NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
491396 |
2jsn   |
15370 | cing | 1-original | 10 | AMBER | distance | NOE | simple |
#
# 67 ALA HN 66 THR HB 3.50 (# 0:25 Unique 2.15, 2.20 A)
&rst
ixpk= 0, nxpk= 25, iat=1041,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 68 ASP HN 66 THR HB 4.50 (# 1:25 Unique 2.57, 2.63 A)
&rst
ixpk= 1, nxpk= 25, iat=1051,1031, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ALA MB 66 THR HB 3.50 (# 2:25 Unique 3.78, 4.54 A)
&rst
ixpk= 2, nxpk= 25, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1045,1046,1047,
&end
#
# 66 THR MG2 66 THR HB 2.50 (# 3:25 Unique 2.43, 2.66 A)
&rst
ixpk= 3, nxpk= 25, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1033,1034,1035,
&end
#
# 0 AMB 25-2:4 94 THR HB 4.50 (# 4:25 Single Ambig)
&rst
ixpk= 4, nxpk= 25, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1494,1469,
&end
#
# 94 THR MG2 94 THR HB 2.50 (# 5:25 Unique 2.38, 2.66 A)
&rst
ixpk= 5, nxpk= 25, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1475,1476,1477,
&end
#
# 95 SER HN 94 THR HB 4.50 (# 6:25 Unique 2.31, 3.52 A)
&rst
ixpk= 6, nxpk= 25, iat=1483,1473, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 THR HA 21 THR HB 4.50 (# 9:25 Unique 2.57, 2.67 A)
&rst
ixpk= 9, nxpk= 25, iat= 315, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 THR MG2 21 THR HB 2.50 (# 11:25 Unique 2.42, 2.66 A)
&rst
ixpk= 11, nxpk= 25, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 319, 320, 321,
&end
#
# 72 VAL HN 72 VAL HA 3.50 (# 12:25 Unique 2.77, 2.79 A)
&rst
ixpk= 12, nxpk= 25, iat=1107,1109, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 TYR HN 72 VAL HA 4.50 (# 13:25 Unique 3.12, 3.34 A)
&rst
ixpk= 13, nxpk= 25, iat=1157,1109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 TYR HB- 72 VAL HA 3.50 (# 14:25 Unique 2.21, 2.70 A)
&rst
ixpk= 14, nxpk= 25, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1161,1162,
&end
#
# 72 VAL HB 72 VAL HA 3.50 (# 15:25 Unique 2.41, 2.97 A)
&rst
ixpk= 15, nxpk= 25, iat=1111,1109, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:16 72 VAL HA 2.50 (# 16:25 Single Ambig)
&rst
ixpk= 16, nxpk= 25, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
1118,1119,1033,1034,1035,
&end
#
# 24 TYR HN 23 SER QB 2.50 (# 21:25 Unique 2.15, 2.86 A)
&rst
ixpk= 21, nxpk= 25, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 351, 352,
&end
#
# 82 TYR HD 79 PRO HA 4.50 (# 25:25 Unique 2.15, 3.41 A)
&rst
ixpk= 25, nxpk= 25, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1264,1273,
&end
#
# 0 AMB 25-2:26 79 PRO HA 3.50 (# 26:25 Single Ambig)
&rst
ixpk= 26, nxpk= 25, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1266,1271, 368, 373,1251,1252,
&end
#
# 24 TYR HD 79 PRO HA 5.50 (# 27:25 Unique 3.71, 6.61 A)
&rst
ixpk= 27, nxpk= 25, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 366, 375,
&end
#
# 79 PRO HG+ 79 PRO HA 4.50 (# 28:25 Unique 3.81, 3.94 A)
&rst
ixpk= 28, nxpk= 25, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1222,1223,
&end
#
# 79 PRO HB+ 79 PRO HA 3.50 (# 29:25 Unique 2.25, 2.49 A)
&rst
ixpk= 29, nxpk= 25, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1225,1226,
&end
#
# 79 PRO HG- 79 PRO HA 4.50 (# 30:25 Unique 3.81, 3.94 A)
&rst
ixpk= 30, nxpk= 25, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1222,1223,
&end
#
# 79 PRO HB- 79 PRO HA 2.50 (# 31:25 Unique 2.25, 2.49 A)
&rst
ixpk= 31, nxpk= 25, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1225,1226,
&end
#
# 50 GLY HN 49 VAL HA 2.50 (# 32:25 Unique 2.13, 2.35 A)
&rst
ixpk= 32, nxpk= 25, iat= 797, 783, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 25-2:33 49 VAL HA 3.50 (# 33:25 Single Ambig)
&rst
ixpk= 33, nxpk= 25, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 629, 685, 686,
&end
#
# 49 VAL HB 49 VAL HA 3.50 (# 34:25 Unique 2.37, 2.59 A)
&rst
ixpk= 34, nxpk= 25, iat= 785, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 VAL MGY 49 VAL HA 3.50 (# 35:25 Unique 2.14, 4.00 A)
&rst
ixpk= 35, nxpk= 25, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 631, 632, 633, 635, 636, 637,
&end
#
# 0 AMB 25-2:36 49 VAL HA 2.50 (# 36:25 Single Ambig)
&rst
ixpk= 36, nxpk= 25, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
792, 793,
&end
#
# 95 SER HN 95 SER QB 3.50 (# 38:25 Unique 2.46, 3.14 A)
&rst
ixpk= 38, nxpk= 25, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1487,1488,
&end
#
# 57 ASN HN 85 SER HB+ 4.50 (# 39:25 Unique 2.90, 3.78 A)
&rst
ixpk= 39, nxpk= 25, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1311,1312,
&end
#
# 86 ILE HN 85 SER HB+ 4.50 (# 40:25 Unique 2.91, 3.56 A)
&rst
ixpk= 40, nxpk= 25, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1311,1312,
&end
#
# 57 ASN HN 85 SER HB- 4.50 (# 42:25 Unique 2.90, 3.78 A)
&rst
ixpk= 42, nxpk= 25, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1311,1312,
&end
#
# 86 ILE HN 85 SER HB- 4.50 (# 43:25 Unique 2.91, 3.56 A)
&rst
ixpk= 43, nxpk= 25, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1311,1312,
&end
#
# 85 SER HN 85 SER HB- 3.50 (# 44:25 Unique 2.47, 3.15 A)
&rst
ixpk= 44, nxpk= 25, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1311,1312,
&end
#
# 85 SER HA 85 SER HB- 3.50 (# 45:25 Unique 2.40, 2.74 A)
&rst
ixpk= 45, nxpk= 25, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1311,1312,
&end
#
# 57 ASN HA 85 SER HB- 3.50 (# 46:25 Unique 2.30, 3.44 A)
&rst
ixpk= 46, nxpk= 25, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1311,1312,
&end
#
# 0 AMB 25-2:49 85 SER HB- 4.50 (# 49:25 Single Ambig)
&rst
ixpk= 49, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 882, 883, 884,1331,1332,1333,
igr2=1311,1312,
&end
#
# 54 LEU HN 53 VAL HA 2.50 (# 51:25 Unique 2.18, 2.23 A)
&rst
ixpk= 51, nxpk= 25, iat= 847, 833, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 88 PHE HA 53 VAL HA 4.50 (# 52:25 Unique 2.14, 2.43 A)
&rst
ixpk= 52, nxpk= 25, iat=1363, 833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:53 53 VAL HA 2.50 (# 53:25 Single Ambig)
&rst
ixpk= 53, nxpk= 25, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 837, 838, 839, 841, 842, 843, 856, 857, 858, 860,
861, 862,
&end
#
# 53 VAL MGY 53 VAL HA 3.50 (# 54:25 Unique 2.45, 3.24 A)
&rst
ixpk= 54, nxpk= 25, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 837, 838, 839, 841, 842, 843,
&end
#
# 40 ALA HN 39 VAL HA 3.50 (# 55:25 Unique 2.10, 2.15 A)
&rst
ixpk= 55, nxpk= 25, iat= 641, 627, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:56 39 VAL HA 2.50 (# 56:25 Single Ambig)
&rst
ixpk= 56, nxpk= 25, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 471, 472, 473, 475, 476, 477, 469, 631, 632, 633,
635, 636, 637,
&end
#
# 0 AMB 25-2:57 11 SER QB 2.50 (# 57:25 Single Ambig)
&rst
ixpk= 57, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 172, 161,
igr2= 165, 166,
&end
#
# 11 SER HA 11 SER QB 2.50 (# 59:25 Unique 2.33, 2.71 A)
&rst
ixpk= 59, nxpk= 25, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 165, 166,
&end
#
# 0 AMB 25-2:61 0 AMB 25-1:61 3.50 (# 61:25 Double Ambig)
&rst
ixpk= 61, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1426, 217,
igr2=1422, 213,
&end
#
# 0 AMB 25-2:62 83 PRO HA 4.50 (# 62:25 Single Ambig)
&rst
ixpk= 62, nxpk= 25, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 351, 352,1278,1279,
&end
#
# 83 PRO HD+ 83 PRO HA 4.50 (# 63:25 Unique 3.50, 3.82 A)
&rst
ixpk= 63, nxpk= 25, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1278,1279,
&end
#
# 0 AMB 25-2:64 0 AMB 25-1:64 3.50 (# 64:25 Double Ambig)
&rst
ixpk= 64, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1413,1414,1413,1414, 204, 205, 204, 205,
igr2=1422, 213,
&end
#
# 14 PRO HB+ 14 PRO HA 3.50 (# 66:25 Unique 2.27, 2.62 A)
&rst
ixpk= 66, nxpk= 25, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 210, 211,
&end
#
# 0 AMB 25-2:67 0 AMB 25-1:67 2.50 (# 67:25 Double Ambig)
&rst
ixpk= 67, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1419,1420, 210, 211,1284,1285,
igr2=1422, 213,1287,
&end
#
# 0 AMB 25-2:68 0 AMB 25-1:68 3.50 (# 68:25 Double Ambig)
&rst
ixpk= 68, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1419,1420,1284,1285,
igr2=1422,1287,
&end
#
# 0 AMB 25-2:69 0 AMB 25-1:69 4.50 (# 69:25 Double Ambig)
&rst
ixpk= 69, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1= 613, 507, 508, 570, 571, 466, 467, 491, 492, 986,
987,1454,1455,
igr2= 592,1422,
&end
#
# 52 ALA MB 91 PRO HA 3.50 (# 70:25 Unique 2.11, 3.10 A)
&rst
ixpk= 70, nxpk= 25, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 825, 826, 827,
&end
#
# 0 AMB 25-2:72 37 VAL HA 3.50 (# 72:25 Single Ambig)
&rst
ixpk= 72, nxpk= 25, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 522, 481,
&end
#
# 38 LEU HN 37 VAL HA 2.50 (# 73:25 Unique 2.07, 2.15 A)
&rst
ixpk= 73, nxpk= 25, iat= 606, 592, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 37 VAL HN 37 VAL HA 4.50 (# 74:25 Unique 2.92, 2.96 A)
&rst
ixpk= 74, nxpk= 25, iat= 590, 592, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 LEU HA 37 VAL HA 5.50 (# 75:25 Unique 2.21, 2.36 A)
&rst
ixpk= 75, nxpk= 25, iat= 505, 592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:76 37 VAL HA 2.50 (# 76:25 Single Ambig)
&rst
ixpk= 76, nxpk= 25, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 596, 597, 598, 600, 601, 602, 596, 597, 598, 600,
601, 602, 615, 616, 617, 619, 620, 621, 512, 513,
514, 516, 517, 518,
&end
#
# 75 TYR HN 75 TYR HA 3.50 (# 77:25 Unique 2.79, 2.81 A)
&rst
ixpk= 77, nxpk= 25, iat=1157,1159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 ASN HD2+ 75 TYR HA 4.50 (# 78:25 Unique 2.78, 3.89 A)
&rst
ixpk= 78, nxpk= 25, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1251,1252,
&end
#
# 75 TYR HD 75 TYR HA 3.50 (# 79:25 Unique 2.40, 3.48 A)
&rst
ixpk= 79, nxpk= 25, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1165,1174,
&end
#
# 81 ASN HD2- 75 TYR HA 4.50 (# 80:25 Unique 2.78, 3.89 A)
&rst
ixpk= 80, nxpk= 25, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1251,1252,
&end
#
# 75 TYR HB+ 75 TYR HA 3.50 (# 81:25 Unique 2.46, 2.78 A)
&rst
ixpk= 81, nxpk= 25, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1161,1162,
&end
#
# 75 TYR HB- 75 TYR HA 3.50 (# 82:25 Unique 2.46, 2.78 A)
&rst
ixpk= 82, nxpk= 25, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1161,1162,
&end
#
# 0 AMB 25-2:83 75 TYR HA 4.50 (# 83:25 Single Ambig)
&rst
ixpk= 83, nxpk= 25, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1149,1150,1146,1147,1246,1247,
&end
#
# 0 AMB 25-2:84 75 TYR HA 5.50 (# 84:25 Single Ambig)
&rst
ixpk= 84, nxpk= 25, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1187,1188,1189,1191,1192,1193,1113,1114,1115,1117,
1118,1119,1113,1114,1115,1117,1118,1119,
&end
#
# 24 TYR HA 25 PRO HA 3.50 (# 86:25 Unique 2.23, 2.61 A)
&rst
ixpk= 86, nxpk= 25, iat= 360, 389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:87 25 PRO HA 3.50 (# 87:25 Single Ambig)
&rst
ixpk= 87, nxpk= 25, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 386, 387, 383, 384,
&end
#
# 95 SER HN 94 THR HA 3.50 (# 88:25 Unique 2.31, 3.03 A)
&rst
ixpk= 88, nxpk= 25, iat=1483,1471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 THR HN 94 THR HA 3.50 (# 89:25 Unique 2.24, 2.84 A)
&rst
ixpk= 89, nxpk= 25, iat=1469,1471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 THR MG2 94 THR HA 3.50 (# 90:25 Unique 2.35, 3.00 A)
&rst
ixpk= 90, nxpk= 25, iat= -1,1471, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1475,1476,1477,
&end
#
# 66 THR HN 66 THR HA 4.50 (# 92:25 Unique 2.89, 2.90 A)
&rst
ixpk= 92, nxpk= 25, iat=1027,1029, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ALA HN 66 THR HA 3.50 (# 93:25 Unique 2.47, 2.51 A)
&rst
ixpk= 93, nxpk= 25, iat=1041,1029, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 ASN HN 66 THR HA 4.50 (# 94:25 Unique 3.10, 3.38 A)
&rst
ixpk= 94, nxpk= 25, iat= 961,1029, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ALA MB 66 THR HA 4.50 (# 95:25 Unique 4.71, 5.20 A)
&rst
ixpk= 95, nxpk= 25, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1045,1046,1047,
&end
#
# 0 AMB 25-2:96 66 THR HA 2.50 (# 96:25 Single Ambig)
&rst
ixpk= 96, nxpk= 25, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1033,1034,1035,1113,1114,1115,1117,1118,1119,1113,
1114,1115,1117,1118,1119,
&end
#
# 61 VAL HN 61 VAL HA 3.50 (# 97:25 Unique 2.91, 2.95 A)
&rst
ixpk= 97, nxpk= 25, iat= 945, 947, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 THR HA 61 VAL HA 3.50 (# 98:25 Unique 2.52, 2.60 A)
&rst
ixpk= 98, nxpk= 25, iat=1029, 947, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 ASN HN 61 VAL HA 2.50 (# 99:25 Unique 2.07, 2.18 A)
&rst
ixpk= 99, nxpk= 25, iat= 961, 947, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 61 VAL HB 61 VAL HA 3.50 (# 100:25 Unique 2.40, 2.42 A)
&rst
ixpk= 100, nxpk= 25, iat= 949, 947, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:101 61 VAL HA 2.50 (# 101:25 Single Ambig)
&rst
ixpk= 101, nxpk= 25, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
956, 957,
&end
#
# 57 ASN HN 56 ILE HA 2.50 (# 102:25 Unique 2.15, 2.20 A)
&rst
ixpk= 102, nxpk= 25, iat= 895, 878, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 56 ILE HG1+ 56 ILE HA 3.50 (# 103:25 Unique 2.53, 2.87 A)
&rst
ixpk= 103, nxpk= 25, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 886, 887,
&end
#
# 0 AMB 25-2:104 56 ILE HA 2.50 (# 104:25 Single Ambig)
&rst
ixpk= 104, nxpk= 25, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr1= 882, 883, 884,1328,1329,
&end
#
# 56 ILE HN 56 ILE HA 4.50 (# 105:25 Unique 2.94, 2.96 A)
&rst
ixpk= 105, nxpk= 25, iat= 876, 878, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 PHE HD 41 PHE HA 3.50 (# 106:25 Unique 2.42, 3.45 A)
&rst
ixpk= 106, nxpk= 25, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 659, 667,
&end
#
# 0 AMB 25-2:107 41 PHE HA 2.50 (# 107:25 Single Ambig)
&rst
ixpk= 107, nxpk= 25, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 671, 651,
&end
#
# 41 PHE HB+ 41 PHE HA 2.50 (# 108:25 Unique 2.44, 2.80 A)
&rst
ixpk= 108, nxpk= 25, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 655, 656,
&end
#
# 41 PHE HB- 41 PHE HA 3.50 (# 109:25 Unique 2.44, 2.80 A)
&rst
ixpk= 109, nxpk= 25, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 655, 656,
&end
#
# 0 AMB 25-2:110 41 PHE HA 2.50 (# 110:25 Single Ambig)
&rst
ixpk= 110, nxpk= 25, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
792, 793,
&end
#
# 75 TYR HN 74 GLU HA 4.50 (# 111:25 Unique 3.57, 3.58 A)
&rst
ixpk= 111, nxpk= 25, iat=1157,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 GLY HN 74 GLU HA 4.50 (# 112:25 Unique 3.17, 3.36 A)
&rst
ixpk= 112, nxpk= 25, iat=1197,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 GLU HN 74 GLU HA 3.50 (# 113:25 Unique 2.84, 2.91 A)
&rst
ixpk= 113, nxpk= 25, iat=1142,1144, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 GLU HG+ 74 GLU HA 3.50 (# 114:25 Unique 2.40, 2.94 A)
&rst
ixpk= 114, nxpk= 25, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1149,1150,
&end
#
# 0 AMB 25-2:115 74 GLU HA 3.50 (# 115:25 Single Ambig)
&rst
ixpk= 115, nxpk= 25, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1149,1150,1146,1147,
&end
#
# 0 AMB 25-2:116 74 GLU HA 5.50 (# 116:25 Single Ambig)
&rst
ixpk= 116, nxpk= 25, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1096,1097,1099,1100,
&end
#
# 0 AMB 25-2:117 11 SER HA 3.50 (# 117:25 Single Ambig)
&rst
ixpk= 117, nxpk= 25, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 172, 161,
&end
#
# 11 SER QB 11 SER HA 2.50 (# 118:25 Unique 2.33, 2.71 A)
&rst
ixpk= 118, nxpk= 25, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 165, 166,
&end
#
# 12 TYR HB+ 11 SER HA 5.50 (# 123:25 Unique 4.28, 5.41 A)
&rst
ixpk= 123, nxpk= 25, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 176, 177,
&end
#
# 0 AMB 25-2:124 73 LEU HA 3.50 (# 124:25 Single Ambig)
&rst
ixpk= 124, nxpk= 25, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1130,1182,1183,
&end
#
# 73 LEU HN 73 LEU HA 3.50 (# 125:25 Unique 2.77, 2.87 A)
&rst
ixpk= 125, nxpk= 25, iat=1123,1125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:126 73 LEU HA 3.50 (# 126:25 Single Ambig)
&rst
ixpk= 126, nxpk= 25, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1127,1128,1182,1183,
&end
#
# 73 LEU HB- 73 LEU HA 3.50 (# 127:25 Unique 2.46, 2.77 A)
&rst
ixpk= 127, nxpk= 25, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1127,1128,
&end
#
# 0 AMB 25-2:128 73 LEU HA 2.50 (# 128:25 Single Ambig)
&rst
ixpk= 128, nxpk= 25, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
1118,1119,1113,1114,1115,1117,1118,1119,
&end
#
# 96 ASN HN 95 SER HA 3.50 (# 129:25 Unique 2.20, 2.97 A)
&rst
ixpk= 129, nxpk= 25, iat=1494,1485, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 SER QB 95 SER HA 2.50 (# 130:25 Unique 2.38, 2.73 A)
&rst
ixpk= 130, nxpk= 25, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1487,1488,
&end
#
# 95 SER HN 95 SER HA 4.50 (# 131:25 Unique 2.22, 2.83 A)
&rst
ixpk= 131, nxpk= 25, iat=1483,1485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 GLU HN 71 GLU HA 3.50 (# 132:25 Unique 2.88, 2.91 A)
&rst
ixpk= 132, nxpk= 25, iat=1092,1094, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 VAL HN 71 GLU HA 2.50 (# 133:25 Unique 2.14, 2.18 A)
&rst
ixpk= 133, nxpk= 25, iat=1107,1094, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 65 TYR HA 71 GLU HA 3.50 (# 134:25 Unique 2.26, 2.40 A)
&rst
ixpk= 134, nxpk= 25, iat=1008,1094, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 GLU HG+ 71 GLU HA 3.50 (# 135:25 Unique 2.29, 2.80 A)
&rst
ixpk= 135, nxpk= 25, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1099,1100,
&end
#
# 71 GLU HB+ 71 GLU HA 3.50 (# 136:25 Unique 2.45, 2.78 A)
&rst
ixpk= 136, nxpk= 25, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1096,1097,
&end
#
# 0 AMB 25-2:137 71 GLU HA 4.50 (# 137:25 Single Ambig)
&rst
ixpk= 137, nxpk= 25, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1111,1074,1075,
&end
#
# 0 AMB 25-2:138 71 GLU HA 3.50 (# 138:25 Single Ambig)
&rst
ixpk= 138, nxpk= 25, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
1118,1119,1033,1034,1035, 512, 513, 514, 516, 517,
518,
&end
#
# 12 TYR HN 12 TYR HA 3.50 (# 139:25 Unique 2.21, 2.86 A)
&rst
ixpk= 139, nxpk= 25, iat= 172, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 TYR HB+ 12 TYR HA 2.50 (# 140:25 Unique 2.28, 2.50 A)
&rst
ixpk= 140, nxpk= 25, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 176, 177,
&end
#
# 13 ALA HN 12 TYR HA 3.50 (# 142:25 Unique 2.20, 2.87 A)
&rst
ixpk= 142, nxpk= 25, iat= 193, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 TYR HD 12 TYR HA 4.50 (# 143:25 Unique 2.68, 4.13 A)
&rst
ixpk= 143, nxpk= 25, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 180, 189,
&end
#
# 65 TYR HD 71 GLU HA 3.50 (# 144:25 Unique 2.10, 4.04 A)
&rst
ixpk= 144, nxpk= 25, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1014,1023,
&end
#
# 0 AMB 25-2:145 71 GLU HA 3.50 (# 145:25 Single Ambig)
&rst
ixpk= 145, nxpk= 25, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1099,1100,1096,1097,
&end
#
# 35 GLU HN 35 GLU HA 2.50 (# 147:25 Unique 2.19, 2.23 A)
&rst
ixpk= 147, nxpk= 25, iat= 551, 553, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 36 ARG HN 35 GLU HA 4.50 (# 148:25 Unique 2.81, 3.02 A)
&rst
ixpk= 148, nxpk= 25, iat= 566, 553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:149 35 GLU HA 3.50 (# 149:25 Single Ambig)
&rst
ixpk= 149, nxpk= 25, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 558, 559, 555, 556,
&end
#
# 32 LEU MDX 35 GLU HA 3.50 (# 150:25 Unique 2.21, 4.07 A)
&rst
ixpk= 150, nxpk= 25, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 25-2:151 35 GLU HA 3.50 (# 151:25 Single Ambig)
&rst
ixpk= 151, nxpk= 25, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 558, 559, 555, 556,
&end
#
# 52 ALA HN 51 HIS HA 3.50 (# 152:25 Unique 2.22, 2.36 A)
&rst
ixpk= 152, nxpk= 25, iat= 821, 806, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:153 82 TYR HA 3.50 (# 153:25 Single Ambig)
&rst
ixpk= 153, nxpk= 25, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1264,1273,1256,
&end
#
# 82 TYR HB- 82 TYR HA 3.50 (# 155:25 Unique 2.57, 2.85 A)
&rst
ixpk= 155, nxpk= 25, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1260,1261,
&end
#
# 84 VAL MGY 82 TYR HA 3.50 (# 156:25 Unique 3.40, 5.14 A)
&rst
ixpk= 156, nxpk= 25, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1297,1298,1299,1301,1302,1303,
&end
#
# 33 HIS HN 33 HIS HA 3.50 (# 157:25 Unique 2.88, 2.92 A)
&rst
ixpk= 157, nxpk= 25, iat= 522, 524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 ASP HN 33 HIS HA 2.50 (# 158:25 Unique 2.19, 2.27 A)
&rst
ixpk= 158, nxpk= 25, iat= 539, 524, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 33 HIS HB- 33 HIS HA 3.50 (# 159:25 Unique 2.38, 2.77 A)
&rst
ixpk= 159, nxpk= 25, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 526, 527,
&end
#
# 17 GLU HN 17 GLU HA 3.50 (# 161:25 Unique 2.20, 2.76 A)
&rst
ixpk= 161, nxpk= 25, iat= 251, 253, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 GLU QG 17 GLU HA 3.50 (# 162:25 Unique 2.28, 3.13 A)
&rst
ixpk= 162, nxpk= 25, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 258, 259,
&end
#
# 17 GLU HB+ 17 GLU HA 3.50 (# 164:25 Unique 2.34, 2.76 A)
&rst
ixpk= 164, nxpk= 25, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 255, 256,
&end
#
# 17 GLU HB- 17 GLU HA 3.50 (# 165:25 Unique 2.34, 2.76 A)
&rst
ixpk= 165, nxpk= 25, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 255, 256,
&end
#
# 8 HIS HN 7 HIS HA 2.50 (# 166:25 Unique 2.15, 2.38 A)
&rst
ixpk= 166, nxpk= 25, iat= 113, 98, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 25-2:167 0 AMB 25-1:167 4.50 (# 167:25 Double Ambig)
&rst
ixpk= 167, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1436,1437, 227, 228,
igr2=1428, 219,
&end
#
# 92 ARG HB+ 92 ARG HA 3.50 (# 168:25 Unique 2.25, 2.74 A)
&rst
ixpk= 168, nxpk= 25, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1430,1431,
&end
#
# 0 AMB 25-2:169 92 ARG HA 3.50 (# 169:25 Single Ambig)
&rst
ixpk= 169, nxpk= 25, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1450,1426,
&end
#
# 61 VAL HN 60 ASP HA 2.50 (# 174:25 Unique 2.21, 2.26 A)
&rst
ixpk= 174, nxpk= 25, iat= 945, 935, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 60 ASP HN 60 ASP HA 3.50 (# 175:25 Unique 2.80, 2.84 A)
&rst
ixpk= 175, nxpk= 25, iat= 933, 935, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 ASP HB+ 60 ASP HA 3.50 (# 176:25 Unique 2.38, 2.73 A)
&rst
ixpk= 176, nxpk= 25, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 937, 938,
&end
#
# 60 ASP HB- 60 ASP HA 3.50 (# 177:25 Unique 2.38, 2.73 A)
&rst
ixpk= 177, nxpk= 25, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 937, 938,
&end
#
# 0 AMB 25-2:180 0 AMB 25-1:180 2.50 (# 180:25 Double Ambig)
&rst
ixpk= 180, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 100, 101, 83, 84,
igr2= 98, 81,
&end
#
# 9 LEU HN 8 HIS HA 3.50 (# 182:25 Unique 2.23, 2.82 A)
&rst
ixpk= 182, nxpk= 25, iat= 130, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:184 0 AMB 25-1:184 2.50 (# 184:25 Double Ambig)
&rst
ixpk= 184, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 117, 118,1185,
igr2= 115,1180,
&end
#
# 34 ASP HN 34 ASP HA 2.50 (# 189:25 Unique 2.24, 2.26 A)
&rst
ixpk= 189, nxpk= 25, iat= 539, 541, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 25-2:190 0 AMB 25-1:190 3.50 (# 190:25 Double Ambig)
&rst
ixpk= 190, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 551, 982,
igr2= 541, 984,
&end
#
# 33 HIS HA 34 ASP HA 4.50 (# 191:25 Unique 4.36, 4.40 A)
&rst
ixpk= 191, nxpk= 25, iat= 524, 541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 ASP HB+ 34 ASP HA 3.50 (# 192:25 Unique 2.41, 2.74 A)
&rst
ixpk= 192, nxpk= 25, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 543, 544,
&end
#
# 0 AMB 25-2:193 34 ASP HA 3.50 (# 193:25 Single Ambig)
&rst
ixpk= 193, nxpk= 25, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 543, 544, 558, 559,
&end
#
# 0 AMB 25-2:194 34 ASP HA 4.50 (# 194:25 Single Ambig)
&rst
ixpk= 194, nxpk= 25, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 558, 559, 555, 556,
&end
#
# 25 PRO HA 24 TYR HA 3.50 (# 195:25 Unique 2.23, 2.61 A)
&rst
ixpk= 195, nxpk= 25, iat= 389, 360, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ALA MB 60 ASP HA 2.50 (# 196:25 Unique 2.22, 3.09 A)
&rst
ixpk= 196, nxpk= 25, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 870, 871, 872,
&end
#
# 0 AMB 25-2:198 0 AMB 25-1:198 2.50 (# 198:25 Double Ambig)
&rst
ixpk= 198, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=1395,1396, 134, 135,
igr2= 219, 132,
&end
#
# 35 GLU HA 0 AMB 25-1:200 5.50 (# 200:25 Single Ambig)
&rst
ixpk= 200, nxpk= 25, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 541, 984,
&end
#
# 64 ARG HB+ 64 ARG HA 2.50 (# 201:25 Unique 2.38, 2.49 A)
&rst
ixpk= 201, nxpk= 25, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 986, 987,
&end
#
# 64 ARG HB- 64 ARG HA 3.50 (# 202:25 Unique 2.38, 2.49 A)
&rst
ixpk= 202, nxpk= 25, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 986, 987,
&end
#
# 0 AMB 25-2:203 64 ARG HA 3.50 (# 203:25 Single Ambig)
&rst
ixpk= 203, nxpk= 25, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 596, 597, 598, 600, 601, 602, 596, 597, 598, 600,
601, 602,1113,1114,1115,1117,1118,1119,1113,1114,
1115,1117,1118,1119,
&end
#
# 0 AMB 25-2:204 54 LEU HA 2.50 (# 204:25 Single Ambig)
&rst
ixpk= 204, nxpk= 25, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 856, 857, 858, 860, 861, 862, 951, 952, 953, 955,
956, 957, 951, 952, 953, 955, 956, 957,
&end
#
# 94 THR HN 93 LEU HA 3.50 (# 205:25 Unique 2.15, 2.93 A)
&rst
ixpk= 205, nxpk= 25, iat=1469,1452, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 TYR HD 76 LEU HA 4.50 (# 206:25 Unique 3.30, 5.14 A)
&rst
ixpk= 206, nxpk= 25, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1165,1174,
&end
#
# 93 LEU QB 93 LEU HA 2.50 (# 207:25 Unique 2.31, 2.74 A)
&rst
ixpk= 207, nxpk= 25, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1454,1455,
&end
#
# 76 LEU MDX 76 LEU HA 3.50 (# 208:25 Unique 2.17, 3.84 A)
&rst
ixpk= 208, nxpk= 25, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1187,1188,1189,1191,1192,1193,
&end
#
# 0 AMB 25-2:210 76 LEU HA 3.50 (# 210:25 Single Ambig)
&rst
ixpk= 210, nxpk= 25, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1251,1252, 368, 373,
&end
#
# 10 ASP HN 9 LEU HA 2.50 (# 211:25 Unique 2.13, 2.32 A)
&rst
ixpk= 211, nxpk= 25, iat= 149, 132, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 25-2:212 0 AMB 25-1:212 3.50 (# 212:25 Double Ambig)
&rst
ixpk= 212, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 139, 140, 141, 143, 144, 145, 139, 140, 141, 143,
144, 145, 787, 788, 789, 791, 792, 793, 787, 788,
789, 791, 792, 793,
igr2= 132, 680,
&end
#
# 67 ALA HN 67 ALA HA 3.50 (# 213:25 Unique 2.82, 2.84 A)
&rst
ixpk= 213, nxpk= 25, iat=1041,1043, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 ASP HN 67 ALA HA 3.50 (# 214:25 Unique 3.56, 3.56 A)
&rst
ixpk= 214, nxpk= 25, iat=1051,1043, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 ALA MB 67 ALA HA 2.50 (# 215:25 Unique 2.46, 2.67 A)
&rst
ixpk= 215, nxpk= 25, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1045,1046,1047,
&end
#
# 96 ASN QB 96 ASN HA 3.50 (# 217:25 Unique 2.38, 2.73 A)
&rst
ixpk= 217, nxpk= 25, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1498,1499,
&end
#
# 71 GLU HN 70 LYS HA 2.50 (# 218:25 Unique 2.28, 2.32 A)
&rst
ixpk= 218, nxpk= 25, iat=1092,1072, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 70 LYS HN 70 LYS HA 3.50 (# 219:25 Unique 2.85, 2.90 A)
&rst
ixpk= 219, nxpk= 25, iat=1070,1072, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 GLY HN 70 LYS HA 5.50 (# 220:25 Unique 4.80, 4.85 A)
&rst
ixpk= 220, nxpk= 25, iat=1063,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:222 0 AMB 25-1:222 2.50 (# 222:25 Double Ambig)
&rst
ixpk= 222, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 462, 503,
igr2= 445, 483,
&end
#
# 30 LEU HA 0 AMB 25-1:223 4.50 (# 223:25 Single Ambig)
&rst
ixpk= 223, nxpk= 25, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 445, 483,
&end
#
# 0 AMB 25-2:224 0 AMB 25-1:224 2.50 (# 224:25 Double Ambig)
&rst
ixpk= 224, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1080,1081, 485, 486, 447, 448,
igr2=1072, 483, 445,
&end
#
# 73 LEU MDX 31 LYS HA 4.50 (# 225:25 Unique 2.60, 4.06 A)
&rst
ixpk= 225, nxpk= 25, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1132,1133,1134,1136,1137,1138,
&end
#
# 0 AMB 25-2:226 0 AMB 25-1:226 3.50 (# 226:25 Double Ambig)
&rst
ixpk= 226, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1392,1393,1074,1075, 447, 448,
igr2=1390,1072, 445,
&end
#
# 10 ASP HN 10 ASP HA 3.50 (# 228:25 Unique 2.24, 2.85 A)
&rst
ixpk= 228, nxpk= 25, iat= 149, 151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 SER HN 10 ASP HA 3.50 (# 229:25 Unique 2.18, 2.92 A)
&rst
ixpk= 229, nxpk= 25, iat= 161, 151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 ASP QB 10 ASP HA 2.50 (# 230:25 Unique 2.35, 2.74 A)
&rst
ixpk= 230, nxpk= 25, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 153, 154,
&end
#
# 90 ARG HN 90 ARG HA 3.50 (# 232:25 Unique 2.83, 2.90 A)
&rst
ixpk= 232, nxpk= 25, iat=1388,1390, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 ARG QD 90 ARG HA 4.50 (# 235:25 Unique 2.12, 3.03 A)
&rst
ixpk= 235, nxpk= 25, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1398,1399,
&end
#
# 58 GLY HN 57 ASN HA 3.50 (# 238:25 Unique 2.78, 2.90 A)
&rst
ixpk= 238, nxpk= 25, iat= 909, 897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:239 0 AMB 25-1:239 3.50 (# 239:25 Double Ambig)
&rst
ixpk= 239, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 566, 904, 905,
igr2= 568, 897,
&end
#
# 0 AMB 25-2:240 57 ASN HA 3.50 (# 240:25 Single Ambig)
&rst
ixpk= 240, nxpk= 25, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1311,1312,1311,1312,
&end
#
# 57 ASN HB+ 57 ASN HA 3.50 (# 241:25 Unique 2.24, 2.60 A)
&rst
ixpk= 241, nxpk= 25, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 899, 900,
&end
#
# 57 ASN HB- 57 ASN HA 3.50 (# 242:25 Unique 2.24, 2.60 A)
&rst
ixpk= 242, nxpk= 25, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 899, 900,
&end
#
# 36 ARG HB+ 36 ARG HA 3.50 (# 243:25 Unique 2.24, 2.80 A)
&rst
ixpk= 243, nxpk= 25, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 570, 571,
&end
#
# 0 AMB 25-2:244 36 ARG HA 3.50 (# 244:25 Single Ambig)
&rst
ixpk= 244, nxpk= 25, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 570, 571, 986, 987,
&end
#
# 0 AMB 25-2:245 0 AMB 25-1:245 3.50 (# 245:25 Double Ambig)
&rst
ixpk= 245, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 512, 513, 514, 516, 517, 518, 596, 597, 598, 600,
601, 602, 596, 597, 598, 600, 601, 602,1297,1298,
1299,1301,1302,1303, 510, 615, 616, 617, 619, 620,
621,
igr2= 568, 897,
&end
#
# 37 VAL HN 36 ARG HA 3.50 (# 246:25 Unique 2.21, 2.41 A)
&rst
ixpk= 246, nxpk= 25, iat= 590, 568, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 HIS HD2 90 ARG HA 4.50 (# 247:25 Unique 2.25, 3.43 A)
&rst
ixpk= 247, nxpk= 25, iat= 817,1390, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 ASN HN 57 ASN HA 2.50 (# 249:25 Unique 2.23, 2.25 A)
&rst
ixpk= 249, nxpk= 25, iat= 895, 897, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 80 ALA HN 80 ALA HA 3.50 (# 251:25 Unique 2.86, 2.88 A)
&rst
ixpk= 251, nxpk= 25, iat=1232,1234, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 ASN HN 80 ALA HA 3.50 (# 252:25 Unique 3.41, 3.44 A)
&rst
ixpk= 252, nxpk= 25, iat=1242,1234, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:253 80 ALA HA 4.50 (# 253:25 Single Ambig)
&rst
ixpk= 253, nxpk= 25, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1256,1264,1273,
&end
#
# 79 PRO HB+ 80 ALA HA 5.50 (# 254:25 Unique 4.46, 5.26 A)
&rst
ixpk= 254, nxpk= 25, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1225,1226,
&end
#
# 80 ALA MB 80 ALA HA 2.50 (# 255:25 Unique 2.43, 2.67 A)
&rst
ixpk= 255, nxpk= 25, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1236,1237,1238,
&end
#
# 81 ASN HN 81 ASN HA 3.50 (# 256:25 Unique 2.94, 2.97 A)
&rst
ixpk= 256, nxpk= 25, iat=1242,1244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:257 81 ASN HA 5.50 (# 257:25 Single Ambig)
&rst
ixpk= 257, nxpk= 25, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1251,1252,1167,1172,
&end
#
# 81 ASN HB+ 81 ASN HA 3.50 (# 258:25 Unique 2.25, 2.71 A)
&rst
ixpk= 258, nxpk= 25, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1246,1247,
&end
#
# 82 TYR HN 81 ASN HA 3.50 (# 259:25 Unique 2.71, 3.04 A)
&rst
ixpk= 259, nxpk= 25, iat=1256,1244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:261 68 ASP HA 3.50 (# 261:25 Single Ambig)
&rst
ixpk= 261, nxpk= 25, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1051,1063,
&end
#
# 68 ASP HB+ 68 ASP HA 3.50 (# 263:25 Unique 2.43, 2.74 A)
&rst
ixpk= 263, nxpk= 25, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1055,1056,
&end
#
# 68 ASP HB- 68 ASP HA 3.50 (# 264:25 Unique 2.43, 2.74 A)
&rst
ixpk= 264, nxpk= 25, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1055,1056,
&end
#
# 41 PHE HN 40 ALA HA 4.50 (# 265:25 Unique 3.56, 3.57 A)
&rst
ixpk= 265, nxpk= 25, iat= 651, 643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:267 16 ALA HA 3.50 (# 267:25 Single Ambig)
&rst
ixpk= 267, nxpk= 25, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 251, 241,
&end
#
# 0 AMB 25-2:268 16 ALA HA 4.50 (# 268:25 Single Ambig)
&rst
ixpk= 268, nxpk= 25, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 255, 256, 221, 222, 210, 211,
&end
#
# 16 ALA MB 16 ALA HA 2.50 (# 269:25 Unique 2.37, 2.67 A)
&rst
ixpk= 269, nxpk= 25, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 245, 246, 247,
&end
#
# 40 ALA HN 40 ALA HA 4.50 (# 271:25 Unique 2.88, 2.95 A)
&rst
ixpk= 271, nxpk= 25, iat= 641, 643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:272 40 ALA HA 2.50 (# 272:25 Single Ambig)
&rst
ixpk= 272, nxpk= 25, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr1= 645, 646, 647, 488, 489,
&end
#
# 0 AMB 25-2:273 40 ALA HA 3.50 (# 273:25 Single Ambig)
&rst
ixpk= 273, nxpk= 25, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
792, 793,
&end
#
# 80 ALA HN 79 PRO HD+ 4.50 (# 276:25 Unique 2.86, 3.52 A)
&rst
ixpk= 276, nxpk= 25, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1219,1220,
&end
#
# 78 ASN HA 79 PRO HD+ 2.50 (# 277:25 Unique 2.20, 2.40 A)
&rst
ixpk= 277, nxpk= 25, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2=1219,1220,
&end
#
# 79 PRO HG+ 79 PRO HD+ 3.50 (# 279:25 Unique 2.33, 2.61 A)
&rst
ixpk= 279, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1222,1223,
igr2=1219,1220,
&end
#
# 79 PRO HG- 79 PRO HD+ 3.50 (# 280:25 Unique 2.33, 2.61 A)
&rst
ixpk= 280, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1222,1223,
igr2=1219,1220,
&end
#
# 79 PRO HB+ 79 PRO HD+ 4.50 (# 281:25 Unique 2.84, 3.69 A)
&rst
ixpk= 281, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1225,1226,
igr2=1219,1220,
&end
#
# 78 ASN HA 79 PRO HD- 2.50 (# 284:25 Unique 2.20, 2.40 A)
&rst
ixpk= 284, nxpk= 25, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2=1219,1220,
&end
#
# 0 AMB 25-2:286 83 PRO HD- 3.50 (# 286:25 Single Ambig)
&rst
ixpk= 286, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1281,1282,1284,1285,
igr2=1278,1279,
&end
#
# 0 AMB 25-2:287 0 AMB 25-1:287 3.50 (# 287:25 Double Ambig)
&rst
ixpk= 287, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1281,1282,1284,1285,
igr2=1278,1279,1278,1279,
&end
#
# 14 PRO QG 14 PRO HD+ 2.50 (# 289:25 Unique 2.29, 2.61 A)
&rst
ixpk= 289, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 207, 208,
igr2= 204, 205,
&end
#
# 13 ALA HN 13 ALA HA 3.50 (# 291:25 Unique 2.21, 2.87 A)
&rst
ixpk= 291, nxpk= 25, iat= 193, 195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:292 13 ALA HA 3.50 (# 292:25 Single Ambig)
&rst
ixpk= 292, nxpk= 25, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 204, 205, 204, 205,
&end
#
# 13 ALA MB 13 ALA HA 2.50 (# 294:25 Unique 2.42, 2.67 A)
&rst
ixpk= 294, nxpk= 25, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 197, 198, 199,
&end
#
# 0 AMB 25-2:295 83 PRO HD- 3.50 (# 295:25 Single Ambig)
&rst
ixpk= 295, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1281,1282,1284,1285,
igr2=1278,1279,
&end
#
# 14 PRO HA 14 PRO HD+ 4.50 (# 297:25 Unique 3.36, 3.75 A)
&rst
ixpk= 297, nxpk= 25, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 204, 205,
&end
#
# 14 PRO HB+ 14 PRO HD+ 4.50 (# 298:25 Unique 2.79, 3.69 A)
&rst
ixpk= 298, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 210, 211,
igr2= 204, 205,
&end
#
# 0 AMB 25-2:301 0 AMB 25-1:301 4.50 (# 301:25 Double Ambig)
&rst
ixpk= 301, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1422, 213,
igr2=1413,1414, 204, 205,
&end
#
# 14 PRO HB+ 14 PRO HD- 4.50 (# 302:25 Unique 2.79, 3.69 A)
&rst
ixpk= 302, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 210, 211,
igr2= 204, 205,
&end
#
# 0 AMB 25-2:303 0 AMB 25-1:303 2.50 (# 303:25 Double Ambig)
&rst
ixpk= 303, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 207, 208,1416,1417,
igr2= 204, 205,1413,1414,
&end
#
# 13 ALA MB 14 PRO HD- 3.50 (# 304:25 Unique 2.15, 3.78 A)
&rst
ixpk= 304, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 197, 198, 199,
igr2= 204, 205,
&end
#
# 0 AMB 25-2:305 0 AMB 25-1:305 2.50 (# 305:25 Double Ambig)
&rst
ixpk= 305, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 383, 384, 386, 387,
igr2= 380, 381, 380, 381,
&end
#
# 0 AMB 25-2:308 25 PRO HD- 2.50 (# 308:25 Single Ambig)
&rst
ixpk= 308, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 383, 384, 386, 387,
igr2= 380, 381,
&end
#
# 64 ARG HN 63 GLY HA+ 3.50 (# 309:25 Unique 2.20, 2.98 A)
&rst
ixpk= 309, nxpk= 25, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 977, 978,
&end
#
# 63 GLY HN 63 GLY HA- 3.50 (# 311:25 Unique 2.24, 2.55 A)
&rst
ixpk= 311, nxpk= 25, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 977, 978,
&end
#
# 69 GLY HN 69 GLY HA+ 2.50 (# 315:25 Unique 2.43, 2.73 A)
&rst
ixpk= 315, nxpk= 25, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2=1065,1066,
&end
#
# 69 GLY HN 69 GLY HA- 3.50 (# 317:25 Unique 2.43, 2.73 A)
&rst
ixpk= 317, nxpk= 25, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1065,1066,
&end
#
# 70 LYS HN 69 GLY HA- 4.50 (# 318:25 Unique 3.21, 3.36 A)
&rst
ixpk= 318, nxpk= 25, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1065,1066,
&end
#
# 38 LEU HN 38 LEU HB+ 3.50 (# 320:25 Unique 2.36, 3.13 A)
&rst
ixpk= 320, nxpk= 25, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 610, 611,
&end
#
# 0 AMB 25-2:322 0 AMB 25-1:322 2.50 (# 322:25 Double Ambig)
&rst
ixpk= 322, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
620, 621,
igr2= 610, 611, 610, 611,
&end
#
# 0 AMB 25-2:323 38 LEU HB- 3.50 (# 323:25 Single Ambig)
&rst
ixpk= 323, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 606, 625,
igr2= 610, 611,
&end
#
# 0 AMB 25-2:325 38 LEU HB- 2.50 (# 325:25 Single Ambig)
&rst
ixpk= 325, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
620, 621,
igr2= 610, 611,
&end
#
# 0 AMB 25-2:326 89 GLY QA 3.50 (# 326:25 Single Ambig)
&rst
ixpk= 326, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1388,1381,
igr2=1383,1384,
&end
#
# 54 LEU MDY 89 GLY QA 3.50 (# 327:25 Unique 2.23, 4.76 A)
&rst
ixpk= 327, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 856, 857, 858, 860, 861, 862,
igr2=1383,1384,
&end
#
# 77 GLY HN 77 GLY HA+ 3.50 (# 328:25 Unique 2.26, 2.55 A)
&rst
ixpk= 328, nxpk= 25, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1199,1200,
&end
#
# 58 GLY HN 58 GLY HA+ 2.50 (# 331:25 Unique 2.29, 2.64 A)
&rst
ixpk= 331, nxpk= 25, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 911, 912,
&end
#
# 59 MET HN 58 GLY HA+ 4.50 (# 332:25 Unique 3.16, 3.36 A)
&rst
ixpk= 332, nxpk= 25, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 911, 912,
&end
#
# 58 GLY HN 58 GLY HA- 3.50 (# 335:25 Unique 2.29, 2.64 A)
&rst
ixpk= 335, nxpk= 25, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 911, 912,
&end
#
# 2 GLY HN 2 GLY HA- 4.50 (# 339:25 Unique 2.28, 2.78 A)
&rst
ixpk= 339, nxpk= 25, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 23, 24,
&end
#
# 77 GLY HN 77 GLY HA- 3.50 (# 340:25 Unique 2.26, 2.55 A)
&rst
ixpk= 340, nxpk= 25, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1199,1200,
&end
#
# 78 ASN HN 77 GLY HA- 4.50 (# 341:25 Unique 2.87, 3.27 A)
&rst
ixpk= 341, nxpk= 25, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1199,1200,
&end
#
# 0 AMB 25-2:343 0 AMB 25-1:343 3.50 (# 343:25 Double Ambig)
&rst
ixpk= 343, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 615, 616, 617, 619, 620, 621, 787, 788, 789, 791,
