NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
501717 | 2kw1 | cing | 1-original | 2 | AMBER | distance | NOE | ambi |
# # 31 TRP HE1 31 TRP HD1 2.80 (# 0:20 Unique 2.57, 2.57 A) &rst ixpk= 0, nxpk= 20, iat= 497, 495, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, &end # # 31 TRP HN 31 TRP HD1 4.50 (# 1:20 Unique 2.55, 3.02 A) &rst ixpk= 1, nxpk= 20, iat= 487, 495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 31 TRP HA 31 TRP HD1 5.50 (# 2:20 Unique 2.30, 2.70 A) &rst ixpk= 2, nxpk= 20, iat= 489, 495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 31 TRP HB+ 31 TRP HD1 5.50 (# 3:20 Unique 2.76, 3.55 A) &rst ixpk= 3, nxpk= 20, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 491, 492, &end # # 31 TRP HB- 31 TRP HD1 5.50 (# 4:20 Unique 2.76, 3.55 A) &rst ixpk= 4, nxpk= 20, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 491, 492, &end # # 31 TRP HE1 31 TRP HZ2 5.50 (# 5:20 Unique 2.82, 2.82 A) &rst ixpk= 5, nxpk= 20, iat= 497, 500, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:6 19 PHE HD 5.50 (# 6:20 Single Ambig) &rst ixpk= 6, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 285, 237, igr2= 293, 301, &end # # 19 PHE HA 19 PHE HD 5.50 (# 7:20 Unique 2.04, 3.47 A) &rst ixpk= 7, nxpk= 20, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 293, 301, &end # # 19 PHE HB+ 19 PHE HD 3.50 (# 8:20 Unique 2.28, 3.04 A) &rst ixpk= 8, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 289, 290, igr2= 293, 301, &end # # 19 PHE HB- 19 PHE HD 3.50 (# 9:20 Unique 2.28, 3.04 A) &rst ixpk= 9, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 289, 290, igr2= 293, 301, &end # # 12 LEU HB- 19 PHE HD 4.50 (# 10:20 Preassigned 2.89, 6.39 A) &rst ixpk= 10, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 188, 189, igr2= 293, 301, &end # # 0 AMB 20-2:11 19 PHE HD 4.50 (# 11:20 Single Ambig) &rst ixpk= 11, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 224, 225, 188, 189, igr2= 293, 301, &end # # 0 AMB 20-2:12 19 PHE HD 5.50 (# 12:20 Single Ambig) &rst ixpk= 12, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 193, 194, 195, 197, 198, 199, 191, 342, 343, 344, igr2= 293, 301, &end # # 10 TRP HE1 10 TRP HD1 2.80 (# 13:20 Unique 2.57, 2.57 A) &rst ixpk= 13, nxpk= 20, iat= 154, 152, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 86 GLU HA 10 TRP HD1 3.50 (# 14:20 Unique 2.04, 5.13 A) &rst ixpk= 14, nxpk= 20, iat=1335, 152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:15 10 TRP HD1 4.50 (# 15:20 Single Ambig) &rst ixpk= 15, nxpk= 20, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 148, 149, 148, 149, &end # # 0 AMB 20-2:16 10 TRP HD1 3.50 (# 16:20 Single Ambig) &rst ixpk= 16, nxpk= 20, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1=1340,1341,1337,1338,1337,1338,1304, &end # # 84 ILE QG2 10 TRP HD1 3.50 (# 17:20 Unique 3.06, 4.33 A) &rst ixpk= 17, nxpk= 20, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1306,1307,1308, &end # # 10 TRP HE1 10 TRP HZ2 5.50 (# 18:20 Unique 2.82, 2.82 A) &rst ixpk= 18, nxpk= 20, iat= 154, 157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 61 ILE QD1 10 TRP HH2 5.50 (# 19:20 Preassigned 4.63,12.26 A) &rst ixpk= 19, nxpk= 20, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 939, 940, 941, &end # # 10 TRP HZ3 10 TRP HE3 5.50 (# 20:20 Unique 2.46, 2.46 A) &rst ixpk= 20, nxpk= 20, iat= 161, 163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 13 HIS HB- 13 HIS HD2 4.50 (# 21:20 Unique 2.71, 3.32 A) &rst ixpk= 21, nxpk= 20, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 207, 208, &end # # 13 HIS HB+ 13 HIS HD2 3.50 (# 22:20 Unique 2.71, 3.32 A) &rst ixpk= 22, nxpk= 20, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 