4735=6...(16) HE ARG 45 - QD2 LEU 76 lone 4 76 - 5 - HD2 HIS 10 - QD2 LEU 76 lone 3 78 - 3 - Peak 5788 from cnoeabs.peaks (7.87, 3.94, 58.16 ppm; 4.13 A): 4 out of 4 assignments used, quality = 0.86: H PHE 80 + HA LEU 76 OK 73 98 - 74 - 5882=23, 4.0/6111=16...(12) H LYS 65 + HA LEU 76 OK 24 65 - 37 - 5784/4.0=5, 4.9/3221=5...(13) HD21 ASN 24 + HA LEU 76 OK 19 100 - 19 - 3.5/6111=5, 5.4/78=4...(5) H LEU 12 + HA LEU 76 OK 14 90 - 15 - 525/2.9=2, 5784/4.0=2...(5) Peak 5789 from cnoeabs.peaks (5.04, 3.94, 58.16 ppm; 5.42 A): 2 out of 2 assignments used, quality = 0.88: HA PHE 80 + HA LEU 76 OK 79 97 - 81 - 3.0/6111=28, 3.0/5788=25...(13) HA VAL 47 + HA LEU 76 OK 40 99 - 40 - 6051/3.0=7, 3432/6111=4...(16) Peak 5790 from cnoeabs.peaks (7.86, 3.87, 58.49 ppm; 5.14 A): 3 out of 4 assignments used, quality = 0.52: H PHE 80 + HA GLU 77 OK 27 99 - 28 - 5823/3.6=15, 4.4/4082=7 H LYS 65 + HA GLU 77 OK 23 97 - 24 - 997/2.9=7, 5823/3.6=5...(6) HD21 ASN 24 + HA GLU 77 OK 15 92 - 16 - 5823/3.6=5, 4498/3.0=4 H LEU 12 - HA GLU 77 lone 9 100 - 9 - 5823/3.6=5 Peak 5791 from cnoeabs.peaks (8.55, 2.46, 36.55 ppm; 5.66 A): 6 out of 8 assignments used, quality = 0.94: H LEU 76 + HG3 GLU 77 OK 71 99 - 72 - 356/5.0=24, 1098/4.9=16...(17) H LEU 73 + HG3 GLU 77 OK 44 73 - 60 - 4.6/5794=19, 4.4/6103=19...(11) H ASP 82 + HG3 GLU 77 OK 32 97 - 33 - 1098/4.9=9, 356/5.0=8...(9) H LEU 76 + HG3 GLU 25 OK 22 50 - 44 - 4.6/879=13, 353/5.0=11...(11) H GLY 61 + HG3 GLU 77 OK 16 87 - 18 - 356/5.0=5, 1098/4.9=4...(4) H LEU 73 + HG3 GLU 25 OK 13 32 - 42 - 4.4/6103=10, 1077/5.0=7...(12) H ASP 82 - HG3 GLU 25 poor 5 49 - 10 - 356/879=2, 1098/368=1 H GLY 61 - HG3 GLU 25 lone 3 40 - 7 - 356/879=1 Peak 5792 from cnoeabs.peaks (8.56, 2.22, 36.55 ppm; 5.65 A): 6 out of 10 assignments used, quality = 0.93: H LEU 76 + HG2 GLU 77 OK 64 93 - 69 - 356/5.0=22, 1098/4.9=15...(16) H LEU 73 + HG2 GLU 77 OK 52 87 - 60 - 4.6/5795=21, 4.4/6105=12...(11) H ASP 82 + HG2 GLU 77 OK 29 90 - 32 - 1098/4.9=8, 356/5.0=8...(8) H LEU 76 + HG2 GLU 25 OK 22 52 - 43 - 4.6/878=13, 353/5.0=10...(10) H LEU 73 + HG2 GLU 25 OK 21 46 - 46 - 1077/5.0=8, 4.4/6105=7...(13) H GLY 61 + HG2 GLU 77 OK 13 73 - 18 - 356/5.0=5, 1098/4.9=4...(5) H GLY 29 - HG2 GLU 77 poor 10 60 - 16 - 343/5795=3, 631/3.7=2...(6) H ASP 82 - HG2 GLU 25 poor 5 49 - 10 - 356/878=2, 1098/367=1 H GLY 61 - HG2 GLU 25 lone 3 37 - 7 - H GLY 29 - HG2 GLU 25 lone 3 29 - 9 - 3196/6105=1, 343/5795=1 Peak 5794 from cnoeabs.peaks (7.78, 2.46, 36.55 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.73: H ALA 74 + HG3 GLU 77 OK 66 73 - 90 - 5795/1.8=35, 5796/5.0=24...(17) H ALA 74 + HG3 GLU 25 OK 20 32 - 64 - 2.9/5723=13, ~5722=12...(15) Peak 5795 from cnoeabs.peaks (7.78, 2.22, 36.55 ppm; 5.59 A): 2 out of 2 assignments used, quality = 0.70: H ALA 74 + HG2 GLU 77 OK 62 73 - 84 - 5794/1.8=26, 2.9/5722=21...(16) H ALA 74 + HG2 GLU 25 OK 22 37 - 58 - 2.9/5722=14, ~5723=9...(14) Peak 5798 from cnoeabs.peaks (4.14, 2.46, 36.55 ppm; 4.53 A): 2 out of 8 assignments used, quality = 0.93: HA MET 21 + HG3 GLU 77 OK 78 99 - 79 - 1511=16, 5799/1.8=14...(22) HA ALA 74 + HG3 GLU 77 OK 69 95 - 73 - 5722/1.8=17, 5723=15...(12) HA MET 21 - HG3 GLU 25 OK 23 50 - 45 - 4161/5.0=9, 1511=8...(13) HA ALA 74 - HG3 GLU 25 OK 22 46 - 48 - 5722/1.8=11, 5723=10...(14) HB THR 83 - HG3 GLU 77 OK 11 96 - 12 - 5799/1.8=2, 1095/5.0=1...(5) HB2 SER 62 - HG3 GLU 77 lone 3 87 - 4 - HB THR 83 - HG3 GLU 25 lone 3 47 - 6 - 1038/5.0=1, 604/4.9=1 HB2 SER 62 - HG3 GLU 25 lone 3 40 - 7 - 2794/4.0=1 Peak 5799 from cnoeabs.peaks (4.14, 2.22, 36.55 ppm; 4.50 A): 5 out of 8 assignments used, quality = 0.95: HA MET 21 + HG2 GLU 77 OK 69 99 - 70 - 1511/1.8=15, 4232/3.0=12...(21) HA ALA 74 + HG2 GLU 77 OK 68 95 - 72 - 5722=19, 2.9/5795=17...(11) HA ALA 74 + HG2 GLU 25 OK 25 53 - 47 - 5722=13, 1038/5.0=9...(12) HA MET 21 + HG2 GLU 25 OK 19 58 - 33 - 4161/5.0=9, 1511/1.8=7...(10) HB THR 83 + HG2 GLU 77 OK 10 96 - 10 - 5798/1.8=2, 1095/5.0=1...(5) HB THR 83 - HG2 GLU 25 lone 3 54 - 6 - 1038/5.0=1, 604/4.9=1 HB2 SER 62 - HG2 GLU 25 lone 3 46 - 6 - HB2 SER 62 - HG2 GLU 77 lone 3 87 - 3 - Peak 5800 from cnoeabs.peaks (1.61, 2.46, 36.55 ppm; 4.23 A): 7 out of 26 assignments used, quality = 0.84: HG LEU 73 + HG3 GLU 77 OK 58 98 - 59 - 2.1/6103=18, 5806/1.8=9...(18) HB2 LYS 68 + HG3 GLU 77 OK 22 99 - 22 - 5806/1.8=4, ~3051=3...(8) HG LEU 73 + HG3 GLU 25 OK 17 50 - 34 - 2.1/6103=10, ~6104=5...(10) HG LEU 87 + HG3 GLU 77 OK 15 100 - 15 - 4.9/3281=2, 5806/1.8=2...(5) HG LEU 23 + HG3 GLU 77 OK 14 100 - 14 - 2.1/5802=3, ~5804=3, 5806/1.8=2 HB2 LEU 87 + HG3 GLU 77 OK 13 97 - 13 - 4.2/3281=3, 5806/1.8=2...(5) HB2 LYS 68 + HG3 GLU 25 OK 11 51 - 21 - 3041/1.8=4, ~3051=3...(8) HG LEU 85 - HG3 GLU 77 lone 9 100 - 9 - 5806/1.8=2, 2.1/5801=1 HB3 LEU 85 - HG3 GLU 77 lone 8 85 - 9 - 4.3/3281=2, 5806/1.8=1 HG LEU 23 - HG3 GLU 25 poor 7 53 - 14 - ~1608=1, 5806/1.8=1...(5) HB2 LEU 12 - HG3 GLU 77 lone 6 97 - 6 - 3.0/5803=1, 3.1/5802=1 HG LEU 87 - HG3 GLU 25 lone 2 53 - 5 - HD3 LYS 65 - HG3 GLU 77 lone 2 60 - 3 - 2.8/5803=1 HB2 LEU 87 - HG3 GLU 25 lone 2 48 - 4 - HG LEU 85 - HG3 GLU 25 lone 2 52 - 3 - HB2 LEU 12 - HG3 GLU 25 lone 1 48 - 3 - HD3 LYS 91 - HG3 GLU 77 lone 1 65 - 2 - HD2 LYS 91 - HG3 GLU 77 lone 1 63 - 2 - HB3 LEU 85 - HG3 GLU 25 lone 1 39 - 3 - HD2 LYS 14 - HG3 GLU 77 lone 1 68 - 2 - HD3 LYS 14 - HG3 GLU 77 lone 1 65 - 2 - HD2 LYS 14 - HG3 GLU 25 lone 1 29 - 2 - HD3 LYS 14 - HG3 GLU 25 lone 1 28 - 2 - HD3 LYS 91 - HG3 GLU 25 lone 0 28 - 1 - HD2 LYS 91 - HG3 GLU 25 lone 0 27 - 1 - HD3 LYS 65 - HG3 GLU 25 lone 0 25 - 1 - Peak 5801 from cnoeabs.peaks (0.85, 2.46, 36.55 ppm; 4.55 A): 5 out of 16 assignments used, quality = 0.91: QD2 LEU 73 + HG3 GLU 77 OK 62 90 - 69 - 2.1/6103=21, 4.6/5794=12...(16) QB ALA 75 + HG3 GLU 77 OK 42 95 - 45 - 3.6/5791=7, 5741/4.9=6...(17) QD1 LEU 76 + HG3 GLU 77 OK 32 71 - 45 - 3.1/5803=8, 4.8/5791=6...(16) HD2 LYS 26 + HG3 GLU 77 OK 26 99 - 26 - 5.8/95=5, 5805/1.8=3...(8) QB ALA 75 + HG3 GLU 25 OK 19 46 - 42 - 3212/5.0=6, ~1644=6...(13) HD2 LYS 26 - HG3 GLU 25 OK 19 51 - 37 - 1718/4.9=19, ~6161=4...(9) QD2 LEU 87 - HG3 GLU 77 OK 19 96 - 20 - 2.1/5800=3, 4.8/3281=3...(8) QD2 LEU 30 - HG3 GLU 77 OK 18 95 - 19 - 2.1/5802=3, 5810/4.9=3...(7) QD2 LEU 73 - HG3 GLU 25 OK 18 43 - 42 - 2.1/6103=11, 6105/1.8=7...(13) QD2 LEU 85 - HG3 GLU 77 OK 11 85 - 12 - 2.1/5800=2, 3.1/5800=1...(4) QD2 LEU 30 - HG3 GLU 25 poor 5 46 - 12 - 609/4.9=3, 2.1/5802=1, ~6077=1 QG2 VAL 47 - HG3 GLU 77 lone 4 92 - 4 - QD1 LEU 76 - HG3 GLU 25 poor 4 31 - 13 - 6048/4.0=2, 4.8/5791=2...(4) QD2 LEU 87 - HG3 GLU 25 lone 4 47 - 8 - 609/4.9=2 QD2 LEU 85 - HG3 GLU 25 lone 2 39 - 6 - 609/4.9=2 QG2 VAL 47 - HG3 GLU 25 lone 2 44 - 4 - 609/4.9=2 Peak 5802 from cnoeabs.peaks (0.76, 2.46, 36.55 ppm; 3.93 A): 8 out of 16 assignments used, quality = 0.90: QD1 LEU 73 + HG3 GLU 77 OK 61 97 - 64 - 6103=20, 5804/1.8=9...(18) QG1 VAL 20 + HG3 GLU 77 OK 29 85 - 34 - 4395/1.8=8, 4.3/576=6...(12) QD1 LEU 73 + HG3 GLU 25 OK 18 48 - 39 - 6103=11, 6104/1.8=6...(14) HG2 LYS 26 + HG3 GLU 77 OK 18 89 - 20 - 4.9/95=4, 6103=3...(7) QD1 LEU 23 + HG3 GLU 77 OK 16 76 - 22 - 4483/4.9=4, 5804/1.8=3...(6) QD1 LEU 30 + HG3 GLU 77 OK 16 100 - 16 - 5811/4.9=3, 5804/1.8=3...(5) QD2 LEU 79 + HG3 GLU 77 OK 14 83 - 17 - 5870/4.9=5, 5804/1.8=3...(4) HG2 LYS 26 + HG3 GLU 25 OK 12 42 - 29 - 1698/4.9=13, ~6161=4...(8) QD1 LEU 79 - HG3 GLU 77 poor 9 63 - 14 - 5866/4.9=3, 2.1/5803=3, ~5804=2 QG1 VAL 20 - HG3 GLU 25 poor 8 39 - 20 - 4395/1.8=4, 4.3/576=3...(6) QD1 LEU 12 - HG3 GLU 77 lone 7 85 - 8 - 2.1/5803=1, 5811/4.9=1 QD1 LEU 23 - HG3 GLU 25 poor 7 34 - 20 - 5.0/4491=5, 4504/5.0=3...(7) QD1 LEU 30 - HG3 GLU 25 poor 6 52 - 11 - 607/4.9=2, 4504/5.0=2 QD1 LEU 12 - HG3 GLU 25 lone 2 39 - 6 - 607/4.9=1 QD2 LEU 79 - HG3 GLU 25 lone 2 38 - 6 - 4504/5.0=1 QD1 LEU 79 - HG3 GLU 25 lone 1 27 - 5 - Peak 5803 from cnoeabs.peaks (1.46, 2.46, 36.55 ppm; 5.11 A): 8 out of 16 assignments used, quality = 0.86: HB3 LEU 76 + HG3 GLU 77 OK 57 100 - 57 - 4.6/879=17, 4.0/5791=9...(17) HG3 LYS 78 + HG3 GLU 77 OK 29 100 - 30 - 4.9/4086=12, 359/5.0=4...(6) HG LEU 79 + HG3 GLU 77 OK 21 90 - 23 - 5864/4.9=6, ~5804=3...(6) HB3 LEU 76 + HG3 GLU 25 OK 12 53 - 23 - 4.6/879=11, 5777/5.0=4 HG LEU 12 + HG3 GLU 77 OK 11 100 - 11 - 885/4.9=2, 359/5.0=2...(4) HD2 LYS 64 + HG3 GLU 77 OK 10 100 - 11 - 359/5.0=4, 885/4.9=2 HG2 LYS 65 + HG3 GLU 77 OK 10 93 - 11 - 4034/5.0=4, 885/4.9=3 HG3 LYS 78 + HG3 GLU 25 OK 10 53 - 19 - 4.9/368=6, 5822/4.0=2...(6) HB3 LYS 64 - HG3 GLU 77 lone 8 85 - 9 - 359/5.0=3, 885/4.9=2 HB3 ARG 45 - HG3 GLU 77 lone 3 99 - 3 - HG LEU 79 - HG3 GLU 25 lone 3 43 - 7 - HG LEU 12 - HG3 GLU 25 lone 2 52 - 5 - HD2 LYS 64 - HG3 GLU 25 lone 2 52 - 4 - HG2 LYS 65 - HG3 GLU 25 lone 2 45 - 3 - HB3 LYS 64 - HG3 GLU 25 lone 1 39 - 3 - HB3 ARG 45 - HG3 GLU 25 lone 1 51 - 2 - Peak 5804 from cnoeabs.peaks (0.78, 2.22, 36.55 ppm; 4.21 A): 8 out of 12 assignments used, quality = 0.92: QD1 LEU 73 + HG2 GLU 77 OK 67 100 - 68 - 6103/1.8=19, 6104=12...(17) QD1 LEU 73 + HG2 GLU 25 OK 26 61 - 43 - 6103/1.8=11, 6104=8...(15) QD1 LEU 23 + HG2 GLU 77 OK 22 96 - 23 - 4483/4.9=6, 5802/1.8=3...(6) QD2 LEU 79 + HG2 GLU 77 OK 20 98 - 21 - 5870/4.9=6, 5802/1.8=2...(5) QD1 LEU 30 + HG2 GLU 77 OK 18 99 - 18 - 5811/4.9=3, 5802/1.8=3...(5) HG3 LYS 68 + HG2 GLU 77 OK 17 65 - 26 - 2.9/5806=4, 2.9/3051=3...(9) HG2 LYS 26 + HG2 GLU 77 OK 14 63 - 22 - 4.9/94=5, 5802/1.8=3...(9) QD1 LEU 23 + HG2 GLU 25 OK 10 54 - 19 - 4504/5.0=4, 1615/3.0=2...(7) HG2 LYS 26 - HG2 GLU 25 poor 9 31 - 29 - 1698/4.9=11, ~6161=4...(8) HG3 LYS 68 - HG2 GLU 25 poor 8 33 - 26 - 3.7/3111=4, 2.9/3051=3...(12) QD1 LEU 30 - HG2 GLU 25 poor 7 59 - 12 - 4504/5.0=2, 607/4.9=2 QD2 LEU 79 - HG2 GLU 25 lone 4 57 - 8 - 4504/5.0=1 Peak 5805 from cnoeabs.peaks (0.85, 2.22, 36.55 ppm; 4.74 A): 5 out of 16 assignments used, quality = 0.93: QD2 LEU 73 + HG2 GLU 77 OK 67 90 - 74 - ~6103=16, 4.6/5795=15...(18) QB ALA 75 + HG2 GLU 77 OK 43 95 - 46 - 3.6/5792=7, 5741/4.9=6...(17) QD1 LEU 76 + HG2 GLU 77 OK 33 71 - 46 - ~5803=7, 4080/5.0=6...(16) HD2 LYS 26 + HG2 GLU 77 OK 28 99 - 28 - 5.8/94=5, 5801/1.8=4...(9) QB ALA 75 + HG2 GLU 25 OK 24 53 - 46 - ~1644=7, 3212/5.0=7...(14) HD2 LYS 26 - HG2 GLU 25 OK 24 59 - 40 - 1718/4.9=21, ~6161=4...(11) QD2 LEU 73 - HG2 GLU 25 OK 23 49 - 47 - ~6103=9, 2.1/6104=8...(15) QD2 LEU 87 - HG2 GLU 77 OK 20 96 - 21 - 4.8/3275=3, 2.1/5806=3...(8) QD2 LEU 30 - HG2 GLU 77 OK 19 95 - 20 - 2.1/5804=3, 5810/4.9=3...(6) QD2 LEU 85 - HG2 GLU 77 OK 11 85 - 13 - 2.1/5806=2, 5801/1.8=2...(4) QD2 LEU 30 - HG2 GLU 25 poor 7 53 - 13 - 609/4.9=3, 2.1/5804=1, ~6077=1 QD1 LEU 76 - HG2 GLU 25 poor 5 36 - 14 - 6048/4.0=2, 4.8/5792=2...(4) QG2 VAL 47 - HG2 GLU 77 lone 5 92 - 5 - QD2 LEU 87 - HG2 GLU 25 lone 5 54 - 8 - 609/4.9=2 QD2 LEU 85 - HG2 GLU 25 lone 3 45 - 6 - 609/4.9=2 QG2 VAL 47 - HG2 GLU 25 lone 2 50 - 4 - 609/4.9=2 Peak 5806 from cnoeabs.peaks (1.61, 2.22, 36.55 ppm; 4.66 A): 9 out of 20 assignments used, quality = 0.93: HG LEU 73 + HG2 GLU 77 OK 64 100 - 64 - ~6103=15, 5800/1.8=13...(17) HB2 LYS 68 + HG2 GLU 77 OK 33 95 - 34 - 3041=5, 5800/1.8=5...(10) HG LEU 73 + HG2 GLU 25 OK 23 60 - 38 - ~6103=8, 2.1/6104=8...(12) HG LEU 87 + HG2 GLU 77 OK 18 99 - 18 - 5800/1.8=3, 4.9/3275=3...(5) HG LEU 23 + HG2 GLU 77 OK 18 100 - 18 - 2.1/5804=4, 5800/1.8=3...(4) HB2 LYS 68 + HG2 GLU 25 OK 18 53 - 33 - 3041=5, 1.8/3051=5...(13) HB2 LEU 87 + HG2 GLU 77 OK 15 89 - 16 - 4.2/3275=3, 5800/1.8=3...(5) HG LEU 85 + HG2 GLU 77 OK 11 97 - 11 - 5800/1.8=2, 2.1/5805=1...(4) HG LEU 23 + HG2 GLU 25 OK 10 59 - 17 - 2.1/5804=2, ~1608=2...(7) HB3 LEU 85 - HG2 GLU 77 poor 8 71 - 12 - 4.3/3275=2, 5800/1.8=2...(4) HB2 LEU 12 - HG2 GLU 77 lone 7 89 - 8 - 5800/1.8=1, ~5803=1 HG LEU 87 - HG2 GLU 25 lone 3 59 - 6 - HB2 LEU 87 - HG2 GLU 25 lone 2 48 - 5 - HG LEU 85 - HG2 GLU 25 lone 2 55 - 4 - HB2 LEU 12 - HG2 GLU 25 lone 2 48 - 4 - HD3 LYS 91 - HG2 GLU 77 lone 2 81 - 2 - HD2 LYS 91 - HG2 GLU 77 lone 2 78 - 2 - HB3 LEU 85 - HG2 GLU 25 lone 1 36 - 4 - HD3 LYS 91 - HG2 GLU 25 lone 1 42 - 2 - HD2 LYS 91 - HG2 GLU 25 lone 1 40 - 2 - Peak 5812 from cnoeabs.peaks (0.78, 4.26, 56.85 ppm; 6.18 A): 4 out of 6 assignments used, quality = 1.00: QD2 LEU 79 + HA LYS 78 OK 92 98 - 94 - 3412/3.6=24, 5815/3.7=18...(24) QD1 LEU 30 + HA LYS 78 OK 78 99 - 78 - 2.1/5813=13, 6033=11...(20) QD1 LEU 23 + HA LYS 78 OK 67 96 - 71 - 4483/2.9=14, 896/3.6=12...(21) QD1 LEU 73 + HA LYS 78 OK 58 100 - 58 - 6116/3.0=8, 5815/3.7=7...(18) HG3 LYS 68 - HA LYS 78 OK 17 65 - 26 - 896/3.6=4, 3.7/5818=3...(9) HG2 LYS 26 - HA LYS 78 OK 10 63 - 16 - 5811/2.9=3, ~5810=2...(5) Peak 5813 from cnoeabs.peaks (1.57, 4.26, 56.85 ppm; 4.82 A): 4 out of 7 assignments used, quality = 0.66: HG LEU 30 + HA LYS 78 OK 27 68 - 39 - 2.1/6033=9, 3.0/3291=6...(11) HD2 LYS 65 + HA LYS 78 OK 25 97 - 26 - 2.8/3292=5, 3.5/3294=4...(11) HD3 LYS 65 + HA LYS 78 OK 24 93 - 26 - 2.8/3292=5, 3.5/3294=4...(11) HB3 LEU 85 + HA LYS 78 OK 18 73 - 24 - 4.0/912=3, 4.3/405=3...(13) HD3 LYS 14 - HA LYS 78 lone 2 90 - 2 - HD2 LYS 14 - HA LYS 78 lone 2 89 - 2 - HB3 LYS 44 - HA LYS 78 lone 2 71 - 2 - Peak 5814 from cnoeabs.peaks (0.76, 1.70, 24.65 ppm; 4.09 A): 5 out of 8 assignments used, quality = 0.95: QD2 LEU 79 + HG2 LYS 78 OK 60 83 - 73 - 5815/1.8=13, 5849/3.5=9...(23) QD1 LEU 30 + HG2 LYS 78 OK 55 100 - 55 - 5815/1.8=8, 5817/2.9=6...(18) QD1 LEU 79 + HG2 LYS 78 OK 39 63 - 62 - ~5815=10, 4.0/5821=7...(22) QD1 LEU 23 + HG2 LYS 78 OK 35 76 - 46 - 5815/1.8=8, 6116/2.8=5...(18) QD1 LEU 73 + HG2 LYS 78 OK 33 97 - 34 - 5815/1.8=5, 6145/2.8=5...(13) QD1 LEU 12 - HG2 LYS 78 OK 28 85 - 33 - 4269/3.5=5, 4269/3.5=4...(14) QG1 VAL 20 - HG2 LYS 78 OK 14 85 - 17 - 5811/4.9=1, 5817/2.9=1...(5) HG2 LYS 26 - HG2 LYS 78 lone 8 89 - 9 - 5811/4.9=1 Peak 5815 from cnoeabs.peaks (0.78, 1.46, 24.65 ppm; 3.56 A): 4 out of 5 assignments used, quality = 0.91: QD2 LEU 79 + HG3 LYS 78 OK 67 100 - 67 - 5849/3.5=8, 5849/3.5=8...(25) QD1 LEU 23 + HG3 LYS 78 OK 40 99 - 41 - 4479/2.9=5, 4483/4.9=4...(17) QD1 LEU 30 + HG3 LYS 78 OK 39 97 - 40 - 5816/2.9=5, 5814/1.8=5...(17) QD1 LEU 73 + HG3 LYS 78 OK 28 100 - 28 - 6145/2.8=4, 5816/2.9=3...(13) HG3 LYS 68 - HG3 LYS 78 poor 8 78 - 10 - 5816/2.9=1 Peak 5816 from cnoeabs.peaks (0.78, 1.78, 28.25 ppm; 4.43 A): 3 out of 5 assignments used, quality = 0.95: QD2 LEU 79 + HD3 LYS 78 OK 77 100 - 77 - 5849/2.9=15, 5849/2.9=15...(23) QD1 LEU 30 + HD3 LYS 78 OK 54 97 - 56 - 5815/2.9=8, 5817/1.8=8...(17) QD1 LEU 23 + HD3 LYS 78 OK 52 99 - 53 - 5815/2.9=9, 4479=8...(20) QD1 LEU 73 - HD3 LYS 78 OK 32 100 - 32 - 5815/2.9=6, 6145/3.7=5...(9) HG3 LYS 68 - HD3 LYS 78 OK 12 78 - 15 - 5815/2.9=2, ~5551=1, 5550/1.8=1 Peak 5817 from cnoeabs.peaks (0.77, 1.92, 28.25 ppm; 4.41 A): 4 out of 7 assignments used, quality = 0.94: QD2 LEU 79 + HD2 LYS 78 OK 68 92 - 74 - 5815/2.9=13, 5849/2.9=13...(22) QD1 LEU 30 + HD2 LYS 78 OK 53 100 - 53 - 5816/1.8=9, 5815/2.9=8...(15) QD1 LEU 23 + HD2 LYS 78 OK 42 87 - 48 - 5816/1.8=8, 5815/2.9=8...(18) QD1 LEU 73 + HD2 LYS 78 OK 31 99 - 31 - 5815/2.9=6, 5816/1.8=5...(9) QD1 LEU 12 - HD2 LYS 78 OK 26 73 - 35 - 4269/2.9=5, 4269/2.9=5...(15) QG1 VAL 20 - HD2 LYS 78 OK 12 73 - 16 - 5814/2.9=2, 5811/6.2=1...(4) HG2 LYS 26 - HD2 LYS 78 lone 6 78 - 8 - Peak 5818 from cnoeabs.peaks (2.20, 4.26, 56.85 ppm; 5.19 A): 3 out of 4 assignments used, quality = 0.73: HG2 GLU 77 + HA LYS 78 OK 49 81 - 61 - 4085/2.9=15, ~4086=13...(11) HG2 GLU 25 + HA LYS 78 OK 28 85 - 34 - 367/2.9=8, ~368=7...(10) HG2 GLU 33 + HA LYS 78 OK 24 78 - 31 - 367/2.9=6, ~4237=4...(11) HE2 LYS 68 - HA LYS 78 poor 9 63 - 13 - 367/2.9=3, ~882=1...(4) Peak 5819 from cnoeabs.peaks (4.00, 1.87, 33.27 ppm; 5.00 A): 3 out of 6 assignments used, quality = 0.97: HA LEU 79 + HB3 LYS 78 OK 85 100 - 86 - 2.9/4089=19, 5822/2.8=14...(21) HA PRO 19 + HB3 LYS 78 OK 54 93 - 58 - 5821/2.8=8, 5822/2.8=8...(17) HD2 PRO 19 + HB3 LYS 78 OK 49 78 - 62 - 891/4.4=9, 5822/2.8=8...(23) HA GLU 25 - HB3 LYS 78 OK 13 60 - 22 - 5820/4.0=4, 5821/2.8=3...(9) HB3 SER 62 - HB3 LYS 78 lone 6 96 - 6 - HA3 GLY 16 - HB3 LYS 78 lone 4 60 - 7 - 5821/2.8=1, ~4300=1 Peak 5821 from cnoeabs.peaks (3.99, 1.70, 24.65 ppm; 5.51 A): 3 out of 7 assignments used, quality = 0.93: HA LEU 79 + HG2 LYS 78 OK 80 89 - 90 - 5822/1.8=17, 2.9/373=16...(24) HA PRO 19 + HG2 LYS 78 OK 55 100 - 55 - 5822/1.8=10, 5819/2.8=9...(15) HA GLU 25 + HG2 LYS 78 OK 20 89 - 22 - 5820/4.9=4, 5822/1.8=3...(9) HA3 GLY 16 - HG2 LYS 78 poor 9 89 - 10 - 3.0/4300=2, 4307=2, 5822/1.8=1 HA ALA 72 - HG2 LYS 78 poor 6 63 - 10 - ~6102=1 HB3 SER 62 - HG2 LYS 78 lone 6 100 - 6 - 5822/1.8=1, 5819/2.8=1 HA ALA 71 - HG2 LYS 78 lone 5 76 - 6 - Peak 5822 from cnoeabs.peaks (4.00, 1.46, 24.65 ppm; 5.10 A): 3 out of 6 assignments used, quality = 0.97: HA LEU 79 + HG3 LYS 78 OK 88 100 - 89 - 5819/2.8=14, 4.0/5815=14...(25) HA PRO 19 + HG3 LYS 78 OK 51 93 - 55 - 5821/1.8=10, 5819/2.8=9...(16) HD2 PRO 19 + HG3 LYS 78 OK 47 78 - 60 - 5819/2.8=8, 2.3/3330=6...(26) HA GLU 25 - HG3 LYS 78 OK 13 60 - 22 - 5821/1.8=4, 5820/4.9=3...(9) HB3 SER 62 - HG3 LYS 78 lone 6 96 - 6 - 5821/1.8=1, 5819/2.8=1 HA3 GLY 16 - HG3 LYS 78 lone 5 60 - 9 - 5821/1.8=2, ~4300=1 Peak 5824 from cnoeabs.peaks (6.93, 1.99, 33.27 ppm; 4.51 A): 2 out of 2 assignments used, quality = 0.98: HZ PHE 57 + HB2 LYS 78 OK 93 100 - 93 - 5826/2.8=23, 5825/1.8=23...(25) HZ PHE 80 + HB2 LYS 78 OK 70 100 - 70 - 5825/1.8=18, 5826/2.8=16...(12) Peak 5825 from cnoeabs.peaks (6.93, 1.87, 33.27 ppm; 4.36 A): 2 out of 2 assignments used, quality = 0.98: HZ PHE 57 + HB3 LYS 78 OK 93 100 - 93 - 5826/2.8=22, 2.2/4660=22...(26) HZ PHE 80 + HB3 LYS 78 OK 72 100 - 72 - 5824/1.8=16, 5826/2.8=15...(15) Peak 5826 from cnoeabs.peaks (6.93, 1.70, 24.65 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.94: HZ PHE 57 + HG2 LYS 78 OK 86 100 - 86 - 2.2/4662=17, 5825/2.8=14...(25) HZ PHE 80 + HG2 LYS 78 OK 58 99 - 59 - 5825/2.8=11, 5829/2.9=10...(14) Peak 5827 from cnoeabs.peaks (6.91, 1.46, 24.65 ppm; 4.80 A): 2 out of 3 assignments used, quality = 0.93: HZ PHE 57 + HG3 LYS 78 OK 80 85 - 94 - 5829/2.9=20, 5826/1.8=18...(26) HZ PHE 80 + HG3 LYS 78 OK 64 92 - 70 - 5829/2.9=15, 5825/2.8=13...(16) HD22 ASN 90 - HG3 LYS 78 lone 1 73 - 1 - Peak 5828 from cnoeabs.peaks (6.93, 1.92, 28.25 ppm; 4.65 A): 2 out of 2 assignments used, quality = 0.97: HZ PHE 57 + HD2 LYS 78 OK 91 100 - 91 - 5829/1.8=24, 5826/2.9=23...(23) HZ PHE 80 + HD2 LYS 78 OK 70 100 - 70 - 5829/1.8=19, 5826/2.9=16...(13) Peak 5829 from cnoeabs.peaks (6.92, 1.78, 28.25 ppm; 4.28 A): 2 out of 2 assignments used, quality = 0.96: HZ PHE 57 + HD3 LYS 78 OK 87 99 - 88 - 5826/2.9=20, 5828/1.8=19...(24) HZ PHE 80 + HD3 LYS 78 OK 67 100 - 67 - 5828/1.8=15, 5826/2.9=13...(14) Peak 5831 from cnoeabs.peaks (6.93, 3.09, 42.21 ppm; 5.15 A): 4 out of 4 assignments used, quality = 1.00: HZ PHE 57 + HE2 LYS 78 OK 90 100 - 90 - 5826/3.5=24, 5829/2.9=23...(17) HZ PHE 57 + HE3 LYS 78 OK 90 100 - 90 - 5826/3.5=24, 5829/2.9=23...(17) HZ PHE 80 + HE2 LYS 78 OK 75 100 - 75 - 5829/2.9=18, 5828/2.9=17...(13) HZ PHE 80 + HE3 LYS 78 OK 75 100 - 75 - 5829/2.9=18, 5828/2.9=17...(13) Peak 5832 from cnoeabs.peaks (6.80, 3.09, 42.21 ppm; 4.91 A): 2 out of 6 assignments used, quality = 0.80: HE21 GLN 55 + HE2 LYS 78 OK 55 100 - 55 - 5210=24, 5210/1.8=20...(5) HE21 GLN 55 + HE3 LYS 78 OK 55 100 - 55 - 5210=24, 5210/1.8=20...(5) QD TYR 32 - HE2 LYS 78 lone 8 87 - 9 - 5873/5849=2, 4606/2.9=1 QD TYR 32 - HE3 LYS 78 lone 8 87 - 9 - 5873/5849=2, 4606/2.9=1 QE TYR 70 - HE2 LYS 78 lone 7 100 - 7 - 5873/5849=1, 5609/2.9=1 QE TYR 70 - HE3 LYS 78 lone 7 100 - 7 - 5873/5849=1, 5609/2.9=1 Peak 5833 from cnoeabs.peaks (0.77, 3.09, 42.21 ppm; 4.32 A): 4 out of 14 assignments used, quality = 0.95: QD2 LEU 79 + HE2 LYS 78 OK 63 92 - 68 - 5849=18, 5849/1.8=16...(18) QD2 LEU 79 + HE3 LYS 78 OK 63 92 - 68 - 5849=18, 5849/1.8=15...(18) QD1 LEU 30 + HE2 LYS 78 OK 41 100 - 41 - 5817/2.9=7, 5816/2.9=7...(13) QD1 LEU 30 + HE3 LYS 78 OK 41 100 - 41 - 5817/2.9=7, 5816/2.9=7...(13) QD1 LEU 23 - HE2 LYS 78 OK 32 87 - 38 - 5815/3.5=7, 5816/2.9=6...(11) QD1 LEU 23 - HE3 LYS 78 OK 32 87 - 38 - 5815/3.5=7, 5816/2.9=6...(11) QD1 LEU 73 - HE2 LYS 78 OK 26 99 - 26 - 5815/3.5=5, 5817/2.9=4...(9) QD1 LEU 73 - HE3 LYS 78 OK 26 99 - 26 - 5815/3.5=5, 5817/2.9=4...(9) QD1 LEU 12 - HE2 LYS 78 OK 24 73 - 33 - 4269/1.8=6, 4269=4...(13) QD1 LEU 12 - HE3 LYS 78 OK 24 73 - 33 - 4269/1.8=6, 4269=4...(13) QG1 VAL 20 - HE2 LYS 78 poor 8 73 - 11 - 5817/2.9=2, 5814/3.5=2 QG1 VAL 20 - HE3 LYS 78 poor 8 73 - 11 - 5817/2.9=2, 5814/3.5=2 HG2 LYS 26 - HE2 LYS 78 lone 5 78 - 6 - HG2 LYS 26 - HE3 LYS 78 lone 5 78 - 6 - Peak 5838 from cnoeabs.peaks (1.99, 1.25, 42.76 ppm; 6.20 A): 5 out of 12 assignments used, quality = 1.00: HB3 PRO 19 + HB2 LEU 79 OK 92 100 - 92 - ~1484=14, ~1456=14...(34) HB2 PRO 19 + HB2 LEU 79 OK 92 99 - 92 - ~1484=14, ~1456=14...(34) HB2 LYS 78 + HB2 LEU 79 OK 90 99 - 91 - 4.4/3384=23, ~5819=15...(27) HE3 LYS 68 + HB2 LEU 79 OK 59 100 - 59 - 3.7/3390=7, ~5565=7...(21) HG2 PRO 19 + HB2 LEU 79 OK 58 68 - 85 - ~1484=15, 2.3/3385=13...(25) HB3 PRO 81 - HB2 LEU 79 OK 43 90 - 48 - ~5916=13, ~5841=11...(8) HB2 GLN 58 - HB2 LEU 79 OK 19 71 - 26 - ~5288=6, 4.6/3384=4...(10) HB2 GLU 77 - HB2 LEU 79 OK 18 65 - 28 - 4.1/5856=13, ~5803=3...(7) HB2 GLU 25 - HB2 LEU 79 OK 14 99 - 14 - 4.1/4502=2, 371/4.0=2 HG2 PRO 84 - HB2 LEU 79 OK 12 97 - 12 - 371/4.0=2, ~5840=2 HB2 LEU 34 - HB2 LEU 79 lone 7 98 - 7 - HB2 GLU 51 - HB2 LEU 79 lone 6 87 - 7 - 371/4.0=1 Peak 5839 from cnoeabs.peaks (0.92, 1.25, 42.76 ppm; 5.19 A): 3 out of 7 assignments used, quality = 0.97: QD2 LEU 23 + HB2 LEU 79 OK 91 100 - 91 - 2.1/3390=15, 1609=14...(36) QG2 VAL 52 + HB2 LEU 79 OK 48 76 - 63 - ~5847=15, ~5132=9...(16) QG1 VAL 52 + HB2 LEU 79 OK 39 63 - 62 - ~5847=15, ~5132=9...(15) HB3 LEU 30 - HB2 LEU 79 OK 35 87 - 41 - 3.1/6078=9, 5834/4.0=5...(14) HD3 LYS 26 - HB2 LEU 79 OK 27 87 - 31 - 1732/3.1=3, 5834/4.0=3...(13) QD1 LEU 87 - HB2 LEU 79 OK 13 76 - 17 - 4.7/3384=5, 5834/4.0=4 QD1 LEU 85 - HB2 LEU 79 lone 6 68 - 9 - 5834/4.0=3 Peak 5840 from cnoeabs.peaks (1.87, 4.01, 55.46 ppm; 4.80 A): 3 out of 12 assignments used, quality = 0.99: HB3 LYS 78 + HA LEU 79 OK 85 100 - 85 - 4089/2.9=19, 5819=18...(22) HG3 PRO 19 + HA LEU 79 OK 77 100 - 77 - 1484=16, 1.8/1477=14...(17) HG2 PRO 81 + HA LEU 79 OK 61 99 - 62 - 2.3/5916=15, 5877/3.6=10...(14) HB ILE 35 - HA LEU 79 OK 25 100 - 25 - ~4710=3, ~4720=3...(10) HB2 GLU 49 - HA LEU 79 OK 19 76 - 25 - 4934/2.9=4, ~4941=4...(8) HB2 GLU 22 - HA LEU 79 OK 18 68 - 27 - 4.6/1029=5, 3.0/4457=3...(12) HB3 GLN 58 - HA LEU 79 OK 17 76 - 22 - 5288/4.0=4, 4.6/3377=3...(9) HB3 PRO 84 - HA LEU 79 OK 16 93 - 17 - 372/2.9=2, 5877/3.6=2...(5) HB3 MET 11 - HA LEU 79 OK 12 73 - 16 - 4.2/4096=7, 4.3/6117=2...(4) HB2 MET 11 - HA LEU 79 OK 11 68 - 16 - 4.2/4096=7, 4.3/6117=2...(4) HB3 GLU 37 - HA LEU 79 lone 8 99 - 8 - 372/2.9=1 HB VAL 66 - HA LEU 79 lone 4 68 - 6 - 2.1/4277=1 Peak 5841 from cnoeabs.peaks (3.17, 4.01, 55.46 ppm; 4.55 A): 2 out of 5 assignments used, quality = 0.93: HB2 PHE 80 + HA LEU 79 OK 80 96 - 84 - ~4710=20, 899/3.6=17...(16) HD3 PRO 81 + HA LEU 79 OK 67 97 - 68 - 5906/3.6=21, 5916=17...(14) HB2 PHE 57 - HA LEU 79 OK 24 100 - 24 - 4.4/5859=7, 5836/2.9=5...(5) HD2 ARG 27 - HA LEU 79 OK 15 87 - 18 - 5836/2.9=3, 899/3.6=3...(6) HD2 ARG 28 - HA LEU 79 lone 6 100 - 6 - 5836/2.9=1 Peak 5842 from cnoeabs.peaks (0.93, 0.38, 42.76 ppm; 5.47 A): 3 out of 5 assignments used, quality = 0.98: QD2 LEU 23 + HB3 LEU 79 OK 85 95 - 90 - 5839/1.8=14, 2.1/3397=14...(33) QG2 VAL 52 + HB3 LEU 79 OK 64 95 - 68 - ~5847=16, 5132/3.1=11...(18) QG1 VAL 52 + HB3 LEU 79 OK 59 87 - 68 - ~5847=16, 5132/3.1=11...(17) HB3 LEU 30 - HB3 LEU 79 OK 27 63 - 42 - ~6078=8, 5839/1.8=6...(15) HD3 LYS 26 - HB3 LEU 79 OK 19 63 - 30 - 5839/1.8=4, 4725/4728=4...(13) Peak 5843 from cnoeabs.peaks (4.24, 0.78, 21.77 ppm; 4.61 A): 3 out of 6 assignments used, quality = 0.96: HA LYS 78 + QD2 LEU 79 OK 75 92 - 82 - 3.6/3412=18, 3.7/5815=13...(24) HA ASP 53 + QD2 LEU 79 OK 74 100 - 74 - ~5846=24, 3.0/5851=20...(13) HA LEU 87 + QD2 LEU 79 OK 32 100 - 32 - 2.9/3412=7, 370/4.8=4...(9) HA LEU 30 - QD2 LEU 79 OK 22 90 - 25 - 3.0/1888=3, 3.0/1895=3...(12) HA LEU 85 - QD2 LEU 79 lone 8 87 - 10 - 370/4.8=3 HA ALA 89 - QD2 LEU 79 lone 5 97 - 5 - Peak 5844 from cnoeabs.peaks (4.26, 0.74, 26.10 ppm; 5.14 A): 3 out of 8 assignments used, quality = 0.97: HA VAL 52 + QD1 LEU 79 OK 75 99 - 76 - 3.0/5847=22, 3.6/6175=20...(17) HA LYS 78 + QD1 LEU 79 OK 74 98 - 76 - 3.6/3405=17, 2.9/5866=12...(19) HA ASP 53 + QD1 LEU 79 OK 50 63 - 79 - 3.0/5846=44, 2.9/6175=21...(11) HA LEU 87 - QD1 LEU 79 OK 27 78 - 34 - 2.9/3405=7, ~3412=5...(8) HA LEU 85 - QD1 LEU 79 OK 11 99 - 11 - 370/4.8=4 HA ALA 86 - QD1 LEU 79 poor 7 68 - 10 - 3.6/3405=6, 4125/4.8=2 HA ALA 89 - QD1 LEU 79 lone 5 95 - 5 - 370/4.8=1 HA3 GLY 39 - QD1 LEU 79 lone 3 99 - 3 - Peak 5845 from cnoeabs.peaks (2.90, 0.74, 26.10 ppm; 4.41 A): 2 out of 8 assignments used, quality = 0.95: HB3 PHE 80 + QD1 LEU 79 OK 81 95 - 86 - 4.4/5868=22, 2.5/5866=19...(18) HB2 ASP 53 + QD1 LEU 79 OK 73 100 - 73 - 1.8/5846=45, ~5851=16...(10) HB2 ASN 24 - QD1 LEU 79 OK 23 71 - 32 - 3.5/4500=6, 3.5/4497=4...(11) HE3 LYS 65 - QD1 LEU 79 OK 19 96 - 19 - 5.8/5455=3, 5850/2.1=3...(6) HE2 LYS 65 - QD1 LEU 79 OK 17 90 - 19 - 5.8/5455=3, 5850/2.1=2...(6) HB2 ASN 63 - QD1 LEU 79 lone 8 89 - 9 - 5850/2.1=1, 4718/5868=1 HE3 LYS 14 - QD1 LEU 79 lone 5 95 - 5 - HE2 LYS 14 - QD1 LEU 79 lone 5 90 - 5 - Peak 5846 from cnoeabs.peaks (2.77, 0.74, 26.10 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.55: HB3 ASP 53 + QD1 LEU 79 OK 55 97 - 57 - 5142=22, 5851/2.1=15...(11) Peak 5847 from cnoeabs.peaks (2.16, 0.74, 26.10 ppm; 3.41 A): 3 out of 3 assignments used, quality = 0.77: HB VAL 52 + QD1 LEU 79 OK 52 100 - 52 - 5117=11, 2.1/5132=11...(14) HG2 GLN 55 + QD1 LEU 79 OK 38 100 - 38 - 5117=8, 1.8/5848=5...(11) HB3 MET 21 + QD1 LEU 79 OK 22 92 - 24 - 3.0/4432=3, 2.9/4437=3...(8) Peak 5848 from cnoeabs.peaks (2.04, 0.74, 26.10 ppm; 3.87 A): 5 out of 9 assignments used, quality = 0.94: HB2 LEU 23 + QD1 LEU 79 OK 61 85 - 71 - 1.8/3407=9, 3.1/3411=8...(31) HG3 GLN 55 + QD1 LEU 79 OK 47 100 - 47 - 1.8/5847=14, ~5852=6...(14) HB2 GLN 55 + QD1 LEU 79 OK 47 100 - 47 - 2.9/5847=11, 5170=6...(14) HA ALA 75 + QD1 LEU 79 OK 31 89 - 35 - 5764=8, 5746/4.8=7...(10) HB2 MET 21 + QD1 LEU 79 OK 24 76 - 32 - 1.8/5847=8, 3.0/4432=4...(9) QE MET 21 - QD1 LEU 79 OK 23 81 - 29 - 4441=6, 4.2/5847=5...(8) HB3 GLU 49 - QD1 LEU 79 OK 13 89 - 15 - 4.3/6175=3, 4938/4.8=1...(4) HG2 GLU 49 - QD1 LEU 79 OK 12 85 - 14 - 4936/4.8=2, 4975/3.1=1 HG3 GLU 33 - QD1 LEU 79 lone 2 71 - 3 - Peak 5849 from cnoeabs.peaks (3.08, 0.78, 21.77 ppm; 4.60 A): 2 out of 5 assignments used, quality = 0.87: HE3 LYS 78 + QD2 LEU 79 OK 64 100 - 65 - 3.5/5815=14, 2.9/5816=12...(18) HE2 LYS 78 + QD2 LEU 79 OK 64 100 - 65 - 3.5/5815=14, 2.9/5816=12...(18) HB2 HIS 42 - QD2 LEU 79 lone 2 78 - 3 - HB2 HIS 10 - QD2 LEU 79 lone 1 65 - 2 - HB3 HIS 10 - QD2 LEU 79 lone 1 63 - 2 - Peak 5850 from cnoeabs.peaks (2.90, 0.78, 21.77 ppm; 5.00 A): 2 out of 8 assignments used, quality = 0.97: HB3 PHE 80 + QD2 LEU 79 OK 84 95 - 89 - ~4710=23, 2.5/5870=19...(18) HB2 ASP 53 + QD2 LEU 79 OK 80 100 - 80 - ~5846=37, 1.8/5851=28...(9) HB2 ASN 24 - QD2 LEU 79 OK 29 71 - 41 - 3.5/4101=6, 3.7/83=6...(13) HE3 LYS 65 - QD2 LEU 79 OK 23 96 - 24 - 5.8/5456=5, 5845/2.1=4...(5) HE2 LYS 65 - QD2 LEU 79 OK 21 90 - 23 - 5.8/5456=5, 5845/2.1=3...(5) HB2 ASN 63 - QD2 LEU 79 OK 13 89 - 14 - 4.0/5869=3, 5845/2.1=2 HE3 LYS 14 - QD2 LEU 79 lone 6 95 - 6 - HE2 LYS 14 - QD2 LEU 79 lone 6 90 - 6 - Peak 5851 from cnoeabs.peaks (2.78, 0.78, 21.77 ppm; 4.75 A): 3 out of 3 assignments used, quality = 0.82: HB3 ASP 53 + QD2 LEU 79 OK 73 100 - 73 - 5846/2.1=42, 3.0/5843=11...(9) HB3 PHE 57 + QD2 LEU 79 OK 27 83 - 33 - 5.8/5872=10, 4.4/5870=10...(5) HE3 LYS 56 + QD2 LEU 79 OK 11 63 - 18 - 7.4/3412=3, ~6177=3...(4) Peak 5852 from cnoeabs.peaks (2.15, 0.78, 21.77 ppm; 5.35 A): 3 out of 3 assignments used, quality = 0.93: HG2 GLN 55 + QD2 LEU 79 OK 69 96 - 72 - 3.5/5873=23, 3.5/5869=22...(16) HB VAL 52 + QD2 LEU 79 OK 67 99 - 68 - 5847/2.1=22, 4.4/6176=13...(17) HB3 MET 21 + QD2 LEU 79 OK 33 100 - 33 - 5847/2.1=9, ~4437=5...(8) Peak 5856 from cnoeabs.peaks (7.19, 1.25, 42.76 ppm; 4.12 A): 3 out of 3 assignments used, quality = 1.00: QD PHE 80 + HB2 LEU 79 OK 95 99 - 96 - 4710/1.8=34, ~4728=25...(26) QE PHE 57 + HB2 LEU 79 OK 71 90 - 78 - 4666/3.1=13, 5861/1.8=11...(23) H LYS 78 + HB2 LEU 79 OK 68 100 - 68 - 1010/4.0=14, 5861/1.8=11...(18) Peak 5857 from cnoeabs.peaks (7.03, 1.25, 42.76 ppm; 4.67 A): 1 out of 4 assignments used, quality = 0.99: QE PHE 80 + HB2 LEU 79 OK 99 100 - 99 - 4728/1.8=45, ~4710=29...(33) QD PHE 46 - HB2 LEU 79 OK 22 97 - 23 - 5862/1.8=6, 901/4.6=6...(8) HE ARG 45 - HB2 LEU 79 lone 7 76 - 9 - 5862/1.8=2, 901/4.6=2 HD2 HIS 10 - HB2 LEU 79 lone 2 78 - 3 - Peak 5858 from cnoeabs.peaks (6.92, 1.25, 42.76 ppm; 6.17 A): 2 out of 2 assignments used, quality = 1.00: HZ PHE 80 + HB2 LEU 79 OK 99 100 - 99 - ~4728=45, ~5899=38...(21) HZ PHE 57 + HB2 LEU 79 OK 92 99 - 94 - 5863/1.8=22, 5872/3.1=22...(21) Peak 5859 from cnoeabs.peaks (7.20, 4.01, 55.46 ppm; 4.33 A): 3 out of 3 assignments used, quality = 0.99: QD PHE 80 + HA LEU 79 OK 93 100 - 93 - 4710/2.9=31, ~4728=20...(22) H LYS 78 + HA LEU 79 OK 74 100 - 74 - 1010/2.9=20, 5823/3.6=13...(16) QE PHE 57 + HA LEU 79 OK 70 97 - 72 - 369/2.9=12, 4666/4.0=12...(20) Peak 5861 from cnoeabs.peaks (7.19, 0.38, 42.76 ppm; 4.29 A): 3 out of 3 assignments used, quality = 1.00: QD PHE 80 + HB3 LEU 79 OK 96 99 - 97 - 2.2/4728=38, 4710=37...(25) QE PHE 57 + HB3 LEU 79 OK 72 90 - 80 - 4666/3.1=14, 5856/1.8=12...(22) H LYS 78 + HB3 LEU 79 OK 70 100 - 70 - 4.6/893=26, 5856/1.8=12...(14) Peak 5862 from cnoeabs.peaks (7.03, 0.38, 42.76 ppm; 4.67 A): 1 out of 4 assignments used, quality = 0.99: QE PHE 80 + HB3 LEU 79 OK 99 100 - 99 - 4728=50, 2.2/4710=33...(34) QD PHE 46 - HB3 LEU 79 OK 21 90 - 23 - 5857/1.8=7, 901/4.6=6...(6) HE ARG 45 - HB3 LEU 79 lone 8 87 - 8 - 5857/1.8=2, 901/4.6=2 HD2 HIS 10 - HB3 LEU 79 lone 2 65 - 3 - Peak 5863 from cnoeabs.peaks (6.93, 0.38, 42.76 ppm; 5.57 A): 2 out of 2 assignments used, quality = 1.00: HZ PHE 80 + HB3 LEU 79 OK 98 100 - 98 - 2.2/4728=49, 3.8/4710=32...(17) HZ PHE 57 + HB3 LEU 79 OK 91 100 - 91 - 5872/3.1=21, 5853/4.0=18...(19) Peak 5864 from cnoeabs.peaks (7.19, 1.48, 26.77 ppm; 4.84 A): 3 out of 8 assignments used, quality = 0.99: QD PHE 80 + HG LEU 79 OK 93 95 - 98 - 4710/3.0=35, ~5868=27...(28) H LYS 78 + HG LEU 79 OK 77 98 - 79 - 1010/5.0=14, 5870/2.1=14...(22) QE PHE 57 + HG LEU 79 OK 69 78 - 88 - 2.2/5865=17, 4666/2.1=17...(23) QD PHE 80 - HG LEU 12 OK 24 61 - 39 - ~4256=8, 4.4/383=5...(14) H LYS 78 - HG LEU 12 OK 23 66 - 35 - 4.6/894=4, 885=3...(15) QE PHE 57 - HG LEU 12 OK 10 47 - 21 - 4666/2.1=2, 2.2/5865=2...(8) HD2 HIS 15 - HG LEU 79 lone 2 73 - 2 - HD2 HIS 15 - HG LEU 12 lone 1 44 - 3 - 4297/3.0=2 Peak 5865 from cnoeabs.peaks (6.92, 1.48, 26.77 ppm; 4.18 A): 2 out of 6 assignments used, quality = 0.97: HZ PHE 80 + HG LEU 79 OK 89 97 - 91 - 5872/2.1=24, 5867/2.1=22...(19) HZ PHE 57 + HG LEU 79 OK 71 93 - 77 - 5872/2.1=19, 5867/2.1=16...(17) HZ PHE 80 - HG LEU 12 OK 16 65 - 24 - ~4256=6, 4729/2.1=2...(10) HZ PHE 57 - HG LEU 12 poor 10 60 - 16 - 2.2/4663=2, ~5992=2...(8) HD22 ASN 90 - HG LEU 79 lone 1 60 - 1 - HD22 ASN 90 - HG LEU 12 lone 0 35 - 1 - Peak 5866 from cnoeabs.peaks (7.20, 0.74, 26.10 ppm; 3.27 A): 3 out of 3 assignments used, quality = 0.97: QD PHE 80 + QD1 LEU 79 OK 85 100 - 85 - 2.2/5868=21, 4710/3.1=16...(24) QE PHE 57 + QD1 LEU 79 OK 67 97 - 70 - 4666=17, 2.2/5867=10...(23) H LYS 78 + QD1 LEU 79 OK 49 100 - 49 - 5870/2.1=8, 1010/4.8=7...(15) Peak 5867 from cnoeabs.peaks (6.91, 0.74, 26.10 ppm; 3.95 A): 2 out of 3 assignments used, quality = 0.94: HZ PHE 80 + QD1 LEU 79 OK 83 92 - 91 - 2.2/5868=30, 5872/2.1=21...(22) HZ PHE 57 + QD1 LEU 79 OK 62 85 - 73 - 5872/2.1=17, 2.2/4666=16...(20) HD22 ASN 90 - QD1 LEU 79 lone 1 73 - 1 - Peak 5868 from cnoeabs.peaks (7.04, 0.74, 26.10 ppm; 3.94 A): 1 out of 3 assignments used, quality = 0.86: QE PHE 80 + QD1 LEU 79 OK 86 93 - 93 - 4728/3.1=25, 2.2/5867=20...(30) QD PHE 46 - QD1 LEU 79 poor 9 65 - 14 - 5862/3.1=3, 5857/3.1=3...(4) HE ARG 45 - QD1 LEU 79 lone 5 99 - 5 - 5862/3.1=1 Peak 5869 from cnoeabs.peaks (7.54, 0.78, 21.77 ppm; 4.09 A): 2 out of 4 assignments used, quality = 0.66: HE22 GLN 55 + QD2 LEU 79 OK 50 100 - 50 - 1.7/5873=22, 5204=16...(8) H ALA 69 + QD2 LEU 79 OK 31 87 - 36 - 323=6, 5581/2.1=5...(12) H ASN 63 - QD2 LEU 79 lone 9 89 - 10 - 5403/4726=1 H SER 36 - QD2 LEU 79 lone 3 76 - 3 - Peak 5870 from cnoeabs.peaks (7.19, 0.78, 21.77 ppm; 3.53 A): 3 out of 3 assignments used, quality = 0.98: QD PHE 80 + QD2 LEU 79 OK 88 99 - 89 - 4710/3.1=19, 5866/2.1=15...(24) QE PHE 57 + QD2 LEU 79 OK 66 90 - 73 - 2.2/5872=15, 4666/2.1=13...(28) H LYS 78 + QD2 LEU 79 OK 61 100 - 62 - 5866/2.1=9, 4.6/3412=8...(20) Peak 5872 from cnoeabs.peaks (6.92, 0.78, 21.77 ppm; 3.42 A): 2 out of 2 assignments used, quality = 0.91: HZ PHE 80 + QD2 LEU 79 OK 77 100 - 77 - 5867/2.1=14, ~5868=14...(20) HZ PHE 57 + QD2 LEU 79 OK 61 99 - 62 - 5867/2.1=10, 2.2/5870=10...(20) Peak 5873 from cnoeabs.peaks (6.80, 0.78, 21.77 ppm; 3.79 A): 3 out of 3 assignments used, quality = 0.67: HE21 GLN 55 + QD2 LEU 79 OK 47 100 - 47 - 1.7/5869=18, 5203=17...(8) QD TYR 32 + QD2 LEU 79 OK 25 87 - 29 - 4611=6, 2.5/4616=3...(8) QE TYR 70 + QD2 LEU 79 OK 18 100 - 18 - 5615=4, 2.2/4699=3...(4) Peak 5874 from cnoeabs.peaks (7.03, 0.79, 22.27 ppm; 3.40 A): 1 out of 4 assignments used, quality = 0.55: QE PHE 80 + QD1 LEU 23 OK 55 100 - 55 - 2.2/4483=15, 4726=10...(16) QD PHE 46 - QD1 LEU 23 lone 5 97 - 5 - 3447/4483=1 HE ARG 45 - QD1 LEU 23 lone 1 76 - 1 - HD2 HIS 10 - QD1 LEU 23 lone 1 78 - 1 - Peak 5875 from cnoeabs.peaks (5.06, 4.01, 55.46 ppm; 5.57 A): 2 out of 2 assignments used, quality = 0.93: HA PHE 80 + HA LEU 79 OK 89 99 - 90 - ~382=28, 5837/2.9=27...(14) HA VAL 47 + HA LEU 79 OK 37 97 - 38 - 898/3.6=12, 5837/2.9=12...(8) Peak 5876 from cnoeabs.peaks (5.06, 1.25, 42.76 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.95: HA PHE 80 + HB2 LEU 79 OK 93 96 - 97 - ~382=41, 5875/2.9=29...(23) HA VAL 47 + HB2 LEU 79 OK 35 90 - 39 - 5875/2.9=12, 5837/4.0=12...(5) Peak 5880 from cnoeabs.peaks (3.38, 5.05, 54.37 ppm; 3.24 A): 2 out of 2 assignments used, quality = 0.89: HD2 PRO 81 + HA PHE 80 OK 86 99 - 87 - 3.8=64, 1.8/5908=21...(18) HA VAL 20 + HA PHE 80 OK 23 98 - 23 - 3461/3.8=6, 5879/3.0=6...(7) Peak 5883 from cnoeabs.peaks (3.94, 3.18, 38.95 ppm; 4.28 A): 4 out of 6 assignments used, quality = 0.94: HA LEU 76 + HB2 PHE 80 OK 86 100 - 86 - 6111/1.8=26, 4701/2.5=22...(20) HA LEU 23 + HB2 PHE 80 OK 38 97 - 39 - 4701/2.5=11, 4711/4.4=7...(7) HA ALA 72 + HB2 PHE 80 OK 24 85 - 29 - 4701/2.5=6, 5892/1.8=5...(7) HA ALA 71 + HB2 PHE 80 OK 17 73 - 23 - 5892/1.8=3, 5655=3...(8) HA GLU 25 - HB2 PHE 80 poor 7 57 - 13 - 4505/1.8=3, ~86=3...(4) HA3 GLY 16 - HB2 PHE 80 lone 3 57 - 5 - 5882/4.0=1 Peak 5884 from cnoeabs.peaks (2.52, 3.18, 38.95 ppm; 4.64 A): 4 out of 5 assignments used, quality = 0.95: HE3 LYS 26 + HB2 PHE 80 OK 71 100 - 71 - 5889/1.8=16, 4702/2.5=14...(14) HE2 LYS 26 + HB2 PHE 80 OK 71 100 - 71 - 5889/1.8=16, 4702/2.5=14...(14) HB3 PHE 46 + HB2 PHE 80 OK 22 57 - 38 - 2.4/3429=9, ~3447=7...(8) HG2 MET 48 + HB2 PHE 80 OK 20 98 - 21 - 4702/2.5=6, 4719/4.4=5...(7) HB2 TYR 32 - HB2 PHE 80 lone 9 99 - 9 - 4702/2.5=2, 4719/4.4=2 Peak 5885 from cnoeabs.peaks (0.86, 3.18, 38.95 ppm; 5.14 A): 4 out of 9 assignments used, quality = 0.98: QD1 LEU 76 + HB2 PHE 80 OK 71 85 - 84 - 2.1/5769=19, 4.0/5883=17...(17) QB ALA 75 + HB2 PHE 80 OK 67 99 - 68 - 5.0/5883=14, ~4235=10...(15) HD2 LYS 26 + HB2 PHE 80 OK 61 96 - 64 - 3.0/5884=14, 3.0/5884=14...(13) QG2 VAL 47 + HB2 PHE 80 OK 46 81 - 57 - 3.2/3426=14, ~3432=10...(13) QD2 LEU 30 - HB2 PHE 80 OK 37 99 - 38 - 4594/4.4=20, 5888/1.8=4...(6) QD2 LEU 73 - HB2 PHE 80 poor 8 78 - 11 - 4.6/5726=3 QD2 LEU 87 - HB2 PHE 80 lone 6 87 - 7 - ~4707=1, ~5902=1 QD2 LEU 85 - HB2 PHE 80 lone 4 71 - 5 - QD1 LEU 85 - HB2 PHE 80 lone 3 63 - 5 - Peak 5886 from cnoeabs.peaks (0.71, 3.18, 38.95 ppm; 4.03 A): 3 out of 5 assignments used, quality = 0.95: QD2 LEU 76 + HB2 PHE 80 OK 80 100 - 80 - 5769=20, 5770/1.8=17...(19) QD1 LEU 79 + HB2 PHE 80 OK 63 81 - 78 - 5868/4.4=15, ~4710=14...(18) QG2 VAL 20 + HB2 PHE 80 OK 28 93 - 29 - 1502/4.8=7, 5887/1.8=4...(10) HG3 LYS 64 - HB2 PHE 80 OK 23 97 - 24 - 4709/2.5=6, 5443/4.4=6...(6) QG1 VAL 50 - HB2 PHE 80 OK 21 85 - 24 - 5016=6, 4709/2.5=4...(7) Peak 5887 from cnoeabs.peaks (0.72, 2.91, 38.95 ppm; 4.06 A): 2 out of 8 assignments used, quality = 0.95: QD2 LEU 76 + HB3 PHE 80 OK 80 99 - 80 - 5770=21, 5786/2.5=16...(19) QD1 LEU 79 + HB3 PHE 80 OK 74 92 - 80 - 5868/4.4=17, 5866/2.5=16...(18) QG2 VAL 20 - HB3 PHE 80 OK 30 99 - 31 - 1502/4.8=7, 5886/1.8=5...(10) HG2 LYS 26 - HB3 PHE 80 OK 26 68 - 38 - 3.9/5889=8, 3.9/5889=8...(11) HG3 LYS 64 - HB3 PHE 80 OK 22 90 - 25 - 4709/2.5=6, 5443/4.4=6...(7) QG1 VAL 20 - HB3 PHE 80 OK 21 73 - 29 - 1497/4.8=5, 4415/4.0=5...(10) QG1 VAL 50 - HB3 PHE 80 OK 11 71 - 15 - 5016/1.8=4, 4709/2.5=4...(4) QD1 LEU 12 - HB3 PHE 80 OK 10 73 - 14 - 384/4.0=4, 4.6/3431=2...(5) Peak 5888 from cnoeabs.peaks (0.87, 2.91, 38.95 ppm; 5.63 A): 3 out of 9 assignments used, quality = 0.98: QD1 LEU 76 + HB3 PHE 80 OK 82 93 - 88 - 4.0/6111=26, 2.1/5770=21...(15) QB ALA 75 + HB3 PHE 80 OK 67 100 - 67 - 5.0/6111=22, ~4235=11...(11) HD2 LYS 26 + HB3 PHE 80 OK 64 89 - 72 - 3.0/5889=17, 3.0/5889=16...