792, 793,
igr2= 799, 800, 799, 800,
&end
#
# 50 GLY HN 50 GLY HA+ 3.50 (# 344:25 Unique 2.27, 2.61 A)
&rst
ixpk= 344, nxpk= 25, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 799, 800,
&end
#
# 0 AMB 25-2:347 50 GLY HA- 3.50 (# 347:25 Single Ambig)
&rst
ixpk= 347, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 615, 616, 617, 619, 620, 621, 787, 788, 789, 791,
792, 793,
igr2= 799, 800,
&end
#
# 50 GLY HN 50 GLY HA- 3.50 (# 348:25 Unique 2.27, 2.61 A)
&rst
ixpk= 348, nxpk= 25, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 799, 800,
&end
#
# 64 ARG HB+ 64 ARG QD 2.50 (# 354:25 Unique 2.19, 3.14 A)
&rst
ixpk= 354, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 986, 987,
igr2= 992, 993,
&end
#
# 64 ARG HE 64 ARG QD 3.50 (# 355:25 Unique 2.33, 2.81 A)
&rst
ixpk= 355, nxpk= 25, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 992, 993,
&end
#
# 65 TYR HE 64 ARG QD 4.50 (# 356:25 Unique 2.57, 4.68 A)
&rst
ixpk= 356, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1016,1021,
igr2= 992, 993,
&end
#
# 71 GLU HG- 64 ARG QD 5.50 (# 357:25 Unique 2.48, 5.85 A)
&rst
ixpk= 357, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1099,1100,
igr2= 992, 993,
&end
#
# 0 AMB 25-2:358 64 ARG QD 2.50 (# 358:25 Single Ambig)
&rst
ixpk= 358, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 986, 987, 989, 990,
igr2= 992, 993,
&end
#
# 0 AMB 25-2:359 64 ARG QD 3.50 (# 359:25 Single Ambig)
&rst
ixpk= 359, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
517, 518, 510,
igr2= 992, 993,
&end
#
# 88 PHE HD 88 PHE HB- 4.50 (# 360:25 Unique 2.29, 3.08 A)
&rst
ixpk= 360, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1369,1377,
igr2=1365,1366,
&end
#
# 0 AMB 25-2:361 0 AMB 25-1:361 4.50 (# 361:25 Double Ambig)
&rst
ixpk= 361, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 837, 838, 839, 841, 842, 843, 631, 632, 633, 635,
636, 637,
igr2=1365,1366,1365,1366,
&end
#
# 88 PHE HD 88 PHE HB+ 3.50 (# 362:25 Unique 2.29, 3.08 A)
&rst
ixpk= 362, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1369,1377,
igr2=1365,1366,
&end
#
# 51 HIS HD2 88 PHE HB+ 5.50 (# 363:25 Unique 3.00, 5.23 A)
&rst
ixpk= 363, nxpk= 25, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1365,1366,
&end
#
# 0 AMB 25-2:367 30 LEU HB- 3.50 (# 367:25 Single Ambig)
&rst
ixpk= 367, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 596, 597, 598, 600, 601, 602,1132,1133,1134,1136,
1137,1138,
igr2= 466, 467,
&end
#
# 90 ARG HN 90 ARG QD 4.50 (# 368:25 Unique 2.00, 3.76 A)
&rst
ixpk= 368, nxpk= 25, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1398,1399,
&end
#
# 0 AMB 25-2:369 36 ARG HD- 5.50 (# 369:25 Single Ambig)
&rst
ixpk= 369, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 975, 551,
igr2= 576, 577,
&end
#
# 0 AMB 25-2:370 0 AMB 25-1:370 4.50 (# 370:25 Double Ambig)
&rst
ixpk= 370, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 241, 217,1426,
igr2=1398,1399, 227, 228, 576, 577,
&end
#
# 36 ARG HN 36 ARG HD- 4.50 (# 371:25 Unique 3.10, 4.60 A)
&rst
ixpk= 371, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 576, 577,
&end
#
# 51 HIS HD2 90 ARG QD 3.50 (# 373:25 Unique 2.31, 3.79 A)
&rst
ixpk= 373, nxpk= 25, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1398,1399,
&end
#
# 36 ARG HA 36 ARG HD- 4.50 (# 376:25 Unique 2.12, 3.32 A)
&rst
ixpk= 376, nxpk= 25, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 576, 577,
&end
#
# 0 AMB 25-2:377 0 AMB 25-1:377 3.50 (# 377:25 Double Ambig)
&rst
ixpk= 377, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1428, 219, 243,
igr2=1436,1437, 227, 228,1398,1399,
&end
#
# 63 GLY HA- 36 ARG HD- 4.50 (# 379:25 Unique 2.10, 3.71 A)
&rst
ixpk= 379, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 977, 978,
igr2= 576, 577,
&end
#
# 0 AMB 25-2:382 0 AMB 25-1:382 2.50 (# 382:25 Double Ambig)
&rst
ixpk= 382, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1395,1396, 570, 571,1392,1393,
igr2=1398,1399, 576, 577,
&end
#
# 54 LEU HA 54 LEU HB+ 3.50 (# 390:25 Unique 2.45, 2.80 A)
&rst
ixpk= 390, nxpk= 25, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 851, 852,
&end
#
# 54 LEU MDY 54 LEU HB- 3.50 (# 391:25 Unique 2.38, 3.37 A)
&rst
ixpk= 391, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 856, 857, 858, 860, 861, 862,
igr2= 851, 852,
&end
#
# 32 LEU HA 32 LEU HB- 3.50 (# 397:25 Unique 2.37, 2.75 A)
&rst
ixpk= 397, nxpk= 25, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 507, 508,
&end
#
# 0 AMB 25-2:398 32 LEU HB- 2.50 (# 398:25 Single Ambig)
&rst
ixpk= 398, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1132,1133,1134,1136,1137,1138, 512, 513, 514, 516,
517, 518, 512, 513, 514, 516, 517, 518, 510, 596,
597, 598, 600, 601, 602,
igr2= 507, 508,
&end
#
# 22 PHE HD 22 PHE HB- 5.50 (# 401:25 Unique 2.28, 3.08 A)
&rst
ixpk= 401, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 335, 343,
igr2= 331, 332,
&end
#
# 0 AMB 25-2:403 22 PHE HB- 4.50 (# 403:25 Single Ambig)
&rst
ixpk= 403, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1297,1298,1299,1301,1302,1303,1331,1332,1333,
igr2= 331, 332,
&end
#
# 41 PHE HB- 29 LEU HB+ 3.50 (# 404:25 Unique 2.18, 3.32 A)
&rst
ixpk= 404, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 655, 656,
igr2= 447, 448,
&end
#
# 30 LEU HN 29 LEU HB+ 4.50 (# 405:25 Unique 2.41, 3.74 A)
&rst
ixpk= 405, nxpk= 25, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 447, 448,
&end
#
# 29 LEU HA 29 LEU HB+ 3.50 (# 406:25 Unique 2.52, 2.80 A)
&rst
ixpk= 406, nxpk= 25, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 447, 448,
&end
#
# 40 ALA MB 29 LEU HB+ 3.50 (# 408:25 Unique 2.34, 4.36 A)
&rst
ixpk= 408, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 645, 646, 647,
igr2= 447, 448,
&end
#
# 0 AMB 25-2:410 0 AMB 25-1:410 2.50 (# 410:25 Double Ambig)
&rst
ixpk= 410, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 503, 462,
igr2= 507, 508, 447, 448,
&end
#
# 32 LEU HA 32 LEU HB+ 3.50 (# 411:25 Unique 2.37, 2.75 A)
&rst
ixpk= 411, nxpk= 25, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 507, 508,
&end
#
# 41 PHE HN 29 LEU HB- 4.50 (# 413:25 Unique 2.17, 3.36 A)
&rst
ixpk= 413, nxpk= 25, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 447, 448,
&end
#
# 29 LEU HA 29 LEU HB- 3.50 (# 414:25 Unique 2.52, 2.80 A)
&rst
ixpk= 414, nxpk= 25, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 447, 448,
&end
#
# 41 PHE HB- 29 LEU HB- 3.50 (# 415:25 Unique 2.18, 3.32 A)
&rst
ixpk= 415, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 655, 656,
igr2= 447, 448,
&end
#
# 32 LEU HN 32 LEU HB- 3.50 (# 416:25 Unique 2.24, 2.63 A)
&rst
ixpk= 416, nxpk= 25, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 507, 508,
&end
#
# 0 AMB 25-2:418 0 AMB 25-1:418 3.50 (# 418:25 Double Ambig)
&rst
ixpk= 418, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 671, 651,
igr2= 655, 656, 655, 656,
&end
#
# 0 AMB 25-2:420 70 LYS QE 4.50 (# 420:25 Single Ambig)
&rst
ixpk= 420, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1070,1251,1252,
igr2=1083,1084,
&end
#
# 86 ILE HG1- 22 PHE HB- 4.50 (# 423:25 Unique 2.60, 4.59 A)
&rst
ixpk= 423, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1328,1329,
igr2= 331, 332,
&end
#
# 0 AMB 25-2:424 41 PHE HB- 3.50 (# 424:25 Single Ambig)
&rst
ixpk= 424, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 671, 651,
igr2= 655, 656,
&end
#
# 41 PHE HD 41 PHE HB- 3.50 (# 425:25 Unique 2.35, 3.09 A)
&rst
ixpk= 425, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 659, 667,
igr2= 655, 656,
&end
#
# 41 PHE HA 41 PHE HB- 4.50 (# 426:25 Unique 2.44, 2.80 A)
&rst
ixpk= 426, nxpk= 25, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 655, 656,
&end
#
# 41 PHE HB+ 29 LEU HB- 5.50 (# 428:25 Unique 2.18, 3.32 A)
&rst
ixpk= 428, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 655, 656,
igr2= 447, 448,
&end
#
# 93 LEU HN 93 LEU QB 3.50 (# 429:25 Unique 2.29, 2.92 A)
&rst
ixpk= 429, nxpk= 25, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1454,1455,
&end
#
# 66 THR HN 65 TYR HB+ 4.50 (# 431:25 Unique 2.68, 3.35 A)
&rst
ixpk= 431, nxpk= 25, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1010,1011,
&end
#
# 65 TYR HD 65 TYR HB+ 3.50 (# 432:25 Unique 2.34, 3.09 A)
&rst
ixpk= 432, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1014,1023,
igr2=1010,1011,
&end
#
# 65 TYR HN 65 TYR HB+ 3.50 (# 433:25 Unique 2.59, 3.23 A)
&rst
ixpk= 433, nxpk= 25, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1010,1011,
&end
#
# 65 TYR HA 65 TYR HB+ 3.50 (# 434:25 Unique 2.37, 2.72 A)
&rst
ixpk= 434, nxpk= 25, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1010,1011,
&end
#
# 75 TYR HD 70 LYS QE 4.50 (# 435:25 Unique 2.86, 6.28 A)
&rst
ixpk= 435, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1165,1174,
igr2=1083,1084,
&end
#
# 0 AMB 25-2:436 70 LYS QE 5.50 (# 436:25 Single Ambig)
&rst
ixpk= 436, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1167,1172,1251,1252,
igr2=1083,1084,
&end
#
# 70 LYS HA 70 LYS QE 4.50 (# 437:25 Unique 2.51, 4.40 A)
&rst
ixpk= 437, nxpk= 25, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1083,1084,
&end
#
# 70 LYS HB- 70 LYS QE 5.50 (# 438:25 Unique 2.11, 4.27 A)
&rst
ixpk= 438, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1074,1075,
igr2=1083,1084,
&end
#
# 70 LYS QD 70 LYS QE 2.50 (# 439:25 Unique 2.32, 2.72 A)
&rst
ixpk= 439, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1080,1081,
igr2=1083,1084,
&end
#
# 70 LYS QG 70 LYS QE 2.50 (# 440:25 Unique 2.40, 3.07 A)
&rst
ixpk= 440, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1077,1078,
igr2=1083,1084,
&end
#
# 65 TYR HN 65 TYR HB- 3.50 (# 441:25 Unique 2.59, 3.23 A)
&rst
ixpk= 441, nxpk= 25, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1010,1011,
&end
#
# 65 TYR HA 65 TYR HB- 3.50 (# 442:25 Unique 2.37, 2.72 A)
&rst
ixpk= 442, nxpk= 25, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1010,1011,
&end
#
# 38 LEU MDX 31 LYS QE 2.50 (# 443:25 Unique 2.16, 4.78 A)
&rst
ixpk= 443, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 615, 616, 617, 619, 620, 621,
igr2= 494, 495,
&end
#
# 37 VAL HA 31 LYS QE 5.50 (# 444:25 Unique 5.47, 6.14 A)
&rst
ixpk= 444, nxpk= 25, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 494, 495,
&end
#
# 0 AMB 25-2:445 41 PHE HB- 3.50 (# 445:25 Single Ambig)
&rst
ixpk= 445, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
792, 793,
igr2= 655, 656,
&end
#
# 94 THR HN 93 LEU QB 3.50 (# 452:25 Unique 2.05, 3.35 A)
&rst
ixpk= 452, nxpk= 25, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1454,1455,
&end
#
# 9 LEU HN 9 LEU QB 2.50 (# 453:25 Unique 2.36, 2.75 A)
&rst
ixpk= 453, nxpk= 25, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 134, 135,
&end
#
# 9 LEU HA 9 LEU QB 2.50 (# 454:25 Unique 2.44, 2.77 A)
&rst
ixpk= 454, nxpk= 25, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 134, 135,
&end
#
# 65 TYR HD 65 TYR HB- 3.50 (# 456:25 Unique 2.34, 3.09 A)
&rst
ixpk= 456, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1014,1023,
igr2=1010,1011,
&end
#
# 0 AMB 25-2:457 31 LYS QE 4.50 (# 457:25 Single Ambig)
&rst
ixpk= 457, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 524, 483,
igr2= 494, 495,
&end
#
# 0 AMB 25-2:458 31 LYS QE 2.50 (# 458:25 Single Ambig)
&rst
ixpk= 458, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 610, 611, 488, 489,
igr2= 494, 495,
&end
#
# 40 ALA HA 31 LYS QE 4.50 (# 460:25 Unique 3.14, 4.60 A)
&rst
ixpk= 460, nxpk= 25, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 494, 495,
&end
#
# 0 AMB 25-2:461 31 LYS QE 2.50 (# 461:25 Single Ambig)
&rst
ixpk= 461, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 610, 611, 491, 492,
igr2= 494, 495,
&end
#
# 10 ASP HN 10 ASP QB 2.50 (# 464:25 Unique 2.23, 2.71 A)
&rst
ixpk= 464, nxpk= 25, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 153, 154,
&end
#
# 0 AMB 25-2:465 10 ASP QB 4.50 (# 465:25 Single Ambig)
&rst
ixpk= 465, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 161, 172,
igr2= 153, 154,
&end
#
# 10 ASP HA 10 ASP QB 2.50 (# 466:25 Unique 2.35, 2.74 A)
&rst
ixpk= 466, nxpk= 25, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 153, 154,
&end
#
# 76 LEU HN 76 LEU HB+ 3.50 (# 467:25 Unique 2.29, 2.96 A)
&rst
ixpk= 467, nxpk= 25, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1182,1183,
&end
#
# 0 AMB 25-2:469 76 LEU HB- 2.50 (# 469:25 Single Ambig)
&rst
ixpk= 469, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1187,1188,1189,1191,1192,1193,1132,1133,1134,1136,
1137,1138,
igr2=1182,1183,
&end
#
# 76 LEU HN 76 LEU HB- 4.50 (# 470:25 Unique 2.29, 2.96 A)
&rst
ixpk= 470, nxpk= 25, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1182,1183,
&end
#
# 76 LEU HA 76 LEU HB- 4.50 (# 471:25 Unique 2.53, 2.80 A)
&rst
ixpk= 471, nxpk= 25, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1182,1183,
&end
#
# 0 AMB 25-2:473 0 AMB 25-1:473 2.50 (# 473:25 Double Ambig)
&rst
ixpk= 473, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1187,1188,1189,1191,1192,1193,1132,1133,1134,1136,
1137,1138,
igr2=1182,1183,1182,1183,
&end
#
# 56 ILE HN 56 ILE HB 3.50 (# 474:25 Unique 2.75, 2.83 A)
&rst
ixpk= 474, nxpk= 25, iat= 876, 880, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 ILE HA 56 ILE HB 4.50 (# 475:25 Unique 3.05, 3.05 A)
&rst
ixpk= 475, nxpk= 25, iat= 878, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 ILE HG1+ 56 ILE HB 3.50 (# 476:25 Unique 2.48, 2.79 A)
&rst
ixpk= 476, nxpk= 25, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 886, 887,
&end
#
# 0 AMB 25-2:477 56 ILE HB 2.50 (# 477:25 Single Ambig)
&rst
ixpk= 477, nxpk= 25, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 882, 883, 884, 951, 952, 953, 955, 956, 957, 951,
952, 953, 955, 956, 957,
&end
#
# 60 ASP HN 60 ASP HB+ 3.50 (# 478:25 Unique 2.27, 2.47 A)
&rst
ixpk= 478, nxpk= 25, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 937, 938,
&end
#
# 61 VAL HN 60 ASP HB+ 4.50 (# 479:25 Unique 4.11, 4.31 A)
&rst
ixpk= 479, nxpk= 25, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 937, 938,
&end
#
# 60 ASP HN 60 ASP HB- 3.50 (# 480:25 Unique 2.27, 2.47 A)
&rst
ixpk= 480, nxpk= 25, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 937, 938,
&end
#
# 61 VAL HN 60 ASP HB- 4.50 (# 481:25 Unique 4.11, 4.31 A)
&rst
ixpk= 481, nxpk= 25, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 937, 938,
&end
#
# 67 ALA MB 60 ASP HB+ 4.50 (# 484:25 Unique 3.59, 5.80 A)
&rst
ixpk= 484, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1045,1046,1047,
igr2= 937, 938,
&end
#
# 73 LEU HN 73 LEU HB+ 3.50 (# 485:25 Unique 2.35, 3.06 A)
&rst
ixpk= 485, nxpk= 25, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1127,1128,
&end
#
# 73 LEU HA 73 LEU HB+ 3.50 (# 486:25 Unique 2.46, 2.77 A)
&rst
ixpk= 486, nxpk= 25, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1127,1128,
&end
#
# 73 LEU MDX 73 LEU HB+ 2.50 (# 488:25 Unique 2.42, 3.35 A)
&rst
ixpk= 488, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1132,1133,1134,1136,1137,1138,
igr2=1127,1128,
&end
#
# 73 LEU HN 73 LEU HB- 4.50 (# 489:25 Unique 2.35, 3.06 A)
&rst
ixpk= 489, nxpk= 25, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1127,1128,
&end
#
# 73 LEU HA 73 LEU HB- 3.50 (# 490:25 Unique 2.46, 2.77 A)
&rst
ixpk= 490, nxpk= 25, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1127,1128,
&end
#
# 73 LEU HG 73 LEU HB- 3.50 (# 492:25 Unique 2.34, 2.75 A)
&rst
ixpk= 492, nxpk= 25, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1127,1128,
&end
#
# 73 LEU MDX 73 LEU HB- 2.50 (# 493:25 Unique 2.42, 3.35 A)
&rst
ixpk= 493, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1132,1133,1134,1136,1137,1138,
igr2=1127,1128,
&end
#
# 81 ASN HD2+ 78 ASN HB+ 3.50 (# 496:25 Unique 2.35, 4.57 A)
&rst
ixpk= 496, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1251,1252,
igr2=1208,1209,
&end
#
# 81 ASN HD2- 78 ASN HB+ 3.50 (# 497:25 Unique 2.35, 4.57 A)
&rst
ixpk= 497, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1251,1252,
igr2=1208,1209,
&end
#
# 78 ASN HA 78 ASN HB+ 3.50 (# 498:25 Unique 2.42, 2.74 A)
&rst
ixpk= 498, nxpk= 25, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1208,1209,
&end
#
# 78 ASN HD2+ 78 ASN HB+ 3.50 (# 499:25 Unique 2.22, 3.15 A)
&rst
ixpk= 499, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1213,1214,
igr2=1208,1209,
&end
#
# 0 AMB 25-2:500 0 AMB 25-1:500 3.50 (# 500:25 Double Ambig)
&rst
ixpk= 500, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1213,1214,1204,
igr2=1208,1209,1208,1209,
&end
#
# 68 ASP HN 68 ASP HB+ 4.50 (# 502:25 Unique 2.40, 2.54 A)
&rst
ixpk= 502, nxpk= 25, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1055,1056,
&end
#
# 68 ASP HA 68 ASP HB+ 3.50 (# 503:25 Unique 2.43, 2.74 A)
&rst
ixpk= 503, nxpk= 25, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1055,1056,
&end
#
# 81 ASN HD2- 78 ASN HB- 3.50 (# 509:25 Unique 2.35, 4.57 A)
&rst
ixpk= 509, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1251,1252,
igr2=1208,1209,
&end
#
# 68 ASP HN 68 ASP HB- 3.50 (# 512:25 Unique 2.40, 2.54 A)
&rst
ixpk= 512, nxpk= 25, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1055,1056,
&end
#
# 68 ASP HA 68 ASP HB- 3.50 (# 513:25 Unique 2.43, 2.74 A)
&rst
ixpk= 513, nxpk= 25, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1055,1056,
&end
#
# 75 TYR HD 75 TYR HB+ 4.50 (# 514:25 Unique 2.35, 3.08 A)
&rst
ixpk= 514, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1165,1174,
igr2=1161,1162,
&end
#
# 75 TYR HN 75 TYR HB+ 3.50 (# 515:25 Unique 2.30, 2.47 A)
&rst
ixpk= 515, nxpk= 25, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1161,1162,
&end
#
# 75 TYR HA 75 TYR HB- 3.50 (# 521:25 Unique 2.46, 2.78 A)
&rst
ixpk= 521, nxpk= 25, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1161,1162,
&end
#
# 70 LYS HB+ 75 TYR HB- 4.50 (# 522:25 Unique 2.26, 3.39 A)
&rst
ixpk= 522, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1074,1075,
igr2=1161,1162,
&end
#
# 75 TYR HN 75 TYR HB- 3.50 (# 523:25 Unique 2.30, 2.47 A)
&rst
ixpk= 523, nxpk= 25, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1161,1162,
&end
#
# 76 LEU HN 75 TYR HB- 4.50 (# 524:25 Unique 2.36, 3.12 A)
&rst
ixpk= 524, nxpk= 25, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1161,1162,
&end
#
# 75 TYR HD 75 TYR HB- 3.50 (# 526:25 Unique 2.35, 3.08 A)
&rst
ixpk= 526, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1165,1174,
igr2=1161,1162,
&end
#
# 0 AMB 25-2:527 75 TYR HB- 3.50 (# 527:25 Single Ambig)
&rst
ixpk= 527, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1033,1034,1035,1113,1114,1115,1117,1118,1119,1113,
1114,1115,1117,1118,1119,
igr2=1161,1162,
&end
#
# 0 AMB 25-2:530 0 AMB 25-1:530 4.50 (# 530:25 Double Ambig)
&rst
ixpk= 530, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 551, 975,
igr2= 543, 544, 965, 966,
&end
#
# 0 AMB 25-2:532 0 AMB 25-1:532 3.50 (# 532:25 Double Ambig)
&rst
ixpk= 532, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 541,1043,
igr2= 543, 544, 965, 966,
&end
#
# 62 ASN HN 62 ASN HB+ 3.50 (# 533:25 Unique 2.35, 2.65 A)
&rst
ixpk= 533, nxpk= 25, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 965, 966,
&end
#
# 62 ASN HD2+ 62 ASN HB+ 3.50 (# 534:25 Unique 2.28, 3.18 A)
&rst
ixpk= 534, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 970, 971,
igr2= 965, 966,
&end
#
# 0 AMB 25-2:535 0 AMB 25-1:535 4.50 (# 535:25 Double Ambig)
&rst
ixpk= 535, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 970, 971,1014,1023,
igr2= 965, 966, 965, 966,
&end
#
# 62 ASN HA 62 ASN HB+ 3.50 (# 536:25 Unique 2.44, 2.75 A)
&rst
ixpk= 536, nxpk= 25, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 965, 966,
&end
#
# 62 ASN HN 62 ASN HB- 3.50 (# 538:25 Unique 2.35, 2.65 A)
&rst
ixpk= 538, nxpk= 25, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 965, 966,
&end
#
# 63 GLY HN 62 ASN HB- 4.50 (# 539:25 Unique 4.45, 4.55 A)
&rst
ixpk= 539, nxpk= 25, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 965, 966,
&end
#
# 62 ASN HD2+ 62 ASN HB- 3.50 (# 540:25 Unique 2.28, 3.18 A)
&rst
ixpk= 540, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 970, 971,
igr2= 965, 966,
&end
#
# 62 ASN HA 62 ASN HB- 3.50 (# 541:25 Unique 2.44, 2.75 A)
&rst
ixpk= 541, nxpk= 25, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 965, 966,
&end
#
# 24 TYR HD 24 TYR QB 3.50 (# 542:25 Unique 2.30, 3.08 A)
&rst
ixpk= 542, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 366, 375,
igr2= 362, 363,
&end
#
# 24 TYR HN 24 TYR QB 4.50 (# 544:25 Unique 2.14, 3.25 A)
&rst
ixpk= 544, nxpk= 25, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 362, 363,
&end
#
# 35 GLU HN 34 ASP HB- 4.50 (# 545:25 Unique 4.27, 4.49 A)
&rst
ixpk= 545, nxpk= 25, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 543, 544,
&end
#
# 34 ASP HA 34 ASP HB- 3.50 (# 546:25 Unique 2.41, 2.74 A)
&rst
ixpk= 546, nxpk= 25, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 543, 544,
&end
#
# 12 TYR HN 12 TYR HB+ 3.50 (# 549:25 Unique 2.27, 3.35 A)
&rst
ixpk= 549, nxpk= 25, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 176, 177,
&end
#
# 13 ALA HN 12 TYR HB+ 4.50 (# 550:25 Unique 2.22, 3.49 A)
&rst
ixpk= 550, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 176, 177,
&end
#
# 12 TYR HD 12 TYR HB+ 2.50 (# 551:25 Unique 2.32, 3.09 A)
&rst
ixpk= 551, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 180, 189,
igr2= 176, 177,
&end
#
# 12 TYR HE 12 TYR HB+ 4.50 (# 552:25 Unique 4.64, 5.10 A)
&rst
ixpk= 552, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 182, 187,
igr2= 176, 177,
&end
#
# 12 TYR HA 12 TYR HB+ 2.50 (# 553:25 Unique 2.28, 2.50 A)
&rst
ixpk= 553, nxpk= 25, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 176, 177,
&end
#
# 12 TYR HN 12 TYR HB- 3.50 (# 554:25 Unique 2.27, 3.35 A)
&rst
ixpk= 554, nxpk= 25, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 176, 177,
&end
#
# 12 TYR HD 12 TYR HB- 2.50 (# 555:25 Unique 2.32, 3.09 A)
&rst
ixpk= 555, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 180, 189,
igr2= 176, 177,
&end
#
# 12 TYR HA 12 TYR HB- 3.50 (# 556:25 Unique 2.28, 2.50 A)
&rst
ixpk= 556, nxpk= 25, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 176, 177,
&end
#
# 13 ALA HN 12 TYR HB- 4.50 (# 557:25 Unique 2.22, 3.49 A)
&rst
ixpk= 557, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 176, 177,
&end
#
# 0 AMB 25-2:558 0 AMB 25-1:558 4.50 (# 558:25 Double Ambig)
&rst
ixpk= 558, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1242, 904, 905,
igr2=1246,1247,1246,1247,
&end
#
# 0 AMB 25-2:559 0 AMB 25-1:559 4.50 (# 559:25 Double Ambig)
&rst
ixpk= 559, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1251,1252,1167,1172,
igr2=1246,1247,1246,1247,
&end
#
# 81 ASN HA 81 ASN HB+ 3.50 (# 560:25 Unique 2.25, 2.71 A)
&rst
ixpk= 560, nxpk= 25, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1246,1247,
&end
#
# 0 AMB 25-2:561 81 ASN HB- 4.50 (# 561:25 Single Ambig)
&rst
ixpk= 561, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1251,1252,1167,1172,
igr2=1246,1247,
&end
#
# 71 GLU HN 71 GLU HG+ 4.50 (# 562:25 Unique 2.87, 4.36 A)
&rst
ixpk= 562, nxpk= 25, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1099,1100,
&end
#
# 65 TYR HE 71 GLU HG+ 3.50 (# 563:25 Unique 2.54, 5.47 A)
&rst
ixpk= 563, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1016,1021,
igr2=1099,1100,
&end
#
# 71 GLU HA 71 GLU HG+ 3.50 (# 564:25 Unique 2.29, 2.80 A)
&rst
ixpk= 564, nxpk= 25, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1099,1100,
&end
#
# 81 ASN HA 81 ASN HB- 3.50 (# 566:25 Unique 2.25, 2.71 A)
&rst
ixpk= 566, nxpk= 25, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1246,1247,
&end
#
# 0 AMB 25-2:567 81 ASN HB- 4.50 (# 567:25 Single Ambig)
&rst
ixpk= 567, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1242, 904, 905,
igr2=1246,1247,
&end
#
# 71 GLU HN 71 GLU HG- 4.50 (# 568:25 Unique 2.87, 4.36 A)
&rst
ixpk= 568, nxpk= 25, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1099,1100,
&end
#
# 65 TYR HE 71 GLU HG- 4.50 (# 569:25 Unique 2.54, 5.47 A)
&rst
ixpk= 569, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1016,1021,
igr2=1099,1100,
&end
#
# 71 GLU HA 71 GLU HG- 3.50 (# 570:25 Unique 2.29, 2.80 A)
&rst
ixpk= 570, nxpk= 25, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1099,1100,
&end
#
# 71 GLU HB+ 71 GLU HG- 3.50 (# 572:25 Unique 2.27, 2.75 A)
&rst
ixpk= 572, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1096,1097,
igr2=1099,1100,
&end
#
# 31 LYS HN 31 LYS QB 3.50 (# 573:25 Unique 3.15, 3.67 A)
&rst
ixpk= 573, nxpk= 25, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 485, 486,
&end
#
# 32 LEU HN 31 LYS QB 3.50 (# 574:25 Unique 2.32, 3.26 A)
&rst
ixpk= 574, nxpk= 25, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 485, 486,
&end
#
# 31 LYS HA 31 LYS QB 2.50 (# 575:25 Unique 2.27, 2.43 A)
&rst
ixpk= 575, nxpk= 25, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 485, 486,
&end
#
# 0 AMB 25-2:576 31 LYS QB 4.50 (# 576:25 Single Ambig)
&rst
ixpk= 576, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 494, 495, 526, 527,
igr2= 485, 486,
&end
#
# 0 AMB 25-2:577 31 LYS QB 2.50 (# 577:25 Single Ambig)
&rst
ixpk= 577, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 488, 489, 645, 646, 647,
igr2= 485, 486,
&end
#
# 57 ASN HD2- 57 ASN HB+ 3.50 (# 579:25 Unique 2.20, 3.25 A)
&rst
ixpk= 579, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 904, 905,
igr2= 899, 900,
&end
#
# 57 ASN HA 57 ASN HB+ 3.50 (# 580:25 Unique 2.24, 2.60 A)
&rst
ixpk= 580, nxpk= 25, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 899, 900,
&end
#
# 57 ASN HD2- 57 ASN HB- 3.50 (# 582:25 Unique 2.20, 3.25 A)
&rst
ixpk= 582, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 904, 905,
igr2= 899, 900,
&end
#
# 57 ASN HA 57 ASN HB- 3.50 (# 583:25 Unique 2.24, 2.60 A)
&rst
ixpk= 583, nxpk= 25, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 899, 900,
&end
#
# 35 GLU HN 35 GLU HG+ 4.50 (# 585:25 Unique 2.77, 3.40 A)
&rst
ixpk= 585, nxpk= 25, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 558, 559,
&end
#
# 17 GLU HN 17 GLU QG 3.50 (# 587:25 Unique 2.22, 3.48 A)
&rst
ixpk= 587, nxpk= 25, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 258, 259,
&end
#
# 17 GLU HA 17 GLU QG 3.50 (# 588:25 Unique 2.28, 3.13 A)
&rst
ixpk= 588, nxpk= 25, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 258, 259,
&end
#
# 74 GLU HA 74 GLU HG+ 3.50 (# 594:25 Unique 2.40, 2.94 A)
&rst
ixpk= 594, nxpk= 25, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1149,1150,
&end
#
# 35 GLU HA 35 GLU HG+ 3.50 (# 596:25 Unique 2.20, 3.17 A)
&rst
ixpk= 596, nxpk= 25, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 558, 559,
&end
#
# 34 ASP HB+ 35 GLU HG+ 7.00 (# 598:25 Unique 5.26, 6.60 A)
&rst
ixpk= 598, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 543, 544,
igr2= 558, 559,
&end
#
# 17 GLU HB- 17 GLU QG 2.50 (# 601:25 Unique 2.27, 2.68 A)
&rst
ixpk= 601, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 255, 256,
igr2= 258, 259,
&end
#
# 16 ALA MB 17 GLU QG 5.50 (# 602:25 Unique 2.54, 5.57 A)
&rst
ixpk= 602, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 245, 246, 247,
igr2= 258, 259,
&end
#
# 74 GLU HA 74 GLU HG- 3.50 (# 603:25 Unique 2.40, 2.94 A)
&rst
ixpk= 603, nxpk= 25, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1149,1150,
&end
#
# 35 GLU HN 35 GLU HG- 3.50 (# 604:25 Unique 2.77, 3.40 A)
&rst
ixpk= 604, nxpk= 25, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 558, 559,
&end
#
# 35 GLU HA 35 GLU HG- 3.50 (# 605:25 Unique 2.20, 3.17 A)
&rst
ixpk= 605, nxpk= 25, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 558, 559,
&end
#
# 85 SER HN 84 VAL HB 3.50 (# 619:25 Unique 2.16, 2.50 A)
&rst
ixpk= 619, nxpk= 25, iat=1307,1295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 VAL HA 84 VAL HB 3.50 (# 620:25 Unique 2.45, 2.52 A)
&rst
ixpk= 620, nxpk= 25, iat=1293,1295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 VAL MGX 84 VAL HB 2.50 (# 622:25 Unique 2.35, 2.64 A)
&rst
ixpk= 622, nxpk= 25, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1297,1298,1299,1301,1302,1303,
&end
#
# 0 AMB 25-2:623 84 VAL HB 2.50 (# 623:25 Single Ambig)
&rst
ixpk= 623, nxpk= 25, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1297,1298,1299,1301,1302,1303,1331,1332,1333,
&end
#
# 0 AMB 25-2:629 0 AMB 25-1:629 3.50 (# 629:25 Double Ambig)
&rst
ixpk= 629, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 389, 380, 381,
igr2= 386, 387, 386, 387,
&end
#
# 59 MET HN 59 MET HB+ 4.50 (# 631:25 Unique 2.36, 3.09 A)
&rst
ixpk= 631, nxpk= 25, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 920, 921,
&end
#
# 59 MET HA 59 MET HB+ 3.50 (# 632:25 Unique 2.36, 2.73 A)
&rst
ixpk= 632, nxpk= 25, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 920, 921,
&end
#
# 59 MET HG- 59 MET HB+ 2.50 (# 633:25 Unique 2.39, 2.71 A)
&rst
ixpk= 633, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 923, 924,
igr2= 920, 921,
&end
#
# 67 ALA MB 59 MET HB+ 4.50 (# 635:25 Unique 2.32, 3.76 A)
&rst
ixpk= 635, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1045,1046,1047,
igr2= 920, 921,
&end
#
# 59 MET HG- 59 MET HB- 3.50 (# 636:25 Unique 2.39, 2.71 A)
&rst
ixpk= 636, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 923, 924,
igr2= 920, 921,
&end
#
# 67 ALA MB 59 MET HB- 3.50 (# 638:25 Unique 2.32, 3.76 A)
&rst
ixpk= 638, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1045,1046,1047,
igr2= 920, 921,
&end
#
# 60 ASP HN 59 MET HB- 3.50 (# 639:25 Unique 3.28, 4.02 A)
&rst
ixpk= 639, nxpk= 25, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 920, 921,
&end
#
# 59 MET HA 59 MET HB- 3.50 (# 640:25 Unique 2.36, 2.73 A)
&rst
ixpk= 640, nxpk= 25, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 920, 921,
&end
#
# 36 ARG HD- 36 ARG HB+ 3.50 (# 642:25 Unique 2.32, 3.42 A)
&rst
ixpk= 642, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 576, 577,
igr2= 570, 571,
&end
#
# 36 ARG HN 36 ARG HB+ 3.50 (# 643:25 Unique 2.52, 3.17 A)
&rst
ixpk= 643, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 570, 571,
&end
#
# 36 ARG HN 36 ARG HB- 3.50 (# 644:25 Unique 2.52, 3.17 A)
&rst
ixpk= 644, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 570, 571,
&end
#
# 36 ARG HA 36 ARG HB- 3.50 (# 645:25 Unique 2.24, 2.80 A)
&rst
ixpk= 645, nxpk= 25, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 570, 571,
&end
#
# 36 ARG HD- 36 ARG HB- 4.50 (# 646:25 Unique 2.32, 3.42 A)
&rst
ixpk= 646, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 576, 577,
igr2= 570, 571,
&end
#
# 38 LEU MDY 36 ARG HB- 3.50 (# 647:25 Unique 2.37, 4.43 A)
&rst
ixpk= 647, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 615, 616, 617, 619, 620, 621,
igr2= 570, 571,
&end
#
# 43 GLN HE2+ 43 GLN QG 3.50 (# 648:25 Unique 2.23, 3.33 A)
&rst
ixpk= 648, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 690, 691,
igr2= 685, 686,
&end
#
# 43 GLN QB 43 GLN QG 2.50 (# 650:25 Unique 2.25, 2.70 A)
&rst
ixpk= 650, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 682, 683,
igr2= 685, 686,
&end
#
# 0 AMB 25-2:651 43 GLN QG 4.50 (# 651:25 Single Ambig)
&rst
ixpk= 651, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
792, 793,
igr2= 685, 686,
&end
#
# 71 GLU HN 70 LYS HB+ 4.50 (# 657:25 Unique 2.81, 3.63 A)
&rst
ixpk= 657, nxpk= 25, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1074,1075,
&end
#
# 70 LYS HN 70 LYS HB+ 3.50 (# 658:25 Unique 2.26, 3.03 A)
&rst
ixpk= 658, nxpk= 25, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1074,1075,
&end
#
# 70 LYS QG 70 LYS HB+ 2.50 (# 659:25 Unique 2.33, 2.61 A)
&rst
ixpk= 659, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1077,1078,
igr2=1074,1075,
&end
#
# 71 GLU HN 70 LYS HB- 4.50 (# 660:25 Unique 2.81, 3.63 A)
&rst
ixpk= 660, nxpk= 25, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1074,1075,
&end
#
# 70 LYS HN 70 LYS HB- 3.50 (# 661:25 Unique 2.26, 3.03 A)
&rst
ixpk= 661, nxpk= 25, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1074,1075,
&end
#
# 70 LYS QG 70 LYS HB- 2.50 (# 662:25 Unique 2.33, 2.61 A)
&rst
ixpk= 662, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1077,1078,
igr2=1074,1075,
&end
#
# 33 HIS HA 33 HIS HB+ 3.50 (# 663:25 Unique 2.38, 2.77 A)
&rst
ixpk= 663, nxpk= 25, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 526, 527,
&end
#
# 0 AMB 25-2:665 0 AMB 25-1:665 4.50 (# 665:25 Double Ambig)
&rst
ixpk= 665, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 491, 492, 613,
igr2= 526, 527, 526, 527,
&end
#
# 38 LEU MDX 33 HIS HB+ 3.50 (# 666:25 Unique 2.32, 4.90 A)
&rst
ixpk= 666, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 615, 616, 617, 619, 620, 621,
igr2= 526, 527,
&end
#
# 33 HIS HA 33 HIS HB- 3.50 (# 667:25 Unique 2.38, 2.77 A)
&rst
ixpk= 667, nxpk= 25, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 526, 527,
&end
#
# 0 AMB 25-2:669 33 HIS HB- 4.50 (# 669:25 Single Ambig)
&rst
ixpk= 669, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 491, 492, 613,
igr2= 526, 527,
&end
#
# 38 LEU MDX 33 HIS HB- 3.50 (# 670:25 Unique 2.32, 4.90 A)
&rst
ixpk= 670, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 615, 616, 617, 619, 620, 621,
igr2= 526, 527,
&end
#
# 0 AMB 25-2:673 0 AMB 25-1:673 3.50 (# 673:25 Double Ambig)
&rst
ixpk= 673, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 217, 241,
igr2= 210, 211, 210, 211,
&end
#
# 14 PRO HA 14 PRO HB+ 3.50 (# 674:25 Unique 2.27, 2.62 A)
&rst
ixpk= 674, nxpk= 25, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 210, 211,
&end
#
# 0 AMB 25-2:675 0 AMB 25-1:675 3.50 (# 675:25 Double Ambig)
&rst
ixpk= 675, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 204, 205, 204, 205,
igr2= 210, 211, 210, 211,
&end
#
# 14 PRO QG 14 PRO HB+ 2.50 (# 676:25 Unique 2.37, 2.63 A)
&rst
ixpk= 676, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 207, 208,
igr2= 210, 211,
&end
#
# 0 AMB 25-2:682 14 PRO HB- 3.50 (# 682:25 Single Ambig)
&rst
ixpk= 682, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 204, 205, 204, 205,
igr2= 210, 211,
&end
#
# 0 AMB 25-2:687 39 VAL HB 3.50 (# 687:25 Single Ambig)
&rst
ixpk= 687, nxpk= 25, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 783, 808, 809,
&end
#
# 83 PRO HD+ 83 PRO HB- 4.50 (# 688:25 Unique 2.89, 3.70 A)
&rst
ixpk= 688, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1278,1279,
igr2=1284,1285,
&end
#
# 0 AMB 25-2:689 0 AMB 25-1:689 3.50 (# 689:25 Double Ambig)
&rst
ixpk= 689, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1422,1287,
igr2=1419,1420,1284,1285,
&end
#
# 0 AMB 25-2:693 0 AMB 25-1:693 2.50 (# 693:25 Double Ambig)
&rst
ixpk= 693, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 596, 597, 598, 600, 601, 602, 596, 597, 598, 600,
601, 602, 837, 838, 839, 841, 842, 843, 951, 952,
953, 955, 956, 957,1113,1114,1115,1117,1118,1119,
1113,1114,1115,1117,1118,1119,
igr2= 835, 949,
&end
#
# 0 AMB 25-2:694 0 AMB 25-1:694 3.50 (# 694:25 Double Ambig)
&rst
ixpk= 694, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 961, 847,
igr2= 949, 835,
&end
#
# 61 VAL HA 61 VAL HB 4.50 (# 695:25 Unique 2.40, 2.42 A)
&rst
ixpk= 695, nxpk= 25, iat= 947, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:699 0 AMB 25-1:699 3.50 (# 699:25 Double Ambig)
&rst
ixpk= 699, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 797,1107,
igr2= 785,1111,
&end
#
# 73 LEU HN 72 VAL HB 4.50 (# 700:25 Unique 2.79, 3.03 A)
&rst
ixpk= 700, nxpk= 25, iat=1123,1111, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:701 72 VAL HB 2.50 (# 701:25 Single Ambig)
&rst
ixpk= 701, nxpk= 25, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 596, 597, 598, 600, 601, 602, 596, 597, 598, 600,
601, 602,1113,1114,1115,1117,1118,1119,1113,1114,
1115,1117,1118,1119,1132,1133,1134,1136,1137,1138,
&end
#
# 59 MET HN 59 MET HG+ 4.50 (# 702:25 Unique 2.35, 3.16 A)
&rst
ixpk= 702, nxpk= 25, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 923, 924,
&end
#
# 59 MET HA 59 MET HG+ 3.50 (# 703:25 Unique 2.35, 3.09 A)
&rst
ixpk= 703, nxpk= 25, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 923, 924,
&end
#
# 59 MET HB+ 59 MET HG+ 3.50 (# 705:25 Unique 2.39, 2.71 A)
&rst
ixpk= 705, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 920, 921,
igr2= 923, 924,
&end
#
# 59 MET HB- 59 MET HG+ 3.50 (# 706:25 Unique 2.39, 2.71 A)
&rst
ixpk= 706, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 920, 921,
igr2= 923, 924,
&end
#
# 67 ALA MB 59 MET HG+ 4.50 (# 707:25 Unique 2.53, 4.54 A)
&rst
ixpk= 707, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1045,1046,1047,
igr2= 923, 924,
&end
#
# 59 MET HN 59 MET HG- 3.50 (# 708:25 Unique 2.35, 3.16 A)
&rst
ixpk= 708, nxpk= 25, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 923, 924,
&end
#
# 59 MET HA 59 MET HG- 3.50 (# 709:25 Unique 2.35, 3.09 A)
&rst
ixpk= 709, nxpk= 25, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 923, 924,
&end
#
# 59 MET HB+ 59 MET HG- 2.50 (# 711:25 Unique 2.39, 2.71 A)
&rst
ixpk= 711, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 920, 921,
igr2= 923, 924,
&end
#
# 59 MET HB- 59 MET HG- 3.50 (# 712:25 Unique 2.39, 2.71 A)
&rst
ixpk= 712, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 920, 921,
igr2= 923, 924,
&end
#
# 67 ALA MB 59 MET HG- 4.50 (# 713:25 Unique 2.53, 4.54 A)
&rst
ixpk= 713, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1045,1046,1047,
igr2= 923, 924,
&end
#
# 39 VAL HN 39 VAL HB 3.50 (# 714:25 Unique 2.38, 2.46 A)
&rst
ixpk= 714, nxpk= 25, iat= 625, 629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 VAL MGX 39 VAL HB 2.50 (# 715:25 Unique 2.43, 2.67 A)
&rst
ixpk= 715, nxpk= 25, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 631, 632, 633, 635, 636, 637,
&end
#
# 39 VAL MGY 39 VAL HB 3.50 (# 716:25 Unique 2.43, 2.67 A)
&rst
ixpk= 716, nxpk= 25, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 631, 632, 633, 635, 636, 637,
&end
#
# 0 AMB 25-2:717 0 AMB 25-1:717 3.50 (# 717:25 Double Ambig)
&rst
ixpk= 717, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1426,1450,
igr2=1419,1420,1419,1420,
&end
#
# 37 VAL HN 37 VAL HB 4.50 (# 718:25 Unique 2.40, 3.02 A)
&rst
ixpk= 718, nxpk= 25, iat= 590, 594, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:719 0 AMB 25-1:719 4.50 (# 719:25 Double Ambig)
&rst
ixpk= 719, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 995,1006,
igr2= 986, 987, 986, 987,
&end
#
# 64 ARG HA 64 ARG HB+ 3.50 (# 720:25 Unique 2.38, 2.49 A)
&rst
ixpk= 720, nxpk= 25, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 986, 987,
&end
#
# 64 ARG QD 64 ARG HB+ 3.50 (# 721:25 Unique 2.19, 3.14 A)
&rst
ixpk= 721, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 992, 993,
igr2= 986, 987,
&end
#
# 64 ARG HA 64 ARG HB- 3.50 (# 723:25 Unique 2.38, 2.49 A)
&rst
ixpk= 723, nxpk= 25, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 986, 987,
&end
#
# 64 ARG QD 64 ARG HB- 4.50 (# 724:25 Unique 2.19, 3.14 A)
&rst
ixpk= 724, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 992, 993,
igr2= 986, 987,
&end
#
# 0 AMB 25-2:726 64 ARG HB- 3.50 (# 726:25 Single Ambig)
&rst
ixpk= 726, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
517, 518, 596, 597, 598, 600, 601, 602, 596, 597,
598, 600, 601, 602, 510,1132,1133,1134,1136,1137,
1138,
igr2= 986, 987,
&end
#
# 17 GLU HA 17 GLU HB+ 3.50 (# 727:25 Unique 2.34, 2.76 A)
&rst
ixpk= 727, nxpk= 25, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 255, 256,
&end
#
# 17 GLU QG 17 GLU HB+ 2.50 (# 728:25 Unique 2.27, 2.68 A)
&rst
ixpk= 728, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 258, 259,
igr2= 255, 256,
&end
#
# 49 VAL HA 49 VAL HB 3.50 (# 730:25 Unique 2.37, 2.59 A)
&rst
ixpk= 730, nxpk= 25, iat= 783, 785, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:731 0 AMB 25-1:731 2.50 (# 731:25 Double Ambig)
&rst
ixpk= 731, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
792, 793,1132,1133,1134,1136,1137,1138,
igr2= 785,1111,
&end
#
# 0 AMB 25-2:732 0 AMB 25-1:732 3.50 (# 732:25 Double Ambig)
&rst
ixpk= 732, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 241, 217, 251,
igr2= 221, 222, 221, 222, 221, 222,
&end
#
# 15 ARG HA 15 ARG HB+ 3.50 (# 733:25 Unique 2.39, 2.70 A)
&rst
ixpk= 733, nxpk= 25, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 221, 222,
&end
#
# 15 ARG HA 15 ARG HB- 3.50 (# 734:25 Unique 2.39, 2.70 A)
&rst
ixpk= 734, nxpk= 25, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 221, 222,
&end
#
# 15 ARG HD- 15 ARG HB- 3.50 (# 735:25 Unique 2.32, 3.10 A)
&rst
ixpk= 735, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 227, 228,
igr2= 221, 222,
&end
#
# 92 ARG HD- 92 ARG HB+ 3.50 (# 738:25 Unique 2.30, 3.16 A)
&rst
ixpk= 738, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1436,1437,