207, 208, &end # # 13 HIS HN 13 HIS HD2 5.50 (# 23:20 Unique 2.36, 4.07 A) &rst ixpk= 23, nxpk= 20, iat= 203, 216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 25 LYS HE- 75 HIS HE1 5.50 (# 28:20 Preassigned 4.22, 7.97 A) &rst ixpk= 28, nxpk= 20, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 411, 412, &end # # 25 LYS HE+ 75 HIS HE1 5.50 (# 29:20 Unique 4.22, 7.97 A) &rst ixpk= 29, nxpk= 20, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 411, 412, &end # # 73 ILE HB 75 HIS HE1 3.50 (# 31:20 Preassigned 3.17, 5.05 A) &rst ixpk= 31, nxpk= 20, iat=1116,1160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:32 0 AMB 20-1:32 4.50 (# 32:20 Double Ambig) &rst ixpk= 32, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99, igr1= 373, 374, 375, 377, 378, 379,1125,1126,1127, 693, 694, 695, 697, 698, 699, igr2=1160, 677, 681, &end # # 23 LEU MDY 75 HIS HE1 4.50 (# 33:20 Unique 3.99, 7.63 A) &rst ixpk= 33, nxpk= 20, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 373, 374, 375, 377, 378, 379, &end # # 73 ILE QG2 75 HIS HE1 2.80 (# 34:20 Unique 2.51, 4.75 A) &rst ixpk= 34, nxpk= 20, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1118,1119,1120, &end # # 73 ILE HG1- 0 AMB 20-1:35 5.50 (# 35:20 Single Ambig) &rst ixpk= 35, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1122,1123, igr2=1160, 677, 681, &end # # 63 ALA MB 75 HIS HE1 4.50 (# 36:20 Unique 2.34, 5.59 A) &rst ixpk= 36, nxpk= 20, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 971, 972, 973, &end # # 0 AMB 20-2:37 75 HIS HE1 4.50 (# 37:20 Single Ambig) &rst ixpk= 37, nxpk= 20, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 405, 406, 371, &end # # 60 TYR HN 60 TYR HD 3.50 (# 38:20 Preassigned 3.06, 4.50 A) &rst ixpk= 38, nxpk= 20, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 913, 922, &end # # 61 ILE HN 60 TYR HD 5.50 (# 39:20 Preassigned 2.55, 4.31 A) &rst ixpk= 39, nxpk= 20, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 913, 922, &end # # 60 TYR HA 60 TYR HD 4.50 (# 41:20 Unique 2.27, 3.64 A) &rst ixpk= 41, nxpk= 20, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 913, 922, &end # # 60 TYR HB+ 60 TYR HD 2.80 (# 42:20 Preassigned 2.30, 3.05 A) &rst ixpk= 42, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 909, 910, igr2= 913, 922, &end # # 60 TYR HB- 60 TYR HD 2.80 (# 43:20 Preassigned 2.30, 3.05 A) &rst ixpk= 43, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 909, 910, igr2= 913, 922, &end # # 0 AMB 20-2:44 60 TYR HD 2.80 (# 44:20 Single Ambig) &rst ixpk= 44, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=1204,1206,1207,1208, igr2= 913, 922, &end # # 78 ILE HG1+ 60 TYR HD 5.50 (# 45:20 Preassigned 3.67, 6.14 A) &rst ixpk= 45, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1210,1211, igr2= 913, 922, &end # # 57 HIS HN 57 HIS HD2 3.50 (# 47:20 Unique 2.90, 4.79 A) &rst ixpk= 47, nxpk= 20, iat= 865, 878, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 57 HIS HB+ 57 HIS HD2 3.50 (# 48:20 Unique 2.69, 3.37 A) &rst ixpk= 48, nxpk= 20, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 869, 870, &end # # 57 HIS HB- 57 HIS HD2 5.50 (# 49:20 Unique 2.69, 3.37 A) &rst ixpk= 49, nxpk= 20, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 869, 870, &end # # 14 MET ME 57 HIS HD2 2.80 (# 50:20 Unique 2.24, 5.64 A) &rst ixpk= 50, nxpk= 20, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 231, 232, 233, &end # # 54 ILE QG2 57 HIS HD2 5.50 (# 51:20 Unique 2.78, 6.57 A) &rst ixpk= 51, nxpk= 20, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 831, 832, 833, &end # # 55 GLY HA+ 57 HIS HD2 5.50 (# 52:20 Unique 4.59, 7.99 A) &rst ixpk= 52, nxpk= 20, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 