(13) QG2 VAL 47 - HB3 PHE 80 OK 43 68 - 63 - 3.2/3432=16, ~3426=12...(13) QD2 LEU 30 - HB3 PHE 80 OK 42 100 - 42 - 4594/4.4=24, 5885/1.8=6...(5) QD2 LEU 87 - HB3 PHE 80 lone 6 76 - 8 - ~4707=1, ~5902=1 QD2 LEU 73 - HB3 PHE 80 lone 5 65 - 8 - 5885/1.8=1 QD1 LEU 85 - HB3 PHE 80 lone 5 76 - 7 - 5902/2.5=1 QD1 LEU 87 - HB3 PHE 80 lone 5 68 - 7 - 5902/2.5=1 Peak 5889 from cnoeabs.peaks (2.52, 2.91, 38.95 ppm; 4.19 A): 4 out of 5 assignments used, quality = 0.88: HE3 LYS 26 + HB3 PHE 80 OK 58 99 - 59 - 4702/2.5=12, 5884/1.8=12...(16) HE2 LYS 26 + HB3 PHE 80 OK 57 97 - 59 - 4702/2.5=12, 5884/1.8=12...(16) HB3 PHE 46 + HB3 PHE 80 OK 22 71 - 31 - 2.4/3435=7, ~3447=5...(7) HG2 MET 48 + HB3 PHE 80 OK 17 100 - 17 - 4702/2.5=5, 4719/4.4=4...(4) HB2 TYR 32 - HB3 PHE 80 lone 7 96 - 8 - 4702/2.5=2, 4719/4.4=2 Peak 5890 from cnoeabs.peaks (3.35, 2.91, 38.95 ppm; 5.53 A): 3 out of 3 assignments used, quality = 0.78: HD2 PRO 81 + HB3 PHE 80 OK 63 63 - 100 - 4.8=100 HB2 HIS 15 + HB3 PHE 80 OK 26 60 - 44 - 5891/1.8=42 HA VAL 20 + HB3 PHE 80 OK 21 57 - 36 - 5880/3.0=6, 5879/4.0=6...(11) Peak 5891 from cnoeabs.peaks (3.35, 3.18, 38.95 ppm; 5.35 A): 0 out of 1 assignment used, low quality = 0.00: HB2 HIS 15 - HB2 PHE 80 poor 9 76 - 12 - 5890/1.8=9 Peak 5892 from cnoeabs.peaks (3.95, 2.91, 38.95 ppm; 4.16 A): 5 out of 6 assignments used, quality = 0.93: HA LEU 76 + HB3 PHE 80 OK 81 96 - 84 - 6111=30, 4701/2.5=21...(17) HA LEU 23 + HB3 PHE 80 OK 33 81 - 42 - 4701/2.5=11, 5883/1.8=7...(9) HA ALA 72 + HB3 PHE 80 OK 25 98 - 25 - 4701/2.5=5, 5883/1.8=5...(6) HA ALA 71 + HB3 PHE 80 OK 15 93 - 16 - 5655/1.8=4, 4701/2.5=3...(6) HA GLU 25 + HB3 PHE 80 OK 12 83 - 14 - 4505=4, 3.0/86=4...(5) HA3 GLY 16 - HB3 PHE 80 lone 4 83 - 5 - 5882/4.0=1 Peak 5893 from cnoeabs.peaks (3.94, 7.03, 130.60 ppm; 5.13 A): 2 out of 4 assignments used, quality = 0.93: HA LEU 76 + QE PHE 80 OK 81 88 - 92 - 5774=33, 4701/2.2=24...(27) HA LEU 23 + QE PHE 80 OK 65 88 - 74 - 3.9/5874=37, 6050/2.2=13...(14) HA ALA 72 - QE PHE 80 OK 19 57 - 34 - 4701/2.2=6, 5883/4.4=4...(9) HA LEU 73 - QE PHE 80 OK 14 59 - 23 - 1614/5874=5, 6050/2.2=3...(6) Peak 5894 from cnoeabs.peaks (1.51, 7.03, 130.60 ppm; 5.12 A): 4 out of 14 assignments used, quality = 0.94: HB3 LYS 26 + QE PHE 80 OK 65 83 - 78 - 1.8/4514=23, ~4515=21...(17) HG3 ARG 27 + QE PHE 80 OK 61 83 - 74 - 1.8/4541=30, ~4542=17...(18) HD3 LYS 64 + QE PHE 80 OK 45 74 - 62 - 2.9/4727=14, 2.9/5441=10...(17) QB ALA 72 + QE PHE 80 OK 25 79 - 32 - 2.1/4711=6, ~4701=5...(10) QB ALA 71 - QE PHE 80 OK 22 80 - 27 - 2.1/4711=3, 5654/4.4=3...(8) HB2 LYS 56 - QE PHE 80 OK 21 87 - 24 - 1.8/4722=3, 3.4/4722=3...(6) HG LEU 34 - QE PHE 80 OK 21 86 - 24 - 2.1/4690=7, 2.1/4686=5...(4) HD2 LYS 17 - QE PHE 80 OK 12 89 - 14 - 3.0/4724=3, 3.0/5895=2...(4) HD3 LYS 17 - QE PHE 80 OK 12 89 - 14 - 3.0/4724=3, 3.0/5895=2...(4) HG2 GLU 37 - QE PHE 80 OK 12 88 - 13 - 3.0/5474=2, 3.0/5474=1...(4) HD2 LYS 56 - QE PHE 80 OK 12 57 - 21 - 1.8/4722=4, 3.4/4722=3...(5) HB2 ARG 45 - QE PHE 80 poor 9 89 - 10 - 2.9/4723=2 HB2 LEU 85 - QE PHE 80 lone 7 87 - 7 - HB3 LEU 87 - QE PHE 80 lone 4 57 - 8 - Peak 5895 from cnoeabs.peaks (1.25, 7.03, 130.60 ppm; 4.83 A): 2 out of 9 assignments used, quality = 0.96: HB2 LEU 79 + QE PHE 80 OK 88 89 - 99 - 1.8/4728=41, 5857=38...(33) HB3 LEU 23 + QE PHE 80 OK 69 84 - 82 - 3.1/5874=39, 4706/2.2=13...(19) HG3 LYS 65 - QE PHE 80 OK 31 79 - 40 - 4706/2.2=6, ~5189=3...(18) HG2 LYS 17 - QE PHE 80 OK 17 83 - 20 - ~4706=2, 4706/2.2=2...(9) HD3 LYS 68 - QE PHE 80 OK 14 61 - 22 - 3.5/4723=4, ~4708=2...(7) HD2 LYS 68 - QE PHE 80 OK 13 59 - 22 - 3.5/4723=4, ~4708=2...(7) HG3 LYS 17 - QE PHE 80 OK 12 66 - 18 - 4706/2.2=2, 1.8/4690=2...(8) HG3 LYS 56 - QE PHE 80 poor 9 45 - 20 - 3.0/4722=3, 2.9/4722=3...(6) HG13 ILE 35 - QE PHE 80 lone 5 68 - 7 - Peak 5896 from cnoeabs.peaks (0.93, 7.03, 130.60 ppm; 4.23 A): 5 out of 5 assignments used, quality = 0.94: QD2 LEU 23 + QE PHE 80 OK 57 80 - 72 - 2.1/5874=40, ~4483=13...(14) QG2 VAL 52 + QE PHE 80 OK 54 80 - 68 - 2.1/5105=20, 5105=20...(20) QG1 VAL 52 + QE PHE 80 OK 48 72 - 67 - 5105=20, 2.1/5105=19...(18) HD3 LYS 26 + QE PHE 80 OK 30 50 - 59 - 3.6/4514=12, 3.0/4719=10...(14) HB3 LEU 30 + QE PHE 80 OK 20 50 - 40 - 3.1/4594=16, 3.1/5897=4...(13) Peak 5897 from cnoeabs.peaks (0.78, 7.03, 130.60 ppm; 3.83 A): 3 out of 6 assignments used, quality = 0.94: QD2 LEU 79 + QE PHE 80 OK 79 85 - 93 - 2.1/5868=28, 3.1/4728=23...(29) QD1 LEU 23 + QE PHE 80 OK 61 81 - 75 - 5874=43, 4483/2.2=18...(16) QD1 LEU 30 + QE PHE 80 OK 29 87 - 33 - 2.1/4594=14, 3.1/4725=3...(7) HG2 LYS 26 - QE PHE 80 OK 26 50 - 52 - 2.9/4514=11, ~4515=9...(13) QD1 LEU 73 - QE PHE 80 OK 11 89 - 13 - 3.9/5893=1 HG3 LYS 68 - QE PHE 80 poor 10 52 - 19 - 2.9/4723=3, 3.0/4724=2...(8) Peak 5898 from cnoeabs.peaks (0.70, 7.03, 130.60 ppm; 4.56 A): 4 out of 4 assignments used, quality = 0.92: QD2 LEU 76 + QE PHE 80 OK 73 84 - 87 - 5787=30, 5786/2.2=19...(28) HG3 LYS 64 + QE PHE 80 OK 52 89 - 59 - 5443=15, 1.8/5441=9...(19) QG1 VAL 50 + QE PHE 80 OK 23 85 - 27 - 4709/2.2=4, 2.1/4723=4...(7) QG2 VAL 20 + QE PHE 80 OK 16 59 - 27 - 4709/2.2=4, 5886/4.4=3...(11) Peak 5899 from cnoeabs.peaks (0.38, 7.03, 130.60 ppm; 5.27 A): 1 out of 1 assignment used, quality = 0.86: HB3 LEU 79 + QE PHE 80 OK 86 87 - 99 - 5862=38, 3.1/5868=36...(35) Peak 5901 from cnoeabs.peaks (1.78, 7.20, 132.93 ppm; 5.02 A): 4 out of 14 assignments used, quality = 0.98: HD3 LYS 78 + QD PHE 80 OK 74 99 - 75 - 5829/3.8=15, 3347=13...(16) HB2 ARG 27 + QD PHE 80 OK 65 100 - 65 - ~4541=17, ~4722=9...(17) QB ALA 74 + QD PHE 80 OK 56 100 - 56 - 2.1/4233=10, 4.4/4235=10...(17) HB2 LYS 65 + QD PHE 80 OK 47 96 - 49 - 3.8/4713=7, 1.8/5189=6...(17) HB3 GLN 55 - QD PHE 80 OK 32 65 - 50 - 2.9/5193=9, 1.8/5186=9...(9) HB2 MET 48 - QD PHE 80 OK 24 88 - 27 - 3.0/4702=6, ~4719=5...(6) HB3 MET 48 - QD PHE 80 OK 17 70 - 24 - 3.0/4702=6, ~4719=5...(6) HB2 LYS 31 - QD PHE 80 OK 15 97 - 16 - ~4723=2, ~4722=2, 4720/2.2=2 HB2 ARG 28 - QD PHE 80 OK 14 97 - 15 - ~1820=2, 1828/2.5=1...(4) HB3 ARG 28 - QD PHE 80 OK 14 97 - 15 - ~1820=2, 4.0/3445=1, 1836/2.5=1 HB2 LEU 73 - QD PHE 80 OK 14 75 - 19 - 3.0/6050=3, ~5893=2...(6) QE MET 11 - QD PHE 80 OK 11 98 - 11 - 4243/5870=1, 4245/4706=1 HG3 GLU 37 - QD PHE 80 OK 11 96 - 11 - 4720/2.2=1, ~4721=1...(4) HB2 LYS 91 - QD PHE 80 lone 5 89 - 5 - Peak 5902 from cnoeabs.peaks (0.88, 7.20, 132.93 ppm; 5.04 A): 3 out of 7 assignments used, quality = 0.99: QD1 LEU 76 + QD PHE 80 OK 92 100 - 92 - ~5787=20, 4.0/4701=20...(23) QB ALA 75 + QD PHE 80 OK 67 92 - 73 - 3.6/4714=18, 5.0/4701=16...(19) HD3 LYS 26 + QD PHE 80 OK 65 91 - 71 - 3.0/4702=15, 3.0/4702=15...(19) QD2 LEU 30 - QD PHE 80 OK 45 92 - 48 - 4594/2.2=26, ~5897=5...(8) HB3 LEU 30 - QD PHE 80 OK 34 91 - 37 - ~4594=17, ~5897=4...(7) QD1 LEU 87 - QD PHE 80 OK 12 97 - 13 - 4.7/4715=3 QD1 LEU 85 - QD PHE 80 lone 10 99 - 10 - Peak 5903 from cnoeabs.peaks (0.73, 7.20, 132.93 ppm; 4.58 A): 3 out of 7 assignments used, quality = 1.00: QD1 LEU 79 + QD PHE 80 OK 95 97 - 98 - 5868/2.2=36, 3.1/4710=32...(27) QD2 LEU 76 + QD PHE 80 OK 85 96 - 88 - 5787/2.2=25, 5786=19...(26) HG2 LYS 26 + QD PHE 80 OK 54 80 - 68 - 3.9/4702=11, 3.9/4702=11...(18) HG3 LYS 64 - QD PHE 80 OK 39 80 - 49 - 5443/2.2=10, ~5441=7...(14) QG2 VAL 20 - QD PHE 80 OK 38 100 - 38 - 5886/2.5=5, 384/4.4=4...(13) QG1 VAL 20 - QD PHE 80 OK 28 84 - 33 - 4415/4.4=6, ~5886=3...(10) QD1 LEU 12 - QD PHE 80 OK 27 84 - 32 - ~4256=7, 384/4.4=4...(12) Peak 5905 from cnoeabs.peaks (8.19, 3.16, 50.06 ppm; 5.55 A): 2 out of 4 assignments used, quality = 0.95: H LEU 79 + HD3 PRO 81 OK 86 100 - 87 - 379/4.8=26, 5837/3.8=24...(22) HE21 GLN 58 + HD3 PRO 81 OK 61 73 - 83 - 3.5/3457=14, 5912/1.8=12...(25) H LYS 56 - HD3 PRO 81 OK 32 95 - 34 - 379/4.8=6, 3.6/3456=5...(9) H LEU 87 - HD3 PRO 81 OK 15 100 - 15 - 379/4.8=4, 5912/1.8=3...(4) Peak 5906 from cnoeabs.peaks (7.86, 3.16, 50.06 ppm; 3.88 A): 1 out of 4 assignments used, quality = 0.92: H PHE 80 + HD3 PRO 81 OK 92 100 - 92 - 4.8=53, 5879/1.8=28...(20) H LEU 12 - HD3 PRO 81 OK 20 100 - 20 - 5911/1.8=5, 3419/3.8=3...(8) HD21 ASN 24 - HD3 PRO 81 OK 19 98 - 20 - 5911/1.8=5, 3419/3.8=5...(4) H LYS 65 - HD3 PRO 81 OK 13 90 - 14 - 5911/1.8=3, 3419/3.8=3...(4) Peak 5907 from cnoeabs.peaks (7.19, 3.16, 50.06 ppm; 5.09 A): 3 out of 3 assignments used, quality = 0.98: QD PHE 80 + HD3 PRO 81 OK 83 99 - 84 - 4584/3.8=29, 4.4/5906=21...(21) H LYS 78 + HD3 PRO 81 OK 73 100 - 73 - 5910/1.8=15, 5823/4.8=13...(20) QE PHE 57 + HD3 PRO 81 OK 58 90 - 65 - 5910/1.8=11, 3430/4.8=9...(18) Peak 5908 from cnoeabs.peaks (5.04, 3.16, 50.06 ppm; 3.54 A): 2 out of 2 assignments used, quality = 0.96: HA PHE 80 + HD3 PRO 81 OK 93 97 - 95 - 3.8=82, 5880/1.8=31...(22) HA VAL 47 + HD3 PRO 81 OK 42 99 - 42 - 5909/1.8=11, 5914/2.3=5...(13) Peak 5909 from cnoeabs.peaks (5.04, 3.38, 50.06 ppm; 3.29 A): 2 out of 2 assignments used, quality = 0.93: HA PHE 80 + HD2 PRO 81 OK 88 100 - 89 - 3.8=67, 5908/1.8=21...(18) HA VAL 47 + HD2 PRO 81 OK 37 100 - 37 - 5908/1.8=10, 5914/2.3=5...(9) Peak 5910 from cnoeabs.peaks (7.19, 3.38, 50.06 ppm; 4.77 A): 3 out of 3 assignments used, quality = 0.96: QD PHE 80 + HD2 PRO 81 OK 79 99 - 80 - 3.7/5880=31, 4.4/5879=22...(19) H LYS 78 + HD2 PRO 81 OK 66 100 - 66 - 5907/1.8=12, 5823/4.8=12...(18) QE PHE 57 + HD2 PRO 81 OK 50 90 - 55 - 5907/1.8=10, 3424/3.8=8...(14) Peak 5911 from cnoeabs.peaks (7.86, 3.38, 50.06 ppm; 3.98 A): 2 out of 4 assignments used, quality = 0.93: H PHE 80 + HD2 PRO 81 OK 91 99 - 92 - 4.8=57, 3.0/5880=29...(17) HD21 ASN 24 + HD2 PRO 81 OK 22 92 - 24 - 5906/1.8=5, 3419/3.8=5...(6) H LEU 12 - HD2 PRO 81 OK 21 100 - 21 - 5906/1.8=5, 3419/3.8=3...(8) H LYS 65 - HD2 PRO 81 OK 14 97 - 14 - 5906/1.8=3, 3419/3.8=3...(4) Peak 5912 from cnoeabs.peaks (8.20, 3.38, 50.06 ppm; 6.07 A): 2 out of 4 assignments used, quality = 0.98: H LEU 79 + HD2 PRO 81 OK 89 99 - 90 - 4.6/5879=31, 5837/3.8=27...(21) HE21 GLN 58 + HD2 PRO 81 OK 83 95 - 88 - 3.5/3450=15, 5905/1.8=13...(24) H LYS 56 - HD2 PRO 81 OK 36 100 - 36 - 5905/1.8=7, 379/4.8=7...(11) H LEU 87 - HD2 PRO 81 OK 18 98 - 18 - 379/4.8=5, 5905/1.8=3...(4) Peak 5913 from cnoeabs.peaks (5.06, 1.92, 27.14 ppm; 5.26 A): 2 out of 4 assignments used, quality = 0.97: HA PHE 80 + HG3 PRO 81 OK 93 99 - 94 - 5880/2.3=39, 5908/2.3=26...(21) HA VAL 47 + HG3 PRO 81 OK 61 97 - 63 - 5914/1.8=16, 5909/2.3=14...(23) HA PHE 80 - HG3 PRO 84 OK 15 58 - 26 - 3.8/3496=8, 3.8/3497=7...(5) HA VAL 47 - HG3 PRO 84 OK 13 54 - 24 - ~6192=4, 2391=2, ~6169=2...(9) Peak 5914 from cnoeabs.peaks (5.05, 1.86, 27.14 ppm; 5.24 A): 2 out of 2 assignments used, quality = 0.98: HA PHE 80 + HG2 PRO 81 OK 94 100 - 94 - 5880/2.3=40, 5908/2.3=31...(21) HA VAL 47 + HG2 PRO 81 OK 60 100 - 60 - 5909/2.3=15, 5908/2.3=14...(21) Peak 5915 from cnoeabs.peaks (8.11, 4.41, 63.40 ppm; 4.57 A): 3 out of 4 assignments used, quality = 0.65: H LEU 30 + HA PRO 81 OK 32 100 - 32 - 3.6/5918=11, 4588=9...(5) H MET 11 + HA PRO 81 OK 32 99 - 32 - 518/2.3=7, 4588=5...(8) H ALA 71 + HA PRO 81 OK 24 87 - 27 - 332=4, 2.9/5651=3...(13) H ALA 89 - HA PRO 81 lone 8 100 - 8 - 4.4/5920=3, 4.6/4446=1 Peak 5916 from cnoeabs.peaks (4.01, 3.16, 50.06 ppm; 4.77 A): 3 out of 4 assignments used, quality = 0.94: HA LEU 79 + HD3 PRO 81 OK 74 100 - 74 - 3.6/5906=23, 5841=17...(15) HD2 PRO 19 + HD3 PRO 81 OK 60 89 - 68 - 2.3/3459=7, 5917/1.8=6...(32) HA PRO 19 + HD3 PRO 81 OK 45 85 - 53 - 5917/1.8=8, 3.8/3459=6...(19) HB3 SER 62 - HD3 PRO 81 lone 3 89 - 3 - Peak 5917 from cnoeabs.peaks (4.00, 3.38, 50.06 ppm; 5.51 A): 3 out of 7 assignments used, quality = 0.97: HA LEU 79 + HD2 PRO 81 OK 81 97 - 83 - 3.6/5879=32, 5875/3.8=21...(23) HA PRO 19 + HD2 PRO 81 OK 69 98 - 70 - 3.5/567=16, 5916/1.8=11...(24) HD2 PRO 19 + HD2 PRO 81 OK 50 65 - 76 - 5916/1.8=15, 3.0/4381=8...(35) HA ALA 71 - HD2 PRO 81 OK 12 57 - 22 - ~5654=4, 5655/1.8=3...(8) HA GLU 25 - HD2 PRO 81 OK 10 73 - 14 - 4505/4.8=4, 1029/1028=2 HA3 GLY 16 - HD2 PRO 81 lone 6 73 - 8 - 3820/567=1 HB3 SER 62 - HD2 PRO 81 lone 5 99 - 5 - Peak 5918 from cnoeabs.peaks (3.86, 4.41, 63.40 ppm; 4.25 A): 4 out of 4 assignments used, quality = 0.65: HA3 GLY 29 + HA PRO 81 OK 33 98 - 33 - 4577=9, 3.6/5915=8...(5) HA GLU 77 + HA PRO 81 OK 30 98 - 31 - 6049=22, 3259/2.3=2...(5) HA ALA 69 + HA PRO 81 OK 16 99 - 16 - 3.6/843=2, 5577/2.3=2 HA GLU 22 + HA PRO 81 OK 12 63 - 20 - 3.0/4446=5, 3.0/3466=2...(5) Peak 5919 from cnoeabs.peaks (3.84, 2.29, 31.47 ppm; 5.11 A): 3 out of 6 assignments used, quality = 0.83: HD2 PRO 84 + HB2 PRO 81 OK 63 73 - 86 - 4.8/5927=11, ~3570=8...(43) HA2 GLY 29 + HB2 PRO 81 OK 35 98 - 36 - ~5918=12, 4578/2.3=9...(7) HD2 PRO 84 + HG2 MET 11 OK 28 45 - 62 - ~3530=10, ~3558=9...(21) HA ALA 69 - HB2 PRO 81 poor 9 60 - 15 - 5918/2.3=5, 5576/2.3=2...(5) HA2 GLY 29 - HG2 MET 11 lone 7 67 - 10 - 3889/5.0=2, 3.6/518=2 HA ALA 69 - HG2 MET 11 lone 1 36 - 4 - Peak 5920 from cnoeabs.peaks (4.39, 2.58, 40.95 ppm; 5.11 A): 0 out of 10 assignments used, low quality = 0.43: HA PRO 81 - HB3 ASP 82 OK 33 72 - 46 - 386/4.0=29, 5930/4.6=19, ~2040=3 HA PRO 81 - HB3 ASP 88 OK 16 81 - 19 - 3.6/906=12, 5930/396=2...(4) HA ARG 28 - HB3 ASP 82 lone 8 85 - 10 - 5930/4.6=4, 386/4.0=3 HA TYR 70 - HB3 ASP 88 lone 8 100 - 8 - 4057/4.4=2, 4446/3.6=2 HA TYR 70 - HB3 ASP 82 lone 6 93 - 6 - 386/4.0=2, 5930/4.6=2 HA ARG 28 - HB3 ASP 88 lone 6 93 - 6 - 4568/4.4=2, 4446/3.6=1 HA GLN 55 - HB3 ASP 82 lone 3 62 - 5 - 386/4.0=2, 5930/4.6=2 HA GLN 55 - HB3 ASP 88 lone 3 71 - 4 - 4446/3.6=2 HA PRO 84 - HB3 ASP 88 lone 1 68 - 2 - HA PRO 84 - HB3 ASP 82 lone 1 60 - 2 - Peak 5931 from cnoeabs.peaks (3.81, 4.57, 59.45 ppm; 2.88 A): 2 out of 4 assignments used, quality = 0.86: HD2 PRO 84 + HA THR 83 OK 82 100 - 82 - 3.8=44, 1.8/5932=27...(15) HD3 PRO 19 + HA THR 83 OK 22 81 - 28 - 5946=8, 3534/3.8=5...(9) HA ALA 67 - HA THR 83 lone 5 96 - 5 - 3534/3.8=1 HA2 GLY 29 - HA THR 83 lone 3 87 - 3 - Peak 5932 from cnoeabs.peaks (3.68, 4.57, 59.45 ppm; 2.90 A): 2 out of 2 assignments used, quality = 0.84: HD3 PRO 84 + HA THR 83 OK 81 100 - 81 - 3.8=46, 1.8/5931=24...(15) HA2 GLY 16 + HA THR 83 OK 16 99 - 16 - 3542/4.8=3, 5934/3.0=3...(6) Peak 5933 from cnoeabs.peaks (3.80, 4.12, 69.71 ppm; 3.93 A): 2 out of 4 assignments used, quality = 0.94: HD2 PRO 84 + HB THR 83 OK 91 95 - 96 - 4.5=67, 1.8/5934=34...(13) HD3 PRO 19 + HB THR 83 OK 30 97 - 31 - 5931/3.0=7, 5953=7...(7) HA ALA 67 - HB THR 83 lone 8 100 - 8 - 5938/2.1=2, 5931/3.0=2...(4) HA2 GLY 29 - HB THR 83 lone 3 63 - 5 - 5929/3.8=1, 5938/2.1=1 Peak 5934 from cnoeabs.peaks (3.66, 4.12, 69.71 ppm; 3.55 A): 2 out of 3 assignments used, quality = 0.90: HD3 PRO 84 + HB THR 83 OK 87 97 - 90 - 4.5=49, 5939/2.1=26...(13) HA2 GLY 16 + HB THR 83 OK 21 99 - 21 - 5939/2.1=6, 3.0/5942=5...(5) HA2 GLY 54 - HB THR 83 lone 1 73 - 1 - Peak 5935 from cnoeabs.peaks (1.95, 4.12, 69.71 ppm; 6.13 A): 2 out of 15 assignments used, quality = 0.99: HG3 PRO 84 + HB THR 83 OK 99 100 - 99 - 2.3/5934=40, ~5939=36...(16) HG2 PRO 19 + HB THR 83 OK 52 97 - 54 - 1478/4.5=12, 2.3/5933=11...(10) HB3 GLU 22 - HB THR 83 OK 23 99 - 23 - 3.0/4448=6, ~4459=3...(8) HB3 PRO 81 - HB THR 83 OK 22 81 - 27 - 5926/3.8=7, 5937/3.0=6...(5) HB2 LEU 76 - HB THR 83 OK 21 100 - 21 - 3.1/5936=5, 4.0/1088=2...(6) HB2 GLU 77 - HB THR 83 OK 18 97 - 18 - 3.0/5798=2, 3.0/5799=2...(6) HG3 PRO 81 - HB THR 83 OK 17 60 - 29 - 3570/4.5=10, 3569/4.5=7...(4) HB2 GLU 51 - HB THR 83 OK 15 85 - 17 - 2507/3.8=8, 5937/3.0=3 HB2 GLN 58 - HB THR 83 OK 11 96 - 11 - 3533/4.5=3, 3526/4.5=2...(4) HB VAL 20 - HB THR 83 poor 10 97 - 10 - 4.4/572=2 HB VAL 47 - HB THR 83 poor 10 87 - 11 - 2.1/5936=3, 4839/2.1=1 HG3 GLU 49 - HB THR 83 poor 8 78 - 10 - 3533/4.5=4, 3526/4.5=2 HB2 GLU 33 - HB THR 83 lone 8 99 - 8 - QE MET 48 - HB THR 83 lone 7 87 - 8 - HD2 LYS 78 - HB THR 83 lone 4 63 - 7 - 3533/4.5=1, 6.2/1100=1 Peak 5936 from cnoeabs.peaks (0.87, 4.12, 69.71 ppm; 6.20 A): 4 out of 9 assignments used, quality = 0.61: HD2 LYS 26 + HB THR 83 OK 41 89 - 46 - 3.0/3517=6, 1.8/1729=5...(16) QD1 LEU 76 + HB THR 83 OK 15 93 - 16 - 3.1/5935=2, ~6114=2...(5) QB ALA 75 + HB THR 83 OK 13 100 - 13 - 3.6/1088=2, 2.1/5756=1...(4) QD1 LEU 85 + HB THR 83 OK 10 76 - 14 - 4.7/5942=9 QG2 VAL 47 - HB THR 83 poor 7 68 - 10 - 4360/4.5=2, ~4839=1, 2.1/5935=1 QD2 LEU 30 - HB THR 83 lone 7 100 - 7 - QD2 LEU 73 - HB THR 83 lone 6 65 - 9 - 4360/4.5=2 QD2 LEU 87 - HB THR 83 lone 5 76 - 7 - QD1 LEU 87 - HB THR 83 lone 4 68 - 6 - Peak 5937 from cnoeabs.peaks (1.96, 4.57, 59.45 ppm; 4.09 A): 3 out of 15 assignments used, quality = 0.96: HG3 PRO 84 + HA THR 83 OK 89 97 - 92 - 2.3/5932=38, 2.3/5931=34...(19) HG2 PRO 19 + HA THR 83 OK 41 100 - 41 - 2.3/5931=9, 1478/3.8=8...(14) HB3 PRO 81 + HA THR 83 OK 38 97 - 39 - ~5930=12, ~5927=10...(10) HB2 PRO 19 - HA THR 83 OK 24 83 - 29 - 3.0/5931=8, ~5933=3...(11) HB3 PRO 19 - HA THR 83 OK 21 73 - 29 - 3.0/5931=8, ~5933=3...(11) HB2 GLU 51 - HA THR 83 OK 19 99 - 19 - 2507/3.0=7, ~2513=4...(6) HB2 GLN 58 - HA THR 83 lone 8 100 - 8 - 3533/3.8=2, 3540/4.8=1 HB3 GLU 22 - HA THR 83 lone 7 89 - 8 - ~4448=2, 3533/3.8=1, ~4459=1 HB2 LEU 76 - HA THR 83 lone 6 93 - 7 - ~5936=1 HE3 LYS 68 - HA THR 83 lone 6 65 - 10 - 3.0/3513=2, 3.0/3513=2, ~910=1 HB2 GLU 33 - HA THR 83 lone 6 89 - 7 - 2045/4.9=1, ~4109=1, ~394=1 HB2 GLU 77 - HA THR 83 lone 6 100 - 6 - 4230/3.0=1 HB VAL 47 - HA THR 83 lone 4 60 - 7 - QE MET 48 - HA THR 83 lone 3 60 - 5 - HB VAL 20 - HA THR 83 lone 3 78 - 3 - Peak 5938 from cnoeabs.peaks (3.81, 1.21, 21.06 ppm; 4.06 A): 1 out of 4 assignments used, quality = 0.99: HD2 PRO 84 + QG2 THR 83 OK 99 100 - 99 - 4.2=88, 1.8/5939=35...(13) HD3 PRO 19 - QG2 THR 83 OK 25 81 - 31 - 3534/4.2=8, 5933/2.1=8...(7) HA ALA 67 - QG2 THR 83 lone 9 96 - 10 - 5933/2.1=2, 5931/3.2=2...(4) HA2 GLY 29 - QG2 THR 83 lone 5 87 - 5 - 5929/3.9=1, 5931/3.2=1 Peak 5939 from cnoeabs.peaks (3.66, 1.21, 21.06 ppm; 3.60 A): 2 out of 3 assignments used, quality = 0.92: HD3 PRO 84 + QG2 THR 83 OK 90 97 - 93 - 4.2=62, 5934/2.1=27...(13) HA2 GLY 16 + QG2 THR 83 OK 21 99 - 21 - 5934/2.1=7, 5932/3.2=4...(5) HA2 GLY 54 - QG2 THR 83 lone 1 73 - 1 - Peak 5941 from cnoeabs.peaks (8.24, 1.21, 21.06 ppm; 4.58 A): 0 out of 6 assignments used, low quality = 0.11: H GLU 22 - QG2 THR 83 OK 11 98 - 12 - 65/2.1=4, ~4448=3...(4) H GLU 77 - QG2 THR 83 lone 4 81 - 5 - 1095/2.1=2 H ASP 88 - QG2 THR 83 lone 3 99 - 3 - H VAL 66 - QG2 THR 83 lone 2 83 - 2 - H ALA 86 - QG2 THR 83 lone 2 99 - 2 - HE21 GLN 58 - QG2 THR 83 lone 2 65 - 3 - Peak 5942 from cnoeabs.peaks (8.29, 4.12, 69.71 ppm; 5.67 A): 3 out of 5 assignments used, quality = 0.54: H GLY 16 + HB THR 83 OK 32 100 - 32 - 548/4.5=11, 3.0/5934=9...(5) H LEU 85 + HB THR 83 OK 22 93 - 24 - 403/4.5=17, 4.7/5936=2 H ALA 60 + HB THR 83 OK 12 90 - 13 - 5353/4.5=9 H GLU 37 - HB THR 83 poor 9 73 - 12 - 3.6/3515=6, 169/3.0=3 H LYS 64 - HB THR 83 lone 5 100 - 5 - 4.6/282=1 Peak 5943 from cnoeabs.peaks (8.08, 3.81, 50.77 ppm; 5.47 A): 1 out of 6 assignments used, quality = 1.00: H THR 83 + HD2 PRO 84 OK 100 100 - 100 - 4.8=100 H THR 83 - HD3 PRO 19 OK 40 73 - 55 - 4.8/3534=11, 5929=10...(13) H MET 11 - HD2 PRO 84 OK 27 71 - 38 - 519/3.0=7, 5.0/3523=6...(11) H GLU 51 - HD2 PRO 84 OK 13 93 - 13 - 3510/3.8=4, 3518/4.2=3 H GLU 51 - HD3 PRO 19 poor 7 63 - 11 - 5246/4.8=3, ~2503=2...(5) H MET 11 - HD3 PRO 19 lone 3 44 - 6 - Peak 5944 from cnoeabs.peaks (8.10, 3.67, 50.77 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.82: H THR 83 + HD3 PRO 84 OK 71 71 - 100 - 4.8=100 H MET 11 + HD3 PRO 84 OK 39 100 - 39 - 519/3.0=11, 5.0/3530=10...(8) H ALA 71 - HD3 PRO 84 poor 9 60 - 15 - 1066/1.8=5, 5647/2.3=1...(5) H LEU 30 - HD3 PRO 84 lone 8 96 - 9 - 123/1.8=2, 3.6/3534=1 H ALA 89 - HD3 PRO 84 lone 5 98 - 5 - Peak 5946 from cnoeabs.peaks (4.56, 3.81, 50.77 ppm; 2.93 A): 3 out of 8 assignments used, quality = 0.88: HA THR 83 + HD2 PRO 84 OK 83 99 - 84 - 3.8=47, 5932/1.8=28...(15) HA THR 83 + HD3 PRO 19 OK 21 71 - 30 - 5931=10, 3.8/3534=5...(10) HA SER 36 + HD2 PRO 84 OK 14 100 - 14 - 5947/1.8=4, 5948/2.3=2...(5) HA HIS 10 - HD2 PRO 84 lone 3 73 - 4 - 5947/1.8=1, 3.6/5943=1 HA SER 36 - HD3 PRO 19 lone 2 73 - 2 - HA ASP 88 - HD2 PRO 84 lone 0 60 - 1 - HA HIS 10 - HD3 PRO 19 lone 0 46 - 1 - HA ASP 88 - HD3 PRO 19 lone 0 37 - 1 - Peak 5947 from cnoeabs.peaks (4.56, 3.67, 50.77 ppm; 3.03 A): 2 out of 4 assignments used, quality = 0.87: HA THR 83 + HD3 PRO 84 OK 85 99 - 86 - 3.8=52, 5931/1.8=26...(15) HA SER 36 + HD3 PRO 84 OK 14 100 - 14 - 5946/1.8=4, 5948/2.3=2...(5) HA HIS 10 - HD3 PRO 84 lone 3 73 - 5 - 3.6/5944=2 HA ASP 88 - HD3 PRO 84 lone 1 60 - 1 - Peak 5948 from cnoeabs.peaks (4.57, 2.00, 27.14 ppm; 5.06 A): 1 out of 3 assignments used, quality = 0.97: HA THR 83 + HG2 PRO 84 OK 97 100 - 97 - 5932/2.3=42, 5931/2.3=36...(20) HA SER 36 - HG2 PRO 84 OK 30 100 - 30 - 5947/2.3=7, 5949/1.8=6...(7) HA HIS 10 - HG2 PRO 84 lone 5 85 - 6 - 5947/2.3=2, 5949/1.8=1 Peak 5949 from cnoeabs.peaks (4.57, 1.95, 27.14 ppm; 5.64 A): 1 out of 8 assignments used, quality = 0.99: HA THR 83 + HG3 PRO 84 OK 99 100 - 99 - 5932/2.3=42, 5931/2.3=36...(21) HA SER 36 - HG3 PRO 84 OK 34 97 - 35 - 5948/1.8=10, 5947/2.3=6...(7) HA THR 83 - HG3 PRO 81 OK 31 59 - 53 - ~5927=18, 3.8/3570=10...(12) HA HIS 10 - HG3 PRO 84 lone 7 95 - 7 - 5948/1.8=2, 5947/2.3=2 HA SER 36 - HG3 PRO 81 poor 6 54 - 11 - ~4762=2, ~4756=1...(5) HA LYS 31 - HG3 PRO 84 lone 2 63 - 4 - HA HIS 10 - HG3 PRO 81 lone 1 52 - 3 - HA LYS 31 - HG3 PRO 81 lone 1 31 - 3 - Peak 5950 from cnoeabs.peaks (1.22, 3.81, 50.77 ppm; 4.19 A): 4 out of 16 assignments used, quality = 1.00: QG2 THR 83 + HD2 PRO 84 OK 100 100 - 100 - 4.2=97, 5939/1.8=36...(13) HG13 ILE 35 + HD2 PRO 84 OK 60 95 - 63 - ~4743=8, 2139/3.6=7...(26) HD2 LYS 68 + HD2 PRO 84 OK 47 98 - 48 - 5951/1.8=5, ~5951=4...(33) HD3 LYS 68 + HD2 PRO 84 OK 46 97 - 48 - 5951/1.8=5, ~5951=4...(33) QG2 THR 83 - HD3 PRO 19 OK 26 72 - 37 - 5938=9, 4.2/3534=9...(7) QD1 LEU 34 - HD3 PRO 19 OK 26 73 - 36 - ~4373=4, 4680/2.3=4...(14) QD1 LEU 34 - HD2 PRO 84 OK 26 100 - 25 - 5951/1.8=3, 4680/3.0=3...(12) HG13 ILE 35 - HD3 PRO 19 OK 21 65 - 33 - ~4353=5, ~4375=3...(15) HD2 LYS 68 - HD3 PRO 19 OK 19 69 - 27 - 5.8/316=3, ~4379=2...(10) HD3 LYS 68 - HD3 PRO 19 OK 18 68 - 27 - 5.8/316=3, ~4379=2...(10) HG3 LYS 26 - HD2 PRO 84 OK 13 97 - 14 - 3513/3.8=3, 3517/4.5=3...(5) HG3 LYS 26 - HD3 PRO 19 OK 12 67 - 18 - ~4376=2, ~4375=2...(6) HG2 LYS 14 - HD3 PRO 19 OK 10 62 - 16 - ~4350=4, ~4374=4...(6) HG2 LYS 17 - HD3 PRO 19 poor 9 50 - 17 - 46/4.8=5, 4.8/3831=2...(5) HG2 LYS 14 - HD2 PRO 84 lone 5 92 - 6 - HG2 LYS 17 - HD2 PRO 84 lone 5 78 - 6 - 4.9/4321=1 Peak 5951 from cnoeabs.peaks (1.21, 3.67, 50.77 ppm; 3.70 A): 2 out of 8 assignments used, quality = 0.96: QG2 THR 83 + HD3 PRO 84 OK 94 99 - 95 - 4.2=67, 3.2/5932=28...(13) HG13 ILE 35 + HD3 PRO 84 OK 38 73 - 53 - ~4743=6, 4.2/3529=6...(24) HD2 LYS 68 - HD3 PRO 84 OK 31 83 - 37 - 5950/1.8=3, ~5950=2...(20) HD3 LYS 68 - HD3 PRO 84 OK 30 81 - 37 - 5950/1.8=3, ~5950=2...(20) QD1 LEU 34 - HD3 PRO 84 OK 19 97 - 20 - 4680/3.0=2, 2105/2.3=2...(10) HG3 LYS 26 - HD3 PRO 84 OK 10 100 - 10 - 3513/3.8=3, 3517/4.5=2...(4) HG2 LYS 14 - HD3 PRO 84 lone 4 100 - 4 - HG3 LYS 44 - HD3 PRO 84 lone 1 63 - 1 - Peak 5952 from cnoeabs.peaks (4.13, 3.67, 50.77 ppm; 3.77 A): 1 out of 7 assignments used, quality = 0.94: HB THR 83 + HD3 PRO 84 OK 94 100 - 94 - 4.5=59, 3.0/5932=30...(13) HA LYS 26 - HD3 PRO 84 poor 8 78 - 11 - 3520/4.2=2, 5953/1.8=2...(4) HA MET 21 - HD3 PRO 84 lone 7 85 - 8 - 3520/4.2=1, 5953/1.8=1...(4) HB2 SER 62 - HD3 PRO 84 lone 4 99 - 4 - 5953/1.8=1 HA LYS 14 - HD3 PRO 84 lone 3 71 - 4 - HA ALA 74 - HD3 PRO 84 lone 2 73 - 3 - HA LYS 91 - HD3 PRO 84 lone 2 76 - 2 - Peak 5953 from cnoeabs.peaks (4.12, 3.81, 50.77 ppm; 3.91 A): 1 out of 12 assignments used, quality = 0.96: HB THR 83 + HD2 PRO 84 OK 96 100 - 96 - 4.5=66, 5934/1.8=33...(13) HB THR 83 - HD3 PRO 19 OK 25 72 - 35 - 5933=10, 3.0/5931=7...(7) HA LYS 26 - HD2 PRO 84 OK 11 90 - 12 - 5952/1.8=3, 3520/4.2=3...(4) HA MET 21 - HD3 PRO 19 poor 6 44 - 15 - 4159/4.8=3, 4159/4.8=3...(5) HA MET 21 - HD2 PRO 84 lone 6 71 - 9 - 5952/1.8=2, 3520/4.2=2 HA LYS 26 - HD3 PRO 19 lone 5 60 - 9 - ~92=1 HB2 SER 62 - HD3 PRO 19 lone 5 73 - 7 - HB2 SER 62 - HD2 PRO 84 lone 5 100 - 5 - 5952/1.8=1 HA LYS 14 - HD2 PRO 84 lone 4 85 - 4 - HA LYS 91 - HD2 PRO 84 lone 2 89 - 3 - HA LYS 14 - HD3 PRO 19 lone 2 55 - 4 - 4.0/4359=1 HA LYS 91 - HD3 PRO 19 lone 1 59 - 1 - Peak 5954 from cnoeabs.peaks (1.59, 4.37, 62.94 ppm; 4.65 A): 7 out of 12 assignments used, quality = 0.87: HB3 LEU 85 + HA PRO 84 OK 45 100 - 45 - 4.0/397=32, 3.1/5955=13...(4) HG LEU 85 + HA PRO 84 OK 38 93 - 41 - 5.1/397=24, 2.1/5955=15...(4) HB2 LYS 68 + HA PRO 84 OK 22 96 - 23 - 3041/2.3=3, 3042/3.8=3...(10) HG LEU 73 + HA PRO 84 OK 20 63 - 31 - 2.1/5713=9, 2.1/5714=7...(9) HB2 LEU 87 + HA PRO 84 OK 19 99 - 20 - 3585/3.6=10, 3.1/5955=5...(4) HG LEU 87 + HA PRO 84 OK 15 85 - 18 - 3592/3.6=7, 2.1/5955=6...(4) HB2 LEU 12 + HA PRO 84 OK 14 99 - 14 - 4260/3.6=8, 4260/3542=3 HG LEU 23 - HA PRO 84 lone 4 83 - 5 - 3592/3.6=1 HD3 LYS 65 - HA PRO 84 lone 2 97 - 2 - HD2 LYS 65 - HA PRO 84 lone 2 95 - 2 - HD2 LYS 14 - HA PRO 84 lone 2 99 - 2 - HD3 LYS 14 - HA PRO 84 lone 2 99 - 2 - Peak 5955 from cnoeabs.peaks (0.88, 4.37, 62.94 ppm; 5.09 A): 2 out of 8 assignments used, quality = 0.57: QD1 LEU 85 + HA PRO 84 OK 46 96 - 48 - 4.7/397=31, 3.1/5954=9...(4) QD1 LEU 87 + HA PRO 84 OK 20 92 - 21 - 916/3.6=10, 3.1/5954=4...(4) QD1 LEU 76 - HA PRO 84 lone 8 100 - 8 - 916/3.6=2 QB ALA 75 - HA PRO 84 lone 7 98 - 7 - ~4238=1 HD3 LYS 26 - HA PRO 84 lone 5 83 - 6 - 916/3.6=3 QD2 LEU 30 - HA PRO 84 lone 5 98 - 5 - 916/3.6=2 HB3 LEU 30 - HA PRO 84 lone 4 83 - 5 - 916/3.6=2 HD2 LYS 26 - HA PRO 84 lone 3 63 - 5 - 4360/3.6=1 Peak 5958 from cnoeabs.peaks (1.85, 0.89, 24.73 ppm; 4.27 A): 8 out of 18 assignments used, quality = 0.80: HB3 PRO 84 + QD1 LEU 85 OK 28 99 - 28 - 2.3/5955=12, 4116/4.7=10...(4) HB2 GLU 22 + QD1 LEU 85 OK 23 100 - 23 - 4451=5, 1.8/4454=2...(8) HB2 GLU 22 + QD1 LEU 87 OK 19 100 - 19 - 4451=4, 1554/4.8=3...(6) HB3 LYS 78 + QD1 LEU 87 OK 16 73 - 22 - 4089/4.7=4, 3308/4.1=4...(5) HG3 PRO 19 + QD1 LEU 85 OK 16 81 - 20 - 4375/2.1=3, 3.8/4365=2...(8) HB3 PRO 84 + QD1 LEU 87 OK 15 98 - 16 - 4.3/916=6, 2.3/5955=5, ~5954=2 HB2 GLU 49 + QD1 LEU 85 OK 14 100 - 14 - 399/4.7=2, 4964/2.1=2...(4) HB3 LYS 78 + QD1 LEU 85 OK 13 73 - 18 - ~5813=2, 3308/4.0=2...(6) HG3 PRO 19 - QD1 LEU 87 poor 9 80 - 11 - 4375/2.1=1, 3.8/4365=1...(4) HB2 GLU 49 - QD1 LEU 87 lone 7 100 - 7 - 4934/4.7=1 HB VAL 66 - QD1 LEU 87 lone 6 100 - 6 - 3002/4.8=2 HB ILE 35 - QD1 LEU 85 lone 6 65 - 9 - 399/4.7=2 HB3 GLU 37 - QD1 LEU 85 lone 6 92 - 6 - 399/4.7=1 HB VAL 66 - QD1 LEU 85 lone 5 100 - 5 - HG2 PRO 81 - QD1 LEU 85 lone 4 93 - 4 - 399/4.7=1 HB ILE 35 - QD1 LEU 87 lone 3 65 - 5 - HG2 PRO 81 - QD1 LEU 87 lone 3 93 - 3 - HB3 GLU 37 - QD1 LEU 87 lone 3 91 - 3 - Peak 5959 from cnoeabs.peaks (7.98, 0.84, 23.25 ppm; 4.92 A): 0 out of 4 assignments used, low quality = 0.30: H LYS 68 - QD2 LEU 87 OK 16 94 - 17 - 1049/4.8=4, 831/2.1=3...(5) H LYS 68 - QD2 LEU 85 OK 16 100 - 16 - 831/2.1=2, 831/3.1=2...(5) H ASP 43 - QD2 LEU 87 lone 3 92 - 3 - H ASP 43 - QD2 LEU 85 lone 2 99 - 2 - Peak 5960 from cnoeabs.peaks (7.90, 0.84, 23.25 ppm; 4.09 A): 0 out of 4 assignments used, low quality = 0.00: HD21 ASN 18 - QD2 LEU 85 lone 1 78 - 1 - HD21 ASN 18 - QD2 LEU 87 lone 1 69 - 1 - HD21 ASN 24 - QD2 LEU 85 lone 1 63 - 1 - HD21 ASN 24 - QD2 LEU 87 lone 1 54 - 1 - Peak 5962 from cnoeabs.peaks (1.58, 4.29, 51.91 ppm; 4.81 A): 5 out of 9 assignments used, quality = 0.94: HB3 LEU 85 + HA ALA 86 OK 64 95 - 68 - ~406=13, ~405=12...(18) HB2 LEU 87 + HA ALA 86 OK 63 81 - 79 - 3.9/412=37, ~5963=8...(22) HG LEU 85 + HA ALA 86 OK 38 65 - 58 - ~406=9, ~5963=8, ~410=8...(13) HD2 LYS 65 + HA ALA 86 OK 13 100 - 13 - ~4034=2, 407/3.0=2...(6) HD3 LYS 65 + HA ALA 86 OK 13 100 - 12 - 407/3.0=2, ~4034=2...(6) HB2 LEU 12 - HA ALA 86 lone 4 81 - 5 - HB2 LYS 68 - HA ALA 86 lone 3 71 - 4 - HD3 LYS 14 - HA ALA 86 lone 3 100 - 3 - HD2 LYS 14 - HA ALA 86 lone 3 99 - 3 - Peak 5963 from cnoeabs.peaks (0.84, 1.34, 18.84 ppm; 3.53 A): 3 out of 18 assignments used, quality = 0.65: QD2 LEU 87 + QB ALA 86 OK 40 100 - 40 - 4.7/413=12, 410/2.9=6...(17) QD2 LEU 85 + QB ALA 86 OK 33 98 - 34 - 410/2.9=7, ~406=4...(13) QD2 LEU 30 + QB ALA 89 OK 12 57 - 21 - 1911/2.9=4, ~1897=3...(11) QD2 LEU 87 - QB ALA 89 poor 9 83 - 11 - 4.7/413=2, ~6026=2, 4.8/3616=1 QD2 LEU 73 - QB ALA 86 lone 7 99 - 7 - 410/2.9=2, 927/3.7=1, ~5705=1 QD2 LEU 85 - QB ALA 89 lone 5 79 - 7 - ~6026=2 HD2 LYS 26 - QB ALA 86 lone 5 100 - 5 - 410/2.9=2, 927/3.7=1 QD2 LEU 30 - QB ALA 86 lone 5 76 - 6 - 6205/3.7=4 QB ALA 75 - QB ALA 86 lone 4 76 - 6 - 6108=2, ~4234=1, ~1087=1 QG2 VAL 47 - QB ALA 86 lone 3 100 - 3 - QG1 VAL 47 - QB ALA 86 lone 2 73 - 3 - QG2 ILE 35 - QB ALA 86 lone 2 78 - 2 - QD2 LEU 73 - QB ALA 89 lone 1 82 - 1 - QG2 VAL 47 - QB ALA 89 lone 1 82 - 1 - HD2 LYS 26 - QB ALA 89 lone 1 83 - 1 - QG1 VAL 47 - QB ALA 89 lone 1 55 - 1 - QB ALA 75 - QB ALA 89 lone 1 57 - 1 - QG2 ILE 35 - QB ALA 89 lone 1 59 - 1 - Peak 5966 from cnoeabs.peaks (0.71, 6.82, 132.83 ppm; 6.02 A): 3 out of 5 assignments used, quality = 0.99: QG1 VAL 50 + QD TYR 32 OK 87 88 - 100 - 2.1/4613=49, 5036/2.2=46...(20) QG2 VAL 20 + QD TYR 32 OK 79 82 - 96 - ~4408=44, 4410/2.2=43...(22) QD2 LEU 76 + QD TYR 32 OK 56 97 - 58 - 5771/2.5=9, ~4625=6...(22) HG3 LYS 64 - QD TYR 32 OK 30 97 - 31 - 4869/4925=7, 4858/4912=4...(11) QD1 LEU 79 - QD TYR 32 OK 28 67 - 42 - 2.1/5873=12, ~4616=5...(13) Peak 5967 from cnoeabs.peaks (2.43, 7.09, 119.57 ppm; 6.04 A): 1 out of 4 assignments used, quality = 0.68: HB3 ASP 43 + HD2 HIS 42 OK 68 100 - 68 - 4792=41, 1.8/4629=38...(4) HG3 MET 21 - HD2 HIS 42 lone 4 73 - 5 - HG3 GLU 25 - HD2 HIS 42 lone 3 96 - 3 - HG3 GLU 77 - HD2 HIS 42 lone 2 71 - 3 - Peak 5968 from cnoeabs.peaks (1.06, 7.02, 131.23 ppm; 5.88 A): 2 out of 4 assignments used, quality = 0.97: QD2 LEU 34 + QD PHE 46 OK 94 99 - 94 - 4686=36, 2.1/4690=32...(22) QG2 VAL 66 + QD PHE 46 OK 48 91 - 53 - 2.1/5474=12...(9) HG2 LYS 56 - QD PHE 46 OK 28 96 - 29 - 2.9/4742=4, 4828/4.8=4...(12) QG2 THR 38 - QD PHE 46 lone 7 75 - 10 - 4828/4.8=1, 3.2/4630=1 Peak 5970 from cnoeabs.peaks (7.56, 1.93, 33.48 ppm; 4.03 A): 2 out of 4 assignments used, quality = 0.83: H SER 36 + HB VAL 47 OK 77 100 - 77 - 4.0/4832=21, 4769/4.0=18...(11) H LYS 44 + HB VAL 47 OK 23 97 - 24 - 5971/2.1=5, 5969/4.0=5...(7) HE22 GLN 55 - HB VAL 47 lone 7 71 - 9 - 5973/2.1=2, 5971/2.1=1 HD21 ASN 63 - HB VAL 47 lone 4 78 - 6 - Peak 5971 from cnoeabs.peaks (7.56, 0.84, 20.61 ppm; 4.18 A): 4 out of 8 assignments used, quality = 0.90: H SER 36 + QG2 VAL 47 OK 76 100 - 76 - 5970/2.1=26, 4769/3.9=19...(14) H SER 36 + QG1 VAL 47 OK 40 55 - 73 - 5970/2.1=26, 4769/3.9=19...(14) H LYS 44 + QG2 VAL 47 OK 23 92 - 25 - 5970/2.1=8, 5969/3.9=4...(5) H LYS 44 + QG1 VAL 47 OK 10 46 - 22 - 5970/2.1=8, 5969/3.9=4...(7) HE22 GLN 55 - QG2 VAL 47 lone 7 83 - 8 - 5970/2.1=2 HD21 ASN 63 - QG2 VAL 47 lone 4 65 - 6 - 5970/2.1=2 HE22 GLN 55 - QG1 VAL 47 lone 3 40 - 8 - 5970/2.1=2 HD21 ASN 63 - QG1 VAL 47 lone 2 30 - 5 - 5970/2.1=2 Peak 5972 from cnoeabs.peaks (6.06, 0.84, 20.61 ppm; 3.88 A): 2 out of 2 assignments used, quality = 0.75: HA ALA 60 + QG2 VAL 47 OK 64 78 - 82 - 5351/3.2=20, 2.1/5369=19...(17) HA ALA 60 + QG1 VAL 47 OK 31 37 - 83 - 5351/3.2=20, 2.1/5369=17...(17) Peak 5973 from cnoeabs.peaks (7.55, 0.82, 20.93 ppm; 4.53 A): 5 out of 10 assignments used, quality = 0.89: H SER 36 + QG1 VAL 47 OK 73 92 - 80 - 5970/2.1=24, 4769/3.9=20...(16) H SER 36 + QG2 VAL 47 OK 35 46 - 75 - 5970/2.1=24, 4769/3.9=20...(14) H LYS 44 + QG1 VAL 47 OK 17 71 - 23 - 5970/2.1=7, 5969/3.9=3...(6) H ALA 69 + QG1 VAL 47 OK 13 68 - 20 - 3.6/3028=4, 323=3...(5) HE22 GLN 55 + QG1 VAL 47 OK 11 97 - 11 - 5970/2.1=2 H LYS 44 - QG2 VAL 47 poor 7 33 - 20 - 5970/2.1=7, 5969/3.9=3...(4) HE22 GLN 55 - QG2 VAL 47 lone 4 52 - 8 - 5970/2.1=2 H ASN 63 - QG1 VAL 47 lone 4 71 - 5 - H ALA 69 - QG2 VAL 47 lone 3 31 - 8 - 323/2.1=2 H ASN 63 - QG2 VAL 47 lone 1 33 - 4 - 5405/5373=1 Peak 5974 from cnoeabs.peaks (6.07, 0.82, 20.93 ppm; 4.61 A): 2 out of 2 assignments used, quality = 0.94: HA ALA 60 + QG1 VAL 47 OK 89 96 - 93 - 5981/3.2=34, 5342/4.3=27...(17) HA ALA 60 + QG2 VAL 47 OK 46 50 - 93 - 5981/3.2=34, 5342/4.3=27...(17) Peak 5975 from cnoeabs.peaks (5.80, 0.82, 20.93 ppm; 4.82 A): 2 out of 2 assignments used, quality = 0.94: HA GLN 58 + QG1 VAL 47 OK 90 99 - 91 - 4899/4.3=27, 3.6/5978=23...(33) HA GLN 58 + QG2 VAL 47 OK 45 53 - 84 - 4899/4.3=27, 3.6/5317=13...(31) Peak 5977 from cnoeabs.peaks (8.98, 1.93, 33.48 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.88: H ILE 35 + HB VAL 47 OK 88 100 - 88 - 4.5/4838=26, 5979/2.1=26...(17) Peak 5978 from cnoeabs.peaks (8.84, 0.82, 20.93 ppm; 4.16 A): 2 out of 2 assignments used, quality = 0.91: H GLY 59 + QG1 VAL 47 OK 84 100 - 84 - 5337/4.3=27, 5335/3.2=23...(20) H GLY 59 + QG2 VAL 47 OK 44 56 - 79 - 5337/4.3=27, 5335/3.2=23...(17) Peak 5979 from cnoeabs.peaks (8.98, 0.82, 20.93 ppm; 5.21 A): 2 out of 2 assignments used, quality = 0.95: H ILE 35 + QG1 VAL 47 OK 90 100 - 91 - 5977/2.1=38, 4701/4.3=25...(20) H ILE 35 + QG2 VAL 47 OK 48 56 - 86 - 5977/2.1=38, 4701/4.3=25...(15) Peak 5981 from cnoeabs.peaks (6.08, 5.04, 61.28 ppm; 3.63 A): 1 out of 1 assignment used, quality = 0.86: HA ALA 60 + HA VAL 47 OK 86 100 - 86 - 5351=40, 2.1/5350=27...(13) Peak 5983 from cnoeabs.peaks (6.92, 7.21, 131.31 ppm; 3.99 A): 2 out of 2 assignments used, quality = 0.98: * HZ PHE 57 + QE PHE 57 OK 95 95 - 100 - 2.2=100 HZ PHE 80 + QE PHE 57 OK 63 98 - 64 - 2.2/3442=12, 4574/2.2=12...(26) Peak 5984 from cnoeabs.peaks (6.93, 7.16, 132.69 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.95: * HZ PHE 57 + QD PHE 57 OK 88 88 - 100 - 3.8=100 HZ PHE 80 + QD PHE 57 OK 60 90 - 67 - 5983/2.2=19, 4574=15...(18) Peak 5985 from cnoeabs.peaks (2.16, 7.21, 131.31 ppm; 4.78 A): 2 out of 3 assignments used, quality = 0.99: HG2 GLN 55 + QE PHE 57 OK 92 99 - 93 - 2.9/5186=20, 1.8/5193=19...(27) HB VAL 52 + QE PHE 57 OK 85 99 - 85 - 4.0/4652=30, 4667/2.2=18...(22) HB3 MET 21 - QE PHE 57 OK 28 95 - 30 - 4667/2.2=5, 4655/2.2=3...(14) Peak 5986 from cnoeabs.peaks (2.02, 7.21, 131.31 ppm; 4.50 A): 3 out of 9 assignments used, quality = 0.98: HB2 GLN 55 + QE PHE 57 OK 79 85 - 93 - 5186=22, 5185/2.2=19...(26) HG3 GLN 55 + QE PHE 57 OK 77 83 - 93 - 1.8/4658=22, 5193=19...(27) HB2 LYS 78 + QE PHE 57 OK 62 69 - 89 - 1.8/4660=23, 2.8/4662=20...(21) HB2 LEU 23 - QE PHE 57 OK 36 99 - 36 - 3.1/4483=8, 3.1/4664=8...(10) HG2 GLU 49 - QE PHE 57 OK 26 99 - 26 - 4935/6.4=6, 4948/5.6=5...(8) HB3 GLU 49 - QE PHE 57 OK 21 99 - 21 - 4937/6.4=5, 4668/2.2=3...(7) HB2 LEU 34 - QE PHE 57 lone 7 72 - 10 - 2075/6.4=3, 4667/5.6=3 HG2 PRO 84 - QE PHE 57 lone 5 74 - 6 - 2.3/4660=2 HB2 GLU 25 - QE PHE 57 lone 4 66 - 6 - Peak 5987 from cnoeabs.peaks (1.89, 7.21, 131.31 ppm; 5.18 A): 4 out of 8 assignments used, quality = 0.89: HB3 LYS 78 + QE PHE 57 OK 81 87 - 93 - 5825/2.2=23, 2.8/4662=23...(23) HG2 PRO 81 + QE PHE 57 OK 26 64 - 41 - 2.3/5910=9, 2.3/5907=8...(11) HG3 PRO 19 + QE PHE 57 OK 13 81 - 16 - 4675/2.2=2, ~4341=1...(4) HB3 GLN 58 + QE PHE 57 OK 10 99 - 10 - 4.6/4651=3, 5288/4666=1 HB3 MET 11 - QE PHE 57 lone 6 99 - 6 - HB ILE 35 - QE PHE 57 lone 6 92 - 7 - 2.1/4665=1 HB2 MET 11 - QE PHE 57 lone 6 98 - 6 - HB3 GLU 37 - QE PHE 57 lone 5 66 - 7 - Peak 5988 from cnoeabs.peaks (1.76, 7.21, 131.31 ppm; 5.08 A): 4 out of 13 assignments used, quality = 1.00: HB3 GLN 55 + QE PHE 57 OK 90 94 - 95 - 1.8/5186=24, 2.9/4658=21...(23) QB ALA 74 + QE PHE 57 OK 74 92 - 81 - 5730/2.2=28, 5720/4.4=17...(11) HD3 LYS 78 + QE PHE 57 OK 71 76 - 93 - 2.9/4662=22, 3.7/4660=20...(25) HB2 ARG 27 + QE PHE 57 OK 53 92 - 58 - ~4542=11, 1.8/4662=10...(15) HB3 ARG 28 - QE PHE 57 OK 20 99 - 20 - 5260/2.2=3, 5253/4.4=3...(7) HB2 LEU 73 - QE PHE 57 OK 19 97 - 20 - 3.1/4665=3, 5260/2.2=1...(6) HB3 LYS 65 - QE PHE 57 OK 19 66 - 29 - 5188/2.2=4, 5189=4...(10) HB2 LYS 65 - QE PHE 57 OK 17 66 - 26 - 1.8/5189=4, ~5188=3...(7) HB2 ARG 28 - QE PHE 57 OK 13 69 - 19 - 5253/4.4=3, 4669/2.2=2...(6) QE MET 11 - QE PHE 57 OK 11 98 - 11 - 4.3/5987=1, 4.3/5987=1 HB2 LYS 31 - QE PHE 57 OK 11 69 - 16 - 1.8/4662=3, 4669/2.2=2...(5) HB3 MET 48 - QE PHE 57 lone 9 96 - 9 - HG3 GLU 37 - QE PHE 57 lone 6 66 - 9 - 3.0/4660=1 Peak 5989 from cnoeabs.peaks (1.71, 7.21, 131.31 ppm; 5.09 A): 2 out of 9 assignments used, quality = 0.96: HG2 LYS 78 + QE PHE 57 OK 92 96 - 95 - 5826/2.2=28, 2.8/4660=23...(26) HB3 ARG 27 + QE PHE 57 OK 55 93 - 59 - ~4542=11, ~4538=7...(19) HB3 GLU 51 - QE PHE 57 OK 33 61 - 55 - 4.6/4652=29, ~5085=23...(5) HB2 LEU 30 - QE PHE 57 OK 33 81 - 41 - 1.8/4664=8, 3.1/4665=6...(13) HB3 LYS 31 - QE PHE 57 OK 16 95 - 16 - 4677/2.2=1, ~4669=1...(6) HB3 LYS 65 - QE PHE 57 OK 15 72 - 20 - 3.0/5990=2, 1.8/4661=2...(8) HB3 LYS 17 - QE PHE 57 lone 9 97 - 9 - 3823/6.4=1 HB2 LYS 17 - QE PHE 57 lone 9 96 - 9 - 3823/6.4=1 HB3 LYS 91 - QE PHE 57 lone 5 72 - 7 - Peak 5990 from cnoeabs.peaks (1.45, 7.21, 131.31 ppm; 5.78 A): 3 out of 10 assignments used, quality = 0.99: HG3 LYS 78 + QE PHE 57 OK 95 97 - 97 - ~5826=26, 5827/2.2=26...(27) HB3 LEU 76 + QE PHE 57 OK 71 92 - 78 - 5778=13, 3.1/4666=12...(23) HG LEU 79 + QE PHE 57 OK 58 64 - 90 - ~5872=19, 2.1/4666=19...(24) HG2 LYS 65 - QE PHE 57 OK 29 99 - 29 - 3.0/5189=4, ~5188=3...(11) HD2 LYS 64 - QE PHE 57 OK 22 98 - 23 - ~4673=5, ~5262=4...(5) HG LEU 12 - QE PHE 57 OK 19 90 - 21 - 2.1/5992=4, 5865/2.2=2...(7) HB3 LYS 64 - QE PHE 57 OK 19 97 - 19 - ~4673=5, ~5262=4...