igr2=1430,1431,
&end
#
# 0 AMB 25-2:739 15 ARG HB- 3.50 (# 739:25 Single Ambig)
&rst
ixpk= 739, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 241, 217, 251,
igr2= 221, 222,
&end
#
# 80 ALA HN 79 PRO HB+ 4.50 (# 740:25 Unique 3.75, 4.22 A)
&rst
ixpk= 740, nxpk= 25, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1225,1226,
&end
#
# 0 AMB 25-2:741 0 AMB 25-1:741 3.50 (# 741:25 Double Ambig)
&rst
ixpk= 741, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1228,1219,1220,
igr2=1225,1226,1225,1226,
&end
#
# 79 PRO HD+ 79 PRO HB+ 4.50 (# 743:25 Unique 2.84, 3.69 A)
&rst
ixpk= 743, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1219,1220,
igr2=1225,1226,
&end
#
# 79 PRO HG+ 79 PRO HB+ 2.50 (# 744:25 Unique 2.39, 2.64 A)
&rst
ixpk= 744, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1222,1223,
igr2=1225,1226,
&end
#
# 79 PRO HG- 79 PRO HB+ 3.50 (# 745:25 Unique 2.39, 2.64 A)
&rst
ixpk= 745, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1222,1223,
igr2=1225,1226,
&end
#
# 0 AMB 25-2:746 79 PRO HB- 2.50 (# 746:25 Single Ambig)
&rst
ixpk= 746, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1228,1219,1220,
igr2=1225,1226,
&end
#
# 79 PRO HG+ 79 PRO HB- 3.50 (# 747:25 Unique 2.39, 2.64 A)
&rst
ixpk= 747, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1222,1223,
igr2=1225,1226,
&end
#
# 79 PRO HG- 79 PRO HB- 2.50 (# 749:25 Unique 2.39, 2.64 A)
&rst
ixpk= 749, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1222,1223,
igr2=1225,1226,
&end
#
# 43 GLN QG 43 GLN QB 2.50 (# 752:25 Unique 2.25, 2.70 A)
&rst
ixpk= 752, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 685, 686,
igr2= 682, 683,
&end
#
# 90 ARG HN 90 ARG HB+ 3.50 (# 754:25 Unique 2.17, 3.07 A)
&rst
ixpk= 754, nxpk= 25, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1392,1393,
&end
#
# 90 ARG HA 90 ARG HB+ 3.50 (# 755:25 Unique 2.34, 2.78 A)
&rst
ixpk= 755, nxpk= 25, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1392,1393,
&end
#
# 90 ARG HN 90 ARG HB- 3.50 (# 756:25 Unique 2.17, 3.07 A)
&rst
ixpk= 756, nxpk= 25, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1392,1393,
&end
#
# 90 ARG HA 90 ARG HB- 3.50 (# 757:25 Unique 2.34, 2.78 A)
&rst
ixpk= 757, nxpk= 25, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1392,1393,
&end
#
# 74 GLU HN 74 GLU HB- 4.50 (# 767:25 Unique 2.39, 2.67 A)
&rst
ixpk= 767, nxpk= 25, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1146,1147,
&end
#
# 74 GLU HG+ 74 GLU HB- 2.50 (# 768:25 Unique 2.37, 2.73 A)
&rst
ixpk= 768, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1149,1150,
igr2=1146,1147,
&end
#
# 75 TYR HN 74 GLU HB- 3.50 (# 769:25 Unique 2.57, 3.23 A)
&rst
ixpk= 769, nxpk= 25, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1146,1147,
&end
#
# 74 GLU HA 74 GLU HB- 3.50 (# 770:25 Unique 2.47, 2.78 A)
&rst
ixpk= 770, nxpk= 25, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1146,1147,
&end
#
# 74 GLU HN 74 GLU HB+ 4.50 (# 771:25 Unique 2.39, 2.67 A)
&rst
ixpk= 771, nxpk= 25, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1146,1147,
&end
#
# 74 GLU HA 74 GLU HB+ 3.50 (# 772:25 Unique 2.47, 2.78 A)
&rst
ixpk= 772, nxpk= 25, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1146,1147,
&end
#
# 74 GLU HG+ 74 GLU HB+ 3.50 (# 773:25 Unique 2.37, 2.73 A)
&rst
ixpk= 773, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1149,1150,
igr2=1146,1147,
&end
#
# 71 GLU HN 71 GLU HB+ 3.50 (# 777:25 Unique 2.25, 2.60 A)
&rst
ixpk= 777, nxpk= 25, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1096,1097,
&end
#
# 71 GLU HA 71 GLU HB+ 3.50 (# 778:25 Unique 2.45, 2.78 A)
&rst
ixpk= 778, nxpk= 25, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1096,1097,
&end
#
# 0 AMB 25-2:779 0 AMB 25-1:779 3.50 (# 779:25 Double Ambig)
&rst
ixpk= 779, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1099,1100,1149,1150,
igr2=1096,1097,1096,1097,
&end
#
# 71 GLU HN 71 GLU HB- 3.50 (# 780:25 Unique 2.25, 2.60 A)
&rst
ixpk= 780, nxpk= 25, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1096,1097,
&end
#
# 71 GLU HA 71 GLU HB- 3.50 (# 781:25 Unique 2.45, 2.78 A)
&rst
ixpk= 781, nxpk= 25, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1096,1097,
&end
#
# 71 GLU HG+ 71 GLU HB- 3.50 (# 782:25 Unique 2.27, 2.75 A)
&rst
ixpk= 782, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1099,1100,
igr2=1096,1097,
&end
#
# 0 AMB 25-2:783 31 LYS QD 2.50 (# 783:25 Single Ambig)
&rst
ixpk= 783, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 645, 646, 647, 610, 611, 488, 489,
igr2= 491, 492,
&end
#
# 0 AMB 25-2:784 31 LYS QD 3.50 (# 784:25 Single Ambig)
&rst
ixpk= 784, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
620, 621,
igr2= 491, 492,
&end
#
# 70 LYS HN 70 LYS QD 4.50 (# 785:25 Unique 2.51, 4.10 A)
&rst
ixpk= 785, nxpk= 25, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1080,1081,
&end
#
# 75 TYR HD 70 LYS QD 4.50 (# 786:25 Unique 3.06, 6.16 A)
&rst
ixpk= 786, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1165,1174,
igr2=1080,1081,
&end
#
# 70 LYS QE 70 LYS QD 2.50 (# 787:25 Unique 2.32, 2.72 A)
&rst
ixpk= 787, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1083,1084,
igr2=1080,1081,
&end
#
# 70 LYS QG 70 LYS QD 2.50 (# 789:25 Unique 2.34, 2.71 A)
&rst
ixpk= 789, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1077,1078,
igr2=1080,1081,
&end
#
# 70 LYS HA 70 LYS QD 2.50 (# 790:25 Unique 2.26, 2.96 A)
&rst
ixpk= 790, nxpk= 25, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2=1080,1081,
&end
#
# 0 AMB 25-2:792 31 LYS QD 2.50 (# 792:25 Single Ambig)
&rst
ixpk= 792, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 494, 495, 526, 527,
igr2= 491, 492,
&end
#
# 56 ILE HA 56 ILE HG1- 4.50 (# 800:25 Unique 2.53, 2.87 A)
&rst
ixpk= 800, nxpk= 25, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 886, 887,
&end
#
# 0 AMB 25-2:803 0 AMB 25-1:803 4.50 (# 803:25 Double Ambig)
&rst
ixpk= 803, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 551, 982,
igr2= 555, 556, 555, 556,
&end
#
# 35 GLU HA 35 GLU HB+ 3.50 (# 804:25 Unique 2.38, 2.74 A)
&rst
ixpk= 804, nxpk= 25, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 555, 556,
&end
#
# 35 GLU HN 35 GLU HB- 4.50 (# 806:25 Unique 2.89, 3.75 A)
&rst
ixpk= 806, nxpk= 25, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 555, 556,
&end
#
# 83 PRO HD+ 83 PRO HG- 3.50 (# 809:25 Unique 2.31, 2.60 A)
&rst
ixpk= 809, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1278,1279,
igr2=1281,1282,
&end
#
# 83 PRO HD- 83 PRO HG- 3.50 (# 810:25 Unique 2.31, 2.60 A)
&rst
ixpk= 810, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1278,1279,
igr2=1281,1282,
&end
#
# 0 AMB 25-2:812 0 AMB 25-1:812 5.50 (# 812:25 Double Ambig)
&rst
ixpk= 812, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1426, 217,
igr2=1416,1417, 207, 208,
&end
#
# 0 AMB 25-2:814 0 AMB 25-1:814 3.50 (# 814:25 Double Ambig)
&rst
ixpk= 814, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 213,1422,
igr2= 207, 208,1416,1417,
&end
#
# 0 AMB 25-2:815 0 AMB 25-1:815 2.50 (# 815:25 Double Ambig)
&rst
ixpk= 815, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 204, 205, 204, 205,1413,1414,1413,1414,
igr2= 207, 208,1416,1417,
&end
#
# 14 PRO HB+ 14 PRO QG 2.50 (# 816:25 Unique 2.37, 2.63 A)
&rst
ixpk= 816, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 210, 211,
igr2= 207, 208,
&end
#
# 83 PRO HD- 83 PRO HG+ 3.50 (# 818:25 Unique 2.31, 2.60 A)
&rst
ixpk= 818, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1278,1279,
igr2=1281,1282,
&end
#
# 83 PRO HD+ 83 PRO HG+ 3.50 (# 819:25 Unique 2.31, 2.60 A)
&rst
ixpk= 819, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1278,1279,
igr2=1281,1282,
&end
#
# 84 VAL MGX 83 PRO HG+ 4.50 (# 822:25 Unique 4.54, 6.99 A)
&rst
ixpk= 822, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1297,1298,1299,1301,1302,1303,
igr2=1281,1282,
&end
#
# 86 ILE MG2 56 ILE HG1- 3.50 (# 826:25 Unique 2.21, 3.81 A)
&rst
ixpk= 826, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1324,1325,1326,
igr2= 886, 887,
&end
#
# 52 ALA MB 91 PRO QG 5.50 (# 828:25 Unique 2.26, 4.96 A)
&rst
ixpk= 828, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 825, 826, 827,
igr2=1416,1417,
&end
#
# 73 LEU HN 73 LEU HG 3.50 (# 831:25 Unique 2.29, 2.51 A)
&rst
ixpk= 831, nxpk= 25, iat=1123,1130, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 LEU HA 73 LEU HG 4.50 (# 832:25 Unique 2.40, 3.15 A)
&rst
ixpk= 832, nxpk= 25, iat=1125,1130, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:833 38 LEU HG 4.50 (# 833:25 Single Ambig)
&rst
ixpk= 833, nxpk= 25, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 526, 527, 494, 495,
&end
#
# 38 LEU MDY 38 LEU HG 2.50 (# 834:25 Unique 2.36, 2.66 A)
&rst
ixpk= 834, nxpk= 25, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 615, 616, 617, 619, 620, 621,
&end
#
# 39 VAL HN 38 LEU HG 5.50 (# 835:25 Unique 2.55, 4.47 A)
&rst
ixpk= 835, nxpk= 25, iat= 625, 613, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLY HA+ 38 LEU HG 5.50 (# 836:25 Unique 2.84, 5.34 A)
&rst
ixpk= 836, nxpk= 25, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 799, 800,
&end
#
# 76 LEU MDX 76 LEU HG 3.50 (# 849:25 Unique 2.39, 2.66 A)
&rst
ixpk= 849, nxpk= 25, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1187,1188,1189,1191,1192,1193,
&end
#
# 0 AMB 25-2:850 76 LEU HG 2.50 (# 850:25 Single Ambig)
&rst
ixpk= 850, nxpk= 25, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1187,1188,1189,1191,1192,1193,1113,1114,1115,1117,
1118,1119,1113,1114,1115,1117,1118,1119,
&end
#
# 39 VAL HA 38 LEU HG 7.00 (# 851:25 Unique 5.03, 6.62 A)
&rst
ixpk= 851, nxpk= 25, iat= 627, 613, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 90 ARG HN 90 ARG QG 3.50 (# 854:25 Unique 1.99, 3.24 A)
&rst
ixpk= 854, nxpk= 25, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1395,1396,
&end
#
# 0 AMB 25-2:855 90 ARG QG 3.50 (# 855:25 Single Ambig)
&rst
ixpk= 855, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1390, 806,
igr2=1395,1396,
&end
#
# 76 LEU HN 76 LEU MDY 3.50 (# 862:25 Unique 3.71, 4.51 A)
&rst
ixpk= 862, nxpk= 25, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 75 TYR HD 76 LEU MDY 4.50 (# 863:25 Unique 2.66, 6.55 A)
&rst
ixpk= 863, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1165,1174,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 76 LEU HA 76 LEU MDY 3.50 (# 864:25 Unique 2.17, 3.84 A)
&rst
ixpk= 864, nxpk= 25, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 76 LEU HG 76 LEU MDY 2.50 (# 865:25 Unique 2.39, 2.66 A)
&rst
ixpk= 865, nxpk= 25, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 86 ILE MG2 76 LEU MDY 3.50 (# 866:25 Unique 3.91, 6.01 A)
&rst
ixpk= 866, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1324,1325,1326,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 0 AMB 25-2:868 38 LEU MDX 3.50 (# 868:25 Single Ambig)
&rst
ixpk= 868, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 606, 625,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 38 LEU HA 38 LEU MDX 5.50 (# 870:25 Unique 2.19, 3.90 A)
&rst
ixpk= 870, nxpk= 25, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 37 VAL HA 0 AMB 25-1:871 5.50 (# 871:25 Single Ambig)
&rst
ixpk= 871, nxpk= 25, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 615, 616, 617, 619, 620, 621,1132,1133,1134,1136,
1137,1138,
&end
#
# 33 HIS HB+ 38 LEU MDX 3.50 (# 872:25 Unique 2.32, 4.90 A)
&rst
ixpk= 872, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 526, 527,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 0 AMB 25-2:873 38 LEU MDX 3.50 (# 873:25 Single Ambig)
&rst
ixpk= 873, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 494, 495, 526, 527,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 0 AMB 25-2:874 38 LEU MDX 2.50 (# 874:25 Single Ambig)
&rst
ixpk= 874, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 825, 826, 827, 610, 611,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 0 AMB 25-2:875 0 AMB 25-1:875 2.50 (# 875:25 Double Ambig)
&rst
ixpk= 875, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 466, 467,1182,1183,
igr2= 469,1187,1188,1189,1191,1192,1193,
&end
#
# 30 LEU HB- 30 LEU HG 3.50 (# 876:25 Unique 2.28, 2.69 A)
&rst
ixpk= 876, nxpk= 25, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 466, 467,
&end
#
# 80 ALA HN 79 PRO HG+ 3.50 (# 877:25 Unique 2.79, 3.74 A)
&rst
ixpk= 877, nxpk= 25, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1222,1223,
&end
#
# 78 ASN HA 79 PRO HG+ 5.50 (# 878:25 Unique 4.42, 4.55 A)
&rst
ixpk= 878, nxpk= 25, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1222,1223,
&end
#
# 79 PRO HD+ 79 PRO HG+ 3.50 (# 879:25 Unique 2.33, 2.61 A)
&rst
ixpk= 879, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1219,1220,
igr2=1222,1223,
&end
#
# 79 PRO HD- 79 PRO HG+ 3.50 (# 880:25 Unique 2.33, 2.61 A)
&rst
ixpk= 880, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1219,1220,
igr2=1222,1223,
&end
#
# 79 PRO HD+ 79 PRO HG- 3.50 (# 882:25 Unique 2.33, 2.61 A)
&rst
ixpk= 882, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1219,1220,
igr2=1222,1223,
&end
#
# 79 PRO HD- 79 PRO HG- 3.50 (# 883:25 Unique 2.33, 2.61 A)
&rst
ixpk= 883, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1219,1220,
igr2=1222,1223,
&end
#
# 73 LEU HN 73 LEU MDX 3.50 (# 885:25 Unique 1.88, 4.33 A)
&rst
ixpk= 885, nxpk= 25, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1132,1133,1134,1136,1137,1138,
&end
#
# 73 LEU HA 73 LEU MDX 3.50 (# 886:25 Unique 2.18, 3.82 A)
&rst
ixpk= 886, nxpk= 25, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1132,1133,1134,1136,1137,1138,
&end
#
# 31 LYS HA 73 LEU MDX 4.50 (# 887:25 Unique 2.60, 4.06 A)
&rst
ixpk= 887, nxpk= 25, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1132,1133,1134,1136,1137,1138,
&end
#
# 73 LEU HB+ 73 LEU MDX 2.50 (# 888:25 Unique 2.42, 3.35 A)
&rst
ixpk= 888, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1127,1128,
igr2=1132,1133,1134,1136,1137,1138,
&end
#
# 0 AMB 25-2:889 73 LEU MDX 2.50 (# 889:25 Single Ambig)
&rst
ixpk= 889, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 507, 508,1130, 986, 987,
igr2=1132,1133,1134,1136,1137,1138,
&end
#
# 32 LEU HA 0 AMB 25-1:890 5.50 (# 890:25 Single Ambig)
&rst
ixpk= 890, nxpk= 25, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1132,1133,1134,1136,1137,1138, 615, 616, 617, 619,
620, 621,
&end
#
# 50 GLY HA+ 38 LEU MDX 4.50 (# 891:25 Unique 2.39, 5.50 A)
&rst
ixpk= 891, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 799, 800,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 50 GLY HA- 38 LEU MDX 4.50 (# 892:25 Unique 2.39, 5.50 A)
&rst
ixpk= 892, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 799, 800,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 36 ARG HD- 38 LEU MDX 7.00 (# 893:25 Unique 3.02, 6.95 A)
&rst
ixpk= 893, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 576, 577,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 0 AMB 25-2:899 73 LEU MDX 2.50 (# 899:25 Single Ambig)
&rst
ixpk= 899, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 507, 508,1127,1128,
igr2=1132,1133,1134,1136,1137,1138,
&end
#
# 32 LEU HN 73 LEU MDX 4.50 (# 900:25 Unique 2.36, 4.50 A)
&rst
ixpk= 900, nxpk= 25, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1132,1133,1134,1136,1137,1138,
&end
#
# 64 ARG HE 32 LEU MDY 5.50 (# 911:25 Unique 2.38, 4.36 A)
&rst
ixpk= 911, nxpk= 25, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 65 TYR HE 32 LEU MDY 4.50 (# 912:25 Unique 5.32, 7.39 A)
&rst
ixpk= 912, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1016,1021,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 32 LEU HA 32 LEU MDY 3.50 (# 913:25 Unique 2.34, 3.93 A)
&rst
ixpk= 913, nxpk= 25, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 37 VAL HA 32 LEU MDY 4.50 (# 914:25 Unique 3.24, 5.50 A)
&rst
ixpk= 914, nxpk= 25, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 35 GLU HA 32 LEU MDY 4.50 (# 916:25 Unique 2.21, 4.07 A)
&rst
ixpk= 916, nxpk= 25, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 64 ARG QD 32 LEU MDY 3.50 (# 917:25 Unique 2.19, 4.23 A)
&rst
ixpk= 917, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 992, 993,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 25-2:918 32 LEU MDY 4.50 (# 918:25 Single Ambig)
&rst
ixpk= 918, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 558, 559, 555, 556,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 25-2:919 32 LEU MDY 2.50 (# 919:25 Single Ambig)
&rst
ixpk= 919, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 986, 987, 507, 508,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 32 LEU HB- 32 LEU MDY 2.50 (# 920:25 Unique 2.31, 3.34 A)
&rst
ixpk= 920, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 507, 508,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 70 LYS HN 70 LYS QG 5.50 (# 929:25 Unique 2.06, 2.94 A)
&rst
ixpk= 929, nxpk= 25, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1077,1078,
&end
#
# 70 LYS HA 70 LYS QG 3.50 (# 930:25 Unique 2.62, 3.52 A)
&rst
ixpk= 930, nxpk= 25, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1077,1078,
&end
#
# 70 LYS QE 70 LYS QG 3.50 (# 931:25 Unique 2.40, 3.07 A)
&rst
ixpk= 931, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1083,1084,
igr2=1077,1078,
&end
#
# 70 LYS HB- 70 LYS QG 3.50 (# 932:25 Unique 2.33, 2.61 A)
&rst
ixpk= 932, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1074,1075,
igr2=1077,1078,
&end
#
# 70 LYS QD 70 LYS QG 2.50 (# 933:25 Unique 2.34, 2.71 A)
&rst
ixpk= 933, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1080,1081,
igr2=1077,1078,
&end
#
# 66 THR MG2 70 LYS QG 5.50 (# 934:25 Unique 3.75, 5.01 A)
&rst
ixpk= 934, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1033,1034,1035,
igr2=1077,1078,
&end
#
# 0 AMB 25-2:935 0 AMB 25-1:935 4.50 (# 935:25 Double Ambig)
&rst
ixpk= 935, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 995,1006,
igr2= 989, 990, 989, 990,
&end
#
# 64 ARG HN 64 ARG HG+ 4.50 (# 937:25 Unique 2.02, 3.14 A)
&rst
ixpk= 937, nxpk= 25, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 989, 990,
&end
#
# 0 AMB 25-2:938 0 AMB 25-1:938 2.50 (# 938:25 Double Ambig)
&rst
ixpk= 938, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 507, 508, 134, 135, 137, 466, 467,
igr2=1132,1133,1134,1136,1137,1138, 139, 140, 141, 143,
144, 145,
&end
#
# 33 HIS HN 32 LEU MDY 4.50 (# 942:25 Unique 2.22, 4.56 A)
&rst
ixpk= 942, nxpk= 25, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 35 GLU HN 32 LEU MDY 4.50 (# 943:25 Unique 2.91, 4.95 A)
&rst
ixpk= 943, nxpk= 25, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 64 ARG QD 64 ARG HG- 3.50 (# 945:25 Unique 2.24, 2.70 A)
&rst
ixpk= 945, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 992, 993,
igr2= 989, 990,
&end
#
# 0 AMB 25-2:947 31 LYS HG- 2.50 (# 947:25 Single Ambig)
&rst
ixpk= 947, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 494, 495, 526, 527,
igr2= 488, 489,
&end
#
# 10 ASP HN 9 LEU MDY 4.50 (# 950:25 Unique 2.08, 4.71 A)
&rst
ixpk= 950, nxpk= 25, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 139, 140, 141, 143, 144, 145,
&end
#
# 31 LYS HN 31 LYS HG- 4.50 (# 954:25 Unique 2.36, 3.65 A)
&rst
ixpk= 954, nxpk= 25, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 488, 489,
&end
#
# 0 AMB 25-2:955 31 LYS HG- 4.50 (# 955:25 Single Ambig)
&rst
ixpk= 955, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 483, 524,
igr2= 488, 489,
&end
#
# 0 AMB 25-2:956 31 LYS HG- 2.50 (# 956:25 Single Ambig)
&rst
ixpk= 956, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 485, 486, 491, 492, 610, 611,
igr2= 488, 489,
&end
#
# 0 AMB 25-2:957 0 AMB 25-1:957 2.50 (# 957:25 Double Ambig)
&rst
ixpk= 957, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 485, 486, 491, 492, 610, 611,
igr2= 488, 489, 488, 489, 488, 489,
&end
#
# 0 AMB 25-2:958 0 AMB 25-1:958 4.50 (# 958:25 Double Ambig)
&rst
ixpk= 958, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 483, 524,
igr2= 488, 489, 488, 489,
&end
#
# 9 LEU HA 9 LEU MDY 3.50 (# 959:25 Unique 2.15, 3.85 A)
&rst
ixpk= 959, nxpk= 25, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 139, 140, 141, 143, 144, 145,
&end
#
# 0 AMB 25-2:962 9 LEU MDY 2.50 (# 962:25 Single Ambig)
&rst
ixpk= 962, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 134, 135, 137,
igr2= 139, 140, 141, 143, 144, 145,
&end
#
# 32 LEU HA 37 VAL MGY 4.50 (# 966:25 Unique 2.22, 4.52 A)
&rst
ixpk= 966, nxpk= 25, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 33 HIS HN 32 LEU MDX 3.50 (# 967:25 Unique 2.22, 4.56 A)
&rst
ixpk= 967, nxpk= 25, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 35 GLU HN 32 LEU MDX 3.50 (# 968:25 Unique 2.91, 4.95 A)
&rst
ixpk= 968, nxpk= 25, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 64 ARG HE 32 LEU MDX 5.50 (# 970:25 Unique 2.38, 4.36 A)
&rst
ixpk= 970, nxpk= 25, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 36 ARG HN 32 LEU MDX 4.50 (# 971:25 Unique 2.45, 5.03 A)
&rst
ixpk= 971, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 65 TYR HE 32 LEU MDX 4.50 (# 973:25 Unique 5.32, 7.39 A)
&rst
ixpk= 973, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1016,1021,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 32 LEU HA 32 LEU MDX 3.50 (# 975:25 Unique 2.34, 3.93 A)
&rst
ixpk= 975, nxpk= 25, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 35 GLU HA 32 LEU MDX 3.50 (# 977:25 Unique 2.21, 4.07 A)
&rst
ixpk= 977, nxpk= 25, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 64 ARG QD 32 LEU MDX 3.50 (# 978:25 Unique 2.19, 4.23 A)
&rst
ixpk= 978, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 992, 993,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 25-2:979 32 LEU MDX 4.50 (# 979:25 Single Ambig)
&rst
ixpk= 979, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 558, 559, 555, 556,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 25-2:980 32 LEU MDX 2.50 (# 980:25 Single Ambig)
&rst
ixpk= 980, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 986, 987, 507, 508,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 32 LEU HB- 32 LEU MDX 2.50 (# 981:25 Unique 2.31, 3.34 A)
&rst
ixpk= 981, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 507, 508,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 25 PRO HD+ 25 PRO QG 2.50 (# 987:25 Unique 2.33, 2.61 A)
&rst
ixpk= 987, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 380, 381,
igr2= 383, 384,
&end
#
# 0 AMB 25-2:988 25 PRO QG 2.50 (# 988:25 Single Ambig)
&rst
ixpk= 988, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 380, 381, 389,
igr2= 383, 384,
&end
#
# 25 PRO HB+ 25 PRO QG 2.50 (# 989:25 Unique 2.37, 2.63 A)
&rst
ixpk= 989, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 386, 387,
igr2= 383, 384,
&end
#
# 32 LEU HN 73 LEU MDY 3.50 (# 1000:25 Unique 2.36, 4.50 A)
&rst
ixpk= 1000, nxpk= 25, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1132,1133,1134,1136,1137,1138,
&end
#
# 37 VAL HA 37 VAL MGY 2.50 (# 1001:25 Unique 2.27, 3.27 A)
&rst
ixpk= 1001, nxpk= 25, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 0 AMB 25-2:1002 37 VAL MGY 2.50 (# 1002:25 Single Ambig)
&rst
ixpk= 1002, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 835, 594,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 61 VAL HN 72 VAL MGX 5.50 (# 1004:25 Unique 5.82, 7.42 A)
&rst
ixpk= 1004, nxpk= 25, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1113,1114,1115,1117,1118,1119,
&end
#
# 0 AMB 25-2:1012 38 LEU MDY 2.50 (# 1012:25 Single Ambig)
&rst
ixpk= 1012, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 823, 608,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 50 GLY HA- 38 LEU MDY 4.50 (# 1013:25 Unique 2.39, 5.50 A)
&rst
ixpk= 1013, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 799, 800,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 33 HIS HB+ 38 LEU MDY 5.50 (# 1014:25 Unique 2.32, 4.90 A)
&rst
ixpk= 1014, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 526, 527,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 0 AMB 25-2:1015 38 LEU MDY 2.50 (# 1015:25 Single Ambig)
&rst
ixpk= 1015, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 825, 826, 827, 610, 611,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 31 LYS HA 73 LEU MDY 4.50 (# 1017:25 Unique 2.60, 4.06 A)
&rst
ixpk= 1017, nxpk= 25, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1132,1133,1134,1136,1137,1138,
&end
#
# 66 THR HN 72 VAL MGX 4.50 (# 1019:25 Unique 3.18, 5.43 A)
&rst
ixpk= 1019, nxpk= 25, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1113,1114,1115,1117,1118,1119,
&end
#
# 0 AMB 25-2:1020 0 AMB 25-1:1020 3.50 (# 1020:25 Double Ambig)
&rst
ixpk= 1020, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1123, 481,
igr2=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
1118,1119, 596, 597, 598, 600, 601, 602,
&end
#
# 72 VAL HN 72 VAL MGX 2.50 (# 1021:25 Unique 2.11, 3.74 A)
&rst
ixpk= 1021, nxpk= 25, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1113,1114,1115,1117,1118,1119,
&end
#
# 65 TYR HN 72 VAL MGX 4.50 (# 1022:25 Unique 3.58, 5.67 A)
&rst
ixpk= 1022, nxpk= 25, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1113,1114,1115,1117,1118,1119,
&end
#
# 75 TYR HD 72 VAL MGX 4.50 (# 1024:25 Unique 3.89, 6.80 A)
&rst
ixpk= 1024, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1165,1174,
igr2=1113,1114,1115,1117,1118,1119,
&end
#
# 65 TYR HA 72 VAL MGX 3.50 (# 1025:25 Unique 2.43, 5.00 A)
&rst
ixpk= 1025, nxpk= 25, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1113,1114,1115,1117,1118,1119,
&end
#
# 64 ARG HA 0 AMB 25-1:1026 4.50 (# 1026:25 Single Ambig)
&rst
ixpk= 1026, nxpk= 25, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 596, 597, 598, 600, 601, 602,1113,1114,1115,1117,
1118,1119,
&end
#
# 73 LEU HA 73 LEU MDY 2.50 (# 1027:25 Unique 2.18, 3.82 A)
&rst
ixpk= 1027, nxpk= 25, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1132,1133,1134,1136,1137,1138,
&end
#
# 72 VAL HA 72 VAL MGX 2.50 (# 1030:25 Unique 2.42, 3.20 A)
&rst
ixpk= 1030, nxpk= 25, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1113,1114,1115,1117,1118,1119,
&end
#
# 0 AMB 25-2:1032 0 AMB 25-1:1032 4.50 (# 1032:25 Double Ambig)
&rst
ixpk= 1032, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1096,1097,1096,1097,
igr2=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
1118,1119,
&end
#
# 0 AMB 25-2:1033 0 AMB 25-1:1033 2.50 (# 1033:25 Double Ambig)
&rst
ixpk= 1033, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1111,1130,
igr2= 596, 597, 598, 600, 601, 602,1132,1133,1134,1136,
1137,1138,1113,1114,1115,1117,1118,1119,
&end
#
# 40 ALA HN 30 LEU MDX 4.50 (# 1034:25 Unique 2.93, 5.18 A)
&rst
ixpk= 1034, nxpk= 25, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 471, 472, 473, 475, 476, 477,
&end
#
# 31 LYS HN 30 LEU MDX 4.50 (# 1035:25 Unique 3.40, 5.25 A)
&rst
ixpk= 1035, nxpk= 25, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 471, 472, 473, 475, 476, 477,
&end
#
# 30 LEU HN 30 LEU MDX 3.50 (# 1036:25 Unique 3.02, 4.83 A)
&rst
ixpk= 1036, nxpk= 25, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 471, 472, 473, 475, 476, 477,
&end
#
# 88 PHE HD 30 LEU MDX 4.50 (# 1037:25 Unique 4.47, 7.51 A)
&rst
ixpk= 1037, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1369,1377,
igr2= 471, 472, 473, 475, 476, 477,
&end
#
# 29 LEU HA 30 LEU MDX 4.50 (# 1039:25 Unique 2.73, 5.41 A)
&rst
ixpk= 1039, nxpk= 25, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 471, 472, 473, 475, 476, 477,
&end
#
# 39 VAL HA 30 LEU MDX 2.50 (# 1040:25 Unique 2.09, 4.11 A)
&rst
ixpk= 1040, nxpk= 25, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 471, 472, 473, 475, 476, 477,
&end
#
# 39 VAL HB 30 LEU MDX 4.50 (# 1041:25 Unique 4.60, 6.58 A)
&rst
ixpk= 1041, nxpk= 25, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 471, 472, 473, 475, 476, 477,
&end
#
# 30 LEU HB+ 30 LEU MDX 2.50 (# 1042:25 Unique 2.37, 3.37 A)
&rst
ixpk= 1042, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 466, 467,
igr2= 471, 472, 473, 475, 476, 477,
&end
#
# 0 AMB 25-2:1043 30 LEU MDX 4.50 (# 1043:25 Single Ambig)
&rst
ixpk= 1043, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 645, 646, 647, 610, 611,
igr2= 471, 472, 473, 475, 476, 477,
&end
#
# 30 LEU HB- 30 LEU MDX 2.50 (# 1044:25 Unique 2.37, 3.37 A)
&rst
ixpk= 1044, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 466, 467,
igr2= 471, 472, 473, 475, 476, 477,
&end
#
# 86 ILE MG2 30 LEU MDX 5.50 (# 1045:25 Unique 3.30, 6.25 A)
&rst
ixpk= 1045, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1324,1325,1326,
igr2= 471, 472, 473, 475, 476, 477,
&end
#
# 10 ASP HN 9 LEU MDX 4.50 (# 1049:25 Unique 2.08, 4.71 A)
&rst
ixpk= 1049, nxpk= 25, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 139, 140, 141, 143, 144, 145,
&end
#
# 0 AMB 25-2:1052 9 LEU MDX 2.50 (# 1052:25 Single Ambig)
&rst
ixpk= 1052, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 134, 135, 137,
igr2= 139, 140, 141, 143, 144, 145,
&end
#
# 9 LEU HA 9 LEU MDX 3.50 (# 1056:25 Unique 2.15, 3.85 A)
&rst
ixpk= 1056, nxpk= 25, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 139, 140, 141, 143, 144, 145,
&end
#
# 32 LEU HA 38 LEU MDY 5.50 (# 1061:25 Unique 3.98, 6.55 A)
&rst
ixpk= 1061, nxpk= 25, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 615, 616, 617, 619, 620, 621,
&end
#
# 30 LEU HA 30 LEU MDX 3.50 (# 1063:25 Unique 2.19, 3.91 A)
&rst
ixpk= 1063, nxpk= 25, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 471, 472, 473, 475, 476, 477,
&end
#
# 76 LEU HN 76 LEU MDX 3.50 (# 1069:25 Unique 3.71, 4.51 A)
&rst
ixpk= 1069, nxpk= 25, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 0 AMB 25-2:1071 76 LEU MDX 3.50 (# 1071:25 Single Ambig)
&rst
ixpk= 1071, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 368, 373,1251,1252,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 76 LEU HA 76 LEU MDX 3.50 (# 1072:25 Unique 2.17, 3.84 A)
&rst
ixpk= 1072, nxpk= 25, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 76 LEU HG 76 LEU MDX 2.50 (# 1074:25 Unique 2.39, 2.66 A)
&rst
ixpk= 1074, nxpk= 25, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 86 ILE MG2 76 LEU MDX 3.50 (# 1075:25 Unique 3.91, 6.01 A)
&rst
ixpk= 1075, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1324,1325,1326,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 75 TYR HB- 76 LEU MDX 4.50 (# 1076:25 Unique 4.39, 6.28 A)
&rst
ixpk= 1076, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1161,1162,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 41 PHE HB- 49 VAL MGX 5.50 (# 1078:25 Unique 4.31, 6.64 A)
&rst
ixpk= 1078, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 655, 656,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 50 GLY HN 49 VAL MGX 4.50 (# 1079:25 Unique 2.63, 4.48 A)
&rst
ixpk= 1079, nxpk= 25, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 42 GLY HN 49 VAL MGX 3.50 (# 1080:25 Unique 2.31, 4.95 A)
&rst
ixpk= 1080, nxpk= 25, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 41 PHE HA 49 VAL MGX 3.50 (# 1081:25 Unique 2.16, 4.11 A)
&rst
ixpk= 1081, nxpk= 25, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 49 VAL HA 49 VAL MGX 3.50 (# 1082:25 Unique 2.31, 3.44 A)
&rst
ixpk= 1082, nxpk= 25, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 43 GLN QG 49 VAL MGX 4.50 (# 1083:25 Unique 2.39, 5.90 A)
&rst
ixpk= 1083, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 685, 686,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 78 ASN HN 76 LEU MDX 5.50 (# 1085:25 Unique 5.71, 7.51 A)
&rst
ixpk= 1085, nxpk= 25, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 39 VAL HA 49 VAL MGX 5.50 (# 1091:25 Unique 4.78, 7.14 A)
&rst
ixpk= 1091, nxpk= 25, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 49 VAL HB 49 VAL MGX 2.50 (# 1092:25 Unique 2.38, 2.66 A)
&rst
ixpk= 1092, nxpk= 25, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 0 AMB 25-2:1093 66 THR MG2 5.50 (# 1093:25 Single Ambig)
&rst
ixpk= 1093, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1107, 961,
igr2=1033,1034,1035,
&end
#
# 40 ALA HN 39 VAL MGX 5.50 (# 1094:25 Unique 2.75, 4.46 A)
&rst
ixpk= 1094, nxpk= 25, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 631, 632, 633, 635, 636, 637,
&end
#
# 0 AMB 25-2:1095 0 AMB 25-1:1095 3.50 (# 1095:25 Double Ambig)
&rst
ixpk= 1095, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1123, 821,
igr2=1113,1114,1115,1117,1118,1119, 856, 857, 858, 860,
861, 862,
&end
#
# 88 PHE HD 0 AMB 25-1:1097 3.50 (# 1097:25 Single Ambig)
&rst
ixpk= 1097, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1369,1377,
igr2= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
842, 843,
&end
#
# 52 ALA HA 0 AMB 25-1:1099 4.50 (# 1099:25 Single Ambig)
&rst
ixpk= 1099, nxpk= 25, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
842, 843,
&end
#
# 0 AMB 25-2:1100 0 AMB 25-1:1100 2.50 (# 1100:25 Double Ambig)
&rst
ixpk= 1100, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 627,1125,
igr2= 631, 632, 633, 635, 636, 637,1113,1114,1115,1117,
1118,1119,
&end
#
# 0 AMB 25-2:1101 0 AMB 25-1:1101 2.50 (# 1101:25 Double Ambig)
&rst
ixpk= 1101, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 808, 809, 833,
igr2= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
842, 843,
&end
#
# 0 AMB 25-2:1102 0 AMB 25-1:1102 4.50 (# 1102:25 Double Ambig)
&rst
ixpk= 1102, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 808, 809,1365,1366,1365,1366,
igr2= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
842, 843,
&end
#
# 39 VAL HB 39 VAL MGX 2.50 (# 1103:25 Unique 2.43, 2.67 A)
&rst
ixpk= 1103, nxpk= 25, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 631, 632, 633, 635, 636, 637,
&end
#
# 0 AMB 25-2:1104 0 AMB 25-1:1104 2.50 (# 1104:25 Double Ambig)
&rst
ixpk= 1104, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 835, 594, 949,
igr2= 837, 838, 839, 841, 842, 843,1113,1114,1115,1117,
1118,1119,
&end
#
# 86 ILE MG2 53 VAL MGX 2.50 (# 1105:25 Unique 2.32, 4.12 A)
&rst
ixpk= 1105, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1324,1325,1326,
igr2= 837, 838, 839, 841, 842, 843,
&end
#
# 0 AMB 25-2:1106 0 AMB 25-1:1106 2.50 (# 1106:25 Double Ambig)
&rst
ixpk= 1106, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 625,1381,1388,
igr2= 631, 632, 633, 635, 636, 637, 856, 857, 858, 860,
861, 862,
&end
#
# 88 PHE HA 54 LEU MDY 4.50 (# 1107:25 Unique 2.39, 4.85 A)
&rst
ixpk= 1107, nxpk= 25, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 0 AMB 25-2:1108 0 AMB 25-1:1108 3.50 (# 1108:25 Double Ambig)
&rst
ixpk= 1108, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 804, 876,
igr2= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
842, 843,
&end
#
# 65 TYR HN 61 VAL MGX 4.50 (# 1112:25 Unique 4.93, 5.97 A)
&rst
ixpk= 1112, nxpk= 25, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 951, 952, 953, 955, 956, 957,
&end
#
# 61 VAL HN 61 VAL MGX 2.50 (# 1113:25 Unique 2.18, 3.26 A)
&rst
ixpk= 1113, nxpk= 25, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 951, 952, 953, 955, 956, 957,
&end
#
# 61 VAL HA 61 VAL MGX 2.50 (# 1115:25 Unique 2.38, 3.51 A)
&rst
ixpk= 1115, nxpk= 25, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 951, 952, 953, 955, 956, 957,
&end
#
# 38 LEU MDY 52 ALA MB 2.50 (# 1119:25 Unique 2.24, 5.02 A)
&rst
ixpk= 1119, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 615, 616, 617, 619, 620, 621,
igr2= 825, 826, 827,
&end
#
# 0 AMB 25-2:1121 52 ALA MB 4.50 (# 1121:25 Single Ambig)
&rst
ixpk= 1121, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 613, 570, 571,
igr2= 825, 826, 827,
&end
#
# 22 PHE HN 21 THR MG2 4.50 (# 1122:25 Unique 2.43, 4.33 A)
&rst
ixpk= 1122, nxpk= 25, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 319, 320, 321,
&end
#
# 85 SER HA 21 THR MG2 4.50 (# 1124:25 Unique 2.63, 3.78 A)
&rst
ixpk= 1124, nxpk= 25, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 319, 320, 321,
&end
#
# 21 THR HA 21 THR MG2 3.50 (# 1125:25 Unique 2.29, 2.94 A)
&rst
ixpk= 1125, nxpk= 25, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 319, 320, 321,
&end
#
# 21 THR HB 21 THR MG2 2.50 (# 1126:25 Unique 2.42, 2.66 A)
&rst
ixpk= 1126, nxpk= 25, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 319, 320, 321,
&end
#
# 50 GLY HA- 49 VAL MGX 5.50 (# 1129:25 Unique 3.59, 5.94 A)
&rst
ixpk= 1129, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 799, 800,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 66 THR HN 66 THR MG2 3.50 (# 1131:25 Unique 2.34, 3.22 A)
&rst
ixpk= 1131, nxpk= 25, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1033,1034,1035,
&end
#
# 0 AMB 25-2:1132 66 THR MG2 3.50 (# 1132:25 Single Ambig)
&rst
ixpk= 1132, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1041,1092,
igr2=1033,1034,1035,
&end
#
# 0 AMB 25-2:1134 66 THR MG2 4.50 (# 1134:25 Single Ambig)
&rst
ixpk= 1134, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1051,1006,
igr2=1033,1034,1035,
&end
#
# 57 ASN HD2- 84 VAL MGX 4.50 (# 1135:25 Unique 1.84, 5.12 A)
&rst
ixpk= 1135, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 904, 905,
igr2=1297,1298,1299,1301,1302,1303,
&end
#
# 57 ASN HD2+ 84 VAL MGX 4.50 (# 1136:25 Unique 1.84, 5.12 A)
&rst
ixpk= 1136, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 904, 905,
igr2=1297,1298,1299,1301,1302,1303,
&end
#
# 75 TYR HD 0 AMB 25-1:1137 4.50 (# 1137:25 Single Ambig)
&rst
ixpk= 1137, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1165,1174,
igr2=1033,1034,1035,1297,1298,1299,1301,1302,1303,
&end
#
# 0 AMB 25-2:1138 84 VAL MGX 4.50 (# 1138:25 Single Ambig)
&rst
ixpk= 1138, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1167,1172, 368, 373,1251,1252,
igr2=1297,1298,1299,1301,1302,1303,
&end
#
# 65 TYR HA 66 THR MG2 4.50 (# 1140:25 Unique 3.84, 4.99 A)
&rst
ixpk= 1140, nxpk= 25, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1033,1034,1035,
&end
#
# 84 VAL HA 84 VAL MGX 3.50 (# 1141:25 Unique 2.37, 3.52 A)
&rst
ixpk= 1141, nxpk= 25, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1297,1298,1299,1301,1302,1303,
&end
#
# 0 AMB 25-2:1143 0 AMB 25-1:1143 2.50 (# 1143:25 Double Ambig)
&rst
ixpk= 1143, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1031,1029,1180,
igr2=1033,1034,1035,1297,1298,1299,1301,1302,1303,
&end
#
# 0 AMB 25-2:1144 84 VAL MGX 5.50 (# 1144:25 Single Ambig)
&rst
ixpk= 1144, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 317,1311,1312,
igr2=1297,1298,1299,1301,1302,1303,
&end
#
# 72 VAL HA 66 THR MG2 3.50 (# 1146:25 Unique 2.90, 3.83 A)
&rst
ixpk= 1146, nxpk= 25, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1033,1034,1035,
&end
#
# 0 AMB 25-2:1147 0 AMB 25-1:1147 4.50 (# 1147:25 Double Ambig)
&rst
ixpk= 1147, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 331, 332,1161,1162,
igr2=1297,1298,1299,1301,1302,1303,1033,1034,1035,
&end
#
# 0 AMB 25-2:1150 0 AMB 25-1:1150 2.50 (# 1150:25 Double Ambig)
&rst
ixpk= 1150, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1295,1074,1075,
igr2=1297,1298,1299,1301,1302,1303,1033,1034,1035,
&end
#
# 0 AMB 25-2:1151 66 THR MG2 3.50 (# 1151:25 Single Ambig)
&rst
ixpk= 1151, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 880,1077,1078,
igr2=1033,1034,1035,
&end
#
# 86 ILE MG2 84 VAL MGX 5.50 (# 1153:25 Unique 5.21, 7.72 A)
&rst
ixpk= 1153, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1324,1325,1326,
igr2=1297,1298,1299,1301,1302,1303,
&end
#
# 72 VAL HA 72 VAL MGY 2.50 (# 1154:25 Unique 2.42, 3.20 A)
&rst
ixpk= 1154, nxpk= 25, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1113,1114,1115,1117,1118,1119,
&end
#
# 0 AMB 25-2:1156 0 AMB 25-1:1156 3.50 (# 1156:25 Double Ambig)
&rst
ixpk= 1156, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36,
igr1= 986, 987, 466, 467,1392,1393,1182,1183, 466, 467,
613,
igr2=1113,1114,1115,1117,1118,1119, 837, 838, 839, 841,
842, 843, 856, 857, 858, 860, 861, 862, 631, 632,
633, 635, 636, 637,
&end
#
# 0 AMB 25-2:1157 0 AMB 25-1:1157 3.50 (# 1157:25 Double Ambig)
&rst
ixpk= 1157, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 886, 887, 870, 871, 872,
igr2= 837, 838, 839, 841, 842, 843, 856, 857, 858, 860,
861, 862,
&end
#
# 54 LEU HA 54 LEU MDY 2.50 (# 1159:25 Unique 2.14, 3.78 A)
&rst
ixpk= 1159, nxpk= 25, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 0 AMB 25-2:1160 0 AMB 25-1:1160 3.50 (# 1160:25 Double Ambig)
&rst
ixpk= 1160, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 680,1422,
igr2= 631, 632, 633, 635, 636, 637, 856, 857, 858, 860,
861, 862,
&end
#
# 0 AMB 25-2:1161 0 AMB 25-1:1161 2.50 (# 1161:25 Double Ambig)
&rst
ixpk= 1161, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 851, 852, 825, 826, 827, 986, 987,
igr2= 856, 857, 858, 860, 861, 862,1113,1114,1115,1117,
1118,1119,
&end