846, 847, &end # # 52 PHE HN 52 PHE HD 5.50 (# 53:20 Preassigned 2.30, 4.04 A) &rst ixpk= 53, nxpk= 20, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 802, 810, &end # # 52 PHE HA 52 PHE HD 4.50 (# 54:20 Unique 2.37, 4.05 A) &rst ixpk= 54, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 802, 810, &end # # 52 PHE HB+ 52 PHE HD 2.80 (# 55:20 Unique 2.28, 3.04 A) &rst ixpk= 55, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 798, 799, igr2= 802, 810, &end # # 52 PHE HB- 52 PHE HD 2.80 (# 56:20 Unique 2.28, 3.04 A) &rst ixpk= 56, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 798, 799, igr2= 802, 810, &end # # 59 CYS HB+ 52 PHE HD 5.50 (# 57:20 Preassigned 3.35, 5.18 A) &rst ixpk= 57, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 898, 899, igr2= 802, 810, &end # # 0 AMB 20-2:58 52 PHE HD 2.80 (# 58:20 Single Ambig) &rst ixpk= 58, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 936, 937, 835, 836, igr2= 802, 810, &end # # 50 THR MG2 52 PHE HD 2.80 (# 59:20 Unique 2.04, 5.08 A) &rst ixpk= 59, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 769, 770, 771, igr2= 802, 810, &end # # 39 THR MG2 52 PHE HD 2.80 (# 60:20 Unique 3.06, 5.16 A) &rst ixpk= 60, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 627, 628, 629, igr2= 802, 810, &end # # 54 ILE QD1 52 PHE HD 2.80 (# 61:20 Preassigned 4.86, 8.89 A) &rst ixpk= 61, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 838, 839, 840, igr2= 802, 810, &end # # 37 LEU MDY 52 PHE HD 2.80 (# 62:20 Unique 2.00, 6.51 A) &rst ixpk= 62, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 596, 597, 598, 600, 601, 602, igr2= 802, 810, &end # # 30 VAL MGX 52 PHE HD 5.50 (# 63:20 Unique 2.35, 5.20 A) &rst ixpk= 63, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 477, 478, 479, 481, 482, 483, igr2= 802, 810, &end # # 61 ILE HG1- 52 PHE HE 3.50 (# 64:20 Unique 2.00, 5.50 A) &rst ixpk= 64, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 936, 937, igr2= 804, 808, &end # # 0 AMB 20-2:65 52 PHE HE 5.50 (# 65:20 Single Ambig) &rst ixpk= 65, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04, igr1= 769, 770, 771, 475, 339, 340, 829, igr2= 804, 808, &end # # 0 AMB 20-2:66 52 PHE HE 2.80 (# 66:20 Single Ambig) &rst ixpk= 66, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1= 936, 937, 939, 940, 941, igr2= 804, 808, &end # # 54 ILE QD1 52 PHE HE 3.50 (# 67:20 Preassigned 3.61, 8.30 A) &rst ixpk= 67, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 838, 839, 840, igr2= 804, 808, &end # # 77 LEU MDX 52 PHE HE 5.50 (# 68:20 Unique 3.07, 6.45 A) &rst ixpk= 68, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1190,1191,1192,1194,1195,1196, igr2= 804, 808, &end # # 37 LEU MDY 52 PHE HE 5.50 (# 69:20 Unique 2.00, 7.44 A) &rst ixpk= 69, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 596, 597, 598, 600, 601, 602, igr2= 804, 808, &end # # 77 LEU MDX 52 PHE HZ 3.50 (# 70:20 Unique 2.02, 5.32 A) &rst ixpk= 70, nxpk= 20, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1190,1191,1192,1194,1195,1196, &end # # 0 AMB 20-2:71 52 PHE HZ 5.50 (# 71:20 Single Ambig) &rst ixpk= 71, nxpk= 20, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1188, 936, 937, 939, 940, 941, &end # # 51 HIS HN 51 HIS HD2 3.50 (# 78:20 Unique 4.73, 5.22 A) &rst ixpk= 78, nxpk= 20, iat= 777, 790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 20-2:79 51 HIS HD2 5.50 (# 79:20 Single Ambig) &rst ixpk= 79, nxpk= 20, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 645, 905, 652, &end # # 51 HIS HA 51 HIS HD2 5.50 (# 80:20 Unique 2.38, 3.51 A) &rst ixpk= 80, nxpk= 20, iat= 779, 790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 20-2:82 51 HIS HD2 4.50 (# 