(4) HB3 LEU 34 - QE PHE 57 poor 9 64 - 14 - 2082/6.4=4, 4668/5.6=3...(4) HB3 ARG 45 - QE PHE 57 lone 5 99 - 5 - HD2 LYS 44 - QE PHE 57 lone 3 61 - 4 - Peak 5991 from cnoeabs.peaks (0.92, 7.21, 131.31 ppm; 5.29 A): 3 out of 7 assignments used, quality = 0.95: QG2 VAL 52 + QE PHE 57 OK 74 81 - 92 - 4.0/4652=35, 2.1/4658=20...(25) QG1 VAL 52 + QE PHE 57 OK 63 69 - 91 - 4.0/4652=35, 2.1/4658=20...(25) QD2 LEU 23 + QE PHE 57 OK 43 98 - 44 - 2.1/4483=10, 4671/2.2=7...(15) HD3 LYS 26 - QE PHE 57 OK 31 79 - 40 - 1.8/4665=9, 3.0/5992=6...(10) HB3 LEU 30 - QE PHE 57 OK 31 79 - 39 - 3.1/4665=6, 1.8/4662=6...(12) QD1 LEU 87 - QE PHE 57 OK 13 66 - 19 - 2.1/4665=4, 4.7/4651=4...(5) QD1 LEU 85 - QE PHE 57 poor 7 58 - 12 - 2.1/4665=2, 4.0/4656=2 Peak 5992 from cnoeabs.peaks (0.74, 7.21, 131.31 ppm; 4.56 A): 3 out of 7 assignments used, quality = 0.95: QD1 LEU 79 + QE PHE 57 OK 86 99 - 87 - 5867/2.2=18, 5866=15...(30) QD2 LEU 76 + QE PHE 57 OK 42 66 - 63 - 3.1/5778=7, ~4672=7...(20) HG2 LYS 26 + QE PHE 57 OK 39 98 - 40 - 3.0/4665=7, 3.0/4664=6...(11) QD1 LEU 30 - QE PHE 57 OK 23 61 - 38 - 2.1/4665=6, 3.1/4664=6...(9) QG1 VAL 20 - QE PHE 57 OK 23 99 - 23 - 4679/2.2=2, ~5262=2...(4) QG2 VAL 20 - QE PHE 57 OK 19 94 - 20 - 4679/2.2=2, ~4679=1...(4) QD1 LEU 12 - QE PHE 57 OK 18 99 - 19 - 2.1/4663=2, 4679/2.2=2, ~5865=1 Peak 5993 from cnoeabs.peaks (6.92, 7.03, 130.60 ppm; 3.27 A): 2 out of 2 assignments used, quality = 0.91: HZ PHE 80 + QE PHE 80 OK 86 86 - 100 - 2.2=100 HZ PHE 57 + QE PHE 80 OK 39 81 - 48 - 4594=11, 4589/2.2=10...(13) Peak 5994 from cnoeabs.peaks (7.90, 1.77, 16.19 ppm; 5.20 A): 0 out of 1 assignment used, low quality = 0.00: HD21 ASN 18 - QE MET 11 lone 2 85 - 2 - Peak 6007 from cnoeabs.peaks (7.05, 2.96, 43.10 ppm; 4.33 A): 2 out of 4 assignments used, quality = 1.00: HE ARG 45 + HD3 ARG 45 OK 100 100 - 100 - 2.9=100 HE ARG 45 + HD2 ARG 45 OK 100 100 - 100 - 2.9=100 QE PHE 80 - HD3 ARG 45 lone 5 73 - 6 - ~3447=1 QE PHE 80 - HD2 ARG 45 lone 5 73 - 6 - ~3447=1 Peak 6011 from cnoeabs.peaks (0.85, 2.96, 43.10 ppm; 4.28 A): 6 out of 18 assignments used, quality = 0.81: QG2 VAL 47 + HD2 ARG 45 OK 36 99 - 36 - 4840/3.0=10, 4842=7...(10) QG2 VAL 47 + HD3 ARG 45 OK 36 99 - 36 - 4840/3.0=10, 4842=7...(10) QG1 VAL 47 + HD3 ARG 45 OK 23 68 - 34 - ~4840=6, 2.1/4842=6...(11) QG1 VAL 47 + HD2 ARG 45 OK 23 68 - 34 - ~4840=6, 2.1/4842=6...(11) HD2 LYS 26 + HD2 ARG 45 OK 13 100 - 12 - 1720/3.0=2, 3.6/2351=2...(5) HD2 LYS 26 + HD3 ARG 45 OK 13 100 - 12 - 1720/3.0=2, 3.6/2351=2...(5) QG2 ILE 35 - HD2 ARG 45 lone 7 73 - 9 - 6167/3.0=2, ~2336=1, 3.2/2357=1 QG2 ILE 35 - HD3 ARG 45 lone 7 73 - 9 - 6167/3.0=2, ~2336=1, 3.2/2357=1 QD2 LEU 73 - HD2 ARG 45 lone 3 99 - 3 - QD2 LEU 73 - HD3 ARG 45 lone 3 99 - 3 - QD2 LEU 85 - HD3 ARG 45 lone 3 97 - 3 - QD2 LEU 85 - HD2 ARG 45 lone 3 97 - 3 - QD2 LEU 87 - HD3 ARG 45 lone 3 100 - 3 - QD2 LEU 87 - HD2 ARG 45 lone 3 100 - 3 - QB ALA 75 - HD2 ARG 45 lone 2 81 - 3 - QB ALA 75 - HD3 ARG 45 lone 2 81 - 3 - QD2 LEU 30 - HD2 ARG 45 lone 1 81 - 2 - QD2 LEU 30 - HD3 ARG 45 lone 1 81 - 2 - Peak 6012 from cnoeabs.peaks (2.94, 1.45, 32.59 ppm; 4.19 A): 2 out of 18 assignments used, quality = 1.00: * HD2 ARG 45 + HB3 ARG 45 OK 97 97 - 100 - 3.6=100 HD3 ARG 45 + HB3 ARG 45 OK 97 97 - 100 - 3.6=100 HD2 ARG 45 - HB3 LYS 64 OK 16 57 - 28 - 3.0/2338=7, 3.6/6016=6...(8) HD3 ARG 45 - HB3 LYS 64 OK 16 57 - 28 - 3.0/2338=7, 3.6/6016=6...(8) HE2 LYS 31 - HB3 ARG 45 OK 11 73 - 14 - 6014/1.8=2, 2341/2.9=2...(8) HE3 LYS 31 - HB3 ARG 45 OK 10 71 - 14 - 2341/2.9=2, 6014/1.8=2...(8) HE2 LYS 91 - HB3 ARG 45 lone 5 81 - 6 - HE3 LYS 91 - HB3 ARG 45 lone 5 81 - 6 - HB2 ASN 63 - HB3 LYS 64 poor 4 28 - 14 - 286/4.0=8, 5411/4.6=4, ~5417=3 HB2 ASN 24 - HB3 LYS 64 lone 4 41 - 9 - 286/4.0=3, ~5417=1, 1630/4.6=1 HB3 HIS 15 - HB3 ARG 45 lone 3 83 - 3 - HB2 ASN 63 - HB3 ARG 45 lone 2 57 - 3 - 4.4/807=2 HB2 ASN 24 - HB3 ARG 45 lone 1 78 - 2 - HB3 HIS 15 - HB3 LYS 64 lone 1 44 - 3 - HE2 LYS 91 - HB3 LYS 64 lone 1 43 - 2 - HE3 LYS 91 - HB3 LYS 64 lone 1 43 - 2 - HE2 LYS 31 - HB3 LYS 64 lone 1 38 - 1 - HE3 LYS 31 - HB3 LYS 64 lone 0 36 - 1 - Peak 6014 from cnoeabs.peaks (2.94, 1.51, 32.59 ppm; 3.80 A): 2 out of 9 assignments used, quality = 1.00: HD2 ARG 45 + HB2 ARG 45 OK 97 97 - 100 - 3.6=100 * HD3 ARG 45 + HB2 ARG 45 OK 97 97 - 100 - 3.6=100 HE2 LYS 31 - HB2 ARG 45 poor 10 73 - 13 - 7.0/6180=2, 2342/2.9=2...(6) HE3 LYS 31 - HB2 ARG 45 poor 9 71 - 13 - 7.0/6180=2, 2342/2.9=2...(6) HE2 LYS 91 - HB2 ARG 45 lone 4 81 - 5 - HE3 LYS 91 - HB2 ARG 45 lone 4 81 - 5 - HB3 HIS 15 - HB2 ARG 45 lone 2 83 - 3 - HB2 ASN 24 - HB2 ARG 45 lone 1 78 - 2 - HB2 ASN 63 - HB2 ARG 45 lone 1 57 - 2 - Peak 6015 from cnoeabs.peaks (1.17, 1.51, 32.59 ppm; 3.68 A): 2 out of 3 assignments used, quality = 1.00: HG2 ARG 45 + HB2 ARG 45 OK 100 100 - 100 - 2.9=100 HG3 LYS 44 + HB2 ARG 45 OK 54 97 - 56 - 6017/1.8=9, 2346/2.9=7...(24) HG12 ILE 35 - HB2 ARG 45 lone 6 71 - 8 - 4.2/6021=2 Peak 6016 from cnoeabs.peaks (1.45, 1.51, 32.59 ppm; 2.87 A): 1 out of 8 assignments used, quality = 1.00: * HB3 ARG 45 + HB2 ARG 45 OK 100 100 - 100 - 1.8=100 HD2 LYS 64 - HB2 ARG 45 OK 34 100 - 35 - 2874=5, 2338/2.9=4...(16) HB3 LYS 64 - HB2 ARG 45 OK 29 95 - 31 - 2338/2.9=3, 2844=3...(16) HB3 LEU 76 - HB2 ARG 45 lone 4 98 - 4 - HG3 LYS 78 - HB2 ARG 45 lone 3 100 - 3 - HG2 LYS 65 - HB2 ARG 45 lone 2 99 - 2 - HG LEU 12 - HB2 ARG 45 lone 2 97 - 2 - HG LEU 79 - HB2 ARG 45 lone 1 78 - 1 - Peak 6017 from cnoeabs.peaks (1.17, 1.45, 32.59 ppm; 4.09 A): 2 out of 6 assignments used, quality = 1.00: HG2 ARG 45 + HB3 ARG 45 OK 100 100 - 100 - 2.9=100 HG3 LYS 44 + HB3 ARG 45 OK 65 100 - 65 - 6015/1.8=14, 2346/2.9=8...(31) HG2 ARG 45 - HB3 LYS 64 OK 32 62 - 53 - 2338=9, 2.9/6016=7...(26) HG3 LYS 44 - HB3 LYS 64 OK 29 61 - 47 - 2290/1.8=4, ~2300=3...(27) HG2 LYS 14 - HB3 ARG 45 lone 1 63 - 2 - HG2 LYS 14 - HB3 LYS 64 lone 1 32 - 3 - Peak 6018 from cnoeabs.peaks (1.45, 1.45, 32.59 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 45 + HB3 ARG 45 OK 100 100 - 100 HB3 LYS 64 + HB3 LYS 64 OK 54 54 - 100 Peak 6019 from cnoeabs.peaks (1.51, 1.51, 32.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 45 + HB2 ARG 45 OK 100 100 - 100 Peak 6020 from cnoeabs.peaks (4.35, 1.45, 32.59 ppm; 5.08 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 45 + HB3 ARG 45 OK 100 100 - 100 - 3.0=100 HA LYS 44 + HB3 ARG 45 OK 61 93 - 65 - 6021/1.8=12, 2336/2.9=12...(20) HA ARG 45 - HB3 LYS 64 OK 32 61 - 53 - 3.0/6016=8, 3.7/2338=8...(22) HA LYS 44 - HB3 LYS 64 OK 23 53 - 45 - 3.8/6017=5, ~2270=4...(19) HA ILE 35 - HB3 ARG 45 OK 20 99 - 20 - 6021/1.8=4, 2336/2.9=4...(10) HA THR 13 - HB3 ARG 45 OK 11 89 - 13 - 6021/1.8=2, 2336/2.9=2...(4) HA PRO 84 - HB3 ARG 45 poor 9 90 - 10 - 6021/1.8=2, ~3550=2...(4) HA THR 13 - HB3 LYS 64 poor 7 49 - 14 - 4286/4.0=3, ~16=3...(4) HA ILE 35 - HB3 LYS 64 lone 4 59 - 8 - 3.0/157=2, 4.8/2071=1 HA PRO 84 - HB3 LYS 64 lone 2 50 - 4 - Peak 6021 from cnoeabs.peaks (4.35, 1.51, 32.59 ppm; 4.32 A): 2 out of 5 assignments used, quality = 1.00: * HA ARG 45 + HB2 ARG 45 OK 100 100 - 100 - 3.0=100 HA LYS 44 + HB2 ARG 45 OK 48 93 - 52 - 3.8/6015=10, 2251/2.9=9...(20) HA ILE 35 - HB2 ARG 45 OK 17 99 - 17 - 2336/2.9=3, 6020/1.8=2...(8) HA THR 13 - HB2 ARG 45 lone 9 89 - 10 - 2336/2.9=1, 6020/1.8=1 HA PRO 84 - HB2 ARG 45 lone 8 90 - 8 - ~3550=1, 6020/1.8=1 Peak 6022 from cnoeabs.peaks (9.01, 1.45, 32.59 ppm; 5.94 A): 0 out of 0 assignments used, low quality = 0.00: Peak 6023 from cnoeabs.peaks (9.01, 1.51, 32.59 ppm; 5.87 A): 0 out of 0 assignments used, low quality = 0.00: Peak 6027 from cnoeabs.peaks (1.97, 1.10, 21.44 ppm; 3.34 A): 9 out of 42 assignments used, quality = 0.85: HB2 PRO 19 + QG2 THR 13 OK 24 99 - 24 - 2.3/4364=6, 2.3/4374=5...(7) HB3 PRO 19 + QG2 THR 13 OK 23 97 - 24 - 2.3/4364=6, 2.3/4374=5...(7) HG2 PRO 19 + QG2 THR 13 OK 23 95 - 24 - 1.8/4374=5, 2.3/4350=5...(7) HB2 PRO 19 + QG1 VAL 66 OK 21 78 - 26 - 2.3/4374=4, 3.0/4350=4...(6) HG2 PRO 19 + QG1 VAL 66 OK 19 71 - 27 - 1.8/4374=5, 2.3/4278=4...(7) HB3 PRO 19 + QG1 VAL 66 OK 19 74 - 26 - 2.3/4374=4, 3.0/4350=4...(6) HB2 PRO 19 + QG2 THR 38 OK 14 62 - 23 - 2.3/4364=5, 2.3/4374=4...(8) HB3 PRO 19 + QG2 THR 38 OK 14 58 - 23 - 2.3/4364=5, 2.3/4374=4...(8) HG2 PRO 19 + QG2 THR 38 OK 13 56 - 23 - 1.8/4374=5, 2.3/4350=3...(9) HB2 LEU 34 - QG1 VAL 66 poor 9 56 - 15 - 2080/2.1=2, ~5466=2...(6) HB2 LEU 76 - QG2 THR 13 poor 7 65 - 10 - 3.1/6206=4, 3.1/6207=3 HB2 LEU 34 - QG2 THR 38 poor 6 43 - 15 - ~4787=3, ~4674=2...(7) HB2 LEU 76 - QG1 VAL 66 poor 6 46 - 13 - 3.1/6206=4, 3.1/6207=3...(4) HB2 GLU 77 - QG1 VAL 66 lone 3 70 - 5 - 3263/4.0=1 HB2 GLU 51 - QG1 VAL 66 lone 3 79 - 4 - 5064/2.1=1 HG2 PRO 84 - QG1 VAL 66 lone 3 54 - 6 - 2.3/4359=1 HG3 PRO 84 - QG1 VAL 66 lone 3 52 - 6 - 2.3/4359=1 HB2 GLU 77 - QG2 THR 13 lone 3 93 - 3 - HB3 PRO 81 - QG1 VAL 66 lone 3 80 - 3 - HB2 LEU 76 - QG2 THR 38 lone 2 35 - 7 - 3.1/6206=3, 3.1/6207=2 HG2 PRO 84 - QG2 THR 13 lone 2 76 - 3 - HE3 LYS 68 - QG1 VAL 66 lone 2 70 - 3 - 5567/4687=1 HG3 PRO 84 - QG2 THR 13 lone 2 73 - 3 - HB2 GLN 58 - QG1 VAL 66 lone 2 73 - 3 - HE3 LYS 68 - QG2 THR 13 lone 2 93 - 2 - HB3 PRO 81 - QG2 THR 13 lone 2 100 - 2 - HB2 GLU 25 - QG2 THR 13 lone 2 83 - 2 - HB2 LYS 78 - QG1 VAL 66 lone 2 58 - 3 - HB2 LYS 78 - QG2 THR 13 lone 2 81 - 2 - HB2 GLN 58 - QG2 THR 13 lone 1 96 - 1 - HB2 GLU 51 - QG2 THR 38 lone 1 63 - 2 - HB2 GLU 77 - QG2 THR 38 lone 1 55 - 2 - HB2 GLU 25 - QG1 VAL 66 lone 1 60 - 2 - HB2 LEU 34 - QG2 THR 13 lone 1 78 - 1 - HB2 GLU 51 - QG2 THR 13 lone 1 100 - 1 - HG2 PRO 84 - QG2 THR 38 lone 1 41 - 2 - HB3 PRO 81 - QG2 THR 38 lone 1 63 - 1 - HG3 PRO 84 - QG2 THR 38 lone 1 40 - 2 - HB2 LYS 78 - QG2 THR 38 lone 1 45 - 2 - HB2 GLN 58 - QG2 THR 38 lone 1 57 - 1 - HB2 GLU 25 - QG2 THR 38 lone 1 46 - 1 - HE3 LYS 68 - QG2 THR 38 lone 0 55 - 1 - Peak 6028 from cnoeabs.peaks (1.72, 1.10, 21.44 ppm; 3.76 A): 8 out of 27 assignments used, quality = 0.77: HB2 LYS 17 + QG2 THR 13 OK 26 100 - 26 - 4.0/4316=7, 4317=6...(5) HB3 LYS 17 + QG2 THR 13 OK 26 100 - 26 - 4.0/4316=7, 4317=6...(5) HB3 LYS 65 + QG1 VAL 66 OK 19 73 - 26 - 4.4/825=12, 3.8/4287=4...(4) HB2 LEU 73 + QG2 THR 13 OK 18 57 - 32 - 3.1/4280=6, 3.1/6100=6...(7) HB3 ARG 27 + QG1 VAL 66 OK 13 50 - 27 - ~1773=3, 1781/3.2=3...(12) HB2 LYS 17 + QG1 VAL 66 OK 11 80 - 14 - 4317=3, 1.8/4317=3...(5) HB3 LYS 17 + QG1 VAL 66 OK 11 80 - 14 - 4317=3, 1.8/4317=3...(5) HB3 LYS 31 + QG2 THR 38 OK 11 41 - 26 - 1938/4.0=5, 1939/3.2=4...(9) HB3 LYS 65 - QG2 THR 13 lone 8 96 - 8 - 4.4/825=3, 3.8/4287=2 HB2 LYS 17 - QG2 THR 38 lone 5 64 - 8 - 4317=2, 4.0/4316=2, 1.8/4317=2 HB3 LYS 17 - QG2 THR 38 lone 5 63 - 8 - 4317=2, 4.0/4316=2, 1.8/4317=2 HB3 ARG 27 - QG2 THR 38 poor 5 38 - 14 - ~4787=2, 1775/3.2=2...(6) HB2 LEU 73 - QG1 VAL 66 poor 5 39 - 12 - 3.1/6100=3, 3.1/4280=2...(5) HB3 GLN 55 - QG1 VAL 66 lone 5 48 - 10 - 303/4.0=3, 4.5/5472=2...(4) HB3 MET 48 - QG1 VAL 66 lone 3 44 - 8 - 303/4.0=2, 5464/2.1=1 HG2 LYS 78 - QG2 THR 13 lone 2 78 - 3 - HB3 LYS 65 - QG2 THR 38 lone 2 57 - 4 - ~4786=1 HG2 LYS 78 - QG1 VAL 66 lone 2 56 - 4 - HB3 LYS 31 - QG2 THR 13 lone 2 76 - 2 - HB3 ARG 27 - QG2 THR 13 lone 2 71 - 2 - HB3 GLN 55 - QG2 THR 13 lone 2 68 - 2 - HB3 MET 48 - QG2 THR 13 lone 1 63 - 2 - HB3 LYS 31 - QG1 VAL 66 lone 1 54 - 3 - HG2 LYS 78 - QG2 THR 38 lone 1 43 - 2 - HB2 LEU 73 - QG2 THR 38 lone 1 30 - 2 - HB3 MET 48 - QG2 THR 38 lone 1 33 - 2 - HB3 GLN 55 - QG2 THR 38 lone 0 36 - 1 - Peak 6029 from cnoeabs.peaks (2.44, 2.86, 38.54 ppm; 4.22 A): 2 out of 16 assignments used, quality = 0.97: HG3 MET 21 + HB3 ASN 18 OK 82 95 - 87 - 4436=14, 1534/3.5=14...(26) HG3 MET 21 + HB2 ASN 18 OK 82 94 - 87 - 4436=14, 1534/3.5=14...(26) HG3 MET 21 - HB3 ASN 24 OK 39 81 - 48 - 4.0/4159=8, 2.9/4434=7...(11) HG3 GLU 25 - HB3 ASN 24 OK 21 90 - 24 - 602/4.6=13, 4491/3.7=9 HG3 GLU 77 - HB3 ASN 24 OK 16 80 - 21 - 602/4.6=9, 4491/3.7=5...(4) HG3 GLU 77 - HB3 ASN 18 OK 13 93 - 14 - 4331/3.5=3, 1525/4335=1 HG3 GLU 77 - HB2 ASN 18 OK 13 93 - 14 - 4331/3.5=3, 1525/4335=1 HG3 GLU 25 - HB2 ASN 18 lone 7 100 - 7 - 5.0/87=2, 4331/3.5=1 HG3 GLU 25 - HB3 ASN 18 lone 7 100 - 7 - 5.0/87=2, 4331/3.5=1 HB3 ASP 43 - HB3 ASN 24 lone 6 87 - 6 - 4491/3.7=1 HB3 ASP 43 - HB3 ASN 18 lone 4 99 - 4 - HB3 ASP 43 - HB2 ASN 18 lone 4 99 - 4 - HG3 MET 21 - HB2 ASN 90 lone 1 54 - 3 - HG3 GLU 25 - HB2 ASN 90 lone 1 62 - 2 - HG3 GLU 77 - HB2 ASN 90 lone 1 53 - 1 - HB3 ASP 43 - HB2 ASN 90 lone 1 60 - 1 - Peak 6030 from cnoeabs.peaks (1.49, 1.98, 32.46 ppm; 3.41 A): 4 out of 24 assignments used, quality = 0.95: QB ALA 72 + HB2 PRO 19 OK 60 100 - 60 - 5682/4.9=11, 5693/3.5=11...(20) QB ALA 72 + HB3 PRO 19 OK 60 100 - 60 - 5682/4.9=11, 5693/3.5=11...(20) HB2 LYS 56 + HB3 PRO 19 OK 42 99 - 43 - 4378/2.3=4, 4380/2.3=3...(22) HB2 LYS 56 + HB2 PRO 19 OK 42 99 - 43 - 4378/2.3=4, 4380/2.3=3...(22) HG LEU 79 - HB3 PRO 19 OK 33 85 - 39 - ~3413=3, ~3406=3...(20) HG LEU 79 - HB2 PRO 19 OK 33 84 - 39 - ~3413=3, ~3406=3...(20) HG LEU 34 - HB3 PRO 19 OK 29 81 - 36 - 2.1/2098=4, 2091=4...(18) HG LEU 34 - HB2 PRO 19 OK 29 80 - 36 - 2.1/2098=3, 2091=3...(18) QB ALA 71 - HB2 PRO 19 OK 18 67 - 27 - 4.2/5681=3, 3.7/5667=3...(10) QB ALA 71 - HB3 PRO 19 OK 18 68 - 26 - 4.2/5681=3, 3.7/5667=3...(10) HD3 LYS 17 - HB3 PRO 19 OK 13 92 - 15 - 4384/3.5=2, 4380/2.3=1...(4) HD2 LYS 17 - HB3 PRO 19 OK 13 92 - 15 - 4384/3.5=2, 4380/2.3=1...(4) HD3 LYS 17 - HB2 PRO 19 OK 13 91 - 15 - 4384/3.5=2, 4380/2.3=1...(4) HD2 LYS 17 - HB2 PRO 19 OK 13 91 - 15 - 4384/3.5=2, 4380/2.3=1...(4) HB3 LYS 26 - HB3 PRO 19 OK 12 73 - 17 - 4.0/92=1, 3.6/4371=1...(7) HB3 LYS 26 - HB2 PRO 19 OK 12 73 - 17 - 4.0/92=1, 3.6/4371=1...(7) HB2 LEU 85 - HB3 PRO 19 poor 10 85 - 11 - 3.1/4371=1, 4378/2.3=1 HB2 LEU 85 - HB2 PRO 19 poor 10 84 - 11 - 3.1/4371=1, 4378/2.3=1 HG2 GLU 37 - HB3 PRO 19 lone 8 99 - 8 - 2185/2.3=2 HG2 GLU 37 - HB2 PRO 19 lone 8 98 - 8 - 2185/2.3=2 HG3 ARG 27 - HB2 PRO 19 lone 3 73 - 4 - HG3 ARG 27 - HB3 PRO 19 lone 3 73 - 4 - HB2 ARG 45 - HB3 PRO 19 lone 2 92 - 2 - HB2 ARG 45 - HB2 PRO 19 lone 2 91 - 2 - Peak 6031 from cnoeabs.peaks (4.63, 0.77, 26.77 ppm; 5.21 A): 3 out of 11 assignments used, quality = 0.96: HA ARG 27 + QD1 LEU 30 OK 83 98 - 85 - 3.0/4544=17, 3.0/4543=15...(26) HA LYS 31 + QD1 LEU 30 OK 54 60 - 90 - ~3896=24, 3.0/130=20...(30) HA THR 38 + QD1 LEU 30 OK 46 93 - 49 - 3.0/3895=13, 2194/5.0=9...(9) HA ASN 24 - QD1 LEU 30 OK 29 100 - 30 - 4.8/6032=9, 2.9/83=5...(8) HA PHE 57 - QD1 LEU 30 OK 12 68 - 17 - ~5247=4, ~5255=3...(7) HA LEU 12 - QD1 LEU 30 lone 8 85 - 10 - HA ASN 63 - QD1 LEU 30 lone 6 100 - 6 - HA GLU 33 - QD1 LEU 30 lone 5 99 - 5 - HA HIS 42 - QD1 LEU 30 lone 5 99 - 5 - HA ASP 82 - QD1 LEU 30 lone 4 98 - 4 - HA ASP 43 - QD1 LEU 30 lone 3 81 - 4 - Peak 6032 from cnoeabs.peaks (3.91, 0.77, 26.77 ppm; 5.22 A): 4 out of 4 assignments used, quality = 0.89: HA LEU 73 + QD1 LEU 30 OK 63 100 - 63 - 3.0/3180=9, 3.0/3173=9...(18) HA LEU 23 + QD1 LEU 30 OK 53 89 - 59 - 3.0/6078=14, 3.0/6077=9...(17) HA LEU 76 + QD1 LEU 30 OK 26 68 - 38 - 3.6/5808=4, 2.9/6172=4...(14) HA GLU 22 + QD1 LEU 30 OK 13 71 - 18 - 3.6/590=4, 6202/3.1=2...(5) Peak 6033 from cnoeabs.peaks (4.26, 0.77, 26.77 ppm; 4.37 A): 4 out of 7 assignments used, quality = 0.94: HA LYS 78 + QD1 LEU 30 OK 57 100 - 57 - 5813/2.1=8, 3.7/5815=7...(18) HA LEU 87 + QD1 LEU 30 OK 57 87 - 65 - 3.0/6079=8, 2.9/6204=8...(30) HA VAL 52 + QD1 LEU 30 OK 54 97 - 56 - 5115=12, 5116/4585=9...(14) HA ASP 53 + QD1 LEU 30 OK 32 73 - 44 - ~5133=9, 2.9/5134=9...(15) HA ALA 89 - QD1 LEU 30 OK 30 98 - 30 - 3.0/1904=6, ~1897=4...(9) HA LEU 85 - QD1 LEU 30 OK 28 100 - 28 - 3.7/6079=3, 3.0/6079=3...(8) HA3 GLY 39 - QD1 LEU 30 lone 5 97 - 5 - 3.0/4591=2 Peak 6034 from cnoeabs.peaks (2.06, 1.30, 24.47 ppm; 5.39 A): 2 out of 8 assignments used, quality = 0.70: HG3 GLU 33 + HG3 LYS 31 OK 63 100 - 63 - 4664=12, 4665/1.8=11...(17) HA ALA 75 + HG3 LYS 31 OK 20 100 - 20 - ~4603=4, 2.1/6108=3...(7) QE MET 21 - HG3 LYS 31 lone 5 100 - 5 - 4444/2273=1 HB2 GLN 55 - HG3 LYS 31 lone 4 85 - 5 - 4.6/763=1 HG2 GLU 22 - HG3 LYS 31 lone 4 97 - 4 - HG3 GLN 55 - HG3 LYS 31 lone 4 87 - 5 - 4.7/763=1 HB3 GLU 77 - HG3 LYS 31 lone 4 97 - 4 - HB2 MET 21 - HG3 LYS 31 lone 3 100 - 3 - Peak 6035 from cnoeabs.peaks (1.92, 1.42, 41.62 ppm; 3.46 A): 6 out of 10 assignments used, quality = 0.89: QE MET 48 + HB3 LEU 34 OK 63 99 - 64 - 4893/3.0=14, 4867/3.1=14...(13) HG3 GLU 49 + HB3 LEU 34 OK 32 100 - 32 - 4940/4.0=4, 1.8/2084=4...(18) HB2 GLU 33 + HB3 LEU 34 OK 31 85 - 36 - 4.2/664=10, 4640/3.0=5...(10) HB VAL 47 + HB3 LEU 34 OK 18 99 - 19 - 5977/4.2=11, 4839/3.1=3...(4) HB3 GLU 22 + HB3 LEU 34 OK 12 85 - 15 - 4453/3.1=2, ~4450=2...(5) HG3 PRO 84 + HB3 LEU 34 OK 10 71 - 15 - 1.8/2084=2, ~2070=1 HB2 LEU 76 - HB3 LEU 34 poor 8 78 - 10 - ~6114=2, ~4676=2...(5) HD2 LYS 78 - HB3 LEU 34 lone 5 100 - 5 - HG3 PRO 81 - HB3 LEU 34 lone 4 100 - 4 - HB VAL 20 - HB3 LEU 34 lone 3 93 - 4 - Peak 6036 from cnoeabs.peaks (1.94, 1.14, 26.82 ppm; 3.80 A): 5 out of 13 assignments used, quality = 1.00: HG3 GLU 49 + HG12 ILE 35 OK 86 97 - 89 - 1.8/4976=19, 3.0/4986=19...(28) HB VAL 47 + HG12 ILE 35 OK 72 99 - 73 - 4838=21, 5977/4.5=13...(17) HB2 GLN 58 + HG12 ILE 35 OK 64 76 - 85 - 2.9/5278=15, ~4742=15...(24) HB2 GLU 33 + HG12 ILE 35 OK 61 100 - 61 - 4653/2.1=19, ~4655=13...(13) HG3 PRO 84 + HG12 ILE 35 OK 58 97 - 60 - ~4743=8, 3.8/2132=6...(26) QE MET 48 - HG12 ILE 35 OK 43 99 - 44 - 4919/4.5=16, 5.3/4724=12...(11) HG2 PRO 19 - HG12 ILE 35 OK 22 78 - 27 - ~4353=4, 1.8/2133=3...(12) HG3 PRO 81 - HG12 ILE 35 OK 11 87 - 12 - 1.8/2133=1, 3492/5282=1 HD2 LYS 78 - HG12 ILE 35 lone 9 89 - 10 - 3.7/2133=1 HB2 LEU 76 - HG12 ILE 35 lone 6 99 - 6 - HB3 GLU 22 - HG12 ILE 35 lone 6 100 - 6 - HB VAL 20 - HG12 ILE 35 lone 5 100 - 5 - HB2 GLU 77 - HG12 ILE 35 lone 2 81 - 2 - Peak 6037 from cnoeabs.peaks (1.22, 0.82, 20.93 ppm; 4.07 A): 4 out of 16 assignments used, quality = 0.97: HG13 ILE 35 + QG1 VAL 47 OK 81 95 - 86 - 2.1/4837=24, ~4838=18...(28) QD1 LEU 34 + QG1 VAL 47 OK 44 100 - 45 - 4687/3.9=17, 3921/5979=5...(11) HD2 LYS 68 + QG1 VAL 47 OK 42 98 - 43 - 4839/2.1=4, 3.0/3058=3...(21) HD3 LYS 68 + QG1 VAL 47 OK 42 97 - 43 - 4839/2.1=4, 3.0/3058=3...(21) HG13 ILE 35 - QG2 VAL 47 OK 40 49 - 82 - ~4838=18, ~4837=15...(26) HG3 LYS 26 - QG1 VAL 47 OK 28 97 - 29 - 1714/2.1=3, 4823/3.9=2...(12) QD1 LEU 34 - QG2 VAL 47 OK 21 56 - 38 - 4687/3.9=17, 4839/2.1=5...(9) HD2 LYS 68 - QG2 VAL 47 OK 19 52 - 37 - 4839/2.1=4, ~4839=3...(18) HD3 LYS 68 - QG2 VAL 47 OK 19 52 - 37 - 4839/2.1=4, ~4839=3...(18) HG3 LYS 26 - QG2 VAL 47 OK 14 51 - 28 - 4823/3.9=2, 4839/2.1=2...(11) HG2 LYS 17 - QG1 VAL 47 OK 11 78 - 14 - 4687/3.9=3, 4845/4.3=2...(4) HG2 LYS 14 - QG1 VAL 47 lone 8 92 - 9 - ~4841=2, 1714/2.1=1, 4823/3.9=1 QG2 THR 83 - QG1 VAL 47 lone 7 100 - 7 - HG2 LYS 17 - QG2 VAL 47 poor 4 37 - 11 - 4687/3.9=3, 4845/4.3=2 HG2 LYS 14 - QG2 VAL 47 lone 4 46 - 8 - 4823/3.9=1 QG2 THR 83 - QG2 VAL 47 lone 3 55 - 6 - Peak 6038 from cnoeabs.peaks (0.85, 0.26, 21.31 ppm; 3.19 A): 5 out of 9 assignments used, quality = 0.89: QD2 LEU 30 + QG2 VAL 50 OK 70 85 - 83 - 4586=35, 2.1/4585=29...(13) QB ALA 75 + QG2 VAL 50 OK 33 85 - 39 - 6109=11, 5763/2.1=8...(9) HD2 LYS 26 + QG2 VAL 50 OK 30 100 - 30 - 1.8/5023=5, 3.0/6039=4...(12) QD2 LEU 87 + QG2 VAL 50 OK 12 99 - 12 - 4.1/5003=2, 2.1/5023=2 QD2 LEU 73 + QG2 VAL 50 OK 12 97 - 12 - 2.1/6039=2, 3201/4585=2...(4) QD2 LEU 85 - QG2 VAL 50 lone 6 95 - 6 - 2.1/5023=1 QG2 VAL 47 - QG2 VAL 50 lone 4 98 - 4 - ~5006=1 QG2 ILE 35 - QG2 VAL 50 lone 2 68 - 3 - 4714/4649=2 QG1 VAL 47 - QG2 VAL 50 lone 2 63 - 3 - Peak 6039 from cnoeabs.peaks (0.77, 0.26, 21.31 ppm; 3.28 A): 3 out of 8 assignments used, quality = 0.94: QD1 LEU 30 + QG2 VAL 50 OK 87 100 - 87 - 4585=44, 2.1/4586=30...(17) QD1 LEU 23 + QG2 VAL 50 OK 38 78 - 49 - 2.1/4480=23, 4481=15...(10) HG2 LYS 26 + QG2 VAL 50 OK 30 87 - 34 - 3.0/6038=5, 2.9/2498=4...(17) QD1 LEU 73 - QG2 VAL 50 OK 15 97 - 15 - 2.1/6038=2, 1916/4586=2...(8) QG1 VAL 20 - QG2 VAL 50 OK 14 83 - 17 - 4408/5048=6, 4407/4613=2...(4) QD2 LEU 79 - QG2 VAL 50 poor 10 85 - 11 - 5873/4613=1, 6176/4.0=1 QD1 LEU 79 - QG2 VAL 50 lone 5 60 - 9 - 6175/4.0=1, 3411/4481=1 QD1 LEU 12 - QG2 VAL 50 lone 2 83 - 3 - Peak 6040 from cnoeabs.peaks (1.79, 1.39, 28.78 ppm; 5.15 A): 5 out of 17 assignments used, quality = 1.00: HG2 GLU 51 + HD3 LYS 56 OK 83 90 - 92 - 3.9/5234=28, ~5067=13...(35) HG3 GLU 51 + HD3 LYS 56 OK 81 89 - 92 - 3.9/5234=28, ~5067=13...(35) HB2 LYS 44 + HD3 LYS 56 OK 62 76 - 82 - 3.7/2674=8, ~2279=7...(45) HB2 LYS 31 + HD3 LYS 56 OK 51 100 - 51 - 1932=5, 1933/3.0=4...(24) HB2 ARG 27 + HD3 LYS 56 OK 49 90 - 54 - ~5215=4, 1.8/1778=3...(32) HB2 LYS 65 - HD3 LYS 56 OK 44 100 - 44 - ~2948=4, 2922/3.0=4...(17) QB ALA 74 - HD3 LYS 56 OK 37 90 - 41 - 5720/3.0=9, 5720/3.0=8...(13) HB2 MET 48 - HD3 LYS 56 OK 36 100 - 36 - 4777/3.0=4, 4851/3.4=3...(18) HB3 GLU 33 - HD3 LYS 56 OK 30 76 - 40 - 4.2/3997=6, 3.0/5228=3...(20) HG3 GLU 37 - HD3 LYS 56 OK 26 100 - 25 - ~4776=4, 4777/3.0=3...(8) HG LEU 76 - HD3 LYS 56 OK 25 90 - 28 - ~6206=6, ~6207=5...(10) HD3 LYS 78 - HD3 LYS 56 OK 20 99 - 20 - 4093/5.8=4, ~5213=2...(5) HB2 GLU 37 - HD3 LYS 56 OK 16 73 - 22 - ~4776=3, ~4777=2...(7) QE MET 11 - HD3 LYS 56 OK 15 76 - 20 - 4244/3.0=8, 4245/3.0=7 HB2 ARG 28 - HD3 LYS 56 OK 12 100 - 12 - ~5224=2, 4.0/110=2, ~5223=1 HB2 LYS 91 - HD3 LYS 56 lone 10 100 - 9 - HB3 ARG 28 - HD3 LYS 56 poor 8 71 - 11 - ~5224=2, 4.0/110=2, ~5223=1 Peak 6041 from cnoeabs.peaks (1.97, 2.81, 41.78 ppm; 4.45 A): 4 out of 48 assignments used, quality = 0.99: HB2 GLU 51 + HE3 LYS 56 OK 79 100 - 79 - 5064/3.6=16, ~5234=14...(27) HB2 GLU 51 + HE2 LYS 56 OK 78 100 - 79 - 5064/3.6=16, ~5234=14...(27) HB2 LEU 34 + HE3 LYS 56 OK 48 76 - 63 - 2080/3.6=9, ~2673=6...(34) HB2 LEU 34 + HE2 LYS 56 OK 47 75 - 63 - 2080/3.6=9, ~2673=6...(34) HB2 GLU 51 - HB3 PHE 57 OK 42 88 - 48 - ~5085=16, 1.8/5070=7...(11) HB3 PRO 81 - HB3 PHE 57 OK 29 88 - 33 - 2737/4.7=5, 3483/1.8=4...(11) HG2 PRO 19 - HE3 LYS 56 OK 29 96 - 30 - 4373/3.6=8, 4379/4.8=4...(9) HG2 PRO 19 - HE2 LYS 56 OK 29 95 - 30 - 4373/3.6=8, 4379/4.8=4...(9) HB2 LEU 76 - HB3 PHE 57 OK 28 54 - 52 - ~5256=8, ~5769=7...(15) HB2 PRO 19 - HE3 LYS 56 OK 25 99 - 25 - 4370/3.6=4, 5227/3.0=3...(10) HB2 PRO 19 - HE2 LYS 56 OK 25 98 - 25 - 4370/3.6=4, 5227/3.0=3...(10) HB3 PRO 19 - HE3 LYS 56 OK 24 96 - 25 - 4370/3.6=4, 5227/3.0=3...(10) HB3 PRO 19 - HE2 LYS 56 OK 24 95 - 25 - 4370/3.6=4, 5227/3.0=3...(10) HB2 GLN 58 - HB3 PHE 57 OK 21 82 - 26 - 4.0/260=11, ~5275=6...(4) HB2 GLN 58 - HE3 LYS 56 OK 20 97 - 21 - 4.0/260=5, ~5277=2...(10) HB2 GLN 58 - HE2 LYS 56 OK 20 96 - 21 - 4.0/260=5, ~5277=2...(10) HE3 LYS 68 - HE3 LYS 56 OK 17 92 - 18 - 3106/3.6=3, 3107/4.8=2...(6) HE3 LYS 68 - HE2 LYS 56 OK 16 91 - 18 - 3106/3.6=3, 3107/4.8=2...(6) HB2 LYS 78 - HB3 PHE 57 OK 13 63 - 21 - 3297/4.4=8, 5824/5.8=7...(4) HB2 LEU 34 - HB3 PHE 57 OK 13 61 - 22 - 2075/4.0=6, 4667/3.0=4...(6) HB2 GLU 33 - HB3 PHE 57 OK 11 47 - 24 - 3912/4.0=4, 2045/3.0=3...(10) HB2 GLU 33 - HE3 LYS 56 OK 10 60 - 17 - 4.2/3999=2, ~5228=2...(4) HB2 GLU 33 - HE2 LYS 56 OK 10 59 - 17 - 4.2/3998=2, ~5228=2...(4) HB2 LYS 78 - HE3 LYS 56 poor 9 78 - 11 - 4088/7.4=2, 4.4/2689=1...(4) HB2 LYS 78 - HE2 LYS 56 poor 8 77 - 11 - 4088/7.4=2, 4.4/2679=1...(4) HB2 LEU 76 - HE3 LYS 56 poor 8 68 - 12 - 3.1/5258=2, ~5258=1, ~6185=1 HB2 LEU 76 - HE2 LYS 56 poor 8 67 - 12 - 3.1/5258=1, ~5258=1, ~6185=1 HB3 PRO 81 - HE3 LYS 56 lone 7 100 - 6 - HB2 PRO 19 - HB3 PHE 57 lone 6 85 - 8 - HB3 PRO 81 - HE2 LYS 56 lone 6 100 - 6 - HB3 GLU 22 - HE3 LYS 56 poor 6 60 - 11 - 4453/3.6=3, 6120/4.8=1 HB3 GLU 22 - HE2 LYS 56 poor 6 59 - 11 - 4453/3.6=3, 6120/4.8=1 HB3 PRO 19 - HB3 PHE 57 lone 6 81 - 7 - HG2 PRO 19 - HB3 PHE 57 lone 6 81 - 7 - 776/4.7=1 HB2 GLU 77 - HB3 PHE 57 lone 4 80 - 6 - 4083/4.4=3 HB2 GLU 25 - HB3 PHE 57 lone 4 65 - 6 - 1644/5751=2, ~5264=2 HB2 GLU 77 - HE3 LYS 56 lone 4 95 - 4 - HB2 GLU 77 - HE2 LYS 56 lone 4 94 - 4 - HB2 GLU 25 - HE3 LYS 56 lone 3 81 - 4 - HB2 GLU 25 - HE2 LYS 56 lone 3 80 - 4 - HE3 LYS 68 - HB3 PHE 57 lone 3 77 - 4 - HB3 GLU 22 - HB3 PHE 57 lone 2 47 - 5 - HG2 PRO 84 - HE3 LYS 56 lone 2 73 - 3 - HG2 PRO 84 - HE2 LYS 56 lone 2 73 - 3 - HG3 PRO 84 - HB3 PHE 57 lone 2 61 - 4 - 776/4.7=1 HG3 PRO 84 - HE3 LYS 56 lone 2 76 - 3 - HG3 PRO 84 - HE2 LYS 56 lone 2 75 - 3 - HG2 PRO 84 - HB3 PHE 57 lone 1 59 - 2 - Peak 6042 from cnoeabs.peaks (1.67, 2.81, 41.78 ppm; 4.70 A): 3 out of 33 assignments used, quality = 0.96: HB3 GLU 51 + HE3 LYS 56 OK 74 89 - 84 - 5067/3.6=16, ~5234=15...(29) HB3 GLU 51 + HE2 LYS 56 OK 74 88 - 84 - 5067/3.6=16, ~5234=15...(29) HB3 GLU 51 + HB3 PHE 57 OK 41 73 - 57 - ~5085=18, 5090/4.0=9...(12) HG3 ARG 28 - HB3 PHE 57 OK 23 88 - 25 - ~5253=3, 1852/1.8=2...(15) HG2 ARG 28 - HB3 PHE 57 OK 22 87 - 25 - ~5253=3, 1852/1.8=2...(15) HD2 LYS 31 - HE3 LYS 56 OK 22 100 - 21 - 5215/3.6=2, 1972/3.0=2...(8) HD3 LYS 31 - HE3 LYS 56 OK 21 99 - 22 - 5215/3.6=2, 1972/3.0=2...(8) HD2 LYS 31 - HE2 LYS 56 OK 21 99 - 21 - 5215/3.6=2, 1972/3.0=2...(9) HD3 LYS 31 - HE2 LYS 56 OK 21 99 - 22 - 5215/3.6=2, 1972/3.0=2...(9) HB2 LEU 30 - HB3 PHE 57 OK 13 57 - 23 - ~5261=4, ~4671=3...(7) HB3 LEU 73 - HB3 PHE 57 poor 9 87 - 11 - 5750/5751=2, 3177/5720=1...(4) HB2 LEU 30 - HE3 LYS 56 poor 9 71 - 12 - 4581/5005=2 HB2 LEU 30 - HE2 LYS 56 poor 9 70 - 12 - 4581/5005=2 HB3 LEU 73 - HE3 LYS 56 lone 5 100 - 5 - HB3 LEU 73 - HE2 LYS 56 lone 5 99 - 5 - HB3 LYS 91 - HE2 LYS 56 lone 5 80 - 6 - 4.0/430=2 HB3 LYS 91 - HE3 LYS 56 lone 5 81 - 6 - 4.0/430=1 HG3 ARG 28 - HE3 LYS 56 lone 4 100 - 4 - HG3 ARG 28 - HE2 LYS 56 lone 4 100 - 4 - HG2 ARG 28 - HE3 LYS 56 lone 4 99 - 4 - HG2 ARG 28 - HE2 LYS 56 lone 4 99 - 4 - HD2 LYS 31 - HB3 PHE 57 lone 4 87 - 4 - HD3 LYS 31 - HB3 PHE 57 lone 4 86 - 4 - HB3 LYS 91 - HB3 PHE 57 lone 3 65 - 4 - HD2 LYS 91 - HE2 LYS 56 lone 2 59 - 4 - 6.0/430=1 HD2 LYS 91 - HE3 LYS 56 lone 2 60 - 3 - 6.0/430=1 HB3 LYS 14 - HB3 PHE 57 lone 2 68 - 3 - HB2 LYS 14 - HB3 PHE 57 lone 2 68 - 3 - HB2 LYS 14 - HE3 LYS 56 lone 1 83 - 2 - HB3 LYS 14 - HE3 LYS 56 lone 1 83 - 2 - HB2 LYS 14 - HE2 LYS 56 lone 1 82 - 2 - HB3 LYS 14 - HE2 LYS 56 lone 1 82 - 2 - HD2 LYS 91 - HB3 PHE 57 lone 1 47 - 2 - Peak 6043 from cnoeabs.peaks (1.80, 2.81, 41.78 ppm; 3.55 A): 5 out of 45 assignments used, quality = 0.97: HG2 GLU 51 + HE3 LYS 56 OK 52 98 - 53 - 5083/3.6=5, 3.0/5070=5...(26) HG2 GLU 51 + HE2 LYS 56 OK 51 98 - 52 - 5083/3.6=5, 3.0/5070=5...(26) HG3 GLU 51 + HE3 LYS 56 OK 51 97 - 53 - 5083/3.6=5, 3.0/5070=5...(26) HG3 GLU 51 + HE2 LYS 56 OK 51 97 - 52 - 5083/3.6=5, 3.0/5070=5...(26) QB ALA 74 + HB3 PHE 57 OK 45 61 - 73 - 5720=17, 5730/2.5=16...(16) HB2 LYS 44 - HE3 LYS 56 OK 34 90 - 38 - 2259/3.0=4, 5216/3.6=3...(22) HB2 LYS 44 - HE2 LYS 56 OK 34 90 - 38 - 2259/3.0=4, 5216/3.6=3...(22) HG LEU 76 - HB3 PHE 57 OK 34 84 - 40 - ~5256=6, ~4673=5...(13) QB ALA 74 - HE3 LYS 56 OK 26 76 - 34 - 5720=7, 5720/1.8=5...(11) QB ALA 74 - HE2 LYS 56 OK 25 75 - 33 - 5720=6, 5720/1.8=5...(11) HG2 GLU 51 - HB3 PHE 57 OK 20 84 - 24 - 3.9/5056=4, 3.0/5070=3...(9) HG3 GLU 51 - HB3 PHE 57 OK 20 83 - 24 - 3.9/5056=4, 3.0/5070=3...(9) HB2 LYS 31 - HE3 LYS 56 OK 18 96 - 19 - 1932/3.0=3, 1933/3.6=2...(4) HB2 LYS 31 - HE2 LYS 56 OK 18 95 - 19 - 1932/3.0=3, 1933/3.6=2...(4) HB2 ARG 27 - HE3 LYS 56 OK 16 76 - 22 - 1770/3.0=2, 1771/3.0=1...(4) HB2 ARG 27 - HE2 LYS 56 OK 16 75 - 22 - 1770/3.0=2, 1771/3.0=1...(4) HB2 ARG 27 - HB3 PHE 57 OK 15 61 - 25 - 5253/1.8=3, 4669/2.5=2...(13) HD3 LYS 78 - HB3 PHE 57 OK 14 77 - 19 - 3347/4.4=6, 5829/5.8=5...(4) HB2 ARG 28 - HB3 PHE 57 OK 14 81 - 17 - 1828/1.8=2, ~5253=2...(7) HB3 GLU 33 - HB3 PHE 57 OK 12 75 - 16 - 3913/4.0=3, 2051/3.0=2...(6) HB3 GLU 33 - HE3 LYS 56 OK 11 90 - 13 - 4.2/3999=2, 5216/3.6=1 HB3 GLU 33 - HE2 LYS 56 OK 11 90 - 13 - 4.2/3999=2, 5216/3.6=1 HB2 LYS 65 - HE3 LYS 56 OK 11 97 - 12 - 2922/3.6=2, 5216/3.6=1 HB2 LYS 65 - HE2 LYS 56 OK 11 96 - 12 - 2922/3.6=2, 5216/3.6=1 HG LEU 76 - HE3 LYS 56 OK 11 98 - 11 - 6171/3.6=1, 2.1/5258=1, ~5258=1 HG LEU 76 - HE2 LYS 56 OK 11 98 - 11 - 6171/3.6=1, 2.1/5258=1, ~5258=1 HB2 MET 48 - HE3 LYS 56 poor 10 100 - 10 - 4777/3.6=2 HB2 MET 48 - HE2 LYS 56 lone 10 99 - 10 - 4777/3.6=2 HG3 GLU 37 - HE3 LYS 56 lone 6 97 - 7 - 4777/3.6=1 HG3 GLU 37 - HE2 LYS 56 lone 6 96 - 7 - 4777/3.6=1 HB2 LYS 31 - HB3 PHE 57 lone 6 81 - 8 - 4604/5005=1 HB2 MET 48 - HB3 PHE 57 lone 6 87 - 6 - 5265/4.7=1 HD3 LYS 78 - HE3 LYS 56 lone 5 92 - 6 - HD3 LYS 78 - HE2 LYS 56 lone 5 91 - 6 - HB2 LYS 65 - HB3 PHE 57 lone 5 82 - 6 - ~5190=1 HB2 GLU 37 - HE3 LYS 56 lone 4 89 - 5 - HB2 GLU 37 - HE2 LYS 56 lone 4 88 - 5 - HG3 GLU 37 - HB3 PHE 57 lone 4 82 - 5 - HB2 LYS 91 - HE2 LYS 56 lone 4 99 - 4 - HB2 LYS 91 - HE3 LYS 56 lone 4 99 - 4 - HB2 LYS 44 - HB3 PHE 57 lone 3 75 - 4 - HB2 ARG 28 - HE3 LYS 56 lone 3 96 - 3 - HB2 ARG 28 - HE2 LYS 56 lone 3 95 - 3 - HB2 LYS 91 - HB3 PHE 57 lone 2 87 - 3 - HB2 GLU 37 - HB3 PHE 57 lone 2 73 - 3 - Peak 6044 from cnoeabs.peaks (1.82, 2.27, 33.72 ppm; 3.92 A): 4 out of 11 assignments used, quality = 0.75: HB2 GLU 49 + HG3 GLN 58 OK 62 68 - 91 - 3.0/5294=27, ~4973=18...(23) HB3 GLU 33 + HG3 GLN 58 OK 14 100 - 14 - 4655/5285=4, ~5286=2...(4) HB2 LYS 44 + HG3 GLN 58 OK 12 100 - 12 - ~5305=1, 2.9/5283=1...(5) HB2 GLU 22 + HG3 GLN 58 OK 12 76 - 16 - 1554/3.5=2, 4.0/2767=2...(7) HG LEU 76 - HG3 GLN 58 lone 8 96 - 8 - ~5288=2 HB2 MET 48 - HG3 GLN 58 lone 4 68 - 7 - 4911/4009=3 HG3 GLU 51 - HG3 GLN 58 lone 4 97 - 4 - HG2 GLU 51 - HG3 GLN 58 lone 4 96 - 4 - HB VAL 66 - HG3 GLN 58 lone 4 76 - 5 - 2.1/5282=2, ~5278=2 HB2 GLU 37 - HG3 GLN 58 lone 3 100 - 3 - HB2 LYS 91 - HG3 GLN 58 lone 2 65 - 3 - Peak 6045 from cnoeabs.peaks (3.96, 4.45, 44.69 ppm; 4.32 A): 1 out of 8 assignments used, quality = 0.92: HA ALA 71 + HA3 GLY 59 OK 92 100 - 93 - 5650=34, 5626/3.0=31...(15) HA ALA 72 - HA3 GLY 59 OK 21 100 - 21 - 5318/3.0=5, 849/5649=4...(9) HA3 GLY 16 - HA3 GLY 59 OK 20 97 - 21 - 3.6/551=6, 3.0/4011=4...(6) HA PRO 19 - HA3 GLY 59 lone 5 68 - 8 - 5318/3.0=3, 5272/5333=1 HA GLU 25 - HA3 GLY 59 lone 4 97 - 5 - 5318/3.0=1 HA LEU 76 - HA3 GLY 59 lone 4 81 - 5 - 5318/3.0=1 HB3 SER 62 - HA3 GLY 59 lone 2 63 - 3 - 4.3/5396=1 HA LEU 23 - HA3 GLY 59 lone 2 57 - 3 - Peak 6046 from cnoeabs.peaks (1.37, 6.08, 49.56 ppm; 3.54 A): 4 out of 11 assignments used, quality = 0.86: QB ALA 67 + HA ALA 60 OK 79 100 - 79 - 5495=44, 2.1/5487=27...(13) HG2 LYS 68 + HA ALA 60 OK 16 99 - 16 - 4844/4900=2, 2.9/2777=2...(7) QB ALA 69 + HA ALA 60 OK 12 97 - 13 - 5371/3.6=3, 3.6/2775=3...(5) HB2 LYS 64 + HA ALA 60 OK 10 95 - 11 - 5371/3.6=2, 3019/5487=2...(4) HG2 LYS 44 - HA ALA 60 lone 8 100 - 8 - 5371/3.6=1, 2283/2.1=1 HB3 LYS 56 - HA ALA 60 lone 4 100 - 4 - HB3 LEU 12 - HA ALA 60 lone 3 100 - 3 - HD3 LYS 56 - HA ALA 60 lone 2 87 - 2 - HG2 LYS 91 - HA ALA 60 lone 1 73 - 2 - HG3 LYS 91 - HA ALA 60 lone 1 73 - 2 - QB ALA 89 - HA ALA 60 lone 1 85 - 1 - Peak 6047 from cnoeabs.peaks (0.72, 1.29, 32.10 ppm; 3.67 A): 7 out of 7 assignments used, quality = 0.95: QG2 VAL 20 + HB3 LYS 68 OK 64 95 - 68 - 4403/3.0=14, 6203/4.3=11...(20) QD1 LEU 79 + HB3 LYS 68 OK 42 83 - 51 - 2.1/3048=6, 5543/1.8=5...(25) QG1 VAL 20 + HB3 LYS 68 OK 34 60 - 57 - ~4403=11, 5543/1.8=5...(20) QD2 LEU 76 + HB3 LYS 68 OK 26 100 - 26 - 6114/3.5=4, 6114/3.5=4...(7) QD1 LEU 12 + HB3 LYS 68 OK 25 60 - 42 - 5543/1.8=4, 3.1/3045=4...(21) HG3 LYS 64 + HB3 LYS 68 OK 24 97 - 25 - 2859/2.9=2, 3.0/3047=2...(11) QG1 VAL 50 + HB3 LYS 68 OK 10 83 - 12 - 5036/5524=5, ~5006=2 Peak 6048 from cnoeabs.peaks (4.00, 0.88, 26.00 ppm; 3.53 A): 5 out of 7 assignments used, quality = 0.73: HA LEU 79 + QD1 LEU 76 OK 39 97 - 40 - 3382/2.1=6, 3381/3.1=4...(17) HA PRO 19 + QD1 LEU 76 OK 33 99 - 34 - 4365=16, 2.3/4371=4...(8) HD2 PRO 19 + QD1 LEU 76 OK 14 63 - 23 - 3.6/4365=7, 3.0/4371=3...(6) HA ALA 71 + QD1 LEU 76 OK 13 60 - 22 - ~5662=5, 2.1/5660=3...(6) HA GLU 25 + QD1 LEU 76 OK 11 76 - 15 - ~5779=2, 3.0/4503=2...(6) HA3 GLY 16 - QD1 LEU 76 lone 5 76 - 6 - HB3 SER 62 - QD1 LEU 76 lone 2 99 - 2 - Peak 6049 from cnoeabs.peaks (4.41, 3.87, 58.49 ppm; 4.21 A): 0 out of 4 assignments used, low quality = 0.41: HA PRO 81 - HA GLU 77 OK 25 100 - 25 - 5918=16, 2.3/3259=2...(5) HA GLN 55 - HA GLU 77 OK 13 99 - 13 - 5199/3.6=6 HA TYR 70 - HA GLU 77 OK 10 95 - 11 - 3.0/329=3, 3.6/1063=3 HA ARG 28 - HA GLU 77 lone 8 100 - 8 - 3.6/631=2, 3882/1076=1 Peak 6050 from cnoeabs.peaks (3.93, 7.20, 132.93 ppm; 5.01 A): 2 out of 4 assignments used, quality = 0.98: HA LEU 76 + QD PHE 80 OK 93 99 - 94 - 5774/2.2=29, 6111/2.5=28...(25) HA LEU 23 + QD PHE 80 OK 70 100 - 70 - 3.9/4483=19, 4711/2.2=14...(18) HA ALA 72 - QD PHE 80 OK 25 65 - 39 - 4711/2.2=6, 5883/2.5=6...(10) HA LEU 73 - QD PHE 80 OK 16 77 - 21 - 4221/4714=3, 5893/2.2=3...(7) Peak 6051 from cnoeabs.peaks (8.53, 5.04, 61.28 ppm; 5.55 A): 3 out of 3 assignments used, quality = 0.96: H GLY 61 + HA VAL 47 OK 90 100 - 90 - 3.6/5981=45, 3.6/5350=36...(11) H ASP 82 + HA VAL 47 OK 39 97 - 40 - 5924=14, 4902/3.5=6...(16) H LEU 76 + HA VAL 47 OK 36 95 - 38 - 3.0/5789=12, 4902/3.5=6...(16) Peak 6052 from cnoeabs.peaks (5.29, 4.66, 55.29 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.91: HA GLU 51 + HA LYS 56 OK 91 100 - 91 - 5073=27, 3.6/6054=25...(22) Peak 6053 from cnoeabs.peaks (5.29, 1.28, 25.28 ppm; 4.81 A): 1 out of 3 assignments used, quality = 0.97: HA GLU 51 + HG3 LYS 56 OK 97 100 - 97 - 5229/1.8=43, 6052/4.0=33...(26) HA GLU 51 - HG3 LYS 17 OK 18 59 - 30 - 5243/4.9=4, 5229/2644=3...(12) HA GLU 51 - HG3 LYS 65 OK 15 90 - 16 - 3.0/5066=2, 5229/2653=1...(5) Peak 6054 from cnoeabs.peaks (9.38, 4.66, 55.29 ppm; 4.00 A): 1 out of 1 assignment used, quality = 0.76: H VAL 52 + HA LYS 56 OK 76 100 - 76 - 3.6/6052=27, 5111=25...(14) Peak 6055 from cnoeabs.peaks (4.82, 5.16, 56.57 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.72: HA GLU 37 + HA PHE 46 OK 72 100 - 72 - 6057=45, 3.6/6058=20...(6) Peak 6056 from cnoeabs.peaks (4.81, 2.59, 41.46 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.64: HA GLU 37 + HB2 PHE 46 OK 64 98 - 66 - 6057/3.0=43, 5268/4.2=17...(7) Peak 6057 from cnoeabs.peaks (5.16, 4.82, 54.87 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.76: HA PHE 46 + HA GLU 37 OK 76 100 - 76 - 6055=50, 6058/3.6=22...(6) Peak 6059 from cnoeabs.peaks (9.44, 4.97, 54.95 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.99: H GLU 49 + HA LEU 34 OK 92 99 - 93 - 4931=50, 3.6/4876=40...(21) H GLU 33 + HA LEU 34 OK 81 100 - 82 - 148/3.0=21, 4644/4876=15...(22) Peak 6060 from cnoeabs.peaks (7.55, 4.97, 54.95 ppm; 4.27 A): 3 out of 5 assignments used, quality = 0.89: H SER 36 + HA LEU 34 OK 79 95 - 84 - 161/3.6=33, 4753=28...(12) H LYS 44 + HA LEU 34 OK 34 76 - 45 - 973/3.6=9, 4684/4.0=6...(16) HE22 GLN 55 + HA LEU 34 OK 18 96 - 19 - 4694/4.3=3, 973/3.6=3...(7) H ASN 63 - HA LEU 34 lone 5 65 - 8 - 5395/4.0=3, 4694/4.3=2 H ALA 69 - HA LEU 34 lone 2 63 - 4 - Peak 6061 from cnoeabs.peaks (4.75, 4.95, 56.76 ppm; 3.58 A): 1 out of 1 assignment used, quality = 0.76: HA VAL 50 + HA TYR 32 OK 76 100 - 76 - 3.2/5002=22, 6062/3.6=21...(11) Peak 6063 from cnoeabs.peaks (8.06, 4.95, 56.76 ppm; 4.79 A): 2 out of 2 assignments used, quality = 0.93: H GLU 51 + HA TYR 32 OK 91 100 - 91 - 5054=50, 3.6/6061=39...(8) H THR 83 + HA TYR 32 OK 17 98 - 17 - 4639/3.6=5, 3971/5002=3...(5) Peak 6064 from cnoeabs.peaks (4.36, 3.72, 44.13 ppm; 3.85 A): 0 out of 5 assignments used, low quality = 0.22: HA LYS 44 - HA2 GLY 39 OK 22 87 - 26 - 4795=17, 4804/3.0=5, 4804/3.5=5 HA ILE 35 - HA2 GLY 39 lone 2 100 - 2 - HA THR 13 - HA2 GLY 39 lone 2 81 - 2 - HA PRO 84 - HA2 GLY 39 lone 1 96 - 1 - HA ARG 45 - HA2 GLY 39 lone 1 100 - 1 - Peak 6071 from cnoeabs.peaks (7.59, 2.86, 38.54 ppm; 5.42 A): 5 out of 20 assignments used, quality = 1.00: H VAL 20 + HB3 ASN 18 OK 85 100 - 85 - 4387/3.0=35, 57/4.8=22...(18) H VAL 20 + HB2 ASN 18 OK 85 100 - 85 - 4387/3.0=35, 57/4.8=22...(18) H LYS 17 + HB3 ASN 18 OK 56 99 - 57 - 4.7/1431=13, 3.0/4339=11...(14) H LYS 17 + HB2 ASN 18 OK 56 99 - 57 - 4.7/1431=13, 3.0/4339=11...(14) HD21 ASN 63 + HB3 ASN 24 OK 53 88 - 61 - 3.5/2808=12, 460/1.8=11...(10) HD21 ASN 63 - HB3 ASN 18 OK 40 99 - 40 - 3830/4.8=5, 461=5...(11) HD21 ASN 63 - HB2 ASN 18 OK 40 99 - 40 - 3830/4.8=5, 461/1.8=5...(11) H VAL 20 - HB3 ASN 24 OK 28 89 - 31 - 4.6/4429=9, 4.0/4394=7...(8) H LYS 44 - HB2 ASN 18 OK 15 87 - 18 - 6065/3.5=3, 4794/4159=2...(6) H LYS 44 - HB3 ASN 18 OK 15 87 - 18 - 6065/3.5=3, 4794/4159=2...(6) H LYS 17 - HB3 ASN 24 OK 13 87 - 15 - 3.0/4339=2, 4.7/1431=2 H LYS 44 - HB3 ASN 24 poor 8 73 - 10 - 4794/4159=3 H LYS 44 - HB2 ASN 90 lone 4 50 - 9 - ~2255=6 H LYS 17 - HB2 ASN 90 lone 3 62 - 4 - H VAL 20 - HB2 ASN 90 lone 2 64 - 4 - H SER 36 - HB2 ASN 18 lone 2 63 - 3 - H SER 36 - HB3 ASN 18 lone 2 63 - 3 - HD21 ASN 63 - HB2 ASN 90 lone 2 63 - 3 - H SER 36 - HB3 ASN 24 lone 2 51 - 3 - H SER 36 - HB2 ASN 90 lone 1 34 - 2 - Peak 6072 from cnoeabs.peaks (1.94, 2.63, 32.07 ppm; 4.42 A): 6 out of 13 assignments used, quality = 0.94: HB VAL 20 + HG2 MET 21 OK 61 100 - 62 - 4.4/575=22, 2.1/4438=10...(12) HB2 GLU 77 + HG2 MET 21 OK 49 78 - 63 - 3.0/1532=9, 6073/1.8=8...(23) HB3 GLU 22 + HG2 MET 21 OK 41 99 - 42 - 4.0/3844=13, 6073/1.8=7...(14) HB2 LEU 76 + HG2 MET 21 OK 22 98 - 22 - 6073/1.8=4, 3.1/4438=3...(9) HB2 GLU 33 + HG2 MET 21 OK 18 99 - 18 - 6073/1.8=3, 2049/2.9=3...(6) HG2 PRO 19 + HG2 MET 21 OK 12 76 - 16 - 4.9/4423=6, 61/4.9=2...(6) QE MET 48 - HG2 MET 21 lone 6 99 - 6 - HG3 PRO 81 - HG2 MET 21 lone 6 89 - 6 - 61/4.9=2 HB2 GLN 58 - HG2 MET 21 lone 6 73 - 8 - 4.6/3844=2, 3838/4.9=1 HG3 PRO 84 - HG2 MET 21 lone 5 96 - 5 - HG3 GLU 49 - HG2 MET 21 lone 4 97 - 4 - HD2 LYS 78 - HG2 MET 21 lone 3 90 - 4 - HB VAL 47 - HG2 MET 21 lone 3 99 - 3 - Peak 6073 from cnoeabs.peaks (1.94, 2.46, 32.07 ppm; 4.38 A): 6 out of 13 assignments used, quality = 0.94: HB VAL 20 + HG3 MET 21 OK 58 100 - 58 - 4.4/1534=15, 2.1/4437=10...