#
# 40 ALA HN 39 VAL MGY 4.50 (# 1164:25 Unique 2.75, 4.46 A)
&rst
ixpk= 1164, nxpk= 25, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 631, 632, 633, 635, 636, 637,
&end
#
# 39 VAL HN 39 VAL MGY 3.50 (# 1165:25 Unique 2.12, 3.80 A)
&rst
ixpk= 1165, nxpk= 25, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 631, 632, 633, 635, 636, 637,
&end
#
# 51 HIS HN 39 VAL MGY 4.50 (# 1166:25 Unique 3.53, 4.64 A)
&rst
ixpk= 1166, nxpk= 25, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 631, 632, 633, 635, 636, 637,
&end
#
# 41 PHE HN 39 VAL MGY 3.50 (# 1167:25 Unique 2.90, 4.88 A)
&rst
ixpk= 1167, nxpk= 25, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 631, 632, 633, 635, 636, 637,
&end
#
# 39 VAL HA 39 VAL MGY 3.50 (# 1169:25 Unique 2.47, 3.15 A)
&rst
ixpk= 1169, nxpk= 25, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 631, 632, 633, 635, 636, 637,
&end
#
# 0 AMB 25-2:1170 39 VAL MGY 2.50 (# 1170:25 Single Ambig)
&rst
ixpk= 1170, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 783, 808, 809,
igr2= 631, 632, 633, 635, 636, 637,
&end
#
# 39 VAL HB 39 VAL MGY 2.50 (# 1171:25 Unique 2.43, 2.67 A)
&rst
ixpk= 1171, nxpk= 25, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 631, 632, 633, 635, 636, 637,
&end
#
# 52 ALA HN 52 ALA MB 3.50 (# 1174:25 Unique 2.35, 3.04 A)
&rst
ixpk= 1174, nxpk= 25, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 825, 826, 827,
&end
#
# 0 AMB 25-2:1175 52 ALA MB 4.50 (# 1175:25 Single Ambig)
&rst
ixpk= 1175, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1381,1388, 625,
igr2= 825, 826, 827,
&end
#
# 52 ALA HA 52 ALA MB 2.50 (# 1177:25 Unique 2.44, 2.67 A)
&rst
ixpk= 1177, nxpk= 25, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 825, 826, 827,
&end
#
# 0 AMB 25-2:1178 52 ALA MB 4.50 (# 1178:25 Single Ambig)
&rst
ixpk= 1178, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1390, 806, 849,
igr2= 825, 826, 827,
&end
#
# 91 PRO HA 52 ALA MB 4.50 (# 1179:25 Unique 2.11, 3.10 A)
&rst
ixpk= 1179, nxpk= 25, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 825, 826, 827,
&end
#
# 58 GLY HN 55 ALA MB 3.50 (# 1184:25 Unique 3.18, 4.21 A)
&rst
ixpk= 1184, nxpk= 25, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 870, 871, 872,
&end
#
# 60 ASP HN 55 ALA MB 3.50 (# 1185:25 Unique 3.78, 4.51 A)
&rst
ixpk= 1185, nxpk= 25, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 870, 871, 872,
&end
#
# 56 ILE HN 55 ALA MB 2.50 (# 1186:25 Unique 2.55, 3.38 A)
&rst
ixpk= 1186, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 870, 871, 872,
&end
#
# 0 AMB 25-2:1187 55 ALA MB 3.50 (# 1187:25 Single Ambig)
&rst
ixpk= 1187, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 866, 945,
igr2= 870, 871, 872,
&end
#
# 60 ASP HA 55 ALA MB 2.50 (# 1190:25 Unique 2.22, 3.09 A)
&rst
ixpk= 1190, nxpk= 25, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 870, 871, 872,
&end
#
# 58 GLY HA+ 55 ALA MB 3.50 (# 1191:25 Unique 3.16, 4.95 A)
&rst
ixpk= 1191, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 911, 912,
igr2= 870, 871, 872,
&end
#
# 60 ASP HB+ 55 ALA MB 4.50 (# 1194:25 Unique 3.45, 5.09 A)
&rst
ixpk= 1194, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 937, 938,
igr2= 870, 871, 872,
&end
#
# 0 AMB 25-2:1196 55 ALA MB 3.50 (# 1196:25 Single Ambig)
&rst
ixpk= 1196, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 856, 857, 858, 860, 861, 862, 951, 952, 953, 955,
956, 957, 886, 887,
igr2= 870, 871, 872,
&end
#
# 86 ILE MG2 55 ALA MB 5.50 (# 1198:25 Unique 5.55, 7.04 A)
&rst
ixpk= 1198, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1324,1325,1326,
igr2= 870, 871, 872,
&end
#
# 0 AMB 25-2:1201 84 VAL MGX 3.50 (# 1201:25 Single Ambig)
&rst
ixpk= 1201, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1307, 347,
igr2=1297,1298,1299,1301,1302,1303,
&end
#
# 0 AMB 25-2:1213 94 THR MG2 3.50 (# 1213:25 Single Ambig)
&rst
ixpk= 1213, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1471,1452,
igr2=1475,1476,1477,
&end
#
# 94 THR HB 94 THR MG2 2.50 (# 1214:25 Unique 2.38, 2.66 A)
&rst
ixpk= 1214, nxpk= 25, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1475,1476,1477,
&end
#
# 0 AMB 25-2:1221 37 VAL MGX 3.50 (# 1221:25 Single Ambig)
&rst
ixpk= 1221, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 606,1107,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 37 VAL HN 37 VAL MGX 3.50 (# 1222:25 Unique 2.00, 3.81 A)
&rst
ixpk= 1222, nxpk= 25, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 37 VAL HA 37 VAL MGX 2.50 (# 1223:25 Unique 2.27, 3.27 A)
&rst
ixpk= 1223, nxpk= 25, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 64 ARG HA 37 VAL MGX 3.50 (# 1224:25 Unique 2.07, 4.07 A)
&rst
ixpk= 1224, nxpk= 25, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 0 AMB 25-2:1225 0 AMB 25-1:1225 5.50 (# 1225:25 Double Ambig)
&rst
ixpk= 1225, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1125,1278,1279,
igr2= 596, 597, 598, 600, 601, 602,1297,1298,1299,1301,
1302,1303,
&end
#
# 0 AMB 25-2:1226 37 VAL MGX 2.50 (# 1226:25 Single Ambig)
&rst
ixpk= 1226, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 835, 594,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 0 AMB 25-2:1227 37 VAL MGX 2.50 (# 1227:25 Single Ambig)
&rst
ixpk= 1227, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1111,1130,
igr2= 596, 597, 598, 600, 601, 602,
&end
#
# 54 LEU HN 53 VAL MGY 3.50 (# 1228:25 Unique 2.53, 4.10 A)
&rst
ixpk= 1228, nxpk= 25, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 837, 838, 839, 841, 842, 843,
&end
#
# 55 ALA HN 53 VAL MGY 3.50 (# 1229:25 Unique 2.79, 4.84 A)
&rst
ixpk= 1229, nxpk= 25, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 837, 838, 839, 841, 842, 843,
&end
#
# 0 AMB 25-2:1230 53 VAL MGY 4.50 (# 1230:25 Single Ambig)
&rst
ixpk= 1230, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 849, 878,
igr2= 837, 838, 839, 841, 842, 843,
&end
#
# 53 VAL HA 53 VAL MGY 2.50 (# 1231:25 Unique 2.45, 3.24 A)
&rst
ixpk= 1231, nxpk= 25, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 837, 838, 839, 841, 842, 843,
&end
#
# 0 AMB 25-2:1232 53 VAL MGY 2.50 (# 1232:25 Single Ambig)
&rst
ixpk= 1232, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 835, 594,
igr2= 837, 838, 839, 841, 842, 843,
&end
#
# 56 ILE HG1+ 53 VAL MGY 3.50 (# 1233:25 Unique 2.34, 4.35 A)
&rst
ixpk= 1233, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 886, 887,
igr2= 837, 838, 839, 841, 842, 843,
&end
#
# 86 ILE MG2 53 VAL MGY 2.50 (# 1235:25 Unique 2.32, 4.12 A)
&rst
ixpk= 1235, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1324,1325,1326,
igr2= 837, 838, 839, 841, 842, 843,
&end
#
# 41 PHE HB+ 40 ALA MB 4.50 (# 1237:25 Unique 3.41, 5.00 A)
&rst
ixpk= 1237, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 655, 656,
igr2= 645, 646, 647,
&end
#
# 88 PHE HD 53 VAL MGY 4.50 (# 1242:25 Unique 2.99, 6.34 A)
&rst
ixpk= 1242, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1369,1377,
igr2= 837, 838, 839, 841, 842, 843,
&end
#
# 40 ALA HN 40 ALA MB 2.50 (# 1246:25 Unique 2.47, 2.98 A)
&rst
ixpk= 1246, nxpk= 25, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 645, 646, 647,
&end
#
# 31 LYS HN 40 ALA MB 4.50 (# 1247:25 Unique 2.80, 4.22 A)
&rst
ixpk= 1247, nxpk= 25, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 645, 646, 647,
&end
#
# 30 LEU HN 40 ALA MB 5.50 (# 1248:25 Unique 3.39, 4.30 A)
&rst
ixpk= 1248, nxpk= 25, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 645, 646, 647,
&end
#
# 41 PHE HN 40 ALA MB 3.50 (# 1249:25 Unique 2.47, 3.41 A)
&rst
ixpk= 1249, nxpk= 25, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 645, 646, 647,
&end
#
# 30 LEU HA 40 ALA MB 3.50 (# 1250:25 Unique 2.52, 3.72 A)
&rst
ixpk= 1250, nxpk= 25, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 645, 646, 647,
&end
#
# 40 ALA HA 40 ALA MB 2.50 (# 1251:25 Unique 2.41, 2.68 A)
&rst
ixpk= 1251, nxpk= 25, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 645, 646, 647,
&end
#
# 31 LYS QE 40 ALA MB 4.50 (# 1252:25 Unique 4.11, 5.83 A)
&rst
ixpk= 1252, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 494, 495,
igr2= 645, 646, 647,
&end
#
# 0 AMB 25-2:1253 40 ALA MB 2.50 (# 1253:25 Single Ambig)
&rst
ixpk= 1253, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 491, 492, 485, 486, 447, 448,
igr2= 645, 646, 647,
&end
#
# 0 AMB 25-2:1254 40 ALA MB 4.50 (# 1254:25 Single Ambig)
&rst
ixpk= 1254, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
792, 793,
igr2= 645, 646, 647,
&end
#
# 0 AMB 25-2:1255 40 ALA MB 4.50 (# 1255:25 Single Ambig)
&rst
ixpk= 1255, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 471, 472, 473, 475, 476, 477, 469,
igr2= 645, 646, 647,
&end
#
# 39 VAL HA 40 ALA MB 4.50 (# 1256:25 Unique 4.23, 4.94 A)
&rst
ixpk= 1256, nxpk= 25, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 645, 646, 647,
&end
#
# 43 GLN HA 49 VAL MGY 4.50 (# 1257:25 Unique 2.61, 6.01 A)
&rst
ixpk= 1257, nxpk= 25, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 40 ALA MB 49 VAL MGY 4.50 (# 1259:25 Unique 4.61, 7.57 A)
&rst
ixpk= 1259, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 645, 646, 647,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 50 GLY HN 49 VAL MGY 3.50 (# 1260:25 Unique 2.63, 4.48 A)
&rst
ixpk= 1260, nxpk= 25, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 51 HIS HN 49 VAL MGY 5.50 (# 1261:25 Unique 5.07, 6.13 A)
&rst
ixpk= 1261, nxpk= 25, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 42 GLY HN 49 VAL MGY 4.50 (# 1263:25 Unique 2.31, 4.95 A)
&rst
ixpk= 1263, nxpk= 25, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 40 ALA HA 49 VAL MGY 3.50 (# 1264:25 Unique 2.30, 5.62 A)
&rst
ixpk= 1264, nxpk= 25, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 49 VAL HA 49 VAL MGY 3.50 (# 1265:25 Unique 2.31, 3.44 A)
&rst
ixpk= 1265, nxpk= 25, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 41 PHE HB+ 49 VAL MGY 5.50 (# 1266:25 Unique 4.31, 6.64 A)
&rst
ixpk= 1266, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 655, 656,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 43 GLN QG 49 VAL MGY 4.50 (# 1267:25 Unique 2.39, 5.90 A)
&rst
ixpk= 1267, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 685, 686,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 49 VAL HB 49 VAL MGY 2.50 (# 1268:25 Unique 2.38, 2.66 A)
&rst
ixpk= 1268, nxpk= 25, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 62 ASN HN 61 VAL MGY 4.50 (# 1270:25 Unique 3.62, 4.72 A)
&rst
ixpk= 1270, nxpk= 25, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 951, 952, 953, 955, 956, 957,
&end
#
# 56 ILE HN 61 VAL MGY 4.50 (# 1271:25 Unique 2.78, 4.73 A)
&rst
ixpk= 1271, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 951, 952, 953, 955, 956, 957,
&end
#
# 61 VAL HN 61 VAL MGY 2.50 (# 1272:25 Unique 2.18, 3.26 A)
&rst
ixpk= 1272, nxpk= 25, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 951, 952, 953, 955, 956, 957,
&end
#
# 66 THR HA 61 VAL MGY 3.50 (# 1273:25 Unique 2.20, 4.49 A)
&rst
ixpk= 1273, nxpk= 25, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 951, 952, 953, 955, 956, 957,
&end
#
# 0 AMB 25-2:1274 61 VAL MGY 3.50 (# 1274:25 Single Ambig)
&rst
ixpk= 1274, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 947, 977, 978,
igr2= 951, 952, 953, 955, 956, 957,
&end
#
# 0 AMB 25-2:1275 61 VAL MGY 2.50 (# 1275:25 Single Ambig)
&rst
ixpk= 1275, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 949, 835,
igr2= 951, 952, 953, 955, 956, 957,
&end
#
# 56 ILE HG1+ 61 VAL MGY 3.50 (# 1276:25 Unique 2.42, 4.69 A)
&rst
ixpk= 1276, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 886, 887,
igr2= 951, 952, 953, 955, 956, 957,
&end
#
# 75 TYR HD 84 VAL MGY 4.50 (# 1277:25 Unique 3.81, 7.39 A)
&rst
ixpk= 1277, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1165,1174,
igr2=1297,1298,1299,1301,1302,1303,
&end
#
# 76 LEU HA 84 VAL MGY 4.50 (# 1278:25 Unique 3.41, 5.20 A)
&rst
ixpk= 1278, nxpk= 25, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1297,1298,1299,1301,1302,1303,
&end
#
# 81 ASN HB+ 84 VAL MGY 5.50 (# 1279:25 Unique 2.42, 6.01 A)
&rst
ixpk= 1279, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1246,1247,
igr2=1297,1298,1299,1301,1302,1303,
&end
#
# 84 VAL HB 84 VAL MGY 2.50 (# 1280:25 Unique 2.35, 2.64 A)
&rst
ixpk= 1280, nxpk= 25, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1297,1298,1299,1301,1302,1303,
&end
#
# 63 GLY HN 61 VAL MGY 5.50 (# 1282:25 Unique 2.70, 5.24 A)
&rst
ixpk= 1282, nxpk= 25, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 951, 952, 953, 955, 956, 957,
&end
#
# 54 LEU HA 61 VAL MGY 3.50 (# 1284:25 Unique 2.60, 4.66 A)
&rst
ixpk= 1284, nxpk= 25, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 951, 952, 953, 955, 956, 957,
&end
#
# 0 AMB 25-2:1285 84 VAL MGY 3.50 (# 1285:25 Single Ambig)
&rst
ixpk= 1285, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1307, 347,
igr2=1297,1298,1299,1301,1302,1303,
&end
#
# 0 AMB 25-2:1287 84 VAL MGY 2.50 (# 1287:25 Single Ambig)
&rst
ixpk= 1287, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1167,1172, 368, 373,1251,1252,
igr2=1297,1298,1299,1301,1302,1303,
&end
#
# 84 VAL HA 84 VAL MGY 3.50 (# 1289:25 Unique 2.37, 3.52 A)
&rst
ixpk= 1289, nxpk= 25, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1297,1298,1299,1301,1302,1303,
&end
#
# 82 TYR HA 84 VAL MGY 3.50 (# 1290:25 Unique 3.40, 5.14 A)
&rst
ixpk= 1290, nxpk= 25, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1297,1298,1299,1301,1302,1303,
&end
#
# 0 AMB 25-2:1294 16 ALA MB 3.50 (# 1294:25 Single Ambig)
&rst
ixpk= 1294, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 251, 241,
igr2= 245, 246, 247,
&end
#
# 0 AMB 25-2:1295 16 ALA MB 5.50 (# 1295:25 Single Ambig)
&rst
ixpk= 1295, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 253,1390,
igr2= 245, 246, 247,
&end
#
# 16 ALA HA 16 ALA MB 2.50 (# 1296:25 Unique 2.37, 2.67 A)
&rst
ixpk= 1296, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 245, 246, 247,
&end
#
# 17 GLU QG 16 ALA MB 4.50 (# 1299:25 Unique 2.54, 5.57 A)
&rst
ixpk= 1299, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 258, 259,
igr2= 245, 246, 247,
&end
#
# 67 ALA HN 67 ALA MB 2.50 (# 1308:25 Unique 2.39, 2.82 A)
&rst
ixpk= 1308, nxpk= 25, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1045,1046,1047,
&end
#
# 60 ASP HN 67 ALA MB 4.50 (# 1309:25 Unique 3.12, 4.58 A)
&rst
ixpk= 1309, nxpk= 25, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1045,1046,1047,
&end
#
# 68 ASP HN 67 ALA MB 3.50 (# 1311:25 Unique 2.58, 3.40 A)
&rst
ixpk= 1311, nxpk= 25, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1045,1046,1047,
&end
#
# 0 AMB 25-2:1312 67 ALA MB 4.50 (# 1312:25 Single Ambig)
&rst
ixpk= 1312, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1053, 935,
igr2=1045,1046,1047,
&end
#
# 0 AMB 25-2:1313 67 ALA MB 3.50 (# 1313:25 Single Ambig)
&rst
ixpk= 1313, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1031,1029,
igr2=1045,1046,1047,
&end
#
# 67 ALA HA 67 ALA MB 2.50 (# 1314:25 Unique 2.46, 2.67 A)
&rst
ixpk= 1314, nxpk= 25, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1045,1046,1047,
&end
#
# 0 AMB 25-2:1315 67 ALA MB 3.50 (# 1315:25 Single Ambig)
&rst
ixpk= 1315, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 923, 924, 937, 938,
igr2=1045,1046,1047,
&end
#
# 59 MET HB- 67 ALA MB 2.50 (# 1317:25 Unique 2.32, 3.76 A)
&rst
ixpk= 1317, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 920, 921,
igr2=1045,1046,1047,
&end
#
# 88 PHE HD 86 ILE MG2 3.50 (# 1321:25 Unique 2.27, 5.04 A)
&rst
ixpk= 1321, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1369,1377,
igr2=1324,1325,1326,
&end
#
# 86 ILE HA 86 ILE MG2 3.50 (# 1322:25 Unique 2.44, 3.08 A)
&rst
ixpk= 1322, nxpk= 25, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1324,1325,1326,
&end
#
# 0 AMB 25-2:1323 86 ILE MG2 2.50 (# 1323:25 Single Ambig)
&rst
ixpk= 1323, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1322,1328,1329,
igr2=1324,1325,1326,
&end
#
# 0 AMB 25-2:1324 86 ILE MG2 2.50 (# 1324:25 Single Ambig)
&rst
ixpk= 1324, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1331,1332,1333, 837, 838, 839, 841, 842, 843, 471,
472, 473, 475, 476, 477,
igr2=1324,1325,1326,
&end
#
# 13 ALA HN 13 ALA MB 3.50 (# 1328:25 Unique 2.44, 3.22 A)
&rst
ixpk= 1328, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 197, 198, 199,
&end
#
# 13 ALA HA 13 ALA MB 2.50 (# 1329:25 Unique 2.42, 2.67 A)
&rst
ixpk= 1329, nxpk= 25, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 197, 198, 199,
&end
#
# 0 AMB 25-2:1331 13 ALA MB 2.50 (# 1331:25 Single Ambig)
&rst
ixpk= 1331, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 204, 205, 204, 205,
igr2= 197, 198, 199,
&end
#
# 80 ALA HN 80 ALA MB 2.50 (# 1337:25 Unique 2.50, 2.89 A)
&rst
ixpk= 1337, nxpk= 25, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1236,1237,1238,
&end
#
# 82 TYR HN 80 ALA MB 5.50 (# 1338:25 Unique 5.29, 5.68 A)
&rst
ixpk= 1338, nxpk= 25, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1236,1237,1238,
&end
#
# 78 ASN HD2- 80 ALA MB 4.50 (# 1339:25 Unique 2.05, 3.98 A)
&rst
ixpk= 1339, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1213,1214,
igr2=1236,1237,1238,
&end
#
# 80 ALA HA 80 ALA MB 2.50 (# 1340:25 Unique 2.43, 2.67 A)
&rst
ixpk= 1340, nxpk= 25, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1236,1237,1238,
&end
#
# 0 AMB 25-2:1341 80 ALA MB 5.50 (# 1341:25 Single Ambig)
&rst
ixpk= 1341, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1219,1220,1278,1279,
igr2=1236,1237,1238,
&end
#
# 79 PRO HG+ 80 ALA MB 4.50 (# 1342:25 Unique 4.05, 6.09 A)
&rst
ixpk= 1342, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1222,1223,
igr2=1236,1237,1238,
&end
#
# 57 ASN HN 56 ILE MG2 3.50 (# 1351:25 Unique 2.63, 3.31 A)
&rst
ixpk= 1351, nxpk= 25, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 882, 883, 884,
&end
#
# 85 SER HN 56 ILE MG2 5.50 (# 1352:25 Unique 3.65, 4.79 A)
&rst
ixpk= 1352, nxpk= 25, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 882, 883, 884,
&end
#
# 56 ILE HN 56 ILE MG2 4.50 (# 1353:25 Unique 4.33, 4.77 A)
&rst
ixpk= 1353, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 882, 883, 884,
&end
#
# 57 ASN HD2+ 56 ILE MG2 4.50 (# 1354:25 Unique 2.19, 4.08 A)
&rst
ixpk= 1354, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 904, 905,
igr2= 882, 883, 884,
&end
#
# 75 TYR HD 56 ILE MG2 3.50 (# 1355:25 Unique 2.50, 5.67 A)
&rst
ixpk= 1355, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1165,1174,
igr2= 882, 883, 884,
&end
#
# 75 TYR HE 56 ILE MG2 4.50 (# 1356:25 Unique 2.34, 5.13 A)
&rst
ixpk= 1356, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1167,1172,
igr2= 882, 883, 884,
&end
#
# 86 ILE HA 56 ILE MG2 4.50 (# 1357:25 Unique 3.59, 4.68 A)
&rst
ixpk= 1357, nxpk= 25, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 882, 883, 884,
&end
#
# 56 ILE HA 56 ILE MG2 2.50 (# 1358:25 Unique 2.46, 3.12 A)
&rst
ixpk= 1358, nxpk= 25, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 882, 883, 884,
&end
#
# 57 ASN HB+ 56 ILE MG2 4.50 (# 1359:25 Unique 2.88, 4.80 A)
&rst
ixpk= 1359, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 899, 900,
igr2= 882, 883, 884,
&end
#
# 57 ASN HB- 56 ILE MG2 3.50 (# 1360:25 Unique 2.88, 4.80 A)
&rst
ixpk= 1360, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 899, 900,
igr2= 882, 883, 884,
&end
#
# 84 VAL HB 56 ILE MG2 3.50 (# 1361:25 Unique 2.37, 3.27 A)
&rst
ixpk= 1361, nxpk= 25, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 882, 883, 884,
&end
#
# 56 ILE HB 56 ILE MG2 2.50 (# 1362:25 Unique 2.43, 2.68 A)
&rst
ixpk= 1362, nxpk= 25, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 882, 883, 884,
&end
#
# 56 ILE HG1+ 56 ILE MG2 2.50 (# 1363:25 Unique 2.49, 3.53 A)
&rst
ixpk= 1363, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 886, 887,
igr2= 882, 883, 884,
&end
#
# 86 ILE MG2 56 ILE MG2 4.50 (# 1364:25 Unique 3.59, 5.87 A)
&rst
ixpk= 1364, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1324,1325,1326,
igr2= 882, 883, 884,
&end
#
# 57 ASN HD2- 56 ILE MG2 3.50 (# 1371:25 Unique 2.19, 4.08 A)
&rst
ixpk= 1371, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 904, 905,
igr2= 882, 883, 884,
&end
#
# 56 ILE HN 56 ILE MD1 4.50 (# 1400:25 Unique 4.45, 5.19 A)
&rst
ixpk= 1400, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 889, 890, 891,
&end
#
# 75 TYR HD 56 ILE MD1 3.50 (# 1401:25 Unique 2.61, 5.61 A)
&rst
ixpk= 1401, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1165,1174,
igr2= 889, 890, 891,
&end
#
# 0 AMB 25-2:1402 0 AMB 25-1:1402 3.50 (# 1402:25 Double Ambig)
&rst
ixpk= 1402, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 368, 373,1167,1172,
igr2=1331,1332,1333, 889, 890, 891,
&end
#
# 86 ILE HA 86 ILE MD1 4.50 (# 1403:25 Unique 2.49, 4.62 A)
&rst
ixpk= 1403, nxpk= 25, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1331,1332,1333,
&end
#
# 56 ILE HA 86 ILE MD1 4.50 (# 1404:25 Unique 2.69, 5.51 A)
&rst
ixpk= 1404, nxpk= 25, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1331,1332,1333,
&end
#
# 0 AMB 25-2:1405 0 AMB 25-1:1405 4.50 (# 1405:25 Double Ambig)
&rst
ixpk= 1405, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1029,1180,1031,
igr2= 889, 890, 891,1331,1332,1333,
&end
#
# 72 VAL HA 56 ILE MD1 3.50 (# 1406:25 Unique 3.40, 4.19 A)
&rst
ixpk= 1406, nxpk= 25, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 889, 890, 891,
&end
#
# 22 PHE HB- 86 ILE MD1 4.50 (# 1407:25 Unique 2.62, 4.15 A)
&rst
ixpk= 1407, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 331, 332,
igr2=1331,1332,1333,
&end
#
# 76 LEU HG 56 ILE MD1 2.50 (# 1408:25 Unique 2.32, 3.36 A)
&rst
ixpk= 1408, nxpk= 25, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 889, 890, 891,
&end
#
# 56 ILE HB 56 ILE MD1 2.50 (# 1409:25 Unique 2.40, 3.12 A)
&rst
ixpk= 1409, nxpk= 25, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 889, 890, 891,
&end
#
# 0 AMB 25-2:1410 0 AMB 25-1:1410 2.50 (# 1410:25 Double Ambig)
&rst
ixpk= 1410, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 886, 887, 886, 887,
igr2=1331,1332,1333, 889, 890, 891,
&end
#
# 22 PHE HE 86 ILE MD1 4.50 (# 1412:25 Unique 3.13, 6.03 A)
&rst
ixpk= 1412, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 337, 341,
igr2=1331,1332,1333,
&end
#
# 0 AMB 25-2:1414 0 AMB 25-1:1414 2.50 (# 1414:25 Double Ambig)
&rst
ixpk= 1414, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1111,1328,1329,1322,
igr2= 889, 890, 891,1331,1332,1333,
&end
#
# 86 ILE MG2 86 ILE MD1 2.50 (# 1415:25 Unique 2.22, 3.67 A)
&rst
ixpk= 1415, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1324,1325,1326,
igr2=1331,1332,1333,
&end
#
# 21 THR MG2 21 THR HA 4.50 (# 1429:25 Unique 2.29, 2.94 A)
&rst
ixpk= 1429, nxpk= 25, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 319, 320, 321,
&end
#
# 22 PHE HN 21 THR HA 4.50 (# 1431:25 Unique 2.17, 2.26 A)
&rst
ixpk= 1431, nxpk= 25, iat= 327, 315, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 THR HN 65 TYR HA 2.50 (# 1433:25 Unique 2.32, 2.39 A)
&rst
ixpk= 1433, nxpk= 25, iat=1027,1008, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 72 VAL HN 65 TYR HA 3.50 (# 1434:25 Unique 2.56, 2.72 A)
&rst
ixpk= 1434, nxpk= 25, iat=1107,1008, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 TYR HN 65 TYR HA 3.50 (# 1435:25 Unique 2.97, 2.98 A)
&rst
ixpk= 1435, nxpk= 25, iat=1006,1008, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 TYR HD 65 TYR HA 3.50 (# 1436:25 Unique 2.45, 3.57 A)
&rst
ixpk= 1436, nxpk= 25, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1014,1023,
&end
#
# 71 GLU HA 65 TYR HA 3.50 (# 1437:25 Unique 2.26, 2.40 A)
&rst
ixpk= 1437, nxpk= 25, iat=1094,1008, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 TYR HB+ 65 TYR HA 3.50 (# 1438:25 Unique 2.37, 2.72 A)
&rst
ixpk= 1438, nxpk= 25, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1010,1011,
&end
#
# 0 AMB 25-2:1439 65 TYR HA 4.50 (# 1439:25 Single Ambig)
&rst
ixpk= 1439, nxpk= 25, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
1118,1119,
&end
#
# 65 TYR HB- 65 TYR HA 3.50 (# 1440:25 Unique 2.37, 2.72 A)
&rst
ixpk= 1440, nxpk= 25, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1010,1011,
&end
#
# 84 VAL MGX 85 SER HA 7.00 (# 1441:25 Unique 3.95, 6.02 A)
&rst
ixpk= 1441, nxpk= 25, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1297,1298,1299,1301,1302,1303,
&end
#
# 85 SER HN 85 SER HA 3.50 (# 1442:25 Unique 2.92, 2.97 A)
&rst
ixpk= 1442, nxpk= 25, iat=1307,1309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 THR HA 85 SER HA 3.50 (# 1443:25 Unique 1.95, 2.06 A)
&rst
ixpk= 1443, nxpk= 25, iat= 315,1309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:1444 85 SER HA 3.50 (# 1444:25 Single Ambig)
&rst
ixpk= 1444, nxpk= 25, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1311,1312,1311,1312,
&end
#
# 86 ILE HN 85 SER HA 2.50 (# 1445:25 Unique 2.22, 2.29 A)
&rst
ixpk= 1445, nxpk= 25, iat=1318,1309, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 54 LEU HN 88 PHE HA 3.50 (# 1447:25 Unique 2.38, 2.56 A)
&rst
ixpk= 1447, nxpk= 25, iat= 847,1363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 GLY HN 88 PHE HA 3.50 (# 1448:25 Unique 2.32, 2.43 A)
&rst
ixpk= 1448, nxpk= 25, iat=1381,1363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 PHE HD 88 PHE HA 4.50 (# 1449:25 Unique 2.69, 3.94 A)
&rst
ixpk= 1449, nxpk= 25, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1369,1377,
&end
#
# 53 VAL HA 88 PHE HA 3.50 (# 1450:25 Unique 2.14, 2.43 A)
&rst
ixpk= 1450, nxpk= 25, iat= 833,1363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 PHE HB+ 88 PHE HA 3.50 (# 1451:25 Unique 2.31, 2.61 A)
&rst
ixpk= 1451, nxpk= 25, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1365,1366,
&end
#
# 88 PHE HB- 88 PHE HA 3.50 (# 1452:25 Unique 2.31, 2.61 A)
&rst
ixpk= 1452, nxpk= 25, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1365,1366,
&end
#
# 54 LEU MDY 88 PHE HA 3.50 (# 1454:25 Unique 2.39, 4.85 A)
&rst
ixpk= 1454, nxpk= 25, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 40 ALA MB 30 LEU HA 4.50 (# 1459:25 Unique 2.52, 3.72 A)
&rst
ixpk= 1459, nxpk= 25, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 645, 646, 647,
&end
#
# 31 LYS HN 30 LEU HA 2.50 (# 1460:25 Unique 2.28, 2.38 A)
&rst
ixpk= 1460, nxpk= 25, iat= 481, 464, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 30 LEU HN 30 LEU HA 3.50 (# 1461:25 Unique 2.92, 2.96 A)
&rst
ixpk= 1461, nxpk= 25, iat= 462, 464, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 VAL HA 30 LEU HA 3.50 (# 1462:25 Unique 2.33, 2.54 A)
&rst
ixpk= 1462, nxpk= 25, iat= 627, 464, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:1463 30 LEU HA 3.50 (# 1463:25 Single Ambig)
&rst
ixpk= 1463, nxpk= 25, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 466, 467, 491, 492,
&end
#
# 30 LEU HB- 30 LEU HA 4.50 (# 1464:25 Unique 2.41, 2.78 A)
&rst
ixpk= 1464, nxpk= 25, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 466, 467,
&end
#
# 0 AMB 25-2:1465 30 LEU HA 2.50 (# 1465:25 Single Ambig)
&rst
ixpk= 1465, nxpk= 25, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 471, 472, 473, 475, 476, 477, 469,
&end
#
# 39 VAL HN 38 LEU HA 2.50 (# 1466:25 Unique 2.24, 2.29 A)
&rst
ixpk= 1466, nxpk= 25, iat= 625, 608, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 38 LEU HB+ 38 LEU HA 4.50 (# 1467:25 Unique 2.39, 2.78 A)
&rst
ixpk= 1467, nxpk= 25, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 610, 611,
&end
#
# 0 AMB 25-2:1468 38 LEU HA 3.50 (# 1468:25 Single Ambig)
&rst
ixpk= 1468, nxpk= 25, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 610, 611, 825, 826, 827,
&end
#
# 38 LEU MDY 38 LEU HA 2.50 (# 1469:25 Unique 2.19, 3.90 A)
&rst
ixpk= 1469, nxpk= 25, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 615, 616, 617, 619, 620, 621,
&end
#
# 38 LEU MDY 52 ALA HA 3.50 (# 1471:25 Unique 2.14, 4.41 A)
&rst
ixpk= 1471, nxpk= 25, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 615, 616, 617, 619, 620, 621,
&end
#
# 52 ALA MB 52 ALA HA 2.50 (# 1473:25 Unique 2.44, 2.67 A)
&rst
ixpk= 1473, nxpk= 25, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 825, 826, 827,
&end
#
# 79 PRO HD+ 78 ASN HA 2.50 (# 1476:25 Unique 2.20, 2.40 A)
&rst
ixpk= 1476, nxpk= 25, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1219,1220,
&end
#
# 78 ASN HB+ 78 ASN HA 3.50 (# 1477:25 Unique 2.42, 2.74 A)
&rst
ixpk= 1477, nxpk= 25, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1208,1209,
&end
#
# 78 ASN HB- 78 ASN HA 3.50 (# 1478:25 Unique 2.42, 2.74 A)
&rst
ixpk= 1478, nxpk= 25, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1208,1209,
&end
#
# 78 ASN HN 78 ASN HA 3.50 (# 1479:25 Unique 2.74, 2.85 A)
&rst
ixpk= 1479, nxpk= 25, iat=1204,1206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:1480 66 THR HB 5.50 (# 1480:25 Single Ambig)
&rst
ixpk= 1480, nxpk= 25, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1070, 916,
&end
#
# 59 MET HB- 66 THR HB 4.50 (# 1481:25 Unique 2.54, 3.75 A)
&rst
ixpk= 1481, nxpk= 25, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 920, 921,
&end
#
# 22 PHE HN 21 THR HB 5.50 (# 1483:25 Unique 2.73, 3.14 A)
&rst
ixpk= 1483, nxpk= 25, iat= 327, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 SER HA 21 THR HB 5.50 (# 1485:25 Unique 4.17, 4.43 A)
&rst
ixpk= 1485, nxpk= 25, iat=1309, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 TYR HD 72 VAL HA 4.50 (# 1488:25 Unique 3.54, 4.70 A)
&rst
ixpk= 1488, nxpk= 25, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1165,1174,
&end
#
# 73 LEU HN 72 VAL HA 5.50 (# 1489:25 Unique 3.56, 3.60 A)
&rst
ixpk= 1489, nxpk= 25, iat=1123,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 THR HN 72 VAL HA 5.50 (# 1490:25 Unique 4.39, 4.53 A)
&rst
ixpk= 1490, nxpk= 25, iat=1027,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1492 72 VAL HA 7.00 (# 1492:25 Single Ambig)
&rst
ixpk= 1492, nxpk= 25, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1167,1172,1251,1252,
&end
#
# 0 AMB 25-2:1493 72 VAL HA 5.50 (# 1493:25 Single Ambig)
&rst
ixpk= 1493, nxpk= 25, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1092,1041,
&end
#
# 74 GLU HN 72 VAL HA 5.50 (# 1494:25 Unique 4.16, 4.39 A)
&rst
ixpk= 1494, nxpk= 25, iat=1142,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 TYR HA 72 VAL HA 5.50 (# 1495:25 Unique 4.27, 4.53 A)
&rst
ixpk= 1495, nxpk= 25, iat=1008,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1496 72 VAL HA 4.50 (# 1496:25 Single Ambig)
&rst
ixpk= 1496, nxpk= 25, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1094,1029,1031,
&end
#
# 75 TYR HA 72 VAL HA 5.50 (# 1497:25 Unique 4.87, 5.08 A)
&rst
ixpk= 1497, nxpk= 25, iat=1159,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1499 72 VAL HA 4.50 (# 1499:25 Single Ambig)
&rst
ixpk= 1499, nxpk= 25, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1185,1099,1100,1096,1097,
&end
#
# 0 AMB 25-2:1501 72 VAL HA 5.50 (# 1501:25 Single Ambig)
&rst
ixpk= 1501, nxpk= 25, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 880,1077,1078,
&end
#
# 82 TYR HD 23 SER QB 4.50 (# 1503:25 Unique 2.55, 6.20 A)
&rst
ixpk= 1503, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1264,1273,
igr2= 351, 352,
&end
#
# 82 TYR HE 23 SER QB 7.00 (# 1504:25 Unique 3.21, 7.67 A)
&rst
ixpk= 1504, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1266,1271,
igr2= 351, 352,
&end
#
# 24 TYR QB 23 SER QB 4.50 (# 1505:25 Unique 4.43, 5.89 A)
&rst
ixpk= 1505, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 362, 363,
igr2= 351, 352,
&end
#
# 51 HIS HN 49 VAL HA 4.50 (# 1508:25 Unique 3.13, 3.38 A)
&rst
ixpk= 1508, nxpk= 25, iat= 804, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1510 79 PRO HA 4.50 (# 1510:25 Single Ambig)
&rst
ixpk= 1510, nxpk= 25, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1232,1251,1252,
&end
#
# 81 ASN HN 79 PRO HA 5.50 (# 1511:25 Unique 3.16, 3.24 A)
&rst
ixpk= 1511, nxpk= 25, iat=1242,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ASN HA 79 PRO HA 5.50 (# 1512:25 Unique 4.46, 4.49 A)
&rst
ixpk= 1512, nxpk= 25, iat=1206,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 TYR HA 79 PRO HA 5.50 (# 1513:25 Unique 3.54, 3.90 A)
&rst
ixpk= 1513, nxpk= 25, iat=1258,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1514 49 VAL HA 4.50 (# 1514:25 Single Ambig)
&rst
ixpk= 1514, nxpk= 25, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 643, 799, 800,
&end
#
# 24 TYR QB 79 PRO HA 5.50 (# 1517:25 Unique 4.87, 5.86 A)
&rst
ixpk= 1517, nxpk= 25, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 362, 363,
&end
#
# 96 ASN HN 95 SER QB 4.50 (# 1520:25 Unique 2.20, 3.69 A)
&rst
ixpk= 1520, nxpk= 25, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1487,1488,
&end
#
# 55 ALA HN 53 VAL HA 4.50 (# 1521:25 Unique 3.87, 3.98 A)
&rst
ixpk= 1521, nxpk= 25, iat= 866, 833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 PHE HD 53 VAL HA 5.50 (# 1522:25 Unique 2.53, 4.53 A)
&rst
ixpk= 1522, nxpk= 25, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1369,1377,
&end
#
# 12 TYR HD 11 SER QB 5.50 (# 1524:25 Unique 2.49, 5.54 A)
&rst
ixpk= 1524, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 180, 189,
igr2= 165, 166,
&end
#
# 85 SER HA 85 SER HB+ 3.50 (# 1525:25 Unique 2.40, 2.74 A)
&rst
ixpk= 1525, nxpk= 25, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1311,1312,
&end
#
# 95 SER HA 95 SER QB 2.50 (# 1526:25 Unique 2.38, 2.73 A)
&rst
ixpk= 1526, nxpk= 25, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2=1487,1488,
&end
#
# 0 AMB 25-2:1528 0 AMB 25-1:1528 5.50 (# 1528:25 Double Ambig)
&rst
ixpk= 1528, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 176, 177, 899, 900,
igr2= 165, 166,1311,1312,
&end
#
# 21 THR MG2 85 SER HB- 5.50 (# 1530:25 Unique 3.40, 4.88 A)
&rst
ixpk= 1530, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 319, 320, 321,
igr2=1311,1312,
&end
#
# 21 THR MG2 85 SER HB+ 5.50 (# 1531:25 Unique 3.40, 4.88 A)
&rst
ixpk= 1531, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 319, 320, 321,
igr2=1311,1312,
&end
#
# 86 ILE MG2 53 VAL HA 4.50 (# 1534:25 Unique 3.57, 4.30 A)
&rst
ixpk= 1534, nxpk= 25, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1324,1325,1326,
&end
#
# 53 VAL HB 53 VAL HA 4.50 (# 1535:25 Unique 2.22, 2.90 A)
&rst
ixpk= 1535, nxpk= 25, iat= 835, 833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1537 53 VAL HA 4.50 (# 1537:25 Single Ambig)
&rst
ixpk= 1537, nxpk= 25, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 851, 852, 825, 826, 827,
&end
#
# 39 VAL HN 39 VAL HA 5.50 (# 1538:25 Unique 2.85, 2.87 A)
&rst
ixpk= 1538, nxpk= 25, iat= 625, 627, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 PHE HN 39 VAL HA 4.50 (# 1539:25 Unique 3.54, 3.78 A)
&rst
ixpk= 1539, nxpk= 25, iat= 651, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 LYS HN 39 VAL HA 5.50 (# 1540:25 Unique 3.85, 4.12 A)
&rst
ixpk= 1540, nxpk= 25, iat= 481, 627, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 LEU HA 39 VAL HA 4.50 (# 1542:25 Unique 2.33, 2.54 A)
&rst
ixpk= 1542, nxpk= 25, iat= 464, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 VAL HB 39 VAL HA 4.50 (# 1543:25 Unique 3.03, 3.04 A)
&rst
ixpk= 1543, nxpk= 25, iat= 629, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1544 39 VAL HA 4.50 (# 1544:25 Single Ambig)
&rst
ixpk= 1544, nxpk= 25, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 466, 467, 610, 611, 491, 492,
&end
#
# 0 AMB 25-2:1545 39 VAL HA 4.50 (# 1545:25 Single Ambig)
&rst
ixpk= 1545, nxpk= 25, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 645, 646, 647, 610, 611, 488, 489,
&end
#
# 78 ASN HD2+ 75 TYR HA 5.50 (# 1552:25 Unique 3.68, 5.21 A)
&rst
ixpk= 1552, nxpk= 25, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1213,1214,
&end
#
# 0 AMB 25-2:1555 75 TYR HA 4.50 (# 1555:25 Single Ambig)
&rst
ixpk= 1555, nxpk= 25, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1204,1213,1214,
&end
#
# 76 LEU HN 75 TYR HA 4.50 (# 1556:25 Unique 3.59, 3.60 A)
&rst
ixpk= 1556, nxpk= 25, iat=1178,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 LEU HA 75 TYR HA 5.50 (# 1557:25 Unique 4.75, 4.77 A)
&rst
ixpk= 1557, nxpk= 25, iat=1180,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ASN HB- 75 TYR HA 4.50 (# 1558:25 Unique 3.17, 3.71 A)
&rst
ixpk= 1558, nxpk= 25, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1208,1209,
&end
#
# 0 AMB 25-2:1559 75 TYR HA 5.50 (# 1559:25 Single Ambig)
&rst
ixpk= 1559, nxpk= 25, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1149,1150,1246,1247,
&end
#
# 0 AMB 25-2:1560 75 TYR HA 5.50 (# 1560:25 Single Ambig)
&rst
ixpk= 1560, nxpk= 25, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1185,1096,1097,
&end
#
# 0 AMB 25-2:1561 75 TYR HA 5.50 (# 1561:25 Single Ambig)
&rst
ixpk= 1561, nxpk= 25, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1080,1081,1182,1183,
&end
#
# 25 PRO HB+ 25 PRO HA 4.50 (# 1562:25 Unique 2.26, 2.52 A)
&rst
ixpk= 1562, nxpk= 25, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 386, 387,
&end
#
# 24 TYR HD 25 PRO HA 4.50 (# 1564:25 Unique 2.57, 4.45 A)
&rst
ixpk= 1564, nxpk= 25, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 366, 375,
&end
#
# 0 AMB 25-2:1565 25 PRO HA 5.50 (# 1565:25 Single Ambig)
&rst
ixpk= 1565, nxpk= 25, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1266,1271, 368, 373,
&end
#
# 0 AMB 25-2:1567 66 THR HA 5.50 (# 1567:25 Single Ambig)
&rst
ixpk= 1567, nxpk= 25, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1051,1006,
&end
#
# 61 VAL HN 66 THR HA 5.50 (# 1568:25 Unique 5.02, 5.21 A)
&rst
ixpk= 1568, nxpk= 25, iat= 945,1029, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 VAL HB 66 THR HA 4.50 (# 1570:25 Unique 2.90, 3.36 A)
&rst
ixpk= 1570, nxpk= 25, iat= 949,1029, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ALA HN 61 VAL HA 4.50 (# 1572:25 Unique 3.25, 3.42 A)
&rst
ixpk= 1572, nxpk= 25, iat=1041, 947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 GLY HN 61 VAL HA 5.50 (# 1573:25 Unique 4.39, 4.74 A)
&rst
ixpk= 1573, nxpk= 25, iat= 975, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1574 61 VAL HA 5.50 (# 1574:25 Single Ambig)
&rst
ixpk= 1574, nxpk= 25, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1006,1051,
&end
#
# 56 ILE HN 61 VAL HA 5.50 (# 1575:25 Unique 5.08, 5.25 A)
&rst
ixpk= 1575, nxpk= 25, iat= 876, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ASN HB+ 61 VAL HA 5.50 (# 1577:25 Unique 4.16, 4.47 A)
&rst
ixpk= 1577, nxpk= 25, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 965, 966,
&end
#
# 0 AMB 25-2:1578 61 VAL HA 5.50 (# 1578:25 Single Ambig)
&rst
ixpk= 1578, nxpk= 25, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 965, 966, 937, 938,
&end
#
# 60 ASP HA 61 VAL HA 4.50 (# 1579:25 Unique 4.36, 4.41 A)
&rst
ixpk= 1579, nxpk= 25, iat= 935, 947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ALA MB 61 VAL HA 4.50 (# 1580:25 Unique 4.18, 5.27 A)
&rst
ixpk= 1580, nxpk= 25, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1045,1046,1047,
&end
#
# 57 ASN HB+ 56 ILE HA 5.50 (# 1587:25 Unique 4.58, 5.35 A)
&rst
ixpk= 1587, nxpk= 25, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 899, 900,
&end
#
# 86 ILE MG2 56 ILE HA 5.50 (# 1588:25 Unique 3.21, 4.43 A)
&rst
ixpk= 1588, nxpk= 25, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1324,1325,1326,
&end
#
# 76 LEU HN 73 LEU HA 5.50 (# 1592:25 Unique 3.40, 3.66 A)
&rst
ixpk= 1592, nxpk= 25, iat=1178,1125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 GLU HN 73 LEU HA 5.50 (# 1593:25 Unique 3.57, 3.59 A)
&rst
ixpk= 1593, nxpk= 25, iat=1142,1125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 THR HN 71 GLU HA 5.50 (# 1594:25 Unique 3.83, 3.99 A)
&rst
ixpk= 1594, nxpk= 25, iat=1027,1094, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 LEU HN 71 GLU HA 4.50 (# 1595:25 Unique 4.13, 4.25 A)
&rst
ixpk= 1595, nxpk= 25, iat=1123,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1597 0 AMB 25-1:1597 4.50 (# 1597:25 Double Ambig)
&rst
ixpk= 1597, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1016,1021, 182, 187,
igr2=1094, 163,
&end
#
# 64 ARG QD 35 GLU HA 5.50 (# 1599:25 Unique 2.35, 3.80 A)
&rst
ixpk= 1599, nxpk= 25, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 992, 993,
&end
#
# 64 ARG HB+ 35 GLU HA 5.50 (# 1600:25 Unique 2.68, 4.67 A)
&rst
ixpk= 1600, nxpk= 25, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 986, 987,
&end
#
# 32 LEU HB- 35 GLU HA 5.50 (# 1601:25 Unique 5.55, 6.16 A)
&rst
ixpk= 1601, nxpk= 25, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 507, 508,
&end
#
# 64 ARG HB- 35 GLU HA 5.50 (# 1602:25 Unique 2.68, 4.67 A)
&rst
ixpk= 1602, nxpk= 25, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 986, 987,