82:20 Single Ambig) &rst ixpk= 82, nxpk= 20, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 781, 782, 781, 782, &end # # 49 GLU HB- 51 HIS HD2 4.50 (# 83:20 Preassigned 5.68, 7.69 A) &rst ixpk= 83, nxpk= 20, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 752, 753, &end # # 0 AMB 20-2:84 51 HIS HD2 2.80 (# 84:20 Single Ambig) &rst ixpk= 84, nxpk= 20, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 656, 657, 755, 756, &end # # 43 PHE HB+ 43 PHE HD 3.50 (# 85:20 Unique 2.28, 3.04 A) &rst ixpk= 85, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 671, 672, igr2= 675, 683, &end # # 43 PHE HB- 43 PHE HD 3.50 (# 86:20 Unique 2.28, 3.04 A) &rst ixpk= 86, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 671, 672, igr2= 675, 683, &end # # 48 THR MG2 43 PHE HD 5.50 (# 87:20 Unique 2.26, 6.19 A) &rst ixpk= 87, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 740, 741, 742, igr2= 675, 683, &end # # 19 PHE HA 19 PHE HE 5.50 (# 89:20 Unique 4.39, 5.30 A) &rst ixpk= 89, nxpk= 20, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 295, 299, &end # # 14 MET HB- 19 PHE HE 5.50 (# 90:20 Unique 2.01, 5.47 A) &rst ixpk= 90, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 224, 225, igr2= 295, 299, &end # # 81 ASN HN 60 TYR HE 5.50 (# 91:20 Unique 2.71, 7.51 A) &rst ixpk= 91, nxpk= 20, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 915, 920, &end # # 62 LYS HB+ 60 TYR HE 2.80 (# 92:20 Preassigned 2.05, 7.95 A) &rst ixpk= 92, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 949, 950, igr2= 915, 920, &end # # 62 LYS HD- 60 TYR HE 3.50 (# 93:20 Unique 3.17, 8.91 A) &rst ixpk= 93, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 955, 956, igr2= 915, 920, &end # # 62 LYS HB- 60 TYR HE 2.80 (# 94:20 Unique 2.05, 7.95 A) &rst ixpk= 94, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 949, 950, igr2= 915, 920, &end # # 62 LYS HG- 60 TYR HE 3.50 (# 95:20 Preassigned 4.31, 9.50 A) &rst ixpk= 95, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 952, 953, igr2= 915, 920, &end # # 78 ILE QD1 60 TYR HE 3.50 (# 96:20 Unique 4.66, 9.09 A) &rst ixpk= 96, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1213,1214,1215, igr2= 915, 920, &end # # 78 ILE HG1- 60 TYR HE 4.50 (# 97:20 Unique 2.75, 7.31 A) &rst ixpk= 97, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1210,1211, igr2= 915, 920, &end # # 78 ILE HG1+ 60 TYR HE 4.50 (# 98:20 Preassigned 2.75, 7.31 A) &rst ixpk= 98, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1210,1211, igr2= 915, 920, &end # # 0 AMB 20-2:99 60 TYR HE 2.80 (# 99:20 Single Ambig) &rst ixpk= 99, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1=1206,1207,1208,1204, igr2= 915, 920, &end # # 14 MET HB+ 57 HIS HE1 5.50 (# 100:20 Preassigned 3.74, 7.15 A) &rst ixpk= 100, nxpk= 20, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 224, 225, &end # # 14 MET HG+ 57 HIS HE1 5.50 (# 101:20 Unique 2.57, 6.55 A) &rst ixpk= 101, nxpk= 20, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 227, 228, &end # # 14 MET ME 57 HIS HE1 5.50 (# 102:20 Unique 3.32, 6.16 A) &rst ixpk= 102, nxpk= 20, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 231, 232, 233, &end # # 14 MET HB- 57 HIS HE1 5.50 (# 103:20 Preassigned 3.74, 7.15 A) &rst ixpk= 103, nxpk= 20, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 224, 225, &end # # 49 GLU HG+ 51 HIS HE1 5.50 (# 106:20 Preassigned 6.54,11.33 A) &rst ixpk= 106, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 755, 756, &end # # 49 GLU HB- 51 HIS HE1 3.50 (# 107:20 Preassigned 5.26, 9.25 A) &rst ixpk= 107, nxpk= 20, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 752, 753, &end
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