(11) HB2 GLU 77 + HG3 MET 21 OK 51 78 - 66 - 6072/1.8=8, 1.8/3274=7...(23) HB3 GLU 22 + HG3 MET 21 OK 43 99 - 43 - 4.0/3845=12, 6072/1.8=7...(15) HB2 LEU 76 + HG3 MET 21 OK 25 98 - 26 - 4.6/879=5, 6072/1.8=4...(10) HB2 GLU 33 + HG3 MET 21 OK 18 99 - 18 - 6072/1.8=3, 2049/2.9=3...(6) HG2 PRO 19 + HG3 MET 21 OK 12 76 - 15 - 4.9/4425=7, 61/4.9=2...(4) QE MET 48 - HG3 MET 21 lone 6 99 - 6 - HG3 PRO 81 - HG3 MET 21 lone 6 89 - 6 - 61/4.9=2 HB2 GLN 58 - HG3 MET 21 lone 6 73 - 7 - 4.6/3845=2, 3838/4.9=1 HD2 LYS 78 - HG3 MET 21 lone 5 90 - 6 - 6.2/368=3 HG3 PRO 84 - HG3 MET 21 lone 5 96 - 5 - HG3 GLU 49 - HG3 MET 21 lone 3 97 - 3 - HB VAL 47 - HG3 MET 21 lone 3 99 - 3 - Peak 6074 from cnoeabs.peaks (0.93, 1.70, 32.72 ppm; 4.54 A): 2 out of 3 assignments used, quality = 0.98: QG2 VAL 52 + HB3 ARG 27 OK 86 100 - 86 - 6075/1.8=17, 4547/2.9=16...(25) QG1 VAL 52 + HB3 ARG 27 OK 84 98 - 86 - 6075/1.8=16, 4547/2.9=16...(25) QD2 LEU 23 - HB3 ARG 27 OK 38 78 - 48 - 2.1/4544=8, 6075/1.8=7...(12) Peak 6075 from cnoeabs.peaks (0.93, 1.77, 32.72 ppm; 4.49 A): 2 out of 3 assignments used, quality = 0.98: QG2 VAL 52 + HB2 ARG 27 OK 86 100 - 86 - 6074/1.8=16, 4547/2.9=15...(24) QG1 VAL 52 + HB2 ARG 27 OK 84 98 - 86 - 6074/1.8=16, 4547/2.9=15...(24) QD2 LEU 23 - HB2 ARG 27 OK 36 78 - 45 - 6074/1.8=7, 2.1/4479=7...(11) Peak 6076 from cnoeabs.peaks (0.92, 1.52, 26.70 ppm; 3.74 A): 4 out of 5 assignments used, quality = 0.95: QG2 VAL 52 + HG3 ARG 27 OK 68 90 - 75 - 4547/1.8=9, ~4547=9...(25) QG1 VAL 52 + HG3 ARG 27 OK 60 81 - 75 - 5130/1.8=10, ~4547=9...(25) HB3 LEU 30 + HG3 ARG 27 OK 44 71 - 62 - 1.8/1793=6, ~4548=4...(32) QD2 LEU 23 + HG3 ARG 27 OK 35 97 - 36 - ~4548=5, 4549/3.0=4...(13) HD3 LYS 26 - HG3 ARG 27 OK 20 71 - 29 - 103/4.9=3, 1.8/1721=3...(14) Peak 6077 from cnoeabs.peaks (2.02, 0.77, 26.77 ppm; 5.62 A): 4 out of 10 assignments used, quality = 0.95: HB2 LEU 23 + QD1 LEU 30 OK 76 100 - 76 - 1.8/6078=19, 3.0/6032=13...(29) HB2 LYS 78 + QD1 LEU 30 OK 59 81 - 73 - 2.8/5815=10, 1.8/6116=10...(18) HB2 GLN 55 + QD1 LEU 30 OK 30 78 - 38 - ~4587=7, 2.9/5182=5...(12) HG3 GLN 55 + QD1 LEU 30 OK 30 76 - 39 - ~4587=9, 5182=5...(12) HB2 GLU 25 - QD1 LEU 30 OK 17 78 - 21 - 4.1/4504=5, 4.6/607=4...(5) HB3 GLU 49 - QD1 LEU 30 OK 17 100 - 17 - 4.3/4592=7, 3965/5134=1 HE3 LYS 68 - QD1 LEU 30 OK 14 63 - 22 - 5568/4593=8, 3.0/6078=3...(5) HG2 GLU 49 - QD1 LEU 30 OK 12 100 - 12 - 3966/4592=2, 3966/5134=1 HB2 LEU 34 - QD1 LEU 30 poor 9 83 - 11 - ~4676=2 HG2 PRO 84 - QD1 LEU 30 lone 5 85 - 6 - Peak 6078 from cnoeabs.peaks (1.25, 0.77, 26.77 ppm; 5.12 A): 5 out of 8 assignments used, quality = 0.86: HB3 LEU 23 + QD1 LEU 30 OK 65 95 - 69 - 3.0/6032=11, 1.8/6077=10...(21) HB2 LEU 79 + QD1 LEU 30 OK 43 100 - 43 - 4.0/6204=7, 5839/3.1=4...(14) HD3 LYS 68 + QD1 LEU 30 OK 11 83 - 13 - 5530/4593=4, 3.5/6079=2 HD2 LYS 68 + QD1 LEU 30 OK 11 81 - 13 - 5530/4593=4, 3.5/6079=2 HG2 LYS 17 + QD1 LEU 30 OK 10 99 - 10 - HG3 LYS 65 - QD1 LEU 30 lone 8 89 - 9 - 3.7/5456=2 HG3 LYS 17 - QD1 LEU 30 lone 6 73 - 9 - ~4676=1 HG13 ILE 35 - QD1 LEU 30 lone 4 89 - 5 - Peak 6079 from cnoeabs.peaks (1.61, 0.77, 26.77 ppm; 3.54 A): 4 out of 10 assignments used, quality = 0.93: HB2 LEU 87 + QD1 LEU 30 OK 54 92 - 59 - 1.8/1908=7, 3.0/1905=5...(28) HG LEU 73 + QD1 LEU 30 OK 50 100 - 50 - 2.1/3201=6, 3.0/3180=5...(24) HG LEU 87 + QD1 LEU 30 OK 50 100 - 50 - 3.0/1908=5, 2.1/1907=5...(29) HG LEU 23 + QD1 LEU 30 OK 43 100 - 43 - 3.0/6078=6, 2.1/1907=5...(19) HG LEU 85 - QD1 LEU 30 OK 25 98 - 25 - 2.1/1907=2, 3.7/6033=2...(6) HB3 LEU 85 - QD1 LEU 30 OK 19 76 - 25 - 3.0/6033=2, 1.8/1908=2...(6) HB2 LYS 68 - QD1 LEU 30 OK 11 97 - 11 - 5522/4593=4 HB2 LEU 12 - QD1 LEU 30 lone 5 92 - 6 - HD3 LYS 91 - QD1 LEU 30 lone 2 76 - 3 - HD2 LYS 91 - QD1 LEU 30 lone 2 73 - 3 - Peak 6080 from cnoeabs.peaks (2.23, 0.82, 17.07 ppm; 5.18 A): 3 out of 6 assignments used, quality = 0.97: HG2 GLU 33 + QG2 ILE 35 OK 79 97 - 81 - 4658/3.1=25, ~4662=21...(13) HB2 PRO 84 + QG2 ILE 35 OK 65 73 - 89 - 2.3/2125=12, ~3550=12...(38) HE2 LYS 68 + QG2 ILE 35 OK 59 100 - 60 - 3.0/2129=8, 3.0/2129=8...(24) HG3 MET 11 - QG2 ILE 35 OK 16 85 - 19 - 6165/3.2=2, 4743/3.1=2...(5) HG2 GLU 77 - QG2 ILE 35 lone 9 96 - 9 - 2048/4654=2, 659/4714=1...(4) HG2 GLU 25 - QG2 ILE 35 lone 6 93 - 6 - Peak 6081 from cnoeabs.peaks (4.69, 1.54, 32.30 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.63: HA LYS 56 + HB3 LYS 44 OK 43 65 - 66 - 3.0/2270=9, 4.0/2273=9...(22) HA ASN 90 + HB3 LYS 44 OK 36 85 - 42 - 3.0/2275=10, ~2285=7...(8) HA SER 62 - HB3 LYS 44 lone 6 78 - 7 - 3.0/5390=3 Peak 6082 from cnoeabs.peaks (3.28, 2.55, 41.46 ppm; 5.52 A): 1 out of 1 assignment used, quality = 0.78: HA LYS 64 + HB3 PHE 46 OK 78 100 - 78 - 5427=24, 5415/2.4=23...(15) Peak 6083 from cnoeabs.peaks (3.27, 2.59, 41.46 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.66: HA LYS 64 + HB2 PHE 46 OK 66 96 - 70 - 5415/2.4=25, 5427/1.8=23...(9) Peak 6084 from cnoeabs.peaks (1.35, 2.55, 41.46 ppm; 4.26 A): 4 out of 11 assignments used, quality = 0.94: HB2 LYS 64 + HB3 PHE 46 OK 72 99 - 72 - 3.0/6082=20, ~6083=13...(12) QB ALA 67 + HB3 PHE 46 OK 58 92 - 63 - 5488/2.4=18, 5504=12...(14) HG2 LYS 44 + HB3 PHE 46 OK 32 93 - 35 - 4797/4.4=7, ~4634=5...(10) HG2 LYS 68 + HB3 PHE 46 OK 29 96 - 31 - ~4820=4, 4.9/5537=4...(13) HB3 LYS 56 - HB3 PHE 46 OK 12 78 - 16 - ~4635=2, ~5968=2...(7) HB3 LEU 12 - HB3 PHE 46 poor 10 83 - 12 - ~4256=3 QB ALA 69 - HB3 PHE 46 lone 4 60 - 7 - 5393/5391=1 QB ALA 89 - HB3 PHE 46 lone 3 100 - 3 - HG2 LYS 91 - HB3 PHE 46 lone 3 100 - 3 - HG3 LYS 91 - HB3 PHE 46 lone 3 100 - 3 - QB ALA 86 - HB3 PHE 46 lone 2 92 - 2 - Peak 6085 from cnoeabs.peaks (0.71, 2.55, 41.46 ppm; 5.39 A): 2 out of 5 assignments used, quality = 0.96: HG3 LYS 64 + HB3 PHE 46 OK 92 100 - 93 - 4.1/6082=28, 5437=25...(16) QD2 LEU 76 + HB3 PHE 46 OK 46 100 - 46 - 5787/2.4=15, 4.8/6194=7...(14) QG1 VAL 50 - HB3 PHE 46 OK 17 93 - 19 - 4735/2.4=5, 5039/4.4=4...(5) QD1 LEU 79 - HB3 PHE 46 OK 13 68 - 19 - ~5857=4, ~5862=4...(5) QG2 VAL 20 - HB3 PHE 46 poor 9 85 - 10 - 4411/5537=2, 6203/5391=1 Peak 6086 from cnoeabs.peaks (1.37, 1.68, 31.04 ppm; 5.67 A): 3 out of 11 assignments used, quality = 1.00: HB3 LYS 56 + HB3 GLU 51 OK 98 99 - 99 - 5230/3.0=31, ~6052=29...(36) HD3 LYS 56 + HB3 GLU 51 OK 77 78 - 98 - 5234/3.0=29, ~5229=27...(37) HG2 LYS 44 + HB3 GLU 51 OK 50 100 - 51 - 3.0/5066=6, 6088/1.8=5...(21) HG2 LYS 91 - HB3 GLU 51 OK 31 83 - 37 - 6088/1.8=3, 5058/3.0=3...(22) HG3 LYS 91 - HB3 GLU 51 OK 31 83 - 37 - 6088/1.8=3, 5058/3.0=3...(22) HG2 LYS 68 - HB3 GLU 51 OK 24 100 - 24 - 2.9/5066=3, 6088/1.8=3...(9) QB ALA 69 - HB3 GLU 51 OK 16 93 - 17 - 3.6/5088=4, 6088/1.8=1...(6) HB2 LYS 64 - HB3 GLU 51 OK 13 98 - 14 - ~5062=3, 5058/3.0=2, 6088/1.8=2 QB ALA 67 - HB3 GLU 51 OK 11 100 - 11 - 6088/1.8=1, 5058/3.0=1 QB ALA 89 - HB3 GLU 51 lone 9 92 - 9 - 3.6/5088=4 HB3 LEU 12 - HB3 GLU 51 lone 8 100 - 7 - Peak 6087 from cnoeabs.peaks (1.53, 1.97, 31.04 ppm; 5.78 A): 3 out of 15 assignments used, quality = 1.00: HD2 LYS 56 + HB2 GLU 51 OK 98 100 - 99 - ~5234=30, ~5229=28...(38) HB2 LYS 56 + HB2 GLU 51 OK 67 68 - 99 - ~6052=30, ~5229=28...(33) HG LEU 34 + HB2 GLU 51 OK 48 96 - 51 - 2.1/5064=13, ~5067=11...(14) HG LEU 30 - HB2 GLU 51 OK 39 95 - 42 - 4583/5065=12, 5112/4.6=4...(15) HB3 LYS 44 - HB2 GLU 51 OK 39 93 - 42 - 2.9/6088=5, 2268/3.0=4...(17) QB ALA 71 - HB2 GLU 51 OK 32 99 - 33 - 5663/5065=14, 5057/3.0=3...(8) HG3 ARG 27 - HB2 GLU 51 OK 21 98 - 22 - 5112/4.6=4, 5057/3.0=2...(9) HD3 LYS 17 - HB2 GLU 51 OK 17 87 - 20 - ~6053=4, ~5066=2...(6) HD2 LYS 17 - HB2 GLU 51 OK 17 87 - 20 - ~6053=4, ~5066=2...(6) HD3 LYS 64 - HB2 GLU 51 OK 16 100 - 16 - ~5062=3, 5057/3.0=2...(4) HB3 LYS 26 - HB2 GLU 51 OK 13 98 - 13 - 5057/3.0=2, ~5059=1...(4) HB3 LEU 87 - HB2 GLU 51 OK 12 100 - 12 - 5112/4.6=2, 5057/3.0=2, ~5072=2 HG2 GLU 37 - HB2 GLU 51 poor 8 71 - 11 - 4776/5064=1 HB2 LEU 85 - HB2 GLU 51 lone 7 93 - 8 - ~5072=1 HB2 ARG 45 - HB2 GLU 51 lone 4 87 - 4 - Peak 6088 from cnoeabs.peaks (1.37, 1.97, 31.04 ppm; 5.97 A): 3 out of 11 assignments used, quality = 1.00: HB3 LYS 56 + HB2 GLU 51 OK 98 99 - 99 - 5230/3.0=34, ~6052=32...(35) HD3 LYS 56 + HB2 GLU 51 OK 77 78 - 99 - 5234/3.0=32, ~5229=30...(37) HG2 LYS 44 + HB2 GLU 51 OK 52 100 - 52 - 6086/1.8=6, 5058/3.0=5...(20) HG2 LYS 91 - HB2 GLU 51 OK 32 83 - 38 - 6086/1.8=4, ~6086=3...(22) HG3 LYS 91 - HB2 GLU 51 OK 32 83 - 38 - 6086/1.8=4, ~6086=3...(22) HG2 LYS 68 - HB2 GLU 51 OK 25 100 - 25 - 6086/1.8=3, ~5066=3...(12) HB2 LYS 64 - HB2 GLU 51 OK 15 98 - 16 - ~5062=4, 5058/3.0=3...(4) QB ALA 69 - HB2 GLU 51 OK 13 93 - 14 - 6086/1.8=2, ~5578=1...(4) QB ALA 67 - HB2 GLU 51 OK 11 100 - 11 - 6086/1.8=1, 5507/5064=1 HB3 LEU 12 - HB2 GLU 51 lone 8 100 - 8 - 5058/3.0=1 QB ALA 89 - HB2 GLU 51 lone 6 92 - 6 - 6086/1.8=1 Peak 6089 from cnoeabs.peaks (7.15, 2.16, 33.84 ppm; 4.10 A): 2 out of 8 assignments used, quality = 0.94: QD PHE 57 + HB VAL 52 OK 77 99 - 78 - 4650/4.0=22, 4667=17...(17) QD PHE 57 + HG2 GLN 55 OK 74 95 - 78 - 2.2/4658=20, 4667=16...(19) H MET 21 - HG2 GLN 55 OK 30 61 - 49 - 3.0/1509=9, 574=8...(16) H MET 21 - HB VAL 52 OK 12 65 - 18 - 3.0/1509=3, 574=3...(9) HD22 ASN 18 - HG2 GLN 55 poor 10 63 - 15 - 5.7/4320=2, 5190/2.9=2...(5) HD22 ASN 18 - HB VAL 52 lone 4 68 - 6 - 5.7/4320=2 HD2 HIS 15 - HB VAL 52 lone 4 89 - 4 - HD2 HIS 15 - HG2 GLN 55 lone 3 84 - 4 - Peak 6090 from cnoeabs.peaks (0.86, 2.16, 33.84 ppm; 4.02 A): 7 out of 16 assignments used, quality = 0.85: QD2 LEU 30 + HB VAL 52 OK 41 97 - 42 - 4587=12, ~6200=9...(9) QB ALA 75 + HG2 GLN 55 OK 34 93 - 37 - 6110=14, 3213/1.8=4...(11) QB ALA 75 + HB VAL 52 OK 25 97 - 26 - 6110=10, 6109/5118=4...(6) QD2 LEU 30 + HG2 GLN 55 OK 20 93 - 22 - 4587=6, 4586/5118=3...(9) QD2 LEU 73 + HG2 GLN 55 OK 19 80 - 23 - 5708/3.5=4, ~5182=3...(9) HD2 LYS 26 + HB VAL 52 OK 11 98 - 11 - 5133/4.4=2, 3.0/5117=2, ~5132=1 HD2 LYS 26 + HG2 GLN 55 OK 10 94 - 11 - 3.0/5117=2, ~5182=1, 4665/4658=1 QD2 LEU 87 - HB VAL 52 poor 10 92 - 11 - 5133/4.4=3 QD2 LEU 85 - HB VAL 52 lone 6 78 - 8 - 5133/4.4=2 QD1 LEU 76 - HB VAL 52 lone 6 78 - 7 - ~5132=1, 2.1/5117=1, 4672/4667=1 QD2 LEU 87 - HG2 GLN 55 lone 6 87 - 6 - QD2 LEU 73 - HB VAL 52 lone 5 85 - 6 - 5133/4.4=1 QD1 LEU 76 - HG2 GLN 55 lone 4 73 - 5 - 4672/4667=1 QD2 LEU 85 - HG2 GLN 55 lone 3 73 - 4 - QG2 VAL 47 - HG2 GLN 55 lone 2 82 - 3 - QG2 VAL 47 - HB VAL 52 lone 2 87 - 2 - Peak 6091 from cnoeabs.peaks (1.05, 2.74, 41.78 ppm; 3.88 A): 5 out of 12 assignments used, quality = 0.93: QD2 LEU 34 + HE2 LYS 64 OK 60 99 - 60 - 4669=15, 4669/1.8=13...(19) QD2 LEU 34 + HE3 LYS 64 OK 59 99 - 60 - 4669=15, 4669/1.8=13...(17) HG2 LYS 56 + HE3 LYS 44 OK 27 52 - 51 - 2644/3.0=6, 2642/3.5=5...(25) HG2 LYS 56 + HE2 LYS 64 OK 23 94 - 24 - 2645/3.0=2, 5423/6.7=2...(10) HG2 LYS 56 + HE3 LYS 64 OK 22 95 - 23 - 2645/3.0=2, 5423/6.7=2...(10) QD2 LEU 34 - HE3 LYS 44 OK 22 58 - 38 - 4669=11, 2.1/4671=6...(14) QG2 VAL 66 - HE2 LYS 64 OK 12 94 - 12 - 5466/3.0=3, 5423/6.7=2...(4) QG2 VAL 66 - HE3 LYS 64 OK 11 95 - 12 - 5466/3.0=3, 5423/6.7=2...(4) QG2 VAL 66 - HE3 LYS 44 lone 5 52 - 9 - 5466/4.8=3, 5465/3.5=2 QG2 THR 38 - HE3 LYS 64 lone 2 71 - 3 - QG2 THR 38 - HE2 LYS 64 lone 2 71 - 3 - QG2 THR 38 - HE3 LYS 44 lone 1 35 - 2 - Peak 6092 from cnoeabs.peaks (1.21, 2.74, 41.78 ppm; 3.92 A): 3 out of 24 assignments used, quality = 0.91: QD1 LEU 34 + HE2 LYS 64 OK 67 100 - 68 - 4671=16, 4671/1.8=13...(21) QD1 LEU 34 + HE3 LYS 64 OK 67 100 - 67 - 4671=16, 4671/1.8=13...(20) QD1 LEU 34 + HE3 LYS 44 OK 22 59 - 38 - 4671=8, 2.1/4669=8...(14) HG3 LYS 26 - HE3 LYS 44 OK 15 58 - 26 - 1710/3.0=2, 2294/1.8=2...(13) HD2 LYS 68 - HE2 LYS 64 OK 13 93 - 14 - 5434/3.8=3, 5422/6.7=2...(4) HD3 LYS 68 - HE2 LYS 64 OK 13 92 - 14 - 5434/3.8=3, 5422/6.7=2...(4) HD2 LYS 68 - HE3 LYS 64 OK 13 93 - 14 - 5434/3.8=3, 5422/6.7=2...(4) HD3 LYS 68 - HE3 LYS 64 OK 12 92 - 14 - 5434/3.8=3, 5422/6.7=2...(4) HG2 LYS 17 - HE3 LYS 64 OK 11 65 - 16 - 4671=3, 4677/3.8=2...(5) HG2 LYS 17 - HE2 LYS 64 OK 11 65 - 16 - 4671=3, 4671/1.8=2...(5) HD2 LYS 68 - HE3 LYS 44 poor 9 51 - 18 - ~3056=2, 3076/3.0=2...(11) HD3 LYS 68 - HE3 LYS 44 poor 9 50 - 18 - ~3056=2, 3076/3.0=2...(11) HG3 LYS 26 - HE2 LYS 64 lone 9 99 - 9 - 5434/3.8=2 HG3 LYS 26 - HE3 LYS 64 lone 9 99 - 9 - 5434/3.8=2 HG13 ILE 35 - HE3 LYS 64 lone 3 87 - 4 - HG13 ILE 35 - HE2 LYS 64 lone 3 87 - 4 - HG2 LYS 14 - HE3 LYS 44 lone 3 55 - 5 - HG13 ILE 35 - HE3 LYS 44 lone 3 46 - 7 - 3926/7.2=2, 2139/6.3=2 HG2 LYS 14 - HE3 LYS 64 lone 2 97 - 2 - HG2 LYS 14 - HE2 LYS 64 lone 2 97 - 2 - HG2 LYS 17 - HE3 LYS 44 lone 2 32 - 7 - 4671=1 QG2 THR 83 - HE3 LYS 64 lone 2 100 - 2 - QG2 THR 83 - HE2 LYS 64 lone 2 100 - 2 - QG2 THR 83 - HE3 LYS 44 lone 1 60 - 1 - Peak 6093 from cnoeabs.peaks (2.87, 1.04, 22.54 ppm; 4.55 A): 6 out of 10 assignments used, quality = 0.92: HB3 ASN 63 + QG2 VAL 66 OK 79 99 - 80 - 3.5/5401=32, 3.5/5399=29...(11) HE2 LYS 65 + QG2 VAL 66 OK 25 96 - 26 - 7.4/5467=7, 5.1/5464=6...(5) HE3 LYS 65 + QG2 VAL 66 OK 22 90 - 25 - 7.4/5467=7, 5.1/5464=6...(5) HB3 ASN 24 + QG2 VAL 66 OK 19 96 - 20 - 1.8/6097=4, 2808/5397=3...(6) HB3 ASN 18 + QG2 VAL 66 OK 13 98 - 13 - 4.8/5461=6, 461/5399=1 HB2 ASN 18 + QG2 VAL 66 OK 12 97 - 13 - 4.8/5461=6, 461/5399=1 HE3 LYS 17 - QG2 VAL 66 lone 8 95 - 9 - 308/4.0=1, 5.0/5464=1 HB3 TYR 32 - QG2 VAL 66 lone 7 95 - 7 - 2025/4688=2 HE2 LYS 17 - QG2 VAL 66 lone 5 76 - 7 - 5.0/5464=1, 5.0/5464=1 HB2 ASP 53 - QG2 VAL 66 lone 3 63 - 5 - Peak 6094 from cnoeabs.peaks (2.99, 1.12, 21.65 ppm; 4.62 A): 2 out of 10 assignments used, quality = 0.83: HB2 TYR 70 + QG1 VAL 66 OK 77 97 - 79 - 2.5/4696=30, ~4697=25...(10) HB2 TYR 70 + QG2 THR 13 OK 24 75 - 33 - 2.5/4696=11, 4.4/4687=7...(6) HE3 LYS 91 - QG1 VAL 66 lone 3 60 - 5 - HE2 LYS 91 - QG1 VAL 66 lone 3 60 - 5 - HE3 LYS 31 - QG1 VAL 66 lone 3 71 - 4 - HE2 LYS 31 - QG1 VAL 66 lone 3 68 - 4 - HE3 LYS 91 - QG2 THR 13 lone 2 41 - 4 - HE2 LYS 91 - QG2 THR 13 lone 2 41 - 4 - HE3 LYS 31 - QG2 THR 13 lone 1 50 - 3 - HE2 LYS 31 - QG2 THR 13 lone 1 48 - 3 - Peak 6095 from cnoeabs.peaks (4.09, 1.84, 31.97 ppm; 4.44 A): 3 out of 24 assignments used, quality = 0.83: HA3 GLY 61 + HB VAL 66 OK 67 96 - 70 - 5379/2.1=17, 5462/2.1=16...(11) HA LYS 14 + HB VAL 66 OK 34 95 - 36 - 5462/2.1=9, 3.0/6170=7...(11) HA3 GLY 54 + HB VAL 66 OK 22 78 - 28 - 5379/2.1=6, 5462/2.1=6...(8) HA LYS 26 - HB2 LYS 44 poor 9 30 - 29 - 1670/3.7=3, ~2273=3...(17) HA LYS 91 - HB VAL 66 lone 6 92 - 7 - 5462/2.1=2, 5516/4.5=1 HA3 GLY 61 - HB3 GLU 37 lone 6 70 - 9 - 3.6/6170=1, 5516/4041=1 HA LYS 26 - HB VAL 66 lone 5 90 - 6 - 5462/2.1=2 HA2 GLY 59 - HB VAL 66 lone 4 63 - 6 - 5462/2.1=1, 5516/4.5=1 HA2 GLY 59 - HB3 GLU 37 lone 4 42 - 9 - ~4911=3 HA LYS 91 - HB2 LYS 44 poor 3 31 - 11 - 1217/2.9=1 HA3 GLY 61 - HB2 GLU 37 lone 3 53 - 7 - HA LYS 14 - HB2 LYS 44 lone 3 33 - 10 - ~21=2, 3.0/6170=1...(4) HA LYS 26 - HB3 GLU 37 lone 3 65 - 5 - HA LYS 14 - HB3 GLU 37 lone 3 69 - 5 - HA2 GLY 59 - HB2 GLU 37 lone 3 30 - 8 - ~4911=3 HA3 GLY 54 - HB3 GLU 37 lone 2 54 - 4 - HA3 GLY 61 - HB2 LYS 44 lone 2 33 - 7 - 5380/2.9=1 HA LYS 91 - HB3 GLU 37 lone 2 66 - 3 - HA LYS 26 - HB2 GLU 37 lone 2 48 - 4 - HA LYS 14 - HB2 GLU 37 lone 2 52 - 4 - HA3 GLY 54 - HB2 GLU 37 lone 1 39 - 4 - HA LYS 91 - HB2 GLU 37 lone 1 49 - 3 - HA3 GLY 54 - HB2 LYS 44 lone 1 25 - 3 - HA2 GLY 59 - HB2 LYS 44 lone 1 19 - 3 - Peak 6096 from cnoeabs.peaks (4.50, 1.84, 31.97 ppm; 6.20 A): 2 out of 8 assignments used, quality = 0.93: HA2 GLY 61 + HB VAL 66 OK 84 97 - 86 - 5378/2.1=23, ~5372=21...(15) HB THR 13 + HB VAL 66 OK 58 90 - 64 - 5500/4.5=12, 4.3/6170=12...(14) HA2 GLY 61 - HB3 GLU 37 poor 10 73 - 13 - 3.6/6170=2, 5500/4041=2...(5) HB THR 13 - HB2 LYS 44 poor 8 30 - 28 - ~2267=5, ~2277=5...(9) HB THR 13 - HB3 GLU 37 lone 6 65 - 9 - 4.3/6170=1 HA2 GLY 61 - HB2 GLU 37 poor 6 55 - 10 - ~6095=1, 5500/4041=1...(4) HA2 GLY 61 - HB2 LYS 44 poor 4 35 - 11 - ~5371=2, ~5380=2 HB THR 13 - HB2 GLU 37 lone 4 48 - 8 - Peak 6097 from cnoeabs.peaks (2.93, 1.04, 22.54 ppm; 5.46 A): 4 out of 7 assignments used, quality = 0.88: HB2 ASN 63 + QG2 VAL 66 OK 77 85 - 91 - 5397=40, 3.5/5401=39...(11) HB2 ASN 24 + QG2 VAL 66 OK 21 97 - 22 - 1.8/6093=5, 3.5/5467=4...(7) HE2 LYS 14 + QG2 VAL 66 OK 18 83 - 22 - 6.6/5462=5, 3.9/3011=4...(9) HE3 LYS 14 + QG2 VAL 66 OK 16 76 - 22 - 6.6/5462=5, 3.9/3011=4...(9) HB3 PHE 80 - QG2 VAL 66 poor 8 76 - 11 - 4.0/5467=4, 797/5395=1 HD2 ARG 45 - QG2 VAL 66 lone 2 81 - 3 - HD3 ARG 45 - QG2 VAL 66 lone 2 81 - 3 - Peak 6098 from cnoeabs.peaks (2.89, 1.12, 21.65 ppm; 5.73 A): 7 out of 16 assignments used, quality = 0.93: HB2 ASN 63 + QG1 VAL 66 OK 57 76 - 75 - 5397/2.1=33, 3.5/5402=28...(7) HB3 ASN 63 + QG1 VAL 66 OK 47 60 - 79 - ~5397=34, 3.5/5402=28...(7) HE3 LYS 65 + QG1 VAL 66 OK 26 99 - 26 - 308/4.0=8, ~6093=5...(7) HE2 LYS 65 + QG1 VAL 66 OK 26 97 - 26 - 308/4.0=8, ~6093=5...(8) HE3 LYS 14 + QG1 VAL 66 OK 21 85 - 25 - ~6097=4, 7.4/23=3...(11) HE2 LYS 14 + QG1 VAL 66 OK 20 78 - 25 - ~6097=4, 7.4/23=3...(11) HB2 ASN 63 + QG2 THR 13 OK 12 54 - 22 - 4.0/5394=11, 3.5/5402=5 HB2 ASP 53 - QG1 VAL 66 lone 9 99 - 9 - 5209/5472=2, 5148/5482=2 HB3 ASN 63 - QG2 THR 13 poor 8 41 - 20 - 4.0/5394=11, 3.5/5402=5 HB3 PHE 80 - QG1 VAL 66 lone 8 85 - 9 - 4.0/4287=2, 309/4.0=1 HE3 LYS 14 - QG2 THR 13 poor 8 62 - 12 - 4.9/1238=2, 4.9/1228=2...(5) HE2 LYS 14 - QG2 THR 13 poor 7 56 - 12 - 4.9/1238=2, 4.9/1228=2...(5) HE3 LYS 65 - QG2 THR 13 lone 7 79 - 9 - 7.4/4287=1 HE2 LYS 65 - QG2 THR 13 lone 7 75 - 9 - 7.4/4287=1 HB3 PHE 80 - QG2 THR 13 lone 4 62 - 7 - 4.0/4287=1, 5770/6207=1 HB2 ASP 53 - QG2 THR 13 lone 3 79 - 4 - Peak 6099 from cnoeabs.peaks (1.38, 1.12, 21.65 ppm; 3.44 A): 3 out of 22 assignments used, quality = 0.94: QB ALA 67 + QG1 VAL 66 OK 72 99 - 73 - 2.9/4043=19, 5507/2.1=15...(17) QB ALA 69 + QG1 VAL 66 OK 69 99 - 70 - 4184/3.2=22, 5583=19...(15) HB3 LEU 12 + QG2 THR 13 OK 27 80 - 34 - 4.6/531=9, 4275=5...(10) QB ALA 67 - QG2 THR 13 OK 26 78 - 34 - 2.9/4043=7, 2.1/5511=7...(10) HB3 LYS 56 - QG1 VAL 66 OK 20 100 - 20 - 2633/2.1=3, 4183/3.2=2...(5) HB2 LYS 64 - QG1 VAL 66 OK 19 90 - 21 - 828/4.3=3, 5465/2.1=3...(8) HG2 LYS 44 - QG1 VAL 66 OK 17 99 - 17 - 5465/2.1=2, ~5466=2, 4183/3.2=1 HD3 LYS 56 - QG1 VAL 66 OK 17 92 - 18 - ~5466=3, 2673/2.1=2...(6) HB3 LEU 12 - QG1 VAL 66 OK 16 100 - 17 - 4.6/531=3, 4275=2...(5) HG2 LYS 68 - QG1 VAL 66 OK 15 97 - 16 - 828/4.3=2, 4183/3.2=2...(5) QB ALA 69 - QG2 THR 13 OK 14 78 - 18 - 5583=4, 3.6/5585=4...(5) HG2 LYS 44 - QG2 THR 13 poor 10 77 - 13 - 2277/3.2=2, 16/4.0=2, ~2287=1 HG2 LYS 68 - QG2 THR 13 lone 6 75 - 8 - 16/4.0=1 HB2 LYS 64 - QG2 THR 13 lone 5 67 - 7 - 16/4.0=2 HB3 LYS 56 - QG2 THR 13 lone 4 80 - 4 - HG2 LYS 91 - QG1 VAL 66 lone 3 65 - 4 - HG3 LYS 91 - QG1 VAL 66 lone 3 65 - 4 - HD3 LYS 56 - QG2 THR 13 lone 2 69 - 3 - QB ALA 89 - QG1 VAL 66 lone 2 78 - 2 - HG3 LYS 91 - QG2 THR 13 lone 2 46 - 3 - HG2 LYS 91 - QG2 THR 13 lone 2 46 - 3 - QB ALA 89 - QG2 THR 13 lone 1 56 - 1 - Peak 6100 from cnoeabs.peaks (0.76, 1.10, 21.44 ppm; 3.62 A): 4 out of 24 assignments used, quality = 0.69: QD1 LEU 73 + QG2 THR 13 OK 37 95 - 40 - 6152/3.2=8, 2.1/4280=7...(9) QD1 LEU 12 + QG2 THR 13 OK 34 89 - 39 - 3801/4.0=10, 4265/3.2=9...(9) QD1 LEU 73 + QG1 VAL 66 OK 16 71 - 22 - 4699/4696=4, 4690/4687=3...(9) HG2 LYS 26 + QG2 THR 13 OK 12 92 - 12 - 3.0/4280=2, 1.8/1248=2...(4) QD1 LEU 12 - QG1 VAL 66 poor 9 65 - 13 - 3.1/4275=3, 4.6/4287=2...(4) QD1 LEU 30 - QG2 THR 38 poor 8 62 - 12 - 3895/4.0=5, 6031/3.2=3...(4) QD1 LEU 30 - QG2 THR 13 lone 7 99 - 7 - 2.1/4280=2, 6152/3.2=1 QG1 VAL 20 - QG2 THR 13 lone 6 89 - 7 - 18/4.0=2 QD2 LEU 79 - QG2 THR 13 lone 6 78 - 7 - 6152/3.2=2, 4.0/4277=1 HG2 LYS 26 - QG1 VAL 66 lone 6 69 - 8 - QD1 LEU 12 - QG2 THR 38 poor 6 51 - 11 - 3.1/4276=1, 1188/3.2=1, ~4787=1 QD1 LEU 79 - QG2 THR 13 lone 5 68 - 8 - 18/4.0=2, 4.0/4277=1, ~6152=1 QD2 LEU 79 - QG1 VAL 66 lone 5 56 - 8 - 5873/4687=1 QD1 LEU 30 - QG1 VAL 66 lone 5 78 - 6 - 4699/4696=1 QG1 VAL 20 - QG1 VAL 66 lone 4 65 - 7 - ~5460=2 QD1 LEU 23 - QG2 THR 13 lone 3 71 - 4 - QD1 LEU 79 - QG1 VAL 66 lone 2 48 - 5 - QD1 LEU 73 - QG2 THR 38 lone 2 56 - 3 - HG2 LYS 26 - QG2 THR 38 lone 2 53 - 3 - QG1 VAL 20 - QG2 THR 38 lone 1 51 - 3 - QD1 LEU 23 - QG1 VAL 66 lone 1 50 - 3 - QD1 LEU 23 - QG2 THR 38 lone 1 38 - 3 - 1613/4.2=2 QD2 LEU 79 - QG2 THR 38 lone 1 43 - 3 - QD1 LEU 79 - QG2 THR 38 lone 1 36 - 2 - Peak 6101 from cnoeabs.peaks (1.76, 0.80, 25.66 ppm; 5.18 A): 4 out of 14 assignments used, quality = 0.99: HB3 MET 48 + HG3 LYS 68 OK 90 96 - 94 - 4877/3.9=31, 4.0/4868=19...(32) HB2 LYS 65 + HG3 LYS 68 OK 55 73 - 75 - ~4177=13, ~5556=13...(30) HB3 LYS 65 + HG3 LYS 68 OK 48 63 - 77 - ~4177=13, ~5556=13...(33) HB2 LEU 73 + HG3 LYS 68 OK 47 97 - 48 - ~6107=5, 5540/3.9=4...(23) HB3 GLN 55 - HG3 LYS 68 OK 29 93 - 31 - 4.5/5203=11, 4.5/4050=9...(5) QE MET 11 - HG3 LYS 68 OK 28 100 - 28 - 4245/2.9=7, 5540/3.9=3...(11) HD3 LYS 78 - HG3 LYS 68 OK 16 83 - 18 - 5816=2, 2.9/5815=2...(6) HB2 ARG 27 - HG3 LYS 68 OK 15 96 - 15 - 4.2/4558=2, 5540/3.9=2...(4) HG3 GLU 37 - HG3 LYS 68 OK 13 73 - 18 - 4878/3.9=4, 4852=2...(5) HB2 LYS 31 - HG3 LYS 68 OK 13 76 - 17 - 4597/4611=3, 3.0/3066=2...(5) QB ALA 74 - HG3 LYS 68 OK 12 96 - 13 - 5540/3.9=2, 5717/5661=1...(4) HB3 ARG 28 - HG3 LYS 68 OK 11 100 - 11 - 4.0/4558=2, 5540/3.9=2 HB2 LYS 91 - HG3 LYS 68 lone 6 60 - 9 - HB2 ARG 28 - HG3 LYS 68 lone 5 76 - 7 - 4.0/4558=2 Peak 6102 from cnoeabs.peaks (2.02, 1.49, 17.66 ppm; 3.54 A): 6 out of 9 assignments used, quality = 0.75: HB2 LEU 23 + QB ALA 72 OK 51 99 - 52 - 1.8/5672=12, 3.1/5673=9...(17) HB2 GLN 55 + QB ALA 72 OK 16 92 - 17 - 4.5/5697=3, 3.0/5173=3...(6) HG3 GLN 55 + QB ALA 72 OK 14 90 - 16 - 3.5/5697=4, 3.5/5694=3...(4) HG2 GLU 49 + QB ALA 72 OK 11 99 - 11 - 4971/4.2=2, 3.7/4957=1, 4971=1 HB2 GLU 25 + QB ALA 72 OK 11 60 - 19 - 1645/2.1=3, 3.0/3159=3...(7) HB3 GLU 49 + QB ALA 72 OK 11 100 - 11 - 4965/4.2=2, 3.0/4957=1, 4965=1 HB2 LYS 78 - QB ALA 72 lone 4 63 - 6 - HB2 LEU 34 - QB ALA 72 lone 3 65 - 5 - HG2 PRO 84 - QB ALA 72 lone 3 68 - 4 - Peak 6103 from cnoeabs.peaks (2.46, 0.78, 24.28 ppm; 4.18 A): 3 out of 8 assignments used, quality = 0.80: HG3 GLU 77 + QD1 LEU 73 OK 65 100 - 66 - 5802=13, 1.8/5804=11...(18) HG3 GLU 25 + QD1 LEU 73 OK 36 97 - 37 - 1.8/6104=7, ~6105=5...(14) HG3 GLU 25 + HG2 LYS 26 OK 10 37 - 27 - 95/4.9=9, ~6161=4...(8) HG3 GLU 77 - HG2 LYS 26 poor 9 41 - 23 - 95/4.9=5, 5802=4...(8) HG3 MET 21 - QD1 LEU 73 lone 4 100 - 4 - HG3 MET 21 - HG2 LYS 26 lone 3 41 - 7 - 95/4.9=2 HB3 ASP 43 - QD1 LEU 73 lone 1 85 - 1 - HB3 ASP 43 - HG2 LYS 26 lone 1 30 - 2 - Peak 6104 from cnoeabs.peaks (2.21, 0.78, 24.28 ppm; 4.67 A): 3 out of 8 assignments used, quality = 0.92: HG2 GLU 77 + QD1 LEU 73 OK 75 100 - 75 - 1.8/6103=22, 5804=15...(18) HG2 GLU 25 + QD1 LEU 73 OK 48 100 - 48 - 1.8/6103=12, 6105/2.1=7...(15) HE2 LYS 68 + QD1 LEU 73 OK 36 97 - 37 - 6105/2.1=6, 3.7/6107=5...(15) HE2 LYS 68 - HG2 LYS 26 OK 19 38 - 51 - 3096/2.9=7, 1.8/5566=5...(19) HG2 GLU 33 - QD1 LEU 73 OK 16 100 - 16 - 6105/2.1=3, ~4663=2...(4) HG2 GLU 25 - HG2 LYS 26 OK 15 41 - 36 - 3864/4.9=15, ~6161=5...(9) HG2 GLU 77 - HG2 LYS 26 OK 11 41 - 26 - 94/4.9=6, 1.8/5802=4...(9) HG2 GLU 33 - HG2 LYS 26 lone 4 41 - 9 - 94/4.9=1 Peak 6105 from cnoeabs.peaks (2.22, 0.84, 24.71 ppm; 5.24 A): 3 out of 5 assignments used, quality = 0.93: HG2 GLU 77 + QD2 LEU 73 OK 78 100 - 78 - ~6103=19, 5795/4.6=18...(18) HG2 GLU 25 + QD2 LEU 73 OK 49 100 - 49 - ~6103=10, 6104/2.1=9...(15) HE2 LYS 68 + QD2 LEU 73 OK 39 100 - 39 - 6104/2.1=7, 3095/2.1=4...(17) HG2 GLU 33 - QD2 LEU 73 OK 21 100 - 20 - 4657=3, 6104/2.1=3...(5) HG3 MET 11 - QD2 LEU 73 OK 19 63 - 30 - ~4243=10, 3.4/3198=3...(13) Peak 6106 from cnoeabs.peaks (2.99, 0.78, 24.28 ppm; 5.08 A): 1 out of 12 assignments used, quality = 0.91: HB2 TYR 70 + QD1 LEU 73 OK 91 100 - 91 - 3.0/5713=23, ~5707=23...(21) HE3 LYS 31 - QD1 LEU 73 OK 15 87 - 17 - 7.0/130=2, 3.6/6107=2...(5) HE2 LYS 31 - QD1 LEU 73 OK 14 85 - 17 - 7.0/130=2, 3.6/6107=2...(5) HB2 TYR 70 - HG2 LYS 26 OK 10 41 - 25 - 2.5/4699=5, 3.0/5607=4...(9) HE2 LYS 91 - QD1 LEU 73 OK 10 78 - 12 - HE3 LYS 91 - QD1 LEU 73 OK 10 78 - 12 - HB3 HIS 15 - QD1 LEU 73 poor 8 76 - 10 - 4578/4699=2, 3121/5713=2...(6) HE3 LYS 31 - HG2 LYS 26 poor 3 31 - 10 - 7.0/130=2 HE2 LYS 31 - HG2 LYS 26 poor 3 30 - 10 - 7.0/130=2 HB3 HIS 15 - HG2 LYS 26 lone 1 26 - 6 - ~4293=1 HE3 LYS 91 - HG2 LYS 26 lone 1 27 - 4 - HE2 LYS 91 - HG2 LYS 26 lone 1 27 - 4 - Peak 6107 from cnoeabs.peaks (1.38, 0.78, 24.28 ppm; 4.09 A): 7 out of 20 assignments used, quality = 0.78: HG2 LYS 68 + QD1 LEU 73 OK 33 90 - 37 - 3.7/6104=3, 3055/2.1=3...(16) QB ALA 69 + QD1 LEU 73 OK 27 100 - 27 - 3.6/5587=9, 5711/4.4=6...(7) HG2 LYS 68 + HG2 LYS 26 OK 18 33 - 54 - 3056/2.9=5, 3059/1.8=4...(28) QB ALA 67 + QD1 LEU 73 OK 17 95 - 19 - 5508/2.1=3, 5489/4699=2...(6) HG2 LYS 44 + HG2 LYS 26 OK 16 35 - 47 - 2281/1.8=6, 2283/2.9=4...(27) HG2 LYS 31 + QD1 LEU 73 OK 11 73 - 15 - 4.6/130=3, 3.6/6106=2...(6) HB3 LEU 12 + QD1 LEU 73 OK 11 99 - 11 - 5711/4.4=1 HB3 LYS 56 - QD1 LEU 73 lone 8 99 - 8 - 5711/4.4=2 HB3 LYS 56 - HG2 LYS 26 poor 7 40 - 18 - 2635/2.9=1, 2634/2.9=1 HD3 LYS 56 - QD1 LEU 73 lone 7 98 - 7 - 5711/4.4=1 HD3 LYS 56 - HG2 LYS 26 poor 7 39 - 17 - 2671/2.9=1, 2674/2.9=1 HG2 LYS 44 - QD1 LEU 73 lone 6 93 - 7 - HB3 LEU 12 - HG2 LYS 26 poor 6 39 - 15 - 1178=2, 1.8/1171=1, 3.1/1199=1 QB ALA 69 - HG2 LYS 26 poor 5 41 - 11 - 3.6/5587=2, 2.9/5581=2...(4) HG2 LYS 31 - HG2 LYS 26 poor 5 25 - 19 - 4.6/130=2, 1953/2.9=2...(8) HB2 LYS 64 - QD1 LEU 73 lone 4 78 - 6 - QB ALA 67 - HG2 LYS 26 lone 3 36 - 9 - 5504/3.9=2, 5508/3.0=2 HB2 LYS 64 - HG2 LYS 26 lone 2 27 - 8 - ~5434=1, ~5422=1 QB ALA 89 - QD1 LEU 73 lone 2 63 - 2 - QB ALA 89 - HG2 LYS 26 lone 0 20 - 1 - Peak 6108 from cnoeabs.peaks (1.33, 0.87, 19.18 ppm; 4.40 A): 4 out of 9 assignments used, quality = 0.72: HB VAL 50 + QB ALA 75 OK 53 100 - 53 - 2.1/6109=31, 2.1/5763=15...(5) HB2 LYS 26 + QB ALA 75 OK 26 85 - 30 - 4521/5.0=5, 4.0/609=3...(14) HG3 LYS 31 + QB ALA 75 OK 11 63 - 18 - 3.0/4603=4, 6034/2.1=3...(6) QB ALA 60 + QB ALA 75 OK 11 87 - 12 - 3.6/4075=5, 4013/3.6=3, ~5339=1 QB ALA 86 - QB ALA 75 poor 10 95 - 10 - ~4234=2, 3.7/5744=2...(5) HG3 ARG 45 - QB ALA 75 lone 4 97 - 4 - HG2 LYS 91 - QB ALA 75 lone 2 76 - 3 - HG3 LYS 91 - QB ALA 75 lone 2 76 - 3 - QB ALA 89 - QB ALA 75 lone 1 63 - 2 - Peak 6109 from cnoeabs.peaks (0.25, 0.87, 19.18 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.62: QG2 VAL 50 + QB ALA 75 OK 62 95 - 66 - 2.1/6108=19, 2.1/5763=15...(18) Peak 6110 from cnoeabs.peaks (2.16, 0.87, 19.18 ppm; 4.40 A): 3 out of 3 assignments used, quality = 0.70: HB3 MET 21 + QB ALA 75 OK 37 96 - 38 - ~4161=6, 1.8/3213=5...(12) HG2 GLN 55 + QB ALA 75 OK 36 100 - 37 - 6090=8, 4.7/5744=4...(14) HB VAL 52 + QB ALA 75 OK 26 100 - 26 - 6090=6, 5118/6109=5...(6) Peak 6111 from cnoeabs.peaks (2.92, 3.94, 58.16 ppm; 3.93 A): 3 out of 6 assignments used, quality = 0.85: HB3 PHE 80 + HA LEU 76 OK 79 100 - 79 - 2.5/4701=19, 5892=19...(16) HB2 ASN 24 + HA LEU 76 OK 22 99 - 22 - 3.7/78=6, 4.6/1035=5...(4) HB2 ASN 63 + HA LEU 76 OK 10 100 - 10 - 4.4/4076=2, 5770/4.0=1 HE2 LYS 14 - HA LEU 76 lone 6 100 - 6 - 5770/4.0=2, 3.9/4523=1 HE3 LYS 14 - HA LEU 76 lone 6 100 - 6 - 5770/4.0=2, 3.9/4523=1 HB2 ASP 53 - HA LEU 76 lone 4 87 - 4 - Peak 6112 from cnoeabs.peaks (3.17, 3.94, 58.16 ppm; 4.47 A): 2 out of 5 assignments used, quality = 0.95: HB2 PHE 80 + HA LEU 76 OK 86 97 - 88 - 1.8/6111=28, 5883=24...(19) HD3 PRO 81 + HA LEU 76 OK 68 96 - 71 - 4.8/6111=15, 3.8/5789=14...(22) HB2 PHE 57 - HA LEU 76 OK 41 100 - 41 - 5256/4.0=10, 5255/5.0=8...(12) HD2 ARG 27 - HA LEU 76 OK 18 90 - 20 - 4550/5.0=3, 5769/4.0=3...(7) HD2 ARG 28 - HA LEU 76 OK 11 99 - 11 - 5758/5.0=3, 5769/4.0=1 Peak 6114 from cnoeabs.peaks (1.21, 0.71, 23.37 ppm; 3.64 A): 5 out of 7 assignments used, quality = 0.79: HG3 LYS 26 + QD2 LEU 76 OK 43 100 - 43 - 3.9/5771=6, 3.9/5771=6...(17) QD1 LEU 34 + QD2 LEU 76 OK 27 99 - 27 - 4676/2.1=6, 4677=3...(7) HD2 LYS 68 + QD2 LEU 76 OK 21 89 - 24 - 3.5/6047=3, 6115/2.1=2...(8) HD3 LYS 68 + QD2 LEU 76 OK 21 87 - 24 - 3.5/6047=3, 6115/2.1=2...(8) HG2 LYS 14 + QD2 LEU 76 OK 20 99 - 20 - 1.8/6207=7, ~6206=5...(6) QG2 THR 83 - QD2 LEU 76 lone 6 100 - 6 - ~5936=1 HG13 ILE 35 - QD2 LEU 76 lone 4 81 - 4 - Peak 6115 from cnoeabs.peaks (1.23, 0.88, 26.00 ppm; 4.39 A): 7 out of 9 assignments used, quality = 0.91: HB2 LEU 79 + QD1 LEU 76 OK 42 71 - 60 - 2.9/6048=13, 5773/2.1=6...(22) HG3 LYS 26 + QD1 LEU 76 OK 41 81 - 51 - 6114/2.1=10, 4523/4.0=6...(19) QD1 LEU 34 + QD1 LEU 76 OK 27 97 - 28 - 4676=8, 2.1/6206=7...(5) HD2 LYS 68 + QD1 LEU 76 OK 26 100 - 26 - 6114/2.1=5, ~6114=5...(8) HD3 LYS 68 + QD1 LEU 76 OK 26 100 - 26 - 6114/2.1=5, ~6114=5...(8) HG2 LYS 14 + QD1 LEU 76 OK 19 71 - 26 - 1.8/6206=10, ~6207=7...(5) HG2 LYS 17 + QD1 LEU 76 OK 16 96 - 17 - 4676=3, 4677/2.1=2...(4) QG2 THR 83 - QD1 LEU 76 lone 9 93 - 9 - 2.1/5936=2, 6114/2.1=1 HG13 ILE 35 - QD1 LEU 76 lone 5 100 - 5 - Peak 6116 from cnoeabs.peaks (0.77, 1.87, 33.27 ppm; 4.20 A): 4 out of 8 assignments used, quality = 0.97: QD2 LEU 79 + HB3 LYS 78 OK 76 97 - 78 - 5815/2.8=14, 3412/4.4=12...(25) QD1 LEU 30 + HB3 LYS 78 OK 55 100 - 56 - 5815/2.8=8, 6033/3.0=6...(18) QD1 LEU 23 + HB3 LYS 78 OK 50 95 - 54 - 5815/2.8=8, 4483/4.0=8...(19) QD1 LEU 73 + HB3 LYS 78 OK 46 100 - 46 - 6145=7, 5815/2.8=6...(16) QD1 LEU 12 - HB3 LYS 78 OK 18 60 - 30 - 2.1/3312=4, 5814/2.8=3...(14) QG1 VAL 20 - HB3 LYS 78 OK 11 60 - 19 - 4.0/56=2, 5811/4.0=2...(8) HG3 LYS 68 - HB3 LYS 78 poor 9 63 - 14 - 896/4.4=2, 5815/2.8=2 HG2 LYS 26 - HB3 LYS 78 lone 6 65 - 10 - 5811/4.0=1 Peak 6117 from cnoeabs.peaks (1.77, 4.01, 55.46 ppm; 4.63 A): 7 out of 14 assignments used, quality = 0.91: HD3 LYS 78 + HA LEU 79 OK 65 93 - 70 - 2.9/5822=12, 3.7/5819=10...(18) HB2 LYS 65 + HA LEU 79 OK 29 87 - 33 - 2917/3.6=5, 3.8/4096=4...(13) HB3 GLN 55 + HA LEU 79 OK 25 83 - 31 - 4.6/3377=5, 3988/2.9=5...(9) HB2 ARG 27 + HA LEU 79 OK 19 99 - 19 - ~373=3, 376/2.9=3...(6) QE MET 11 + HA LEU 79 OK 19 100 - 19 - 4245/2.9=7, 4243/4.0=6 HB2 LEU 73 + HA LEU 79 OK 16 90 - 17 - 3.1/3383=3, ~896=2...(7) QB ALA 74 + HA LEU 79 OK 12 99 - 12 - 376/2.9=3, 5718/6048=1 HB2 LYS 31 - HA LEU 79 lone 7 89 - 8 - ~373=2, 376/2.9=2 HG3 GLU 37 - HA LEU 79 lone 6 87 - 7 - 376/2.9=1 HB3 ARG 28 - HA LEU 79 lone 5 100 - 5 - HB2 ARG 28 - HA LEU 79 lone 5 89 - 5 - HB2 MET 48 - HA LEU 79 lone 4 73 - 6 - 376/2.9=1 HB3 MET 48 - HA LEU 79 lone 4 87 - 5 - 4853/4.0=1 HB2 LYS 91 - HA LEU 79 lone 3 76 - 4 - ~373=1 Peak 6118 from cnoeabs.peaks (2.07, 1.51, 28.78 ppm; 4.09 A): 13 out of 21 assignments used, quality = 0.94: QE MET 21 + HD2 LYS 17 OK 37 93 - 40 - 4443=9, 4443/1.8=8...(10) QE MET 21 + HD3 LYS 17 OK 37 93 - 40 - 4443=9, 4443/1.8=8...(10) HG2 GLU 22 + HD2 LYS 17 OK 26 100 - 26 - 6119=4, 6119/1.8=3...(12) HG2 GLU 22 + HD3 LYS 17 OK 26 100 - 26 - 6119=4, 6119/1.8=3...(12) HA ALA 75 + HD2 LYS 56 OK 18 59 - 31 - 5753/3.0=5, 5753/3.0=5...(12) HB2 MET 21 + HD3 LYS 17 OK 15 96 - 16 - 4.2/4443=5, 4433/3.0=2...(8) HB2 MET 21 + HD2 LYS 17 OK 15 96 - 16 - 4.2/4443=5, 4433/3.0=2...(8) HG2 GLU 22 + HD2 LYS 56 OK 14 75 - 19 - ~4453=2, 6119/3.4=2...(9) HG3 GLU 33 + HD2 LYS 56 OK 14 71 - 19 - 4664/3.0=3, 4665/1.8=2...(7) HG3 GLU 33 + HD2 LYS 17 OK 12 97 - 12 - 4664/3.0=2, 6123/3.7=2...(4) HG3 GLU 33 + HD3 LYS 17 OK 12 97 - 12 - 4664/3.0=2, 6123/3.7=2...(4) HA ALA 75 + HD2 LYS 17 OK 10 87 - 12 - 5765/3.0=2, ~4676=1...(4) HA ALA 75 + HD3 LYS 17 OK 10 87 - 12 - 5765/3.0=2, ~4676=1...(4) QE MET 21 - HD2 LYS 56 poor 10 66 - 15 - 4444=4, 4443/3.4=4...(5) HB3 GLU 77 - HD2 LYS 17 lone 4 100 - 4 - HB3 GLU 77 - HD3 LYS 17 lone 4 100 - 4 - HB2 MET 21 - HD2 LYS 56 lone 4 68 - 5 - 4.2/4444=2, 3842/5.8=1 HB3 GLU 77 - HD2 LYS 56 lone 3 75 - 4 - HB3 GLU 25 - HD2 LYS 17 lone 2 71 - 3 - HB3 GLU 25 - HD3 LYS 17 lone 2 71 - 3 - HB3 GLU 25 - HD2 LYS 56 lone 1 46 - 3 - Peak 6119 from cnoeabs.peaks (1.51, 2.07, 36.01 ppm; 4.47 A): 8 out of 14 assignments used, quality = 0.93: HB3 LYS 26 + HG2 GLU 22 OK 34 97 - 35 - ~6161=6, 3.6/4464=6...(10) QB ALA 72 + HG2 GLU 22 OK 30 92 - 33 - 4201/4.0=5, 2.1/4456=5...(11) HD2 LYS 17 + HG2 GLU 22 OK 30 100 - 30 - 6118=5, 1.8/6118=4...(12) HD3 LYS 17 + HG2 GLU 22 OK 30 100 - 30 - 6118=5, 1.8/6118=4...(12) HB2 LYS 56 + HG2 GLU 22 OK 27 99 - 27 - 4458/1.8=3, 6121/3.0=3...(10) HG LEU 34 + HG2 GLU 22 OK 26 99 - 26 - ~4459=4, 4458/1.8=3...(12) HD3 LYS 64 + HG2 GLU 22 OK 24 90 - 26 - 2.9/4465=6, ~4462=5...(11) HB2 LEU 85 + HG2 GLU 22 OK 20 100 - 20 - 4458/1.8=3, 4.3/1566=2...(9) QB ALA 71 - HG2 GLU 22 OK 20 96 - 21 - 2.1/4456=3, 4458/1.8=3...(8) HD2 LYS 56 - HG2 GLU 22 OK 15 73 - 21 - ~4453=3, ~4450=3, 6118=3...(9) HG2 GLU 37 - HG2 GLU 22 OK 15 99 - 15 - 2185/3.0=2, 4458/1.8=2...(6) HB3 LEU 87 - HG2 GLU 22 OK 11 73 - 15 - 4.2/1566=4, 3.1/4464=2...(6) HG3 ARG 27 - HG2 GLU 22 lone 4 97 - 4 - HB2 ARG 45 - HG2 GLU 22 lone 4 100 - 4 - Peak 6120 from cnoeabs.peaks (1.49, 1.94, 29.30 ppm; 4.43 A): 7 out of 22 assignments used, quality = 0.92: HB3 LEU 76 + HB3 GLU 22 OK 47 68 - 69 - ~4451=8, ~4465=8...(22) QB ALA 72 + HB3 GLU 22 OK 40 100 - 41 - 4201/3.0=7, 4467/4.6=5...(15) HB2 LYS 56 + HB3 GLU 22 OK 32 95 - 33 - 2.9/4453=5, 6122/3.0=4...(12) HB3 LEU 76 + HB2 GLU 77 OK 24 52 - 46 - 4.6/3263=9, 5778/4.1=4...(17) HD3 LYS 17 + HB3 GLU 22 OK 23 81 - 29 - 6122/3.0=3, 6121/1.8=3...(15) HD2 LYS 17 + HB3 GLU 22 OK 23 81 - 29 - 6122/3.0=3, 6121/1.8=3...(15) HG LEU 79 + HB3 GLU 22 OK 21 95 - 23 - 4467/4.6=6, 6122/3.0=3...(7) HG LEU 34 - HB3 GLU 22 OK 20 65 - 30 - 2.1/4453=5, ~4450=3...(12) QB ALA 72 - HB2 GLU 77 OK 20 84 - 23 - 4201/3.0=5, ~1070=2...(7) HG2 GLU 37 - HB3 GLU 22 OK 16 93 - 17 - 2185/1.8=3, 6122/3.0=2...(6) HB2 LEU 85 - HB3 GLU 22 OK 15 71 - 21 - ~4451=3, ~5958=3...(10) HG LEU 79 - HB2 GLU 77 OK 14 77 - 18 - 5864/4.1=6, 359/4.0=2...(6) HG LEU 12 - HB3 GLU 22 lone 5 71 - 7 - 4467/4.6=1 HB2 LEU 85 - HB2 GLU 77 lone 5 54 - 9 - 4.3/3263=1 HB2 LYS 56 - HB2 GLU 77 lone 5 77 - 6 - HG LEU 12 - HB2 GLU 77 lone 4 54 - 8 - 5864/4.1=2, 359/4.0=1 HB2 ARG 45 - HB3 GLU 22 lone 3 81 - 4 - HD3 LYS 17 - HB2 GLU 77 lone 3 63 - 4 - HD2 LYS 17 - HB2 GLU 77 lone 3 63 - 4 - HG LEU 34 - HB2 GLU 77 lone 3 49 - 5 - 5.1/150=1 HG2 GLU 37 - HB2 GLU 77 lone 2 75 - 3 - HB2 ARG 45 - HB2 GLU 77 lone 1 63 - 2 - Peak 6121 from cnoeabs.peaks (1.50, 1.84, 29.30 ppm; 4.98 A): 7 out of 13 assignments used, quality = 0.93: QB ALA 72 + HB2 GLU 22 OK 46 100 - 46 - 4201/3.0=8, 6120/1.8=5...(14) HB2 LYS 56 + HB2 GLU 22 OK 38 99 - 38 - 2.9/4450=6, 6122/3.0=5...(11) HD2 LYS 17 + HB2 GLU 22 OK 29 93 - 32 - 6122/3.0=4, 6118/3.0=4...(12) HD3 LYS 17 + HB2 GLU 22 OK 29 93 - 32 - 6122/3.0=4, 6118/3.0=4...(12) HG LEU 34 + HB2 GLU 22 OK 28 83 - 34 - 2.1/4450=6, ~4453=5...(10) HB3 LYS 26 + HB2 GLU 22 OK 27 76 - 35 - 3.6/4451=6, ~6161=6...(9) HG2 GLU 37 + HB2 GLU 22 OK 23 99 - 23 - 2185=3, 6120/1.8=2...(9) HB2 LEU 85 - HB2 GLU 22 OK 22 87 - 25 - 3.1/4451=5, 4.3/1554=3...(11) HG LEU 79 - HB2 GLU 22 OK 22 83 - 27 - 4467/4.6=6, 2.1/4452=4...(7) QB ALA 71 - HB2 GLU 22 OK 18 71 - 25 - 2.1/4144=3, ~4456=2...(9) HD3 LYS 64 - HB2 GLU 22 OK 17 60 - 29 - ~4462=4, ~4465=4...(11) HB2 ARG 45 - HB2 GLU 22 lone 5 93 - 5 - HG3 ARG 27 - HB2 GLU 22 lone 4 76 - 6 - Peak 6122 from cnoeabs.peaks (1.49, 3.89, 59.27 ppm; 4.58 A): 9 out of 11 assignments used, quality = 0.94: QB ALA 72 + HA GLU 22 OK 45 100 - 45 - 4201=7, 4467/3.6=7...(14) HB3 LEU 76 + HA GLU 22 OK 37 68 - 55 - 4467/3.6=9, 1.8/4223=7...(18) HB2 LYS 56 + HA GLU 22 OK 33 95 - 35 - 6121/3.0=3, 6120/3.0=3...(13) HD2 LYS 17 + HA GLU 22 OK 24 81 - 30 - 3.7/6202=6, 3.7/6202=6...(8) HD3 LYS 17 + HA GLU 22 OK 24 81 - 30 - 3.7/6202=6, 3.7/6202=6...(8) HG LEU 79 + HA GLU 22 OK 23 95 - 24 - 4467/3.6=8, 2.1/4449=3...(7) HB2 LEU 85 + HA GLU 22 OK 17 71 - 23 - 4.3/1548=2, 6121/3.0=2...(7) HG LEU 34 + HA GLU 22 OK 16 65 - 24 - ~4453=3, ~4450=3...(11) HG2 GLU 37 + HA GLU 22 OK 14 93 - 15 - 2185/3.0=2, 6120/3.0=2...(5) HG LEU 12 - HA GLU 22 lone 6 71 - 9 - 4467/3.6=2, 2.1/4449=1 HB2 ARG 45 - HA GLU 22 lone 3 81 - 3 - Peak 6123 from cnoeabs.peaks (2.08, 1.72, 34.03 ppm; 4.35 A): 9 out of 21 assignments used, quality = 0.87: HG3 GLU 33 + HB3 LYS 31 OK 26 58 - 45 - 1.8/4661=9, 6034/3.0=8...(12) QE MET 21 + HB3 LYS 17 OK 25 78 - 32 - 4442/2.9=7, 6155/4.6=6...(7) QE MET 21 + HB2 LYS 17 OK 25 78 - 32 - 4442/2.9=7, 6155/4.6=6...(7) HG3 GLU 33 + HB2 LYS 17 OK 21 87 - 24 - 1.8/4661=5, ~4661=4...(9) HG3 GLU 33 + HB3 LYS 17 OK 21 87 - 24 - 1.8/4661=5, ~4661=4...(9) HG2 GLU 22 + HB3 LYS 17 OK 20 97 - 21 - 4.0/6202=5, 5.0/4314=3...(7) HG2 GLU 22 + HB2 LYS 17 OK 20 97 - 21 - 4.0/6202=5, 5.0/4314=3...(7) HB2 MET 21 + HB3 LYS 17 OK 10 83 - 12 - 4.6/4314=3, 4319/4.6=2...(6) HB2 MET 21 + HB2 LYS 17 OK 10 83 - 12 - 4.6/4314=3, 4319/4.6=2...(6) HA ALA 75 - HB3 LYS 17 poor 8 68 - 11 - 5765/2.9=1, ~4676=1...(4) HA ALA 75 - HB2 LYS 17 poor 8 68 - 11 - 5765/2.9=1, ~4676=1...(4) HA ALA 75 - HB3 LYS 31 poor 7 43 - 17 - ~4603=3, 6034/3.0=2...(7) HB3 GLU 77 - HB3 LYS 17 lone 6 97 - 6 - 4.1/884=1 HB3 GLU 77 - HB2 LYS 17 lone 6 97 - 6 - 4.1/884=1 HB3 GLU 77 - HB3 LYS 31 lone 4 67 - 5 - 4.1/884=2 HG2 GLU 22 - HB3 LYS 31 lone 3 67 - 5 - HB3 GLU 25 - HB3 LYS 17 lone 2 89 - 3 - HB3 GLU 25 - HB2 LYS 17 lone 2 89 - 3 - HB2 MET 21 - HB3 LYS 31 lone 1 54 - 3 - QE MET 21 - HB3 LYS 31 lone 1 51 - 3 - HB3 GLU 25 - HB3 LYS 31 lone 1 59 - 2 - Peak 6124 from cnoeabs.peaks (1.93, 1.72, 34.03 ppm; 3.93 A): 15 out of 30 assignments used, quality = 0.95: HD2 LYS 78 + HB3 LYS 31 OK 25 71 - 35 - 3341=4, 1.8/3351=4...