&end
#
# 81 ASN HN 82 TYR HA 5.50 (# 1605:25 Unique 4.23, 4.38 A)
&rst
ixpk= 1605, nxpk= 25, iat=1242,1258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 TYR HE 82 TYR HA 5.50 (# 1606:25 Unique 2.21, 5.11 A)
&rst
ixpk= 1606, nxpk= 25, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 368, 373,
&end
#
# 65 TYR HE 65 TYR HA 5.50 (# 1607:25 Unique 4.75, 5.41 A)
&rst
ixpk= 1607, nxpk= 25, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1016,1021,
&end
#
# 84 VAL MGX 82 TYR HA 4.50 (# 1608:25 Unique 3.40, 5.14 A)
&rst
ixpk= 1608, nxpk= 25, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1297,1298,1299,1301,1302,1303,
&end
#
# 72 VAL HB 65 TYR HA 5.50 (# 1611:25 Unique 4.11, 4.50 A)
&rst
ixpk= 1611, nxpk= 25, iat=1111,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1612 65 TYR HA 5.50 (# 1612:25 Single Ambig)
&rst
ixpk= 1612, nxpk= 25, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1099,1100,1096,1097,
&end
#
# 71 GLU HG+ 65 TYR HA 5.50 (# 1613:25 Unique 3.86, 4.72 A)
&rst
ixpk= 1613, nxpk= 25, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1099,1100,
&end
#
# 81 ASN HB+ 82 TYR HA 5.50 (# 1614:25 Unique 4.51, 5.32 A)
&rst
ixpk= 1614, nxpk= 25, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1246,1247,
&end
#
# 0 AMB 25-2:1615 85 SER HA 4.50 (# 1615:25 Single Ambig)
&rst
ixpk= 1615, nxpk= 25, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1297,1298,1299,1301,1302,1303,1331,1332,1333,
&end
#
# 21 THR MG2 85 SER HA 4.50 (# 1616:25 Unique 2.63, 3.78 A)
&rst
ixpk= 1616, nxpk= 25, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 319, 320, 321,
&end
#
# 0 AMB 25-2:1617 85 SER HA 4.50 (# 1617:25 Single Ambig)
&rst
ixpk= 1617, nxpk= 25, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1328,1329,1322,
&end
#
# 22 PHE HE 85 SER HA 7.00 (# 1618:25 Unique 4.63, 6.71 A)
&rst
ixpk= 1618, nxpk= 25, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 337, 341,
&end
#
# 22 PHE HD 85 SER HA 7.00 (# 1619:25 Unique 3.27, 5.63 A)
&rst
ixpk= 1619, nxpk= 25, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 335, 343,
&end
#
# 22 PHE HN 85 SER HA 3.50 (# 1620:25 Unique 3.23, 3.38 A)
&rst
ixpk= 1620, nxpk= 25, iat= 327,1309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 ILE MG2 85 SER HA 5.50 (# 1621:25 Unique 6.21, 6.62 A)
&rst
ixpk= 1621, nxpk= 25, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1324,1325,1326,
&end
#
# 0 AMB 25-2:1622 35 GLU HA 7.00 (# 1622:25 Single Ambig)
&rst
ixpk= 1622, nxpk= 25, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 541, 984,
&end
#
# 0 AMB 25-2:1624 88 PHE HA 5.50 (# 1624:25 Single Ambig)
&rst
ixpk= 1624, nxpk= 25, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 849, 806,
&end
#
# 89 GLY QA 88 PHE HA 5.50 (# 1625:25 Unique 4.12, 4.47 A)
&rst
ixpk= 1625, nxpk= 25, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1383,1384,
&end
#
# 55 ALA HN 88 PHE HA 5.50 (# 1627:25 Unique 3.98, 4.10 A)
&rst
ixpk= 1627, nxpk= 25, iat= 866,1363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 ILE MG2 88 PHE HA 5.50 (# 1630:25 Unique 3.93, 5.20 A)
&rst
ixpk= 1630, nxpk= 25, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1324,1325,1326,
&end
#
# 24 TYR QB 24 TYR HA 3.50 (# 1631:25 Unique 2.34, 2.76 A)
&rst
ixpk= 1631, nxpk= 25, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 362, 363,
&end
#
# 25 PRO HB+ 24 TYR HA 5.50 (# 1634:25 Unique 4.38, 4.74 A)
&rst
ixpk= 1634, nxpk= 25, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 386, 387,
&end
#
# 24 TYR HD 24 TYR HA 3.50 (# 1636:25 Unique 2.49, 3.53 A)
&rst
ixpk= 1636, nxpk= 25, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 366, 375,
&end
#
# 24 TYR HN 24 TYR HA 4.50 (# 1640:25 Unique 2.90, 2.95 A)
&rst
ixpk= 1640, nxpk= 25, iat= 358, 360, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1641 67 ALA HA 5.50 (# 1641:25 Single Ambig)
&rst
ixpk= 1641, nxpk= 25, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 970, 971, 945,
&end
#
# 62 ASN HD2- 67 ALA HA 5.50 (# 1642:25 Unique 5.20, 6.40 A)
&rst
ixpk= 1642, nxpk= 25, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 970, 971,
&end
#
# 78 ASN HN 76 LEU HA 5.50 (# 1643:25 Unique 3.63, 4.18 A)
&rst
ixpk= 1643, nxpk= 25, iat=1204,1180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 PHE HN 30 LEU HA 5.50 (# 1644:25 Unique 3.79, 4.00 A)
&rst
ixpk= 1644, nxpk= 25, iat= 651, 464, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ALA HN 30 LEU HA 4.50 (# 1645:25 Unique 1.88, 2.12 A)
&rst
ixpk= 1645, nxpk= 25, iat= 641, 464, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1646 30 LEU HA 4.50 (# 1646:25 Single Ambig)
&rst
ixpk= 1646, nxpk= 25, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 445, 483,
&end
#
# 90 ARG QG 16 ALA HA 7.00 (# 1648:25 Unique 2.47, 4.92 A)
&rst
ixpk= 1648, nxpk= 25, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1395,1396,
&end
#
# 17 GLU HB+ 16 ALA HA 7.00 (# 1649:25 Unique 4.18, 5.51 A)
&rst
ixpk= 1649, nxpk= 25, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 255, 256,
&end
#
# 90 ARG QD 16 ALA HA 5.50 (# 1651:25 Unique 2.37, 5.24 A)
&rst
ixpk= 1651, nxpk= 25, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1398,1399,
&end
#
# 0 AMB 25-2:1654 16 ALA HA 5.50 (# 1654:25 Single Ambig)
&rst
ixpk= 1654, nxpk= 25, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1388,1381,
&end
#
# 62 ASN HN 62 ASN HA 4.50 (# 1657:25 Unique 2.92, 2.95 A)
&rst
ixpk= 1657, nxpk= 25, iat= 961, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 GLY HN 62 ASN HA 2.50 (# 1658:25 Unique 2.17, 2.40 A)
&rst
ixpk= 1658, nxpk= 25, iat= 975, 963, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 25-2:1659 62 ASN HA 5.50 (# 1659:25 Single Ambig)
&rst
ixpk= 1659, nxpk= 25, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 977, 978, 947,
&end
#
# 63 GLY HA- 62 ASN HA 5.50 (# 1660:25 Unique 4.25, 4.41 A)
&rst
ixpk= 1660, nxpk= 25, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 977, 978,
&end
#
# 62 ASN HB+ 62 ASN HA 3.50 (# 1661:25 Unique 2.44, 2.75 A)
&rst
ixpk= 1661, nxpk= 25, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 965, 966,
&end
#
# 62 ASN HB- 62 ASN HA 3.50 (# 1662:25 Unique 2.44, 2.75 A)
&rst
ixpk= 1662, nxpk= 25, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 965, 966,
&end
#
# 0 AMB 25-2:1663 62 ASN HA 7.00 (# 1663:25 Single Ambig)
&rst
ixpk= 1663, nxpk= 25, iat= -1, 963, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
956, 957,
&end
#
# 80 ALA HN 79 PRO HD- 4.50 (# 1665:25 Unique 2.86, 3.52 A)
&rst
ixpk= 1665, nxpk= 25, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1219,1220,
&end
#
# 82 TYR HE 79 PRO HD+ 5.50 (# 1669:25 Unique 3.61, 5.90 A)
&rst
ixpk= 1669, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1266,1271,
igr2=1219,1220,
&end
#
# 0 AMB 25-2:1670 0 AMB 25-1:1670 5.50 (# 1670:25 Double Ambig)
&rst
ixpk= 1670, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1204,1213,1214,
igr2=1219,1220,1219,1220,
&end
#
# 78 ASN HB- 79 PRO HD+ 5.50 (# 1673:25 Unique 4.20, 4.79 A)
&rst
ixpk= 1673, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1208,1209,
igr2=1219,1220,
&end
#
# 78 ASN HB- 79 PRO HD- 5.50 (# 1674:25 Unique 4.20, 4.79 A)
&rst
ixpk= 1674, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1208,1209,
igr2=1219,1220,
&end
#
# 78 ASN HB+ 79 PRO HD+ 5.50 (# 1676:25 Unique 4.20, 4.79 A)
&rst
ixpk= 1676, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1208,1209,
igr2=1219,1220,
&end
#
# 79 PRO HB- 79 PRO HD- 4.50 (# 1677:25 Unique 2.84, 3.69 A)
&rst
ixpk= 1677, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1225,1226,
igr2=1219,1220,
&end
#
# 79 PRO HB- 79 PRO HD+ 4.50 (# 1678:25 Unique 2.84, 3.69 A)
&rst
ixpk= 1678, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1225,1226,
igr2=1219,1220,
&end
#
# 13 ALA HN 14 PRO HD+ 5.50 (# 1682:25 Unique 1.61, 4.10 A)
&rst
ixpk= 1682, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 204, 205,
&end
#
# 13 ALA HN 14 PRO HD- 5.50 (# 1683:25 Unique 1.61, 4.10 A)
&rst
ixpk= 1683, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 204, 205,
&end
#
# 15 ARG HN 14 PRO HD+ 5.50 (# 1684:25 Unique 2.74, 4.81 A)
&rst
ixpk= 1684, nxpk= 25, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 204, 205,
&end
#
# 15 ARG HN 14 PRO HD- 5.50 (# 1685:25 Unique 2.74, 4.81 A)
&rst
ixpk= 1685, nxpk= 25, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 204, 205,
&end
#
# 12 TYR HD 14 PRO HD+ 5.50 (# 1686:25 Unique 2.12, 6.10 A)
&rst
ixpk= 1686, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 180, 189,
igr2= 204, 205,
&end
#
# 12 TYR HD 14 PRO HD- 5.50 (# 1687:25 Unique 2.12, 6.10 A)
&rst
ixpk= 1687, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 180, 189,
igr2= 204, 205,
&end
#
# 12 TYR HE 14 PRO HD+ 5.50 (# 1688:25 Unique 3.16, 6.62 A)
&rst
ixpk= 1688, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 182, 187,
igr2= 204, 205,
&end
#
# 12 TYR HE 14 PRO HD- 5.50 (# 1689:25 Unique 3.16, 6.62 A)
&rst
ixpk= 1689, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 182, 187,
igr2= 204, 205,
&end
#
# 39 VAL HN 52 ALA HA 4.50 (# 1690:25 Unique 3.16, 3.61 A)
&rst
ixpk= 1690, nxpk= 25, iat= 625, 823, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 ALA HN 52 ALA HA 4.50 (# 1691:25 Unique 2.95, 2.97 A)
&rst
ixpk= 1691, nxpk= 25, iat= 821, 823, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1694 52 ALA HA 4.50 (# 1694:25 Single Ambig)
&rst
ixpk= 1694, nxpk= 25, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1416,1417,1419,1420, 835, 594,
&end
#
# 82 TYR HE 25 PRO HD+ 5.50 (# 1697:25 Unique 2.62, 5.56 A)
&rst
ixpk= 1697, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1266,1271,
igr2= 380, 381,
&end
#
# 82 TYR HE 25 PRO HD- 5.50 (# 1698:25 Unique 2.62, 5.56 A)
&rst
ixpk= 1698, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1266,1271,
igr2= 380, 381,
&end
#
# 24 TYR HD 25 PRO HD- 5.50 (# 1699:25 Unique 5.80, 6.84 A)
&rst
ixpk= 1699, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 366, 375,
igr2= 380, 381,
&end
#
# 24 TYR HD 25 PRO HD+ 5.50 (# 1700:25 Unique 5.80, 6.84 A)
&rst
ixpk= 1700, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 366, 375,
igr2= 380, 381,
&end
#
# 24 TYR HA 25 PRO HD- 5.50 (# 1701:25 Unique 4.43, 4.61 A)
&rst
ixpk= 1701, nxpk= 25, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 380, 381,
&end
#
# 24 TYR HA 25 PRO HD+ 5.50 (# 1702:25 Unique 4.43, 4.61 A)
&rst
ixpk= 1702, nxpk= 25, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 380, 381,
&end
#
# 25 PRO HB+ 25 PRO HD- 4.50 (# 1703:25 Unique 2.83, 3.69 A)
&rst
ixpk= 1703, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 386, 387,
igr2= 380, 381,
&end
#
# 25 PRO HB+ 25 PRO HD+ 4.50 (# 1704:25 Unique 2.83, 3.69 A)
&rst
ixpk= 1704, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 386, 387,
igr2= 380, 381,
&end
#
# 65 TYR HN 63 GLY HA+ 5.50 (# 1711:25 Unique 3.67, 4.39 A)
&rst
ixpk= 1711, nxpk= 25, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 977, 978,
&end
#
# 65 TYR HN 63 GLY HA- 5.50 (# 1712:25 Unique 3.67, 4.39 A)
&rst
ixpk= 1712, nxpk= 25, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 977, 978,
&end
#
# 64 ARG HN 63 GLY HA- 3.50 (# 1713:25 Unique 2.20, 2.98 A)
&rst
ixpk= 1713, nxpk= 25, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 977, 978,
&end
#
# 63 GLY HN 63 GLY HA+ 3.50 (# 1714:25 Unique 2.24, 2.55 A)
&rst
ixpk= 1714, nxpk= 25, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 977, 978,
&end
#
# 62 ASN HA 63 GLY HA- 5.50 (# 1715:25 Unique 4.25, 4.41 A)
&rst
ixpk= 1715, nxpk= 25, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 977, 978,
&end
#
# 62 ASN HA 63 GLY HA+ 5.50 (# 1716:25 Unique 4.25, 4.41 A)
&rst
ixpk= 1716, nxpk= 25, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 977, 978,
&end
#
# 36 ARG HD- 63 GLY HA+ 5.50 (# 1717:25 Unique 2.10, 3.71 A)
&rst
ixpk= 1717, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 576, 577,
igr2= 977, 978,
&end
#
# 36 ARG HD- 63 GLY HA- 5.50 (# 1719:25 Unique 2.10, 3.71 A)
&rst
ixpk= 1719, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 576, 577,
igr2= 977, 978,
&end
#
# 0 AMB 25-2:1722 63 GLY HA- 7.00 (# 1722:25 Single Ambig)
&rst
ixpk= 1722, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 555, 556, 558, 559,
igr2= 977, 978,
&end
#
# 0 AMB 25-2:1723 63 GLY HA- 7.00 (# 1723:25 Single Ambig)
&rst
ixpk= 1723, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 555, 556, 558, 559,
igr2= 977, 978,
&end
#
# 0 AMB 25-2:1724 0 AMB 25-1:1724 7.00 (# 1724:25 Double Ambig)
&rst
ixpk= 1724, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1= 555, 556, 558, 559,
igr2= 977, 978, 977, 978,
&end
#
# 36 ARG HB- 63 GLY HA+ 5.50 (# 1725:25 Unique 2.80, 5.22 A)
&rst
ixpk= 1725, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 570, 571,
igr2= 977, 978,
&end
#
# 36 ARG HB- 63 GLY HA- 5.50 (# 1726:25 Unique 2.80, 5.22 A)
&rst
ixpk= 1726, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 570, 571,
igr2= 977, 978,
&end
#
# 0 AMB 25-2:1727 63 GLY HA- 5.50 (# 1727:25 Single Ambig)
&rst
ixpk= 1727, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 989, 990, 825, 826, 827,
igr2= 977, 978,
&end
#
# 0 AMB 25-2:1728 0 AMB 25-1:1728 5.50 (# 1728:25 Double Ambig)
&rst
ixpk= 1728, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1= 989, 990, 986, 987, 825, 826, 827,
igr2= 977, 978, 977, 978, 977, 978,
&end
#
# 0 AMB 25-2:1729 0 AMB 25-1:1729 7.00 (# 1729:25 Double Ambig)
&rst
ixpk= 1729, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.34, r4=13.84,
igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
956, 957,
igr2= 977, 978, 977, 978,
&end
#
# 0 AMB 25-2:1730 63 GLY HA- 5.50 (# 1730:25 Single Ambig)
&rst
ixpk= 1730, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
956, 957,
igr2= 977, 978,
&end
#
# 65 TYR HD 69 GLY HA- 5.50 (# 1731:25 Unique 3.86, 5.49 A)
&rst
ixpk= 1731, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1014,1023,
igr2=1065,1066,
&end
#
# 65 TYR HD 69 GLY HA+ 5.50 (# 1732:25 Unique 3.86, 5.49 A)
&rst
ixpk= 1732, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1014,1023,
igr2=1065,1066,
&end
#
# 70 LYS HN 69 GLY HA+ 3.50 (# 1733:25 Unique 3.21, 3.36 A)
&rst
ixpk= 1733, nxpk= 25, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1065,1066,
&end
#
# 66 THR HN 69 GLY HA+ 5.50 (# 1734:25 Unique 3.55, 4.28 A)
&rst
ixpk= 1734, nxpk= 25, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1065,1066,
&end
#
# 66 THR HN 69 GLY HA- 5.50 (# 1735:25 Unique 3.55, 4.28 A)
&rst
ixpk= 1735, nxpk= 25, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1065,1066,
&end
#
# 0 AMB 25-2:1736 0 AMB 25-1:1736 5.50 (# 1736:25 Double Ambig)
&rst
ixpk= 1736, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1072,1053,
igr2=1065,1066,1065,1066,
&end
#
# 0 AMB 25-2:1737 69 GLY HA- 5.50 (# 1737:25 Single Ambig)
&rst
ixpk= 1737, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1072,1053,
igr2=1065,1066,
&end
#
# 65 TYR HB+ 69 GLY HA- 4.50 (# 1738:25 Unique 2.28, 3.76 A)
&rst
ixpk= 1738, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1010,1011,
igr2=1065,1066,
&end
#
# 65 TYR HB- 69 GLY HA- 4.50 (# 1739:25 Unique 2.28, 3.76 A)
&rst
ixpk= 1739, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1010,1011,
igr2=1065,1066,
&end
#
# 65 TYR HB- 69 GLY HA+ 4.50 (# 1740:25 Unique 2.28, 3.76 A)
&rst
ixpk= 1740, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1010,1011,
igr2=1065,1066,
&end
#
# 65 TYR HB+ 69 GLY HA+ 4.50 (# 1741:25 Unique 2.28, 3.76 A)
&rst
ixpk= 1741, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1010,1011,
igr2=1065,1066,
&end
#
# 31 LYS HN 38 LEU HB+ 5.50 (# 1742:25 Unique 3.63, 4.42 A)
&rst
ixpk= 1742, nxpk= 25, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 610, 611,
&end
#
# 38 LEU HA 38 LEU HB+ 3.50 (# 1743:25 Unique 2.39, 2.78 A)
&rst
ixpk= 1743, nxpk= 25, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 610, 611,
&end
#
# 38 LEU HA 38 LEU HB- 3.50 (# 1744:25 Unique 2.39, 2.78 A)
&rst
ixpk= 1744, nxpk= 25, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 610, 611,
&end
#
# 50 GLY HA+ 38 LEU HB- 4.50 (# 1745:25 Unique 2.23, 4.67 A)
&rst
ixpk= 1745, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 799, 800,
igr2= 610, 611,
&end
#
# 37 VAL HA 38 LEU HB+ 5.50 (# 1746:25 Unique 4.04, 4.95 A)
&rst
ixpk= 1746, nxpk= 25, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 610, 611,
&end
#
# 55 ALA MB 58 GLY HA+ 4.50 (# 1747:25 Unique 3.16, 4.95 A)
&rst
ixpk= 1747, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 870, 871, 872,
igr2= 911, 912,
&end
#
# 0 AMB 25-2:1749 89 GLY QA 4.50 (# 1749:25 Single Ambig)
&rst
ixpk= 1749, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1395,1396,1392,1393,
igr2=1383,1384,
&end
#
# 17 GLU HB+ 89 GLY QA 5.50 (# 1751:25 Unique 2.30, 4.92 A)
&rst
ixpk= 1751, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 255, 256,
igr2=1383,1384,
&end
#
# 17 GLU QG 89 GLY QA 5.50 (# 1752:25 Unique 2.18, 3.92 A)
&rst
ixpk= 1752, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 258, 259,
igr2=1383,1384,
&end
#
# 57 ASN HN 58 GLY HA+ 5.50 (# 1754:25 Unique 5.17, 5.41 A)
&rst
ixpk= 1754, nxpk= 25, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 911, 912,
&end
#
# 51 HIS HN 50 GLY HA- 4.50 (# 1755:25 Unique 3.15, 3.36 A)
&rst
ixpk= 1755, nxpk= 25, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 799, 800,
&end
#
# 0 AMB 25-2:1756 0 AMB 25-1:1756 5.50 (# 1756:25 Double Ambig)
&rst
ixpk= 1756, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 876, 804,
igr2= 911, 912,1383,1384,
&end
#
# 78 ASN HN 77 GLY HA+ 4.50 (# 1757:25 Unique 2.87, 3.27 A)
&rst
ixpk= 1757, nxpk= 25, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1199,1200,
&end
#
# 0 AMB 25-2:1758 0 AMB 25-1:1758 5.50 (# 1758:25 Double Ambig)
&rst
ixpk= 1758, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 368, 373,1266,1271,
igr2=1199,1200,1199,1200,
&end
#
# 55 ALA MB 58 GLY HA- 4.50 (# 1759:25 Unique 3.16, 4.95 A)
&rst
ixpk= 1759, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 870, 871, 872,
igr2= 911, 912,
&end
#
# 0 AMB 25-2:1760 77 GLY HA- 5.50 (# 1760:25 Single Ambig)
&rst
ixpk= 1760, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 368, 373,1266,1271,
igr2=1199,1200,
&end
#
# 3 HIS HN 2 GLY HA- 5.50 (# 1761:25 Unique 2.47, 2.79 A)
&rst
ixpk= 1761, nxpk= 25, iat= 28, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 23, 24,
&end
#
# 38 LEU HB+ 50 GLY HA- 5.50 (# 1764:25 Unique 2.23, 4.67 A)
&rst
ixpk= 1764, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 610, 611,
igr2= 799, 800,
&end
#
# 39 VAL HB 50 GLY HA- 5.50 (# 1765:25 Unique 4.12, 4.74 A)
&rst
ixpk= 1765, nxpk= 25, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 799, 800,
&end
#
# 64 ARG HN 64 ARG QD 5.50 (# 1771:25 Unique 2.23, 4.27 A)
&rst
ixpk= 1771, nxpk= 25, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 992, 993,
&end
#
# 88 PHE HA 88 PHE HB- 5.50 (# 1774:25 Unique 2.31, 2.61 A)
&rst
ixpk= 1774, nxpk= 25, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1365,1366,
&end
#
# 88 PHE HA 88 PHE HB+ 4.50 (# 1775:25 Unique 2.31, 2.61 A)
&rst
ixpk= 1775, nxpk= 25, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1365,1366,
&end
#
# 64 ARG HA 64 ARG QD 4.50 (# 1776:25 Unique 4.08, 4.72 A)
&rst
ixpk= 1776, nxpk= 25, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 992, 993,
&end
#
# 35 GLU HA 64 ARG QD 4.50 (# 1777:25 Unique 2.35, 3.80 A)
&rst
ixpk= 1777, nxpk= 25, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 992, 993,
&end
#
# 31 LYS HN 30 LEU HB- 4.50 (# 1780:25 Unique 2.56, 3.28 A)
&rst
ixpk= 1780, nxpk= 25, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 466, 467,
&end
#
# 30 LEU HN 30 LEU HB- 4.50 (# 1781:25 Unique 2.55, 3.20 A)
&rst
ixpk= 1781, nxpk= 25, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 466, 467,
&end
#
# 30 LEU HA 30 LEU HB- 4.50 (# 1782:25 Unique 2.41, 2.78 A)
&rst
ixpk= 1782, nxpk= 25, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 466, 467,
&end
#
# 30 LEU HA 30 LEU HB+ 4.50 (# 1783:25 Unique 2.41, 2.78 A)
&rst
ixpk= 1783, nxpk= 25, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 466, 467,
&end
#
# 31 LYS HN 30 LEU HB+ 4.50 (# 1784:25 Unique 2.56, 3.28 A)
&rst
ixpk= 1784, nxpk= 25, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 466, 467,
&end
#
# 41 PHE HN 29 LEU HB+ 4.50 (# 1785:25 Unique 2.17, 3.36 A)
&rst
ixpk= 1785, nxpk= 25, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 447, 448,
&end
#
# 41 PHE HD 29 LEU HB- 5.50 (# 1787:25 Unique 2.34, 5.23 A)
&rst
ixpk= 1787, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 659, 667,
igr2= 447, 448,
&end
#
# 41 PHE HD 29 LEU HB+ 5.50 (# 1788:25 Unique 2.34, 5.23 A)
&rst
ixpk= 1788, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 659, 667,
igr2= 447, 448,
&end
#
# 33 HIS HN 32 LEU HB- 4.50 (# 1789:25 Unique 4.03, 4.35 A)
&rst
ixpk= 1789, nxpk= 25, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 507, 508,
&end
#
# 23 SER HN 22 PHE HB- 5.50 (# 1790:25 Unique 2.26, 3.04 A)
&rst
ixpk= 1790, nxpk= 25, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 331, 332,
&end
#
# 22 PHE HN 22 PHE HB- 4.50 (# 1791:25 Unique 2.51, 3.28 A)
&rst
ixpk= 1791, nxpk= 25, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 331, 332,
&end
#
# 22 PHE HN 22 PHE HB+ 5.50 (# 1792:25 Unique 2.51, 3.28 A)
&rst
ixpk= 1792, nxpk= 25, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 331, 332,
&end
#
# 23 SER HN 22 PHE HB+ 5.50 (# 1793:25 Unique 2.26, 3.04 A)
&rst
ixpk= 1793, nxpk= 25, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 331, 332,
&end
#
# 22 PHE HD 22 PHE HB+ 5.50 (# 1794:25 Unique 2.28, 3.08 A)
&rst
ixpk= 1794, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 335, 343,
igr2= 331, 332,
&end
#
# 22 PHE HE 22 PHE HB+ 5.50 (# 1795:25 Unique 4.61, 5.09 A)
&rst
ixpk= 1795, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 337, 341,
igr2= 331, 332,
&end
#
# 33 HIS HN 32 LEU HB+ 4.50 (# 1799:25 Unique 4.03, 4.35 A)
&rst
ixpk= 1799, nxpk= 25, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 507, 508,
&end
#
# 41 PHE HB+ 29 LEU HB+ 5.50 (# 1800:25 Unique 2.18, 3.32 A)
&rst
ixpk= 1800, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 655, 656,
igr2= 447, 448,
&end
#
# 38 LEU HN 32 LEU HB+ 7.00 (# 1801:25 Unique 5.07, 5.96 A)
&rst
ixpk= 1801, nxpk= 25, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 507, 508,
&end
#
# 0 AMB 25-2:1802 0 AMB 25-1:1802 5.50 (# 1802:25 Double Ambig)
&rst
ixpk= 1802, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 961,1107,
igr2=1010,1011,1010,1011,
&end
#
# 64 ARG HN 65 TYR HB+ 7.00 (# 1803:25 Unique 3.89, 4.89 A)
&rst
ixpk= 1803, nxpk= 25, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1010,1011,
&end
#
# 0 AMB 25-2:1804 65 TYR HB- 5.50 (# 1804:25 Single Ambig)
&rst
ixpk= 1804, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 961,1107,
igr2=1010,1011,
&end
#
# 41 PHE HD 41 PHE HB+ 3.50 (# 1806:25 Unique 2.35, 3.09 A)
&rst
ixpk= 1806, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 659, 667,
igr2= 655, 656,
&end
#
# 77 GLY HN 76 LEU HB- 5.50 (# 1812:25 Unique 2.70, 3.29 A)
&rst
ixpk= 1812, nxpk= 25, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1182,1183,
&end
#
# 77 GLY HN 76 LEU HB+ 5.50 (# 1813:25 Unique 2.70, 3.29 A)
&rst
ixpk= 1813, nxpk= 25, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1182,1183,
&end
#
# 75 TYR HD 76 LEU HB+ 5.50 (# 1815:25 Unique 4.56, 6.70 A)
&rst
ixpk= 1815, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1165,1174,
igr2=1182,1183,
&end
#
# 24 TYR HE 76 LEU HB- 5.50 (# 1816:25 Unique 2.37, 4.77 A)
&rst
ixpk= 1816, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 368, 373,
igr2=1182,1183,
&end
#
# 76 LEU HA 76 LEU HB+ 4.50 (# 1817:25 Unique 2.53, 2.80 A)
&rst
ixpk= 1817, nxpk= 25, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1182,1183,
&end
#
# 86 ILE MG2 86 ILE HB 4.50 (# 1819:25 Unique 2.42, 2.67 A)
&rst
ixpk= 1819, nxpk= 25, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1324,1325,1326,
&end
#
# 57 ASN HN 56 ILE HB 5.50 (# 1820:25 Unique 3.97, 4.09 A)
&rst
ixpk= 1820, nxpk= 25, iat= 895, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1821 56 ILE HB 5.50 (# 1821:25 Single Ambig)
&rst
ixpk= 1821, nxpk= 25, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 916,1251,1252,
&end
#
# 22 PHE HE 86 ILE HB 5.50 (# 1823:25 Unique 2.32, 4.36 A)
&rst
ixpk= 1823, nxpk= 25, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 337, 341,
&end
#
# 88 PHE HD 86 ILE HB 5.50 (# 1824:25 Unique 2.71, 5.27 A)
&rst
ixpk= 1824, nxpk= 25, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1369,1377,
&end
#
# 74 GLU HN 73 LEU HB+ 5.50 (# 1825:25 Unique 2.56, 3.26 A)
&rst
ixpk= 1825, nxpk= 25, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1127,1128,
&end
#
# 74 GLU HN 73 LEU HB- 5.50 (# 1826:25 Unique 2.56, 3.26 A)
&rst
ixpk= 1826, nxpk= 25, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1127,1128,
&end
#
# 55 ALA MB 60 ASP HB+ 5.50 (# 1828:25 Unique 3.45, 5.09 A)
&rst
ixpk= 1828, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 870, 871, 872,
igr2= 937, 938,
&end
#
# 0 AMB 25-2:1829 0 AMB 25-1:1829 4.50 (# 1829:25 Double Ambig)
&rst
ixpk= 1829, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
956, 957,
igr2= 937, 938, 937, 938,
&end
#
# 0 AMB 25-2:1835 62 ASN HB- 5.50 (# 1835:25 Single Ambig)
&rst
ixpk= 1835, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
956, 957,
igr2= 965, 966,
&end
#
# 0 AMB 25-2:1836 0 AMB 25-1:1836 5.50 (# 1836:25 Double Ambig)
&rst
ixpk= 1836, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.37, r4=11.87,
igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
956, 957, 510,
igr2= 965, 966, 965, 966, 543, 544,
&end
#
# 0 AMB 25-2:1837 0 AMB 25-1:1837 4.50 (# 1837:25 Double Ambig)
&rst
ixpk= 1837, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
1118,1119,
igr2=1161,1162,1161,1162,
&end
#
# 75 TYR HA 78 ASN HB+ 4.50 (# 1840:25 Unique 3.17, 3.71 A)
&rst
ixpk= 1840, nxpk= 25, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1208,1209,
&end
#
# 0 AMB 25-2:1841 24 TYR QB 4.50 (# 1841:25 Single Ambig)
&rst
ixpk= 1841, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1266,1271, 368, 373,
igr2= 362, 363,
&end
#
# 82 TYR HD 24 TYR QB 5.50 (# 1842:25 Unique 3.27, 4.31 A)
&rst
ixpk= 1842, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1264,1273,
igr2= 362, 363,
&end
#
# 34 ASP HN 34 ASP HB- 4.50 (# 1845:25 Unique 2.85, 3.21 A)
&rst
ixpk= 1845, nxpk= 25, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 543, 544,
&end
#
# 0 AMB 25-2:1846 62 ASN HB- 5.50 (# 1846:25 Single Ambig)
&rst
ixpk= 1846, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 947,1065,1066,
igr2= 965, 966,
&end
#
# 24 TYR HA 24 TYR QB 4.50 (# 1847:25 Unique 2.34, 2.76 A)
&rst
ixpk= 1847, nxpk= 25, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 362, 363,
&end
#
# 36 ARG HB- 34 ASP HB- 5.50 (# 1850:25 Unique 3.09, 5.62 A)
&rst
ixpk= 1850, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 570, 571,
igr2= 543, 544,
&end
#
# 0 AMB 25-2:1852 75 TYR HB- 5.50 (# 1852:25 Single Ambig)
&rst
ixpk= 1852, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1251,1252,1167,1172,
igr2=1161,1162,
&end
#
# 13 ALA MB 12 TYR HB+ 5.50 (# 1853:25 Unique 4.30, 6.22 A)
&rst
ixpk= 1853, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 197, 198, 199,
igr2= 176, 177,
&end
#
# 13 ALA MB 12 TYR HB- 5.50 (# 1854:25 Unique 4.30, 6.22 A)
&rst
ixpk= 1854, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 197, 198, 199,
igr2= 176, 177,
&end
#
# 0 AMB 25-2:1856 75 TYR HB- 4.50 (# 1856:25 Single Ambig)
&rst
ixpk= 1856, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1080,1081,1182,1183,
igr2=1161,1162,
&end
#
# 82 TYR HD 81 ASN HB+ 5.50 (# 1857:25 Unique 4.61, 7.31 A)
&rst
ixpk= 1857, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1264,1273,
igr2=1246,1247,
&end
#
# 82 TYR HD 81 ASN HB- 7.00 (# 1858:25 Unique 4.61, 7.31 A)
&rst
ixpk= 1858, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1264,1273,
igr2=1246,1247,
&end
#
# 78 ASN HB+ 81 ASN HB- 7.00 (# 1861:25 Unique 2.35, 4.62 A)
&rst
ixpk= 1861, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1208,1209,
igr2=1246,1247,
&end
#
# 65 TYR HD 71 GLU HG- 4.50 (# 1862:25 Unique 2.62, 5.61 A)
&rst
ixpk= 1862, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1014,1023,
igr2=1099,1100,
&end
#
# 65 TYR HD 71 GLU HG+ 4.50 (# 1863:25 Unique 2.62, 5.61 A)
&rst
ixpk= 1863, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1014,1023,
igr2=1099,1100,
&end
#
# 64 ARG HE 71 GLU HG- 5.50 (# 1864:25 Unique 2.80, 5.18 A)
&rst
ixpk= 1864, nxpk= 25, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1099,1100,
&end
#
# 72 VAL HN 71 GLU HG- 4.50 (# 1865:25 Unique 2.74, 3.34 A)
&rst
ixpk= 1865, nxpk= 25, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1099,1100,
&end
#
# 72 VAL HN 71 GLU HG+ 5.50 (# 1866:25 Unique 2.74, 3.34 A)
&rst
ixpk= 1866, nxpk= 25, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1099,1100,
&end
#
# 73 LEU HN 71 GLU HG+ 5.50 (# 1867:25 Unique 2.11, 3.38 A)
&rst
ixpk= 1867, nxpk= 25, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1099,1100,
&end
#
# 65 TYR HA 71 GLU HG- 5.50 (# 1870:25 Unique 3.86, 4.72 A)
&rst
ixpk= 1870, nxpk= 25, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1099,1100,
&end
#
# 0 AMB 25-2:1872 71 GLU HG- 5.50 (# 1872:25 Single Ambig)
&rst
ixpk= 1872, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1132,1133,1134,1136,1137,1138, 512, 513, 514, 516,
517, 518,1113,1114,1115,1117,1118,1119,1113,1114,
1115,1117,1118,1119,
igr2=1099,1100,
&end
#
# 0 AMB 25-2:1873 0 AMB 25-1:1873 5.50 (# 1873:25 Double Ambig)
&rst
ixpk= 1873, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.21, r4=13.71,
igr1=1132,1133,1134,1136,1137,1138, 512, 513, 514, 516,
517, 518,1113,1114,1115,1117,1118,1119,1113,1114,
1115,1117,1118,1119,
igr2=1099,1100,1099,1100,1099,1100,1099,1100,
&end
#
# 64 ARG HG+ 71 GLU HG- 5.50 (# 1875:25 Unique 2.57, 5.26 A)
&rst
ixpk= 1875, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 989, 990,
igr2=1099,1100,
&end
#
# 64 ARG QD 71 GLU HG- 5.50 (# 1876:25 Unique 2.48, 5.85 A)
&rst
ixpk= 1876, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 992, 993,
igr2=1099,1100,
&end
#
# 64 ARG QD 71 GLU HG+ 5.50 (# 1877:25 Unique 2.48, 5.85 A)
&rst
ixpk= 1877, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 992, 993,
igr2=1099,1100,
&end
#
# 0 AMB 25-2:1878 0 AMB 25-1:1878 5.50 (# 1878:25 Double Ambig)
&rst
ixpk= 1878, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 984,1144,
igr2=1099,1100,1099,1100,
&end
#
# 38 LEU HN 31 LYS QB 5.50 (# 1880:25 Unique 5.19, 5.45 A)
&rst
ixpk= 1880, nxpk= 25, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 485, 486,
&end
#
# 22 PHE HE 20 LYS HB- 7.00 (# 1882:25 Unique 2.32, 4.56 A)
&rst
ixpk= 1882, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 337, 341,
igr2= 295, 296,
&end
#
# 32 LEU HA 31 LYS QB 5.50 (# 1883:25 Unique 4.76, 5.47 A)
&rst
ixpk= 1883, nxpk= 25, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 485, 486,
&end
#
# 30 LEU HA 31 LYS QB 4.50 (# 1884:25 Unique 4.25, 5.15 A)
&rst
ixpk= 1884, nxpk= 25, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 485, 486,
&end
#
# 57 ASN HD2+ 57 ASN HB+ 4.50 (# 1885:25 Unique 2.20, 3.25 A)
&rst
ixpk= 1885, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 904, 905,
igr2= 899, 900,
&end
#
# 57 ASN HD2+ 57 ASN HB- 4.50 (# 1886:25 Unique 2.20, 3.25 A)
&rst
ixpk= 1886, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 904, 905,
igr2= 899, 900,
&end
#
# 58 GLY HN 57 ASN HB+ 5.50 (# 1887:25 Unique 4.21, 4.49 A)
&rst
ixpk= 1887, nxpk= 25, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 899, 900,
&end
#
# 58 GLY HN 57 ASN HB- 5.50 (# 1888:25 Unique 4.21, 4.49 A)
&rst
ixpk= 1888, nxpk= 25, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 899, 900,
&end
#
# 57 ASN HN 57 ASN HB+ 5.50 (# 1889:25 Unique 2.75, 3.57 A)
&rst
ixpk= 1889, nxpk= 25, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 899, 900,
&end
#
# 57 ASN HN 57 ASN HB- 5.50 (# 1890:25 Unique 2.75, 3.57 A)
&rst
ixpk= 1890, nxpk= 25, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 899, 900,
&end
#
# 56 ILE MG2 57 ASN HB- 4.50 (# 1891:25 Unique 2.88, 4.80 A)
&rst
ixpk= 1891, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 882, 883, 884,
igr2= 899, 900,
&end
#
# 56 ILE MG2 57 ASN HB+ 5.50 (# 1892:25 Unique 2.88, 4.80 A)
&rst
ixpk= 1892, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 882, 883, 884,
igr2= 899, 900,
&end
#
# 0 AMB 25-2:1893 17 GLU QG 5.50 (# 1893:25 Single Ambig)
&rst
ixpk= 1893, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1388,1381,
igr2= 258, 259,
&end
#
# 74 GLU HN 74 GLU HG+ 4.50 (# 1906:25 Unique 2.41, 4.05 A)
&rst
ixpk= 1906, nxpk= 25, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1149,1150,
&end
#
# 74 GLU HN 74 GLU HG- 4.50 (# 1907:25 Unique 2.41, 4.05 A)
&rst
ixpk= 1907, nxpk= 25, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1149,1150,
&end
#
# 77 GLY HN 74 GLU HG+ 7.00 (# 1908:25 Unique 5.26, 5.70 A)
&rst
ixpk= 1908, nxpk= 25, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1149,1150,
&end
#
# 77 GLY HN 74 GLU HG- 5.50 (# 1909:25 Unique 5.26, 5.70 A)
&rst
ixpk= 1909, nxpk= 25, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1149,1150,
&end
#
# 75 TYR HN 74 GLU HG+ 5.50 (# 1910:25 Unique 3.85, 4.45 A)
&rst
ixpk= 1910, nxpk= 25, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1149,1150,
&end
#
# 75 TYR HN 74 GLU HG- 4.50 (# 1911:25 Unique 3.85, 4.45 A)
&rst
ixpk= 1911, nxpk= 25, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1149,1150,
&end
#
# 34 ASP HA 35 GLU HG- 5.50 (# 1912:25 Unique 3.37, 4.43 A)
&rst
ixpk= 1912, nxpk= 25, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 558, 559,
&end
#
# 0 AMB 25-2:1914 84 VAL HB 5.50 (# 1914:25 Single Ambig)
&rst
ixpk= 1914, nxpk= 25, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1167,1172,1251,1252, 368, 373,
&end
#
# 82 TYR HE 25 PRO HB- 5.50 (# 1926:25 Unique 4.64, 6.95 A)
&rst
ixpk= 1926, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1266,1271,
igr2= 386, 387,
&end
#
# 82 TYR HE 25 PRO HB+ 5.50 (# 1927:25 Unique 4.64, 6.95 A)
&rst
ixpk= 1927, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1266,1271,
igr2= 386, 387,
&end
#
# 25 PRO HD+ 25 PRO HB+ 5.50 (# 1928:25 Unique 2.83, 3.69 A)
&rst
ixpk= 1928, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 380, 381,
igr2= 386, 387,
&end
#
# 25 PRO HD+ 25 PRO HB- 4.50 (# 1929:25 Unique 2.83, 3.69 A)
&rst
ixpk= 1929, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 380, 381,
igr2= 386, 387,
&end
#
# 60 ASP HN 59 MET HB+ 5.50 (# 1932:25 Unique 3.28, 4.02 A)
&rst
ixpk= 1932, nxpk= 25, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 920, 921,
&end
#
# 59 MET HN 59 MET HB- 4.50 (# 1933:25 Unique 2.36, 3.09 A)
&rst
ixpk= 1933, nxpk= 25, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 920, 921,
&end
#
# 37 VAL HN 36 ARG HB- 5.50 (# 1936:25 Unique 2.11, 3.32 A)
&rst
ixpk= 1936, nxpk= 25, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 570, 571,
&end
#
# 43 GLN HE2- 43 GLN QG 4.50 (# 1939:25 Unique 2.23, 3.33 A)
&rst
ixpk= 1939, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 690, 691,
igr2= 685, 686,
&end
#
# 0 AMB 25-2:1942 43 GLN QG 5.50 (# 1942:25 Single Ambig)
&rst
ixpk= 1942, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 783, 673, 674,
igr2= 685, 686,
&end
#
# 88 PHE HD 51 HIS HB- 5.50 (# 1945:25 Unique 2.38, 4.78 A)
&rst
ixpk= 1945, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1369,1377,
igr2= 808, 809,
&end
#
# 51 HIS HN 51 HIS HB+ 4.50 (# 1946:25 Unique 2.23, 2.96 A)
&rst
ixpk= 1946, nxpk= 25, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 808, 809,
&end
#
# 51 HIS HN 51 HIS HB- 4.50 (# 1947:25 Unique 2.23, 2.96 A)
&rst
ixpk= 1947, nxpk= 25, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 808, 809,
&end
#
# 88 PHE HD 51 HIS HB+ 5.50 (# 1949:25 Unique 2.38, 4.78 A)
&rst
ixpk= 1949, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1369,1377,
igr2= 808, 809,
&end
#
# 51 HIS HD2 51 HIS HB- 5.50 (# 1950:25 Unique 2.52, 3.24 A)
&rst
ixpk= 1950, nxpk= 25, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 808, 809,
&end
#
# 51 HIS HA 51 HIS HB+ 5.50 (# 1951:25 Unique 2.48, 2.80 A)
&rst
ixpk= 1951, nxpk= 25, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 808, 809,
&end
#
# 39 VAL MGX 51 HIS HB- 5.50 (# 1953:25 Unique 2.32, 4.93 A)
&rst
ixpk= 1953, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 631, 632, 633, 635, 636, 637,
igr2= 808, 809,
&end
#
# 0 AMB 25-2:1956 51 HIS HB- 5.50 (# 1956:25 Single Ambig)
&rst
ixpk= 1956, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 825, 826, 827, 610, 611,
igr2= 808, 809,
&end
#
# 0 AMB 25-2:1958 51 HIS HB- 5.50 (# 1958:25 Single Ambig)
&rst
ixpk= 1958, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 258, 259, 629,
igr2= 808, 809,
&end
#
# 52 ALA HA 53 VAL HB 5.50 (# 1960:25 Unique 4.70, 4.83 A)
&rst
ixpk= 1960, nxpk= 25, iat= 823, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1966 33 HIS HB- 5.50 (# 1966:25 Single Ambig)
&rst
ixpk= 1966, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 488, 489, 488, 489, 610, 611,
igr2= 526, 527,
&end
#
# 0 AMB 25-2:1967 0 AMB 25-1:1967 5.50 (# 1967:25 Double Ambig)
&rst
ixpk= 1967, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 488, 489, 610, 611,
igr2= 526, 527, 526, 527,
&end
#
# 32 LEU HA 33 HIS HB- 5.50 (# 1968:25 Unique 4.46, 4.73 A)
&rst
ixpk= 1968, nxpk= 25, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 526, 527,
&end
#
# 32 LEU HA 33 HIS HB+ 5.50 (# 1969:25 Unique 4.46, 4.73 A)
&rst
ixpk= 1969, nxpk= 25, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 526, 527,
&end
#
# 33 HIS HN 33 HIS HB- 4.50 (# 1970:25 Unique 2.74, 3.18 A)
&rst
ixpk= 1970, nxpk= 25, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 526, 527,
&end
#
# 34 ASP HN 33 HIS HB- 5.50 (# 1971:25 Unique 3.04, 4.04 A)
&rst
ixpk= 1971, nxpk= 25, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 526, 527,
&end
#
# 33 HIS HN 33 HIS HB+ 4.50 (# 1974:25 Unique 2.74, 3.18 A)
&rst
ixpk= 1974, nxpk= 25, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 526, 527,
&end
#
# 0 AMB 25-2:1975 64 ARG HB- 4.50 (# 1975:25 Single Ambig)
&rst
ixpk= 1975, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 995,1006,
igr2= 986, 987,
&end
#
# 65 TYR HE 64 ARG HB- 7.00 (# 1976:25 Unique 2.45, 5.68 A)
&rst
ixpk= 1976, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1016,1021,
igr2= 986, 987,
&end
#
# 64 ARG HN 64 ARG HB- 4.50 (# 1977:25 Unique 2.24, 3.44 A)
&rst
ixpk= 1977, nxpk= 25, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 986, 987,
&end
#
# 60 ASP HN 59 MET HG+ 5.50 (# 1978:25 Unique 4.42, 5.06 A)
&rst
ixpk= 1978, nxpk= 25, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 923, 924,
&end
#
# 60 ASP HN 59 MET HG- 5.50 (# 1979:25 Unique 4.42, 5.06 A)
&rst
ixpk= 1979, nxpk= 25, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 923, 924,
&end
#
# 51 HIS HN 39 VAL HB 4.50 (# 1983:25 Unique 2.10, 2.64 A)
&rst
ixpk= 1983, nxpk= 25, iat= 804, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1984 59 MET HG- 5.50 (# 1984:25 Single Ambig)
&rst
ixpk= 1984, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 911, 912,1043,
igr2= 923, 924,
&end
#
# 0 AMB 25-2:1985 0 AMB 25-1:1985 5.50 (# 1985:25 Double Ambig)
&rst
ixpk= 1985, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 911, 912,1043,
igr2= 923, 924, 923, 924,
&end
#
# 0 AMB 25-2:1986 59 MET HG- 5.50 (# 1986:25 Single Ambig)
&rst
ixpk= 1986, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 899, 900,1055,1056,
igr2= 923, 924,
&end
#
# 0 AMB 25-2:1987 0 AMB 25-1:1987 5.50 (# 1987:25 Double Ambig)
&rst
ixpk= 1987, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 899, 900,1055,1056,
igr2= 923, 924, 923, 924,
&end
#
# 63 GLY HA- 64 ARG HB+ 7.00 (# 1988:25 Unique 4.17, 5.36 A)
&rst
ixpk= 1988, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 977, 978,
igr2= 986, 987,
&end
#
# 80 ALA HA 79 PRO HB+ 5.50 (# 1989:25 Unique 4.46, 5.26 A)
&rst
ixpk= 1989, nxpk= 25, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1225,1226,
&end
#
# 79 PRO HD+ 79 PRO HB- 4.50 (# 1990:25 Unique 2.84, 3.69 A)
&rst
ixpk= 1990, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1219,1220,
igr2=1225,1226,
&end
#
# 78 ASN HA 79 PRO HB- 5.50 (# 1991:25 Unique 4.91, 5.35 A)
&rst
ixpk= 1991, nxpk= 25, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1225,1226,
&end
#
# 78 ASN HA 79 PRO HB+ 7.00 (# 1992:25 Unique 4.91, 5.35 A)
&rst
ixpk= 1992, nxpk= 25, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1225,1226,
&end
#
# 24 TYR HD 79 PRO HB+ 5.50 (# 1993:25 Unique 4.82, 7.93 A)
&rst
ixpk= 1993, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 366, 375,
igr2=1225,1226,
&end
#
# 82 TYR HE 79 PRO HB+ 5.50 (# 1994:25 Unique 3.10, 4.34 A)
&rst
ixpk= 1994, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1266,1271,
igr2=1225,1226,
&end
#
# 24 TYR HD 79 PRO HB- 5.50 (# 1995:25 Unique 4.82, 7.93 A)
&rst
ixpk= 1995, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 366, 375,
igr2=1225,1226,
&end
#
# 82 TYR HE 79 PRO HB- 4.50 (# 1996:25 Unique 3.10, 4.34 A)
&rst
ixpk= 1996, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1266,1271,
igr2=1225,1226,
&end
#
# 82 TYR HD 79 PRO HB+ 5.50 (# 1997:25 Unique 3.41, 4.49 A)
&rst
ixpk= 1997, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1264,1273,
igr2=1225,1226,
&end
#
# 82 TYR HD 79 PRO HB- 5.50 (# 1998:25 Unique 3.41, 4.49 A)
&rst
ixpk= 1998, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1264,1273,
igr2=1225,1226,
&end
#
# 80 ALA HN 79 PRO HB- 5.50 (# 1999:25 Unique 3.75, 4.22 A)
&rst
ixpk= 1999, nxpk= 25, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1225,1226,
&end
#
# 77 GLY HN 74 GLU HB- 5.50 (# 2006:25 Unique 5.14, 5.46 A)
&rst
ixpk= 2006, nxpk= 25, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1146,1147,
&end
#
# 65 TYR HE 71 GLU HB+ 5.50 (# 2010:25 Unique 2.44, 5.79 A)
&rst
ixpk= 2010, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1016,1021,
igr2=1096,1097,
&end
#
# 65 TYR HE 71 GLU HB- 5.50 (# 2011:25 Unique 2.44, 5.79 A)
&rst
ixpk= 2011, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1016,1021,
igr2=1096,1097,
&end
#
# 65 TYR HD 71 GLU HB- 5.50 (# 2012:25 Unique 2.74, 5.78 A)
&rst
ixpk= 2012, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1014,1023,
igr2=1096,1097,
&end
#
# 65 TYR HD 71 GLU HB+ 5.50 (# 2013:25 Unique 2.74, 5.78 A)
&rst
ixpk= 2013, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1014,1023,
igr2=1096,1097,
&end
#
# 72 VAL HN 71 GLU HB+ 5.50 (# 2014:25 Unique 3.35, 4.22 A)
&rst
ixpk= 2014, nxpk= 25, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1096,1097,
&end
#
# 73 LEU HN 71 GLU HB+ 5.50 (# 2016:25 Unique 3.20, 4.57 A)
&rst
ixpk= 2016, nxpk= 25, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1096,1097,
&end
#
# 73 LEU HN 71 GLU HB- 5.50 (# 2017:25 Unique 3.20, 4.57 A)
&rst
ixpk= 2017, nxpk= 25, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1096,1097,
&end
#
# 74 GLU HN 71 GLU HB- 5.50 (# 2018:25 Unique 2.87, 3.80 A)
&rst
ixpk= 2018, nxpk= 25, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1096,1097,
&end
#
# 0 AMB 25-2:2019 0 AMB 25-1:2019 5.50 (# 2019:25 Double Ambig)
&rst
ixpk= 2019, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
1118,1119,1113,1114,1115,1117,1118,1119,
igr2=1096,1097,1096,1097,1096,1097,
&end
#
# 0 AMB 25-2:2020 71 GLU HB- 4.50 (# 2020:25 Single Ambig)
&rst
ixpk= 2020, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
1118,1119,1113,1114,1115,1117,1118,1119,
igr2=1096,1097,
&end
#
# 75 TYR HE 70 LYS QD 4.50 (# 2021:25 Unique 4.67, 7.06 A)
&rst
ixpk= 2021, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1167,1172,
igr2=1080,1081,
&end
#
# 0 AMB 25-2:2024 70 LYS QD 5.50 (# 2024:25 Single Ambig)
&rst
ixpk= 2024, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1063,1051,
igr2=1080,1081,
&end
#
# 32 LEU HN 31 LYS QD 4.50 (# 2026:25 Unique 3.27, 4.29 A)
&rst
ixpk= 2026, nxpk= 25, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 491, 492,
&end
#
# 71 GLU HN 70 LYS QD 4.50 (# 2027:25 Unique 4.12, 4.73 A)
&rst
ixpk= 2027, nxpk= 25, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1080,1081,
&end
#
# 37 VAL HA 31 LYS QD 4.50 (# 2028:25 Unique 4.20, 5.31 A)
&rst
ixpk= 2028, nxpk= 25, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 491, 492,
&end
#
# 86 ILE HA 56 ILE HG1- 4.50 (# 2030:25 Unique 3.13, 3.83 A)
&rst
ixpk= 2030, nxpk= 25, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 886, 887,
&end
#
# 86 ILE MG2 56 ILE HG1+ 5.50 (# 2031:25 Unique 2.21, 3.81 A)
&rst
ixpk= 2031, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1324,1325,1326,
igr2= 886, 887,
&end
#
# 56 ILE HA 56 ILE HG1+ 4.50 (# 2033:25 Unique 2.53, 2.87 A)
&rst
ixpk= 2033, nxpk= 25, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 886, 887,
&end
#
# 86 ILE HA 56 ILE HG1+ 5.50 (# 2034:25 Unique 3.13, 3.83 A)
&rst
ixpk= 2034, nxpk= 25, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 886, 887,
&end
#
# 56 ILE HN 56 ILE HG1+ 5.50 (# 2038:25 Unique 2.99, 3.70 A)
&rst
ixpk= 2038, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 886, 887,
&end
#
# 56 ILE HN 56 ILE HG1- 5.50 (# 2039:25 Unique 2.99, 3.70 A)
&rst
ixpk= 2039, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 886, 887,
&end
#
# 86 ILE HN 86 ILE HG1- 5.50 (# 2045:25 Unique 2.67, 3.49 A)
&rst
ixpk= 2045, nxpk= 25, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1328,1329,
&end
#
# 57 ASN HN 56 ILE HG1- 5.50 (# 2047:25 Unique 4.32, 4.78 A)
&rst
ixpk= 2047, nxpk= 25, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 886, 887,
&end
#
# 57 ASN HN 56 ILE HG1+ 5.50 (# 2048:25 Unique 4.32, 4.78 A)
&rst
ixpk= 2048, nxpk= 25, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 886, 887,
&end
#
# 38 LEU HA 38 LEU HG 5.50 (# 2054:25 Unique 2.45, 3.09 A)
&rst
ixpk= 2054, nxpk= 25, iat= 608, 613, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LYS HN 30 LEU HG 5.50 (# 2056:25 Unique 2.80, 4.59 A)
&rst
ixpk= 2056, nxpk= 25, iat= 481, 469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ASN HA 79 PRO HG- 5.50 (# 2065:25 Unique 4.42, 4.55 A)
&rst
ixpk= 2065, nxpk= 25, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1222,1223,
&end
#
# 36 ARG HN 32 LEU MDY 5.50 (# 2069:25 Unique 2.45, 5.03 A)
&rst
ixpk= 2069, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 512, 513, 514, 516, 517, 518,
&end
#
# 71 GLU HN 70 LYS QG 5.50 (# 2075:25 Unique 3.85, 5.31 A)
&rst
ixpk= 2075, nxpk= 25, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1077,1078,
&end
#
# 65 TYR HD 64 ARG HG+ 4.50 (# 2076:25 Unique 2.62, 4.66 A)
&rst
ixpk= 2076, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1014,1023,
igr2= 989, 990,
&end
#
# 65 TYR HE 64 ARG HG+ 5.50 (# 2077:25 Unique 2.71, 4.34 A)
&rst
ixpk= 2077, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1016,1021,
igr2= 989, 990,
&end
#
# 75 TYR HD 70 LYS QG 5.50 (# 2078:25 Unique 2.17, 4.91 A)
&rst
ixpk= 2078, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1165,1174,
igr2=1077,1078,
&end
#
# 31 LYS HN 31 LYS HG+ 5.50 (# 2083:25 Unique 2.36, 3.65 A)
&rst
ixpk= 2083, nxpk= 25, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 488, 489,
&end
#
# 32 LEU HN 31 LYS HG+ 5.50 (# 2084:25 Unique 3.16, 4.41 A)
&rst
ixpk= 2084, nxpk= 25, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 488, 489,
&end
#
# 38 LEU HN 31 LYS HG- 5.50 (# 2090:25 Unique 3.52, 4.77 A)
&rst
ixpk= 2090, nxpk= 25, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 488, 489,
&end
#
# 30 LEU HA 31 LYS HG- 5.50 (# 2093:25 Unique 3.75, 5.19 A)
&rst
ixpk= 2093, nxpk= 25, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 488, 489,
&end
#
# 30 LEU HA 31 LYS HG+ 5.50 (# 2094:25 Unique 3.75, 5.19 A)
&rst
ixpk= 2094, nxpk= 25, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 488, 489,
&end
#
# 32 LEU HA 31 LYS HG- 5.50 (# 2095:25 Unique 4.12, 5.60 A)
&rst
ixpk= 2095, nxpk= 25, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 488, 489,
&end
#
# 0 AMB 25-2:2096 52 ALA MB 5.50 (# 2096:25 Single Ambig)
&rst
ixpk= 2096, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 808, 809,1365,1366,
igr2= 825, 826, 827,
&end
#
# 88 PHE HB- 52 ALA MB 5.50 (# 2097:25 Unique 5.23, 6.71 A)
&rst
ixpk= 2097, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1365,1366,
igr2= 825, 826, 827,
&end
#
# 0 AMB 25-2:2098 52 ALA MB 5.50 (# 2098:25 Single Ambig)
&rst
ixpk= 2098, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 833, 808, 809,
igr2= 825, 826, 827,
&end
#
# 52 ALA HN 39 VAL MGY 5.50 (# 2100:25 Unique 4.11, 7.05 A)
&rst
ixpk= 2100, nxpk= 25, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 631, 632, 633, 635, 636, 637,
&end
#
# 57 ASN HN 0 AMB 25-1:2101 7.00 (# 2101:25 Single Ambig)
&rst
ixpk= 2101, nxpk= 25, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 870, 871, 872, 319, 320, 321,
&end
#
# 51 HIS HD2 52 ALA MB 5.50 (# 2105:25 Unique 5.53, 6.71 A)
&rst
ixpk= 2105, nxpk= 25, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 825, 826, 827,
&end
#
# 88 PHE HD 52 ALA MB 7.00 (# 2106:25 Unique 5.13, 7.97 A)
&rst
ixpk= 2106, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1369,1377,
igr2= 825, 826, 827,
&end
#
# 88 PHE HA 53 VAL MGY 5.50 (# 2114:25 Unique 4.01, 5.30 A)
&rst
ixpk= 2114, nxpk= 25, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 837, 838, 839, 841, 842, 843,
&end
#
# 52 ALA HA 53 VAL MGY 5.50 (# 2115:25 Unique 3.63, 5.75 A)
&rst
ixpk= 2115, nxpk= 25, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 837, 838, 839, 841, 842, 843,
&end
#
# 22 PHE HN 84 VAL MGY 5.50 (# 2117:25 Unique 2.96, 5.53 A)
&rst
ixpk= 2117, nxpk= 25, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1297,1298,1299,1301,1302,1303,
&end
#
# 38 LEU HN 40 ALA MB 5.50 (# 2119:25 Unique 5.09, 6.54 A)
&rst
ixpk= 2119, nxpk= 25, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 645, 646, 647,
&end
#
# 41 PHE HD 49 VAL MGY 5.50 (# 2120:25 Unique 3.22, 6.59 A)
&rst
ixpk= 2120, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 659, 667,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 90 ARG HN 16 ALA MB 5.50 (# 2127:25 Unique 3.07, 5.25 A)
&rst
ixpk= 2127, nxpk= 25, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 245, 246, 247,
&end
#
# 56 ILE HG1+ 86 ILE MG2 4.50 (# 2129:25 Unique 2.21, 3.81 A)
&rst
ixpk= 2129, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 886, 887,
igr2=1324,1325,1326,
&end
#
# 53 VAL HB 86 ILE MG2 4.50 (# 2130:25 Unique 2.69, 5.09 A)
&rst
ixpk= 2130, nxpk= 25, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1324,1325,1326,
&end
#
# 53 VAL HA 86 ILE MG2 5.50 (# 2131:25 Unique 3.57, 4.30 A)
&rst
ixpk= 2131, nxpk= 25, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1324,1325,1326,
&end
#
# 56 ILE HA 86 ILE MG2 4.50 (# 2132:25 Unique 3.21, 4.43 A)
&rst
ixpk= 2132, nxpk= 25, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1324,1325,1326,
&end
#
# 22 PHE HE 86 ILE MG2 5.50 (# 2134:25 Unique 4.04, 6.39 A)
&rst
ixpk= 2134, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 337, 341,
igr2=1324,1325,1326,
&end
#
# 0 AMB 25-2:2135 86 ILE MG2 5.50 (# 2135:25 Single Ambig)
&rst
ixpk= 2135, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 866, 335, 343,
igr2=1324,1325,1326,
&end
#
# 54 LEU HN 86 ILE MG2 5.50 (# 2136:25 Unique 3.79, 4.64 A)
&rst
ixpk= 2136, nxpk= 25, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1324,1325,1326,
&end
#
# 86 ILE HN 86 ILE MG2 4.50 (# 2137:25 Unique 4.44, 4.81 A)
&rst
ixpk= 2137, nxpk= 25, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1324,1325,1326,
&end
#
# 0 AMB 25-2:2138 67 ALA MB 7.00 (# 2138:25 Single Ambig)
&rst
ixpk= 2138, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1055,1056, 965, 966,
igr2=1045,1046,1047,
&end
#
# 61 VAL HN 67 ALA MB 5.50 (# 2140:25 Unique 5.63, 6.83 A)
&rst
ixpk= 2140, nxpk= 25, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1045,1046,1047,
&end
#
# 78 ASN HA 80 ALA MB 5.50 (# 2141:25 Unique 5.36, 6.10 A)
&rst
ixpk= 2141, nxpk= 25, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1236,1237,1238,
&end
#
# 81 ASN HD2- 80 ALA MB 5.50 (# 2142:25 Unique 3.77, 7.02 A)
&rst
ixpk= 2142, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1251,1252,
igr2=1236,1237,1238,
&end
#
# 75 TYR HA 56 ILE MG2 7.00 (# 2145:25 Unique 6.68, 7.94 A)
&rst
ixpk= 2145, nxpk= 25, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 882, 883, 884,
&end
#
# 0 AMB 25-2:2146 56 ILE MG2 5.50 (# 2146:25 Single Ambig)
&rst
ixpk= 2146, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1311,1312,1311,1312,
igr2= 882, 883, 884,
&end
#
# 58 GLY HN 56 ILE MG2 5.50 (# 2153:25 Unique 4.92, 5.65 A)
&rst
ixpk= 2153, nxpk= 25, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 882, 883, 884,
&end
#
# 53 VAL HA 0 AMB 25-1:2156 5.50 (# 2156:25 Single Ambig)
&rst
ixpk= 2156, nxpk= 25, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 889, 890, 891,1331,1332,1333,
&end
#
# 0 AMB 25-2:2157 56 ILE MD1 5.50 (# 2157:25 Single Ambig)
&rst
ixpk= 2157, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1125,1159,
igr2= 889, 890, 891,
&end
#
# 61 VAL HA 56 ILE MD1 5.50 (# 2158:25 Unique 5.41, 6.65 A)
&rst
ixpk= 2158, nxpk= 25, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 889, 890, 891,
&end
#
# 76 LEU HN 56 ILE MD1 4.50 (# 2159:25 Unique 4.58, 5.41 A)
&rst
ixpk= 2159, nxpk= 25, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 889, 890, 891,
&end
#
# 0 AMB 25-2:2160 0 AMB 25-1:2160 5.50 (# 2160:25 Double Ambig)
&rst
ixpk= 2160, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1107, 847, 961,
igr2= 889, 890, 891,1331,1332,1333,
&end
#
# 86 ILE HN 86 ILE MD1 4.50 (# 2161:25 Unique 3.81, 5.17 A)
&rst
ixpk= 2161, nxpk= 25, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1331,1332,1333,
&end
#
# 57 ASN HN 86 ILE MD1 5.50 (# 2162:25 Unique 3.40, 6.38 A)
&rst
ixpk= 2162, nxpk= 25, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1331,1332,1333,
&end
#
# 12 TYR HE 11 SER QB 5.50 (# 2168:25 Unique 3.54, 6.49 A)
&rst
ixpk= 2168, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 182, 187,
igr2= 165, 166,
&end
#
# 11 SER QB 12 TYR HB+ 5.50 (# 2171:25 Unique 3.62, 5.68 A)
&rst
ixpk= 2171, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 165, 166,
igr2= 176, 177,
&end
#
# 11 SER QB 12 TYR HB- 5.50 (# 2172:25 Unique 3.62, 5.68 A)
&rst
ixpk= 2172, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 165, 166,
igr2= 176, 177,
&end
#
# 0 AMB 25-2:2177 0 AMB 25-1:2177 3.50 (# 2177:25 Double Ambig)
&rst
ixpk= 2177, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 856, 857, 858, 860, 861, 862, 510, 512, 513, 514,
516, 517, 518,
igr2= 253, 524,
&end
#
# 86 ILE HN 21 THR HA 5.50 (# 2179:25 Unique 3.14, 3.45 A)
&rst
ixpk= 2179, nxpk= 25, iat=1318, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2181 0 AMB 25-1:2181 5.50 (# 2181:25 Double Ambig)
&rst
ixpk= 2181, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1297,1298,1299,1301,1302,1303,1331,1332,1333,
igr2= 331, 332, 331, 332,
&end
#
# 30 LEU HA 30 LEU HG 4.50 (# 2183:25 Unique 2.51, 3.17 A)
&rst
ixpk= 2183, nxpk= 25, iat= 464, 469, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 LEU HN 31 LYS QD 5.50 (# 2185:25 Unique 2.87, 4.04 A)
&rst
ixpk= 2185, nxpk= 25, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 491, 492,
&end
#
# 37 VAL HA 32 LEU HB- 5.50 (# 2186:25 Unique 3.61, 4.72 A)
&rst
ixpk= 2186, nxpk= 25, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 507, 508,
&end
#
# 34 ASP HN 33 HIS HB+ 5.50 (# 2189:25 Unique 3.04, 4.04 A)
&rst
ixpk= 2189, nxpk= 25, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 526, 527,
&end
#
# 36 ARG HN 34 ASP HA 5.50 (# 2190:25 Unique 4.31, 4.43 A)
&rst
ixpk= 2190, nxpk= 25, iat= 566, 541, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 ARG HB- 34 ASP HB+ 7.00 (# 2192:25 Unique 3.09, 5.62 A)
&rst
ixpk= 2192, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 570, 571,
igr2= 543, 544,
&end
#
# 0 AMB 25-2:2193 0 AMB 25-1:2193 5.50 (# 2193:25 Double Ambig)
&rst
ixpk= 2193, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
620, 621,
igr2= 543, 544, 543, 544,
&end
#
# 36 ARG HN 35 GLU HB+ 5.50 (# 2194:25 Unique 4.11, 4.39 A)
&rst
ixpk= 2194, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 555, 556,
&end
#
# 36 ARG HN 35 GLU HB- 5.50 (# 2195:25 Unique 4.11, 4.39 A)
&rst
ixpk= 2195, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 555, 556,
&end
#
# 0 AMB 25-2:2196 0 AMB 25-1:2196 7.00 (# 2196:25 Double Ambig)
&rst
ixpk= 2196, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 541, 984,
igr2= 555, 556, 555, 556,
&end
#
# 0 AMB 25-2:2197 0 AMB 25-1:2197 5.50 (# 2197:25 Double Ambig)
&rst
ixpk= 2197, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
igr1= 512, 513, 514, 516, 517, 518, 510,
igr2= 555, 556, 555, 556,
&end
#
# 32 LEU MDX 35 GLU HB+ 5.50 (# 2198:25 Unique 4.05, 6.50 A)
&rst
ixpk= 2198, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 512, 513, 514, 516, 517, 518,
igr2= 555, 556,
&end
#
# 36 ARG HN 35 GLU HG- 5.50 (# 2199:25 Unique 4.23, 5.26 A)
&rst
ixpk= 2199, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 558, 559,
&end
#
# 34 ASP HB+ 35 GLU HG- 5.50 (# 2201:25 Unique 5.26, 6.60 A)
&rst
ixpk= 2201, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 543, 544,
igr2= 558, 559,
&end
#
# 0 AMB 25-2:2202 35 GLU HG- 4.50 (# 2202:25 Single Ambig)
&rst
ixpk= 2202, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
517, 518, 510,
igr2= 558, 559,
&end
#
# 63 GLY HA- 36 ARG HB- 7.00 (# 2205:25 Unique 2.80, 5.22 A)
&rst
ixpk= 2205, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 977, 978,
igr2= 570, 571,
&end
#
# 63 GLY HA- 36 ARG HB+ 7.00 (# 2206:25 Unique 2.80, 5.22 A)
&rst
ixpk= 2206, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 977, 978,
igr2= 570, 571,
&end
#
# 36 ARG HA 36 ARG HB+ 3.50 (# 2207:25 Unique 2.24, 2.80 A)
&rst
ixpk= 2207, nxpk= 25, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 570, 571,
&end
#
# 0 AMB 25-2:2208 0 AMB 25-1:2208 2.50 (# 2208:25 Double Ambig)
&rst
ixpk= 2208, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
620, 621,
igr2= 570, 571, 570, 571,
&end
#
# 36 ARG HN 37 VAL HA 5.50 (# 2209:25 Unique 4.56, 4.73 A)
&rst
ixpk= 2209, nxpk= 25, iat= 566, 592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LEU HA 0 AMB 25-1:2210 5.50 (# 2210:25 Single Ambig)
&rst
ixpk= 2210, nxpk= 25, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 592,1422,
&end
#
# 39 VAL HA 38 LEU HA 5.50 (# 2211:25 Unique 4.35, 4.42 A)
&rst
ixpk= 2211, nxpk= 25, iat= 627, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2212 38 LEU HA 5.50 (# 2212:25 Single Ambig)
&rst
ixpk= 2212, nxpk= 25, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 799, 800, 643,
&end
#
# 50 GLY HN 39 VAL HB 4.50 (# 2217:25 Unique 2.32, 2.67 A)
&rst
ixpk= 2217, nxpk= 25, iat= 797, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 LEU HA 39 VAL HB 5.50 (# 2218:25 Unique 4.62, 4.73 A)
&rst
ixpk= 2218, nxpk= 25, iat= 608, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 VAL HA 39 VAL HB 5.50 (# 2219:25 Unique 3.03, 3.04 A)
&rst
ixpk= 2219, nxpk= 25, iat= 627, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 PHE HD 40 ALA MB 5.50 (# 2221:25 Unique 2.65, 6.63 A)
&rst
ixpk= 2221, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 659, 667,
igr2= 645, 646, 647,
&end
#
# 39 VAL MGY 41 PHE HA 5.50 (# 2228:25 Unique 3.20, 6.02 A)
&rst
ixpk= 2228, nxpk= 25, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 631, 632, 633, 635, 636, 637,
&end
#
# 29 LEU HB- 41 PHE HA 5.50 (# 2229:25 Unique 4.17, 5.15 A)
&rst
ixpk= 2229, nxpk= 25, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 447, 448,
&end
#
# 0 AMB 25-2:2230 41 PHE HA 4.50 (# 2230:25 Single Ambig)
&rst
ixpk= 2230, nxpk= 25, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 785, 447, 448,
&end
#
# 39 VAL MGY 42 GLY HA- 4.50 (# 2232:25 Unique 2.44, 5.67 A)
&rst
ixpk= 2232, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 631, 632, 633, 635, 636, 637,
igr2= 673, 674,
&end
#
# 43 GLN HE2- 49 VAL MGY 5.50 (# 2235:25 Unique 2.84, 6.29 A)
&rst
ixpk= 2235, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 690, 691,
igr2= 787, 788, 789, 791, 792, 793,
&end
#
# 38 LEU HB- 50 GLY HA- 5.50 (# 2240:25 Unique 2.23, 4.67 A)
&rst
ixpk= 2240, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 610, 611,
igr2= 799, 800,
&end
#
# 38 LEU HB- 50 GLY HA+ 5.50 (# 2241:25 Unique 2.23, 4.67 A)
&rst
ixpk= 2241, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 610, 611,
igr2= 799, 800,
&end
#
# 0 AMB 25-2:2242 52 ALA HA 5.50 (# 2242:25 Single Ambig)
&rst
ixpk= 2242, nxpk= 25, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 806,1390,
&end
#
# 0 AMB 25-2:2243 52 ALA HA 5.50 (# 2243:25 Single Ambig)
&rst
ixpk= 2243, nxpk= 25, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 833, 808, 809,
&end
#
# 52 ALA HA 53 VAL HA 5.50 (# 2246:25 Unique 4.28, 4.43 A)
&rst
ixpk= 2246, nxpk= 25, iat= 823, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2247 53 VAL HA 5.50 (# 2247:25 Single Ambig)
&rst
ixpk= 2247, nxpk= 25, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 849, 806,
&end
#
# 88 PHE HB+ 53 VAL HA 5.50 (# 2248:25 Unique 2.16, 3.52 A)
&rst
ixpk= 2248, nxpk= 25, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1365,1366,
&end
#
# 75 TYR HD 70 LYS HB+ 5.50 (# 2249:25 Unique 2.65, 4.24 A)
&rst
ixpk= 2249, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1165,1174,
igr2=1074,1075,
&end
#
# 86 ILE MG2 53 VAL HB 5.50 (# 2250:25 Unique 2.69, 5.09 A)
&rst
ixpk= 2250, nxpk= 25, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1324,1325,1326,
&end
#
# 54 LEU HN 54 LEU HB+ 4.50 (# 2252:25 Unique 2.39, 3.06 A)
&rst
ixpk= 2252, nxpk= 25, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 851, 852,
&end
#
# 54 LEU HN 54 LEU HB- 5.50 (# 2253:25 Unique 2.39, 3.06 A)
&rst
ixpk= 2253, nxpk= 25, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 851, 852,
&end
#
# 55 ALA HN 54 LEU HB+ 5.50 (# 2254:25 Unique 2.62, 3.34 A)
&rst
ixpk= 2254, nxpk= 25, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 851, 852,
&end
#
# 55 ALA HN 54 LEU HB- 5.50 (# 2255:25 Unique 2.62, 3.34 A)
&rst
ixpk= 2255, nxpk= 25, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 851, 852,
&end
#
# 54 LEU HA 54 LEU HB- 4.50 (# 2256:25 Unique 2.45, 2.80 A)
&rst
ixpk= 2256, nxpk= 25, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 851, 852,
&end
#
# 86 ILE HG1+ 56 ILE HA 5.50 (# 2258:25 Unique 2.74, 3.97 A)
&rst
ixpk= 2258, nxpk= 25, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1328,1329,
&end
#
# 76 LEU HG 56 ILE MG2 5.50 (# 2260:25 Unique 3.17, 4.74 A)
&rst
ixpk= 2260, nxpk= 25, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 882, 883, 884,
&end
#
# 0 AMB 25-2:2263 0 AMB 25-1:2263 5.50 (# 2263:25 Double Ambig)
&rst
ixpk= 2263, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 904, 905, 866, 945,
igr2= 889, 890, 891,1331,1332,1333,
&end
#
# 85 SER HB+ 57 ASN HB+ 5.50 (# 2264:25 Unique 4.05, 5.76 A)
&rst
ixpk= 2264, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1311,1312,
igr2= 899, 900,
&end
#
# 51 HIS HD2 89 GLY QA 5.50 (# 2266:25 Unique 2.26, 3.48 A)
&rst
ixpk= 2266, nxpk= 25, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1383,1384,
&end
#
# 66 THR MG2 59 MET HG- 5.50 (# 2270:25 Unique 4.22, 6.67 A)
&rst
ixpk= 2270, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1033,1034,1035,
igr2= 923, 924,
&end
#
# 58 GLY HA- 59 MET HG+ 5.50 (# 2271:25 Unique 4.02, 5.55 A)
&rst
ixpk= 2271, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 911, 912,
igr2= 923, 924,
&end
#
# 58 GLY HA- 59 MET HG- 5.50 (# 2272:25 Unique 4.02, 5.55 A)
&rst
ixpk= 2272, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 911, 912,
igr2= 923, 924,
&end
#
# 60 ASP HA 60 ASP HB- 3.50 (# 2279:25 Unique 2.38, 2.73 A)
&rst
ixpk= 2279, nxpk= 25, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 937, 938,
&end
#
# 55 ALA MB 60 ASP HB- 5.50 (# 2280:25 Unique 3.45, 5.09 A)
&rst
ixpk= 2280, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 870, 871, 872,
igr2= 937, 938,
&end
#
# 0 AMB 25-2:2281 60 ASP HB- 5.50 (# 2281:25 Single Ambig)
&rst
ixpk= 2281, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
956, 957,
igr2= 937, 938,
&end
#
# 67 ALA MB 60 ASP HB- 5.50 (# 2282:25 Unique 3.59, 5.80 A)
&rst
ixpk= 2282, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1045,1046,1047,
igr2= 937, 938,
&end
#
# 62 ASN HA 61 VAL HA 5.50 (# 2284:25 Unique 4.41, 4.45 A)
&rst
ixpk= 2284, nxpk= 25, iat= 963, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 MET HA 61 VAL HA 7.00 (# 2285:25 Unique 5.70, 6.11 A)
&rst
ixpk= 2285, nxpk= 25, iat= 918, 947, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 55 ALA MB 61 VAL HA 5.50 (# 2286:25 Unique 6.08, 6.69 A)
&rst
ixpk= 2286, nxpk= 25, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 870, 871, 872,
&end
#
# 53 VAL HA 53 VAL HB 5.50 (# 2287:25 Unique 2.22, 2.90 A)
&rst
ixpk= 2287, nxpk= 25, iat= 833, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 TYR HE 64 ARG HB+ 5.50 (# 2289:25 Unique 2.45, 5.68 A)
&rst
ixpk= 2289, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1016,1021,
igr2= 986, 987,
&end
#
# 0 AMB 25-2:2290 64 ARG HG- 5.50 (# 2290:25 Single Ambig)
&rst
ixpk= 2290, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 995,1006,
igr2= 989, 990,
&end
#
# 64 ARG HA 64 ARG HG+ 4.50 (# 2291:25 Unique 2.55, 3.73 A)
&rst
ixpk= 2291, nxpk= 25, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 989, 990,
&end
#
# 59 MET HG+ 66 THR HB 7.00 (# 2295:25 Unique 3.67, 4.93 A)
&rst
ixpk= 2295, nxpk= 25, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 923, 924,
&end
#
# 67 ALA MB 68 ASP HA 5.50 (# 2300:25 Unique 4.35, 4.92 A)
&rst
ixpk= 2300, nxpk= 25, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1045,1046,1047,
&end
#
# 71 GLU HN 70 LYS QE 7.00 (# 2301:25 Unique 3.08, 5.98 A)
&rst
ixpk= 2301, nxpk= 25, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1083,1084,
&end
#
# 0 AMB 25-2:2302 0 AMB 25-1:2302 5.50 (# 2302:25 Double Ambig)
&rst
ixpk= 2302, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 986, 987, 197, 198, 199,
igr2=1094, 163,
&end
#
# 72 VAL HN 73 LEU HA 5.50 (# 2303:25 Unique 5.42, 5.48 A)
&rst
ixpk= 2303, nxpk= 25, iat=1107,1125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2307 0 AMB 25-1:2307 5.50 (# 2307:25 Double Ambig)
&rst
ixpk= 2307, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1149,1150,1146,1147,
igr2=1127,1128,1127,1128,
&end
#
# 0 AMB 25-2:2308 73 LEU HB- 5.50 (# 2308:25 Single Ambig)
&rst
ixpk= 2308, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1149,1150,1146,1147,
igr2=1127,1128,
&end
#
# 73 LEU HN 74 GLU HA 5.50 (# 2309:25 Unique 5.05, 5.34 A)
&rst
ixpk= 2309, nxpk= 25, iat=1123,1144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ASN HN 74 GLU HA 5.50 (# 2310:25 Unique 3.87, 4.12 A)
&rst
ixpk= 2310, nxpk= 25, iat=1204,1144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 LEU HB- 74 GLU HA 5.50 (# 2312:25 Unique 4.20, 4.50 A)
&rst
ixpk= 2312, nxpk= 25, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1127,1128,
&end
#
# 75 TYR HB- 74 GLU HA 7.00 (# 2314:25 Unique 5.77, 5.84 A)
&rst
ixpk= 2314, nxpk= 25, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1161,1162,
&end
#
# 73 LEU MDX 74 GLU HA 5.50 (# 2315:25 Unique 6.50, 7.22 A)
&rst
ixpk= 2315, nxpk= 25, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1132,1133,1134,1136,1137,1138,
&end
#
# 71 GLU HN 74 GLU HB+ 5.50 (# 2316:25 Unique 3.27, 4.16 A)
&rst
ixpk= 2316, nxpk= 25, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1146,1147,
&end
#
# 71 GLU HN 74 GLU HG- 5.50 (# 2317:25 Unique 4.46, 5.59 A)
&rst
ixpk= 2317, nxpk= 25, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1149,1150,
&end
#
# 71 GLU HN 74 GLU HG+ 7.00 (# 2318:25 Unique 4.46, 5.59 A)
&rst
ixpk= 2318, nxpk= 25, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1149,1150,
&end
#
# 74 GLU HN 75 TYR HA 5.50 (# 2319:25 Unique 5.07, 5.14 A)
&rst
ixpk= 2319, nxpk= 25, iat=1142,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 TYR HA 75 TYR HB+ 4.50 (# 2320:25 Unique 2.46, 2.78 A)
&rst
ixpk= 2320, nxpk= 25, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1161,1162,
&end
#
# 76 LEU MDX 76 LEU HB- 3.50 (# 2321:25 Unique 2.41, 3.31 A)
&rst
ixpk= 2321, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1187,1188,1189,1191,1192,1193,
igr2=1182,1183,
&end
#
# 75 TYR HD 76 LEU HG 5.50 (# 2322:25 Unique 2.50, 4.76 A)
&rst
ixpk= 2322, nxpk= 25, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1165,1174,
&end
#
# 78 ASN HA 77 GLY HA- 5.50 (# 2323:25 Unique 4.42, 4.68 A)
&rst
ixpk= 2323, nxpk= 25, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1199,1200,
&end
#
# 0 AMB 25-2:2325 77 GLY HA- 7.00 (# 2325:25 Single Ambig)
&rst
ixpk= 2325, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1182,1183,1127,1128,
igr2=1199,1200,
&end
#
# 0 AMB 25-2:2326 0 AMB 25-1:2326 5.50 (# 2326:25 Double Ambig)
&rst
ixpk= 2326, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1182,1183,1127,1128,
igr2=1199,1200,1199,1200,
&end
#
# 24 TYR HN 79 PRO HA 7.00 (# 2327:25 Unique 5.77, 6.28 A)
&rst
ixpk= 2327, nxpk= 25, iat= 358,1228, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 79 PRO HD+ 79 PRO HA 5.50 (# 2328:25 Unique 3.45, 3.78 A)
&rst
ixpk= 2328, nxpk= 25, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1219,1220,
&end
#
# 24 TYR QB 79 PRO HB- 5.50 (# 2329:25 Unique 5.19, 6.60 A)
&rst
ixpk= 2329, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 362, 363,
igr2=1225,1226,
&end
#
# 24 TYR QB 79 PRO HB+ 7.00 (# 2330:25 Unique 5.19, 6.60 A)
&rst
ixpk= 2330, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 362, 363,
igr2=1225,1226,
&end
#
# 79 PRO HG+ 80 ALA HA 5.50 (# 2334:25 Unique 4.55, 5.45 A)
&rst
ixpk= 2334, nxpk= 25, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1222,1223,
&end
#
# 0 AMB 25-2:2335 81 ASN HB- 7.00 (# 2335:25 Single Ambig)
&rst
ixpk= 2335, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1213,1214,1204,
igr2=1246,1247,
&end
#
# 57 ASN HD2- 84 VAL HB 5.50 (# 2336:25 Unique 2.73, 4.34 A)
&rst
ixpk= 2336, nxpk= 25, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 904, 905,
&end
#
# 57 ASN HA 85 SER HA 5.50 (# 2338:25 Unique 4.87, 5.17 A)
&rst
ixpk= 2338, nxpk= 25, iat= 897,1309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 THR HA 85 SER HB- 5.50 (# 2341:25 Unique 3.81, 4.44 A)
&rst
ixpk= 2341, nxpk= 25, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1311,1312,
&end
#
# 86 ILE HN 86 ILE HB 5.50 (# 2343:25 Unique 2.72, 2.87 A)
&rst
ixpk= 2343, nxpk= 25, iat=1318,1322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 ILE MG2 86 ILE HG1+ 4.50 (# 2344:25 Unique 2.42, 3.57 A)
&rst
ixpk= 2344, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1324,1325,1326,
igr2=1328,1329,
&end
#
# 54 LEU MDY 90 ARG HB+ 5.50 (# 2350:25 Unique 4.02, 7.28 A)
&rst
ixpk= 2350, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 856, 857, 858, 860, 861, 862,
igr2=1392,1393,
&end
#
# 54 LEU MDY 90 ARG HB- 5.50 (# 2351:25 Unique 4.02, 7.28 A)
&rst
ixpk= 2351, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 856, 857, 858, 860, 861, 862,
igr2=1392,1393,
&end
#
# 76 LEU HN 72 VAL HA 5.50 (# 2356:25 Unique 3.62, 3.75 A)
&rst
ixpk= 2356, nxpk= 25, iat=1178,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2357 76 LEU HA 5.50 (# 2357:25 Single Ambig)
&rst
ixpk= 2357, nxpk= 25, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1251,1252,1197,
&end
#
# 86 ILE MD1 22 PHE HD 5.50 (# 15:26 Unique 2.52, 4.93 A)
&rst
ixpk= 15, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1331,1332,1333,
igr2= 335, 343,
&end
#
# 24 TYR HN 82 TYR HD 4.50 (# 24:26 Unique 3.03, 4.17 A)
&rst
ixpk= 24, nxpk= 26, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1264,1273,
&end
#
# 81 ASN HN 82 TYR HD 5.50 (# 25:26 Unique 4.02, 5.42 A)
&rst
ixpk= 25, nxpk= 26, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1264,1273,
&end
#
# 22 PHE HE 22 PHE HD 3.50 (# 26:26 Unique 2.47, 3.72 A)
&rst
ixpk= 26, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 337, 341,
igr2= 335, 343,
&end
#
# 24 TYR HD 82 TYR HD 5.50 (# 27:26 Unique 2.46, 5.18 A)
&rst
ixpk= 27, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 366, 375,
igr2=1264,1273,
&end
#
# 82 TYR HE 82 TYR HD 2.50 (# 28:26 Unique 2.44, 3.72 A)
&rst
ixpk= 28, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1266,1271,
igr2=1264,1273,
&end
#
# 76 LEU HN 75 TYR HD 5.50 (# 29:26 Unique 3.19, 4.59 A)
&rst
ixpk= 29, nxpk= 26, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1165,1174,
&end
#
# 75 TYR HN 75 TYR HD 5.50 (# 30:26 Unique 4.32, 4.69 A)
&rst
ixpk= 30, nxpk= 26, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1165,1174,
&end
#
# 81 ASN HD2+ 75 TYR HD 5.50 (# 31:26 Unique 2.97, 4.10 A)
&rst
ixpk= 31, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1251,1252,
igr2=1165,1174,
&end
#
# 66 THR HN 65 TYR HD 5.50 (# 32:26 Unique 3.91, 5.09 A)
&rst
ixpk= 32, nxpk= 26, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1014,1023,
&end
#
# 71 GLU HN 65 TYR HD 5.50 (# 33:26 Unique 3.32, 5.76 A)
&rst
ixpk= 33, nxpk= 26, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1014,1023,
&end
#
# 0 AMB 26-2:34 65 TYR HD 5.50 (# 34:26 Single Ambig)
&rst
ixpk= 34, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1107, 961,
igr2=1014,1023,
&end
#
# 64 ARG HN 65 TYR HD 5.50 (# 35:26 Unique 2.48, 4.71 A)
&rst
ixpk= 35, nxpk= 26, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1014,1023,
&end
#
# 65 TYR HN 65 TYR HD 4.50 (# 36:26 Unique 2.77, 3.93 A)
&rst
ixpk= 36, nxpk= 26, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1014,1023,
&end
#
# 70 LYS HN 65 TYR HD 5.50 (# 37:26 Unique 4.54, 6.56 A)
&rst
ixpk= 37, nxpk= 26, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1014,1023,
&end
#
# 12 TYR HN 12 TYR HD 4.50 (# 38:26 Unique 2.10, 3.78 A)
&rst
ixpk= 38, nxpk= 26, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 180, 189,
&end
#
# 82 TYR HD 24 TYR HD 5.50 (# 43:26 Unique 2.46, 5.18 A)
&rst
ixpk= 43, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1264,1273,
igr2= 366, 375,
&end
#
# 13 ALA HN 12 TYR HD 5.50 (# 44:26 Unique 2.70, 4.12 A)
&rst
ixpk= 44, nxpk= 26, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 180, 189,
&end
#
# 62 ASN HD2+ 65 TYR HD 7.00 (# 45:26 Unique 2.77, 5.28 A)
&rst
ixpk= 45, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 970, 971,
igr2=1014,1023,
&end
#
# 0 AMB 26-2:48 75 TYR HD 2.50 (# 48:26 Single Ambig)
&rst
ixpk= 48, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=1167,1172,1251,1252,
igr2=1165,1174,
&end
#
# 65 TYR HE 65 TYR HD 2.50 (# 49:26 Unique 2.47, 3.73 A)
&rst
ixpk= 49, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1016,1021,
igr2=1014,1023,
&end
#
# 65 TYR HA 65 TYR HD 4.50 (# 50:26 Unique 2.45, 3.57 A)
&rst
ixpk= 50, nxpk= 26, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1014,1023,
&end
#
# 81 ASN HA 82 TYR HD 7.00 (# 53:26 Unique 5.58, 6.77 A)
&rst
ixpk= 53, nxpk= 26, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1264,1273,
&end
#
# 82 TYR HA 82 TYR HD 5.50 (# 55:26 Unique 2.00, 3.35 A)
&rst
ixpk= 55, nxpk= 26, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1264,1273,
&end
#
# 0 AMB 26-2:56 82 TYR HD 5.50 (# 56:26 Single Ambig)
&rst
ixpk= 56, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 351, 352,1199,1200,
igr2=1264,1273,
&end
#
# 0 AMB 26-2:57 12 TYR HD 4.50 (# 57:26 Single Ambig)
&rst
ixpk= 57, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 174, 195,
igr2= 180, 189,
&end
#
# 70 LYS HA 65 TYR HD 5.50 (# 59:26 Unique 3.61, 6.40 A)
&rst
ixpk= 59, nxpk= 26, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1014,1023,
&end
#
# 71 GLU HA 65 TYR HD 4.50 (# 60:26 Unique 2.10, 4.04 A)
&rst
ixpk= 60, nxpk= 26, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1014,1023,
&end
#
# 0 AMB 26-2:61 65 TYR HD 5.50 (# 61:26 Single Ambig)
&rst
ixpk= 61, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1065,1066, 984,
igr2=1014,1023,
&end
#
# 75 TYR HA 75 TYR HD 4.50 (# 62:26 Unique 2.40, 3.48 A)
&rst
ixpk= 62, nxpk= 26, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1165,1174,
&end
#
# 76 LEU HA 75 TYR HD 5.50 (# 63:26 Unique 3.30, 5.14 A)
&rst
ixpk= 63, nxpk= 26, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1165,1174,
&end
#
# 0 AMB 26-2:64 24 TYR HD 2.50 (# 64:26 Single Ambig)
&rst
ixpk= 64, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 368, 373,1266,1271,
igr2= 366, 375,
&end
#
# 24 TYR HA 24 TYR HD 4.50 (# 65:26 Unique 2.49, 3.53 A)
&rst
ixpk= 65, nxpk= 26, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 366, 375,
&end
#
# 0 AMB 26-2:66 24 TYR HD 5.50 (# 66:26 Single Ambig)
&rst
ixpk= 66, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1228, 331, 332,
igr2= 366, 375,
&end
#
# 25 PRO HA 24 TYR HD 5.50 (# 67:26 Unique 2.57, 4.45 A)
&rst
ixpk= 67, nxpk= 26, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 366, 375,
&end
#
# 24 TYR QB 24 TYR HD 4.50 (# 68:26 Unique 2.30, 3.08 A)
&rst
ixpk= 68, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 362, 363,
igr2= 366, 375,
&end
#
# 76 LEU HB+ 24 TYR HD 5.50 (# 69:26 Unique 4.46, 6.19 A)
&rst
ixpk= 69, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1182,1183,
igr2= 366, 375,
&end
#
# 0 AMB 26-2:70 24 TYR HD 5.50 (# 70:26 Single Ambig)
&rst
ixpk= 70, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 386, 387, 383, 384,
igr2= 366, 375,
&end
#
# 0 AMB 26-2:71 82 TYR HD 5.50 (# 71:26 Single Ambig)
&rst
ixpk= 71, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1278,1279, 360,
igr2=1264,1273,
&end
#
# 79 PRO HA 82 TYR HD 4.50 (# 72:26 Unique 2.15, 3.41 A)
&rst
ixpk= 72, nxpk= 26, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1264,1273,
&end
#
# 22 PHE HB+ 22 PHE HD 5.50 (# 73:26 Unique 2.28, 3.08 A)
&rst
ixpk= 73, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 331, 332,
igr2= 335, 343,
&end
#
# 69 GLY HA- 65 TYR HD 5.50 (# 74:26 Unique 3.86, 5.49 A)
&rst
ixpk= 74, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1065,1066,
igr2=1014,1023,
&end
#
# 82 TYR HB- 82 TYR HD 3.50 (# 76:26 Unique 2.36, 3.11 A)
&rst
ixpk= 76, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1260,1261,
igr2=1264,1273,
&end
#
# 22 PHE HB- 22 PHE HD 5.50 (# 77:26 Unique 2.28, 3.08 A)
&rst
ixpk= 77, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 331, 332,
igr2= 335, 343,
&end
#
# 12 TYR HB- 12 TYR HD 4.50 (# 78:26 Unique 2.32, 3.09 A)
&rst
ixpk= 78, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 176, 177,
igr2= 180, 189,
&end
#
# 12 TYR HB+ 12 TYR HD 3.50 (# 79:26 Unique 2.32, 3.09 A)
&rst
ixpk= 79, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 176, 177,
igr2= 180, 189,
&end
#
# 0 AMB 26-2:80 65 TYR HD 3.50 (# 80:26 Single Ambig)
&rst
ixpk= 80, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1010,1011, 992, 993,
igr2=1014,1023,
&end
#
# 65 TYR HB+ 65 TYR HD 3.50 (# 81:26 Unique 2.34, 3.09 A)
&rst
ixpk= 81, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1010,1011,
igr2=1014,1023,
&end
#
# 75 TYR HB- 75 TYR HD 3.50 (# 82:26 Unique 2.35, 3.08 A)
&rst
ixpk= 82, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1161,1162,
igr2=1165,1174,
&end
#
# 75 TYR HB+ 75 TYR HD 3.50 (# 83:26 Unique 2.35, 3.08 A)
&rst
ixpk= 83, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1161,1162,
igr2=1165,1174,
&end
#
# 71 GLU HG+ 65 TYR HD 5.50 (# 84:26 Unique 2.62, 5.61 A)
&rst
ixpk= 84, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1099,1100,
igr2=1014,1023,
&end
#
# 71 GLU HB+ 65 TYR HD 5.50 (# 85:26 Unique 2.74, 5.78 A)
&rst
ixpk= 85, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1096,1097,
igr2=1014,1023,
&end
#
# 0 AMB 26-2:86 75 TYR HD 5.50 (# 86:26 Single Ambig)
&rst
ixpk= 86, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1146,1147,1149,1150,
igr2=1165,1174,
&end
#
# 81 ASN HB+ 75 TYR HD 5.50 (# 87:26 Unique 3.54, 5.75 A)
&rst
ixpk= 87, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1246,1247,
igr2=1165,1174,
&end
#
# 81 ASN HB+ 82 TYR HD 5.50 (# 88:26 Unique 4.61, 7.31 A)
&rst
ixpk= 88, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1246,1247,
igr2=1264,1273,
&end
#
# 81 ASN HB- 82 TYR HD 7.00 (# 89:26 Unique 4.61, 7.31 A)
&rst
ixpk= 89, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1246,1247,
igr2=1264,1273,
&end
#
# 0 AMB 26-2:90 82 TYR HD 5.50 (# 90:26 Single Ambig)
&rst
ixpk= 90, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1182,1183,1284,1285,1281,1282,
igr2=1264,1273,
&end
#
# 0 AMB 26-2:91 65 TYR HD 4.50 (# 91:26 Single Ambig)
&rst
ixpk= 91, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1099,1100,1096,1097,
igr2=1014,1023,
&end
#
# 76 LEU HG 75 TYR HD 4.50 (# 92:26 Unique 2.50, 4.76 A)
&rst
ixpk= 92, nxpk= 26, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1165,1174,
&end
#
# 70 LYS QD 75 TYR HD 4.50 (# 93:26 Unique 3.06, 6.16 A)
&rst
ixpk= 93, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1080,1081,
igr2=1165,1174,
&end
#
# 13 ALA MB 12 TYR HD 5.50 (# 96:26 Unique 2.78, 6.37 A)
&rst
ixpk= 96, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 197, 198, 199,
igr2= 180, 189,
&end
#
# 0 AMB 26-2:97 65 TYR HD 5.50 (# 97:26 Single Ambig)
&rst