(15) HB2 GLU 33 + HB3 LYS 31 OK 22 62 - 36 - 3.0/4661=6, ~6034=6...(13) QE MET 48 + HB2 LYS 17 OK 19 100 - 19 - 4920/4.6=3, 4866/2.9=3...(6) QE MET 48 + HB3 LYS 17 OK 19 100 - 19 - 4920/4.6=3, 4866/2.9=3...(6) HB3 GLU 22 + HB2 LYS 17 OK 19 92 - 21 - 3.0/6202=5, ~6202=4...(7) HB3 GLU 22 + HB3 LYS 17 OK 19 92 - 21 - 3.0/6202=5, ~6202=4...(7) HB2 GLU 33 + HB2 LYS 17 OK 18 92 - 20 - 3.0/4661=3, 3912/4.6=3...(8) HB2 GLU 33 + HB3 LYS 17 OK 18 92 - 20 - 3.0/4661=3, 3912/4.6=3...(8) HD2 LYS 78 + HB3 LYS 17 OK 17 99 - 17 - 3341/1.8=2, 3341=2...(5) HD2 LYS 78 + HB2 LYS 17 OK 17 99 - 17 - 3341/1.8=2, 3341=2...(5) HB VAL 20 + HB2 LYS 17 OK 16 97 - 16 - 1491/4.0=5, 4.0/1339=2...(5) HB VAL 20 + HB3 LYS 17 OK 16 97 - 16 - 1491/4.0=5, 4.0/1339=2...(5) QE MET 48 + HB3 LYS 31 OK 15 73 - 21 - 4921/4.1=13, 2446/1.8=3 HG3 GLU 49 + HB2 LYS 17 OK 12 100 - 12 - 4940/4.6=2, ~4975=1...(4) HG3 GLU 49 + HB3 LYS 17 OK 11 100 - 11 - 4940/4.6=2, ~4975=1...(4) HB2 LEU 76 - HB2 LYS 17 lone 8 87 - 10 - HB2 LEU 76 - HB3 LYS 17 lone 8 87 - 10 - HB2 LEU 76 - HB3 LYS 31 lone 5 58 - 9 - 4607/4.1=1 HB VAL 47 - HB2 LYS 17 lone 5 100 - 5 - 4839/2.9=1 HB VAL 47 - HB3 LYS 17 lone 4 100 - 4 - 4839/2.9=1 HB3 GLU 22 - HB3 LYS 31 lone 3 62 - 5 - HG3 GLU 49 - HB3 LYS 31 lone 3 74 - 4 - 4607/4.1=1 HB VAL 20 - HB3 LYS 31 lone 3 69 - 4 - 4607/4.1=1 HG3 PRO 81 - HB2 LYS 17 lone 2 99 - 2 - HG3 PRO 81 - HB3 LYS 17 lone 2 99 - 2 - HG3 PRO 84 - HB2 LYS 17 lone 2 81 - 3 - HG3 PRO 84 - HB3 LYS 17 lone 2 81 - 3 - HG3 PRO 81 - HB3 LYS 31 lone 2 70 - 3 - HB VAL 47 - HB3 LYS 31 lone 2 73 - 2 - HG3 PRO 84 - HB3 LYS 31 lone 1 52 - 2 - Peak 6127 from cnoeabs.peaks (4.24, 4.75, 58.55 ppm; 6.20 A): 3 out of 8 assignments used, quality = 0.97: HA LEU 30 + HA VAL 50 OK 80 87 - 92 - 3.6/6125=34, ~4582=33...(13) HA ASP 53 + HA VAL 50 OK 64 99 - 65 - 2.9/2481=14, ~2496=12...(12) HA VAL 52 + HA VAL 50 OK 54 63 - 86 - ~5114=26, 5116/3.2=25...(17) HA LEU 87 - HA VAL 50 OK 23 100 - 23 - 4580/3.2=7, 5053/3.6=4...(9) HA LYS 78 - HA VAL 50 OK 18 95 - 19 - 5053/3.6=5, ~5027=3...(8) HA LEU 85 - HA VAL 50 lone 7 90 - 8 - 5053/3.6=1 HA ALA 89 - HA VAL 50 lone 6 98 - 6 - 5003/3.2=1, 5053/3.6=1 HA3 GLY 39 - HA VAL 50 lone 2 63 - 4 - Peak 6128 from cnoeabs.peaks (9.44, 4.75, 58.55 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: H GLU 33 + HA VAL 50 OK 97 100 - 97 - 6062=50, 3.6/6061=49...(12) H GLU 49 + HA VAL 50 OK 96 97 - 98 - ~211=40, 3.0/4933=37...(15) Peak 6129 from cnoeabs.peaks (6.81, 4.75, 58.55 ppm; 5.37 A): 1 out of 3 assignments used, quality = 0.94: QD TYR 32 + HA VAL 50 OK 94 95 - 99 - 3.7/6061=43, 4613/3.2=41...(18) QE TYR 70 - HA VAL 50 OK 28 100 - 28 - 5047/3.2=9, 5037/3.2=6...(6) HE21 GLN 55 - HA VAL 50 OK 18 98 - 18 - 5047/3.2=7, 5037/3.2=3...(5) Peak 6130 from cnoeabs.peaks (4.22, 4.27, 60.84 ppm; 2.94 A): 2 out of 4 assignments used, quality = 0.57: HA ASP 53 + HA VAL 52 OK 48 89 - 54 - 4.8=22, 2.9/228=21...(13) HA LEU 30 + HA VAL 52 OK 17 100 - 17 - 6131=5, 6132/3.6=3...(5) HA LEU 87 - HA VAL 52 poor 9 76 - 11 - 6131=3, 2.9/412=2, 744/3.6=2 HA3 GLY 40 - HA VAL 52 lone 1 95 - 1 - Peak 6131 from cnoeabs.peaks (4.27, 4.22, 54.95 ppm; 2.40 A): 4 out of 20 assignments used, quality = 0.63: HA VAL 52 + HA ASP 53 OK 34 86 - 39 - 6130=17, 228/2.9=14...(7) HA ALA 86 + HA LEU 87 OK 21 69 - 30 - 412/2.9=12, ~413=4...(9) HA LEU 85 + HA LEU 87 OK 19 76 - 26 - 3.6/4127=2, 3586/3.0=2...(11) HA VAL 52 + HA LEU 30 OK 14 100 - 14 - 6130=6, 3.6/744=2...(4) HA LYS 78 - HA LEU 87 poor 9 71 - 13 - 4087/2.9=2, 3.0/3298=1...(4) HA VAL 52 - HA LEU 87 lone 7 86 - 8 - 6130=3, 412/2.9=1, 3.6/744=1 HA LEU 87 - HA LEU 30 poor 7 57 - 12 - 2.9/922=1, 6033/4.0=1 HA LYS 78 - HA LEU 30 lone 6 89 - 6 - 5813/3.7=1, 6033/4.0=1 HA ALA 89 - HA LEU 30 lone 4 81 - 5 - 3.0/1876=1, 3673/2.9=1 HA LEU 85 - HA LEU 30 lone 4 93 - 4 - HA ALA 89 - HA LEU 87 lone 3 63 - 5 - HA LYS 78 - HA ASP 53 lone 3 71 - 5 - 228/2.9=1 HA LEU 85 - HA ASP 53 lone 2 75 - 3 - 228/2.9=1 HA LEU 87 - HA ASP 53 lone 2 43 - 5 - HA ALA 86 - HA LEU 30 lone 2 87 - 2 - HA ALA 86 - HA ASP 53 lone 1 69 - 1 - HA ALA 89 - HA ASP 53 lone 1 63 - 1 - HA3 GLY 39 - HA LEU 87 lone 1 86 - 1 - HA3 GLY 39 - HA LEU 30 lone 0 100 - 0 - HA3 GLY 39 - HA ASP 53 lone 0 86 - 0 - Peak 6132 from cnoeabs.peaks (9.16, 4.22, 54.95 ppm; 2.91 A): 5 out of 9 assignments used, quality = 0.93: H ASP 53 + HA ASP 53 OK 84 85 - 99 - 2.9=98, 232/3.6=12...(7) H ASP 53 + HA LEU 30 OK 30 100 - 30 - 744=8, 5133/4.0=5...(9) H VAL 50 + HA LEU 30 OK 14 100 - 15 - 4.0/4580=6, 4990/3.0=2...(6) H VAL 50 + HA ASP 53 OK 14 85 - 17 - 4.0/4580=3, 232/3.6=3...(8) H ASP 53 + HA LEU 87 OK 13 85 - 15 - 744=4, 3.6/6130=2...(5) HE ARG 27 - HA LEU 30 lone 6 76 - 8 - 4592/4.0=2 HE ARG 27 - HA ASP 53 lone 5 59 - 9 - 3977/4.8=2, ~4537=1...(5) H VAL 50 - HA LEU 87 lone 5 85 - 5 - 4.0/4580=2 HE ARG 27 - HA LEU 87 lone 1 59 - 2 - Peak 6134 from cnoeabs.peaks (8.03, 1.81, 36.41 ppm; 4.10 A): 2 out of 2 assignments used, quality = 0.75: H GLN 55 + HG2 GLU 51 OK 50 100 - 50 - 5200/3.9=25, 3.6/5077=10...(7) H GLN 55 + HG3 GLU 51 OK 50 100 - 50 - 5200/3.9=25, 3.6/5077=10...(7) Peak 6135 from cnoeabs.peaks (7.72, 4.67, 53.21 ppm; 3.65 A): 1 out of 2 assignments used, quality = 0.99: H LYS 91 + HA ASN 90 OK 99 99 - 100 - 3.6=100 H ASN 24 - HA ASN 90 poor 9 83 - 11 - 77/3.0=4, 4.6/3679=2...(4) Peak 6137 from cnoeabs.peaks (4.39, 1.62, 26.72 ppm; 4.16 A): 4 out of 20 assignments used, quality = 0.91: HA TYR 70 + HG LEU 73 OK 71 98 - 73 - 5713/2.1=17, 5608/2.1=15...(19) HA ARG 28 + HG LEU 73 OK 52 87 - 60 - 4208/3.0=11, 4206/3.0=11...(24) HA PRO 84 + HG LEU 85 OK 22 67 - 33 - 397/5.1=15, 5955/2.1=9...(5) HA PRO 84 + HG LEU 73 OK 17 78 - 22 - 5713/2.1=7, ~6147=4...(7) HA GLN 55 - HG LEU 73 OK 15 60 - 25 - 4206/3.0=5, 4208/3.0=4...(13) HA TYR 70 - HG LEU 23 OK 13 95 - 14 - 4209/4069=2, 4204/858=2...(7) HA TYR 70 - HG LEU 87 OK 12 94 - 12 - 5608/2.1=2, 4209/4069=2 HA PRO 84 - HG LEU 87 OK 12 73 - 16 - 3.6/915=6, 5955/2.1=4...(5) HA PRO 81 - HG LEU 73 OK 11 71 - 16 - 4208/3.0=3, 4206/3.0=3...(8) HA TYR 70 - HG LEU 85 poor 9 89 - 11 - 5608/2.1=2, 4209/4069=1 HA ARG 28 - HG LEU 23 lone 8 83 - 10 - ~4558=2, 1075/858=1, 4208/3179=1 HA GLN 55 - HG LEU 23 poor 8 56 - 14 - ~5171=2, ~5181=1...(5) HA ARG 28 - HG LEU 87 lone 6 82 - 7 - ~4557=1 HA ARG 28 - HG LEU 85 lone 4 76 - 5 - ~4557=1 HA GLN 55 - HG LEU 87 lone 3 56 - 6 - HA PRO 84 - HG LEU 23 lone 3 74 - 4 - HA GLN 55 - HG LEU 85 lone 2 51 - 4 - HA PRO 81 - HG LEU 87 lone 2 66 - 3 - 4446/4.9=1 HA PRO 81 - HG LEU 23 lone 2 67 - 3 - HA PRO 81 - HG LEU 85 lone 1 60 - 2 - Peak 6138 from cnoeabs.peaks (1.88, 1.67, 42.30 ppm; 4.30 A): 8 out of 9 assignments used, quality = 0.91: HG3 PRO 19 + HB3 LEU 73 OK 56 97 - 58 - 4375/3.1=11, 4348/3.9=10...(17) HB ILE 35 + HB3 LEU 73 OK 31 100 - 31 - 6140/1.8=6, 6147/3.1=4...(11) HB3 LYS 78 + HB3 LEU 73 OK 28 99 - 28 - 6116/3.1=5, 6140/1.8=5...(10) HB3 PRO 84 + HB3 LEU 73 OK 23 76 - 31 - 6140/1.8=4, 6147/3.1=4...(12) HG2 PRO 81 + HB3 LEU 73 OK 17 89 - 19 - 6140/1.8=3, 3.8/4208=3...(7) HB3 MET 11 + HB3 LEU 73 OK 15 92 - 17 - 6140/1.8=3, ~6140=2...(10) HB2 MET 11 + HB3 LEU 73 OK 15 89 - 17 - 6140/1.8=3, ~6140=2...(10) HB3 GLN 58 + HB3 LEU 73 OK 11 93 - 12 - 6140/1.8=2, 1.8/6139=1 HB3 GLU 37 - HB3 LEU 73 lone 4 90 - 4 - Peak 6139 from cnoeabs.peaks (1.97, 1.67, 42.30 ppm; 4.21 A): 4 out of 16 assignments used, quality = 0.96: HB2 PRO 19 + HB3 LEU 73 OK 60 99 - 61 - 4343/3.9=10, 2.3/6138=9...(22) HB3 PRO 19 + HB3 LEU 73 OK 57 96 - 60 - 2.3/6138=9, 4343/3.9=9...(21) HG2 PRO 19 + HB3 LEU 73 OK 55 96 - 58 - 1.8/6138=10, ~4375=7...(21) HB2 GLU 77 + HB3 LEU 73 OK 44 95 - 47 - ~6103=7, 6148/3.1=5...(18) HB2 LEU 76 - HB3 LEU 73 OK 28 68 - 41 - 4223/3.0=5, ~4225=5...(13) HB3 PRO 81 - HB3 LEU 73 OK 25 100 - 24 - 2.3/4208=4, 2.3/6138=3...(10) HB2 GLU 25 - HB3 LEU 73 OK 23 81 - 29 - ~6103=4, 4165/3.0=3...(13) HB2 LYS 78 - HB3 LEU 73 OK 23 78 - 29 - 1.8/6138=5, ~6140=4...(11) HE3 LYS 68 - HB3 LEU 73 OK 22 92 - 24 - ~6105=3, ~6104=3...(11) HG3 PRO 84 - HB3 LEU 73 OK 17 76 - 23 - 2.3/6138=4, ~6147=3...(8) HG2 PRO 84 - HB3 LEU 73 OK 16 73 - 21 - 2.3/6138=4, ~6147=3...(8) HB2 GLU 51 - HB3 LEU 73 OK 15 100 - 15 - 2510=2, 6142/3.9=1...(6) HB2 GLN 58 - HB3 LEU 73 OK 13 97 - 13 - 1.8/6138=2, ~6140=2, 6148/3.1=1 HB3 GLU 22 - HB3 LEU 73 OK 13 60 - 21 - 3.0/3176=3, ~6147=2...(10) HB2 GLU 33 - HB3 LEU 73 lone 6 60 - 10 - 4654/3.1=1, 3.0/4666=1, ~6105=1 HB2 LEU 34 - HB3 LEU 73 lone 2 76 - 3 - Peak 6140 from cnoeabs.peaks (1.88, 1.75, 42.30 ppm; 4.53 A): 8 out of 9 assignments used, quality = 0.94: HG3 PRO 19 + HB2 LEU 73 OK 61 97 - 63 - 6138/1.8=12, 4375/3.1=12...(17) HB ILE 35 + HB2 LEU 73 OK 36 100 - 36 - 6138/1.8=7, 6147/3.1=5...(11) HB3 LYS 78 + HB2 LEU 73 OK 32 99 - 33 - 6138/1.8=6, 6116/3.1=6...(10) HB3 PRO 84 + HB2 LEU 73 OK 25 76 - 33 - 6138/1.8=5, ~5713=4...(11) HG2 PRO 81 + HB2 LEU 73 OK 19 89 - 22 - 6138/1.8=4, 3.8/4206=3...(8) HB3 MET 11 + HB2 LEU 73 OK 17 92 - 19 - 6138/1.8=3, ~6138=2...(10) HB2 MET 11 + HB2 LEU 73 OK 16 89 - 18 - 6138/1.8=3, ~6138=2...(10) HB3 GLN 58 + HB2 LEU 73 OK 14 93 - 15 - 6138/1.8=2, 4.3/5319=2...(6) HB3 GLU 37 - HB2 LEU 73 lone 5 90 - 5 - Peak 6141 from cnoeabs.peaks (1.99, 1.75, 42.30 ppm; 4.21 A): 5 out of 12 assignments used, quality = 0.94: HB2 PRO 19 + HB2 LEU 73 OK 58 99 - 58 - 4343/3.9=10, 2.3/6140=8...(21) HB3 PRO 19 + HB2 LEU 73 OK 58 100 - 58 - 4343/3.9=9, 2.3/6140=8...(21) HG2 PRO 19 + HB2 LEU 73 OK 37 68 - 55 - 1.8/6140=9, ~6138=7...(19) HB2 GLU 25 + HB2 LEU 73 OK 30 99 - 30 - ~6103=4, 4165/3.0=4...(14) HB2 LYS 78 + HB2 LEU 73 OK 29 99 - 30 - 1.8/6140=5, ~6138=4...(11) HB2 GLU 77 - HB2 LEU 73 OK 29 65 - 44 - ~6103=7, ~6105=4...(16) HE3 LYS 68 - HB2 LEU 73 OK 26 100 - 26 - ~6105=3, ~6104=3...(11) HG2 PRO 84 - HB2 LEU 73 OK 21 97 - 22 - 2.3/6140=3, ~6147=3...(9) HB3 PRO 81 - HB2 LEU 73 OK 21 90 - 23 - 2.3/4206=4, ~4208=3...(11) HB2 GLU 51 - HB2 LEU 73 OK 10 87 - 12 - 1.8/3171=2, 2510/1.8=1...(4) HB2 GLN 58 - HB2 LEU 73 poor 10 71 - 13 - 1.8/6140=2, ~6138=2...(4) HB2 LEU 34 - HB2 LEU 73 lone 3 98 - 3 - Peak 6144 from cnoeabs.peaks (1.95, 1.62, 26.72 ppm; 3.63 A): 6 out of 56 assignments used, quality = 0.94: HG2 PRO 19 + HG LEU 73 OK 47 99 - 47 - ~4375=7, ~6147=6...(19) HB2 GLU 77 + HG LEU 73 OK 45 99 - 45 - ~6103=7, 3.0/5800=6...(15) HB2 LEU 76 + HG LEU 23 OK 42 96 - 44 - 4223/4.3=5, 6172/2.1=4...(18) HB2 PRO 19 + HG LEU 73 OK 30 65 - 46 - ~4375=6, ~6147=5...(19) HB VAL 20 + HG LEU 23 OK 27 88 - 31 - ~4153=6, ~4151=5...(10) HB2 LEU 76 + HG LEU 73 OK 27 99 - 27 - 4223/3.7=5, 6173/2.1=5...(10) HG3 PRO 84 - HG LEU 73 OK 18 100 - 18 - ~6147=3, 6148/2.1=3...(7) HB3 GLU 22 - HG LEU 73 OK 18 97 - 18 - 4.6/588=3, ~6147=2...(8) HB2 LEU 76 - HG LEU 87 OK 17 96 - 17 - 6173/2.1=2, ~6174=2...(6) HB3 PRO 81 - HG LEU 73 OK 13 89 - 15 - 6148/2.1=2, ~4208=1...(9) HB3 GLU 22 - HG LEU 85 OK 13 88 - 15 - ~4451=2, ~5958=2...(4) HB2 LEU 76 - HG LEU 85 OK 12 90 - 13 - 6173/2.1=2, 3227/2.1=2...(4) HG3 GLU 49 - HG LEU 23 OK 12 64 - 19 - ~1608=2, ~1615=2...(10) HB3 GLU 22 - HG LEU 87 OK 11 93 - 12 - ~4451=2, ~5958=2...(5) HB2 GLU 77 - HG LEU 23 OK 11 97 - 11 - 3849/5.1=2, 3.0/5800=2...(4) HB3 GLU 22 - HG LEU 23 OK 11 94 - 11 - 3849/5.1=6, 4222/4.3=2 QE MET 48 - HG LEU 73 OK 10 78 - 13 - 4868/2.1=3, 2447/3.0=2 HB2 GLU 77 - HG LEU 87 OK 10 96 - 10 - 3.0/5800=2, 3.0/5806=1 HB2 GLU 33 - HG LEU 73 lone 10 97 - 10 - 4654/2.1=2, ~6105=1 HG2 PRO 19 - HG LEU 85 poor 10 90 - 11 - ~4375=2, ~5958=1...(4) HB2 GLN 58 - HG LEU 73 lone 9 99 - 9 - 6148/2.1=1 QE MET 48 - HG LEU 23 poor 9 74 - 12 - 4868/2.1=3, ~4857=1...(4) HB2 GLU 51 - HG LEU 73 lone 8 92 - 9 - 6148/2.1=1, 2510/3.0=1, ~3199=1 HG3 PRO 84 - HG LEU 85 lone 8 92 - 9 - 4118/5.1=3, ~5958=2, 3.8/5954=2 HB2 GLU 77 - HG LEU 85 lone 7 91 - 7 - 3.0/5800=1 HB2 PRO 19 - HG LEU 85 poor 6 55 - 12 - ~4365=1, ~4375=1...(4) HB3 PRO 81 - HG LEU 23 lone 6 85 - 7 - ~4153=3, ~4151=2 HG2 PRO 19 - HG LEU 87 lone 6 96 - 6 - HG3 GLU 49 - HG LEU 85 lone 5 58 - 9 - HG2 PRO 19 - HG LEU 23 lone 5 96 - 5 - 74/5.1=1 HB2 GLN 58 - HG LEU 85 lone 5 89 - 5 - HB2 GLU 51 - HG LEU 23 lone 5 88 - 5 - ~5061=1 HG3 PRO 84 - HG LEU 23 lone 4 98 - 5 - HB2 GLU 33 - HG LEU 23 lone 4 94 - 5 - HB2 PRO 19 - HG LEU 87 lone 4 61 - 7 - HG3 PRO 84 - HG LEU 87 lone 4 97 - 4 - ~5958=1 HB VAL 47 - HG LEU 73 lone 4 78 - 4 - HG3 GLU 49 - HG LEU 73 lone 3 68 - 5 - QE MET 48 - HG LEU 85 lone 3 67 - 4 - HB VAL 47 - HG LEU 85 lone 3 67 - 4 - HB2 GLU 33 - HG LEU 85 lone 3 88 - 3 - HB2 GLN 58 - HG LEU 23 lone 3 96 - 3 - HB2 PRO 19 - HG LEU 23 lone 3 62 - 4 - HB VAL 20 - HG LEU 73 lone 2 92 - 3 - QE MET 48 - HG LEU 87 lone 2 73 - 3 - HG3 GLU 49 - HG LEU 87 lone 2 63 - 4 - HB2 GLU 33 - HG LEU 87 lone 2 93 - 2 - HB VAL 20 - HG LEU 87 lone 2 87 - 2 - HB2 GLN 58 - HG LEU 87 lone 2 95 - 2 - HB VAL 47 - HG LEU 87 lone 2 73 - 3 - HB VAL 20 - HG LEU 85 lone 2 81 - 2 - HB2 GLU 51 - HG LEU 87 lone 2 87 - 2 - HB3 PRO 81 - HG LEU 85 lone 2 77 - 2 - HB3 PRO 81 - HG LEU 87 lone 2 84 - 2 - HB2 GLU 51 - HG LEU 85 lone 1 81 - 2 - HB VAL 47 - HG LEU 23 lone 1 74 - 2 - Peak 6145 from cnoeabs.peaks (1.87, 0.78, 24.28 ppm; 3.56 A): 9 out of 24 assignments used, quality = 0.91: HG3 PRO 19 + QD1 LEU 73 OK 49 100 - 49 - 4375/2.1=9, 4376=9...(15) HB3 LYS 78 + QD1 LEU 73 OK 35 100 - 35 - 6116=5, 2.8/5815=4...(13) HB ILE 35 + QD1 LEU 73 OK 29 99 - 29 - 6147/2.1=5, 3.0/5713=5...(9) HB3 PRO 84 + QD1 LEU 73 OK 27 95 - 28 - 2.3/5713=6, 6147/2.1=5...(8) HG2 PRO 81 + QD1 LEU 73 OK 14 99 - 14 - 6147/2.1=2, 6138/3.1=2...(5) HB2 GLU 22 + QD1 LEU 73 OK 13 71 - 18 - 4.6/590=3, 6147/2.1=3...(7) HB3 MET 11 + QD1 LEU 73 OK 12 71 - 16 - 4.3/4243=6, 6138/3.1=1 HB2 MET 11 + QD1 LEU 73 OK 11 65 - 16 - 4.3/4243=6, 6138/3.1=1...(4) HB VAL 66 + QD1 LEU 73 OK 10 71 - 14 - 2.1/6100=3, 4.0/5705=3...(5) HG3 PRO 19 - HG2 LYS 26 poor 7 41 - 17 - 4376=2, 4375/3.0=2...(7) HB3 GLN 58 - QD1 LEU 73 lone 7 73 - 9 - 6140/3.1=1, 6138/3.1=1 HB2 GLU 49 - QD1 LEU 73 lone 5 78 - 6 - 6147/2.1=1 HB3 GLU 37 - QD1 LEU 73 lone 4 99 - 4 - HB2 GLU 22 - HG2 LYS 26 poor 4 24 - 18 - ~6161=4, ~4459=3...(8) HB ILE 35 - HG2 LYS 26 lone 4 40 - 8 - HB3 LYS 78 - HG2 LYS 26 lone 3 41 - 7 - HB3 GLU 37 - HG2 LYS 26 lone 2 40 - 4 - HB3 PRO 84 - HG2 LYS 26 lone 2 36 - 4 - HB2 GLU 49 - HG2 LYS 26 lone 1 27 - 5 - HB VAL 66 - HG2 LYS 26 lone 1 24 - 5 - HG2 PRO 81 - HG2 LYS 26 lone 1 40 - 2 - HB3 MET 11 - HG2 LYS 26 lone 1 24 - 3 - HB2 MET 11 - HG2 LYS 26 lone 1 21 - 3 - HB3 GLN 58 - HG2 LYS 26 lone 1 25 - 2 - Peak 6146 from cnoeabs.peaks (1.97, 0.78, 24.28 ppm; 3.38 A): 5 out of 34 assignments used, quality = 0.91: HG2 PRO 19 + QD1 LEU 73 OK 43 99 - 44 - 1.8/4376=7, ~4375=6...(19) HB2 PRO 19 + QD1 LEU 73 OK 42 95 - 45 - 2.3/4376=6, 4343/4.4=5...(20) HB2 GLU 77 + QD1 LEU 73 OK 42 99 - 43 - 3.0/6103=10, 3.0/5804=6...(16) HB3 PRO 19 + QD1 LEU 73 OK 38 89 - 43 - 2.3/4376=6, 4343/4.4=5...(19) HB2 LEU 76 + QD1 LEU 73 OK 23 81 - 29 - 4.6/5705=4, ~6174=3...(11) HB2 LYS 78 - QD1 LEU 73 OK 19 65 - 29 - 1.8/6145=5, 2.8/5815=4...(13) HE3 LYS 68 - QD1 LEU 73 OK 18 83 - 22 - 1.8/6104=3, 3.7/6107=3...(9) HG3 PRO 84 - QD1 LEU 73 OK 17 87 - 20 - 3.8/5713=4, 2.3/6145=3...(6) HB2 GLU 25 - QD1 LEU 73 OK 17 68 - 25 - 3.0/6103=5, 3.0/6104=3...(10) HB3 PRO 81 - QD1 LEU 73 OK 15 100 - 15 - 6148/2.1=2, 2.3/6145=2...(6) HB3 GLU 22 - QD1 LEU 73 OK 14 73 - 18 - 4.6/590=3, 3.0/3190=2...(6) HB2 LEU 76 - HG2 LYS 26 OK 11 28 - 39 - ~6174=4, ~6114=4...(17) HG2 PRO 84 - QD1 LEU 73 OK 11 60 - 18 - 3.8/5713=4, 2.3/6145=3...(6) HB2 GLU 51 - QD1 LEU 73 lone 10 100 - 9 - 1.8/3192=1, 6148/2.1=1 HB2 GLN 58 - QD1 LEU 73 lone 9 99 - 9 - 6148/2.1=1 HE3 LYS 68 - HG2 LYS 26 poor 9 29 - 30 - 5566=4, 3106/2.9=3...(15) HB2 GLU 33 - QD1 LEU 73 lone 7 73 - 9 - 4654/2.1=1, 3.0/6104=1 HB2 PRO 19 - HG2 LYS 26 poor 7 36 - 19 - 2.3/4376=2, 4371/3.0=1...(7) HB3 PRO 19 - HG2 LYS 26 poor 6 32 - 19 - 2.3/4376=2, 4371/3.0=1...(7) HG2 PRO 19 - HG2 LYS 26 poor 5 40 - 13 - 1.8/4376=2, ~4375=1...(4) HB2 GLU 25 - HG2 LYS 26 poor 5 23 - 21 - 3862/4.9=8, ~6161=3...(7) HB3 GLU 22 - HG2 LYS 26 poor 4 25 - 17 - ~6161=3, ~4459=3...(5) HB2 GLU 77 - HG2 LYS 26 poor 4 39 - 11 - 3.0/5802=2, 4.0/5808=1 HB2 LEU 34 - HG2 LYS 26 poor 4 20 - 19 - ~2088=2, ~4676=2...(5) HB VAL 20 - HG2 LYS 26 poor 4 19 - 18 - ~4397=3, ~4398=2...(10) HB VAL 20 - QD1 LEU 73 lone 2 60 - 3 - HB2 GLU 51 - HG2 LYS 26 lone 2 41 - 4 - HB2 LYS 78 - HG2 LYS 26 lone 1 21 - 6 - HB2 LEU 34 - QD1 LEU 73 lone 1 63 - 2 - HG3 PRO 84 - HG2 LYS 26 lone 1 31 - 3 - HB2 GLN 58 - HG2 LYS 26 lone 1 40 - 2 - HB3 PRO 81 - HG2 LYS 26 lone 1 41 - 2 - HB2 GLU 33 - HG2 LYS 26 lone 1 25 - 3 - HG2 PRO 84 - HG2 LYS 26 lone 1 19 - 3 - Peak 6147 from cnoeabs.peaks (1.86, 0.84, 24.71 ppm; 3.59 A): 7 out of 9 assignments used, quality = 0.86: HG3 PRO 19 + QD2 LEU 73 OK 48 98 - 49 - 4375=11, 4376/2.1=7...(16) HB ILE 35 + QD2 LEU 73 OK 28 92 - 31 - 3.0/5714=6, 6145/2.1=4...(13) HB3 PRO 84 + QD2 LEU 73 OK 27 100 - 27 - 2.3/5714=6, 6145/2.1=4...(8) HB3 LYS 78 + QD2 LEU 73 OK 20 96 - 21 - 6145/2.1=5, ~5815=2...(8) HB2 GLU 22 + QD2 LEU 73 OK 15 90 - 17 - 3.0/3197=3, 1.8/6148=2...(6) HG2 PRO 81 + QD2 LEU 73 OK 12 100 - 12 - 2.3/6148=2, 6145/2.1=2...(4) HB VAL 66 + QD2 LEU 73 OK 11 90 - 12 - 2.1/4280=2, ~6100=2...(5) HB2 GLU 49 - QD2 LEU 73 lone 7 95 - 7 - HB3 GLU 37 - QD2 LEU 73 lone 4 100 - 4 - Peak 6148 from cnoeabs.peaks (1.96, 0.84, 24.71 ppm; 3.33 A): 9 out of 13 assignments used, quality = 0.93: HG2 PRO 19 + QD2 LEU 73 OK 39 100 - 40 - 1.8/6147=9, ~4376=4...(18) HB2 GLU 77 + QD2 LEU 73 OK 36 100 - 37 - ~6103=5, 3.0/6105=5...(13) HB2 PRO 19 + QD2 LEU 73 OK 34 87 - 39 - 2.3/6147=8, 4343/4.4=4...(19) HB3 PRO 19 + QD2 LEU 73 OK 30 78 - 38 - 2.3/6147=8, 4343/4.4=4...(18) HB2 LEU 76 + QD2 LEU 73 OK 25 90 - 28 - 1.8/6174=5, 6173=4...(10) HG3 PRO 84 + QD2 LEU 73 OK 18 95 - 19 - 2.3/6147=4, 3.8/5714=3...(6) HB3 PRO 81 + QD2 LEU 73 OK 14 99 - 14 - 2.3/6147=2, 6146/2.1=1...(5) HB3 GLU 22 + QD2 LEU 73 OK 14 85 - 16 - 1.8/6147=3, 3.0/3197=2...(6) HE3 LYS 68 + QD2 LEU 73 OK 12 71 - 17 - 1.8/6105=2, ~6104=2...(7) HB2 GLN 58 - QD2 LEU 73 lone 10 100 - 10 - HB2 GLU 33 - QD2 LEU 73 poor 9 85 - 11 - 4654=2, 3.0/6105=1 HB2 GLU 51 - QD2 LEU 73 lone 8 99 - 8 - 1.8/3199=2 HB VAL 20 - QD2 LEU 73 lone 2 73 - 3 - Peak 6149 from cnoeabs.peaks (8.78, 0.66, 22.70 ppm; 5.13 A): 4 out of 4 assignments used, quality = 0.92: H ASN 18 + QD2 LEU 12 OK 81 100 - 81 - 3.0/4258=45, 4318=23...(10) H LEU 34 + QD2 LEU 12 OK 41 99 - 41 - 4.2/4653=11, 4.6/674=10...(13) H PHE 57 + QD2 LEU 12 OK 22 93 - 24 - 4318=3, 4.6/1197=2...(10) H GLY 54 + QD2 LEU 12 OK 10 100 - 10 - 3.0/4272=2, ~4268=1 Peak 6151 from cnoeabs.peaks (0.83, 4.33, 60.93 ppm; 3.47 A): 2 out of 7 assignments used, quality = 0.48: QD2 LEU 73 + HA THR 13 OK 41 100 - 42 - 5714=17, 2.1/6152=11...(7) QG2 ILE 35 + HA THR 13 OK 11 97 - 12 - ~19=3, 2125=2...(4) QG2 VAL 47 - HA THR 13 lone 9 99 - 9 - 4841/3.2=3, 4279/3.0=2 QG1 VAL 47 - HA THR 13 lone 8 95 - 9 - ~4279=2, ~4841=1, 4841/3.2=1 HD2 LYS 26 - HA THR 13 lone 7 92 - 8 - 3.0/6152=2, 4279/3.0=1 QD2 LEU 85 - HA THR 13 lone 4 100 - 4 - 4.7/4286=1 QD2 LEU 87 - HA THR 13 lone 4 98 - 4 - 2.1/4284=1 Peak 6152 from cnoeabs.peaks (0.77, 4.33, 60.93 ppm; 3.82 A): 2 out of 8 assignments used, quality = 0.61: QD1 LEU 73 + HA THR 13 OK 41 100 - 41 - 2.1/6151=19, 2.1/4284=12...(6) QD1 LEU 12 + HA THR 13 OK 35 63 - 55 - ~3802=15, 3801/3.0=9...(12) QD2 LEU 79 - HA THR 13 lone 8 97 - 9 - ~18=2, ~17=2 HG2 LYS 26 - HA THR 13 poor 8 68 - 12 - 3.0/6151=3, 6100/3.2=2...(4) QD1 LEU 30 - HA THR 13 lone 7 100 - 6 - 3201/6151=1, 6100/3.2=1 QD1 LEU 23 - HA THR 13 lone 4 93 - 5 - 3201/6151=1, 2.1/4284=1 HG3 LYS 68 - HA THR 13 lone 3 60 - 6 - ~16=2, ~15=1 QG1 VAL 20 - HA THR 13 lone 3 63 - 5 - 18/3.0=1, ~18=1 Peak 6153 from cnoeabs.peaks (2.08, 1.10, 21.44 ppm; 4.85 A): 5 out of 21 assignments used, quality = 0.68: HG2 GLU 22 + QG1 VAL 66 OK 31 73 - 43 - 4463=15, 1.8/4460=10...(10) HG2 GLU 22 + QG2 THR 13 OK 29 96 - 30 - 4463=11, 1.8/4460=8...(5) HG2 GLU 22 + QG2 THR 38 OK 19 57 - 33 - 4463=9, 1.8/4460=8...(6) HG3 GLU 33 + QG1 VAL 66 OK 11 62 - 18 - 3.0/4652=12 HG3 GLU 33 + QG2 THR 38 OK 10 48 - 21 - 3.0/4652=13, 2063/3.2=2...(4) HG3 GLU 33 - QG2 THR 13 poor 10 85 - 12 - 3.0/4652=8 HB3 GLU 77 - QG1 VAL 66 lone 7 73 - 10 - 3269/4.0=3, 4.0/3012=1 HB3 GLU 77 - QG2 THR 13 lone 6 96 - 7 - HA ALA 75 - QG2 THR 13 lone 5 65 - 8 - 2.1/4280=2, ~4279=1 HA ALA 75 - QG1 VAL 66 lone 5 46 - 10 - 4234/4.0=2, 2.1/4280=2 HB3 GLU 25 - QG2 THR 13 lone 4 90 - 5 - HB3 GLU 77 - QG2 THR 38 lone 3 57 - 6 - 1.8/4453=1 HB3 GLU 25 - QG1 VAL 66 lone 3 67 - 4 - HB2 MET 21 - QG2 THR 13 lone 3 81 - 3 - HB2 MET 21 - QG1 VAL 66 lone 2 58 - 4 - QE MET 21 - QG2 THR 13 lone 2 76 - 3 - QE MET 21 - QG1 VAL 66 lone 2 54 - 3 - HA ALA 75 - QG2 THR 38 lone 2 35 - 5 - HB3 GLU 25 - QG2 THR 38 lone 2 52 - 3 - HB2 MET 21 - QG2 THR 38 lone 1 45 - 3 - QE MET 21 - QG2 THR 38 lone 1 41 - 3 - Peak 6154 from cnoeabs.peaks (3.86, 1.94, 31.44 ppm; 5.54 A): 3 out of 8 assignments used, quality = 0.90: HA ALA 69 + HB VAL 20 OK 81 97 - 83 - 4404/2.1=27, 6190/4.0=26...(11) HA GLU 77 + HB VAL 20 OK 44 96 - 46 - 4404/2.1=10, ~362=6...(16) HA3 GLY 29 + HB VAL 20 OK 10 96 - 11 - 4404/2.1=3, 4390/3.0=2 HA ALA 69 - HB2 GLN 58 poor 10 61 - 16 - 5576/1.8=2, 3.6/5591=2...(6) HA GLU 77 - HB2 GLN 58 lone 5 59 - 9 - HA2 GLY 29 - HB VAL 20 lone 5 63 - 7 - ~4404=3, ~4390=2 HA3 GLY 29 - HB2 GLN 58 lone 3 59 - 5 - 1063/5647=1 HA2 GLY 29 - HB2 GLN 58 lone 1 34 - 3 - Peak 6155 from cnoeabs.peaks (8.78, 2.06, 17.06 ppm; 6.20 A): 4 out of 4 assignments used, quality = 0.88: H ASN 18 + QE MET 21 OK 77 100 - 77 - 5.7/4427=28, 5.7/1541=15...(12) H PHE 57 + QE MET 21 OK 23 87 - 27 - 4.6/4443=6, 4.6/3846=5...(5) H LEU 34 + QE MET 21 OK 20 96 - 21 - 153=3, 153/4.2=2...(6) H GLY 54 + QE MET 21 OK 13 100 - 13 - 5159/4.2=4, 5159/1544=2 Peak 6156 from cnoeabs.peaks (7.27, 3.93, 57.73 ppm; 4.01 A): 2 out of 2 assignments used, quality = 0.79: H LYS 26 + HA LEU 23 OK 70 100 - 70 - 4526=24, 4488/3.6=24...(16) H LYS 26 + HA LEU 73 OK 30 80 - 38 - 4526=9, 4.0/4521=5...(15) Peak 6158 from cnoeabs.peaks (8.20, 3.94, 58.16 ppm; 4.71 A): 4 out of 4 assignments used, quality = 0.82: H LEU 79 + HA LEU 76 OK 69 100 - 69 - 4.6/5788=15, 5855/3.0=14...(19) H LEU 87 + HA LEU 76 OK 22 100 - 22 - 4.6/4076=3, 411/3.6=3...(8) H LYS 56 + HA LEU 76 OK 16 99 - 16 - 5744/5.0=4, 4715/4701=2...(6) HE21 GLN 58 + HA LEU 76 OK 10 89 - 11 - 5744/5.0=1, 500/2.9=1 Peak 6159 from cnoeabs.peaks (1.31, 3.93, 57.73 ppm; 4.28 A): 5 out of 16 assignments used, quality = 0.89: HB2 LYS 26 + HA LEU 23 OK 61 100 - 61 - 4.0/6156=19, 4521=13...(16) HB2 LYS 26 + HA LEU 73 OK 37 79 - 47 - 4521=10, 4.0/6156=8...(17) HB3 LYS 68 + HA LEU 23 OK 28 81 - 35 - 3048/3.9=4, 3045/4.3=3...(16) HB VAL 50 + HA LEU 23 OK 28 97 - 29 - 5006/3.9=10, 5007/3.9=7...(6) HB3 LYS 68 + HA LEU 73 OK 12 58 - 21 - 3045/3.7=2, ~5540=2...(10) HB VAL 50 - HA LEU 73 lone 7 74 - 9 - 5008/4.5=3, 5006/1614=1, ~5019=1 HG3 LYS 31 - HA LEU 73 lone 5 70 - 7 - ~5711=1 QB ALA 60 - HA LEU 23 lone 5 100 - 5 - HG3 LYS 31 - HA LEU 23 lone 5 93 - 5 - QB ALA 60 - HA LEU 73 lone 5 79 - 6 - 5369/3.9=2, 3.6/4221=1 HG3 ARG 45 - HA LEU 23 lone 4 100 - 4 - HD3 LYS 44 - HA LEU 23 lone 4 76 - 5 - QB ALA 86 - HA LEU 23 lone 3 65 - 4 - ~71=1 HG3 ARG 45 - HA LEU 73 lone 3 79 - 3 - HD3 LYS 44 - HA LEU 73 lone 2 54 - 4 - QB ALA 86 - HA LEU 73 lone 2 45 - 4 - 2.9/4226=1 Peak 6160 from cnoeabs.peaks (1.50, 3.93, 57.73 ppm; 3.63 A): 4 out of 26 assignments used, quality = 0.93: QB ALA 72 + HA LEU 73 OK 61 80 - 77 - 4.5=51, 4065/3.0=20...(9) QB ALA 72 + HA LEU 23 OK 48 100 - 48 - 6102/3.0=12, 5672/3.0=10...(14) HG LEU 79 + HA LEU 23 OK 43 81 - 53 - 3.0/1581=5, 2.1/1584=5...(19) HB3 LYS 26 + HA LEU 23 OK 38 78 - 48 - 4.0/6156=13, 1.8/6159=8...(15) QB ALA 71 - HA LEU 73 OK 21 52 - 41 - 5633/3.6=8, 5622/3.0=7...(11) HB3 LYS 26 - HA LEU 73 OK 19 56 - 35 - 1.8/4521=6, 4.0/6156=6...(15) HB2 LEU 85 - HA LEU 23 OK 17 89 - 19 - 4478/3.9=2, 3.1/1583=1...(9) HD2 LYS 17 - HA LEU 23 OK 16 95 - 17 - 3.0/1581=2, 3.0/1581=1...(5) HD3 LYS 17 - HA LEU 23 OK 16 95 - 17 - 3.0/1581=2, 3.0/1581=1...(5) HB2 LYS 56 - HA LEU 23 OK 14 100 - 14 - 4467/3.0=1, 4478/3.9=1...(5) HB2 LEU 85 - HA LEU 73 OK 12 65 - 18 - 342/3.0=2, 3.0/3183=1...(7) HG3 ARG 27 - HA LEU 73 OK 12 56 - 21 - 342/3.0=2, ~5711=2...(7) QB ALA 71 - HA LEU 23 OK 10 73 - 14 - 5661/3.9=2, 5660/3.9=2 HG3 ARG 27 - HA LEU 23 poor 9 78 - 11 - 6076/3.9=3, 4490/3.6=1 HG LEU 79 - HA LEU 73 poor 6 58 - 11 - 342/3.0=1, 2.1/1584=1...(4) HB2 LYS 56 - HA LEU 73 lone 5 79 - 6 - 342/3.0=1, ~5711=1 HG2 GLU 37 - HA LEU 23 lone 5 99 - 5 - HG LEU 34 - HA LEU 23 lone 5 85 - 5 - HD3 LYS 64 - HA LEU 23 lone 3 63 - 5 - HD2 LYS 17 - HA LEU 73 lone 3 71 - 3 - HD3 LYS 17 - HA LEU 73 lone 3 71 - 3 - HB2 ARG 45 - HA LEU 23 lone 2 95 - 3 - HG2 GLU 37 - HA LEU 73 lone 2 78 - 3 - HG LEU 34 - HA LEU 73 lone 2 61 - 3 - HB2 ARG 45 - HA LEU 73 lone 1 71 - 2 - HD3 LYS 64 - HA LEU 73 lone 1 43 - 3 - Peak 6161 from cnoeabs.peaks (2.11, 1.21, 23.98 ppm; 5.38 A): 4 out of 6 assignments used, quality = 0.85: HG3 GLU 22 + HG3 LYS 26 OK 51 99 - 52 - 4459=14, ~4464=6...(14) HB3 GLU 25 + HG3 LYS 26 OK 42 90 - 46 - 4.6/1708=24, 4.1/4502=7...(12) HG3 GLU 22 + HG2 LYS 14 OK 42 98 - 42 - 4460/1.8=13, 4459=11...(6) HB3 GLU 25 + HG2 LYS 14 OK 11 89 - 12 - 4.6/1708=8, 4.1/4502=2 HG3 GLU 22 - HG3 LYS 44 lone 3 59 - 5 - HB3 GLU 25 - HG3 LYS 44 lone 3 49 - 6 - 4.6/1708=3 Peak 6162 from cnoeabs.peaks (2.07, 0.75, 23.98 ppm; 6.17 A): 5 out of 14 assignments used, quality = 0.94: HG2 GLU 22 + HG2 LYS 26 OK 64 100 - 64 - ~6161=13, ~4459=11...(17) HB3 GLU 25 + HG2 LYS 26 OK 42 71 - 60 - 4.6/1698=36, 4528/3.9=6...(12) HB3 GLU 77 + HG2 LYS 26 OK 38 100 - 38 - 3863/4.9=6, 4528/3.9=4...(12) HA ALA 75 + HG2 LYS 26 OK 33 87 - 38 - ~6108=8, 5764=3, ~1694=3...(16) HB3 GLU 77 + QD1 LEU 73 OK 30 41 - 72 - ~6105=12, 3.0/5802=12...(16) HB2 MET 21 - HG2 LYS 26 OK 24 96 - 25 - 1.8/4439=4, 2.9/4437=3...(8) QE MET 21 - HG2 LYS 26 OK 22 93 - 23 - 4.2/4439=3, 3.4/4437=3...(8) HG3 GLU 33 - HG2 LYS 26 OK 16 97 - 16 - 4528/3.9=2, 4528/3.9=2...(5) HA ALA 75 - QD1 LEU 73 OK 14 31 - 46 - ~5750=9, ~5701=7, ~352=6...(12) HB3 GLU 25 - QD1 LEU 73 OK 11 24 - 47 - ~6105=8, 4.1/4504=7...(15) HG2 GLU 22 - QD1 LEU 73 OK 10 41 - 25 - ~6147=4, 4464/2.1=3...(6) HG3 GLU 33 - QD1 LEU 73 poor 9 38 - 23 - ~6105=4, ~4657=3...(6) HB2 MET 21 - QD1 LEU 73 lone 3 37 - 7 - 1518/5802=2 QE MET 21 - QD1 LEU 73 lone 2 35 - 7 - 1546/5802=1 Peak 6163 from cnoeabs.peaks (2.26, 1.23, 26.82 ppm; 6.20 A): 2 out of 4 assignments used, quality = 1.00: HG3 GLN 58 + HG13 ILE 35 OK 97 97 - 100 - ~4742=45, 1.8/6164=42...(39) HB2 PRO 84 + HG13 ILE 35 OK 89 97 - 92 - 4743/2.1=20, 6165/1.8=16...(33) HG3 MET 11 - HG13 ILE 35 OK 28 92 - 30 - 6165/1.8=5, 4743/2.1=5...(8) HB2 PRO 81 - HG13 ILE 35 OK 16 60 - 27 - 2758/6164=4, 511/4722=4...(9) Peak 6164 from cnoeabs.peaks (2.40, 1.23, 26.82 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: HG2 GLN 58 + HG13 ILE 35 OK 99 99 - 100 - 4742/2.1=50, 5278/1.8=43...(43) Peak 6165 from cnoeabs.peaks (2.25, 1.14, 26.82 ppm; 5.89 A): 2 out of 4 assignments used, quality = 0.98: HB2 PRO 84 + HG12 ILE 35 OK 92 100 - 92 - 4743/2.1=20, 2.3/2132=14...(36) HG3 GLN 58 + HG12 ILE 35 OK 78 78 - 100 - ~4742=42, 1.8/5278=42...(39) HE2 LYS 68 - HG12 ILE 35 OK 37 65 - 57 - 3.0/2136=8, 3.0/2136=8...(16) HG3 MET 11 - HG12 ILE 35 OK 31 100 - 31 - 4743/2.1=5, 6163/1.8=4...(11) Peak 6166 from cnoeabs.peaks (3.76, 1.42, 27.58 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.60: HB2 SER 36 + HD2 LYS 44 OK 40 100 - 40 - 4793/5.8=13, 4.0/2296=10...(6) HA LYS 65 + HD2 LYS 44 OK 34 78 - 43 - 4793/5.8=9, 4178/1.8=4...(18) HA2 GLY 40 - HD2 LYS 44 lone 8 99 - 9 - 4793/5.8=5 Peak 6167 from cnoeabs.peaks (0.83, 1.32, 27.31 ppm; 5.69 A): 6 out of 14 assignments used, quality = 0.89: QG2 VAL 47 + HG3 ARG 45 OK 48 99 - 49 - 4840/1.8=13, 4842/3.0=9...(9) QG1 VAL 47 + HG3 ARG 45 OK 44 95 - 47 - ~4840=12, 4840/1.8=7...(9) HD2 LYS 26 + HG3 ARG 45 OK 27 92 - 29 - 3.6/1690=3, 1720=3...(13) HD2 LYS 26 + HD3 LYS 44 OK 23 39 - 60 - 3.6/1690=6, 3.0/1700=6...(25) QG2 ILE 35 + HG3 ARG 45 OK 22 97 - 22 - ~2336=3, 3.2/2343=3...(10) QG2 ILE 35 + HD3 LYS 44 OK 14 43 - 33 - 3924/5.8=9, 2125/4.8=5...(9) QD2 LEU 73 - HG3 ARG 45 lone 9 100 - 8 - 5714/3.7=1 QG2 VAL 47 - HD3 LYS 44 poor 9 46 - 19 - 4840/3.0=6, 5971/5.8=4...(5) QD2 LEU 85 - HG3 ARG 45 lone 8 100 - 8 - QD2 LEU 87 - HG3 ARG 45 lone 7 98 - 7 - QG1 VAL 47 - HD3 LYS 44 poor 7 41 - 16 - ~4840=4, 5973/5.8=3...(4) QD2 LEU 73 - HD3 LYS 44 lone 5 46 - 10 - ~6107=1, 5714/4.8=1 QD2 LEU 87 - HD3 LYS 44 lone 4 44 - 8 - QD2 LEU 85 - HD3 LYS 44 lone 3 47 - 6 - Peak 6168 from cnoeabs.peaks (1.87, 0.82, 20.93 ppm; 3.21 A): 5 out of 24 assignments used, quality = 0.93: HB ILE 35 + QG1 VAL 47 OK 67 99 - 68 - 3.2/4837=12, 2120=11...(26) HB3 GLN 58 + QG1 VAL 47 OK 40 73 - 55 - 2.9/6193=11, 2.9/5975=9...(18) HB ILE 35 + QG2 VAL 47 OK 34 54 - 62 - 2120=9, 2120/2.1=8...(24) HB2 GLU 49 + QG1 VAL 47 OK 30 78 - 39 - 1.8/4969=4, 3.7/4955=4...(19) HG2 PRO 81 + QG1 VAL 47 OK 24 99 - 24 - 5914/3.2=4, ~5908=3...(10) HB3 GLN 58 - QG2 VAL 47 OK 17 34 - 50 - ~6193=6, ~5975=6...(17) HB3 PRO 84 - QG1 VAL 47 OK 13 95 - 14 - 1.8/6192=2 HB2 GLU 49 - QG2 VAL 47 OK 12 37 - 33 - 4964/2.1=3, ~4969=3...(18) HG2 PRO 81 - QG2 VAL 47 OK 12 54 - 22 - 5914/3.2=4, ~5908=3...(9) HG3 PRO 19 - QG1 VAL 47 lone 8 100 - 8 - 4375/2.1=1, 4375=1 HB3 LYS 78 - QG1 VAL 47 lone 6 100 - 6 - HB3 PRO 84 - QG2 VAL 47 poor 5 49 - 11 - ~6192=2, 1.8/6192=1 HB VAL 66 - QG1 VAL 47 lone 4 71 - 5 - ~4841=2, ~4838=1 HG3 PRO 19 - QG2 VAL 47 lone 4 56 - 6 - 4375=1, 4375/2.1=1 HB3 GLU 37 - QG1 VAL 47 lone 3 99 - 3 - HB3 LYS 78 - QG2 VAL 47 lone 3 56 - 4 - HB2 GLU 22 - QG1 VAL 47 lone 2 71 - 3 - HB3 MET 11 - QG1 VAL 47 lone 2 71 - 3 - HB2 MET 11 - QG1 VAL 47 lone 2 65 - 3 - HB VAL 66 - QG2 VAL 47 lone 1 33 - 4 - ~4838=1 HB3 GLU 37 - QG2 VAL 47 lone 1 54 - 2 - HB2 GLU 22 - QG2 VAL 47 lone 1 33 - 3 - HB3 MET 11 - QG2 VAL 47 lone 1 33 - 2 - HB2 MET 11 - QG2 VAL 47 lone 1 30 - 2 - Peak 6169 from cnoeabs.peaks (1.85, 0.84, 20.61 ppm; 3.72 A): 7 out of 18 assignments used, quality = 0.94: HB ILE 35 + QG2 VAL 47 OK 62 85 - 73 - ~4838=11, 3.0/4841=10...(25) HB2 GLU 49 + QG2 VAL 47 OK 41 98 - 42 - 4964/2.1=6, 2462/2.1=4...(19) HG2 PRO 81 + QG2 VAL 47 OK 31 99 - 31 - 5914/3.2=6, ~5908=4...(10) HB ILE 35 + QG1 VAL 47 OK 29 41 - 71 - ~4838=11, 2120=8...(25) HB2 GLU 49 + QG1 VAL 47 OK 23 52 - 43 - 4964=4, 2462/2.1=4...(21) HG2 PRO 81 + QG1 VAL 47 OK 17 54 - 30 - 5914/3.2=6, ~5908=4...(10) HB3 PRO 84 + QG2 VAL 47 OK 16 100 - 16 - ~6192=3, 3554/2.1=1 HB VAL 66 - QG2 VAL 47 lone 9 96 - 10 - 2.1/4841=4, ~4838=2, ~4841=1 HG3 PRO 19 - QG2 VAL 47 lone 9 95 - 10 - 4375=2, 4375/2.1=2 HB3 PRO 84 - QG1 VAL 47 poor 8 56 - 15 - ~6192=1, 1.8/6192=1, 3554/2.1=1 HB3 LYS 78 - QG2 VAL 47 lone 5 90 - 6 - HB2 GLU 22 - QG2 VAL 47 lone 5 96 - 5 - HB VAL 66 - QG1 VAL 47 lone 5 50 - 9 - ~4841=2, ~4838=2, 2.1/4841=2 HG3 PRO 19 - QG1 VAL 47 lone 5 49 - 9 - 4375=2, 4375/2.1=2 HB3 GLU 37 - QG2 VAL 47 lone 4 99 - 4 - HB3 LYS 78 - QG1 VAL 47 lone 3 45 - 6 - HB2 GLU 22 - QG1 VAL 47 lone 2 50 - 5 - HB3 GLU 37 - QG1 VAL 47 lone 2 54 - 3 - Peak 6170 from cnoeabs.peaks (8.88, 1.84, 31.97 ppm; 5.59 A): 2 out of 8 assignments used, quality = 0.76: H SER 62 + HB VAL 66 OK 58 98 - 59 - 4.6/5392=27, 5388/2.1=19...(6) H LYS 14 + HB VAL 66 OK 44 100 - 44 - 23/2.1=9, 4.3/6096=8...(10) H SER 62 - HB3 GLU 37 poor 7 74 - 10 - 4.6/5392=4, 3.6/6096=2...(4) H LYS 14 - HB2 LYS 44 poor 6 38 - 16 - 21/3.0=5, 1243/2.9=3, 4.3/6096=1 H LYS 14 - HB3 GLU 37 lone 5 78 - 7 - H SER 62 - HB2 GLU 37 lone 3 55 - 6 - 4.6/5479=1 H LYS 14 - HB2 GLU 37 lone 3 59 - 5 - H SER 62 - HB2 LYS 44 lone 2 35 - 7 - ~6081=2 Peak 6171 from cnoeabs.peaks (1.26, 1.81, 26.77 ppm; 4.67 A): 3 out of 7 assignments used, quality = 0.96: HB3 LEU 23 + HG LEU 76 OK 79 100 - 79 - 4477=17, 4470/2.1=13...(22) HB2 LEU 79 + HG LEU 76 OK 66 99 - 67 - 5773/2.1=11, ~6048=9...(25) HG3 LYS 65 + HG LEU 76 OK 45 100 - 45 - 5773/2.1=7, 1.8/3239=4...(19) HG3 LYS 56 - HG LEU 76 OK 22 81 - 27 - ~6206=7, ~6207=5...(6) HG3 LYS 17 - HG LEU 76 OK 19 96 - 19 - ~4676=3, 5773/2.1=2...(5) HG2 LYS 17 - HG LEU 76 OK 12 83 - 14 - 5773/2.1=3, ~5773=2 HG13 ILE 35 - HG LEU 76 lone 3 60 - 6 - Peak 6172 from cnoeabs.peaks (0.76, 1.95, 41.92 ppm; 4.09 A): 5 out of 8 assignments used, quality = 0.94: HG2 LYS 26 + HB2 LEU 76 OK 51 93 - 55 - 3.0/6173=7, ~6174=6...(23) QG1 VAL 20 + HB2 LEU 76 OK 45 90 - 50 - 2.1/3228=6, 4396/1.8=5...(22) QD2 LEU 79 + HB2 LEU 76 OK 43 76 - 57 - 2.1/3228=6, 2.1/3225=5...(24) QD1 LEU 23 + HB2 LEU 76 OK 40 68 - 59 - 3.9/4223=8, 4482/4.0=7...(21) QD1 LEU 73 + HB2 LEU 76 OK 38 93 - 41 - 5705/4.6=6, 3.9/4223=6...(11) QD1 LEU 79 - HB2 LEU 76 OK 32 71 - 45 - 2.1/3225=5, 3409/1.8=5...(19) QD1 LEU 30 - HB2 LEU 76 OK 30 99 - 30 - 6032/2.9=4, 2.1/3227=4...(11) QD1 LEU 12 - HB2 LEU 76 OK 18 90 - 20 - 4266/2.9=3, 1191/1.8=2...(8) Peak 6173 from cnoeabs.peaks (0.84, 1.95, 41.92 ppm; 4.04 A): 8 out of 9 assignments used, quality = 0.95: HD2 LYS 26 + HB2 LEU 76 OK 53 99 - 54 - 6174/1.8=12, 4524/2.9=7...(17) QB ALA 75 + HB2 LEU 76 OK 49 68 - 73 - 3.6/3222=16, 5763/3.1=11...(21) QD2 LEU 73 + HB2 LEU 76 OK 38 100 - 38 - 6174/1.8=8, 3.9/4223=6...(12) QG2 VAL 47 + HB2 LEU 76 OK 22 100 - 22 - 6174/1.8=4, ~5789=4...(8) QD2 LEU 87 + HB2 LEU 76 OK 20 100 - 20 - 6174/1.8=4, 4.8/4077=2...(7) QG1 VAL 47 + HB2 LEU 76 OK 17 81 - 21 - 6174/1.8=4, ~5789=4...(8) QD2 LEU 85 + HB2 LEU 76 OK 15 99 - 15 - 6174/1.8=3, ~3234=1 QD2 LEU 30 + HB2 LEU 76 OK 14 68 - 21 - 2.1/6172=4, ~6032=2...(4) QG2 ILE 35 - HB2 LEU 76 lone 6 85 - 7 - 6174/1.8=1 Peak 6174 from cnoeabs.peaks (0.84, 1.46, 41.92 ppm; 4.18 A): 6 out of 7 assignments used, quality = 0.84: HD2 LYS 26 + HB3 LEU 76 OK 51 97 - 53 - 6173/1.8=9, 4524/2.9=8...(17) QD2 LEU 73 + HB3 LEU 76 OK 33 100 - 33 - 6173/1.8=6, 3.9/4225=6...(13) QD2 LEU 87 + HB3 LEU 76 OK 19 100 - 19 - 6173/1.8=3, 4.8/4078=2...(7) QG2 VAL 47 + HB3 LEU 76 OK 18 100 - 18 - ~5789=4, 6173/1.8=4...(6) QG1 VAL 47 + HB3 LEU 76 OK 16 89 - 17 - ~5789=4, 6173/1.8=3...(6) QD2 LEU 85 + HB3 LEU 76 OK 14 100 - 13 - 6173/1.8=3, ~3227=2, ~3220=1 QG2 ILE 35 - HB3 LEU 76 lone 5 92 - 5 - 6173/1.8=1 Peak 6175 from cnoeabs.peaks (9.17, 0.74, 26.10 ppm; 5.89 A): 2 out of 2 assignments used, quality = 0.86: H ASP 53 + QD1 LEU 79 OK 82 95 - 87 - 4.1/5846=44, 4.4/5847=21...(14) H VAL 50 + QD1 LEU 79 OK 25 100 - 25 - 2559/5846=4, 6176/2.1=4...(7) Peak 6176 from cnoeabs.peaks (9.14, 0.78, 21.77 ppm; 5.89 A): 3 out of 3 assignments used, quality = 0.83: H ASP 53 + QD2 LEU 79 OK 67 97 - 69 - 4.1/5851=25, 6175/2.1=16...(9) HE ARG 27 + QD2 LEU 79 OK 35 99 - 35 - 5996/5872=6, 3.9/4548=5...(9) H VAL 50 + QD2 LEU 79 OK 21 85 - 25 - 6175/2.1=5, 2559/5851=3...(5) Peak 6177 from cnoeabs.peaks (1.39, 0.74, 26.10 ppm; 4.55 A): 4 out of 10 assignments used, quality = 0.95: HB3 LEU 12 + QD1 LEU 79 OK 73 95 - 77 - 1.8/1171=11, 1178=11...(27) HG2 LYS 68 + QD1 LEU 79 OK 54 81 - 67 - 2.9/5543=7, 1.8/3411=6...(29) QB ALA 69 + QD1 LEU 79 OK 41 100 - 41 - ~5869=8, 5582=6...(11) HB3 LYS 56 + QD1 LEU 79 OK 35 97 - 36 - 4.0/3405=8, 2629/4.8=4...(14) HD3 LYS 56 - QD1 LEU 79 OK 32 100 - 32 - 5.8/3405=5, 2669/4.8=4...(10) HG2 ARG 27 - QD1 LEU 79 OK 16 60 - 26 - 4541/5868=4, 3.0/4554=3...(12) QB ALA 67 - QD1 LEU 79 OK 11 87 - 13 - 3.7/5542=4, 5.0/5460=1 HB2 LYS 64 - QD1 LEU 79 poor 8 65 - 13 - 4.6/4100=4 HG2 LYS 44 - QD1 LEU 79 lone 5 85 - 6 - HG2 LYS 31 - QD1 LEU 79 lone 3 85 - 4 - Peak 6178 from cnoeabs.peaks (8.80, 1.53, 28.78 ppm; 5.01 A): 2 out of 12 assignments used, quality = 0.97: H PHE 57 + HD2 LYS 56 OK 87 100 - 87 - 3991/5.3=16, 251/3.0=13...(28) H LEU 34 + HD2 LYS 56 OK 73 99 - 73 - 666/3.0=15, 3992/3.4=9...(23) H ASN 18 - HD2 LYS 56 OK 44 92 - 48 - 3992/3.4=6, 3994/3.0=6...(17) H ASN 18 - HD3 LYS 17 OK 42 64 - 66 - 43/5.1=23, 45/3.7=13...(12) H ASN 18 - HD2 LYS 17 OK 42 64 - 66 - 43/5.1=23, 45/3.7=13...(12) H GLY 54 - HD2 LYS 56 OK 35 89 - 40 - 3994/3.0=5, 3992/3.4=5...(12) H LEU 34 - HD2 LYS 17 OK 33 73 - 45 - ~2104=6, 667/3.0=5...(16) H LEU 34 - HD3 LYS 17 OK 33 73 - 45 - ~2104=6, 667/3.0=5...(16) H PHE 57 - HD2 LYS 17 OK 32 76 - 43 - 252/3.0=4, 4.6/2625=4...(14) H PHE 57 - HD3 LYS 17 OK 32 76 - 43 - 252/3.0=4, 4.6/2625=4...(14) H GLY 54 - HD2 LYS 17 poor 6 61 - 10 - 4.5/5167=1 H GLY 54 - HD3 LYS 17 poor 6 61 - 10 - 4.5/5167=1 Peak 6180 from cnoeabs.peaks (8.49, 1.51, 32.59 ppm; 5.64 A): 2 out of 2 assignments used, quality = 0.46: H THR 38 + HB2 ARG 45 OK 39 99 - 39 - 4784/3.0=12, 4782/2.9=9...(10) H LYS 31 + HB2 ARG 45 OK 11 99 - 11 - 4801/2.9=3, ~1923=2 Peak 6185 from cnoeabs.peaks (1.52, 0.71, 23.37 ppm; 3.64 A): 4 out of 16 assignments used, quality = 0.94: HD3 LYS 64 + QD2 LEU 76 OK 70 100 - 70 - 2882=14, 1.8/2872=11...(27) QB ALA 71 + QD2 LEU 76 OK 48 100 - 48 - 5662=10, 3.7/5782=6...(15) HB3 LYS 26 + QD2 LEU 76 OK 39 100 - 40 - 2.9/6114=9, 4.9/5771=5...(12) QB ALA 72 + QD2 LEU 76 OK 34 57 - 59 - 2.1/5670=13, 2.9/5782=7...(18) HG LEU 34 - QD2 LEU 76 OK 22 99 - 22 - 2.1/6114=6, ~4676=4...(4) HD2 LYS 56 - QD2 LEU 76 OK 21 98 - 21 - 3.0/6207=4, ~6206=3...(6) HB2 LYS 56 - QD2 LEU 76 OK 18 78 - 23 - 2.9/6207=4, 4.6/5248=3...(5) HG LEU 30 - QD2 LEU 76 OK 17 89 - 19 - 2.1/3255=3, 3.0/3255=2...(8) HG3 ARG 27 - QD2 LEU 76 OK 14 100 - 14 - 3.0/5769=2 HB3 LEU 87 - QD2 LEU 76 OK 14 98 - 14 - 4.2/4081=2, 3.1/3255=2, ~6174=1 HB2 LEU 85 - QD2 LEU 76 OK 12 97 - 12 - 4.3/4081=2, 3.1/3255=1 HD2 LYS 17 - QD2 LEU 76 OK 12 93 - 12 - 3.0/5773=2, 3.0/5773=2...(4) HD3 LYS 17 - QD2 LEU 76 OK 12 93 - 12 - 3.0/5773=2, 3.0/5773=2...