ixpk= 97, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 986, 987, 989, 990,
igr2=1014,1023,
&end
#
# 70 LYS QG 75 TYR HD 5.50 (# 98:26 Unique 2.17, 4.91 A)
&rst
ixpk= 98, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1077,1078,
igr2=1165,1174,
&end
#
# 0 AMB 26-2:99 82 TYR HD 7.00 (# 99:26 Single Ambig)
&rst
ixpk= 99, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1182,1183,1222,1223,
igr2=1264,1273,
&end
#
# 79 PRO HB+ 82 TYR HD 5.50 (# 100:26 Unique 3.41, 4.49 A)
&rst
ixpk= 100, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1225,1226,
igr2=1264,1273,
&end
#
# 0 AMB 26-2:103 75 TYR HD 3.50 (# 103:26 Single Ambig)
&rst
ixpk= 103, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 882, 883, 884,1187,1188,1189,1191,1192,1193,
igr2=1165,1174,
&end
#
# 0 AMB 26-2:104 65 TYR HD 4.50 (# 104:26 Single Ambig)
&rst
ixpk= 104, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
1118,1119,
igr2=1014,1023,
&end
#
# 0 AMB 26-2:105 24 TYR HD 5.50 (# 105:26 Single Ambig)
&rst
ixpk= 105, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1187,1188,1189,1191,1192,1193,1225,1226,
igr2= 366, 375,
&end
#
# 84 VAL MGX 82 TYR HD 5.50 (# 106:26 Unique 5.09, 7.99 A)
&rst
ixpk= 106, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1297,1298,1299,1301,1302,1303,
igr2=1264,1273,
&end
#
# 84 VAL MGY 82 TYR HD 7.00 (# 107:26 Unique 5.09, 7.99 A)
&rst
ixpk= 107, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1297,1298,1299,1301,1302,1303,
igr2=1264,1273,
&end
#
# 24 TYR HN 24 TYR HD 5.50 (# 108:26 Unique 2.66, 4.11 A)
&rst
ixpk= 108, nxpk= 26, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 366, 375,
&end
#
# 86 ILE HN 22 PHE HE 5.50 (# 109:26 Unique 2.90, 5.46 A)
&rst
ixpk= 109, nxpk= 26, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 337, 341,
&end
#
# 42 GLY HN 41 PHE HD 5.50 (# 110:26 Unique 2.21, 3.82 A)
&rst
ixpk= 110, nxpk= 26, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 659, 667,
&end
#
# 22 PHE HZ 22 PHE HE 4.50 (# 111:26 Unique 2.48, 2.49 A)
&rst
ixpk= 111, nxpk= 26, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 337, 341,
&end
#
# 41 PHE HB+ 41 PHE HD 5.50 (# 114:26 Unique 2.35, 3.09 A)
&rst
ixpk= 114, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 655, 656,
igr2= 659, 667,
&end
#
# 41 PHE HB- 41 PHE HD 5.50 (# 115:26 Unique 2.35, 3.09 A)
&rst
ixpk= 115, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 655, 656,
igr2= 659, 667,
&end
#
# 88 PHE HB- 88 PHE HD 5.50 (# 116:26 Unique 2.29, 3.08 A)
&rst
ixpk= 116, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1365,1366,
igr2=1369,1377,
&end
#
# 0 AMB 26-2:117 88 PHE HD 5.50 (# 117:26 Single Ambig)
&rst
ixpk= 117, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1365,1366, 808, 809,
igr2=1369,1377,
&end
#
# 22 PHE HB- 22 PHE HE 5.50 (# 118:26 Unique 4.61, 5.09 A)
&rst
ixpk= 118, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 331, 332,
igr2= 337, 341,
&end
#
# 22 PHE HB+ 22 PHE HE 5.50 (# 119:26 Unique 4.61, 5.09 A)
&rst
ixpk= 119, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 331, 332,
igr2= 337, 341,
&end
#
# 0 AMB 26-2:120 22 PHE HE 5.50 (# 120:26 Single Ambig)
&rst
ixpk= 120, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 295, 296,1322,
igr2= 337, 341,
&end
#
# 29 LEU HB- 41 PHE HD 5.50 (# 123:26 Unique 2.34, 5.23 A)
&rst
ixpk= 123, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 447, 448,
igr2= 659, 667,
&end
#
# 29 LEU HB+ 41 PHE HD 5.50 (# 124:26 Unique 2.34, 5.23 A)
&rst
ixpk= 124, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 447, 448,
igr2= 659, 667,
&end
#
# 0 AMB 26-2:126 41 PHE HD 5.50 (# 126:26 Single Ambig)
&rst
ixpk= 126, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
792, 793,
igr2= 659, 667,
&end
#
# 0 AMB 26-2:128 88 PHE HD 3.50 (# 128:26 Single Ambig)
&rst
ixpk= 128, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 631, 632, 633, 635, 636, 637, 837, 838, 839, 841,
842, 843,
igr2=1369,1377,
&end
#
# 86 ILE MG2 22 PHE HE 5.50 (# 130:26 Unique 4.04, 6.39 A)
&rst
ixpk= 130, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1324,1325,1326,
igr2= 337, 341,
&end
#
# 41 PHE HA 41 PHE HD 5.50 (# 133:26 Unique 2.42, 3.45 A)
&rst
ixpk= 133, nxpk= 26, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 659, 667,
&end
#
# 24 TYR HN 82 TYR HE 4.50 (# 148:26 Unique 2.77, 5.25 A)
&rst
ixpk= 148, nxpk= 26, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1266,1271,
&end
#
# 57 ASN HD2- 75 TYR HE 5.50 (# 150:26 Unique 2.46, 4.18 A)
&rst
ixpk= 150, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 904, 905,
igr2=1167,1172,
&end
#
# 82 TYR HD 82 TYR HE 2.50 (# 151:26 Unique 2.44, 3.72 A)
&rst
ixpk= 151, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1264,1273,
igr2=1266,1271,
&end
#
# 24 TYR HD 0 AMB 26-1:152 2.50 (# 152:26 Single Ambig)
&rst
ixpk= 152, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 366, 375,
igr2= 368, 373,1266,1271,
&end
#
# 64 ARG HE 65 TYR HE 5.50 (# 153:26 Unique 2.45, 3.87 A)
&rst
ixpk= 153, nxpk= 26, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1016,1021,
&end
#
# 75 TYR HD 75 TYR HE 2.50 (# 154:26 Unique 2.46, 3.72 A)
&rst
ixpk= 154, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1165,1174,
igr2=1167,1172,
&end
#
# 12 TYR HD 12 TYR HE 2.50 (# 155:26 Unique 2.42, 3.72 A)
&rst
ixpk= 155, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 180, 189,
igr2= 182, 187,
&end
#
# 0 AMB 26-2:156 12 TYR HE 5.50 (# 156:26 Single Ambig)
&rst
ixpk= 156, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 172, 161,
igr2= 182, 187,
&end
#
# 64 ARG HN 65 TYR HE 5.50 (# 158:26 Unique 3.67, 5.64 A)
&rst
ixpk= 158, nxpk= 26, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1016,1021,
&end
#
# 72 VAL HN 65 TYR HE 7.00 (# 159:26 Unique 5.18, 6.50 A)
&rst
ixpk= 159, nxpk= 26, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1016,1021,
&end
#
# 71 GLU HN 65 TYR HE 5.50 (# 160:26 Unique 3.74, 6.63 A)
&rst
ixpk= 160, nxpk= 26, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1016,1021,
&end
#
# 65 TYR HA 65 TYR HE 5.50 (# 161:26 Unique 4.75, 5.41 A)
&rst
ixpk= 161, nxpk= 26, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1016,1021,
&end
#
# 76 LEU HA 0 AMB 26-1:169 4.50 (# 169:26 Single Ambig)
&rst
ixpk= 169, nxpk= 26, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 368, 373,1167,1172,
&end
#
# 77 GLY HA- 0 AMB 26-1:170 5.50 (# 170:26 Single Ambig)
&rst
ixpk= 170, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1199,1200,
igr2= 368, 373,1266,1271,
&end
#
# 24 TYR HA 0 AMB 26-1:171 5.50 (# 171:26 Single Ambig)
&rst
ixpk= 171, nxpk= 26, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 368, 373,1266,1271,
&end
#
# 0 AMB 26-2:174 82 TYR HE 4.50 (# 174:26 Single Ambig)
&rst
ixpk= 174, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 380, 381, 389,
igr2=1266,1271,
&end
#
# 0 AMB 26-2:175 0 AMB 26-1:175 3.50 (# 175:26 Double Ambig)
&rst
ixpk= 175, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 331, 332,1083,1084,1260,1261,1161,1162,
igr2= 368, 373,1167,1172,
&end
#
# 81 ASN HB+ 75 TYR HE 4.50 (# 176:26 Unique 2.77, 5.48 A)
&rst
ixpk= 176, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1246,1247,
igr2=1167,1172,
&end
#
# 81 ASN HB- 75 TYR HE 5.50 (# 177:26 Unique 2.77, 5.48 A)
&rst
ixpk= 177, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1246,1247,
igr2=1167,1172,
&end
#
# 76 LEU HB+ 24 TYR HE 3.50 (# 178:26 Unique 2.37, 4.77 A)
&rst
ixpk= 178, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1182,1183,
igr2= 368, 373,
&end
#
# 76 LEU HB- 24 TYR HE 3.50 (# 179:26 Unique 2.37, 4.77 A)
&rst
ixpk= 179, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1182,1183,
igr2= 368, 373,
&end
#
# 0 AMB 26-2:181 0 AMB 26-1:181 4.50 (# 181:26 Double Ambig)
&rst
ixpk= 181, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 886, 887,1222,1223,
igr2=1167,1172,1266,1271,
&end
#
# 0 AMB 26-2:182 65 TYR HE 4.50 (# 182:26 Single Ambig)
&rst
ixpk= 182, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 986, 987, 989, 990,
igr2=1016,1021,
&end
#
# 0 AMB 26-2:184 65 TYR HE 3.50 (# 184:26 Single Ambig)
&rst
ixpk= 184, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1096,1097,1099,1100,
igr2=1016,1021,
&end
#
# 71 GLU HB+ 65 TYR HE 5.50 (# 185:26 Unique 2.44, 5.79 A)
&rst
ixpk= 185, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1096,1097,
igr2=1016,1021,
&end
#
# 71 GLU HG+ 65 TYR HE 4.50 (# 186:26 Unique 2.54, 5.47 A)
&rst
ixpk= 186, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1099,1100,
igr2=1016,1021,
&end
#
# 11 SER QB 12 TYR HE 5.50 (# 189:26 Unique 3.54, 6.49 A)
&rst
ixpk= 189, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 165, 166,
igr2= 182, 187,
&end
#
# 64 ARG QD 65 TYR HE 4.50 (# 190:26 Unique 2.57, 4.68 A)
&rst
ixpk= 190, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 992, 993,
igr2=1016,1021,
&end
#
# 0 AMB 26-2:192 65 TYR HE 5.50 (# 192:26 Single Ambig)
&rst
ixpk= 192, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
517, 518,
igr2=1016,1021,
&end
#
# 64 ARG HG- 65 TYR HE 5.50 (# 193:26 Unique 2.71, 4.34 A)
&rst
ixpk= 193, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 989, 990,
igr2=1016,1021,
&end
#
# 0 AMB 26-2:195 0 AMB 26-1:195 2.50 (# 195:26 Double Ambig)
&rst
ixpk= 195, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1297,1298,1299,1301,1302,1303,1033,1034,1035,
igr2=1167,1172, 368, 373,
&end
#
# 52 ALA HN 51 HIS HD2 5.50 (# 196:26 Unique 3.54, 3.92 A)
&rst
ixpk= 196, nxpk= 26, iat= 821, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 26-2:197 51 HIS HD2 5.50 (# 197:26 Single Ambig)
&rst
ixpk= 197, nxpk= 26, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1388,1381,
&end
#
# 51 HIS HN 51 HIS HD2 5.50 (# 198:26 Unique 4.30, 5.01 A)
&rst
ixpk= 198, nxpk= 26, iat= 804, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 PHE HD 51 HIS HD2 5.50 (# 199:26 Unique 3.02, 6.24 A)
&rst
ixpk= 199, nxpk= 26, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1369,1377,
&end
#
# 0 AMB 26-2:201 51 HIS HD2 5.50 (# 201:26 Single Ambig)
&rst
ixpk= 201, nxpk= 26, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 806,1390,
&end
#
# 51 HIS HB+ 51 HIS HD2 5.50 (# 204:26 Unique 2.52, 3.24 A)
&rst
ixpk= 204, nxpk= 26, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 808, 809,
&end
#
# 0 AMB 26-2:205 51 HIS HD2 5.50 (# 205:26 Single Ambig)
&rst
ixpk= 205, nxpk= 26, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 808, 809,1365,1366,
&end
#
# 52 ALA MB 51 HIS HD2 5.50 (# 209:26 Unique 5.53, 6.71 A)
&rst
ixpk= 209, nxpk= 26, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 825, 826, 827,
&end
#
# 0 AMB 26-2:210 51 HIS HD2 5.50 (# 210:26 Single Ambig)
&rst
ixpk= 210, nxpk= 26, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 856, 857, 858, 860, 861, 862, 631, 632, 633, 635,
636, 637,
&end
#
# 91 PRO QG 51 HIS HD2 7.00 (# 214:26 Unique 5.70, 7.32 A)
&rst
ixpk= 214, nxpk= 26, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1416,1417,
&end
#
# 76 LEU HG 0 AMB 26-1:217 4.50 (# 217:26 Single Ambig)
&rst
ixpk= 217, nxpk= 26, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1167,1172, 368, 373,
&end
#
# 0 AMB 26-2:219 75 TYR HD 5.50 (# 219:26 Single Ambig)
&rst
ixpk= 219, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1072,1244,
igr2=1165,1174,
&end
#
# 34 ASP HB- 34 ASP HN 4.50 (# 0:15 Unique 2.85, 3.21 A)
&rst
ixpk= 0, nxpk= 15, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 543, 544,
&end
#
# 35 GLU HN 34 ASP HN 4.50 (# 1:15 Unique 2.76, 2.90 A)
&rst
ixpk= 1, nxpk= 15, iat= 551, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 HIS HA 34 ASP HN 2.50 (# 3:15 Unique 2.19, 2.27 A)
&rst
ixpk= 3, nxpk= 15, iat= 524, 539, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 34 ASP HA 34 ASP HN 2.50 (# 4:15 Unique 2.24, 2.26 A)
&rst
ixpk= 4, nxpk= 15, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 15-2:5 34 ASP HN 3.50 (# 5:15 Single Ambig)
&rst
ixpk= 5, nxpk= 15, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 543, 544, 526, 527,
&end
#
# 58 GLY HN 57 ASN HN 3.50 (# 6:15 Unique 2.86, 2.95 A)
&rst
ixpk= 6, nxpk= 15, iat= 909, 895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 ILE HA 57 ASN HN 4.50 (# 7:15 Unique 3.38, 3.52 A)
&rst
ixpk= 7, nxpk= 15, iat=1320, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 ILE HA 57 ASN HN 2.50 (# 8:15 Unique 2.15, 2.20 A)
&rst
ixpk= 8, nxpk= 15, iat= 878, 895, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 57 ASN HA 57 ASN HN 2.50 (# 9:15 Unique 2.23, 2.25 A)
&rst
ixpk= 9, nxpk= 15, iat= 897, 895, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 15-2:10 57 ASN HN 3.50 (# 10:15 Single Ambig)
&rst
ixpk= 10, nxpk= 15, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1311,1312,1311,1312,
&end
#
# 56 ILE MG2 57 ASN HN 2.50 (# 11:15 Unique 2.63, 3.31 A)
&rst
ixpk= 11, nxpk= 15, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 882, 883, 884,
&end
#
# 65 TYR HA 72 VAL HN 3.50 (# 13:15 Unique 2.56, 2.72 A)
&rst
ixpk= 13, nxpk= 15, iat=1008,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 GLU HA 72 VAL HN 2.50 (# 14:15 Unique 2.14, 2.18 A)
&rst
ixpk= 14, nxpk= 15, iat=1094,1107, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 72 VAL HA 72 VAL HN 3.50 (# 15:15 Unique 2.77, 2.79 A)
&rst
ixpk= 15, nxpk= 15, iat=1109,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 GLU HB+ 72 VAL HN 5.50 (# 16:15 Unique 3.35, 4.22 A)
&rst
ixpk= 16, nxpk= 15, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1096,1097,
&end
#
# 0 AMB 15-2:17 72 VAL HN 4.50 (# 17:15 Single Ambig)
&rst
ixpk= 17, nxpk= 15, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1099,1100,1096,1097,
&end
#
# 72 VAL HB 72 VAL HN 3.50 (# 18:15 Unique 2.20, 2.42 A)
&rst
ixpk= 18, nxpk= 15, iat=1111,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:19 72 VAL HN 2.50 (# 19:15 Single Ambig)
&rst
ixpk= 19, nxpk= 15, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
1118,1119,
&end
#
# 73 LEU HN 72 VAL HN 4.50 (# 20:15 Unique 2.83, 2.93 A)
&rst
ixpk= 20, nxpk= 15, iat=1123,1107, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 MET HA 60 ASP HN 2.50 (# 21:15 Unique 2.09, 2.16 A)
&rst
ixpk= 21, nxpk= 15, iat= 918, 933, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 60 ASP HB+ 60 ASP HN 3.50 (# 22:15 Unique 2.27, 2.47 A)
&rst
ixpk= 22, nxpk= 15, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 937, 938,
&end
#
# 60 ASP HB- 60 ASP HN 2.50 (# 23:15 Unique 2.27, 2.47 A)
&rst
ixpk= 23, nxpk= 15, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 937, 938,
&end
#
# 59 MET HB- 60 ASP HN 4.50 (# 24:15 Unique 3.28, 4.02 A)
&rst
ixpk= 24, nxpk= 15, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 920, 921,
&end
#
# 55 ALA MB 60 ASP HN 4.50 (# 25:15 Unique 3.78, 4.51 A)
&rst
ixpk= 25, nxpk= 15, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 870, 871, 872,
&end
#
# 0 AMB 15-2:32 13 ALA HN 3.50 (# 32:15 Single Ambig)
&rst
ixpk= 32, nxpk= 15, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 174, 195,
&end
#
# 0 AMB 15-2:33 13 ALA HN 4.50 (# 33:15 Single Ambig)
&rst
ixpk= 33, nxpk= 15, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 204, 205, 204, 205,
&end
#
# 13 ALA MB 13 ALA HN 3.50 (# 34:15 Unique 2.44, 3.22 A)
&rst
ixpk= 34, nxpk= 15, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 197, 198, 199,
&end
#
# 85 SER HN 86 ILE HN 4.50 (# 35:15 Unique 4.31, 4.48 A)
&rst
ixpk= 35, nxpk= 15, iat=1307,1318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 PHE HE 86 ILE HN 4.50 (# 36:15 Unique 2.90, 5.46 A)
&rst
ixpk= 36, nxpk= 15, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 337, 341,
&end
#
# 85 SER HA 86 ILE HN 2.50 (# 37:15 Unique 2.22, 2.29 A)
&rst
ixpk= 37, nxpk= 15, iat=1309,1318, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 21 THR HA 86 ILE HN 4.50 (# 38:15 Unique 3.14, 3.45 A)
&rst
ixpk= 38, nxpk= 15, iat= 315,1318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 ILE HA 86 ILE HN 3.50 (# 39:15 Unique 2.95, 2.97 A)
&rst
ixpk= 39, nxpk= 15, iat=1320,1318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:40 86 ILE HN 4.50 (# 40:15 Single Ambig)
&rst
ixpk= 40, nxpk= 15, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1311,1312,1311,1312,
&end
#
# 0 AMB 15-2:41 86 ILE HN 3.50 (# 41:15 Single Ambig)
&rst
ixpk= 41, nxpk= 15, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1328,1329,1322,
&end
#
# 86 ILE HG1- 86 ILE HN 3.50 (# 42:15 Unique 2.67, 3.49 A)
&rst
ixpk= 42, nxpk= 15, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1328,1329,
&end
#
# 0 AMB 15-2:43 86 ILE HN 4.50 (# 43:15 Single Ambig)
&rst
ixpk= 43, nxpk= 15, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1331,1332,1333, 882, 883, 884,
&end
#
# 12 TYR HD 13 ALA HN 4.50 (# 44:15 Unique 2.70, 4.12 A)
&rst
ixpk= 44, nxpk= 15, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 180, 189,
&end
#
# 12 TYR HB+ 13 ALA HN 4.50 (# 46:15 Unique 2.22, 3.49 A)
&rst
ixpk= 46, nxpk= 15, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 176, 177,
&end
#
# 0 AMB 15-2:47 54 LEU HN 3.50 (# 47:15 Single Ambig)
&rst
ixpk= 47, nxpk= 15, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 837, 838, 839, 841, 842, 843, 856, 857, 858, 860,
861, 862, 951, 952, 953, 955, 956, 957,
&end
#
# 30 LEU HA 30 LEU HN 4.50 (# 48:15 Unique 2.92, 2.96 A)
&rst
ixpk= 48, nxpk= 15, iat= 464, 462, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 LEU HA 30 LEU HN 2.50 (# 49:15 Unique 2.23, 2.35 A)
&rst
ixpk= 49, nxpk= 15, iat= 445, 462, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 15-2:50 30 LEU HN 3.50 (# 50:15 Single Ambig)
&rst
ixpk= 50, nxpk= 15, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 447, 448, 466, 467,
&end
#
# 30 LEU HB- 30 LEU HN 4.50 (# 51:15 Unique 2.55, 3.20 A)
&rst
ixpk= 51, nxpk= 15, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 466, 467,
&end
#
# 0 AMB 15-2:53 30 LEU HN 3.50 (# 53:15 Single Ambig)
&rst
ixpk= 53, nxpk= 15, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 471, 472, 473, 475, 476, 477, 469,
&end
#
# 55 ALA HN 54 LEU HN 3.50 (# 54:15 Unique 1.83, 1.98 A)
&rst
ixpk= 54, nxpk= 15, iat= 866, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 VAL HA 54 LEU HN 2.50 (# 55:15 Unique 2.18, 2.23 A)
&rst
ixpk= 55, nxpk= 15, iat= 833, 847, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 54 LEU HB- 54 LEU HN 3.50 (# 56:15 Unique 2.39, 3.06 A)
&rst
ixpk= 56, nxpk= 15, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 851, 852,
&end
#
# 54 LEU HB+ 54 LEU HN 4.50 (# 58:15 Unique 2.39, 3.06 A)
&rst
ixpk= 58, nxpk= 15, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 851, 852,
&end
#
# 21 THR HA 22 PHE HN 3.50 (# 60:15 Unique 2.17, 2.26 A)
&rst
ixpk= 60, nxpk= 15, iat= 315, 327, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 THR MG2 22 PHE HN 4.50 (# 61:15 Unique 2.43, 4.33 A)
&rst
ixpk= 61, nxpk= 15, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 319, 320, 321,
&end
#
# 31 LYS HN 38 LEU HN 3.50 (# 62:15 Unique 2.55, 2.71 A)
&rst
ixpk= 62, nxpk= 15, iat= 481, 606, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:63 38 LEU HN 3.50 (# 63:15 Single Ambig)
&rst
ixpk= 63, nxpk= 15, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 613, 491, 492, 466, 467,
&end
#
# 38 LEU HB- 38 LEU HN 3.50 (# 64:15 Unique 2.36, 3.13 A)
&rst
ixpk= 64, nxpk= 15, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 610, 611,
&end
#
# 0 AMB 15-2:66 96 ASN HN 3.50 (# 66:15 Single Ambig)
&rst
ixpk= 66, nxpk= 15, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1485,1496,
&end
#
# 95 SER QB 96 ASN HN 4.50 (# 68:15 Unique 2.20, 3.69 A)
&rst
ixpk= 68, nxpk= 15, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1487,1488,
&end
#
# 96 ASN QB 96 ASN HN 4.50 (# 69:15 Unique 2.36, 2.88 A)
&rst
ixpk= 69, nxpk= 15, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1498,1499,
&end
#
# 36 ARG HN 33 HIS HN 3.50 (# 70:15 Unique 2.83, 2.92 A)
&rst
ixpk= 70, nxpk= 15, iat= 566, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 LEU HA 33 HIS HN 2.50 (# 71:15 Unique 2.19, 2.22 A)
&rst
ixpk= 71, nxpk= 15, iat= 505, 522, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 33 HIS HA 33 HIS HN 3.50 (# 72:15 Unique 2.88, 2.92 A)
&rst
ixpk= 72, nxpk= 15, iat= 524, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 VAL HA 33 HIS HN 3.50 (# 73:15 Unique 2.97, 3.35 A)
&rst
ixpk= 73, nxpk= 15, iat= 592, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 HIS HB+ 33 HIS HN 3.50 (# 74:15 Unique 2.74, 3.18 A)
&rst
ixpk= 74, nxpk= 15, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 526, 527,
&end
#
# 33 HIS HB- 33 HIS HN 3.50 (# 75:15 Unique 2.74, 3.18 A)
&rst
ixpk= 75, nxpk= 15, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 526, 527,
&end
#
# 0 AMB 15-2:76 33 HIS HN 3.50 (# 76:15 Single Ambig)
&rst
ixpk= 76, nxpk= 15, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 613, 491, 492, 570, 571, 507, 508,
&end
#
# 32 LEU HB- 33 HIS HN 4.50 (# 77:15 Unique 4.03, 4.35 A)
&rst
ixpk= 77, nxpk= 15, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 507, 508,
&end
#
# 0 AMB 15-2:78 33 HIS HN 2.50 (# 78:15 Single Ambig)
&rst
ixpk= 78, nxpk= 15, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
517, 518,
&end
#
# 38 LEU HA 38 LEU HN 4.50 (# 79:15 Unique 2.96, 2.98 A)
&rst
ixpk= 79, nxpk= 15, iat= 608, 606, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 VAL HA 38 LEU HN 2.50 (# 80:15 Unique 2.07, 2.15 A)
&rst
ixpk= 80, nxpk= 15, iat= 592, 606, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 15-2:81 38 LEU HN 3.50 (# 81:15 Single Ambig)
&rst
ixpk= 81, nxpk= 15, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 615, 616, 617, 619, 620, 621, 596, 597, 598, 600,
601, 602, 596, 597, 598, 600, 601, 602,
&end
#
# 0 AMB 15-2:83 16 ALA HN 3.50 (# 83:15 Single Ambig)
&rst
ixpk= 83, nxpk= 15, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 219, 243,
&end
#
# 0 AMB 15-2:84 16 ALA HN 4.50 (# 84:15 Single Ambig)
&rst
ixpk= 84, nxpk= 15, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 221, 222,1392,1393, 210, 211,
&end
#
# 16 ALA MB 16 ALA HN 3.50 (# 85:15 Unique 2.34, 3.17 A)
&rst
ixpk= 85, nxpk= 15, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 245, 246, 247,
&end
#
# 0 AMB 15-2:88 67 ALA HN 2.50 (# 88:15 Single Ambig)
&rst
ixpk= 88, nxpk= 15, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1031,1029,
&end
#
# 67 ALA HA 67 ALA HN 3.50 (# 89:15 Unique 2.82, 2.84 A)
&rst
ixpk= 89, nxpk= 15, iat=1043,1041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 ALA MB 67 ALA HN 2.50 (# 90:15 Unique 2.39, 2.82 A)
&rst
ixpk= 90, nxpk= 15, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1045,1046,1047,
&end
#
# 0 AMB 15-2:91 67 ALA HN 3.50 (# 91:15 Single Ambig)
&rst
ixpk= 91, nxpk= 15, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1033,1034,1035,1113,1114,1115,1117,1118,1119,1113,
1114,1115,1117,1118,1119,
&end
#
# 65 TYR HN 64 ARG HN 2.50 (# 95:15 Unique 1.79, 2.07 A)
&rst
ixpk= 95, nxpk= 15, iat=1006, 982, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 63 GLY HA- 64 ARG HN 2.50 (# 96:15 Unique 2.20, 2.98 A)
&rst
ixpk= 96, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 977, 978,
&end
#
# 0 AMB 15-2:97 64 ARG HN 4.50 (# 97:15 Single Ambig)
&rst
ixpk= 97, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 596, 597, 598, 600, 601, 602,1113,1114,1115,1117,
1118,1119,1113,1114,1115,1117,1118,1119, 512, 513,
514, 516, 517, 518, 512, 513, 514, 516, 517, 518,
951, 952, 953, 955, 956, 957,
&end
#
# 64 ARG HG- 64 ARG HN 4.50 (# 98:15 Unique 2.02, 3.14 A)
&rst
ixpk= 98, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 989, 990,
&end
#
# 65 TYR HD 64 ARG HN 5.50 (# 99:15 Unique 2.48, 4.71 A)
&rst
ixpk= 99, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1014,1023,
&end
#
# 64 ARG QD 64 ARG HN 4.50 (# 100:15 Unique 2.23, 4.27 A)
&rst
ixpk= 100, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 992, 993,
&end
#
# 0 AMB 15-2:101 64 ARG HN 3.50 (# 101:15 Single Ambig)
&rst
ixpk= 101, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 989, 990, 986, 987,
&end
#
# 94 THR HN 93 LEU HN 5.50 (# 102:15 Unique 1.97, 3.73 A)
&rst
ixpk= 102, nxpk= 15, iat=1469,1450, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LEU HA 93 LEU HN 3.50 (# 104:15 Unique 2.22, 2.81 A)
&rst
ixpk= 104, nxpk= 15, iat=1452,1450, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 ARG HA 93 LEU HN 3.50 (# 105:15 Unique 2.25, 2.74 A)
&rst
ixpk= 105, nxpk= 15, iat=1428,1450, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 LEU QB 93 LEU HN 3.50 (# 106:15 Unique 2.29, 2.92 A)
&rst
ixpk= 106, nxpk= 15, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1454,1455,
&end
#
# 72 VAL HN 71 GLU HN 4.50 (# 110:15 Unique 4.50, 4.54 A)
&rst
ixpk= 110, nxpk= 15, iat=1107,1092, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 LYS HA 71 GLU HN 2.50 (# 111:15 Unique 2.28, 2.32 A)
&rst
ixpk= 111, nxpk= 15, iat=1072,1092, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 71 GLU HA 71 GLU HN 3.50 (# 112:15 Unique 2.88, 2.91 A)
&rst
ixpk= 112, nxpk= 15, iat=1094,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 GLU HG+ 71 GLU HN 4.50 (# 113:15 Unique 2.87, 4.36 A)
&rst
ixpk= 113, nxpk= 15, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1099,1100,
&end
#
# 71 GLU HB+ 71 GLU HN 2.50 (# 114:15 Unique 2.25, 2.60 A)
&rst
ixpk= 114, nxpk= 15, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1096,1097,
&end
#
# 0 AMB 15-2:115 71 GLU HN 3.50 (# 115:15 Single Ambig)
&rst
ixpk= 115, nxpk= 15, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1096,1097,1099,1100,
&end
#
# 70 LYS QD 71 GLU HN 4.50 (# 116:15 Unique 4.12, 4.73 A)
&rst
ixpk= 116, nxpk= 15, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1080,1081,
&end
#
# 70 LYS QG 71 GLU HN 5.50 (# 117:15 Unique 3.85, 5.31 A)
&rst
ixpk= 117, nxpk= 15, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1077,1078,
&end
#
# 61 VAL HA 62 ASN HN 2.50 (# 118:15 Unique 2.07, 2.18 A)
&rst
ixpk= 118, nxpk= 15, iat= 947, 961, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 62 ASN HB+ 62 ASN HN 3.50 (# 119:15 Unique 2.35, 2.65 A)
&rst
ixpk= 119, nxpk= 15, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 965, 966,
&end
#
# 62 ASN HB- 62 ASN HN 4.50 (# 120:15 Unique 2.35, 2.65 A)
&rst
ixpk= 120, nxpk= 15, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 965, 966,
&end
#
# 61 VAL HB 62 ASN HN 4.50 (# 121:15 Unique 2.30, 2.86 A)
&rst
ixpk= 121, nxpk= 15, iat= 949, 961, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 ASN HA 62 ASN HN 4.50 (# 122:15 Unique 2.92, 2.95 A)
&rst
ixpk= 122, nxpk= 15, iat= 963, 961, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 THR HA 62 ASN HN 4.50 (# 123:15 Unique 3.10, 3.38 A)
&rst
ixpk= 123, nxpk= 15, iat=1029, 961, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:124 62 ASN HN 3.50 (# 124:15 Single Ambig)
&rst
ixpk= 124, nxpk= 15, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
956, 957,1113,1114,1115,1117,1118,1119,1113,1114,
1115,1117,1118,1119,
&end
#
# 0 AMB 15-2:133 32 LEU HN 4.50 (# 133:15 Single Ambig)
&rst
ixpk= 133, nxpk= 15, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 522, 481,
&end
#
# 32 LEU HA 32 LEU HN 3.50 (# 134:15 Unique 2.91, 2.96 A)
&rst
ixpk= 134, nxpk= 15, iat= 505, 503, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 LYS HA 32 LEU HN 2.50 (# 135:15 Unique 2.27, 2.40 A)
&rst
ixpk= 135, nxpk= 15, iat= 483, 503, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 15-2:136 32 LEU HN 2.50 (# 136:15 Single Ambig)
&rst
ixpk= 136, nxpk= 15, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 507, 508, 485, 486,
&end
#
# 32 LEU HB- 32 LEU HN 3.50 (# 137:15 Unique 2.24, 2.63 A)
&rst
ixpk= 137, nxpk= 15, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 507, 508,
&end
#
# 31 LYS HG- 32 LEU HN 4.50 (# 138:15 Unique 3.16, 4.41 A)
&rst
ixpk= 138, nxpk= 15, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 488, 489,
&end
#
# 73 LEU MDX 32 LEU HN 4.50 (# 139:15 Unique 2.36, 4.50 A)
&rst
ixpk= 139, nxpk= 15, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1132,1133,1134,1136,1137,1138,
&end
#
# 0 AMB 15-2:140 32 LEU HN 4.50 (# 140:15 Single Ambig)
&rst
ixpk= 140, nxpk= 15, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1132,1133,1134,1136,1137,1138, 596, 597, 598, 600,
601, 602,
&end
#
# 0 AMB 15-2:143 90 ARG HN 3.50 (# 143:15 Single Ambig)
&rst
ixpk= 143, nxpk= 15, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1392,1393, 221, 222,
&end
#
# 90 ARG HB- 90 ARG HN 3.50 (# 144:15 Unique 2.17, 3.07 A)
&rst
ixpk= 144, nxpk= 15, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1392,1393,
&end
#
# 74 GLU HN 75 TYR HN 3.50 (# 145:15 Unique 2.40, 2.50 A)
&rst
ixpk= 145, nxpk= 15, iat=1142,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 TYR HD 75 TYR HN 4.50 (# 146:15 Unique 4.32, 4.69 A)
&rst
ixpk= 146, nxpk= 15, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1165,1174,
&end
#
# 75 TYR HA 75 TYR HN 3.50 (# 147:15 Unique 2.79, 2.81 A)
&rst
ixpk= 147, nxpk= 15, iat=1159,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 TYR HB+ 75 TYR HN 2.50 (# 148:15 Unique 2.30, 2.47 A)
&rst
ixpk= 148, nxpk= 15, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1161,1162,
&end
#
# 75 TYR HB- 75 TYR HN 2.50 (# 149:15 Unique 2.30, 2.47 A)
&rst
ixpk= 149, nxpk= 15, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1161,1162,
&end
#
# 74 GLU HB- 75 TYR HN 3.50 (# 150:15 Unique 2.57, 3.23 A)
&rst
ixpk= 150, nxpk= 15, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1146,1147,
&end
#
# 0 AMB 15-2:151 75 TYR HN 4.50 (# 151:15 Single Ambig)
&rst
ixpk= 151, nxpk= 15, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1096,1097,1099,1100,1185,
&end
#
# 0 AMB 15-2:152 75 TYR HN 4.50 (# 152:15 Single Ambig)
&rst
ixpk= 152, nxpk= 15, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
1118,1119,1033,1034,1035,1132,1133,1134,1136,1137,
1138,
&end
#
# 90 ARG HA 90 ARG HN 3.50 (# 154:15 Unique 2.83, 2.90 A)
&rst
ixpk= 154, nxpk= 15, iat=1390,1388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 GLY QA 90 ARG HN 2.50 (# 156:15 Unique 2.15, 2.60 A)
&rst
ixpk= 156, nxpk= 15, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1383,1384,
&end
#
# 90 ARG QD 90 ARG HN 4.50 (# 158:15 Unique 2.00, 3.76 A)
&rst
ixpk= 158, nxpk= 15, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1398,1399,
&end
#
# 54 LEU MDY 90 ARG HN 4.50 (# 159:15 Unique 2.85, 5.44 A)
&rst
ixpk= 159, nxpk= 15, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 8 HIS HA 9 LEU HN 3.50 (# 162:15 Unique 2.23, 2.82 A)
&rst
ixpk= 162, nxpk= 15, iat= 115, 130, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 HIS QB 9 LEU HN 3.50 (# 165:15 Unique 2.40, 3.58 A)
&rst
ixpk= 165, nxpk= 15, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 117, 118,
&end
#
# 0 AMB 15-2:166 9 LEU HN 2.50 (# 166:15 Single Ambig)
&rst
ixpk= 166, nxpk= 15, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 137, 134, 135,
&end
#
# 0 AMB 15-2:168 9 LEU HN 3.50 (# 168:15 Single Ambig)
&rst
ixpk= 168, nxpk= 15, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 139, 140, 141, 143, 144, 145, 139, 140, 141, 143,
144, 145,
&end
#
# 0 AMB 15-2:171 37 VAL HN 4.50 (# 171:15 Single Ambig)
&rst
ixpk= 171, nxpk= 15, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 596, 597, 598, 600, 601, 602, 596, 597, 598, 600,
601, 602,
&end
#
# 7 HIS HA 8 HIS HN 2.50 (# 175:15 Unique 2.15, 2.38 A)
&rst
ixpk= 175, nxpk= 15, iat= 98, 113, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 8 HIS HA 8 HIS HN 3.50 (# 176:15 Unique 2.21, 2.82 A)
&rst
ixpk= 176, nxpk= 15, iat= 115, 113, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 HIS QB 8 HIS HN 4.50 (# 177:15 Unique 2.09, 3.41 A)
&rst
ixpk= 177, nxpk= 15, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 100, 101,
&end
#
# 8 HIS QB 8 HIS HN 3.50 (# 178:15 Unique 2.28, 3.13 A)
&rst
ixpk= 178, nxpk= 15, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 117, 118,
&end
#
# 91 PRO HA 92 ARG HN 3.50 (# 183:15 Unique 2.11, 2.82 A)
&rst
ixpk= 183, nxpk= 15, iat=1422,1426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:184 92 ARG HN 5.50 (# 184:15 Single Ambig)
&rst
ixpk= 184, nxpk= 15, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 576, 577,1436,1437,
&end
#
# 91 PRO HB+ 92 ARG HN 3.50 (# 185:15 Unique 2.36, 3.68 A)
&rst
ixpk= 185, nxpk= 15, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1419,1420,
&end
#
# 0 AMB 15-2:186 92 ARG HN 3.50 (# 186:15 Single Ambig)
&rst
ixpk= 186, nxpk= 15, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1430,1431,1392,1393,
&end
#
# 0 AMB 15-2:188 0 AMB 15-1:188 4.50 (# 188:15 Double Ambig)
&rst
ixpk= 188, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 856, 857, 858, 860, 861, 862, 882, 883, 884,1328,
1329,
igr2=1426,1307,
&end
#
# 12 TYR HA 12 TYR HN 3.50 (# 189:15 Unique 2.21, 2.86 A)
&rst
ixpk= 189, nxpk= 15, iat= 174, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 TYR HB- 12 TYR HN 3.50 (# 190:15 Unique 2.27, 3.35 A)
&rst
ixpk= 190, nxpk= 15, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 176, 177,
&end
#
# 12 TYR HD 12 TYR HN 3.50 (# 194:15 Unique 2.10, 3.78 A)
&rst
ixpk= 194, nxpk= 15, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 180, 189,
&end
#
# 11 SER HA 12 TYR HN 3.50 (# 196:15 Unique 2.10, 2.81 A)
&rst
ixpk= 196, nxpk= 15, iat= 163, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 SER QB 12 TYR HN 3.50 (# 197:15 Unique 2.02, 3.45 A)
&rst
ixpk= 197, nxpk= 15, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 165, 166,
&end
#
# 0 AMB 15-2:199 52 ALA HN 2.50 (# 199:15 Single Ambig)
&rst
ixpk= 199, nxpk= 15, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 806,1390,
&end
#
# 51 HIS HB- 52 ALA HN 4.50 (# 200:15 Unique 2.15, 3.29 A)
&rst
ixpk= 200, nxpk= 15, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 808, 809,
&end
#
# 52 ALA MB 52 ALA HN 3.50 (# 201:15 Unique 2.35, 3.04 A)
&rst
ixpk= 201, nxpk= 15, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 825, 826, 827,
&end
#
# 84 VAL HA 85 SER HN 2.50 (# 203:15 Unique 2.26, 2.35 A)
&rst
ixpk= 203, nxpk= 15, iat=1293,1307, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 15-2:204 85 SER HN 3.50 (# 204:15 Single Ambig)
&rst
ixpk= 204, nxpk= 15, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1311,1312,1311,1312,
&end
#
# 84 VAL MGX 85 SER HN 4.50 (# 205:15 Unique 3.62, 4.51 A)
&rst
ixpk= 205, nxpk= 15, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1297,1298,1299,1301,1302,1303,
&end
#
# 0 AMB 15-2:207 15 ARG HN 3.50 (# 207:15 Single Ambig)
&rst
ixpk= 207, nxpk= 15, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 213, 219,
&end
#
# 14 PRO HB+ 15 ARG HN 3.50 (# 208:15 Unique 2.69, 3.67 A)
&rst
ixpk= 208, nxpk= 15, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 210, 211,
&end
#
# 15 ARG HB- 15 ARG HN 3.50 (# 209:15 Unique 2.27, 3.20 A)
&rst
ixpk= 209, nxpk= 15, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 221, 222,
&end
#
# 16 ALA MB 15 ARG HN 7.00 (# 210:15 Unique 3.83, 5.70 A)
&rst
ixpk= 210, nxpk= 15, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 245, 246, 247,
&end
#
# 10 ASP HA 10 ASP HN 3.50 (# 212:15 Unique 2.24, 2.85 A)
&rst
ixpk= 212, nxpk= 15, iat= 151, 149, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 LEU HA 10 ASP HN 2.50 (# 213:15 Unique 2.13, 2.32 A)
&rst
ixpk= 213, nxpk= 15, iat= 132, 149, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 10 ASP QB 10 ASP HN 2.50 (# 215:15 Unique 2.23, 2.71 A)
&rst
ixpk= 215, nxpk= 15, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 153, 154,
&end
#
# 0 AMB 15-2:217 10 ASP HN 4.50 (# 217:15 Single Ambig)
&rst
ixpk= 217, nxpk= 15, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 137, 134, 135,
&end
#
# 0 AMB 15-2:218 10 ASP HN 3.50 (# 218:15 Single Ambig)
&rst
ixpk= 218, nxpk= 15, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 139, 140, 141, 143, 144, 145, 139, 140, 141, 143,
144, 145,
&end
#
# 0 AMB 15-2:225 7 HIS HN 3.50 (# 225:15 Single Ambig)
&rst
ixpk= 225, nxpk= 15, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 81, 98,
&end
#
# 23 SER QB 24 TYR HN 2.50 (# 226:15 Unique 2.15, 2.86 A)
&rst
ixpk= 226, nxpk= 15, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 351, 352,
&end
#
# 24 TYR QB 24 TYR HN 3.50 (# 228:15 Unique 2.14, 3.25 A)
&rst
ixpk= 228, nxpk= 15, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 362, 363,
&end
#
# 50 GLY HN 51 HIS HN 3.50 (# 229:15 Unique 2.59, 2.77 A)
&rst
ixpk= 229, nxpk= 15, iat= 797, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 HIS HA 51 HIS HN 3.50 (# 230:15 Unique 2.88, 2.93 A)
&rst
ixpk= 230, nxpk= 15, iat= 806, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 HIS HB+ 51 HIS HN 3.50 (# 231:15 Unique 2.23, 2.96 A)
&rst
ixpk= 231, nxpk= 15, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 808, 809,
&end
#
# 51 HIS HB- 51 HIS HN 3.50 (# 232:15 Unique 2.23, 2.96 A)
&rst
ixpk= 232, nxpk= 15, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 808, 809,
&end
#
# 39 VAL HB 51 HIS HN 3.50 (# 233:15 Unique 2.10, 2.64 A)
&rst
ixpk= 233, nxpk= 15, iat= 629, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:234 51 HIS HN 4.50 (# 234:15 Single Ambig)
&rst
ixpk= 234, nxpk= 15, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 615, 616, 617, 619, 620, 621, 615, 616, 617, 619,
620, 621, 787, 788, 789, 791, 792, 793, 787, 788,
789, 791, 792, 793,
&end
#
# 39 VAL MGX 51 HIS HN 3.50 (# 235:15 Unique 3.53, 4.64 A)
&rst
ixpk= 235, nxpk= 15, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 631, 632, 633, 635, 636, 637,
&end
#
# 58 GLY HN 59 MET HN 3.50 (# 236:15 Unique 2.45, 2.65 A)
&rst
ixpk= 236, nxpk= 15, iat= 909, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 MET HA 59 MET HN 3.50 (# 237:15 Unique 2.93, 2.95 A)
&rst
ixpk= 237, nxpk= 15, iat= 918, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:238 59 MET HN 3.50 (# 238:15 Single Ambig)
&rst
ixpk= 238, nxpk= 15, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 923, 924, 923, 924,
&end
#
# 59 MET HB+ 59 MET HN 3.50 (# 239:15 Unique 2.36, 3.09 A)
&rst
ixpk= 239, nxpk= 15, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 920, 921,
&end
#
# 55 ALA MB 59 MET HN 4.50 (# 240:15 Unique 2.97, 4.60 A)
&rst
ixpk= 240, nxpk= 15, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 870, 871, 872,
&end
#
# 17 GLU HA 17 GLU HN 3.50 (# 241:15 Unique 2.20, 2.76 A)
&rst
ixpk= 241, nxpk= 15, iat= 253, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 ALA HA 17 GLU HN 3.50 (# 242:15 Unique 2.22, 2.70 A)
&rst
ixpk= 242, nxpk= 15, iat= 243, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 GLU QG 17 GLU HN 3.50 (# 243:15 Unique 2.22, 3.48 A)
&rst
ixpk= 243, nxpk= 15, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 258, 259,
&end
#
# 17 GLU HB+ 17 GLU HN 3.50 (# 244:15 Unique 2.29, 3.31 A)
&rst
ixpk= 244, nxpk= 15, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 255, 256,
&end
#
# 0 AMB 15-2:245 17 GLU HN 3.50 (# 245:15 Single Ambig)
&rst
ixpk= 245, nxpk= 15, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 255, 256, 221, 222,
&end
#
# 90 ARG HB- 17 GLU HN 7.00 (# 246:15 Unique 5.03, 7.24 A)
&rst
ixpk= 246, nxpk= 15, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1392,1393,
&end
#
# 16 ALA MB 17 GLU HN 3.50 (# 247:15 Unique 2.00, 3.50 A)
&rst
ixpk= 247, nxpk= 15, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 245, 246, 247,
&end
#
# 0 AMB 15-2:250 70 LYS HN 4.50 (# 250:15 Single Ambig)
&rst
ixpk= 250, nxpk= 15, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1010,1011,1083,1084,
&end
#
# 62 ASN HN 65 TYR HN 4.50 (# 255:15 Unique 2.84, 3.42 A)
&rst
ixpk= 255, nxpk= 15, iat= 961,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 ARG HN 65 TYR HN 2.50 (# 256:15 Unique 1.79, 2.07 A)
&rst
ixpk= 256, nxpk= 15, iat= 982,1006, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 65 TYR HA 65 TYR HN 3.50 (# 258:15 Unique 2.97, 2.98 A)
&rst
ixpk= 258, nxpk= 15, iat=1008,1006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 ARG HA 65 TYR HN 3.50 (# 259:15 Unique 3.01, 3.31 A)
&rst
ixpk= 259, nxpk= 15, iat= 984,1006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 GLY HA- 65 TYR HN 4.50 (# 260:15 Unique 3.67, 4.39 A)
&rst
ixpk= 260, nxpk= 15, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 977, 978,
&end
#
# 0 AMB 15-2:261 65 TYR HN 3.50 (# 261:15 Single Ambig)
&rst
ixpk= 261, nxpk= 15, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1010,1011, 992, 993,
&end
#
# 64 ARG HB+ 65 TYR HN 4.50 (# 262:15 Unique 3.14, 4.36 A)
&rst
ixpk= 262, nxpk= 15, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 986, 987,
&end
#
# 0 AMB 15-2:263 65 TYR HN 4.50 (# 263:15 Single Ambig)
&rst
ixpk= 263, nxpk= 15, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 989, 990, 986, 987,