(4) HB3 LYS 44 - QD2 LEU 76 lone 8 87 - 10 - 1.8/3254=1 HB2 ARG 45 - QD2 LEU 76 lone 7 93 - 8 - HG2 GLU 37 - QD2 LEU 76 lone 6 81 - 8 - Peak 6186 from cnoeabs.peaks (4.00, 1.38, 17.66 ppm; 4.19 A): 4 out of 6 assignments used, quality = 0.81: HA PRO 19 + QB ALA 69 OK 50 96 - 53 - 3.6/6188=17, 3.8/5574=9...(9) HD2 PRO 19 + QB ALA 69 OK 49 73 - 67 - 1.8/6188=25, 2.3/5574=13...(12) HB3 SER 62 + QB ALA 69 OK 16 97 - 16 - 4.3/3116=5, 4018/2.9=4...(4) HA LEU 79 + QB ALA 69 OK 13 99 - 13 - 4.0/5582=4 HA3 GLY 16 - QB ALA 69 lone 6 65 - 8 - 1.8/4304=2, 4309=1 HA GLU 25 - QB ALA 69 lone 4 65 - 7 - Peak 6188 from cnoeabs.peaks (3.77, 1.38, 17.66 ppm; 3.69 A): 2 out of 4 assignments used, quality = 0.64: HD3 PRO 19 + QB ALA 69 OK 49 83 - 59 - 2.3/5574=11, 1.8/6186=11...(14) HA ALA 67 + QB ALA 69 OK 30 60 - 50 - ~1054=11, 1060/3.6=8...(12) HB2 SER 36 - QB ALA 69 lone 7 87 - 8 - 1056/2.9=2, 3929/3.6=2 HA2 GLY 40 - QB ALA 69 lone 2 100 - 2 - Peak 6190 from cnoeabs.peaks (7.60, 3.87, 55.25 ppm; 4.67 A): 2 out of 4 assignments used, quality = 0.75: H VAL 20 + HA ALA 69 OK 72 100 - 72 - 4.0/4404=20, 4386=13...(11) H LYS 17 + HA ALA 69 OK 12 100 - 12 - 1501/4404=3, 5693/4201=1...(6) HD21 ASN 63 - HA ALA 69 lone 9 96 - 10 - 5.5/3113=3, 1501/4404=1 H LYS 44 - HA ALA 69 lone 5 73 - 7 - Peak 6191 from cnoeabs.peaks (1.94, 0.70, 26.14 ppm; 4.34 A): 2 out of 14 assignments used, quality = 0.98: QE MET 48 + HG3 LYS 64 OK 90 99 - 91 - 4870/1.8=43, 4885/4.1=27...(19) HB2 LEU 76 + HG3 LYS 64 OK 82 99 - 82 - 3228=12, 1.8/3235=11...(30) HB3 GLU 22 - HG3 LYS 64 OK 33 100 - 33 - 3.0/4462=6, 3.0/4465=6...(13) HB VAL 20 - HG3 LYS 64 OK 28 100 - 28 - 5433/1.8=3, 5438/2.9=2...(13) HD2 LYS 78 - HG3 LYS 64 OK 25 87 - 29 - 5438/2.9=4, 5433/1.8=3...(11) HG3 GLU 49 - HG3 LYS 64 OK 24 96 - 25 - 3.7/4962=3, 4980/3.0=3...(11) HB2 GLU 33 - HG3 LYS 64 OK 19 100 - 19 - 5430/3.0=2, 5433/1.8=2...(7) HB VAL 47 - HG3 LYS 64 OK 13 99 - 13 - 4.0/5267=2, 5430/3.0=1...(5) HB2 GLN 58 - HG3 LYS 64 OK 10 78 - 13 - 4.0/5267=3, 1.8/5288=2 HB2 GLU 77 - HG3 LYS 64 poor 10 83 - 12 - 4.0/362=5 HB2 GLU 51 - HG3 LYS 64 poor 9 60 - 14 - 3.9/219=4, 3.0/5062=3 HG3 PRO 84 - HG3 LYS 64 lone 7 97 - 7 - HG3 PRO 81 - HG3 LYS 64 lone 7 85 - 8 - HG2 PRO 19 - HG3 LYS 64 lone 7 81 - 8 - Peak 6192 from cnoeabs.peaks (2.26, 0.82, 20.93 ppm; 5.06 A): 4 out of 6 assignments used, quality = 0.93: HG3 GLN 58 + QG1 VAL 47 OK 81 92 - 88 - 1.8/6193=31, 4.0/5975=20...(26) HG3 GLN 58 + QG2 VAL 47 OK 39 46 - 83 - ~6193=22, 1.8/6193=16...(22) HB2 PRO 84 + QG1 VAL 47 OK 35 100 - 35 - 4743/4837=5, ~6169=2...(20) HB2 PRO 84 + QG2 VAL 47 OK 15 55 - 27 - 4743/4837=2, ~6168=2...(10) HG3 MET 11 - QG1 VAL 47 lone 10 97 - 10 - 4743/4837=1 HG3 MET 11 - QG2 VAL 47 lone 4 52 - 7 - Peak 6193 from cnoeabs.peaks (2.39, 0.82, 20.93 ppm; 4.42 A): 2 out of 2 assignments used, quality = 0.87: HG2 GLN 58 + QG1 VAL 47 OK 79 100 - 79 - 4.0/5975=15, 1.8/6192=14...(27) HG2 GLN 58 + QG2 VAL 47 OK 40 55 - 73 - 5279/2.1=11, 2753/3.9=10...(24) Peak 6194 from cnoeabs.peaks (8.55, 2.55, 41.46 ppm; 5.23 A): 3 out of 4 assignments used, quality = 0.65: H GLY 61 + HB3 PHE 46 OK 43 93 - 46 - 3.6/5359=13, 5374/1.8=13...(7) H LEU 76 + HB3 PHE 46 OK 24 100 - 24 - ~5774=7, 4.8/6085=6...(6) H ASP 82 + HB3 PHE 46 OK 21 99 - 20 - 906/1.8=4, ~4630=3...(5) H LEU 73 - HB3 PHE 46 lone 4 63 - 6 - 1077/4.4=3 Peak 6195 from cnoeabs.peaks (4.81, 1.06, 26.57 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.78: HA GLU 37 + QD2 LEU 34 OK 78 100 - 78 - 6196/2.1=32, 2.9/4683=19...(16) Peak 6196 from cnoeabs.peaks (4.80, 1.22, 25.00 ppm; 5.15 A): 2 out of 2 assignments used, quality = 0.79: HA GLU 37 + QD1 LEU 34 OK 76 92 - 83 - 6195/2.1=36, 3.6/4781=18...(17) HA GLU 37 + HG2 LYS 17 OK 11 64 - 18 - 3.6/4781=3, 6057/4691=2...(5) Peak 6200 from cnoeabs.peaks (0.95, 0.90, 41.58 ppm; 3.59 A): 2 out of 2 assignments used, quality = 0.48: QG1 VAL 52 + HB3 LEU 30 OK 29 97 - 30 - 5131/4582=6, ~4587=6...(8) QG2 VAL 52 + HB3 LEU 30 OK 27 92 - 29 - ~4587=6, 5131/4582=6...(8) Peak 6201 from cnoeabs.peaks (6.66, 0.91, 26.04 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.61: QE TYR 32 + QD2 LEU 23 OK 61 100 - 61 - 4625/4480=15, 4623=13...(18) Peak 6202 from cnoeabs.peaks (1.71, 3.89, 59.27 ppm; 5.06 A): 3 out of 8 assignments used, quality = 0.62: HG2 LYS 78 + HA GLU 22 OK 29 95 - 31 - 4.9/364=5, 2.8/4164=4...(12) HB3 LYS 17 + HA GLU 22 OK 27 99 - 27 - 4314/3.0=6, ~4314=4...(8) HB2 LYS 17 + HA GLU 22 OK 27 99 - 27 - 4314/3.0=6, ~4314=4...(8) HB2 LEU 30 - HA GLU 22 poor 8 76 - 10 - ~4451=2, 3.1/6032=2, ~4454=1 HB3 LYS 65 - HA GLU 22 lone 6 81 - 8 - 4.4/1548=2 HB3 LYS 31 - HA GLU 22 lone 4 93 - 5 - HB3 ARG 27 - HA GLU 22 lone 4 90 - 4 - HB3 LYS 91 - HA GLU 22 lone 4 65 - 6 - 4.0/4162=4 Peak 6203 from cnoeabs.peaks (7.52, 0.73, 22.47 ppm; 4.00 A): 3 out of 3 assignments used, quality = 0.86: H ALA 69 + QG2 VAL 20 OK 78 100 - 78 - 3.0/4404=20, 3.6/4403=17...(18) HE22 GLN 55 + QG2 VAL 20 OK 23 85 - 27 - 1.7/4409=5, ~4407=4...(8) H ASN 63 + QG2 VAL 20 OK 16 100 - 16 - 5.5/1501=2, 4046/4403=2...(6) Peak 6204 from cnoeabs.peaks (8.18, 0.77, 26.77 ppm; 5.26 A): 3 out of 4 assignments used, quality = 0.95: H ARG 27 + QD1 LEU 30 OK 68 87 - 79 - 4.0/4544=14, 6205/2.1=13...(21) H LEU 87 + QD1 LEU 30 OK 68 90 - 75 - 6205/2.1=14, 2.9/1905=11...(23) H LEU 79 + QD1 LEU 30 OK 53 87 - 61 - 3.6/6033=8, 4.0/6078=8...(18) H LYS 56 - QD1 LEU 30 OK 17 65 - 26 - 4.6/5169=4, 4.7/5182=4...(6) Peak 6205 from cnoeabs.peaks (8.18, 0.87, 22.29 ppm; 5.34 A): 4 out of 4 assignments used, quality = 0.94: H LEU 87 + QD2 LEU 30 OK 69 95 - 73 - 6204/2.1=13, 2.9/1912=11...(27) H ARG 27 + QD2 LEU 30 OK 63 81 - 78 - 7.2/4595=17, 6204/2.1=13...(19) H LEU 79 + QD2 LEU 30 OK 35 92 - 38 - 6204/2.1=10, 373/3.1=6...(7) H LYS 56 + QD2 LEU 30 OK 15 73 - 20 - 4.7/4587=7, 6204/2.1=3...(4) Peak 6206 from cnoeabs.peaks (1.09, 0.88, 26.00 ppm; 3.31 A): 0 out of 6 assignments used, low quality = 0.31: HG3 LYS 14 - QD1 LEU 76 OK 13 97 - 13 - 6207/2.1=5, ~6114=3, 1.8/6115=2 QG2 THR 13 - QD1 LEU 76 OK 11 92 - 12 - 4280=4, 6207/2.1=3, 2.1/4279=1 HG2 LYS 56 - QD1 LEU 76 OK 11 83 - 13 - 6207/2.1=3, ~6171=1, ~5773=1 QD2 LEU 34 - QD1 LEU 76 poor 9 65 - 14 - 2.1/4676=5, ~6114=3, ~4677=2 QG1 VAL 66 - QD1 LEU 76 poor 9 60 - 15 - 6207/2.1=4, 4280=3...(4) QG2 THR 38 - QD1 LEU 76 lone 8 99 - 8 - 6207/2.1=2, 4280=2 Peak 6207 from cnoeabs.peaks (1.09, 0.71, 23.37 ppm; 4.63 A): 5 out of 5 assignments used, quality = 0.71: HG3 LYS 14 + QD2 LEU 76 OK 31 100 - 31 - 6206/2.1=10, 1.8/6114=7...(8) QG1 VAL 66 + QD2 LEU 76 OK 23 81 - 28 - 6206/2.1=7, 3.2/5460=7...(5) QG2 THR 13 + QD2 LEU 76 OK 20 99 - 20 - 6206/2.1=9, ~4279=3...(5) HG2 LYS 56 + QD2 LEU 76 OK 19 63 - 31 - 6206/2.1=8, 1.8/5773=3...(8) QG2 THR 38 + QD2 LEU 76 OK 15 90 - 16 - 6206/2.1=6, 4.2/5782=2...(5) Peak 4525 from aronoe.peaks (4.58, 7.00, 119.73 ppm; 4.21 A): 1 out of 6 assignments used, quality = 0.83: * HA HIS 10 + HD2 HIS 10 OK 83 100 - 83 - 4.7=72, 1102/4.0=17...(4) HA LEU 12 - HD2 HIS 10 lone 6 71 - 9 - 4.0/4256=5 HA THR 83 - HD2 HIS 10 lone 2 89 - 2 - HA LYS 31 - HD2 HIS 10 lone 2 92 - 2 - HA SER 36 - HD2 HIS 10 lone 1 73 - 1 - HA ASP 43 - HD2 HIS 10 lone 1 76 - 1 - Peak 4526 from aronoe.peaks (3.06, 7.00, 119.73 ppm; 3.88 A): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 10 + HD2 HIS 10 OK 96 100 - 96 - 4.0=94, 3.0/1104=24, 4.2/5=7 HB3 HIS 10 + HD2 HIS 10 OK 96 100 - 96 - 4.0=94, 3.0/1104=24, 4.2/5=7 Peak 4527 from aronoe.peaks (3.06, 7.00, 119.73 ppm; 3.88 A): 2 out of 2 assignments used, quality = 1.00: * HB3 HIS 10 + HD2 HIS 10 OK 96 100 - 96 - 4.0=94, 3.0/1104=24, 4.2/5=7 HB2 HIS 10 + HD2 HIS 10 OK 96 100 - 96 - 4.0=94, 3.0/1104=24, 4.2/5=7 Peak 4528 from aronoe.peaks (7.00, 7.00, 119.73 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 (4.72, 7.16, 119.63 ppm; 3.93 A): 2 out of 2 assignments used, quality = 0.63: * HA HIS 15 + HD2 HIS 15 OK 58 100 - 58 - 4.7=58 HA SER 62 + HD2 HIS 15 OK 12 97 - 12 - 1314/4.0=4, 1309/4.0=4 Peak 4533 from aronoe.peaks (3.33, 7.16, 119.63 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * HB2 HIS 15 + HD2 HIS 15 OK 100 100 - 100 - 4.0=100 HB3 TYR 70 - HD2 HIS 15 OK 26 97 - 27 - 1315/4.0=10, 1305/4.7=8...(4) Peak 4534 from aronoe.peaks (2.96, 7.16, 119.63 ppm; 4.41 A): 1 out of 8 assignments used, quality = 1.00: * HB3 HIS 15 + HD2 HIS 15 OK 100 100 - 100 - 4.0=100 HB2 TYR 70 - HD2 HIS 15 OK 19 83 - 23 - 3128/4.0=9, 1.8/4533=8...(4) HE2 LYS 91 - HD2 HIS 15 OK 13 100 - 13 - 3.0/4297=5, 3.0/4297=5 HE3 LYS 91 - HD2 HIS 15 OK 13 100 - 13 - 3.0/4297=5, 3.0/4297=5 HE2 LYS 31 - HD2 HIS 15 lone 3 100 - 3 - HE3 LYS 31 - HD2 HIS 15 lone 3 100 - 3 - HD2 ARG 45 - HD2 HIS 15 lone 3 97 - 3 - HD3 ARG 45 - HD2 HIS 15 lone 3 97 - 3 - Peak 4535 from aronoe.peaks (7.16, 7.16, 119.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 15 + HD2 HIS 15 OK 100 100 - 100 Peak 4539 from aronoe.peaks (4.93, 6.82, 132.71 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.96: * HA TYR 32 + QD TYR 32 OK 96 96 - 100 - 3.7=100 Peak 4540 from aronoe.peaks (2.51, 6.82, 132.71 ppm; 3.21 A): 2 out of 4 assignments used, quality = 1.00: * HB2 TYR 32 + QD TYR 32 OK 100 100 - 100 - 2.5=100 HG2 MET 48 + QD TYR 32 OK 58 90 - 65 - 3.3/4925=12, 2022/2.5=8...(20) HE2 LYS 26 - QD TYR 32 OK 33 100 - 33 - 2022/2.5=3, 4617/2.2=3...(15) HE3 LYS 26 - QD TYR 32 OK 32 100 - 33 - 2022/2.5=3, 4617/2.2=3...(15) Peak 4541 from aronoe.peaks (2.86, 6.82, 132.71 ppm; 3.31 A): 1 out of 10 assignments used, quality = 1.00: * HB3 TYR 32 + QD TYR 32 OK 100 100 - 100 - 2.5=100 HE3 LYS 17 - QD TYR 32 OK 20 100 - 20 - 2017/2.5=3, 4616/2.2=2...(10) HE2 LYS 17 - QD TYR 32 OK 19 97 - 20 - 2017/2.5=2, 4616/2.2=2...(10) HB3 ASN 24 - QD TYR 32 OK 13 100 - 13 - 2017/2.5=2, 3.0/4598=2...(4) HB2 ASN 18 - QD TYR 32 OK 12 100 - 12 - 2017/2.5=2, 4616/2.2=1...(5) HB3 ASN 18 - QD TYR 32 OK 12 100 - 12 - 2017/2.5=2, 4616/2.2=1...(4) HB3 ASN 63 - QD TYR 32 lone 9 99 - 9 - 2017/2.5=1, 3.0/4603=1 HE2 LYS 65 - QD TYR 32 lone 3 71 - 5 - HE3 LYS 65 - QD TYR 32 lone 3 60 - 4 - HB2 ASN 90 - QD TYR 32 lone 1 73 - 2 - Peak 4542 from aronoe.peaks (6.82, 6.82, 132.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 32 + QD TYR 32 OK 100 100 - 100 Peak 4543 from aronoe.peaks (6.66, 6.82, 132.71 ppm; 2.78 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 32 + QD TYR 32 OK 100 100 - 100 - 2.2=100 Peak 4544 from aronoe.peaks (6.82, 6.66, 117.47 ppm; 2.77 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 32 + QE TYR 32 OK 100 100 - 100 - 2.2=100 QE TYR 70 - QE TYR 32 OK 18 88 - 20 - 2019/4.4=2, ~3147=2...(5) HE21 GLN 55 - QE TYR 32 OK 12 78 - 15 - 5637/5638=1, 5518/4615=1 Peak 4545 from aronoe.peaks (6.66, 6.66, 117.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 32 + QE TYR 32 OK 100 100 - 100 Peak 4546 from aronoe.peaks (4.63, 7.09, 119.56 ppm; 4.67 A): 1 out of 11 assignments used, quality = 1.00: * HA HIS 42 + HD2 HIS 42 OK 100 100 - 100 - 4.6=100 HA ASP 43 - HD2 HIS 42 OK 30 65 - 46 - 3.0/4628=31, 3.0/4629=20 HA ARG 27 - HD2 HIS 42 poor 10 92 - 10 - 2226/3.9=4, 2222/3.9=3 HA ASN 63 - HD2 HIS 42 lone 3 97 - 3 - HA ASP 82 - HD2 HIS 42 lone 3 92 - 3 - HA ASN 24 - HD2 HIS 42 lone 3 100 - 3 - HA GLU 33 - HD2 HIS 42 lone 3 100 - 3 - HA THR 38 - HD2 HIS 42 lone 2 83 - 2 - HA PHE 57 - HD2 HIS 42 lone 2 83 - 2 - HA LEU 12 - HD2 HIS 42 lone 2 71 - 2 - HA LYS 56 - HD2 HIS 42 lone 1 60 - 2 - Peak 4547 from aronoe.peaks (3.11, 7.09, 119.56 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 42 + HD2 HIS 42 OK 100 100 - 100 - 3.9=100 HE2 LYS 78 - HD2 HIS 42 lone 2 89 - 2 - HE3 LYS 78 - HD2 HIS 42 lone 2 87 - 2 - Peak 4548 from aronoe.peaks (3.20, 7.09, 119.56 ppm; 4.27 A): 1 out of 4 assignments used, quality = 1.00: * HB3 HIS 42 + HD2 HIS 42 OK 100 100 - 100 - 3.9=100 HD2 ARG 27 - HD2 HIS 42 lone 7 87 - 8 - 2220/4.6=4, 2224/3.9=2 HD3 ARG 28 - HD2 HIS 42 lone 3 99 - 3 - 2220/4.6=1 HB2 PHE 80 - HD2 HIS 42 lone 1 73 - 1 - Peak 4549 from aronoe.peaks (7.09, 7.09, 119.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 42 + HD2 HIS 42 OK 100 100 - 100 Peak 4553 from aronoe.peaks (5.16, 7.01, 131.21 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 46 + QD PHE 46 OK 100 100 - 100 - 3.7=100 Peak 4554 from aronoe.peaks (2.59, 7.01, 131.21 ppm; 3.61 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PHE 46 + QD PHE 46 OK 100 100 - 100 - 2.4=100 HB2 ASP 43 - QD PHE 46 OK 18 98 - 18 - 2375/2.4=3, 3.0/4630=2...(8) HB3 ASP 82 - QD PHE 46 OK 11 99 - 11 - 3.0/4630=2, 2375/2.4=2...(5) HB3 ASP 88 - QD PHE 46 lone 4 100 - 4 - Peak 4555 from aronoe.peaks (2.55, 7.01, 131.21 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 46 + QD PHE 46 OK 100 100 - 100 - 2.4=100 HG2 MET 48 - QD PHE 46 OK 28 80 - 35 - 3.3/4923=5, 195/4.8=4...(14) HB2 ASP 43 - QD PHE 46 OK 10 60 - 17 - 3.0/4630=2, ~2244=2...(9) Peak 4556 from aronoe.peaks (7.01, 7.01, 131.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 46 + QD PHE 46 OK 100 100 - 100 Peak 4557 from aronoe.peaks (7.34, 7.01, 131.21 ppm; 2.94 A): 1 out of 5 assignments used, quality = 1.00: * QE PHE 46 + QD PHE 46 OK 100 100 - 100 - 2.2=100 HZ PHE 46 - QD PHE 46 OK 39 73 - 53 - 3.8=46, 4641/2.4=6...(5) QD TYR 70 - QD PHE 46 poor 10 93 - 10 - ~3130=2, ~3136=2...(5) H ALA 75 - QD PHE 46 lone 5 90 - 5 - H GLU 25 - QD PHE 46 lone 3 82 - 4 - 3.6/4630=1 Peak 4558 from aronoe.peaks (7.32, 7.01, 131.21 ppm; 3.13 A): 3 out of 3 assignments used, quality = 0.92: QE PHE 46 + QD PHE 46 OK 75 75 - 100 - 2.2=100 * HZ PHE 46 + QD PHE 46 OK 64 100 - 64 - 3.8=56, 4641/2.4=10...(7) QD TYR 70 + QD PHE 46 OK 12 97 - 12 - ~3130=2, ~3136=2...(5) Peak 4559 from aronoe.peaks (7.01, 7.34, 131.20 ppm; 3.17 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 46 + QE PHE 46 OK 100 100 - 100 - 2.2=100 QE PHE 80 - QE PHE 46 OK 25 90 - 28 - 4716/5.6=7, 4562/2.2=4...(7) HD2 HIS 10 - QE PHE 46 lone 3 99 - 3 - Peak 4560 from aronoe.peaks (7.34, 7.34, 131.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 46 + QE PHE 46 OK 100 100 - 100 Peak 4561 from aronoe.peaks (7.32, 7.34, 131.20 ppm; diagonal): 1 out of 1 assignment used, quality = 0.76: QE PHE 46 + QE PHE 46 OK 76 76 - 100 Reference assignment not found: HZ PHE 46 - QE PHE 46 Peak 4562 from aronoe.peaks (7.01, 7.32, 129.90 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 46 + HZ PHE 46 OK 100 100 - 100 - 3.8=100 QE PHE 80 - HZ PHE 46 OK 26 90 - 29 - 4559/2.2=8, 4716/7.2=7...(5) HD2 HIS 10 - HZ PHE 46 lone 4 99 - 4 - 4559/2.2=1 Peak 4563 from aronoe.peaks (7.34, 7.32, 129.90 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: HZ PHE 46 + HZ PHE 46 OK 73 73 - 100 Reference assignment not found: QE PHE 46 - HZ PHE 46 Peak 4564 from aronoe.peaks (7.32, 7.32, 129.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 46 + HZ PHE 46 OK 100 100 - 100 Peak 4565 from aronoe.peaks (4.66, 7.16, 132.47 ppm; 3.87 A): 2 out of 6 assignments used, quality = 1.00: * HA PHE 57 + QD PHE 57 OK 100 100 - 100 - 3.7=100 HA LYS 56 + QD PHE 57 OK 71 99 - 72 - 3.6/773=23, 2706/2.5=10...(29) HA ASN 90 - QD PHE 57 OK 14 92 - 15 - 2706/2.5=2, 3681/2.5=2...(4) HA GLU 33 - QD PHE 57 OK 12 78 - 16 - 3.6/4649=4, 3911/4.4=4...(4) HA ASN 24 - QD PHE 57 lone 2 65 - 3 - HA HIS 42 - QD PHE 57 lone 2 78 - 2 - Peak 4566 from aronoe.peaks (3.17, 7.16, 132.47 ppm; 3.43 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PHE 57 + QD PHE 57 OK 100 100 - 100 - 2.5=100 HB2 PHE 80 - QD PHE 57 OK 40 95 - 42 - 3430/2.2=9, 2.5/4569=8...(16) HD3 PRO 81 - QD PHE 57 OK 30 98 - 31 - 5907/2.2=4, ~5910=3...(13) HD2 ARG 27 - QD PHE 57 OK 30 85 - 35 - 4654/2.2=3, 3.5/4669=3...(18) HD2 ARG 28 - QD PHE 57 OK 14 100 - 14 - 2713/2.5=1, 2701/3.7=1...(5) Peak 4567 from aronoe.peaks (2.80, 7.16, 132.47 ppm; 3.51 A): 3 out of 5 assignments used, quality = 1.00: * HB3 PHE 57 + QD PHE 57 OK 100 100 - 100 - 2.5=100 HE3 LYS 56 + QD PHE 57 OK 57 99 - 58 - 2716=10, 2708/2.5=8...(22) HE2 LYS 56 + QD PHE 57 OK 55 96 - 58 - 2716=9, 1.8/2716=8...(22) HB3 ASP 53 - QD PHE 57 OK 14 81 - 18 - 4.6/4649=2, 3983/4.4=2...(10) HB2 ASN 90 - QD PHE 57 poor 7 63 - 11 - 3.0/4565=2, 3686/3.7=1...(4) Peak 4568 from aronoe.peaks (7.16, 7.16, 132.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 57 + QD PHE 57 OK 100 100 - 100 Peak 4569 from aronoe.peaks (7.21, 7.16, 132.47 ppm; 2.58 A): 1 out of 3 assignments used, quality = 1.00: * QE PHE 57 + QD PHE 57 OK 100 100 - 100 - 2.2=100 QD PHE 80 - QD PHE 57 OK 29 100 - 29 - 4589/3.8=4, 3.8/4574=3...(10) H LYS 78 - QD PHE 57 lone 10 98 - 10 - ~3287=2, ~4656=2, 4575/3.8=2 Peak 4570 from aronoe.peaks (6.93, 7.16, 132.47 ppm; 4.03 A): 2 out of 2 assignments used, quality = 1.00: * HZ PHE 57 + QD PHE 57 OK 100 100 - 100 - 3.8=100 HZ PHE 80 + QD PHE 57 OK 55 100 - 56 - 4574=15, 4573/2.2=14...(12) Peak 4571 from aronoe.peaks (7.16, 7.21, 131.28 ppm; 2.63 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 57 + QE PHE 57 OK 100 100 - 100 - 2.2=100 HD2 HIS 15 - QE PHE 57 lone 5 98 - 5 - 4574/2.2=1, 2710/4.4=1 Peak 4572 from aronoe.peaks (7.21, 7.21, 131.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 57 + QE PHE 57 OK 100 100 - 100 Peak 4573 from aronoe.peaks (6.93, 7.21, 131.28 ppm; 3.02 A): 2 out of 2 assignments used, quality = 1.00: * HZ PHE 57 + QE PHE 57 OK 100 100 - 100 - 2.2=100 HZ PHE 80 + QE PHE 57 OK 46 99 - 47 - 2.2/4590=9, 4574/2.2=8...(13) Peak 4574 from aronoe.peaks (7.16, 6.93, 127.99 ppm; 3.25 A): 2 out of 4 assignments used, quality = 0.80: * QD PHE 57 + HZ PHE 57 OK 71 100 - 71 - 3.8=63, 2704/7.2=4...(6) QD PHE 57 + HZ PHE 80 OK 33 82 - 40 - 2.2/4573=11, 4570=9...(9) HD2 HIS 15 - HZ PHE 57 lone 7 98 - 6 - 2722/2.2=3, 2710/5.8=1 HD2 HIS 15 - HZ PHE 80 lone 1 77 - 1 - Peak 4575 from aronoe.peaks (7.21, 6.93, 127.99 ppm; 2.79 A): 1 out of 6 assignments used, quality = 1.00: * QE PHE 57 + HZ PHE 57 OK 100 100 - 100 - 2.2=100 QD PHE 80 - HZ PHE 80 OK 42 80 - 53 - 3.8=39, ~4718=4, ~4717=3...(8) QD PHE 80 - HZ PHE 57 OK 39 100 - 40 - 4589=9, 2.2/4592=8...(11) QE PHE 57 - HZ PHE 80 OK 36 81 - 44 - 4573=12, 4590/2.2=8...(12) H LYS 78 - HZ PHE 57 OK 34 98 - 34 - 4.0/5825=5, 4.0/5824=5...(11) H LYS 78 - HZ PHE 80 OK 24 77 - 31 - 4.0/5825=4, 4.0/5824=4...(12) Peak 4576 from aronoe.peaks (6.93, 6.93, 127.99 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HZ PHE 57 + HZ PHE 57 OK 100 100 - 100 HZ PHE 80 + HZ PHE 80 OK 80 80 - 100 Peak 4577 from aronoe.peaks (4.40, 7.33, 132.80 ppm; 3.34 A): 3 out of 4 assignments used, quality = 0.93: * HA TYR 70 + QD TYR 70 OK 86 100 - 86 - 3.7=71, 3.0/847=16...(15) HA ARG 28 + QD TYR 70 OK 42 98 - 43 - 3132/2.5=8, 3126/2.5=8...(17) HA GLN 55 + QD TYR 70 OK 15 83 - 18 - 3132/2.5=3, 3126/2.5=2...(9) HA PRO 81 - QD TYR 70 poor 10 90 - 11 - 5915/4.5=3, 3132/2.5=2...(5) Peak 4578 from aronoe.peaks (2.98, 7.33, 132.80 ppm; 3.56 A): 1 out of 8 assignments used, quality = 1.00: * HB2 TYR 70 + QD TYR 70 OK 100 100 - 100 - 2.5=100 HB3 HIS 15 - QD TYR 70 OK 39 83 - 47 - 1.8/4579=12, 1315/2.5=9...(11) HE3 LYS 91 - QD TYR 70 OK 14 85 - 17 - 3133/2.5=2, 4684/2.2=2...(10) HE2 LYS 91 - QD TYR 70 OK 14 85 - 17 - 3133/2.5=2, 4684/2.2=2...(10) HE3 LYS 31 - QD TYR 70 OK 13 92 - 14 - 3133/2.5=2, 3121/3.7=2...(7) HE2 LYS 31 - QD TYR 70 OK 13 90 - 14 - 3133/2.5=2, 3121/3.7=1...(7) HD2 ARG 45 - QD TYR 70 lone 2 57 - 4 - HD3 ARG 45 - QD TYR 70 lone 2 57 - 4 - Peak 4579 from aronoe.peaks (3.32, 7.33, 132.80 ppm; 3.66 A): 2 out of 2 assignments used, quality = 1.00: * HB3 TYR 70 + QD TYR 70 OK 100 100 - 100 - 2.5=100 HB2 HIS 15 + QD TYR 70 OK 53 99 - 54 - 3128/2.5=12, 3122/3.7=8...(15) Peak 4580 from aronoe.peaks (7.33, 7.33, 132.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 70 + QD TYR 70 OK 100 100 - 100 Peak 4581 from aronoe.peaks (6.80, 7.33, 132.80 ppm; 2.51 A): 1 out of 3 assignments used, quality = 1.00: * QE TYR 70 + QD TYR 70 OK 100 100 - 100 - 2.2=100 HE21 GLN 55 - QD TYR 70 OK 10 100 - 10 - 3123/3.7=1, 3135/2.5=1...(5) QD TYR 32 - QD TYR 70 poor 10 89 - 11 - ~2031=1, ~4544=1...(6) Peak 4582 from aronoe.peaks (7.33, 6.80, 117.89 ppm; 2.41 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 70 + QE TYR 70 OK 100 100 - 100 - 2.2=100 QE PHE 46 - QE TYR 70 lone 8 95 - 8 - 3130/4.4=1, 3136/4.4=1 HZ PHE 46 - QE TYR 70 lone 5 97 - 5 - 3130/4.4=1, 3136/4.4=1 Peak 4583 from aronoe.peaks (6.80, 6.80, 117.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 70 + QE TYR 70 OK 100 100 - 100 Peak 4584 from aronoe.peaks (5.05, 7.20, 132.98 ppm; 3.52 A): 2 out of 2 assignments used, quality = 0.96: * HA PHE 80 + QD PHE 80 OK 93 100 - 93 - 3.7=85, 3.0/902=14...(15) HA VAL 47 + QD PHE 80 OK 39 100 - 39 - 3426/2.5=9, 3432/2.5=9...(11) Peak 4585 from aronoe.peaks (3.17, 7.20, 132.98 ppm; 3.29 A): 2 out of 5 assignments used, quality = 0.99: * HB2 PHE 80 + QD PHE 80 OK 98 98 - 100 - 2.5=100 HD3 PRO 81 + QD PHE 80 OK 50 94 - 53 - 3.8/4584=13, 5906/4.4=8...(14) HB2 PHE 57 - QD PHE 80 OK 33 100 - 33 - 2.5/4569=8, 4717/2.2=5...(11) HD2 ARG 27 - QD PHE 80 OK 32 92 - 34 - ~4541=6, 4717/2.2=4...(17) HD2 ARG 28 - QD PHE 80 lone 7 99 - 7 - Peak 4586 from aronoe.peaks (2.91, 7.20, 132.98 ppm; 3.32 A): 1 out of 8 assignments used, quality = 1.00: * HB3 PHE 80 + QD PHE 80 OK 100 100 - 100 - 2.5=100 HB2 ASN 24 - QD PHE 80 OK 20 96 - 21 - 3428/2.5=4, 3422/3.7=3...(10) HB2 ASN 63 - QD PHE 80 OK 14 100 - 14 - ~5406=3, 3428/2.5=2...(7) HE3 LYS 65 - QD PHE 80 OK 11 71 - 15 - 3.8/4706=2, 5.1/5189=1...(8) HE2 LYS 65 - QD PHE 80 poor 9 60 - 15 - 3.8/4706=2, 5.1/5189=1...(6) HB2 ASP 53 - QD PHE 80 lone 8 94 - 8 - 3428/2.5=1, 4718/2.2=1...(4) HE3 LYS 14 - QD PHE 80 lone 6 100 - 6 - 3428/2.5=1 HE2 LYS 14 - QD PHE 80 lone 6 100 - 6 - 3428/2.5=1 Peak 4587 from aronoe.peaks (7.20, 7.20, 132.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 80 + QD PHE 80 OK 100 100 - 100 Peak 4588 from aronoe.peaks (7.03, 7.20, 132.98 ppm; 2.68 A): 1 out of 4 assignments used, quality = 1.00: * QE PHE 80 + QD PHE 80 OK 100 100 - 100 - 2.2=100 QD PHE 46 - QD PHE 80 OK 20 97 - 21 - ~2378=2, ~2373=2...(9) HE ARG 45 - QD PHE 80 lone 3 76 - 4 - HD2 HIS 10 - QD PHE 80 lone 1 78 - 1 - Peak 4589 from aronoe.peaks (6.93, 7.20, 132.98 ppm; 3.62 A): 2 out of 2 assignments used, quality = 0.96: * HZ PHE 80 + QD PHE 80 OK 92 100 - 92 - 3.8=87, ~4718=7, ~4717=5...(15) HZ PHE 57 + QD PHE 80 OK 57 100 - 57 - 5993/2.2=12, 4575=7...(23) Peak 4590 from aronoe.peaks (7.20, 7.03, 130.38 ppm; 2.59 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 80 + QE PHE 80 OK 100 100 - 100 - 2.2=100 QE PHE 57 - QE PHE 80 OK 39 97 - 40 - 4573/2.2=7, 2.2/4592=7...(17) H LYS 78 - QE PHE 80 OK 19 100 - 19 - 4593/2.2=3, 5823/6.3=2...(10) Peak 4591 from aronoe.peaks (7.03, 7.03, 130.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 80 + QE PHE 80 OK 100 100 - 100 Peak 4592 from aronoe.peaks (6.93, 7.03, 130.38 ppm; 2.64 A): 1 out of 2 assignments used, quality = 1.00: * HZ PHE 80 + QE PHE 80 OK 100 100 - 100 - 2.2=100 HZ PHE 57 - QE PHE 80 OK 35 100 - 35 - 4594=9, 2.2/4590=7...(10) Peak 4593 from aronoe.peaks (7.20, 6.93, 128.25 ppm; 3.08 A): 3 out of 6 assignments used, quality = 0.96: QE PHE 57 + HZ PHE 57 OK 77 77 - 100 - 2.2=100 * QD PHE 80 + HZ PHE 80 OK 66 100 - 66 - 3.8=53, ~4718=5, ~4717=4...(10) QE PHE 57 + HZ PHE 80 OK 50 97 - 52 - 4573=16, 4590/2.2=9...(15) QD PHE 80 - HZ PHE 57 OK 40 82 - 48 - 4589=12, 2.2/4592=9...(16) H LYS 78 - HZ PHE 80 OK 38 100 - 38 - 4.0/5825=5, 4.0/5824=5...(13) H LYS 78 - HZ PHE 57 OK 35 82 - 42 - 4.0/5825=7, 4.0/5824=6...(14) Peak 4594 from aronoe.peaks (7.03, 6.93, 128.25 ppm; 2.81 A): 1 out of 8 assignments used, quality = 1.00: * QE PHE 80 + HZ PHE 80 OK 100 100 - 100 - 2.2=100 QE PHE 80 - HZ PHE 57 OK 33 82 - 41 - 4592=13, 4590/2.2=8...(11) QD PHE 46 - HZ PHE 80 OK 17 97 - 17 - 3447/3.8=3, ~2378=3...(7) HE ARG 45 - HZ PHE 80 lone 3 76 - 3 - QD PHE 46 - HZ PHE 57 lone 2 76 - 2 - HD2 HIS 10 - HZ PHE 80 lone 1 78 - 1 - HE ARG 45 - HZ PHE 57 lone 1 55 - 1 - HD2 HIS 10 - HZ PHE 57 lone 0 57 - 0 - Peak 4595 from aronoe.peaks (6.93, 6.93, 128.25 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HZ PHE 80 + HZ PHE 80 OK 100 100 - 100 HZ PHE 57 + HZ PHE 57 OK 81 81 - 100 Peak 4596 from aronoe.peaks (8.67, 6.82, 132.71 ppm; 3.25 A): 1 out of 1 assignment used, quality = 0.83: H TYR 32 + QD TYR 32 OK 83 99 - 84 - 654=40, 2020/2.5=25...(12) Peak 4597 from aronoe.peaks (8.35, 6.82, 132.71 ppm; 5.44 A): 3 out of 6 assignments used, quality = 0.99: H ALA 72 + QD TYR 32 OK 95 100 - 95 - 5688/2.2=50, ~5698=34...(15) H TYR 70 + QD TYR 32 OK 57 97 - 59 - 1058/4604=16, 846=11...(14) H ARG 28 + QD TYR 32 OK 46 100 - 47 - 4637/2.2=9, 3.6/4603=9...(16) H GLU 37 - QD TYR 32 poor 7 63 - 12 - 4.9/4907=3, 975/4596=1 H GLY 39 - QD TYR 32 poor 6 57 - 10 - 3.6/4603=3, 178/4596=1 H GLY 40 - QD TYR 32 lone 4 57 - 6 - 4637/2.2=1 Peak 4598 from aronoe.peaks (9.44, 6.82, 132.71 ppm; 4.34 A): 2 out of 2 assignments used, quality = 0.99: H GLU 33 + QD TYR 32 OK 97 100 - 97 - 4.6=85, 143/3.7=30...(18) H GLU 49 + QD TYR 32 OK 61 99 - 61 - 3907/2.5=13, 4.7/4908=11...(14) Peak 4599 from aronoe.peaks (8.35, 6.66, 117.47 ppm; 3.97 A): 2 out of 6 assignments used, quality = 0.94: H ALA 72 + QE TYR 32 OK 91 100 - 91 - 5688=49, 2.9/5698=32...(16) H TYR 70 + QE TYR 32 OK 36 90 - 41 - 4.6/5630=11, 1058/4615=8...(12) H ARG 28 - QE TYR 32 OK 29 100 - 29 - 4597/2.2=4, 4063/5638=4...(12) H ASN 90 - QE TYR 32 lone 4 68 - 6 - H GLY 40 - QE TYR 32 lone 3 70 - 5 - H GLY 39 - QE TYR 32 lone 3 70 - 4 - Peak 4600 from aronoe.peaks (8.68, 6.66, 117.47 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.90: H TYR 32 + QE TYR 32 OK 90 100 - 90 - 653=50, 4596/2.2=46...(12) Peak 4601 from aronoe.peaks (9.13, 6.66, 117.47 ppm; 4.19 A): 0 out of 2 assignments used, low quality = 0.35: HE ARG 27 - QE TYR 32 OK 35 99 - 36 - 5997/2.2=15, ~4539=8...(7) H ASP 53 - QE TYR 32 poor 9 68 - 14 - 4418/4408=4, 4592/4593=2...(5) Peak 4603 from aronoe.peaks (4.60, 6.82, 132.71 ppm; 3.99 A): 4 out of 9 assignments used, quality = 0.89: HA LYS 31 + QD TYR 32 OK 79 100 - 80 - 4598=34, 3.6/4596=31...(17) HA ARG 27 + QD TYR 32 OK 32 89 - 37 - 5.3/4539=7, 6.3/5997=7...(12) HA ASN 24 + QD TYR 32 OK 12 65 - 19 - 4598=5, 3.0/4541=2...(8) HA THR 38 + QD TYR 32 OK 10 96 - 11 - 133/4.4=3, 2194/4596=2...(4) HA ASN 63 - QD TYR 32 poor 9 78 - 11 - 4634/2.5=2, 3.0/4541=2 HA LEU 12 - QD TYR 32 lone 6 99 - 6 - 4634/2.5=1 HA ASP 82 - QD TYR 32 lone 4 89 - 5 - 2038/4.6=1 HA ASP 43 - QD TYR 32 lone 3 100 - 3 - HA HIS 10 - QD TYR 32 lone 1 87 - 2 - Peak 4604 from aronoe.peaks (3.53, 6.82, 132.71 ppm; 4.09 A): 1 out of 1 assignment used, quality = 0.87: HA LYS 68 + QD TYR 32 OK 87 99 - 88 - 4615/2.2=31, 5518=27...(25) Peak 4605 from aronoe.peaks (1.95, 6.82, 132.71 ppm; 3.96 A): 3 out of 14 assignments used, quality = 0.95: QE MET 48 + QD TYR 32 OK 69 83 - 83 - 4925=28, 4924/2.2=17...(18) HB VAL 20 + QD TYR 32 OK 68 95 - 72 - ~4408=22, ~4410=19...(13) HB2 GLU 33 + QD TYR 32 OK 51 99 - 51 - 4.1/147=15, 4640/3.7=11...(10) HB2 LEU 76 - QD TYR 32 OK 35 100 - 35 - 3.1/4612=5, 4618/2.2=3...(15) HB2 GLU 51 - QD TYR 32 OK 18 89 - 20 - 5065/4613=7, 1.8/4607=2...(7) HG3 GLU 49 - QD TYR 32 OK 17 73 - 24 - 5.0/4598=6, 2475/4.6=5...(7) HG2 PRO 19 - QD TYR 32 OK 11 98 - 11 - ~4621=1, ~4618=1, 4618/2.2=1 HB VAL 47 - QD TYR 32 OK 11 83 - 13 - 4612/2.5=2, 657/4.6=1...(4) HB2 GLU 77 - QD TYR 32 poor 10 99 - 10 - 3.0/4739=2, 657/4.6=1 HB3 GLU 22 - QD TYR 32 lone 9 99 - 9 - HG3 PRO 84 - QD TYR 32 lone 8 100 - 8 - HB2 GLN 58 - QD TYR 32 lone 7 97 - 7 - 5664/5637=1 HB2 PRO 19 - QD TYR 32 lone 6 60 - 10 - 4618/2.2=2, ~4621=1, ~4618=1 HB3 PRO 81 - QD TYR 32 lone 4 85 - 4 - Peak 4606 from aronoe.peaks (1.79, 6.82, 132.71 ppm; 4.05 A): 3 out of 17 assignments used, quality = 0.97: HB2 LYS 31 + QD TYR 32 OK 80 99 - 81 - 4.1/4596=28, 3.0/4598=22...(23) HB2 MET 48 + QD TYR 32 OK 75 100 - 75 - 4.0/4925=17, 1.8/4908=16...(17) HB2 ARG 27 + QD TYR 32 OK 41 85 - 48 - 4.8/5997=10, 3.5/4539=9...(15) HB3 GLU 33 - QD TYR 32 OK 40 83 - 49 - 4.1/147=16, 4641/3.7=9...(12) HG LEU 76 - QD TYR 32 OK 34 95 - 36 - 2.1/4612=7, ~5771=4...(15) HG3 GLU 37 - QD TYR 32 OK 19 99 - 19 - 4907=3, 4878/4604=2...(6) HG2 GLU 51 - QD TYR 32 OK 17 95 - 18 - 4611/3.7=2, 3.0/4605=2...(9) HG3 GLU 51 - QD TYR 32 OK 16 93 - 18 - 4611/3.7=2, 3.0/4605=2...(9) HD3 LYS 78 - QD TYR 32 OK 14 97 - 15 - 2.9/5832=1, 2.9/5832=1 HB2 ARG 28 - QD TYR 32 OK 13 99 - 13 - 4.0/4597=3 HB2 LYS 65 - QD TYR 32 OK 12 99 - 12 - ~4618=1 QB ALA 74 - QD TYR 32 OK 11 85 - 13 - 5719/5037=2, 5717/5637=2 HB2 GLU 37 - QD TYR 32 poor 10 81 - 12 - 3.0/4907=3 HB2 LYS 91 - QD TYR 32 lone 9 100 - 9 - HB3 ARG 28 - QD TYR 32 poor 8 63 - 12 - 4.0/4597=3 HB2 LYS 44 - QD TYR 32 lone 7 83 - 9 - 2050/4.6=1 QE MET 11 - QD TYR 32 lone 6 68 - 9 - 4247=2 Peak 4607 from aronoe.peaks (1.67, 6.82, 132.71 ppm; 4.71 A): 4 out of 13 assignments used, quality = 0.98: HB2 LEU 30 + QD TYR 32 OK 70 87 - 81 - 4589/2.2=25, ~4590=23...(14) HD2 LYS 31 + QD TYR 32 OK 63 100 - 63 - 4.9/4598=19, 3.6/4597=18...(11) HD3 LYS 31 + QD TYR 32 OK 63 100 - 63 - 4.9/4598=19, 3.6/4597=18...(11) HB3 LYS 31 + QD TYR 32 OK 54 65 - 82 - 4.1/4596=36, 3.0/4598=28...(12) HB3 ARG 27 - QD TYR 32 OK 39 71 - 55 - 4.8/5997=14, 3.5/4539=13...(16) HB3 GLU 51 - QD TYR 32 OK 27 97 - 28 - 5068/4613=9, 4619/2.2=3...(9) HB3 LEU 73 - QD TYR 32 OK 26 100 - 26 - 3.1/5708=5, 3.1/4611=3...(8) HG2 ARG 28 - QD TYR 32 OK 14 95 - 15 - 4.6/4597=4, 5665/5687=1...(4) HG3 ARG 28 - QD TYR 32 OK 14 97 - 14 - 4.6/4597=4, 5665/5687=1...(4) HB3 LYS 91 - QD TYR 32 lone 9 93 - 9 - 1.8/4606=1 HG2 LYS 78 - QD TYR 32 poor 9 63 - 14 - 3.5/5832=1, 3.5/5832=1...(4) HB3 LYS 14 - QD TYR 32 lone 2 65 - 4 - HB2 LYS 14 - QD TYR 32 lone 2 65 - 4 - Peak 4608 from aronoe.peaks (1.52, 6.82, 132.71 ppm; 3.63 A): 4 out of 16 assignments used, quality = 0.97: QB ALA 71 + QD TYR 32 OK 78 100 - 78 - 5638/2.2=34, 5637=23...(16) QB ALA 72 + QD TYR 32 OK 52 73 - 71 - 5698/2.2=24, ~5690=15...(13) HB3 LYS 26 + QD TYR 32 OK 45 100 - 46 - 1.8/4609=8, 4620/2.2=4...(22) HG LEU 30 + QD TYR 32 OK 42 76 - 56 - ~4593=13, ~4590=10...(15) HG3 ARG 27 - QD TYR 32 OK 36 100 - 36 - 3.9/5997=9, 3.0/4539=7...(9) HD2 LYS 17 - QD TYR 32 OK 25 99 - 25 - 3.0/4541=3, 3.0/4541=3...(9) HD3 LYS 17 - QD TYR 32 OK 25 99 - 25 - 3.0/4541=3, 3.0/4541=3...(9) HG LEU 34 - QD TYR 32 OK 14 100 - 14 - 2.1/4610=2, ~4615=1, 4620/2.2=1 HD3 LYS 64 - QD TYR 32 OK 13 99 - 13 - 2.9/4612=2, 5439/4925=2...(4) HG2 GLU 37 - QD TYR 32 lone 9 92 - 10 - 1.8/4907=2 HB2 LYS 56 - QD TYR 32 lone 8 90 - 9 - 4623/2.2=1 HD2 LYS 56 - QD TYR 32 lone 7 92 - 8 - HB3 LEU 87 - QD TYR 32 lone 5 92 - 6 - HB2 ARG 45 - QD TYR 32 lone 5 99 - 5 - HB2 LEU 85 - QD TYR 32 lone 5 100 - 5 - HB3 LYS 44 - QD TYR 32 lone 4 73 - 6 - Peak 4609 from aronoe.peaks (1.32, 6.82, 132.71 ppm; 3.51 A): 3 out of 8 assignments used, quality = 0.96: HB VAL 50 + QD TYR 32 OK 91 100 - 91 - 5030=29, 2.1/4613=27...(15) HB2 LYS 26 + QD TYR 32 OK 39 89 - 44 - 4621/2.2=6, 1.8/4608=4...(26) HG3 LYS 31 + QD TYR 32 OK 38 68 - 55 - 3.7/4598=14, 3901/4.4=9...(15) HG3 ARG 45 - QD TYR 32 lone 6 99 - 6 - QB ALA 60 - QD TYR 32 lone 5 90 - 6 - HG3 LYS 91 - QD TYR 32 lone 3 71 - 5 - HG2 LYS 91 - QD TYR 32 lone 3 71 - 5 - QB ALA 86 - QD TYR 32 lone 2 92 - 2 - Peak 4610 from aronoe.peaks (1.22, 6.82, 132.71 ppm; 4.22 A): 3 out of 9 assignments used, quality = 1.00: HD2 LYS 68 + QD TYR 32 OK 97 100 - 97 - 5.2/4604=19, ~5570=16...(43) HD3 LYS 68 + QD TYR 32 OK 97 100 - 97 - 5.2/4604=19, ~5570=16...(43) HG3 LYS 26 + QD TYR 32 OK 53 85 - 62 - 2.9/4609=8, 3.9/4540=5...(27) HG2 LYS 17 - QD TYR 32 OK 30 93 - 32 - 3.9/4541=3, 3.9/4541=3...(12) HG13 ILE 35 - QD TYR 32 OK 27 100 - 27 - 4716/4.6=7, 4726/3.7=4...(9) QD1 LEU 34 - QD TYR 32 OK 26 99 - 27 - 4700/4.6=5, 4866/4925=3...(11) HB2 LEU 79 - QD TYR 32 OK 18 65 - 27 - 3.1/5873=8, 4622/2.2=2...(9) HG2 LYS 14 - QD TYR 32 lone 4 76 - 5 - QG2 THR 83 - QD TYR 32 lone 4 96 - 4 - Peak 4611 from aronoe.peaks (0.79, 6.82, 132.71 ppm; 3.70 A): 3 out of 5 assignments used, quality = 0.96: HG3 LYS 68 + QD TYR 32 OK 85 96 - 89 - 3.9/4604=20, 5528/2.2=18...(32) QD1 LEU 30 + QD TYR 32 OK 49 81 - 61 - 4593/2.2=15, ~4590=10...(14) QD1 LEU 23 + QD TYR 32 OK 45 100 - 45 - ~6201=15, 4481/4613=7...(11) QD2 LEU 79 - QD TYR 32 OK 33 99 - 33 - 5873=11, 4616/2.5=3...(8) QD1 LEU 73 - QD TYR 32 OK 20 92 - 22 - 2.1/5708=4, 4616/2.5=2...(5) Peak 4612 from aronoe.peaks (0.70, 6.82, 132.71 ppm; 3.82 A): 2 out of 4 assignments used, quality = 0.97: QG1 VAL 50 + QD TYR 32 OK 94 99 - 95 - 5036/2.2=35, 2.1/4613=32...(18) QG2 VAL 20 + QD TYR 32 OK 50 71 - 71 - ~4408=21, 4410/2.2=19...(17) QD2 LEU 76 - QD TYR 32 OK 34 97 - 36 - 5771/2.5=5, 4626/2.2=4...(14) HG3 LYS 64 - QD TYR 32 OK 17 100 - 17 - 4869/4925=4, 4858/4912=2...(7) Peak 4613 from aronoe.peaks (0.24, 6.82, 132.71 ppm; 4.08 A): 1 out of 1 assignment used, quality = 0.83: QG2 VAL 50 + QD TYR 32 OK 83 87 - 96 - 4625/2.2=36, 2.1/5030=29...(23) Peak 4614 from aronoe.peaks (3.96, 6.66, 117.47 ppm; 4.32 A): 2 out of 6 assignments used, quality = 0.97: HA ALA 72 + QE TYR 32 OK 89 99 - 89 - 2.1/5698=42, 5690=40...(16) HA ALA 71 + QE TYR 32 OK 76 97 - 78 - 2.1/5638=43, 3.6/5688=31...(9) HA LEU 23 - QE TYR 32 OK 27 70 - 39 - 3.9/6201=24, 3.0/5568=5...(7) HA LEU 76 - QE TYR 32 OK 24 90 - 27 - 4.0/4626=4, 4.0/4623=4...(12) HA3 GLY 16 - QE TYR 32 OK 10 90 - 11 - 4311/4408=2, 4311/4410=2 HA GLU 25 - QE TYR 32 poor 10 90 - 11 - 3159/5698=2, 338/5688=2...(5) Peak 4615 from aronoe.peaks (3.54, 6.66, 117.47 ppm; 4.39 A): 1 out of 1 assignment used, quality = 0.96: HA LYS 68 + QE TYR 32 OK 96 100 - 96 - 5519=48, 4604/2.2=39...(22) Peak 4616 from aronoe.peaks (2.85, 6.66, 117.47 ppm; 4.64 A): 1 out of 10 assignments used, quality = 1.00: HB3 TYR 32 + QE TYR 32 OK 100 100 - 100 - 4.4=100 HE3 LYS 17 - QE TYR 32 OK 29 100 - 29 - 4541/2.2=5, ~4541=4...(12) HE2 LYS 17 - QE TYR 32 OK 28 98 - 29 - 4541/2.2=5, ~4541=4...(12) HB3 ASN 24 - QE TYR 32 OK 19 100 - 19 - 4541/2.2=3, 4394/4408=2...(8) HB2 ASN 18 - QE TYR 32 OK 18 100 - 18 - 2035/2.2=3, 4394/4408=2...(7) HB3 ASN 18 - QE TYR 32 OK 18 99 - 18 - 2035/2.2=3, 4394/4408=2...(7) HB3 ASN 63 - QE TYR 32 lone 10 99 - 10 - 4541/2.2=2, 2017/4.4=1...(4) HE2 LYS 65 - QE TYR 32 lone 5 68 - 7 - 4884/4924=1 HE3 LYS 65 - QE TYR 32 lone 4 57 - 6 - HB2 ASN 90 - QE TYR 32 lone 3 75 - 4 - Peak 4617 from aronoe.peaks (2.51, 6.66, 117.47 ppm; 4.44 A): 4 out of 4 assignments used, quality = 1.00: HB2 TYR 32 + QE TYR 32 OK 99 99 - 100 - 4.4=100 HG2 MET 48 + QE TYR 32 OK 55 75 - 73 - 3.3/4924=22, 4912/2.2=13...(20) HE2 LYS 26 + QE TYR 32 OK 48 98 - 49 - 3.0/4623=8, 4540/2.2=7...(19) HE3 LYS 26 + QE TYR 32 OK 47 95 - 49 - 3.0/4623=8, 4540/2.2=7...(19) Peak 4618 from aronoe.peaks (1.96, 6.66, 117.47 ppm; 4.62 A): 4 out of 13 assignments used, quality = 0.95: HB VAL 20 + QE TYR 32 OK 65 75 - 87 - 2.1/4408=45, 2.1/4410=38...(10) HE3 LYS 68 + QE TYR 32 OK 64 68 - 95 - 1.8/5570=35, 5568=26...(20) HB2 LEU 76 + QE TYR 32 OK 38 91 - 41 - 3.1/4626=5, 3.1/4623=5...(16) HB2 GLU 33 + QE TYR 32 OK 35 86 - 40 - 4640/5.7=9, 4605/2.2=6...(10) HB2 PRO 19 - QE TYR 32 OK 27 84 - 32 - 4.9/4405=18, 5681/5698=3...(5) HB2 GLU 51 - QE TYR 32 OK 25 99 - 25 - 5065/4625=12, 1.8/4619=3...(4) HB3 PRO 19 - QE TYR 32 OK 23 75 - 31 - 4.9/4405=18, 5681/5698=3...(5) HG2 PRO 19 - QE TYR 32 OK 17 100 - 17 - 4380/5698=3, 5667/5688=2...(5) HB2 GLN 58 - QE TYR 32 OK 14 100 - 14 - 5664/5638=3, 5647/5630=1 HB2 GLU 77 - QE TYR 32 OK 13 100 - 13 - ~4739=2, 4605/2.2=1, 4455/4410=1 HB3 GLU 22 - QE TYR 32 OK 12 86 - 14 - 6120/5698=2, 1498/4408=2...(5) HG3 PRO 84 - QE TYR 32 OK 11 95 - 11 - 4605/2.2=1 HB3 PRO 81 - QE TYR 32 poor 10 98 - 10 - 3482/4405=3, 5681/5698=1 Peak 4619 from aronoe.peaks (1.68, 6.66, 117.47 ppm; 4.21 A): 4 out of 11 assignments used, quality = 0.94: HB2 LEU 30 + QE TYR 32 OK 70 98 - 71 - 1.8/4590=23, 3.1/4593=23...(14) HB3 LYS 31 + QE TYR 32 OK 56 88 - 63 - 4.1/653=24, ~4597=16...(12) HB3 ARG 27 + QE TYR 32 OK 42 91 - 46 - 4.8/4601=16, ~4539=7...(14) HD3 LYS 31 + QE TYR 32 OK 26 97 - 27 - 3903/6.4=6, 3.0/4624=5...(7) HD2 LYS 31 - QE TYR 32 OK 26 95 - 27 - 3903/6.4=6, 3.0/4624=5...(7) HB3 GLU 51 - QE TYR 32 OK 20 100 - 21 - 5068/4625=7, 5088/5688=3...(5) HB3 LEU 73 - QE TYR 32 OK 18 95 - 19 - 5703/5688=3, ~5708=3...(7) HG3 ARG 28 - QE TYR 32 poor 8 80 - 10 - 4.6/4599=4, 5665/5688=2 HG2 ARG 28 - QE TYR 32 lone 7 75 - 10 - 4.6/4599=4, 5665/5688=2 HG2 LYS 78 - QE TYR 32 lone 7 86 - 8 - 5814/4593=2 HB3 LYS 91 - QE TYR 32 lone 4 100 - 4 - Peak 4620 from aronoe.peaks (1.51, 6.66, 117.47 ppm; 3.20 A): 4 out of 16 assignments used, quality = 0.95: QB ALA 71 + QE TYR 32 OK 73 98 - 75 - 5638=34, 3.7/5688=17...(13) QB ALA 72 + QE TYR 32 OK 60 84 - 71 - 5698=27, 2.9/5688=21...(14) HB3 LYS 26 + QE TYR 32 OK 34 99 - 34 - 1.8/4621=5, 3.6/4623=4...(12) HG3 ARG 27 + QE TYR 32 OK 29 99 - 29 - 3.9/4601=11, ~4539=4...(6) HG LEU 30 - QE TYR 32 OK 27 62 - 43 - 2.1/4593=12, 3.0/4590=10...(10) HD3 LYS 17 - QE TYR 32 OK 14 100 - 14 - 3.0/4616=2, 3.0/4616=2...(7) HD2 LYS 17 - QE TYR 32 OK 14 100 - 14 - 3.0/4616=2, 3.0/4616=2...(7) HD3 LYS 64 - QE TYR 32 lone 9 95 - 10 - 5439/4924=1, 2882/5036=1 HG LEU 34 - QE TYR 32 lone 9 100 - 9 - 2.1/4622=1 HB2 LYS 56 - QE TYR 32 lone 8 96 - 9 - HG2 GLU 37 - QE TYR 32 lone 5 97 - 5 - ~4907=1 HB2 LEU 85 - QE TYR 32 lone 5 100 - 5 - HD2 LYS 56 - QE TYR 32 lone 5 82 - 6 - HB3 LEU 87 - QE TYR 32 lone 5 82 - 6 - HB2 ARG 45 - QE TYR 32 lone 3 100 - 3 - HB3 LYS 44 - QE TYR 32 lone 2 60 - 3 - Peak 4621 from aronoe.peaks (1.32, 6.66, 117.47 ppm; 3.72 A): 2 out of 7 assignments used, quality = 0.96: HB VAL 50 + QE TYR 32 OK 92 100 - 92 - 5031=35, 2.1/5036=33...(20) HB3 LYS 68 + QE TYR 32 OK 53 62 - 85 - 3.0/4615=23, 2.9/5528=16...(23) HB2 LYS 26 - QE TYR 32 OK 43 95 - 45 - 4609/2.2=8, 3.6/4623=5...(17) HG3 LYS 31 - QE TYR 32 OK 31 80 - 39 - ~4597=10, 4609/2.2=7...(11) HG3 ARG 45 - QE TYR 32 lone 6 100 - 6 - 4609/2.2=1 QB ALA 60 - QE TYR 32 lone 5 96 - 5 - QB ALA 86 - QE TYR 32 lone 1 82 - 2 - Peak 4622 from aronoe.peaks (1.23, 6.66, 117.47 ppm; 4.48 A): 2 out of 10 assignments used, quality = 1.00: HD3 LYS 68 + QE TYR 32 OK 96 100 - 96 - 3.0/5570=27, 3.0/5568=24...(27) HD2 LYS 68 + QE TYR 32 OK 96 100 - 96 - 3.0/5570=27, 3.0/5568=24...(27) HG3 LYS 26 - QE TYR 32 OK 41 73 - 56 - 3.0/4623=8, 2.9/4621=7...(20) HB3 LEU 23 - QE TYR 32 OK 30 57 - 52 - 3.1/6201=29, 1.8/5568=6...(13) HG2 LYS 17 - QE TYR 32 OK 28 98 - 28 - 4610/2.2=3, 3.9/4616=3...(9) HB2 LEU 79 - QE TYR 32 OK 28 78 - 35 - ~5873=6, 3.1/4626=4...(17) QD1 LEU 34 - QE TYR 32 OK 22 94 - 24 - 4610/2.2=3, 4866/4924=3...(9) HG13 ILE 35 - QE TYR 32 OK 20 100 - 20 - 4726/5.7=3, 4610/2.2=3...(8) QG2 THR 83 - QE TYR 32 lone 4 88 - 5 - HG2 LYS 14 - QE TYR 32 lone 4 62 - 6 - Peak 4623 from aronoe.peaks (0.90, 6.66, 117.47 ppm; 3.73 A): 4 out of 6 assignments used, quality = 0.93: HB3 LEU 30 + QE TYR 32 OK 65 100 - 65 - 3.1/4593=17, 4590=16...(16) QD2 LEU 23 + QE TYR 32 OK 53 96 - 55 - 6201=25, 4480/4625=10...(16) HD3 LYS 26 + QE TYR 32 OK 43 100 - 43 - 3.6/4621=4, 3.0/4617=4...(21) QD1 LEU 76 + QE TYR 32 OK 25 80 - 32 - 2.1/4626=5, ~4612=3...(13) QD1 LEU 87 - QE TYR 32 lone 9 98 - 10 - 1907/4593=1 QD1 LEU 85 - QE TYR 32 lone 7 95 - 7 - Peak 4624 from aronoe.peaks (0.72, 6.66, 117.47 ppm; 3.24 A): 4 out of 8 assignments used, quality = 0.93: QG2 VAL 20 + QE TYR 32 OK 64 99 - 64 - 2.1/4408=25, 4410=19...(13) QG1 VAL 20 + QE TYR 32 OK 51 80 - 63 - 4408=24, 2.1/4410=18...(16) QG1 VAL 50 + QE TYR 32 OK 50 62 - 80 - 2.1/4625=23, 2.1/5031=21...(18) QD2 LEU 76 + QE TYR 32 OK 27 98 - 28 - 2.1/4623=3, 4612/2.2=3...(12) HG2 LYS 26 - QE TYR 32 OK 23 75 - 31 - 3.0/4623=5, 2.9/4621=4...(12) QD1 LEU 79 - QE TYR 32 OK 18 95 - 19 - ~5873=4, ~4611=2...(6) HG3 LYS 64 - QE TYR 32 OK 10 84 - 12 - 4869/4924=2, 4612/2.2=1 QD1 LEU 12 - QE TYR 32 lone 5 80 - 6 - Peak 4625 from aronoe.peaks (0.24, 6.66, 117.47 ppm; 4.00 A): 1 out of 1 assignment used, quality = 0.84: QG2 VAL 50 + QE TYR 32 OK 84 86 - 97 - 5048=38, 2.1/5036=37...(22) Peak 4626 from aronoe.peaks (1.63, 7.16, 119.63 ppm; 4.72 A): 2 out of 11 assignments used, quality = 0.68: HB3 LYS 14 + HD2 HIS 15 OK 44 87 - 51 - 3.0/4627=24, 1.8/4289=14...(4) HB2 LYS 14 + HD2 HIS 15 OK 44 87 - 51 - 3.0/4627=24, 1.8/4289=14...(4) HD3 LYS 91 - HD2 HIS 15 lone 8 99 - 8 - 3.0/1321=3, 3.0/1321=3 HD2 LYS 91 - HD2 HIS 15 lone 8 98 - 8 - 3.0/1321=3, 3.0/1321=3 HB2 LYS 68 - HD2 HIS 15 lone 4 68 - 5 - 3.5/4298=2, 3.5/4298=2 HG LEU 73 - HD2 HIS 15 lone 2 97 - 2 - HG LEU 23 - HD2 HIS 15 lone 1 87 - 1 - HG LEU 87 - HD2 HIS 15 lone 1 85 - 1 - HB2 LEU 12 - HD2 HIS 15 lone 1 57 - 2 - HG LEU 85 - HD2 HIS 15 lone 1 73 - 1 - HB2 LEU 87 - HD2 HIS 15 lone 1 57 - 1 - Peak 4627 from aronoe.peaks (1.12, 7.16, 119.63 ppm; 4.90 A): 0 out of 4 assignments used, low quality = 0.30: HG3 LYS 14 - HD2 HIS 15 OK 30 83 - 37 - 3.0/4626=13, 3.0/4626=13 QG1 VAL 66 - HD2 HIS 15 lone 4 100 - 4 - QG2 THR 13 - HD2 HIS 15 lone 3 90 - 3 - HG12 ILE 35 - HD2 HIS 15 lone 2 73 - 3 - 1.8/4298=1 Peak 4628 from aronoe.peaks (2.42, 7.09, 119.56 ppm; 4.71 A): 0 out of 2 assignments used, low quality = 0.39: HB3 ASP 43 - HD2 HIS 42 OK 39 90 - 43 - 1.8/4629=23, 4792=19...(4) HG3 GLU 25 - HD2 HIS 42 lone 1 73 - 2 - Peak 4629 from aronoe.peaks (2.56, 7.09, 119.56 ppm; 5.80 A): 0 out of 4 assignments used, low quality = 0.42: HB2 ASP 43 - HD2 HIS 42 OK 42 78 - 54 - 1.8/4628=48, 3.0/4546=8 HB3 PHE 46 - HD2 HIS 42 lone 3 99 - 3 - HB3 ASP 88 - HD2 HIS 42 lone 2 63 - 3 - HG2 MET 48 - HD2 HIS 42 lone 2 63 - 2 - Peak 4630 from aronoe.peaks (4.63, 7.01, 131.21 ppm; 4.28 A): 6 out of 11 assignments used, quality = 0.86: HA ASN 63 + QD PHE 46 OK 69 99 - 69 - 5406=33, 2.9/5403=20...(7) HA ASP 43 + QD PHE 46 OK 19 78 - 24 - 3.0/2385=5, 2236/2.4=4...(9) HA ASP 82 + QD PHE 46 OK 19 97 - 19 - ~6194=3, 3.0/2385=3...(7) HA ASN 24 + QD PHE 46 OK 15 100 - 15 - 4631/2.2=4, 4632/3.8=2...(6) HA PHE 57 + QD PHE 46 OK 11 70 - 16 - 3.6/4646=5, 4000/4.8=3...(5) HA GLU 33 + QD PHE 46 OK 11 99 - 11 - 4631/2.2=2, 4891/4923=1...(5) HA LEU 12 - QD PHE 46 poor 9 82 - 11 - 4.0/4256=3, 4631/2.2=1 HA ARG 27 - QD PHE 46 lone 7 97 - 7 - 4631/2.2=2, 4.1/4541=1 HA THR 38 - QD PHE 46 lone 5 91 - 6 - 2197/4686=2, 3.2/4635=1 HA HIS 42 - QD PHE 46 lone 3 99 - 3 - HA LYS 31 - QD PHE 46 lone 1 57 - 3 - Peak 4631 from aronoe.peaks (4.63, 7.34, 131.20 ppm; 4.37 A): 5 out of 11 assignments used, quality = 0.86: HA ASN 63 + QE PHE 46 OK 72 100 - 72 - 5406/2.2=29, 5407=22...(9) HA ASN 24 + QE PHE 46 OK 21 100 - 21 - 3858=5, 4630/2.2=3...(8) HA ASP 43 + QE PHE 46 OK 17 78 - 22 - 4630/2.2=4, ~2385=3...(9) HA ASP 82 + QE PHE 46 OK 14 97 - 14 - 4630/2.2=4, 3501/4.4=2...(6) HA GLU 33 + QE PHE 46 OK 11 100 - 11 - 4630/2.2=2, 4632/2.2=2 HA PHE 57 - QE PHE 46 poor 8 71 - 11 - 3.0/5241=3, 4630/2.2=2...(4) HA ARG 27 - QE PHE 46 lone 7 97 - 7 - 4630/2.2=2, 4632/2.2=1 HA LEU 12 - QE PHE 46 lone 6 83 - 7 - 4630/2.2=2, 3.0/4741=1 HA THR 38 - QE PHE 46 lone 5 92 - 5 - 4630/2.2=1, 2197/4685=1 HA HIS 42 - QE PHE 46 lone 3 100 - 3 - HA LYS 31 - QE PHE 46 lone 2 57 - 4 - Peak 4632 from aronoe.peaks (4.64, 7.32, 129.90 ppm; 4.73 A): 4 out of 9 assignments used, quality = 0.68: HA ASN 63 + HZ PHE 46 OK 49 81 - 61 - 5406/3.8=19, 5407/2.2=17...(8) HA LYS 56 + HZ PHE 46 OK 18 87 - 21 - 3.0/4643=3, 4.0/4644=3...(8) HA ASN 24 + HZ PHE 46 OK 14 90 - 15 - 3858/2.2=4, ~962=2...(5) HA PHE 57 + HZ PHE 46 OK 11 98 - 11 - ~5241=3, 4805/3.8=2...(5) HA GLU 33 - HZ PHE 46 lone 8 97 - 8 - 4631/2.2=2, 4630/3.8=2, ~4637=1 HA ASP 82 - HZ PHE 46 lone 6 68 - 9 - 4631/2.2=3, 4630/3.8=3 HA ARG 27 - HZ PHE 46 lone 5 68 - 8 - 4.1/4643=1, 4631/2.2=1 HA ASN 90 - HZ PHE 46 lone 3 68 - 5 - 3.0/4640=1 HA HIS 42 - HZ PHE 46 lone 3 97 - 3 - Peak 4633 from aronoe.peaks (1.82, 7.01, 131.21 ppm; 4.30 A): 4 out of 10 assignments used, quality = 0.89: HB2 LYS 44 + QD PHE 46 OK 51 96 - 53 - ~4796=9, ~4638=7...(15) HB2 GLU 37 + QD PHE 46 OK 50 97 - 52 - ~6056=15, 4818/3.7=10...(12) HG LEU 76 + QD PHE 46 OK 32 86 - 37 - 2.1/5787=12, 3.6/5774=7...(9) HB VAL 66 + QD PHE 46 OK 31 88 - 36 - 5474=9, 2.1/4635=8...(8) HB3 GLU 33 - QD PHE 46 lone 9 96 - 9 - 3.0/4630=2, 4637/2.2=1...(4) HB2 GLU 22 - QD PHE 46 lone 6 88 - 7 - HB2 GLU 49 - QD PHE 46 lone 5 82 - 7 - 4818/3.7=1, 4680/4690=1 HG3 GLU 51 - QD PHE 46 lone 5 88 - 5 - 5083/4686=1 HG2 GLU 51 - QD PHE 46 lone 5 86 - 5 - 5083/4686=1 HB3 PRO 84 - QD PHE 46 lone 2 60 - 3 - Peak 4634 from aronoe.peaks (1.20, 7.01, 131.21 ppm; 3.82 A): 5 out of 9 assignments used, quality = 0.93: QD1 LEU 34 + QD PHE 46 OK 77 91 - 84 - 4690=30, 2.1/4686=24...(15) HG3 LYS 44 + QD PHE 46 OK 39 73 - 53 - 4638/2.2=10, 4645/3.8=7...(16) HG3 LYS 26 + QD PHE 46 OK 28 100 - 29 - 4638/2.2=5, 2.9/4514=4...(11) HD2 LYS 68 + QD PHE 46 OK 17 73 - 23 - 4822/2.4=3, 4819/3.7=2...(8) HD3 LYS 68 + QD PHE 46 OK 16 70 - 23 - 4822/2.4=3, ~4822=2...(8) HG2 LYS 14 - QD PHE 46 lone 7 100 - 7 - 4638/2.2=1 HG13 ILE 35 - QD PHE 46 lone 5 62 - 9 - 4823/4.8=3, 2102/4686=1...(4) HG2 ARG 45 - QD PHE 46 lone 5 60 - 8 - 4638/2.2=2, 4645/3.8=2 QG2 THR 83 - QD PHE 46 lone 4 96 - 4 - Peak 4635 from aronoe.peaks (1.06, 7.01, 131.21 ppm; 4.40 A): 3 out of 4 assignments used, quality = 0.93: QD2 LEU 34 + QD PHE 46 OK 88 100 - 88 - 4686=39, 2.1/4690=31...(16) QG2 VAL 66 + QD PHE 46 OK 32 86 - 37 - 2.1/5474=8, 5469/2.2=7...(8) HG2 LYS 56 + QD PHE 46 OK 19 98 - 19 - 2108/4690=3, 2.9/4742=3...(7) QG2 THR 38 - QD PHE 46 lone 5 82 - 6 - Peak 4636 from aronoe.peaks (2.56, 7.34, 131.20 ppm; 4.67 A): 2 out of 5 assignments used, quality = 0.98: HB3 PHE 46 + QE PHE 46 OK 93 93 - 100 - 4.4=100 HB2 PHE 46 + QE PHE 46 OK 76 76 - 100 - 4.4=100 HB2 ASP 43 - QE PHE 46 OK 20 92 - 22 - 2385/2.2=5, 3.0/4631=4...(8) HB3 ASP 82 - QE PHE 46 poor 9 57 - 16 - 2385/2.2=3, 3.0/4631=3...(7) HB3 ASP 88 - QE PHE 46 lone 4 81 - 4 - 2385/2.2=1 Peak 4637 from aronoe.peaks (1.81, 7.34, 131.20 ppm; 4.75 A): 4 out of 13 assignments used, quality = 0.96: HB2 LYS 44 + QE PHE 46 OK 76 100 - 77 - 1.8/4796=16, 2.9/4638=14...(16) HB2 GLU 37 + QE PHE 46 OK 49 100 - 50 - 4633/2.2=9, 3.0/4775=8...(14) HG LEU 76 + QE PHE 46 OK 44 100 - 44 - ~5787=10, ~4735=7...(11) HG3 GLU 37 + QE PHE 46 OK 35 76 - 46 - 1.8/4775=9, ~4633=6...(15) HB2 MET 48 - QE PHE 46 OK 24 89 - 27 - ~2386=6, ~4555=5...(7) HB3 GLU 33 - QE PHE 46 OK 15 100 - 15 - 3.0/4631=2, 4633/2.2=2...(5) HG3 GLU 51 - QE PHE 46 lone 9 100 - 9 - HG2 GLU 51 - QE PHE 46 lone 9 100 - 9 - HB2 LYS 31 - QE PHE 46 lone 6 73 - 8 - HB2 LYS 65 - QE PHE 46 lone 4 76 - 5 - HB2 LYS 91 - QE PHE 46 lone 4 87 - 4 - HB2 ARG 28 - QE PHE 46 lone 3 73 - 4 - HD3 LYS 78 - QE PHE 46 lone 3 65 - 4 - Peak 4638 from aronoe.peaks (1.19, 7.34, 131.20 ppm; 4.46 A): 3 out of 6 assignments used, quality = 0.94: HG3 LYS 44 + QE PHE 46 OK 80 96 - 83 - 4645/2.2=19, 4798=14...(22) QD1 LEU 34 + QE PHE 46 OK 55 65 - 84 - ~4686=21, 4690/2.2=20...(16) HG3 LYS 26 + QE PHE 46 OK 38 90 - 43 - 4634/2.2=6, 4645/2.2=5...(15) HG2 ARG 45 - QE PHE 46 OK 19 89 - 22 - 4645/2.2=5, ~4644=2...(8) HG2 LYS 14 - QE PHE 46 lone 8 96 - 9 - 4645/2.2=2, 4634/2.2=1 QG2 THR 83 - QE PHE 46 lone 3 76 - 3 - Peak 4639 from aronoe.peaks (1.52, 7.34, 131.20 ppm; 4.62 A): 3 out of 16 assignments used, quality = 0.99: HD3 LYS 64 + QE PHE 46 OK 85 99 - 87 - ~4734=16, 1.8/5444=14...(20) HG LEU 34 + QE PHE 46 OK 84 100 - 84 - ~4686=22, ~4690=22...(13) HB3 LYS 44 + QE PHE 46 OK 54 71 - 77 - 2.9/4638=13, 4796=13...(16) HB3 LYS 26 - QE PHE 46 OK 44 100 - 44 - 4516/2.2=8, 2.9/4638=6...(13) HG2 GLU 37 - QE PHE 46 OK 40 93 - 43 - 4775=7, 4775/2.2=6...(13) QB ALA 71 - QE PHE 46 OK 31 100 - 31 - 2.9/336=6, 2.1/4214=5...(9) HB2 LYS 56 - QE PHE 46 OK 27 92 - 30 - 1.8/4741=4, ~4632=3...(10) HD2 LYS 56 - QE PHE 46 OK 26 90 - 29 - ~4643=3, ~4635=3...(13) QB ALA 72 - QE PHE 46 OK 18 76 - 23 - 2.1/4216=4, 3.6/1077=4...(8) HB2 ARG 45 - QE PHE 46 OK 17 99 - 18 - 2.9/4638=3, ~4645=3...(7) HD2 LYS 17 - QE PHE 46 OK 17 99 - 17 - ~4690=3, 3.0/4689=2...(5) HD3 LYS 17 - QE PHE 46 OK 17 99 - 17 - ~4690=3, 3.0/4689=2...(5) HG3 ARG 27 - QE PHE 46 OK 15 100 - 15 - ~4541=3, ~4643=1...(4) HG LEU 30 - QE PHE 46 lone 6 73 - 8 - ~4594=3 HB2 LEU 85 - QE PHE 46 lone 4 100 - 4 - HB3 LEU 87 - QE PHE 46 lone 3 90 - 3 - Peak 4640 from aronoe.peaks (2.73, 7.32, 129.90 ppm; 4.63 A): 3 out of 4 assignments used, quality = 0.94: HE3 LYS 64 + HZ PHE 46 OK 67 99 - 67 - 3.8/5442=15, 4740/2.2=10...(16) HE2 LYS 64 + HZ PHE 46 OK 65 98 - 66 - 3.8/5442=15, 4740/2.2=9...(16) HE3 LYS 44 + HZ PHE 46 OK 49 78 - 63 - 3.5/4645=17, 3.0/4644=13...(11) HB3 ASN 90 - HZ PHE 46 lone 6 83 - 7 - 4740/2.2=1 Peak 4641 from aronoe.peaks (2.55, 7.32, 129.90 ppm; 4.75 A): 2 out of 3 assignments used, quality = 0.75: HB3 PHE 46 + HZ PHE 46 OK 69 100 - 69 - 5.8=55, 2.4/4558=21...(7) HG2 MET 48 + HZ PHE 46 OK 20 78 - 25 - 2386/3.8=8, 2366/7.2=2...(9) HB2 ASP 43 - HZ PHE 46 poor 8 63 - 13 - 4636/2.2=3, 2386/3.8=3...(4) Peak 4642 from aronoe.peaks (1.52, 7.32, 129.90 ppm; 4.84 A): 3 out of 16 assignments used, quality = 0.95: HD3 LYS 64 + HZ PHE 46 OK 76 99 - 77 - 2.9/5442=19, 3.0/4640=12...(13) HG LEU 34 + HZ PHE 46 OK 59 100 - 59 - ~4685=14, ~4689=13...(8) HB3 LYS 44 + HZ PHE 46 OK 53 71 - 75 - 2.9/4645=20, 4796=13...(14) HB3 LYS 26 - HZ PHE 46 OK 33 100 - 33 - 4516/3.8=7, 1.8/4644=6...(8) HG2 GLU 37 - HZ PHE 46 OK 32 93 - 35 - 4775/2.2=9, 4775=7...(11) HB2 LYS 56 - HZ PHE 46 OK 29 92 - 31 - 3.0/4632=5, 3.4/4643=4...(11) HD2 LYS 56 - HZ PHE 46 OK 26 90 - 29 - 1.8/4643=5, 3.0/4644=4...(10) QB ALA 71 - HZ PHE 46 OK 26 100 - 26 - 2.9/336=6, ~336=5...(8) HB2 ARG 45 - HZ PHE 46 OK 19 99 - 20 - 2.9/4645=5, 6015/4645=3...(5) HG3 ARG 27 - HZ PHE 46 OK 12 100 - 12 - 1.8/4643=2, 4.1/4632=1 QB ALA 72 - HZ PHE 46 OK 12 76 - 16 - ~4216=4, 5695/2.2=3...(5) HD2 LYS 17 - HZ PHE 46 OK 12 99 - 12 - ~4689=2, 3.0/4689=1...(6) HD3 LYS 17 - HZ PHE 46 OK 12 99 - 12 - ~4689=2, 3.0/4689=1...(6) HB2 LEU 85 - HZ PHE 46 lone 4 100 - 4 - HG LEU 30 - HZ PHE 46 lone 3 73 - 5 - HB3 LEU 87 - HZ PHE 46 lone 3 90 - 3 - Peak 4643 from aronoe.peaks (1.40, 7.32, 129.90 ppm; 4.59 A): 6 out of 9 assignments used, quality = 0.89: HD2 LYS 44 + HZ PHE 46 OK 62 81 - 77 - 3.0/4645=18, 1.8/4644=16...(15) HB3 LEU 34 + HZ PHE 46 OK 35 78 - 44 - ~4685=10, 3.1/4689=10...(7) HD3 LYS 56 + HZ PHE 46 OK 23 99 - 23 - 3.0/4644=3, 5.3/4632=3...(9) QB ALA 67 + HZ PHE 46 OK 23 60 - 38 - 5488/3.8=11, ~5485=7...(6) HB3 LYS 56 + HZ PHE 46 OK 17 78 - 22 - 3.0/4632=5, 2.9/4644=3...(8) QB ALA 69 + HZ PHE 46 OK 10 92 - 11 - 3.6/847=5 HG2 ARG 27 - HZ PHE 46 poor 10 87 - 11 - 4541/3.8=2, 4.1/4632=1...(4) HG2 LYS 31 - HZ PHE 46 lone 7 99 - 7 - 1.8/4644=1, 1953/4644=1 HB3 LEU 12 - HZ PHE 46 lone 4 73 - 5 - Peak 4644 from aronoe.peaks (1.30, 7.32, 129.90 ppm; 4.63 A): 5 out of 9 assignments used, quality = 0.92: HD3 LYS 44 + HZ PHE 46 OK 77 99 - 79 - 3.0/4645=19, 4800=18...(15) QB ALA 60 + HZ PHE 46 OK 27 97 - 28 - 5348/3.8=6, 5347=6...(6) HB2 LYS 26 + HZ PHE 46 OK 27 97 - 27 - 4514/3.8=6, 2.9/4645=5...(8) HG3 LYS 56 + HZ PHE 46 OK 21 85 - 25 - 3.0/4643=4, 4.0/4632=4...(10) HG3 ARG 45 + HZ PHE 46 OK 15 85 - 18 - 1.8/4645=5, ~4638=3...(6) HB3 LYS 68 - HZ PHE 46 lone 9 99 - 9 - ~4741=1 HG3 LYS 31 - HZ PHE 46 lone 7 100 - 7 - 1.8/4643=2 HG3 LYS 17 - HZ PHE 46 lone 6 63 - 9 - ~4689=2, 1.8/4689=2 HB VAL 50 - HZ PHE 46 lone 4 68 - 6 - ~5039=3 Peak 4645 from aronoe.peaks (1.18, 7.32, 129.90 ppm; 4.90 A): 3 out of 4 assignments used, quality = 0.88: HG3 LYS 44 + HZ PHE 46 OK 81 100 - 81 - 4638/2.2=16, 3.0/4644=14...(19) HG3 LYS 26 + HZ PHE 46 OK 23 73 - 31 - 4638/2.2=8, 2.9/4644=5...(9) HG2 ARG 45 + HZ PHE 46 OK 20 98 - 20 - 4638/2.2=4, 1.8/4644=3...(8) HG2 LYS 14 - HZ PHE 46 lone 7 83 - 8 - 4638/2.2=2 Peak 4646 from aronoe.peaks (8.63, 7.01, 131.21 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: H VAL 47 + QD PHE 46 OK 100 100 - 100 - 4.8=100 H GLN 58 - QD PHE 46 OK 30 94 - 32 - 3950/2.4=7, 3949/2.4=7...(7) Peak 4647 from aronoe.peaks (9.02, 7.01, 131.21 ppm; 4.62 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4648 from aronoe.peaks (8.63, 7.16, 132.47 ppm; 4.61 A): 1 out of 2 assignments used, quality = 0.99: H GLN 58 + QD PHE 57 OK 99 99 - 100 - 4.5=100 H VAL 47 - QD PHE 57 OK 30 98 - 31 - 4001/2.5=7, 4000/3.7=6...(7) Peak 4649 from aronoe.peaks (8.80, 7.16, 132.47 ppm; 3.93 A): 1 out of 4 assignments used, quality = 0.93: H PHE 57 + QD PHE 57 OK 93 100 - 94 - 4.4=73, 2.9/2704=29...(15) H LEU 34 - QD PHE 57 OK 24 100 - 24 - 2699/3.7=5, 2705/2.5=4...(9) H GLY 54 - QD PHE 57 OK 23 92 - 25 - 235/2.5=4, 2705/2.5=4...(11) H ASN 18 - QD PHE 57 OK 20 95 - 21 - 773=4, 2699/3.7=3...(7) Peak 4650 from aronoe.peaks (9.39, 7.16, 132.47 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.83: H VAL 52 + QD PHE 57 OK 83 96 - 86 - 4652/2.2=35, 3.6/5085=24...(17) Peak 4651 from aronoe.peaks (8.20, 7.21, 131.28 ppm; 4.76 A): 2 out of 4 assignments used, quality = 0.97: H LEU 79 + QE PHE 57 OK 85 99 - 86 - 5853/2.2=19, 4.4/4660=16...(32) H LYS 56 + QE PHE 57 OK 81 100 - 81 - 4.7/4658=15, 4.6/5186=14...(23) H LEU 87 - QE PHE 57 OK 29 98 - 30 - 2.9/4656=3, 4.7/4665=2...(11) HE21 GLN 58 - QE PHE 57 OK 20 93 - 22 - 247/6.4=3, 4.6/5987=1 Peak 4652 from aronoe.peaks (9.38, 7.21, 131.28 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.79: H VAL 52 + QE PHE 57 OK 79 100 - 79 - 4650/2.2=33, 5094/2.2=17...(16) Peak 4653 from aronoe.peaks (6.59, 7.16, 132.47 ppm; 4.00 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4654 from aronoe.peaks (3.17, 7.21, 131.28 ppm; 4.77 A): 4 out of 6 assignments used, quality = 1.00: HB2 PHE 57 + QE PHE 57 OK 98 98 - 100 - 4.4=100 HB2 PHE 80 + QE PHE 57 OK 78 100 - 79 - 3430=14, 1.8/3436=14...(24) HD2 ARG 27 + QE PHE 57 OK 57 97 - 59 - ~4542=9, ~5996=9...(19) HD3 PRO 81 + QE PHE 57 OK 53 86 - 62 - 1.8/5910=10, 5907=9...(17) HD2 ARG 28 - QE PHE 57 OK 16 94 - 17 - 2725/2.2=3, ~4567=2...(6) HB3 HIS 42 - QE PHE 57 lone 2 62 - 3 - Peak 4655 from aronoe.peaks (2.16, 6.93, 127.99 ppm; 4.16 A): 3 out of 6 assignments used, quality = 0.96: HG2 GLN 55 + HZ PHE 57 OK 79 99 - 80 - 4658/2.2=20, 1.8/5192=19...(18) HB VAL 52 + HZ PHE 57 OK 68 100 - 68 - 4658/2.2=18, 4.0/5094=12...(16) HB VAL 52 + HZ PHE 80 OK 43 82 - 52 - ~5105=12, 5191=9...(12) HG2 GLN 55 - HZ PHE 80 OK 30 80 - 37 - 1.8/5192=9, 2.9/5185=7...(11) HB3 MET 21 - HZ PHE 57 OK 19 97 - 20 - 4658/2.2=5, 4667/3.8=3...(8) HB3 MET 21 - HZ PHE 80 lone 7 76 - 9 - 5847/5867=1, 6110/5742=1 Peak 4656 from aronoe.peaks (4.25, 7.21, 131.28 ppm; 4.89 A): 2 out of 7 assignments used, quality = 0.98: HA LYS 78 + QE PHE 57 OK 87 100 - 87 - 3.0/4660=22, 3.7/4662=19...(20) HA VAL 52 + QE PHE 57 OK 83 90 - 92 - 3.0/4652=38, ~4650=24...(23) HA ASP 53 - QE PHE 57 OK 25 86 - 29 - 4.8/5097=11, 5150/5184=3...(9) HA LEU 87 - QE PHE 57 OK 24 95 - 26 - 2.9/4651=5, 4.1/4665=3...(9) HA LEU 85 - QE PHE 57 OK 14 100 - 14 - 4.0/4665=2, 4.0/4664=1 HA ALA 89 - QE PHE 57 lone 5 100 - 5 - HA3 GLY 39 - QE PHE 57 lone 3 90 - 3 - Peak 4657 from aronoe.peaks (2.81, 7.21, 131.28 ppm; 4.85 A): 3 out of 5 assignments used, quality = 1.00: HB3 PHE 57 + QE PHE 57 OK 100 100 - 100 - 4.4=100 HE3 LYS 56 + QE PHE 57 OK 54 99 - 54 - 4567/2.2=12, ~4567=9...(12) HE2 LYS 56 + QE PHE 57 OK 52 96 - 54 - 4567/2.2=11, ~4567=9...(12) HB3 ASP 53 - QE PHE 57 OK 19 77 - 25 - 5846/4666=4, 5144/5184=4...(9) HB2 ASN 90 - QE PHE 57 poor 8 65 - 12 - ~4565=2, 3.0/2718=2...(7) Peak 4658 from aronoe.peaks (2.15, 7.21, 131.28 ppm; 3.48 A): 3 out of 3 assignments used, quality = 0.92: HG2 GLN 55 + QE PHE 57 OK 73 96 - 77 - 5100=14, 1.8/5193=11...(24) HB VAL 52 + QE PHE 57 OK 65 99 - 66 - 4.0/4652=16, 5100=13...(17) HB3 MET 21 + QE PHE 57 OK 17 99 - 17 - 4667/2.2=3, 4655/2.2=2 Peak 4659 from aronoe.peaks (2.02, 7.21, 131.28 ppm; 3.33 A): 3 out of 9 assignments used, quality = 0.95: HB2 GLN 55 + QE PHE 57 OK 70 93 - 75 - 5186=13, 2.9/4658=12...(23) HG3 GLN 55 + QE PHE 57 OK 69 91 - 75 - 1.8/4658=16, 2.9/5186=10...(26) HB2 LYS 78 + QE PHE 57 OK 43 59 - 72 - 1.8/4660=15, 2.8/4662=12...(19) HA ALA 75 - QE PHE 57 OK 35 59 - 58 - 4235=11, ~5741=9...(13) HB2 LEU 23 - QE PHE 57 OK 23 99 - 23 - 3.1/4483=5, 3.1/4664=4...(6) HG2 GLU 49 - QE PHE 57 OK 15 99 - 15 - 4935/6.4=3, 4948/5.6=2...(5) HB3 GLU 49 - QE PHE 57 OK 12 99 - 12 - 4937/6.4=2, 4668/2.2=2...(4) HB2 LEU 34 - QE PHE 57 lone 3 62 - 4 - 2075/6.4=1, 4667/5.6=1 HG2 PRO 84 - QE PHE 57 lone 2 65 - 4 - Peak 4660 from aronoe.peaks (1.87, 7.21, 131.28 ppm; 3.70 A): 3 out of 12 assignments used, quality = 0.88: HB3 LYS 78 + QE PHE 57 OK 81 100 - 81 - 3307=17, 2.8/4662=15...(20) HG2 PRO 81 + QE PHE 57 OK 28 96 - 29 - 2.3/5910=5, 2.3/5907=5...(7) HG3 PRO 19 + QE PHE 57 OK 12 100 - 12 - 4675/2.2=1 HB2 GLU 49 - QE PHE 57 poor 8 67 - 12 - 1.8/4659=2, 3.0/5986=2...(5) HB3 PRO 84 - QE PHE 57 lone 6 88 - 7 - HB3 GLU 37 - QE PHE 57 lone 5 97 - 5 - HB ILE 35 - QE PHE 57 lone 5 100 - 5 - HB3 GLN 58 - QE PHE 57 lone 4 82 - 5 - 4.6/4651=1 HB2 GLU 22 - QE PHE 57 lone 4 59 - 7 - 1.8/4083=1 HB3 MET 11 - QE PHE 57 lone 3 80 - 4 - HB2 MET 11 - QE PHE 57 lone 3 75 - 4 - HB VAL 66 - QE PHE 57 lone 1 59 - 2 - Peak 4661 from aronoe.peaks (1.76, 7.21, 131.28 ppm; 3.62 A): 3 out of 15 assignments used, quality = 0.96: HB3 GLN 55 + QE PHE 57 OK 71 90 - 79 - 1.8/5186=15, 2.9/4658=14...(21) HD3 LYS 78 + QE PHE 57 OK 68 86 - 79 - 2.9/4662=14, 3347=13...(22) QB ALA 74 + QE PHE 57 OK 60 97 - 62 - 5730/2.2=23, 5720/4.4=9...(10) HB2 ARG 27 - QE PHE 57 OK 38 97 - 39 - 1.8/4662=7, ~4542=5...(13) HB2 LYS 65 - QE PHE 57 OK 13 77 - 16 - 1.8/4662=2, ~5188=2...(6) HB3 ARG 28 - QE PHE 57 OK 12 100 - 12 - 4669/2.2=2, 5253/4.4=2, ~4669=1 HB2 LEU 73 - QE PHE 57 OK 11 95 - 12 - 3.1/4665=2 HB2 ARG 28 - QE PHE 57 poor 9 80 - 12 - 4669/2.2=2, 5253/4.4=2...(4) HB3 LYS 65 - QE PHE 57 poor 9 57 - 15 - 5189=2, 5188/2.2=2...(4) HB2 LYS 31 - QE PHE 57 poor 9 80 - 11 - 1.8/4662=2, 4669/2.2=1 QE MET 11 - QE PHE 57 lone 6 100 - 6 - HB3 MET 48 - QE PHE 57 lone 5 93 - 5 - HG3 GLU 37 - QE PHE 57 lone 4 77 - 6 - HB2 MET 48 - QE PHE 57 lone 3 62 - 6 - HB2 LYS 91 - QE PHE 57 lone 3 65 - 4 - Peak 4662 from aronoe.peaks (1.72, 7.21, 131.28 ppm; 3.59 A): 4 out of 8 assignments used, quality = 0.89: HG2 LYS 78 + QE PHE 57 OK 77 93 - 83 - 3317=18, 5826/2.2=17...(24) HB3 ARG 27 + QE PHE 57 OK 32 88 - 37 - ~4542=5, 1.8/4661=4...(15) HB2 LEU 30 + QE PHE 57 OK 18 73 - 25 - 1.8/4664=6, 3.1/4665=3...(7) HB3 LYS 65 + QE PHE 57 OK 10 82 - 12 - 1.8/4661=1, 5189=1, 3.0/5990=1 HB3 LYS 31 - QE PHE 57 lone 9 91 - 9 - HB3 LYS 17 - QE PHE 57 lone 5 99 - 5 - HB2 LYS 17 - QE PHE 57 lone 5 99 - 5 - HB3 LYS 91 - QE PHE 57 lone 2 62 - 4 - Peak 4663 from aronoe.peaks (1.47, 7.21, 131.28 ppm; 3.97 A): 3 out of 9 assignments used, quality = 0.98: HG3 LYS 78 + QE PHE 57 OK 79 90 - 89 - 1.8/4662=21, 2.8/4660=17...(23) HG LEU 79 + QE PHE 57 OK 78 100 - 78 - 2.1/4666=16, 5865/2.2=12...(21) HB3 LEU 76 + QE PHE 57 OK 55 97 - 57 - 3.1/4666=8, 2.9/4240=8...(17) HB2 LYS 56 - QE PHE 57 OK 23 59 - 39 - 4.0/4651=7, ~4565=6...(10) QB ALA 72 - QE PHE 57 OK 18 80 - 23 - 5696/2.2=10, 4680/2.2=1 HG LEU 12 - QE PHE 57 OK 16 98 - 16 - 2.1/4666=2, 5865/2.2=2 HD2 LYS 64 - QE PHE 57 OK 12 88 - 14 - ~4673=2, ~5262=2, 2.9/4666=2 HG2 LYS 65 - QE PHE 57 OK 10 65 - 16 - 3.0/5189=2, ~5188=2...(4) HB3 ARG 45 - QE PHE 57 lone 2 84 - 3 - Peak 4664 from aronoe.peaks (0.91, 7.21, 131.28 ppm; 3.79 A): 4 out of 6 assignments used, quality = 0.80: QG2 VAL 52 + QE PHE 57 OK 50 67 - 74 - 4.0/4652=19, 2.1/4658=16...(19) QD2 LEU 23 + QE PHE 57 OK 30 100 - 30 - 2.1/4483=9, 4671/2.2=5...(7) HD3 LYS 26 + QE PHE 57 OK 25 91 - 27 - 1.8/4665=6, 3.0/4666=4...(6) HB3 LEU 30 + QE PHE 57 OK 24 91 - 26 - 1.8/4662=5, 3.1/4665=4...(8) QD1 LEU 87 - QE PHE 57 poor 10 82 - 12 - 2.1/4665=3, 4.7/4651=2 QD1 LEU 85 - QE PHE 57 lone 6 75 - 8 - 2.1/4665=2 Peak 4665 from aronoe.peaks (0.85, 7.21, 131.28 ppm; 4.19 A): 5 out of 9 assignments used, quality = 0.85: QB ALA 75 + QE PHE 57 OK 59 77 - 76 - 5741/2.2=18, 2.1/4235=17...(17) HD2 LYS 26 + QE PHE 57 OK 33 100 - 33 - 1.8/4664=7, 3.0/4666=4...(10) QD2 LEU 30 + QE PHE 57 OK 26 77 - 34 - 3.1/4664=5, 4672/2.2=4...(13) QD2 LEU 87 + QE PHE 57 OK 14 100 - 14 - 2.1/4664=3, 4.7/4651=2...(4) QD2 LEU 73 + QE PHE 57 OK 14 99 - 14 - 4672/2.2=1, 3.1/4661=1 QD2 LEU 85 - QE PHE 57 lone 9 97 - 9 - 2.1/4664=2, 4.0/4656=1 QG2 VAL 47 - QE PHE 57 lone 6 99 - 6 - 4672/2.2=1 QG2 ILE 35 - QE PHE 57 lone 4 75 - 6 - 2.1/4660=1 QG1 VAL 47 - QE PHE 57 lone 3 70 - 4 - ~4672=1 Peak 4666 from aronoe.peaks (0.73, 7.21, 131.28 ppm; 3.40 A): 6 out of 7 assignments used, quality = 0.92: QD1 LEU 79 + QE PHE 57 OK 72 99 - 72 - 5866=17, 5867/2.2=11...(23) QD2 LEU 76 + QE PHE 57 OK 46 91 - 50 - 5786=9, 5262/2.2=5...(18) HG2 LYS 26 + QE PHE 57 OK 21 88 - 24 - 3.0/4664=4, 3.0/4665=4...(9) QG2 VAL 20 + QE PHE 57 OK 14 100 - 14 - 5262/2.2=1, 4679/2.2=1 QG1 VAL 20 + QE PHE 57 OK 12 91 - 13 - 4679/2.2=1 QD1 LEU 12 + QE PHE 57 OK 10 91 - 11 - 2.1/4663=1, 4679/2.2=1 HG3 LYS 64 - QE PHE 57 poor 8 70 - 12 - 5262/2.2=2, 5256/4.4=1 Peak 4667 from aronoe.peaks (2.15, 7.16, 132.47 ppm; 4.39 A): 2 out of 3 assignments used, quality = 0.94: HB VAL 52 + QD PHE 57 OK 78 96 - 82 - 4.0/4650=26, 4658/2.2=19...(17) HG2 GLN 55 + QD PHE 57 OK 74 90 - 81 - 4658/2.2=21, 6089=16...(19) HB3 MET 21 - QD PHE 57 OK 20 100 - 20 - 4658/2.2=5, 6110/5741=2...(8) Peak 4668 from aronoe.peaks (2.03, 7.16, 132.47 ppm; 3.98 A): 3 out of 9 assignments used, quality = 0.98: HB2 GLN 55 + QD PHE 57 OK 77 100 - 77 - 5186/2.2=17, 5187=17...(18) HG3 GLN 55 + QD PHE 57 OK 75 100 - 75 - 5193/2.2=15, 1.8/4667=14...(17) HA ALA 75 + QD PHE 57 OK 69 85 - 81 - 2.1/5741=19, 2.9/5738=14...(19) HB3 GLU 49 - QD PHE 57 OK 22 92 - 24 - 4.3/5027=10, 4937/4.4=6...(7) HB2 LEU 23 - QD PHE 57 OK 22 89 - 25 - 3.1/4671=5, ~4483=4...(9) HG2 GLU 49 - QD PHE 57 OK 21 89 - 24 - 4935/4.4=7, 4948/3.7=4...(8) HB2 MET 21 - QD PHE 57 OK 12 71 - 17 - 1.8/4667=4, ~4658=3...(6) QE MET 21 - QD PHE 57 lone 7 76 - 10 - 4.2/4667=2, 6155/4.4=2 HG3 GLU 33 - QD PHE 57 lone 6 65 - 10 - 3915/4.4=3, 2063/3.7=2 Peak 4669 from aronoe.peaks (1.77, 7.16, 132.47 ppm; 3.38 A): 4 out of 14 assignments used, quality = 0.96: QB ALA 74 + QD PHE 57 OK 78 100 - 79 - 5730=27, 5720/2.5=14...(20) HB3 GLN 55 + QD PHE 57 OK 47 81 - 59 - 1.8/5187=10, ~5186=8...(15) HD3 LYS 78 + QD PHE 57 OK 44 95 - 46 - 3347/2.2=9, 5829/3.8=8...(13) HB2 ARG 27 + QD PHE 57 OK 34 100 - 34 - ~4662=4, 5253/2.5=4...(13) HB3 ARG 28 - QD PHE 57 OK 15 100 - 15 - 5253/2.5=2, ~5253=1...(5) HB2 ARG 28 - QD PHE 57 OK 14 90 - 15 - 5253/2.5=2, ~5253=1...(4) HB2 LYS 65 - QD PHE 57 OK 10 89 - 12 - ~5189=1, 1.8/5190=1...(4) HB2 LYS 31 - QD PHE 57 poor 9 90 - 10 - 4604/5046=3 HB2 LEU 73 - QD PHE 57 lone 7 89 - 8 - HG3 GLU 37 - QD PHE 57 lone 5 89 - 6 - HB2 MET 48 - QD PHE 57 lone 5 76 - 7 - 5265/4.5=1 QE MET 11 - QD PHE 57 lone 3 100 - 3 - HB3 MET 48 - QD PHE 57 lone 3 85 - 3 - HB2 LYS 91 - QD PHE 57 lone 2 78 - 3 - Peak 4670 from aronoe.peaks (1.49, 7.16, 132.47 ppm; 4.55 A): 4 out of 12 assignments used, quality = 0.97: HB2 LYS 56 + QD PHE 57 OK 81 99 - 83 - 4.6/773=23, 3.0/4565=13...(36) HG LEU 79 + QD PHE 57 OK 54 87 - 63 - ~4666=12, ~5866=11...(11) QB ALA 72 + QD PHE 57 OK 44 100 - 44 - 5696=19, 5675/5046=6...(13) QB ALA 71 + QD PHE 57 OK 42 65 - 65 - 2.1/5629=17, 4.2/5696=14...(14) HG3 ARG 27 - QD PHE 57 OK 34 71 - 48 - 3.0/4566=6, 2.9/4669=5...(19) HG LEU 34 - QD PHE 57 OK 16 78 - 20 - 2089/4.4=5, 5.1/4649=3...(6) HB3 LYS 26 - QD PHE 57 OK 14 71 - 20 - 3.6/4672=4, ~5992=3...(4) HD2 LYS 17 - QD PHE 57 OK 11 90 - 13 - 249/4.4=2 HD3 LYS 17 - QD PHE 57 OK 11 90 - 13 - 249/4.4=2 HB2 LEU 85 - QD PHE 57 poor 9 83 - 11 - ~4656=1, ~4665=1 HG2 GLU 37 - QD PHE 57 lone 9 98 - 9 - HB2 ARG 45 - QD PHE 57 lone 3 90 - 4 - Peak 4671 from aronoe.peaks (0.92, 7.16, 132.47 ppm; 3.56 A): 5 out of 5 assignments used, quality = 0.92: QG2 VAL 52 + QD PHE 57 OK 65 90 - 72 - 4.0/4650=16, 2.1/4667=11...(20) QG1 VAL 52 + QD PHE 57 OK 57 81 - 71 - 4.0/4650=16, 5104=11...(20) QD2 LEU 23 + QD PHE 57 OK 28 97 - 28 - 4664/2.2=6, 4480/5046=4...(9) HB3 LEU 30 + QD PHE 57 OK 19 71 - 27 - 4664/2.2=5, 5024/5038=4...(11) HD3 LYS 26 + QD PHE 57 OK 15 71 - 21 - 4664/2.2=5, ~4665=3...(8) Peak 4672 from aronoe.peaks (0.86, 7.16, 132.47 ppm; 3.67 A): 4 out of 9 assignments used, quality = 0.93: QB ALA 75 + QD PHE 57 OK 81 99 - 82 - 5741=24, 5759/2.5=13...(21) QD1 LEU 76 + QD PHE 57 OK 44 85 - 52 - 2.1/4673=11, ~5256=6...(17) QD2 LEU 30 + QD PHE 57 OK 24 99 - 25 - 4586/5046=5, 4665/2.2=4...(10) HD2 LYS 26 + QD PHE 57 OK 20 96 - 21 - 4665/2.2=4, ~4664=4...(7) QG2 VAL 47 - QD PHE 57 poor 8 81 - 10 - 3.9/4648=4, 2399/4.5=3 QD2 LEU 73 - QD PHE 57 lone 7 78 - 9 - 4665/2.2=2, 5255/2.5=1 QD2 LEU 87 - QD PHE 57 lone 7 87 - 7 - 4665/2.2=2, ~4664=1 QD2 LEU 85 - QD PHE 57 lone 4 71 - 5 - 4665/2.2=1 QD1 LEU 85 - QD PHE 57 lone 3 63 - 4 - Peak 4673 from aronoe.peaks (0.70, 7.16, 132.47 ppm; 3.59 A): 3 out of 4 assignments used, quality = 0.91: QG1 VAL 50 + QD PHE 57 OK 78 98 - 79 - 5038=43, 5015/2.5=16...(16) QD2 LEU 76 + QD PHE 57 OK 50 97 - 51 - 5256/2.5=9, 5786/2.2=9...(18) HG3 LYS 64 + QD PHE 57 OK 19 100 - 18 - 5256/2.5=3, 5248/4.4=2...(5) QG2 VAL 20 - QD PHE 57 poor 8 73 - 11 - ~5992=1, 4666/2.2=1...(4) Peak 4674 from aronoe.peaks (2.03, 6.93, 127.99 ppm; 3.50 A): 4 out of 16 assignments used, quality = 0.95: HB2 GLN 55 + HZ PHE 57 OK 67 98 - 68 - 5186/2.2=13, 5185=13...(16) HG3 GLN 55 + HZ PHE 57 OK 64 97 - 66 - 5192=12, 2.9/5185=11...(16) HA ALA 75 + HZ PHE 57 OK 34 73 - 46 - 5740=13, 2.1/5742=12...(11) HB2 LEU 23 + HZ PHE 80 OK 31 74 - 41 - ~5874=12, ~4724=5...(13) HB2 GLN 55 - HZ PHE 80 OK 19 77 - 25 - 5185=6, 2.9/5192=5...(7) HG3 GLN 55 - HZ PHE 80 OK 19 76 - 24 - 5192=5, 2.9/5185=5...(6) HB2 LEU 23 - HZ PHE 57 OK 17 96 - 18 - 4659/2.2=3, ~4483=3...(6) HA ALA 75 - HZ PHE 80 OK 13 53 - 25 - 5740=7, 2.1/5742=6...(6) HG2 GLU 49 - HZ PHE 57 OK 11 96 - 12 - 4659/2.2=2, 4948/7.2=2...(4) HB3 GLU 49 - HZ PHE 57 OK 10 97 - 10 - 4937/8.1=2, 4659/2.2=2...(5) HB2 MET 21 - HZ PHE 57 poor 7 57 - 11 - ~4658=2, 1.8/4655=2...(5) QE MET 21 - HZ PHE 57 lone 3 63 - 5 - 4.2/4655=1 HG2 GLU 49 - HZ PHE 80 lone 3 74 - 4 - HB3 GLU 49 - HZ PHE 80 lone 3 76 - 3 - QE MET 21 - HZ PHE 80 lone 2 44 - 3 - HB2 MET 21 - HZ PHE 80 lone 1 40 - 4 - Peak 4675 from aronoe.peaks (1.87, 6.93, 127.99 ppm; 3.87 A): 2 out of 24 assignments used, quality = 0.94: HB3 LYS 78 + HZ PHE 57 OK 88 100 - 88 - 5825=20, 4660/2.2=18...(25) HB3 LYS 78 + HZ PHE 80 OK 53 81 - 65 - 5825=15, 2.8/5826=12...(15) HG2 PRO 81 - HZ PHE 57 OK 27 99 - 27 - 4660/2.2=6, ~5910=4...(11) HG2 PRO 81 - HZ PHE 80 OK 17 80 - 22 - 5914/7.2=4, 3490/5.8=4...(5) HG3 PRO 19 - HZ PHE 57 OK 11 100 - 11 - 4660/2.2=3, 372/5853=1...(4) HB2 GLU 49 - HZ PHE 57 poor 9 81 - 11 - 4660/2.2=2, 1.8/4674=1...(5) HG3 PRO 19 - HZ PHE 80 lone 7 82 - 9 - 4376/5872=1, 372/5853=1 HB3 PRO 84 - HZ PHE 57 lone 6 96 - 7 - 4660/2.2=1 HB3 GLU 37 - HZ PHE 57 lone 5 100 - 5 - 4660/2.2=1 HB3 GLU 37 - HZ PHE 80 lone 5 80 - 6 - HB2 GLU 22 - HZ PHE 57 lone 5 73 - 6 - HB ILE 35 - HZ PHE 57 lone 4 99 - 4 - 4660/2.2=1 HB3 MET 11 - HZ PHE 57 lone 3 68 - 5 - HB3 PRO 84 - HZ PHE 80 lone 3 74 - 4 - HB2 MET 11 - HZ PHE 57 lone 3 63 - 5 - HB ILE 35 - HZ PHE 80 lone 3 79 - 4 - HB2 GLU 49 - HZ PHE 80 lone 3 59 - 5 - HB3 GLN 58 - HZ PHE 57 lone 3 71 - 4 - 5987/2.2=1 HB2 GLU 22 - HZ PHE 80 lone 2 53 - 4 - HB3 GLN 58 - HZ PHE 80 lone 2 51 - 3 - HB3 MET 11 - HZ PHE 80 lone 2 49 - 3 - HB VAL 66 - HZ PHE 57 lone 1 73 - 2 - HB2 MET 11 - HZ PHE 80 lone 1 44 - 3 - HB VAL 66 - HZ PHE 80 lone 1 53 - 2 - Peak 4676 from aronoe.peaks (1.77, 6.93, 127.99 ppm; 3.67 A): 4 out of 28 assignments used, quality = 0.97: HD3 LYS 78 + HZ PHE 57 OK 79 99 - 80 - 5829=17, 2.9/5826=16...(23) QB ALA 74 + HZ PHE 57 OK 52 100 - 52 - 5730/3.8=16, 4.4/5740=10...(9) HD3 LYS 78 + HZ PHE 80 OK 46 78 - 58 - 5829=13, 2.9/5826=11...(12) HB3 GLN 55 + HZ PHE 57 OK 45 68 - 67 - 1.8/5185=15, 2.9/5192=12...(15) HB2 ARG 27 - HZ PHE 80 OK 38 82 - 47 - 2.9/4542=10, ~4541=9...(14) HB2 ARG 27 - HZ PHE 57 OK 38 100 - 38 - 2.9/4542=8, 4.8/5996=5...(11) QB ALA 74 - HZ PHE 80 OK 18 82 - 22 - 4.4/5740=6, 4.5/5742=4...(6) HB2 LYS 65 - HZ PHE 57 OK 15 96 - 16 - 1.8/5188=2, ~5189=2...(4) HB3 GLN 55 - HZ PHE 80 OK 11 49 - 23 - 1.8/5185=7, 2.9/5192=5...(5) HB2 LYS 65 - HZ PHE 80 OK 11 74 - 15 - 1.8/5188=2, 4704/3.8=2...(5) HB2 LYS 31 - HZ PHE 57 OK 11 97 - 11 - ~4662=1 HB3 ARG 28 - HZ PHE 57 lone 10 98 - 10 - 4669/3.8=1, 4661/2.2=1 HB2 ARG 28 - HZ PHE 57 lone 10 97 - 10 - 4669/3.8=1, 5253/5.8=1 HB2 LYS 31 - HZ PHE 80 poor 8 75 - 11 - 1932/4542=1, ~4723=1...(4) HB2 LEU 73 - HZ PHE 57 lone 6 78 - 8 - 4661/2.2=1, ~4665=1 QE MET 11 - HZ PHE 57 lone 6 99 - 6 - HG3 GLU 37 - HZ PHE 57 lone 5 96 - 5 - HB2 MET 48 - HZ PHE 80 lone 5 65 - 7 - ~4719=2, 4720/2.2=1, 4704/3.8=1 HB2 MET 48 - HZ PHE 57 lone 5 87 - 5 - HG3 GLU 37 - HZ PHE 80 lone 4 74 - 6 - HB2 LEU 73 - HZ PHE 80 lone 4 57 - 7 - QE MET 11 - HZ PHE 80 lone 4 79 - 5 - 4243/5872=1 HB3 ARG 28 - HZ PHE 80 lone 4 77 - 5 - HB2 ARG 28 - HZ PHE 80 lone 4 75 - 5 - HB2 LYS 91 - HZ PHE 57 lone 4 89 - 4 - HB3 MET 48 - HZ PHE 80 lone 3 53 - 6 - ~4719=2, ~4720=1 HB3 MET 48 - HZ PHE 57 lone 2 73 - 3 - HB2 LYS 91 - HZ PHE 80 lone 2 66 - 3 - Peak 4677 from aronoe.peaks (1.71, 6.93, 127.99 ppm; 3.61 A): 4 out of 18 assignments used, quality = 0.96: HG2 LYS 78 + HZ PHE 57 OK 83 98 - 85 - 5826=24, 4662/2.2=16...(25) HG2 LYS 78 + HZ PHE 80 OK 46 77 - 59 - 5826=16, 2.8/5825=10...(14) HB3 ARG 27 + HZ PHE 57 OK 33 96 - 34 - 2.9/4542=8, 4662/2.2=7...(10) HB3 ARG 27 + HZ PHE 80 OK 33 74 - 44 - 2.9/4542=10, ~4541=8...(13) HB2 LEU 30 - HZ PHE 57 OK 17 85 - 20 - 4662/2.2=4, ~4664=3...(6) HB2 LEU 30 - HZ PHE 80 OK 15 63 - 24 - ~4594=8, ~4725=3...(8) HB3 GLU 51 - HZ PHE 57 OK 10 65 - 16 - 4.6/5094=8, 5989/2.2=2...(4) HB3 LYS 31 - HZ PHE 57 lone 9 97 - 9 - 4662/2.2=2 HB3 LYS 31 - HZ PHE 80 lone 7 76 - 10 - ~4723=1, ~4722=1 HB3 LYS 65 - HZ PHE 57 lone 6 71 - 9 - 4662/2.2=2 HB3 LYS 17 - HZ PHE 57 lone 5 97 - 6 - 4662/2.2=1 HB2 LYS 17 - HZ PHE 57 lone 5 97 - 5 - 4662/2.2=1 HB3 LYS 65 - HZ PHE 80 lone 5 51 - 10 - ~4720=2, ~5895=1, ~4724=1 HB3 LYS 17 - HZ PHE 80 lone 5 76 - 6 - HB2 LYS 17 - HZ PHE 80 lone 5 75 - 6 - HB3 GLU 51 - HZ PHE 80 lone 3 47 - 7 - 4.6/5094=3 HB3 LYS 91 - HZ PHE 57 lone 3 76 - 3 - HB3 LYS 91 - HZ PHE 80 lone 1 55 - 3 - Peak 4678 from aronoe.peaks (0.93, 6.93, 127.99 ppm; 3.97 A): 4 out of 6 assignments used, quality = 0.96: QG2 VAL 52 + HZ PHE 57 OK 66 97 - 69 - 4.0/5094=11, 4664/2.2=11...(20) QG1 VAL 52 + HZ PHE 57 OK 62 90 - 69 - 4.0/5094=11, ~4658=10...(21) QG2 VAL 52 + HZ PHE 80 OK 43 75 - 58 - 5105/2.2=16, ~5105=11...(16) QG1 VAL 52 + HZ PHE 80 OK 40 68 - 58 - 5105/2.2=16, ~5105=11...(15) QD2 LEU 23 - HZ PHE 80 OK 37 70 - 54 - ~5874=22, 4725/2.2=11...(11) QD2 LEU 23 - HZ PHE 57 OK 27 92 - 29 - 4664/2.2=6, ~4483=5...(10) Peak 4679 from aronoe.peaks (0.74, 6.93, 127.99 ppm; 3.39 A): 4 out of 14 assignments used, quality = 0.93: QD1 LEU 79 + HZ PHE 80 OK 67 81 - 82 - 5868/2.2=22, 2.1/5872=18...(21) QD1 LEU 79 + HZ PHE 57 OK 63 100 - 63 - 2.1/5872=14, 4666/2.2=12...(17) HG2 LYS 26 + HZ PHE 80 OK 29 79 - 37 - 2.9/4515=9, ~4514=5...(12) QD2 LEU 76 + HZ PHE 57 OK 22 71 - 31 - 4666/2.2=8, 5262/3.8=3...(12) HG2 LYS 26 - HZ PHE 57 OK 17 99 - 17 - 4666/2.2=4, 2.9/4515=3...(5) QD2 LEU 76 - HZ PHE 80 OK 16 51 - 31 - 5787/2.2=10, 5786/3.8=6...(8) QG1 VAL 20 - HZ PHE 57 OK 12 100 - 12 - 4666/2.2=2, ~4666=1, ~5992=1 QD1 LEU 12 - HZ PHE 80 OK 12 80 - 15 - ~4256=3, 2.1/5865=2...(4) QG2 VAL 20 - HZ PHE 57 OK 11 97 - 12 - 4666/2.2=2, ~5992=1, ~4666=1 QD1 LEU 12 - HZ PHE 57 OK 11 100 - 11 - 4666/2.2=2, 2.1/5865=1 QD1 LEU 30 - HZ PHE 57 OK 10 60 - 17 - ~4665=2, ~4664=2...(6) QG1 VAL 20 - HZ PHE 80 poor 10 80 - 12 - ~5898=1, 4415/7.9=1, 5903/3.8=1 QD1 LEU 30 - HZ PHE 80 poor 9 42 - 20 - ~4594=8, 2.1/4744=2...(6) QG2 VAL 20 - HZ PHE 80 poor 8 75 - 11 - 5903/3.8=1 Peak 4680 from aronoe.peaks (1.47, 6.93, 127.99 ppm; 3.46 A): 3 out of 18 assignments used, quality = 0.97: HG3 LYS 78 + HZ PHE 57 OK 73 90 - 81 - 1.8/5826=18, 2.8/5825=11...(25) HG LEU 79 + HZ PHE 80 OK 64 81 - 79 - 2.1/5872=18, ~5868=14...(18) HG LEU 79 + HZ PHE 57 OK 64 100 - 64 - 2.1/5872=15, 5865=10...(14) HG3 LYS 78 - HZ PHE 80 OK 37 68 - 54 - 1.8/5826=12, 2.8/5825=9...(14) HB3 LEU 76 - HZ PHE 80 OK 32 76 - 42 - ~5774=8, ~5787=7...(10) HB3 LEU 76 - HZ PHE 57 OK 29 97 - 30 - 4663/2.2=5, ~5786=3...(10) HD2 LYS 64 - HZ PHE 80 OK 19 66 - 29 - ~4727=4, ~5443=4...(11) HG LEU 12 - HZ PHE 80 OK 13 77 - 17 - ~4256=3, 5865=2...(6) HG LEU 12 - HZ PHE 57 OK 12 98 - 12 - 4663/2.2=1, 5865=1...(6) QB ALA 72 - HZ PHE 57 OK 12 81 - 14 - 5696/3.8=6, 4663/2.2=2 HB2 LYS 56 - HZ PHE 57 poor 8 60 - 13 - ~2718=2, 4670/3.8=2...(5) HG2 LYS 65 - HZ PHE 57 poor 7 65 - 10 - 3.0/5188=1 QB ALA 72 - HZ PHE 80 poor 7 59 - 12 - ~4711=2, 4721/2.2=1...(4) HD2 LYS 64 - HZ PHE 57 lone 6 89 - 6 - 4663/2.2=1 HG2 LYS 65 - HZ PHE 80 poor 5 47 - 11 - 3.0/5188=2, ~5895=2...(4) HB2 LYS 56 - HZ PHE 80 lone 4 42 - 9 - ~4722=1 HB3 ARG 45 - HZ PHE 80 lone 2 63 - 3 - HB3 ARG 45 - HZ PHE 57 lone 2 85 - 2 - Peak 4681 from aronoe.peaks (8.33, 7.33, 132.80 ppm; 3.64 A): 3 out of 6 assignments used, quality = 0.96: H TYR 70 + QD TYR 70 OK 87 99 - 88 - 4.6=51, 845/2.5=25...(17) H ALA 60 + QD TYR 70 OK 58 89 - 66 - 5355/2.5=21, 5339=19...(11) H ALA 72 + QD TYR 70 OK 35 81 - 43 - 337/4.5=9, 3131/2.5=7...(10) H ARG 28 - QD TYR 70 OK 33 73 - 45 - 3.0/4577=8, 3125/2.5=6...(14) H GLU 37 - QD TYR 70 OK 12 98 - 12 - 4.9/4775=2, 4682/2.2=1 H LEU 85 - QD TYR 70 lone 6 85 - 7 - 4682/2.2=2 Peak 4682 from aronoe.peaks (8.31, 6.80, 117.89 ppm; 4.69 A): 5 out of 6 assignments used, quality = 0.95: H TYR 70 + QE TYR 70 OK 70 81 - 87 - 6.5=37, 847/2.2=25...(13) H ALA 60 + QE TYR 70 OK 67 100 - 68 - 5339/2.2=27, 5355/4.4=23...(8) H LEU 85 + QE TYR 70 OK 22 99 - 22 - 3.6/4683=8, 4.3/4249=4...(5) H GLY 16 + QE TYR 70 OK 16 73 - 21 - 4.5/3140=7, 4.5/4684=5...(4) H GLU 37 + QE TYR 70 OK 15 100 - 15 - 4.9/4907=3, 4681/2.2=2...(4) H LYS 64 - QE TYR 70 poor 8 76 - 11 - 5414/2.2=5, 4.0/4686=2 Peak 4683 from aronoe.peaks (4.37, 6.80, 117.89 ppm; 4.62 A): 3 out of 4 assignments used, quality = 0.67: HA TYR 70 + QE TYR 70 OK 47 60 - 79 - 5.7=54, 3124/2.2=19...(7) HA PRO 84 + QE TYR 70 OK 23 100 - 23 - 2.3/4249=5, 3.6/5619=5...(6) HA ILE 35 + QE TYR 70 OK 18 97 - 18 - 3.2/4689=4, 3.0/5610=2...(6) HA ARG 45 - QE TYR 70 lone 3 92 - 3 - Peak 4684 from aronoe.peaks (2.98, 6.80, 117.89 ppm; 4.79 A): 1 out of 8 assignments used, quality = 1.00: HB2 TYR 70 + QE TYR 70 OK 100 100 - 100 - 4.4=100 HB3 HIS 15 - QE TYR 70 OK 45 92 - 49 - ~4579=12, 1.8/3140=11...(8) HE3 LYS 91 - QE TYR 70 OK 19 93 - 20 - 4578/2.2=3, ~4578=3...(9) HE2 LYS 91 - QE TYR 70 OK 19 93 - 20 - 4578/2.2=3, ~4578=3...(9) HE3 LYS 31 - QE TYR 70 OK 17 97 - 17 - 4578/2.2=3, ~4578=2...(9) HE2 LYS 31 - QE TYR 70 OK 17 97 - 17 - 4578/2.2=3, ~4578=2...(9) HD2 ARG 45 - QE TYR 70 lone 4 71 - 6 - HD3 ARG 45 - QE TYR 70 lone 4 71 - 6 - Peak 4685 from aronoe.peaks (1.77, 6.80, 117.89 ppm; 4.23 A): 4 out of 14 assignments used, quality = 0.93: QE MET 11 + QE TYR 70 OK 61 99 - 62 - 4247=26, 4246/2.2=23...(12) HB2 LEU 73 + QE TYR 70 OK 56 78 - 71 - 3.1/5708=18, 3.1/5709=13...(14) HB3 ARG 28 + QE TYR 70 OK 36 98 - 37 - 3.0/3138=6, ~4577=6...(11) HB2 ARG 28 + QE TYR 70 OK 33 97 - 34 - 3.0/3138=6, ~4577=6...(11) HB2 MET 48 - QE TYR 70 OK 25 87 - 29 - 1.8/4908=5, 4.0/4925=5...(7) HB2 ARG 27 - QE TYR 70 OK 24 100 - 24 - 3.5/4539=4, 4.2/3137=3...(9) HB3 GLN 55 - QE TYR 70 OK 21 68 - 31 - 2.9/2607=5, 1.8/2583=4...(11) HB3 MET 48 - QE TYR 70 OK 21 73 - 28 - 1.8/4907=5, 4.0/4925=5...(7) HG3 GLU 37 - QE TYR 70 OK 18 96 - 19 - ~4775=4, 4907=3...(5) QB ALA 74 - QE TYR 70 OK 17 100 - 17 - 5733/6.5=3, 4693/2.2=2...(6) HB2 LYS 31 - QE TYR 70 OK 15 97 - 16 - 4.1/654=3, 3.0/4598=3...(6) HB2 LYS 91 - QE TYR 70 OK 11 89 - 12 - 3.0/5620=2, 5.0/4684=1...(6) HD3 LYS 78 - QE TYR 70 lone 10 99 - 10 - 2.9/5832=1, 2.9/5832=1 HB2 LYS 65 - QE TYR 70 lone 9 96 - 9 - 4.4/5476=4, 1.8/2591=1 Peak 4686 from aronoe.peaks (1.37, 6.80, 117.89 ppm; 4.46 A): 4 out of 11 assignments used, quality = 0.95: QB ALA 67 + QE TYR 70 OK 69 100 - 69 - 2.1/5486=17, ~4691=16...(11) HG2 LYS 68 + QE TYR 70 OK 61 99 - 62 - 5525=12, 1.8/5527=11...(17) QB ALA 69 + QE TYR 70 OK 41 97 - 43 - 3.6/846=11, 5584/5.7=8...(9) HG2 LYS 44 + QE TYR 70 OK 30 100 - 30 - 4797/2.2=6, ~4796=4...(9) HB2 LYS 64 - QE TYR 70 OK 21 96 - 22 - ~5442=4, 4695/2.2=3...(7) HB3 LYS 56 - QE TYR 70 OK 17 100 - 17 - 5224/5.7=3, 4695/2.2=2...(5) HB3 LEU 12 - QE TYR 70 OK 16 100 - 16 - 3.1/4690=2, 4275/4687=2...(5) HG3 LYS 91 - QE TYR 70 OK 13 76 - 16 - 4695/2.2=2, 3.8/4684=2...(8) HG2 LYS 91 - QE TYR 70 OK 13 76 - 16 - 4695/2.2=2, 3.8/4684=2...(8) HD3 LYS 56 - QE TYR 70 poor 10 85 - 11 - 5606/5.7=1, ~4695=1, 4695/2.2=1 QB ALA 89 - QE TYR 70 lone 5 87 - 5 - Peak 4687 from aronoe.peaks (1.11, 6.80, 117.89 ppm; 3.03 A): 2 out of 4 assignments used, quality = 0.71: QG1 VAL 66 + QE TYR 70 OK 63 97 - 65 - 5472=22, 4696/2.2=19...(12) QG2 THR 13 + QE TYR 70 OK 20 100 - 20 - 4696/2.2=7, 5472=6...(6) HG3 LYS 14 - QE TYR 70 lone 7 99 - 7 - 4696/2.2=3 QG2 THR 38 - QE TYR 70 lone 1 65 - 1 - Peak 4688 from aronoe.peaks (1.04, 6.80, 117.89 ppm; 4.10 A): 1 out of 2 assignments used, quality = 0.78: QG2 VAL 66 + QE TYR 70 OK 78 100 - 78 - 4697/2.2=32, 2.1/4687=32...(11) QD2 LEU 34 - QE TYR 70 poor 9 73 - 12 - 4685/2.2=2, ~4689=2...(4) Peak 4689 from aronoe.peaks (0.84, 6.80, 117.89 ppm; 4.04 A): 4 out of 7 assignments used, quality = 0.84: QD2 LEU 73 + QE TYR 70 OK 75 100 - 75 - 5707/2.2=26, 5708=26...(12) QG2 ILE 35 + QE TYR 70 OK 16 92 - 17 - 3.2/4683=5, 4698/2.2=2...(4) HD2 LYS 26 + QE TYR 70 OK 14 97 - 14 - 3.0/4690=3, ~4699=2...(5) QG2 VAL 47 + QE TYR 70 OK 11 100 - 11 - 4698/2.2=2, ~4698=2...(4) QG1 VAL 47 - QE TYR 70 poor 9 89 - 11 - 4698/2.2=3, ~4698=2 QD2 LEU 85 - QE TYR 70 lone 7 100 - 7 - 4.7/4682=2, 4698/2.2=1 QD2 LEU 87 - QE TYR 70 lone 5 100 - 5 - Peak 4690 from aronoe.peaks (0.76, 6.80, 117.89 ppm; 4.10 A): 6 out of 8 assignments used, quality = 0.91: QD1 LEU 73 + QE TYR 70 OK 75 96 - 79 - 2.1/5708=21, 4699/2.2=18...(16) QD1 LEU 30 + QE TYR 70 OK 21 99 - 22 - 4699/2.2=5, 5607/5.7=3...(8) HG2 LYS 26 + QE TYR 70 OK 19 90 - 21 - 4699/2.2=4, 3.0/4689=3...(6) QG1 VAL 20 + QE TYR 70 OK 18 87 - 21 - 2.1/4409=4, 4407=3...(6) QD2 LEU 79 + QE TYR 70 OK 16 81 - 20 - 5873=8, 4699/2.2=3...(5) QD1 LEU 79 + QE TYR 70 OK 11 65 - 17 - 2.1/5873=8, ~4699=2, ~5617=2 QD1 LEU 12 - QE TYR 70 poor 9 87 - 11 - 4699/2.2=2, 3.1/4686=1 QD1 LEU 23 - QE TYR 70 poor 9 73 - 12 - 4699/2.2=2, 4481/5047=1 Peak 4691 from aronoe.peaks (3.80, 7.33, 132.80 ppm; 3.92 A): 3 out of 3 assignments used, quality = 0.91: HA ALA 67 + QD TYR 70 OK 83 100 - 83 - 5485=28, 4190/2.5=25...(16) HD3 PRO 19 + QD TYR 70 OK 32 99 - 33 - 4189/2.5=7, 4191/2.5=7...(8) HD2 PRO 84 + QD TYR 70 OK 23 90 - 25 - 4189/2.5=5, 4191/2.5=5...(8) Peak 4692 from aronoe.peaks (4.06, 7.33, 132.80 ppm; 4.87 A): 3 out of 3 assignments used, quality = 0.97: HA2 GLY 59 + QD TYR 70 OK 87 100 - 87 - 5320/2.5=31, 5331/4.5=27...(10) HA3 GLY 61 + QD TYR 70 OK 60 93 - 64 - 5151=12, 5596/2.5=12...(13) HA3 GLY 54 + QD TYR 70 OK 37 100 - 37 - 5151=8, 5593/2.5=7...(8) Peak 4693 from aronoe.peaks (1.76, 7.33, 132.80 ppm; 3.99 A): 3 out of 14 assignments used, quality = 0.95: HB2 LEU 73 + QD TYR 70 OK 78 97 - 80 - 3.1/5707=21, 3.1/4699=15...(20) QE MET 11 + QD TYR 70 OK 56 100 - 56 - 4246=22, 4247/2.2=18...(11) HB3 ARG 28 + QD TYR 70 OK 50 100 - 50 - 3.0/4577=10, 4205/3.7=6...(19) HB2 ARG 28 - QD TYR 70 OK 35 76 - 47 - 3.0/4577=10, ~3126=5...(18) HB3 GLN 55 - QD TYR 70 OK 27 93 - 29 - 3.0/4577=3, 4.5/3147=3...(12) HB2 ARG 27 - QD TYR 70 OK 26 96 - 28 - 1766/4.5=5, 4.2/4681=3...(11) HB3 MET 48 - QD TYR 70 OK 26 96 - 27 - 4908/2.2=5, ~4907=3...(11) QB ALA 74 - QD TYR 70 OK 20 96 - 21 - 5733/4.6=4, 4205/3.7=3...(8) HG3 GLU 37 - QD TYR 70 OK 12 73 - 16 - 1.8/4775=4, 4907/2.2=2...(6) HB2 LYS 31 - QD TYR 70 OK 11 76 - 15 - ~4598=2, 4685/2.2=1...(5) HB2 LYS 91 - QD TYR 70 poor 10 60 - 16 - 3.0/4695=2, 3.0/4695=2...(7) HB3 LYS 65 - QD TYR 70 lone 5 63 - 8 - 5464/4697=2, 2591/2.2=1 HD3 LYS 78 - QD TYR 70 lone 4 83 - 5 - HB2 LYS 65 - QD TYR 70 lone 3 73 - 5 - ~2591=1 Peak 4694 from aronoe.peaks (1.65, 7.33, 132.80 ppm; 4.37 A): 4 out of 10 assignments used, quality = 0.93: HB3 LEU 73 + QD TYR 70 OK 61 73 - 83 - 3.1/5707=24, 3.1/4699=17...(19) HG LEU 73 + QD TYR 70 OK 52 60 - 86 - 2.1/5707=29, 2.1/4699=20...(18) HG2 ARG 28 + QD TYR 70 OK 40 95 - 42 - 3.8/4577=9, 4564/2.5=6...(13) HG3 ARG 28 + QD TYR 70 OK 39 92 - 42 - 3.8/4577=9, 4564/2.5=6...(13) HD2 LYS 91 - QD TYR 70 OK 21 97 - 21 - 3.0/4578=3, 3.0/4578=3...(8) HD3 LYS 91 - QD TYR 70 OK 21 97 - 21 - 3.0/4578=3, 3.0/4578=3...(8) HB2 LYS 14 - QD TYR 70 OK 15 100 - 15 - 3.0/4696=4, ~5600=2...(6) HB3 LYS 14 - QD TYR 70 OK 15 100 - 15 - 3.0/4696=4, ~5600=2...(6) HD2 LYS 31 - QD TYR 70 OK 12 73 - 16 - 3.0/4578=3, 3.0/4578=2...(5) HD3 LYS 31 - QD TYR 70 OK 11 68 - 16 - 3.0/4578=3, 3.0/4578=2...(5) Peak 4695 from aronoe.peaks (1.36, 7.33, 132.80 ppm; 4.06 A): 4 out of 12 assignments used, quality = 0.96: QB ALA 67 + QD TYR 70 OK 80 99 - 81 - 2.1/4691=22, ~4190=16...(16) HG2 LYS 68 + QD TYR 70 OK 49 100 - 50 - 1.8/4698=9, 5525/2.2=8...(15) HG2 LYS 44 + QD TYR 70 OK 36 99 - 37 - 2.9/4796=5, 4797=5...(11) QB ALA 69 + QD TYR 70 OK 36 78 - 46 - 3.6/847=20, 5584/3.7=8...(9) HB2 LYS 64 - QD TYR 70 OK 27 100 - 27 - 4.0/5414=4, 3.0/5440=3...(11) HG3 LYS 91 - QD TYR 70 OK 20 96 - 20 - 3.8/4578=2, 3.8/4578=2...(8) HG2 LYS 91 - QD TYR 70 OK 20 96 - 20 - 3.8/4578=2, 3.8/4578=2...(8) HB3 LYS 56 - QD TYR 70 OK 19 92 - 21 - 5224/3.7=4, 5604/2.5=2...(7) HB3 LEU 12 - QD TYR 70 OK 13 95 - 14 - 3.1/4699=2, 4686/2.2=2...(5) HD3 LYS 56 - QD TYR 70 poor 9 57 - 16 - ~5603=1, 5642/4.5=1...(5) QB ALA 89 - QD TYR 70 lone 8 99 - 8 - 5599/2.5=1, ~4059=1...(4) QB ALA 86 - QD TYR 70 lone 2 78 - 2 - Peak 4696 from aronoe.peaks (1.11, 7.33, 132.80 ppm; 3.21 A): 2 out of 4 assignments used, quality = 0.80: QG1 VAL 66 + QD TYR 70 OK 73 97 - 75 - 5471=25, 4687/2.2=23...(12) QG2 THR 13 + QD TYR 70 OK 26 100 - 26 - 4687/2.2=7, 5471=7...(7) HG3 LYS 14 - QD TYR 70 lone 10 99 - 10 - 4687/2.2=3, 5600/2.5=1 QG2 THR 38 - QD TYR 70 lone 1 65 - 2 - Peak 4697 from aronoe.peaks (1.03, 7.33, 132.80 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.86: QG2 VAL 66 + QD TYR 70 OK 86 97 - 90 - 4688/2.2=34, 2.1/4696=31...(16) Peak 4698 from aronoe.peaks (0.82, 7.33, 132.80 ppm; 3.75 A): 5 out of 8 assignments used, quality = 0.83: QD2 LEU 73 + QD TYR 70 OK 65 87 - 75 - 5707=29, 5708/2.2=15...(16) HG3 LYS 68 + QD TYR 70 OK 31 85 - 36 - 5614/2.2=6, 1.8/4695=5...(12) QG1 VAL 47 + QD TYR 70 OK 13 100 - 13 - 5614/2.2=2, 5644/4.5=2...(6) QG2 ILE 35 + QD TYR 70 OK 12 100 - 12 - 5614/2.2=3, ~4683=2, ~5610=1 QG2 VAL 47 + QD TYR 70 OK 10 85 - 12 - 4689/2.2=2, 5357/5339=2...(5) HD2 LYS 26 - QD TYR 70 poor 7 63 - 11 - 4689/2.2=2, ~4690=2, 3.0/4798=1 QD2 LEU 85 - QD TYR 70 lone 6 92 - 6 - 4689/2.2=1 QD2 LEU 87 - QD TYR 70 lone 4 78 - 5 - Peak 4699 from aronoe.peaks (0.77, 7.33, 132.80 ppm; 3.86 A): 5 out of 7 assignments used, quality = 0.91: QD1 LEU 73 + QD TYR 70 OK 81 99 - 82 - 2.1/5707=25, 5706=16...(19) QD1 LEU 30 + QD TYR 70 OK 24 100 - 24 - 5607/3.7=4, 1904/4.5=4...(8) HG2 LYS 26 + QD TYR 70 OK 17 81 - 21 - 4690/2.2=3, 5607/3.7=3...(8) QD2 LEU 79 + QD TYR 70 OK 15 90 - 17 - 5873/2.2=6, 5587/4.6=2...(5) QD1 LEU 23 + QD TYR 70 OK 11 85 - 13 - 5615/2.2=2, 3201/5707=2...(7) QG1 VAL 20 - QD TYR 70 poor 9 76 - 12 - 4690/2.2=3, ~4409=3...(4) QD1 LEU 12 - QD TYR 70 poor 8 76 - 11 - 4690/2.2=2, 3.1/4695=1 Peak 4701 from aronoe.peaks (3.94, 7.20, 132.98 ppm; 3.21 A): 3 out of 6 assignments used, quality = 0.86: HA LEU 76 + QD PHE 80 OK 72 100 - 72 - 4240=23, 6111/2.5=13...(16) HA LEU 23 + QD PHE 80 OK 38 94 - 40 - 3.9/4483=9, 4711/2.2=7...(11) HA ALA 72 + QD PHE 80 OK 19 89 - 22 - 4711/2.2=3, 5892/2.5=3...(7) HA ALA 71 - QD PHE 80 poor 10 78 - 12 - 5883/2.5=2, 5892/2.5=2 HA GLU 25 - QD PHE 80 lone 5 63 - 9 - 4505/2.5=1, ~86=1 HA3 GLY 16 - QD PHE 80 lone 2 63 - 3 - Peak 4702 from aronoe.peaks (2.52, 7.20, 132.98 ppm; 4.47 A): 2 out of 4 assignments used, quality = 0.94: HE3 LYS 26 + QD PHE 80 OK 75 100 - 75 - 4533=16, 4719/2.2=14...(17) HE2 LYS 26 + QD PHE 80 OK 75 100 - 75 - 4533=16, 4719/2.2=14...(17) HG2 MET 48 - QD PHE 80 OK 29 97 - 30 - 4719/2.2=7, ~4923=5...(9) HB2 TYR 32 - QD PHE 80 OK 12 99 - 12 - 4719/2.2=3, 5889/2.5=2...(4) Peak 4703 from aronoe.peaks (1.94, 7.20, 132.98 ppm; 4.64 A): 4 out of 15 assignments used, quality = 0.99: HB2 LEU 76 + QD PHE 80 OK 95 100 - 95 - 2.9/4701=22, 3.1/5786=16...(27) HD2 LYS 78 + QD PHE 80 OK 53 78 - 67 - 1.8/3347=13, 2.9/3327=11...(14) HG3 PRO 81 + QD PHE 80 OK 48 76 - 64 - 2.3/5910=14, 2.3/5907=12...(11) HB VAL 47 + QD PHE 80 OK 47 96 - 49 - 3.0/4584=12, 2395/3.7=9...(9) HB3 PRO 81 - QD PHE 80 OK 39 65 - 60 - 3.0/5910=13, 3.0/5907=11...(13) HB2 GLU 77 - QD PHE 80 OK 39 90 - 43 - 4.0/1009=10, 3.0/4082=8...(7) QE MET 48 - QD PHE 80 OK 33 96 - 35 - 4923/2.2=9, 3.3/4702=5...(11) HB VAL 20 - QD PHE 80 OK 28 100 - 28 - 2.1/4709=4, ~5886=3...(8) HB3 GLU 22 - QD PHE 80 OK 16 100 - 16 - 4083=2, 3252/5786=1, 4.0/4715=1 HB2 GLU 33 - QD PHE 80 OK 11 100 - 11 - HG3 PRO 84 - QD PHE 80 lone 9 99 - 9 - 5913/3.7=2 HG3 GLU 49 - QD PHE 80 lone 8 90 - 9 - HB2 GLN 58 - QD PHE 80 lone 8 87 - 9 - 4.6/4715=2, 1492/5910=1 HG2 PRO 19 - QD PHE 80 lone 8 89 - 8 - 5878/4.4=2, 1477/5859=1 HB2 GLU 51 - QD PHE 80 lone 6 71 - 9 - 4.6/5093=4 Peak 4704 from aronoe.peaks (1.78, 7.20, 132.98 ppm; 4.48 A): 4 out of 15 assignments used, quality = 0.97: HD3 LYS 78 + QD PHE 80 OK 70 100 - 70 - 3347=13, 5829/3.8=12...(16) HG LEU 76 + QD PHE 80 OK 59 68 - 87 - 2.1/5786=18, 3.6/4701=18...(18) HB2 ARG 27 + QD PHE 80 OK 56 99 - 57 - ~4541=14, ~4722=7...(17) QB ALA 74 + QD PHE 80 OK 50 99 - 50 - 2.1/4233=8, 4.4/4235=8...(17) HB2 LYS 65 - QD PHE 80 OK 44 99 - 44 - 3.8/4713=6, 1.8/5189=6...(11) HB2 MET 48 - QD PHE 80 OK 22 96 - 24 - 3.0/4702=5, ~4719=4...(6) HB2 LYS 31 - QD PHE 80 OK 14 100 - 14 - ~4723=2, 4720/2.2=2, ~4722=2 HB2 ARG 28 - QD PHE 80 OK 13 100 - 13 - ~1820=2, 1828/2.5=1, 4.0/4585=1 HB3 ARG 28 - QD PHE 80 OK 11 92 - 12 - ~1820=2, 4.0/4585=1, 1836/2.5=1 HG3 GLU 37 - QD PHE 80 lone 10 99 - 9 - HB2 LEU 73 - QD PHE 80 poor 9 63 - 15 - 3.0/6050=2, ~5893=1...(5) QE MET 11 - QD PHE 80 lone 8 94 - 9 - 4243/5870=1 HG2 GLU 51 - QD PHE 80 lone 6 68 - 9 - 6134/5184=1 HG3 GLU 51 - QD PHE 80 lone 6 65 - 9 - 6134/5184=1 HB2 LYS 91 - QD PHE 80 lone 5 97 - 5 - Peak 4705 from aronoe.peaks (1.46, 7.20, 132.98 ppm; 4.20 A): 4 out of 8 assignments used, quality = 1.00: HB3 LEU 76 + QD PHE 80 OK 92 100 - 92 - 2.9/4701=20, 3.1/5786=14...(32) HG LEU 79 + QD PHE 80 OK 89 93 - 95 - 3.0/4710=29, ~5868=21...(26) HG3 LYS 78 + QD PHE 80 OK 69 100 - 69 - 3327=13, 1.8/3317=11...(20) HD2 LYS 64 + QD PHE 80 OK 49 99 - 50 - ~4727=7, 2.9/4709=6...(16) HG2 LYS 65 - QD PHE 80 OK 34 90 - 38 - 1.8/4706=6, 3.0/5189=4...(11) HB3 LYS 64 - QD PHE 80 OK 34 81 - 42 - ~4727=7, 3.0/4709=6...(11) HG LEU 12 - QD PHE 80 OK 32 100 - 32 - ~4256=6, 383/4.4=3...(11) HB3 ARG 45 - QD PHE 80 lone 7 99 - 7 - 5.0/3447=1 Peak 4706 from aronoe.peaks (1.26, 7.20, 132.98 ppm; 3.86 A): 2 out of 7 assignments used, quality = 0.98: HB2 LEU 79 + QD PHE 80 OK 93 99 - 94 - 1.8/4710=30, ~4728=21...(26) HB3 LEU 23 + QD PHE 80 OK 67 100 - 68 - 3.1/4483=15, ~5874=15...(21) HG3 LYS 65 - QD PHE 80 OK 32 99 - 32 - 3.0/5189=4, 5.0/4713=3...(11) HG3 LYS 17 - QD PHE 80 OK 12 94 - 12 - ~4724=2, ~4690=1...(4) HG3 LYS 56 - QD PHE 80 OK 11 78 - 15 - 4.7/4715=4, ~4722=1 HG2 LYS 17 - QD PHE 80 lone 8 85 - 10 - 4724/2.2=2 HG13 ILE 35 - QD PHE 80 lone 3 63 - 5 - Peak 4707 from aronoe.peaks (0.90, 7.20, 132.98 ppm; 3.69 A): 4 out of 8 assignments used, quality = 0.94: QD1 LEU 76 + QD PHE 80 OK 66 90 - 73 - 2.1/5786=15, 4.0/4701=12...(19) QD2 LEU 23 + QD PHE 80 OK 53 90 - 59 - ~5874=19, 2.1/4483=18...(14) HD3 LYS 26 + QD PHE 80 OK 49 100 - 49 - 3.0/4702=8, 3.0/4702=8...(17) QB ALA 75 + QD PHE 80 OK 30 63 - 48 - 2.1/4235=10, 3.6/4714=9...(14) HB3 LEU 30 - QD PHE 80 OK 24 100 - 24 - ~4594=8, 4725/2.2=2...(7) QD2 LEU 30 - QD PHE 80 OK 14 63 - 23 - 4594/2.2=9, ~5897=3...(6) QD1 LEU 87 - QD PHE 80 lone 8 100 - 8 - 4.7/4715=2 QD1 LEU 85 - QD PHE 80 lone 6 99 - 6 - Peak 4708 from aronoe.peaks (0.81, 7.20, 132.98 ppm; 3.62 A): 4 out of 7 assignments used, quality = 0.88: QD2 LEU 79 + QD PHE 80 OK 62 71 - 88 - 3.1/4710=20, 2.1/5866=16...(23) QD1 LEU 23 + QD PHE 80 OK 51 78 - 65 - 5874/2.2=25, 4483=19...(15) QG1 VAL 47 + QD PHE 80 OK 27 96 - 28 - 3.2/4584=8, ~3432=4...(9) HG3 LYS 68 + QD PHE 80 OK 12 99 - 12 - ~4723=2, 385/4.4=1 QD2 LEU 73 - QD PHE 80 lone 4 57 - 8 - 3.9/6050=1 QG2 ILE 35 - QD PHE 80 lone 4 93 - 4 - QD2 LEU 85 - QD PHE 80 lone 2 65 - 3 - Peak 4709 from aronoe.peaks (0.71, 7.20, 132.98 ppm; 3.22 A): 5 out of 5 assignments used, quality = 0.93: QD2 LEU 76 + QD PHE 80 OK 67 100 - 67 - 5786=15, 5787/2.2=13...(14) QD1 LEU 79 + QD PHE 80 OK 56 68 - 82 - 3.1/4710=16, 5866=14...(22) HG3 LYS 64 + QD PHE 80 OK 29 100 - 29 - 4727/2.2=6, ~5441=3...(11) QG1 VAL 50 + QD PHE 80 OK 17 93 - 18 - 4727/2.2=3, 5016/2.5=3...(4) QG2 VAL 20 + QD PHE 80 OK 16 85 - 19 - 5886/2.5=3, 5887/2.5=2...(6) Peak 4710 from aronoe.peaks (0.35, 7.20, 132.98 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.79: HB3 LEU 79 + QD PHE 80 OK 79 83 - 95 - 4728/2.2=29, 382/4.4=21...(24) Peak 4711 from aronoe.peaks (3.94, 7.03, 130.38 ppm; 3.96 A): 4 out of 6 assignments used, quality = 0.94: HA LEU 76 + QE PHE 80 OK 80 100 - 81 - 5774=25, 4701/2.2=21...(21) HA LEU 23 + QE PHE 80 OK 55 94 - 59 - 3.9/5874=25, 4701/2.2=11...(13) HA ALA 72 + QE PHE 80 OK 24 88 - 27 - 4701/2.2=6, 2.1/4721=3...(7) HA ALA 71 + QE PHE 80 OK 12 78 - 15 - 4701/2.2=3, 5883/4.4=2...(4) HA GLU 25 - QE PHE 80 lone 5 63 - 8 - 4505/4.4=2, 4701/2.2=2 HA3 GLY 16 - QE PHE 80 lone 4 63 - 6 - 4312/4256=1 Peak 4712 from aronoe.peaks (0.35, 6.93, 128.25 ppm; 5.22 A): 2 out of 2 assignments used, quality = 0.91: HB3 LEU 79 + HZ PHE 80 OK 81 83 - 97 - 4710/3.8=36, 4728/2.2=35...(17) HB3 LEU 79 + HZ PHE 57 OK 55 61 - 89 - 3.1/5872=21, 3.1/5867=17...(18) Peak 4713 from aronoe.peaks (7.85, 7.20, 132.98 ppm; 4.09 A): 4 out of 4 assignments used, quality = 0.94: H PHE 80 + QD PHE 80 OK 86 89 - 97 - 4.4=79, 3.0/4584=25...(19) H LYS 65 + QD PHE 80 OK 34 100 - 34 - 3431/2.5=4, 3425/2.5=4...(11) HD21 ASN 24 + QD PHE 80 OK 24 73 - 33 - 3431/2.5=7, 3425/2.5=6...(9) H LEU 12 + QD PHE 80 OK 22 97 - 23 - 3425/2.5=3, 3431/2.5=3...(8) Peak 4714 from aronoe.peaks (8.53, 7.20, 132.98 ppm; 4.86 A): 2 out of 3 assignments used, quality = 0.94: H LEU 76 + QD PHE 80 OK 89 98 - 91 - 3.0/4701=23, 1092=20...(25) H ASP 82 + QD PHE 80 OK 44 99 - 45 - 5924/3.7=19, 392/2.5=9...(14) H GLY 61 - QD PHE 80 OK 26 100 - 26 - 5376/3.7=11, 5376/4584=3...(5) Peak 4715 from aronoe.peaks (8.21, 7.20, 132.98 ppm; 4.96 A): 2 out of 5 assignments used, quality = 0.94: H LEU 79 + QD PHE 80 OK 88 93 - 94 - 4.0/4710=31, 379/4.4=23...(28) H LYS 56 + QD PHE 80 OK 49 100 - 49 - 4.6/5184=7, 3.6/5199=7...(16) H LEU 87 - QD PHE 80 OK 22 90 - 24 - 379/4.4=4, 3391/4710=2...(9) HE21 GLN 58 - QD PHE 80 OK 18 99 - 18 - 379/4.4=3, 5912/5910=1...(4) H GLU 22 - QD PHE 80 poor 7 73 - 10 - 4.0/4083=2 Peak 4716 from aronoe.peaks (5.16, 7.03, 130.38 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.50: HA PHE 46 + QE PHE 80 OK 50 100 - 50 - 2368=16, 3.0/2378=13...(7) Peak 4717 from aronoe.peaks (3.17, 7.03, 130.38 ppm; 4.18 A): 4 out of 5 assignments used, quality = 0.99: HB2 PHE 80 + QE PHE 80 OK 90 94 - 95 - 4.4=83, 1.8/4718=19...(16) HB2 PHE 57 + QE PHE 80 OK 54 100 - 54 - ~4570=8, 4.4/4590=8...(15) HD2 ARG 27 + QE PHE 80 OK 52 85 - 62 - 3.0/4541=16, ~4538=9...(21) HD3 PRO 81 + QE PHE 80 OK 49 98 - 50 - 3.8/3423=13, 4.8/901=11...(10) HD2 ARG 28 - QE PHE 80 lone 8 100 - 8 - 4585/2.2=1 Peak 4718 from aronoe.peaks (2.89, 7.03, 130.38 ppm; 4.20 A): 6 out of 8 assignments used, quality = 0.92: HB3 PHE 80 + QE PHE 80 OK 83 87 - 96 - 4.4=84, 3.0/3423=15...(18) HB2 ASN 63 + QE PHE 80 OK 19 78 - 24 - 3.0/5406=9, 4.0/5403=7...(6) HE3 LYS 65 + QE PHE 80 OK 14 99 - 14 - 3.8/4724=2, 4586/2.2=2...(5) HE2 LYS 65 + QE PHE 80 OK 14 96 - 14 - 3.8/4724=2, ~4586=2...(5) HB3 ASN 63 + QE PHE 80 OK 13 57 - 23 - 3.0/5406=9, 4.0/5403=7...(4) HB2 ASP 53 + QE PHE 80 OK 12 100 - 12 - 5845/5868=3, 5125/5105=2...(5) HE3 LYS 14 - QE PHE 80 lone 7 87 - 8 - 3446/2.2=1, ~4586=1, ~3446=1 HE2 LYS 14 - QE PHE 80 lone 6 80 - 8 - 3446/2.2=1, ~4586=1, ~3446=1 Peak 4719 from aronoe.peaks (2.51, 7.03, 130.38 ppm; 4.35 A): 4 out of 4 assignments used, quality = 0.92: HE2 LYS 26 + QE PHE 80 OK 64 100 - 64 - 4702/2.2=13, 4.9/4514=10...(14) HE3 LYS 26 + QE PHE 80 OK 64 100 - 64 - 4702/2.2=13, 4.9/4514=10...(14) HG2 MET 48 + QE PHE 80 OK 30 90 - 34 - 3.3/4923=7, 4702/2.2=5...(12) HB2 TYR 32 + QE PHE 80 OK 14 100 - 14 - 4702/2.2=2, 4616/5874=2...(5) Peak 4720 from aronoe.peaks (1.79, 7.03, 130.38 ppm; 4.44 A): 3 out of 17 assignments used, quality = 0.96: HG LEU 76 + QE PHE 80 OK 72 92 - 78 - 2.1/5787=25, 3.6/5774=19...(21) HD3 LYS 78 + QE PHE 80 OK 71 98 - 72 - 5829/2.2=16, 3347/2.2=11...(23) HB2 ARG 27 + QE PHE 80 OK 55 88 - 62 - 2.9/4541=18, ~4542=10...(18) HB2 LYS 65 - QE PHE 80 OK 33 100 - 33 - 4704/2.2=4, ~5189=4...(14) QB ALA 74 - QE PHE 80 OK 27 88 - 31 - 5730/2.2=6, ~4233=5...(9) HB2 MET 48 - QE PHE 80 OK 26 100 - 26 - 4.0/4923=7, 3.0/4719=6...(5) HB2 LYS 31 - QE PHE 80 OK 19 99 - 19 - 3.0/4723=3, 3.0/4722=3...(6) HG3 GLU 37 - QE PHE 80 OK 11 100 - 11 - 1.8/4721=1, 3.0/5474=1 HB2 ARG 28 - QE PHE 80 lone 10 99 - 10 - 4704/2.2=1 HB2 LYS 44 - QE PHE 80 poor 9 78 - 11 - 3.7/4723=2, 3.7/4722=2 HB2 GLU 37 - QE PHE 80 lone 7 76 - 9 - 1.8/5474=2, 4818/4716=1 QE MET 11 - QE PHE 80 lone 6 73 - 8 - 4243/5874=1, 4245/5857=1 HB3 ARG 28 - QE PHE 80 lone 6 68 - 9 - HG2 GLU 51 - QE PHE 80 lone 5 92 - 6 - HG3 GLU 51 - QE PHE 80 lone 5 90 - 6 - HB3 GLU 33 - QE PHE 80 lone 4 78 - 5 - HB2 LYS 91 - QE PHE 80 lone 4 100 - 4 - Peak 4721 from aronoe.peaks (1.50, 7.03, 130.38 ppm; 3.85 A): 4 out of 13 assignments used, quality = 0.93: HG LEU 79 + QE PHE 80 OK 77 83 - 93 - 3.0/4728=27, 2.1/5868=26...(26) HB3 LYS 26 + QE PHE 80 OK 41 76 - 54 - 1.8/4723=15, ~4515=11...(11) HG3 ARG 27 + QE PHE 80 OK 38 76 - 50 - 1.8/4541=14, ~4542=10...(17) HD3 LYS 64 + QE PHE 80 OK 24 60 - 40 - 2.9/4727=10, 2.9/5441=6...(14) QB ALA 72 - QE PHE 80 OK 23 100 - 23 - 2.1/4711=4, ~4701=3...(7) HB2 LYS 56 - QE PHE 80 OK 16 99 - 16 - 1.8/4722=2, 3.4/4722=2 HG LEU 34 - QE PHE 80 OK 14 83 - 17 - 2.1/4690=6, 2.1/4686=4 QB ALA 71 - QE PHE 80 OK 10 71 - 15 - 2.1/4711=2, ~4701=2...(5) HG2 GLU 37 - QE PHE 80 lone 8 99 - 8 - HD2 LYS 17 - QE PHE 80 lone 8 93 - 8 - 3.0/4724=2 HD3 LYS 17 - QE PHE 80 lone 8 93 - 8 - 3.0/4724=2 HB2 ARG 45 - QE PHE 80 lone 5 93 - 6 - 2.9/4723=1 HB2 LEU 85 - QE PHE 80 lone 3 87 - 4 - Peak 4722 from aronoe.peaks (1.40, 7.03, 130.38 ppm; 4.34 A): 7 out of 10 assignments used, quality = 0.81: HG2 ARG 27 + QE PHE 80 OK 53 83 - 64 - 4541=16, 4542/2.2=14...(20) HB3 LEU 12 + QE PHE 80 OK 19 78 - 24 - 3.1/4256=6, 6177/5868=2...(9) HD3 LYS 56 + QE PHE 80 OK 15 100 - 15 - 3.0/4723=2, 3.4/4721=2...(6) HG2 LYS 31 + QE PHE 80 OK 13 97 - 13 - 1.8/4723=4, ~4738=2, 3.0/4720=2 HB3 LYS 56 + QE PHE 80 OK 13 83 - 15 - 1.8/4721=3, 2.9/4723=2...(5) QB ALA 67 + QE PHE 80 OK 12 65 - 19 - 5488=6, 5503/5.6=3...(4) HB3 LEU 34 + QE PHE 80 OK 12 73 - 16 - 3.1/4690=6, 3.1/4686=4 HD2 LYS 44 - QE PHE 80 poor 9 76 - 12 - 1.8/4723=3, ~4738=1 HG2 LYS 44 - QE PHE 80 poor 7 63 - 12 - 3.0/4723=3 QB ALA 69 - QE PHE 80 lone 6 94 - 6 - 5582/5868=1 Peak 4723 from aronoe.peaks (1.30, 7.03, 130.38 ppm; 3.91 A): 6 out of 8 assignments used, quality = 0.78: HB2 LYS 26 + QE PHE 80 OK 55 100 - 55 - 4515/2.2=15, 4514=13...(12) HB3 LYS 68 + QE PHE 80 OK 18 95 - 19 - 4738/2.2=2, 3.5/4724=2...(7) HB VAL 50 + QE PHE 80 OK 15 83 - 18 - 2.1/4727=6, 5006/5874=3...(4) QB ALA 60 + QE PHE 80 OK 12 100 - 12 - 5348=4, 5350/5.6=3...(4) HG3 LYS 31 + QE PHE 80 OK 12 100 - 12 - 1.8/4722=3, 4738/2.2=2...(4) HD3 LYS 44 + QE PHE 80 OK 11 93 - 11 - 1.8/4722=2, 4738/2.2=1 HG3 LYS 56 - QE PHE 80 poor 9 71 - 12 - 3.0/4722=3, 2.9/4722=2...(4) HG3 ARG 45 - QE PHE 80 lone 5 94 - 6 - Peak 4724 from aronoe.peaks (1.24, 7.03, 130.38 ppm; 3.57 A): 2 out of 9 assignments used, quality = 0.94: HB2 LEU 79 + QE PHE 80 OK 88 96 - 91 - 1.8/4728=29, 3.1/5868=18...(30) HB3 LEU 23 + QE PHE 80 OK 52 85 - 62 - 3.1/5874=25, 3.1/4725=8...(18) QD1 LEU 34 - QE PHE 80 OK 18 73 - 25 - 4690=6, 4691/4716=4...(7) HG3 LYS 65 - QE PHE 80 OK 18 76 - 23 - 4706/2.2=3, 3.0/4720=2...(11) HD3 LYS 68 - QE PHE 80 OK 14 93 - 15 - 3.5/4723=3, 3393/4728=1...(5) HG2 LYS 17 - QE PHE 80 OK 14 100 - 13 - 4690=2, ~4706=1 HD2 LYS 68 - QE PHE 80 OK 14 92 - 15 - 3.5/4723=3, ~4708=1...(4) HG13 ILE 35 - QE PHE 80 lone 4 96 - 5 - QG2 THR 83 - QE PHE 80 lone 1 63 - 1 - Peak 4725 from aronoe.peaks (0.92, 7.03, 130.38 ppm; 3.43 A): 5 out of 6 assignments used, quality = 0.93: QD2 LEU 23 + QE PHE 80 OK 57 99 - 58 - 2.1/5874=30, ~4483=9...(13) QG2 VAL 52 + QE PHE 80 OK 45 87 - 52 - 5105=15, 2.1/5105=14...(18) QG1 VAL 52 + QE PHE 80 OK 39 76 - 52 - 5105=15, 2.1/5105=14...(17) HD3 LYS 26 + QE PHE 80 OK 34 76 - 45 - 3.6/4723=8, 3.0/4719=7...(14) HB3 LEU 30 + QE PHE 80 OK 23 76 - 30 - 3.1/4594=10, 3.1/4726=3...(9) QD1 LEU 87 - QE PHE 80 lone 3 63 - 5 - 1618/5874=1 Peak 4726 from aronoe.peaks (0.77, 7.03, 130.38 ppm; 3.18 A): 5 out of 7 assignments used, quality = 0.94: QD2 LEU 79 + QE PHE 80 OK 75 90 - 83 - 2.1/5868=18, 3.1/4728=17...(28) QD1 LEU 23 + QE PHE 80 OK 51 85 - 60 - 5874=31, 4483/2.2=11...(15) HG2 LYS 26 + QE PHE 80 OK 32 80 - 40 - 2.9/4723=8, ~4515=6...(12) QD1 LEU 30 + QE PHE 80 OK 23 100 - 23 - 2.1/4594=9, 3.1/4725=2...(5) QD1 LEU 12 + QE PHE 80 OK 11 76 - 14 - 2.1/4256=3, 3.1/4722=2...(4) QG1 VAL 20 - QE PHE 80 poor 9 76 - 12 - 2.1/5898=1, ~4709=1...(4) QD1 LEU 73 - QE PHE 80 lone 9 99 - 9 - Peak 4727 from aronoe.peaks (0.69, 7.03, 130.38 ppm; 3.88 A): 3 out of 3 assignments used, quality = 0.81: QD2 LEU 76 + QE PHE 80 OK 57 78 - 73 - 5787=20, 4.0/5774=13...(20) HG3 LYS 64 + QE PHE 80 OK 43 95 - 45 - 5443=9, 1.8/5441=6...(16) QG1 VAL 50 + QE PHE 80 OK 21 100 - 21 - 2.1/4723=4, 4709/2.2=3...(5) Peak 4728 from aronoe.peaks (0.37, 7.03, 130.38 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.95: HB3 LEU 79 + QE PHE 80 OK 95 100 - 95 - 5862=26, 3.1/5868=24...(30) Peak 4729 from aronoe.peaks (0.75, 6.93, 128.25 ppm; 3.50 A): 3 out of 14 assignments used, quality = 0.93: QD1 LEU 79 + HZ PHE 80 OK 78 92 - 85 - 5868/2.2=22, 2.1/5872=19...(21) QD1 LEU 79 + HZ PHE 57 OK 46 70 - 65 - 2.1/5872=15, 5867=12...(17) HG2 LYS 26 + HZ PHE 80 OK 40 100 - 40 - 2.9/4515=10, ~4514=6...(12) QD1 LEU 30 - HZ PHE 80 OK 23 87 - 26 - ~4594=9, 4726/2.2=3...(6) QD1 LEU 12 - HZ PHE 80 OK 16 99 - 16 - ~4256=4, 2.1/5865=2...(5) HG2 LYS 26 - HZ PHE 57 OK 15 81 - 18 - 2.9/4515=4, 5992/2.2=3...(5) QD1 LEU 30 - HZ PHE 57 OK 14 65 - 21 - ~4665=2, ~4664=2...(8) QG1 VAL 20 - HZ PHE 80 OK 13 99 - 13 - ~5898=1, 4415/7.9=1...(5) QG1 VAL 20 - HZ PHE 57 poor 10 80 - 12 - 5992/2.2=2, ~4666=1, ~5992=1 QD1 LEU 12 - HZ PHE 57 poor 9 80 - 11 - 5992/2.2=2, 2.1/5865=1 QG2 VAL 20 - HZ PHE 80 lone 8 78 - 10 - 5903/3.8=1 QG2 VAL 20 - HZ PHE 57 poor 6 57 - 10 - 4666/2.2=2, ~5992=1, ~4666=1 QD1 LEU 73 - HZ PHE 80 lone 5 73 - 7 - 4726/2.2=1 QD1 LEU 73 - HZ PHE 57 lone 5 53 - 9 - ~4665=1 Peak 4730 from aronoe.peaks (0.93, 6.93, 128.25 ppm; 3.88 A): 5 out of 10 assignments used, quality = 0.97: QG2 VAL 52 + HZ PHE 80 OK 53 95 - 56 - 5105/2.2=15, ~5105=10...(17) QD2 LEU 23 + HZ PHE 80 OK 50 95 - 53 - ~5874=21, 4725/2.2=11...(12) QG1 VAL 52 + HZ PHE 80 OK 49 87 - 57 - 5105/2.2=15, ~5105=10...(16) QG2 VAL 52 + HZ PHE 57 OK 49 73 - 67 - 4664/2.2=11, 4.0/5094=10...(20) QG1 VAL 52 + HZ PHE 57 OK 44 65 - 67 - 4.0/5094=10, ~4658=9...(20) HD3 LYS 26 - HZ PHE 80 OK 24 63 - 39 - 3.6/4515=12, 4725/2.2=7...(9) QD2 LEU 23 - HZ PHE 57 OK 21 73 - 28 - 4664/2.2=6, ~4483=5...(10) HB3 LEU 30 - HZ PHE 80 OK 18 63 - 28 - ~4594=9, 4725/2.2=4...(7) HD3 LYS 26 - HZ PHE 57 OK 11 45 - 25 - 4664/2.2=5, 3.6/4515=4...(8) HB3 LEU 30 - HZ PHE 57 OK 11 45 - 25 - 4664/2.2=5, ~4662=3...(9) Peak 4731 from aronoe.peaks (1.25, 6.93, 128.25 ppm; 4.57 A): 3 out of 18 assignments used, quality = 0.99: HB2 LEU 79 + HZ PHE 80 OK 95 100 - 95 - ~4728=30, 5857/2.2=27...(18) HB2 LEU 79 + HZ PHE 57 OK 68 82 - 83 - 3.1/5872=18, 3.1/5867=14...(19) HB3 LEU 23 + HZ PHE 80 OK 66 99 - 67 - ~5874=22, 4724/2.2=10...(17) HB3 LEU 23 - HZ PHE 57 OK 26 79 - 34 - ~4483=5, ~4664=5...(15) HG3 LYS 65 - HZ PHE 80 OK 21 96 - 22 - 4706/3.8=4, 5895/2.2=4...(6) HG3 LYS 65 - HZ PHE 57 OK 15 75 - 20 - 3.0/5188=3, ~5189=2...(7) HG2 LYS 17 - HZ PHE 80 OK 13 95 - 14 - 4724/2.2=3, 1.8/4738=2...(4) HG3 LYS 17 - HZ PHE 80 OK 13 85 - 15 - ~4724=2, ~4690=2...(5) HD3 LYS 68 - HZ PHE 80 OK 13 71 - 18 - ~4723=3, 4724/2.2=3...(8) HD2 LYS 68 - HZ PHE 80 OK 12 68 - 18 - ~4723=3, 4724/2.2=3...(8) HG3 LYS 56 - HZ PHE 80 poor 9 63 - 15 - ~4722=2, 4706/3.8=2...(6) HG2 LYS 17 - HZ PHE 57 lone 6 73 - 9 - HG3 LYS 56 - HZ PHE 57 poor 6 45 - 14 - 2650/7.2=2, 3.0/4744=2...(6) HG3 LYS 17 - HZ PHE 57 lone 5 63 - 8 - HG13 ILE 35 - HZ PHE 80 lone 4 78 - 5 - HG13 ILE 35 - HZ PHE 57 lone 4 57 - 6 - HD3 LYS 68 - HZ PHE 57 lone 3 51 - 7 - 3414/5872=1 HD2 LYS 68 - HZ PHE 57 lone 3 49 - 6 - Peak 4732 from aronoe.peaks (1.47, 6.93, 128.25 ppm; 3.89 A): 5 out of 18 assignments used, quality = 1.00: HG LEU 79 + HZ PHE 80 OK 88 100 - 88 - 2.1/5872=22, 5865=19...(19) HG3 LYS 78 + HZ PHE 57 OK 61 69 - 89 - 1.8/5826=22, 2.8/5825=15...(26) HG LEU 79 + HZ PHE 57 OK 61 82 - 74 - 2.1/5872=18, 5865=15...(16) HG3 LYS 78 + HZ PHE 80 OK 58 90 - 65 - 1.8/5826=15, 2.8/5825=11...(15) HB3 LEU 76 + HZ PHE 80 OK 50 97 - 52 - ~5774=10, ~5787=9...(13) HD2 LYS 64 - HZ PHE 80 OK 33 89 - 37 - ~4727=6, ~5443=5...(11) HB3 LEU 76 - HZ PHE 57 OK 28 77 - 37 - 4663/2.2=6, ~5786=4...(12) HG LEU 12 - HZ PHE 80 OK 22 98 - 22 - ~4256=5, 5865=3...(9) HG LEU 12 - HZ PHE 57 OK 12 78 - 16 - 5865=2, 4663/2.2=2...(7) QB ALA 72 - HZ PHE 80 OK 12 81 - 15 - ~4711=3, ~5893=2...(4) QB ALA 72 - HZ PHE 57 OK 11 59 - 18 - 5696/3.8=8, 4663/2.2=2...(4) HG2 LYS 65 - HZ PHE 80 OK 10 65 - 16 - 3.0/5188=3, ~5895=2...(6) HB2 LYS 56 - HZ PHE 57 poor 8 43 - 18 - ~2718=3, 4670/3.8=3...(7) HB2 LYS 56 - HZ PHE 80 poor 7 60 - 12 - ~4722=2, 2.9/4738=2...(5) HG2 LYS 65 - HZ PHE 57 poor 6 47 - 14 - 3.0/5188=2, ~5189=1...(5) HD2 LYS 64 - HZ PHE 57 lone 6 67 - 8 - 4663/2.2=1 HB3 ARG 45 - HZ PHE 80 lone 4 85 - 5 - HB3 ARG 45 - HZ PHE 57 lone 2 63 - 2 - Peak 4733 from aronoe.peaks (1.75, 6.93, 128.25 ppm; 4.00 A): 8 out of 20 assignments used, quality = 0.93: HB3 GLN 55 + HZ PHE 57 OK 63 82 - 77 - 1.8/5185=18, 2.9/5192=15...(14) HB3 GLN 55 + HZ PHE 80 OK 32 100 - 32 - 1.8/5185=8, 2.9/5192=7...(7) HB2 ARG 27 + HZ PHE 80 OK 31 60 - 51 - 2.9/4542=13, ~4541=10...(13) QB ALA 74 + HZ PHE 57 OK 20 43 - 48 - 4.4/5740=12, 5730/3.8=11...(9) HB3 LYS 65 + HZ PHE 80 OK 18 97 - 19 - 5188=3, 5189/3.8=3...(7) HB2 ARG 27 + HZ PHE 57 OK 17 43 - 40 - 2.9/4542=10, 4.8/5996=6...(12) HB3 LYS 65 + HZ PHE 57 OK 13 76 - 17 - 5188=3, 5189/2.2=3...(5) QB ALA 74 + HZ PHE 80 OK 12 60 - 20 - 4.4/5740=7, 4.5/5742=5...(5) HB2 LEU 73 - HZ PHE 80 lone 8 99 - 9 - ~5893=1 HB3 MET 48 - HZ PHE 80 lone 8 100 - 8 - ~4719=3, ~4720=1 HB2 LEU 73 - HZ PHE 57 lone 7 80 - 9 - ~4665=1 HB3 ARG 28 - HZ PHE 57 lone 6 61 - 10 - 5260/3.8=1, 4661/2.2=1 HB2 LYS 17 - HZ PHE 80 lone 5 71 - 7 - 2.9/4738=1, ~4724=1, ~4690=1 HB3 LYS 17 - HZ PHE 80 lone 5 68 - 7 - 2.9/4738=1, ~4724=1, ~4690=1 HB3 ARG 28 - HZ PHE 80 lone 4 83 - 5 - QE MET 11 - HZ PHE 80 lone 4 78 - 5 - 4243/5872=1 HB3 MET 48 - HZ PHE 57 lone 3 81 - 4 - QE MET 11 - HZ PHE 57 lone 3 57 - 5 - HB2 LYS 17 - HZ PHE 57 lone 2 51 - 5 - HB3 LYS 17 - HZ PHE 57 lone 2 49 - 4 - Peak 4734 from aronoe.peaks (0.57, 7.01, 131.21 ppm; 5.97 A): 1 out of 1 assignment used, quality = 0.89: HG2 LYS 64 + QD PHE 46 OK 89 93 - 96 - 1.8/4735=28, 5441=25...(23) Peak 4735 from aronoe.peaks (0.69, 7.01, 131.21 ppm; 4.77 A): 3 out of 4 assignments used, quality = 0.92: HG3 LYS 64 + QD PHE 46 OK 84 93 - 91 - 5443=26, 1.8/4734=25...(22) QD2 LEU 76 + QD PHE 46 OK 39 73 - 54 - 5787=11, 4.0/5774=8...(16) QG1 VAL 50 + QD PHE 46 OK 20 99 - 20 - 5039/2.2=5, 6085/2.4=2...(5) QD2 LEU 12 - QD PHE 46 poor 7 60 - 12 - 4256=3, 4.0/4630=2, 2.1/4742=1 Peak 4736 from aronoe.peaks (3.10, 6.93, 127.99 ppm; 5.01 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 78 + HZ PHE 57 OK 87 99 - 88 - 3.5/5826=23, 2.9/5829=22...(17) HE3 LYS 78 + HZ PHE 57 OK 86 98 - 88 - 3.5/5826=23, 2.9/5829=22...(17) HE2 LYS 78 + HZ PHE 80 OK 58 78 - 73 - 2.9/5829=17, 2.9/5828=16...(13) HE3 LYS 78 + HZ PHE 80 OK 57 77 - 73 - 2.9/5829=17, 2.9/5828=16...(13) HB2 HIS 42 - HZ PHE 57 lone 4 98 - 4 - HB2 HIS 42 - HZ PHE 80 lone 3 77 - 3 - Peak 4738 from aronoe.peaks (1.29, 6.93, 128.25 ppm; 4.28 A): 5 out of 18 assignments used, quality = 0.73: HB2 LYS 26 + HZ PHE 80 OK 54 95 - 57 - 4515=19, 4723/2.2=15...(11) HB3 LYS 68 + HZ PHE 80 OK 14 100 - 14 - 4723/2.2=5, 3048/5872=1...(4) HB2 LYS 26 + HZ PHE 57 OK 14 73 - 19 - 4515=6, ~5992=3, ~4666=3...(7) HG3 LYS 31 + HZ PHE 80 OK 12 100 - 12 - 4723/2.2=3, ~4722=2, 1962/4542=1 HG3 LYS 56 + HZ PHE 80 OK 10 90 - 12 - 4723/2.2=2, ~4722=2...(5) HD3 LYS 44 - HZ PHE 80 lone 9 100 - 9 - 4723/2.2=3, ~4722=1 HG3 LYS 56 - HZ PHE 57 poor 9 69 - 13 - 2650/7.2=2, 2658/5.8=2...(5) HB VAL 50 - HZ PHE 80 poor 8 60 - 14 - ~4727=4, 4723/2.2=4, ~5898=3 HG3 LYS 31 - HZ PHE 57 poor 8 81 - 10 - ~4662=1, 1962/4542=1 QB ALA 60 - HZ PHE 80 lone 8 93 - 9 - 5348/2.2=5, 5350/7.2=2 HG3 LYS 17 - HZ PHE 80 poor 8 71 - 11 - ~4724=2, ~4690=2...(4) HB3 LYS 68 - HZ PHE 57 lone 5 82 - 6 - 3048/5872=1 HG3 ARG 45 - HZ PHE 80 lone 4 78 - 6 - 4723/2.2=2 HG3 LYS 17 - HZ PHE 57 lone 3 51 - 6 - HD3 LYS 44 - HZ PHE 57 lone 3 81 - 4 - QB ALA 60 - HZ PHE 57 lone 2 72 - 2 - HB VAL 50 - HZ PHE 57 lone 2 43 - 4 - 6108/5742=1 HG3 ARG 45 - HZ PHE 57 lone 1 57 - 2 - Peak 4739 from aronoe.peaks (2.21, 6.82, 132.71 ppm; 4.75 A): 2 out of 4 assignments used, quality = 0.97: HE2 LYS 68 + QD TYR 32 OK 93 97 - 96 - 5570/2.2=34, 5569=26...(27) HG2 GLU 33 + QD TYR 32 OK 54 100 - 54 - 2056/4.6=18, 4642/3.7=16...(12) HG2 GLU 77 - QD TYR 32 OK 18 100 - 18 - 659/4.6=5, 4395/4407=2...(4) HG2 GLU 25 - QD TYR 32 lone 10 100 - 10 - 659/4.6=2 Peak 4740 from aronoe.peaks (2.72, 7.34, 131.20 ppm; 4.74 A): 3 out of 4 assignments used, quality = 0.96: HE3 LYS 44 + QE PHE 46 OK 70 98 - 72 - 3.0/4799=13, 3.5/4638=12...(15) HE3 LYS 64 + QE PHE 46 OK 64 83 - 78 - 3.0/5444=12, 4640/2.2=12...(21) HE2 LYS 64 + QE PHE 46 OK 60 78 - 77 - 3.0/5444=12, 4640/2.2=12...(20) HB3 ASN 90 - QE PHE 46 lone 9 99 - 9 - 4640/2.2=1, 2275/4796=1 Peak 4741 from aronoe.peaks (1.36, 7.34, 131.20 ppm; 4.73 A): 3 out of 11 assignments used, quality = 0.99: HG2 LYS 44 + QE PHE 46 OK 85 97 - 88 - 1.8/4638=17, ~4645=16...(23) HB2 LYS 64 + QE PHE 46 OK 81 100 - 81 - ~4734=16, ~5442=14...(15) QB ALA 67 + QE PHE 46 OK 59 96 - 62 - 5488/2.2=24, 5489=13...(9) HB3 LYS 56 - QE PHE 46 OK 29 85 - 35 - ~4632=3, ~4635=3...(16) HG2 LYS 68 - QE PHE 46 OK 21 98 - 21 - 4821/4.4=4, 6084/4.4=4...(4) HB3 LEU 12 - QE PHE 46 OK 15 89 - 17 - ~4256=4, 3.0/4631=1...(7) QB ALA 69 - QE PHE 46 poor 10 68 - 15 - 3.6/847=6, 5583/5471=1 HG2 LYS 91 - QE PHE 46 lone 4 99 - 4 - HG3 LYS 91 - QE PHE 46 lone 4 99 - 4 - QB ALA 89 - QE PHE 46 lone 3 100 - 3 - QB ALA 86 - QE PHE 46 lone 2 87 - 2 - Peak 4742 from aronoe.peaks (1.49, 7.01, 131.21 ppm; 4.42 A): 9 out of 14 assignments used, quality = 0.92: HG LEU 34 + QD PHE 46 OK 57 73 - 78 - 2.1/4686=31, 2.1/4690=31...(11) HG2 GLU 37 + QD PHE 46 OK 37 96 - 39 - 3.0/4633=8, 3.0/5474=7...(10) HB3 LEU 76 + QD PHE 46 OK 24 60 - 40 - 3.1/5787=10, 2.9/5774=8...(9) HB3 LYS 26 + QD PHE 46 OK 21 65 - 32 - 1.8/4514=7, 2.9/4634=5...(9) HB2 LYS 56 + QD PHE 46 OK 20 97 - 20 - 2.9/4635=4, 2623/4686=4...(5) QB ALA 72 + QD PHE 46 OK 16 100 - 16 - 5695/2.2=3, ~4216=3...(6) HG LEU 79 + QD PHE 46 OK 14 90 - 16 - 3.0/5857=5, 3.0/5862=4...(4) HD3 LYS 17 + QD PHE 46 OK 11 86 - 12 - 3.0/4690=4, ~4689=1, ~4672=1 HD2 LYS 17 + QD PHE 46 OK 11 86 - 12 - 3.0/4690=4, ~4689=1, ~4672=1 QB ALA 71 - QD PHE 46 poor 9 60 - 15 - ~336=4, ~4214=4...(4) HG LEU 12 - QD PHE 46 poor 8 62 - 12 - 2.1/4256=4, 3.7/4630=2 HB2 ARG 45 - QD PHE 46 lone 8 86 - 9 - ~4638=2 HG3 ARG 27 - QD PHE 46 lone 5 65 - 8 - 1.8/4541=2, 4.1/4630=1 HB2 LEU 85 - QD PHE 46 lone 2 78 - 3 - Peak 4743 from aronoe.peaks (1.43, 6.93, 128.25 ppm; 3.99 A): 5 out of 22 assignments used, quality = 0.94: HG3 LYS 78 + HZ PHE 57 OK 51 57 - 89 - 1.8/5826=23, 2.8/5825=16...(26) HG3 LYS 78 + HZ PHE 80 OK 50 78 - 64 - 1.8/5826=16, 2.8/5825=12...(14) HG2 ARG 27 + HZ PHE 80 OK 50 89 - 57 - 4542=14, 4541/2.2=14...(14) HB3 LEU 76 + HZ PHE 80 OK 31 63 - 50 - ~5774=11, ~5787=10...(9) HD2 LYS 64 + HZ PHE 80 OK 30 81 - 37 - ~4727=6, ~5443=5...(11) HG2 ARG 27 - HZ PHE 57 OK 29 67 - 43 - 4542=11, 3.9/5996=7...(16) HB3 LYS 64 - HZ PHE 80 OK 28 99 - 29 - ~4727=6, ~5443=5...(6) HG2 LYS 65 - HZ PHE 80 OK 16 97 - 16 - 3.0/5188=3, ~5895=2...(5) HB3 LEU 76 - HZ PHE 57 OK 15 45 - 33 - ~5786=5, ~4666=5...(9) HB3 LEU 34 - HZ PHE 80 OK 12 95 - 12 - ~4690=3, ~4686=2, ~4724=1 HG2 LYS 65 - HZ PHE 57 OK 11 76 - 14 - 3.0/5188=2, 5990/2.2=1...(5) HG LEU 12 - HZ PHE 80 OK 10 60 - 17 - ~4256=5, 2.1/4729=2...(5) HD2 LYS 44 - HZ PHE 80 lone 8 93 - 9 - ~4723=2, 1.8/4738=2 HG2 LYS 31 - HZ PHE 80 poor 7 65 - 10 - 1.8/4738=2, ~4723=2 HB3 LEU 34 - HZ PHE 57 lone 5 73 - 7 - 2082/8.1=1, 4668/7.2=1 HB3 LYS 64 - HZ PHE 57 lone 5 80 - 6 - HG LEU 12 - HZ PHE 57 poor 5 43 - 11 - ~5992=1, ~4666=1, 2.1/4729=1 HD2 LYS 64 - HZ PHE 57 lone 4 59 - 7 - 5990/2.2=1 HB3 ARG 45 - HZ PHE 80 lone 4 85 - 5 - HG2 LYS 31 - HZ PHE 57 lone 4 47 - 8 - 1.8/4738=2 HD2 LYS 44 - HZ PHE 57 lone 2 72 - 3 - HB3 ARG 45 - HZ PHE 57 lone 1 63 - 2 - Peak 4744 from aronoe.peaks (1.54, 6.93, 128.25 ppm; 4.31 A): 9 out of 18 assignments used, quality = 0.93: HG3 ARG 27 + HZ PHE 80 OK 43 71 - 61 - 1.8/4542=18, ~4541=15...(13) HB3 LYS 26 + HZ PHE 80 OK 39 71 - 55 - 1.8/4515=20, ~4514=12...(9) HG LEU 30 + HZ PHE 80 OK 32 100 - 32 - ~4594=15, 2.1/4729=4...(8) HD3 LYS 64 + HZ PHE 80 OK 32 85 - 38 - ~4727=7, ~5443=6...(9) HG3 ARG 27 + HZ PHE 57 OK 24 51 - 47 - 1.8/4542=14, 3.9/5996=9...(13) HG LEU 30 + HZ PHE 57 OK 19 82 - 23 - ~4665=4, ~4664=3...(9) HD2 LYS 56 + HZ PHE 57 OK 15 76 - 20 - ~4657=4, ~2720=3...(9) HD2 LYS 56 + HZ PHE 80 OK 12 97 - 13 - ~4722=2, 3.0/4738=2...(4) HG LEU 34 + HZ PHE 80 OK 10 63 - 16 - ~4690=5, ~4686=4...(5) HB3 LYS 26 - HZ PHE 57 poor 10 51 - 19 - 1.8/4515=7, ~5992=3...(6) QB ALA 71 - HZ PHE 57 poor 7 55 - 13 - 5652/5.8=5, 5654/5.8=3 HB3 LYS 44 - HZ PHE 80 lone 7 100 - 7 - 3.7/4738=1 QB ALA 71 - HZ PHE 80 lone 7 76 - 9 - ~4711=2, 5654/5.8=1 HB3 LEU 87 - HZ PHE 57 lone 6 76 - 8 - ~4656=2, ~4665=2, ~4664=1 HD3 LYS 64 - HZ PHE 57 lone 5 63 - 9 - ~5990=1, ~4663=1, ~4666=1 HB3 LEU 87 - HZ PHE 80 lone 3 97 - 3 - HB3 LYS 44 - HZ PHE 57 lone 3 82 - 4 - HG LEU 34 - HZ PHE 57 lone 3 45 - 6 - 2089/8.1=1 Peak 4745 from aronoe.peaks (3.17, 6.93, 128.25 ppm; 5.70 A): 7 out of 10 assignments used, quality = 1.00: HB2 PHE 80 + HZ PHE 80 OK 97 99 - 99 - 5.8=95, 2.5/4589=31...(13) HB2 PHE 57 + HZ PHE 57 OK 79 81 - 97 - 5.8=95, 2.5/4574=21...(9) HD2 ARG 27 + HZ PHE 80 OK 78 93 - 83 - 3.0/4542=24, ~4541=22...(21) HB2 PHE 57 + HZ PHE 80 OK 53 100 - 54 - 2.5/5984=18, 4.4/5983=15...(11) HB2 PHE 80 + HZ PHE 57 OK 52 79 - 66 - 2.5/4589=19, 3430/2.2=14...(14) HD2 ARG 27 + HZ PHE 57 OK 51 72 - 71 - 3.0/4542=18, 2.9/5996=17...(21) HD3 PRO 81 + HZ PHE 80 OK 50 93 - 53 - 5908/7.2=15, 5907/3.8=13...(10) HD3 PRO 81 - HZ PHE 57 OK 36 72 - 50 - 5907/2.2=11, ~5910=9...(16) HD2 ARG 28 - HZ PHE 57 OK 16 78 - 21 - 2725/3.8=3, 2719/2.2=3...(8) HD2 ARG 28 - HZ PHE 80 OK 13 98 - 13 - 3445/3.8=2, 4717/2.2=2 Average quality of peak assignments : 0.936 Average number of used assignments : 2.598 Average rank of reference assignment: 1.064 Peaks with increased upper limit : 0 Peaks with decreased upper limit : 0 Peaks: selected : 6010 in nnoeabs.peaks : 1366 in cnoeabs.peaks : 4435 in aronoe.peaks : 209 assigned : 5967 unassigned : 43 without assignment possibility : 7 with violation below 0.5 A : 36 with violation between 0.5 and 3.0 A : 0 with violation above 3.0 A : 0 in nnoeabs.peaks : 7 in cnoeabs.peaks : 30 in aronoe.peaks : 6 with diagonal assignment : 584 Cross peaks: with off-diagonal assignment : 5383 with unique assignment : 1450 with short-range assignment |i-j|<=1: 3838 with medium-range assignment 1<|i-j|<5 : 749 with long-range assignment |i-j|>=5: 796 Comparison with reference assignment: Cross peaks with reference assignment : 3587 with identical reference assignment : 1141 with compatible reference assignment : 3496 with incompatible reference assignment : 1 with additional reference assignment : 1 with additional assignment : 1886