&end
#
# 65 TYR HD 65 TYR HN 3.50 (# 265:15 Unique 2.77, 3.93 A)
&rst
ixpk= 265, nxpk= 15, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1014,1023,
&end
#
# 65 TYR HB+ 65 TYR HN 3.50 (# 266:15 Unique 2.59, 3.23 A)
&rst
ixpk= 266, nxpk= 15, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1010,1011,
&end
#
# 61 VAL HB 65 TYR HN 5.50 (# 267:15 Unique 3.56, 3.84 A)
&rst
ixpk= 267, nxpk= 15, iat= 949,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:268 65 TYR HN 4.50 (# 268:15 Single Ambig)
&rst
ixpk= 268, nxpk= 15, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1113,1114,1115,1117,1118,1119,1113,1114,1115,1117,
1118,1119, 596, 597, 598, 600, 601, 602, 596, 597,
598, 600, 601, 602,
&end
#
# 66 THR HN 70 LYS HN 3.50 (# 269:15 Unique 2.87, 3.06 A)
&rst
ixpk= 269, nxpk= 15, iat=1027,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:270 70 LYS HN 4.50 (# 270:15 Single Ambig)
&rst
ixpk= 270, nxpk= 15, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1092,1041,
&end
#
# 69 GLY HN 70 LYS HN 2.50 (# 271:15 Unique 2.05, 2.10 A)
&rst
ixpk= 271, nxpk= 15, iat=1063,1070, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 70 LYS HA 70 LYS HN 3.50 (# 273:15 Unique 2.85, 2.90 A)
&rst
ixpk= 273, nxpk= 15, iat=1072,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:274 70 LYS HN 4.50 (# 274:15 Single Ambig)
&rst
ixpk= 274, nxpk= 15, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1031,1029,
&end
#
# 69 GLY HA+ 70 LYS HN 3.50 (# 275:15 Unique 3.21, 3.36 A)
&rst
ixpk= 275, nxpk= 15, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1065,1066,
&end
#
# 69 GLY HA- 70 LYS HN 3.50 (# 276:15 Unique 3.21, 3.36 A)
&rst
ixpk= 276, nxpk= 15, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1065,1066,
&end
#
# 70 LYS HB+ 70 LYS HN 3.50 (# 277:15 Unique 2.26, 3.03 A)
&rst
ixpk= 277, nxpk= 15, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1074,1075,
&end
#
# 70 LYS QG 70 LYS HN 3.50 (# 278:15 Unique 2.06, 2.94 A)
&rst
ixpk= 278, nxpk= 15, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1077,1078,
&end
#
# 66 THR MG2 70 LYS HN 3.50 (# 279:15 Unique 3.71, 4.37 A)
&rst
ixpk= 279, nxpk= 15, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1033,1034,1035,
&end
#
# 54 LEU HN 55 ALA HN 2.50 (# 286:15 Unique 1.83, 1.98 A)
&rst
ixpk= 286, nxpk= 15, iat= 847, 866, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 54 LEU HB+ 55 ALA HN 4.50 (# 288:15 Unique 2.62, 3.34 A)
&rst
ixpk= 288, nxpk= 15, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 851, 852,
&end
#
# 55 ALA MB 55 ALA HN 3.50 (# 289:15 Unique 2.93, 3.51 A)
&rst
ixpk= 289, nxpk= 15, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 870, 871, 872,
&end
#
# 0 AMB 15-2:290 55 ALA HN 3.50 (# 290:15 Single Ambig)
&rst
ixpk= 290, nxpk= 15, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 837, 838, 839, 841, 842, 843, 951, 952, 953, 955,
956, 957, 951, 952, 953, 955, 956, 957,
&end
#
# 53 VAL MGY 55 ALA HN 3.50 (# 291:15 Unique 2.79, 4.84 A)
&rst
ixpk= 291, nxpk= 15, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 837, 838, 839, 841, 842, 843,
&end
#
# 0 AMB 15-2:292 74 GLU HN 2.50 (# 292:15 Single Ambig)
&rst
ixpk= 292, nxpk= 15, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1146,1147,1149,1150,
&end
#
# 38 LEU HN 31 LYS HN 3.50 (# 293:15 Unique 2.55, 2.71 A)
&rst
ixpk= 293, nxpk= 15, iat= 606, 481, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:294 31 LYS HN 4.50 (# 294:15 Single Ambig)
&rst
ixpk= 294, nxpk= 15, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 503, 462,
&end
#
# 30 LEU HA 31 LYS HN 2.50 (# 295:15 Unique 2.28, 2.38 A)
&rst
ixpk= 295, nxpk= 15, iat= 464, 481, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 31 LYS HA 31 LYS HN 3.50 (# 296:15 Unique 2.91, 2.94 A)
&rst
ixpk= 296, nxpk= 15, iat= 483, 481, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:297 31 LYS HN 3.50 (# 297:15 Single Ambig)
&rst
ixpk= 297, nxpk= 15, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 491, 492, 466, 467,
&end
#
# 0 AMB 15-2:298 31 LYS HN 3.50 (# 298:15 Single Ambig)
&rst
ixpk= 298, nxpk= 15, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 488, 489, 645, 646, 647,
&end
#
# 30 LEU HB- 31 LYS HN 3.50 (# 299:15 Unique 2.56, 3.28 A)
&rst
ixpk= 299, nxpk= 15, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 466, 467,
&end
#
# 77 GLY HN 78 ASN HN 3.50 (# 302:15 Unique 2.69, 2.76 A)
&rst
ixpk= 302, nxpk= 15, iat=1197,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 ASN HD2+ 78 ASN HN 5.50 (# 303:15 Unique 4.60, 5.28 A)
&rst
ixpk= 303, nxpk= 15, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1213,1214,
&end
#
# 0 AMB 15-2:304 78 ASN HN 4.50 (# 304:15 Single Ambig)
&rst
ixpk= 304, nxpk= 15, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1251,1252,1266,1271,
&end
#
# 78 ASN HA 78 ASN HN 3.50 (# 305:15 Unique 2.74, 2.85 A)
&rst
ixpk= 305, nxpk= 15, iat=1206,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 GLY HA+ 78 ASN HN 3.50 (# 306:15 Unique 2.87, 3.27 A)
&rst
ixpk= 306, nxpk= 15, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1199,1200,
&end
#
# 77 GLY HA- 78 ASN HN 3.50 (# 307:15 Unique 2.87, 3.27 A)
&rst
ixpk= 307, nxpk= 15, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1199,1200,
&end
#
# 78 ASN HB+ 78 ASN HN 2.50 (# 308:15 Unique 2.38, 2.49 A)
&rst
ixpk= 308, nxpk= 15, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1208,1209,
&end
#
# 78 ASN HB- 78 ASN HN 2.50 (# 309:15 Unique 2.38, 2.49 A)
&rst
ixpk= 309, nxpk= 15, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1208,1209,
&end
#
# 0 AMB 15-2:311 80 ALA HN 5.50 (# 311:15 Single Ambig)
&rst
ixpk= 311, nxpk= 15, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1256,1264,1273,
&end
#
# 78 ASN HD2- 80 ALA HN 5.50 (# 312:15 Unique 3.40, 4.22 A)
&rst
ixpk= 312, nxpk= 15, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1213,1214,
&end
#
# 78 ASN HA 80 ALA HN 4.50 (# 313:15 Unique 3.78, 3.86 A)
&rst
ixpk= 313, nxpk= 15, iat=1206,1232, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 ALA HA 80 ALA HN 3.50 (# 314:15 Unique 2.86, 2.88 A)
&rst
ixpk= 314, nxpk= 15, iat=1234,1232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 PRO HD+ 80 ALA HN 3.50 (# 315:15 Unique 2.86, 3.52 A)
&rst
ixpk= 315, nxpk= 15, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1219,1220,
&end
#
# 0 AMB 15-2:316 80 ALA HN 3.50 (# 316:15 Single Ambig)
&rst
ixpk= 316, nxpk= 15, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1219,1220,1228,
&end
#
# 79 PRO HG+ 80 ALA HN 3.50 (# 317:15 Unique 2.79, 3.74 A)
&rst
ixpk= 317, nxpk= 15, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1222,1223,
&end
#
# 79 PRO HB+ 80 ALA HN 4.50 (# 318:15 Unique 3.75, 4.22 A)
&rst
ixpk= 318, nxpk= 15, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1225,1226,
&end
#
# 80 ALA MB 80 ALA HN 2.50 (# 319:15 Unique 2.50, 2.89 A)
&rst
ixpk= 319, nxpk= 15, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1236,1237,1238,
&end
#
# 79 PRO HB- 80 ALA HN 4.50 (# 320:15 Unique 3.75, 4.22 A)
&rst
ixpk= 320, nxpk= 15, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1225,1226,
&end
#
# 51 HIS HN 39 VAL HN 4.50 (# 321:15 Unique 3.05, 3.46 A)
&rst
ixpk= 321, nxpk= 15, iat= 804, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 LEU HB+ 39 VAL HN 3.50 (# 322:15 Unique 2.62, 3.37 A)
&rst
ixpk= 322, nxpk= 15, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 610, 611,
&end
#
# 38 LEU HA 39 VAL HN 2.50 (# 324:15 Unique 2.24, 2.29 A)
&rst
ixpk= 324, nxpk= 15, iat= 608, 625, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 39 VAL HA 39 VAL HN 4.50 (# 325:15 Unique 2.85, 2.87 A)
&rst
ixpk= 325, nxpk= 15, iat= 627, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 VAL HB 39 VAL HN 3.50 (# 326:15 Unique 2.38, 2.46 A)
&rst
ixpk= 326, nxpk= 15, iat= 629, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 LEU HB- 39 VAL HN 3.50 (# 327:15 Unique 2.62, 3.37 A)
&rst
ixpk= 327, nxpk= 15, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 610, 611,
&end
#
# 39 VAL MGX 39 VAL HN 3.50 (# 328:15 Unique 2.12, 3.80 A)
&rst
ixpk= 328, nxpk= 15, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 631, 632, 633, 635, 636, 637,
&end
#
# 59 MET HN 56 ILE HN 3.50 (# 330:15 Unique 2.75, 3.05 A)
&rst
ixpk= 330, nxpk= 15, iat= 916, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:332 56 ILE HN 3.50 (# 332:15 Single Ambig)
&rst
ixpk= 332, nxpk= 15, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 878, 935,
&end
#
# 56 ILE HB 56 ILE HN 3.50 (# 333:15 Unique 2.75, 2.83 A)
&rst
ixpk= 333, nxpk= 15, iat= 880, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ALA MB 56 ILE HN 2.50 (# 334:15 Unique 2.55, 3.38 A)
&rst
ixpk= 334, nxpk= 15, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 870, 871, 872,
&end
#
# 0 AMB 15-2:335 56 ILE HN 2.50 (# 335:15 Single Ambig)
&rst
ixpk= 335, nxpk= 15, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
956, 957,
&end
#
# 81 ASN HN 82 TYR HN 3.50 (# 336:15 Unique 2.22, 2.45 A)
&rst
ixpk= 336, nxpk= 15, iat=1242,1256, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:337 82 TYR HN 5.50 (# 337:15 Single Ambig)
&rst
ixpk= 337, nxpk= 15, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1251,1252, 368, 373,
&end
#
# 81 ASN HA 82 TYR HN 3.50 (# 338:15 Unique 2.71, 3.04 A)
&rst
ixpk= 338, nxpk= 15, iat=1244,1256, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 TYR HA 82 TYR HN 3.50 (# 339:15 Unique 2.83, 2.87 A)
&rst
ixpk= 339, nxpk= 15, iat=1258,1256, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 PRO HA 82 TYR HN 4.50 (# 340:15 Unique 2.82, 3.11 A)
&rst
ixpk= 340, nxpk= 15, iat=1228,1256, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 TYR HB- 82 TYR HN 3.50 (# 341:15 Unique 2.08, 2.86 A)
&rst
ixpk= 341, nxpk= 15, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1260,1261,
&end
#
# 0 AMB 15-2:347 95 SER HN 3.50 (# 347:15 Single Ambig)
&rst
ixpk= 347, nxpk= 15, iat= -1,1483, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1485,1471,
&end
#
# 0 AMB 15-2:348 95 SER HN 4.50 (# 348:15 Single Ambig)
&rst
ixpk= 348, nxpk= 15, iat= -1,1483, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1473,1428,
&end
#
# 0 AMB 15-2:349 0 AMB 15-1:349 2.50 (# 349:15 Double Ambig)
&rst
ixpk= 349, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=1487,1488, 23, 24,
igr2=1483, 28,
&end
#
# 72 VAL HN 73 LEU HN 3.50 (# 350:15 Unique 2.83, 2.93 A)
&rst
ixpk= 350, nxpk= 15, iat=1107,1123, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 GLU HN 73 LEU HN 4.50 (# 351:15 Unique 2.35, 2.69 A)
&rst
ixpk= 351, nxpk= 15, iat=1142,1123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 LEU HA 73 LEU HN 3.50 (# 352:15 Unique 2.77, 2.87 A)
&rst
ixpk= 352, nxpk= 15, iat=1125,1123, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:353 73 LEU HN 5.50 (# 353:15 Single Ambig)
&rst
ixpk= 353, nxpk= 15, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1096,1097,1149,1150,
&end
#
# 73 LEU HB+ 73 LEU HN 3.50 (# 354:15 Unique 2.35, 3.06 A)
&rst
ixpk= 354, nxpk= 15, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1127,1128,
&end
#
# 0 AMB 15-2:355 73 LEU HN 3.50 (# 355:15 Single Ambig)
&rst
ixpk= 355, nxpk= 15, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1130,1111,
&end
#
# 73 LEU HB- 73 LEU HN 3.50 (# 356:15 Unique 2.35, 3.06 A)
&rst
ixpk= 356, nxpk= 15, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1127,1128,
&end
#
# 73 LEU MDX 73 LEU HN 4.50 (# 357:15 Unique 1.88, 4.33 A)
&rst
ixpk= 357, nxpk= 15, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1132,1133,1134,1136,1137,1138,
&end
#
# 0 AMB 15-2:358 73 LEU HN 3.50 (# 358:15 Single Ambig)
&rst
ixpk= 358, nxpk= 15, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1132,1133,1134,1136,1137,1138,1113,1114,1115,1117,
1118,1119,1113,1114,1115,1117,1118,1119,
&end
#
# 0 AMB 15-2:359 95 SER HN 3.50 (# 359:15 Single Ambig)
&rst
ixpk= 359, nxpk= 15, iat= -1,1483, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1469,1494,
&end
#
# 40 ALA HN 41 PHE HN 2.50 (# 362:15 Unique 1.95, 2.25 A)
&rst
ixpk= 362, nxpk= 15, iat= 641, 651, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 30 LEU HN 41 PHE HN 5.50 (# 363:15 Unique 4.62, 4.64 A)
&rst
ixpk= 363, nxpk= 15, iat= 462, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ALA HA 41 PHE HN 3.50 (# 365:15 Unique 3.56, 3.57 A)
&rst
ixpk= 365, nxpk= 15, iat= 643, 651, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 PHE HA 41 PHE HN 3.50 (# 366:15 Unique 2.90, 2.94 A)
&rst
ixpk= 366, nxpk= 15, iat= 653, 651, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 VAL HA 41 PHE HN 4.50 (# 367:15 Unique 3.54, 3.78 A)
&rst
ixpk= 367, nxpk= 15, iat= 627, 651, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 PHE HB+ 41 PHE HN 3.50 (# 368:15 Unique 2.87, 3.23 A)
&rst
ixpk= 368, nxpk= 15, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 655, 656,
&end
#
# 41 PHE HB- 41 PHE HN 3.50 (# 369:15 Unique 2.87, 3.23 A)
&rst
ixpk= 369, nxpk= 15, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 655, 656,
&end
#
# 29 LEU HB+ 41 PHE HN 4.50 (# 370:15 Unique 2.17, 3.36 A)
&rst
ixpk= 370, nxpk= 15, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 447, 448,
&end
#
# 29 LEU HB- 41 PHE HN 3.50 (# 371:15 Unique 2.17, 3.36 A)
&rst
ixpk= 371, nxpk= 15, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 447, 448,
&end
#
# 40 ALA MB 41 PHE HN 3.50 (# 372:15 Unique 2.47, 3.41 A)
&rst
ixpk= 372, nxpk= 15, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 645, 646, 647,
&end
#
# 0 AMB 15-2:373 41 PHE HN 3.50 (# 373:15 Single Ambig)
&rst
ixpk= 373, nxpk= 15, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
792, 793,
&end
#
# 0 AMB 15-2:374 41 PHE HN 3.50 (# 374:15 Single Ambig)
&rst
ixpk= 374, nxpk= 15, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 631, 632, 633, 635, 636, 637, 471, 472, 473, 475,
476, 477,
&end
#
# 60 ASP HA 61 VAL HN 2.50 (# 376:15 Unique 2.21, 2.26 A)
&rst
ixpk= 376, nxpk= 15, iat= 935, 945, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 15-2:377 61 VAL HN 2.50 (# 377:15 Single Ambig)
&rst
ixpk= 377, nxpk= 15, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
956, 957,
&end
#
# 78 ASN HD2+ 81 ASN HD2- 4.50 (# 380:15 Unique 3.21, 5.29 A)
&rst
ixpk= 380, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1213,1214,
igr2=1251,1252,
&end
#
# 78 ASN HB+ 81 ASN HD2- 3.50 (# 382:15 Unique 2.35, 4.57 A)
&rst
ixpk= 382, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1208,1209,
igr2=1251,1252,
&end
#
# 81 ASN HB+ 81 ASN HD2- 4.50 (# 383:15 Unique 2.16, 3.24 A)
&rst
ixpk= 383, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1246,1247,
igr2=1251,1252,
&end
#
# 0 AMB 15-2:387 36 ARG HN 3.50 (# 387:15 Single Ambig)
&rst
ixpk= 387, nxpk= 15, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 512, 513, 514, 516, 517, 518, 615, 616, 617, 619,
620, 621,
&end
#
# 33 HIS HN 36 ARG HN 3.50 (# 388:15 Unique 2.83, 2.92 A)
&rst
ixpk= 388, nxpk= 15, iat= 522, 566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 GLU HN 36 ARG HN 3.50 (# 389:15 Unique 2.75, 2.90 A)
&rst
ixpk= 389, nxpk= 15, iat= 551, 566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 ARG HA 36 ARG HN 3.50 (# 391:15 Unique 2.95, 2.98 A)
&rst
ixpk= 391, nxpk= 15, iat= 568, 566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:392 36 ARG HN 3.50 (# 392:15 Single Ambig)
&rst
ixpk= 392, nxpk= 15, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 543, 544, 555, 556, 558, 559,
&end
#
# 0 AMB 15-2:393 36 ARG HN 3.50 (# 393:15 Single Ambig)
&rst
ixpk= 393, nxpk= 15, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 570, 571, 986, 987,
&end
#
# 51 HIS HN 50 GLY HN 4.50 (# 394:15 Unique 2.59, 2.77 A)
&rst
ixpk= 394, nxpk= 15, iat= 804, 797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 GLY HA+ 50 GLY HN 3.50 (# 395:15 Unique 2.27, 2.61 A)
&rst
ixpk= 395, nxpk= 15, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 799, 800,
&end
#
# 50 GLY HA- 50 GLY HN 3.50 (# 396:15 Unique 2.27, 2.61 A)
&rst
ixpk= 396, nxpk= 15, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 799, 800,
&end
#
# 49 VAL HA 50 GLY HN 2.50 (# 397:15 Unique 2.13, 2.35 A)
&rst
ixpk= 397, nxpk= 15, iat= 783, 797, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 39 VAL HB 50 GLY HN 3.50 (# 398:15 Unique 2.32, 2.67 A)
&rst
ixpk= 398, nxpk= 15, iat= 629, 797, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:399 50 GLY HN 3.50 (# 399:15 Single Ambig)
&rst
ixpk= 399, nxpk= 15, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
792, 793,
&end
#
# 39 VAL MGY 50 GLY HN 3.50 (# 400:15 Unique 3.42, 4.83 A)
&rst
ixpk= 400, nxpk= 15, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 631, 632, 633, 635, 636, 637,
&end
#
# 22 PHE HA 23 SER HN 3.50 (# 401:15 Unique 2.17, 2.36 A)
&rst
ixpk= 401, nxpk= 15, iat= 329, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 GLU HA 36 ARG HN 3.50 (# 403:15 Unique 2.81, 3.02 A)
&rst
ixpk= 403, nxpk= 15, iat= 553, 566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 ARG HB+ 36 ARG HN 3.50 (# 404:15 Unique 2.52, 3.17 A)
&rst
ixpk= 404, nxpk= 15, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 570, 571,
&end
#
# 10 ASP HA 11 SER HN 3.50 (# 406:15 Unique 2.18, 2.92 A)
&rst
ixpk= 406, nxpk= 15, iat= 151, 161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 SER HA 11 SER HN 3.50 (# 407:15 Unique 2.21, 2.77 A)
&rst
ixpk= 407, nxpk= 15, iat= 163, 161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 SER QB 11 SER HN 3.50 (# 408:15 Unique 2.54, 3.29 A)
&rst
ixpk= 408, nxpk= 15, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 165, 166,
&end
#
# 10 ASP QB 11 SER HN 4.50 (# 409:15 Unique 2.58, 3.83 A)
&rst
ixpk= 409, nxpk= 15, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 153, 154,
&end
#
# 84 VAL MGX 57 ASN HD2- 4.50 (# 411:15 Unique 1.84, 5.12 A)
&rst
ixpk= 411, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1297,1298,1299,1301,1302,1303,
igr2= 904, 905,
&end
#
# 0 AMB 15-2:412 42 GLY HN 3.50 (# 412:15 Single Ambig)
&rst
ixpk= 412, nxpk= 15, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
792, 793,
&end
#
# 41 PHE HA 42 GLY HN 2.50 (# 413:15 Unique 2.17, 2.36 A)
&rst
ixpk= 413, nxpk= 15, iat= 653, 671, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 42 GLY HA- 42 GLY HN 3.50 (# 414:15 Unique 2.27, 2.78 A)
&rst
ixpk= 414, nxpk= 15, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 673, 674,
&end
#
# 57 ASN HB+ 57 ASN HD2- 3.50 (# 416:15 Unique 2.20, 3.25 A)
&rst
ixpk= 416, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 899, 900,
igr2= 904, 905,
&end
#
# 57 ASN HB- 57 ASN HD2- 3.50 (# 417:15 Unique 2.20, 3.25 A)
&rst
ixpk= 417, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 899, 900,
igr2= 904, 905,
&end
#
# 56 ILE MG2 57 ASN HD2- 3.50 (# 418:15 Unique 2.19, 4.08 A)
&rst
ixpk= 418, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 882, 883, 884,
igr2= 904, 905,
&end
#
# 57 ASN HB+ 57 ASN HD2+ 3.50 (# 420:15 Unique 2.20, 3.25 A)
&rst
ixpk= 420, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 899, 900,
igr2= 904, 905,
&end
#
# 57 ASN HB- 57 ASN HD2+ 3.50 (# 421:15 Unique 2.20, 3.25 A)
&rst
ixpk= 421, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 899, 900,
igr2= 904, 905,
&end
#
# 84 VAL MGX 57 ASN HD2+ 4.50 (# 422:15 Unique 1.84, 5.12 A)
&rst
ixpk= 422, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1297,1298,1299,1301,1302,1303,
igr2= 904, 905,
&end
#
# 56 ILE MG2 57 ASN HD2+ 4.50 (# 423:15 Unique 2.19, 4.08 A)
&rst
ixpk= 423, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 882, 883, 884,
igr2= 904, 905,
&end
#
# 93 LEU HN 94 THR HN 5.50 (# 425:15 Unique 1.97, 3.73 A)
&rst
ixpk= 425, nxpk= 15, iat=1450,1469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:427 94 THR HN 3.50 (# 427:15 Single Ambig)
&rst
ixpk= 427, nxpk= 15, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1452,1471,
&end
#
# 0 AMB 15-2:428 94 THR HN 4.50 (# 428:15 Single Ambig)
&rst
ixpk= 428, nxpk= 15, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1473,1428,
&end
#
# 93 LEU QB 94 THR HN 3.50 (# 429:15 Unique 2.05, 3.35 A)
&rst
ixpk= 429, nxpk= 15, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1454,1455,
&end
#
# 94 THR MG2 94 THR HN 4.50 (# 430:15 Unique 2.53, 3.80 A)
&rst
ixpk= 430, nxpk= 15, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1475,1476,1477,
&end
#
# 62 ASN HN 63 GLY HN 4.50 (# 432:15 Unique 3.48, 3.65 A)
&rst
ixpk= 432, nxpk= 15, iat= 961, 975, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 ASN HA 63 GLY HN 2.50 (# 433:15 Unique 2.17, 2.40 A)
&rst
ixpk= 433, nxpk= 15, iat= 963, 975, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 63 GLY HA+ 63 GLY HN 2.50 (# 434:15 Unique 2.24, 2.55 A)
&rst
ixpk= 434, nxpk= 15, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 977, 978,
&end
#
# 0 AMB 15-2:435 63 GLY HN 7.00 (# 435:15 Single Ambig)
&rst
ixpk= 435, nxpk= 15, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 984,1043,
&end
#
# 63 GLY HA- 63 GLY HN 3.50 (# 436:15 Unique 2.24, 2.55 A)
&rst
ixpk= 436, nxpk= 15, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 977, 978,
&end
#
# 62 ASN HB+ 63 GLY HN 4.50 (# 437:15 Unique 4.45, 4.55 A)
&rst
ixpk= 437, nxpk= 15, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 965, 966,
&end
#
# 62 ASN HB- 63 GLY HN 4.50 (# 438:15 Unique 4.45, 4.55 A)
&rst
ixpk= 438, nxpk= 15, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 965, 966,
&end
#
# 0 AMB 15-2:439 63 GLY HN 3.50 (# 439:15 Single Ambig)
&rst
ixpk= 439, nxpk= 15, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 951, 952, 953, 955, 956, 957, 951, 952, 953, 955,
956, 957,
&end
#
# 77 GLY HN 76 LEU HN 3.50 (# 442:15 Unique 2.51, 2.53 A)
&rst
ixpk= 442, nxpk= 15, iat=1197,1178, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 TYR HD 76 LEU HN 4.50 (# 443:15 Unique 3.19, 4.59 A)
&rst
ixpk= 443, nxpk= 15, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1165,1174,
&end
#
# 76 LEU HA 76 LEU HN 3.50 (# 444:15 Unique 2.89, 2.91 A)
&rst
ixpk= 444, nxpk= 15, iat=1180,1178, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:445 76 LEU HN 3.50 (# 445:15 Single Ambig)
&rst
ixpk= 445, nxpk= 15, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1125,1159,
&end
#
# 75 TYR HB+ 76 LEU HN 3.50 (# 446:15 Unique 2.36, 3.12 A)
&rst
ixpk= 446, nxpk= 15, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1161,1162,
&end
#
# 75 TYR HB- 76 LEU HN 3.50 (# 447:15 Unique 2.36, 3.12 A)
&rst
ixpk= 447, nxpk= 15, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1161,1162,
&end
#
# 76 LEU HG 76 LEU HN 3.50 (# 448:15 Unique 2.46, 2.53 A)
&rst
ixpk= 448, nxpk= 15, iat=1185,1178, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 76 LEU HB+ 76 LEU HN 3.50 (# 449:15 Unique 2.29, 2.96 A)
&rst
ixpk= 449, nxpk= 15, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1182,1183,
&end
#
# 76 LEU HB- 76 LEU HN 3.50 (# 450:15 Unique 2.29, 2.96 A)
&rst
ixpk= 450, nxpk= 15, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1182,1183,
&end
#
# 0 AMB 15-2:451 76 LEU HN 3.50 (# 451:15 Single Ambig)
&rst
ixpk= 451, nxpk= 15, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1187,1188,1189,1191,1192,1193,1132,1133,1134,1136,
1137,1138,
&end
#
# 0 AMB 15-2:452 76 LEU HN 3.50 (# 452:15 Single Ambig)
&rst
ixpk= 452, nxpk= 15, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1187,1188,1189,1191,1192,1193,1113,1114,1115,1117,
1118,1119,1113,1114,1115,1117,1118,1119,
&end
#
# 0 AMB 15-2:453 81 ASN HN 3.50 (# 453:15 Single Ambig)
&rst
ixpk= 453, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1251,1252,1232,
&end
#
# 82 TYR HN 81 ASN HN 3.50 (# 454:15 Unique 2.22, 2.45 A)
&rst
ixpk= 454, nxpk= 15, iat=1256,1242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 ASN HD2- 81 ASN HN 4.50 (# 455:15 Unique 2.12, 4.73 A)
&rst
ixpk= 455, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1251,1252,
&end
#
# 81 ASN HA 81 ASN HN 3.50 (# 456:15 Unique 2.94, 2.97 A)
&rst
ixpk= 456, nxpk= 15, iat=1244,1242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 ALA HA 81 ASN HN 3.50 (# 457:15 Unique 3.41, 3.44 A)
&rst
ixpk= 457, nxpk= 15, iat=1234,1242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 ASN HB+ 81 ASN HN 3.50 (# 458:15 Unique 2.46, 3.03 A)
&rst
ixpk= 458, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1246,1247,
&end
#
# 81 ASN HB- 81 ASN HN 3.50 (# 459:15 Unique 2.46, 3.03 A)
&rst
ixpk= 459, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1246,1247,
&end
#
# 80 ALA MB 81 ASN HN 3.50 (# 460:15 Unique 3.22, 3.93 A)
&rst
ixpk= 460, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1236,1237,1238,
&end
#
# 79 PRO HA 81 ASN HN 4.50 (# 461:15 Unique 3.16, 3.24 A)
&rst
ixpk= 461, nxpk= 15, iat=1228,1242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 TYR HE 64 ARG HE 3.50 (# 462:15 Unique 2.45, 3.87 A)
&rst
ixpk= 462, nxpk= 15, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1016,1021,
&end
#
# 64 ARG QD 64 ARG HE 2.50 (# 471:15 Unique 2.33, 2.81 A)
&rst
ixpk= 471, nxpk= 15, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 992, 993,
&end
#
# 64 ARG HB+ 64 ARG HE 4.50 (# 472:15 Unique 2.19, 3.82 A)
&rst
ixpk= 472, nxpk= 15, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 986, 987,
&end
#
# 0 AMB 15-2:473 64 ARG HE 3.50 (# 473:15 Single Ambig)
&rst
ixpk= 473, nxpk= 15, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 989, 990, 986, 987,
&end
#
# 0 AMB 15-2:474 64 ARG HE 4.50 (# 474:15 Single Ambig)
&rst
ixpk= 474, nxpk= 15, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
517, 518,
&end
#
# 32 LEU MDX 64 ARG HE 4.50 (# 475:15 Unique 2.38, 4.36 A)
&rst
ixpk= 475, nxpk= 15, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 0 AMB 15-2:477 0 AMB 15-1:477 5.50 (# 477:15 Double Ambig)
&rst
ixpk= 477, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1065,1066,1043,
igr2= 970, 971, 970, 971,
&end
#
# 62 ASN HB+ 62 ASN HD2+ 3.50 (# 478:15 Unique 2.28, 3.18 A)
&rst
ixpk= 478, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 965, 966,
igr2= 970, 971,
&end
#
# 62 ASN HB- 62 ASN HD2+ 3.50 (# 479:15 Unique 2.28, 3.18 A)
&rst
ixpk= 479, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 965, 966,
igr2= 970, 971,
&end
#
# 62 ASN HB- 62 ASN HD2- 4.50 (# 480:15 Unique 2.28, 3.18 A)
&rst
ixpk= 480, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 965, 966,
igr2= 970, 971,
&end
#
# 62 ASN HB+ 62 ASN HD2- 4.50 (# 482:15 Unique 2.28, 3.18 A)
&rst
ixpk= 482, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 965, 966,
igr2= 970, 971,
&end
#
# 43 GLN QG 43 GLN HE2+ 2.50 (# 485:15 Unique 2.23, 3.33 A)
&rst
ixpk= 485, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 685, 686,
igr2= 690, 691,
&end
#
# 43 GLN QB 43 GLN HE2+ 4.50 (# 486:15 Unique 2.36, 4.17 A)
&rst
ixpk= 486, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 682, 683,
igr2= 690, 691,
&end
#
# 43 GLN QG 43 GLN HE2- 4.50 (# 491:15 Unique 2.23, 3.33 A)
&rst
ixpk= 491, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 685, 686,
igr2= 690, 691,
&end
#
# 78 ASN HB+ 78 ASN HD2+ 3.50 (# 492:15 Unique 2.22, 3.15 A)
&rst
ixpk= 492, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1208,1209,
igr2=1213,1214,
&end
#
# 0 AMB 15-2:493 0 AMB 15-1:493 4.50 (# 493:15 Double Ambig)
&rst
ixpk= 493, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1251,1252,1232,
igr2=1213,1214,1213,1214,
&end
#
# 78 ASN HB- 78 ASN HD2+ 3.50 (# 495:15 Unique 2.22, 3.15 A)
&rst
ixpk= 495, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1208,1209,
igr2=1213,1214,
&end
#
# 80 ALA MB 78 ASN HD2+ 4.50 (# 496:15 Unique 2.05, 3.98 A)
&rst
ixpk= 496, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1236,1237,1238,
igr2=1213,1214,
&end
#
# 0 AMB 15-2:497 78 ASN HD2- 4.50 (# 497:15 Single Ambig)
&rst
ixpk= 497, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1251,1252,1232,
igr2=1213,1214,
&end
#
# 0 AMB 15-2:499 78 ASN HD2- 4.50 (# 499:15 Single Ambig)
&rst
ixpk= 499, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1251,1252,1167,1172,
igr2=1213,1214,
&end
#
# 78 ASN HB+ 78 ASN HD2- 4.50 (# 500:15 Unique 2.22, 3.15 A)
&rst
ixpk= 500, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1208,1209,
igr2=1213,1214,
&end
#
# 78 ASN HB- 78 ASN HD2- 3.50 (# 501:15 Unique 2.22, 3.15 A)
&rst
ixpk= 501, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1208,1209,
igr2=1213,1214,
&end
#
# 80 ALA MB 78 ASN HD2- 4.50 (# 502:15 Unique 2.05, 3.98 A)
&rst
ixpk= 502, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1236,1237,1238,
igr2=1213,1214,
&end
#
# 0 AMB 15-2:508 66 THR HN 4.50 (# 508:15 Single Ambig)
&rst
ixpk= 508, nxpk= 15, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1006,1051,
&end
#
# 70 LYS HN 66 THR HN 3.50 (# 509:15 Unique 2.87, 3.06 A)
&rst
ixpk= 509, nxpk= 15, iat=1070,1027, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 TYR HD 66 THR HN 4.50 (# 510:15 Unique 3.91, 5.09 A)
&rst
ixpk= 510, nxpk= 15, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1014,1023,
&end
#
# 65 TYR HA 66 THR HN 2.50 (# 511:15 Unique 2.32, 2.39 A)
&rst
ixpk= 511, nxpk= 15, iat=1008,1027, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 15-2:512 66 THR HN 3.50 (# 512:15 Single Ambig)
&rst
ixpk= 512, nxpk= 15, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1029,1031,1094,
&end
#
# 65 TYR HB+ 66 THR HN 3.50 (# 513:15 Unique 2.68, 3.35 A)
&rst
ixpk= 513, nxpk= 15, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1010,1011,
&end
#
# 65 TYR HB- 66 THR HN 3.50 (# 514:15 Unique 2.68, 3.35 A)
&rst
ixpk= 514, nxpk= 15, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1010,1011,
&end
#
# 66 THR MG2 66 THR HN 2.50 (# 515:15 Unique 2.34, 3.22 A)
&rst
ixpk= 515, nxpk= 15, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1033,1034,1035,
&end
#
# 67 ALA HN 68 ASP HN 3.50 (# 516:15 Unique 2.62, 2.66 A)
&rst
ixpk= 516, nxpk= 15, iat=1041,1051, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 ASP HA 68 ASP HN 3.50 (# 519:15 Unique 2.88, 2.89 A)
&rst
ixpk= 519, nxpk= 15, iat=1053,1051, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 THR HB 68 ASP HN 3.50 (# 520:15 Unique 2.57, 2.63 A)
&rst
ixpk= 520, nxpk= 15, iat=1031,1051, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:521 68 ASP HN 3.50 (# 521:15 Single Ambig)
&rst
ixpk= 521, nxpk= 15, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1043,1065,1066,
&end
#
# 68 ASP HB+ 68 ASP HN 3.50 (# 522:15 Unique 2.40, 2.54 A)
&rst
ixpk= 522, nxpk= 15, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1055,1056,
&end
#
# 68 ASP HB- 68 ASP HN 3.50 (# 523:15 Unique 2.40, 2.54 A)
&rst
ixpk= 523, nxpk= 15, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1055,1056,
&end
#
# 67 ALA MB 68 ASP HN 2.50 (# 524:15 Unique 2.58, 3.40 A)
&rst
ixpk= 524, nxpk= 15, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1045,1046,1047,
&end
#
# 66 THR MG2 68 ASP HN 4.50 (# 525:15 Unique 4.63, 5.00 A)
&rst
ixpk= 525, nxpk= 15, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1033,1034,1035,
&end
#
# 2 GLY HA- 2 GLY HN 4.50 (# 528:15 Unique 2.28, 2.78 A)
&rst
ixpk= 528, nxpk= 15, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 23, 24,
&end
#
# 34 ASP HN 35 GLU HN 4.50 (# 530:15 Unique 2.76, 2.90 A)
&rst
ixpk= 530, nxpk= 15, iat= 539, 551, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 ARG HN 35 GLU HN 3.50 (# 531:15 Unique 2.75, 2.90 A)
&rst
ixpk= 531, nxpk= 15, iat= 566, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 ASP HA 35 GLU HN 3.50 (# 532:15 Unique 2.56, 2.68 A)
&rst
ixpk= 532, nxpk= 15, iat= 541, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 GLU HA 35 GLU HN 2.50 (# 533:15 Unique 2.19, 2.23 A)
&rst
ixpk= 533, nxpk= 15, iat= 553, 551, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 15-2:534 35 GLU HN 4.50 (# 534:15 Single Ambig)
&rst
ixpk= 534, nxpk= 15, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 543, 544, 526, 527,
&end
#
# 0 AMB 15-2:535 35 GLU HN 3.50 (# 535:15 Single Ambig)
&rst
ixpk= 535, nxpk= 15, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 558, 559, 555, 556,
&end
#
# 0 AMB 15-2:536 35 GLU HN 3.50 (# 536:15 Single Ambig)
&rst
ixpk= 536, nxpk= 15, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 558, 559, 555, 556,
&end
#
# 0 AMB 15-2:537 35 GLU HN 3.50 (# 537:15 Single Ambig)
&rst
ixpk= 537, nxpk= 15, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 512, 513, 514, 516, 517, 518, 510,
&end
#
# 76 LEU HB- 77 GLY HN 4.50 (# 538:15 Unique 2.70, 3.29 A)
&rst
ixpk= 538, nxpk= 15, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1182,1183,
&end
#
# 0 AMB 15-2:539 77 GLY HN 4.50 (# 539:15 Single Ambig)
&rst
ixpk= 539, nxpk= 15, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1187,1188,1189,1191,1192,1193,1132,1133,1134,1136,
1137,1138,1113,1114,1115,1117,1118,1119,1113,1114,
1115,1117,1118,1119,
&end
#
# 76 LEU HN 77 GLY HN 2.50 (# 540:15 Unique 2.51, 2.53 A)
&rst
ixpk= 540, nxpk= 15, iat=1178,1197, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 78 ASN HN 77 GLY HN 3.50 (# 541:15 Unique 2.69, 2.76 A)
&rst
ixpk= 541, nxpk= 15, iat=1204,1197, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:542 77 GLY HN 5.50 (# 542:15 Single Ambig)
&rst
ixpk= 542, nxpk= 15, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1266,1271,1251,1252, 368, 373,
&end
#
# 77 GLY HA+ 77 GLY HN 3.50 (# 543:15 Unique 2.26, 2.55 A)
&rst
ixpk= 543, nxpk= 15, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1199,1200,
&end
#
# 74 GLU HA 77 GLY HN 3.50 (# 544:15 Unique 3.17, 3.36 A)
&rst
ixpk= 544, nxpk= 15, iat=1144,1197, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 GLY HA- 77 GLY HN 2.50 (# 545:15 Unique 2.26, 2.55 A)
&rst
ixpk= 545, nxpk= 15, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1199,1200,
&end
#
# 76 LEU HB+ 77 GLY HN 4.50 (# 546:15 Unique 2.70, 3.29 A)
&rst
ixpk= 546, nxpk= 15, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1182,1183,
&end
#
# 70 LYS HN 69 GLY HN 2.50 (# 550:15 Unique 2.05, 2.10 A)
&rst
ixpk= 550, nxpk= 15, iat=1070,1063, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 15-2:551 69 GLY HN 3.50 (# 551:15 Single Ambig)
&rst
ixpk= 551, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1053,1072,
&end
#
# 0 AMB 15-2:552 69 GLY HN 4.50 (# 552:15 Single Ambig)
&rst
ixpk= 552, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1031,1029,
&end
#
# 69 GLY HA+ 69 GLY HN 2.50 (# 553:15 Unique 2.43, 2.73 A)
&rst
ixpk= 553, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1065,1066,
&end
#
# 69 GLY HA- 69 GLY HN 3.50 (# 554:15 Unique 2.43, 2.73 A)
&rst
ixpk= 554, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1065,1066,
&end
#
# 65 TYR HB+ 69 GLY HN 4.50 (# 555:15 Unique 3.85, 4.60 A)
&rst
ixpk= 555, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1010,1011,
&end
#
# 0 AMB 15-2:556 69 GLY HN 4.50 (# 556:15 Single Ambig)
&rst
ixpk= 556, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1055,1056,1010,1011,
&end
#
# 68 ASP HB- 69 GLY HN 4.50 (# 557:15 Unique 2.67, 3.35 A)
&rst
ixpk= 557, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1055,1056,
&end
#
# 67 ALA MB 69 GLY HN 4.50 (# 558:15 Unique 4.98, 5.52 A)
&rst
ixpk= 558, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1045,1046,1047,
&end
#
# 41 PHE HN 40 ALA HN 3.50 (# 559:15 Unique 1.95, 2.25 A)
&rst
ixpk= 559, nxpk= 15, iat= 651, 641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:560 40 ALA HN 3.50 (# 560:15 Single Ambig)
&rst
ixpk= 560, nxpk= 15, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 645, 646, 647, 488, 489,
&end
#
# 57 ASN HN 58 GLY HN 3.50 (# 561:15 Unique 2.86, 2.95 A)
&rst
ixpk= 561, nxpk= 15, iat= 895, 909, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 MET HN 58 GLY HN 3.50 (# 562:15 Unique 2.45, 2.65 A)
&rst
ixpk= 562, nxpk= 15, iat= 916, 909, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 ASN HA 58 GLY HN 3.50 (# 563:15 Unique 2.78, 2.90 A)
&rst
ixpk= 563, nxpk= 15, iat= 897, 909, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 GLY HA+ 58 GLY HN 2.50 (# 564:15 Unique 2.29, 2.64 A)
&rst
ixpk= 564, nxpk= 15, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 911, 912,
&end
#
# 58 GLY HA- 58 GLY HN 3.50 (# 565:15 Unique 2.29, 2.64 A)
&rst
ixpk= 565, nxpk= 15, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 911, 912,
&end
#
# 55 ALA MB 58 GLY HN 3.50 (# 566:15 Unique 3.18, 4.21 A)
&rst
ixpk= 566, nxpk= 15, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 870, 871, 872,
&end
#
# 33 HIS HB+ 34 ASP HN 5.50 (# 567:15 Unique 3.04, 4.04 A)
&rst
ixpk= 567, nxpk= 15, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 526, 527,
&end
#
# 0 AMB 15-2:568 34 ASP HN 7.00 (# 568:15 Single Ambig)
&rst
ixpk= 568, nxpk= 15, iat= -1, 539, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23,
igr1= 512, 513, 514, 516, 517, 518, 512, 513, 514, 516,
517, 518, 510,
&end
#
# 85 SER HN 57 ASN HN 4.50 (# 570:15 Unique 2.73, 3.01 A)
&rst
ixpk= 570, nxpk= 15, iat=1307, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 ILE HN 57 ASN HN 5.50 (# 571:15 Unique 4.18, 4.23 A)
&rst
ixpk= 571, nxpk= 15, iat= 876, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 MET HN 57 ASN HN 5.50 (# 572:15 Unique 4.32, 4.46 A)
&rst
ixpk= 572, nxpk= 15, iat= 916, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ASN HD2+ 57 ASN HN 5.50 (# 573:15 Unique 3.51, 4.65 A)
&rst
ixpk= 573, nxpk= 15, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 904, 905,
&end
#
# 58 GLY HA+ 57 ASN HN 5.50 (# 574:15 Unique 5.17, 5.41 A)
&rst
ixpk= 574, nxpk= 15, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 911, 912,
&end
#
# 58 GLY HA- 57 ASN HN 5.50 (# 575:15 Unique 5.17, 5.41 A)
&rst
ixpk= 575, nxpk= 15, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 911, 912,
&end
#
# 57 ASN HB+ 57 ASN HN 4.50 (# 576:15 Unique 2.75, 3.57 A)
&rst
ixpk= 576, nxpk= 15, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 899, 900,
&end
#
# 57 ASN HB- 57 ASN HN 4.50 (# 577:15 Unique 2.75, 3.57 A)
&rst
ixpk= 577, nxpk= 15, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 899, 900,
&end
#
# 0 AMB 15-2:578 57 ASN HN 5.50 (# 578:15 Single Ambig)
&rst
ixpk= 578, nxpk= 15, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 886, 887, 870, 871, 872,
&end
#
# 56 ILE HB 57 ASN HN 4.50 (# 579:15 Unique 3.97, 4.09 A)
&rst
ixpk= 579, nxpk= 15, iat= 880, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 VAL HB 57 ASN HN 5.50 (# 580:15 Unique 2.88, 3.49 A)
&rst
ixpk= 580, nxpk= 15, iat=1295, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 GLU HN 72 VAL HN 5.50 (# 581:15 Unique 4.50, 4.54 A)
&rst
ixpk= 581, nxpk= 15, iat=1092,1107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 GLU HG+ 72 VAL HN 5.50 (# 582:15 Unique 2.74, 3.34 A)
&rst
ixpk= 582, nxpk= 15, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1099,1100,
&end
#
# 64 ARG HB- 72 VAL HN 5.50 (# 583:15 Unique 3.62, 4.82 A)
&rst
ixpk= 583, nxpk= 15, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 986, 987,
&end
#
# 67 ALA MB 60 ASP HN 5.50 (# 584:15 Unique 3.12, 4.58 A)
&rst
ixpk= 584, nxpk= 15, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1045,1046,1047,
&end
#
# 59 MET HB+ 60 ASP HN 5.50 (# 585:15 Unique 3.28, 4.02 A)
&rst
ixpk= 585, nxpk= 15, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 920, 921,
&end
#
# 12 TYR HE 13 ALA HN 5.50 (# 591:15 Unique 4.05, 5.67 A)
&rst
ixpk= 591, nxpk= 15, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 182, 187,
&end
#
# 22 PHE HD 86 ILE HN 5.50 (# 592:15 Unique 2.58, 5.13 A)
&rst
ixpk= 592, nxpk= 15, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 335, 343,
&end
#
# 21 THR HN 86 ILE HN 5.50 (# 593:15 Unique 4.85, 4.98 A)
&rst
ixpk= 593, nxpk= 15, iat= 313,1318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 PHE HD 86 ILE HN 5.50 (# 595:15 Unique 5.09, 7.32 A)
&rst
ixpk= 595, nxpk= 15, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1369,1377,
&end
#
# 0 AMB 15-2:598 86 ILE HN 5.50 (# 598:15 Single Ambig)
&rst
ixpk= 598, nxpk= 15, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 319, 320, 321, 870, 871, 872,
&end
#
# 86 ILE MG2 86 ILE HN 4.50 (# 600:15 Unique 4.44, 4.81 A)
&rst
ixpk= 600, nxpk= 15, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1324,1325,1326,
&end
#
# 31 LYS HN 30 LEU HN 5.50 (# 601:15 Unique 4.35, 4.42 A)
&rst
ixpk= 601, nxpk= 15, iat= 481, 462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 VAL HA 30 LEU HN 5.50 (# 602:15 Unique 4.84, 5.07 A)
&rst
ixpk= 602, nxpk= 15, iat= 627, 462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LEU HB+ 30 LEU HN 4.50 (# 603:15 Unique 2.41, 3.74 A)
&rst
ixpk= 603, nxpk= 15, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 447, 448,
&end
#
# 40 ALA MB 30 LEU HN 5.50 (# 604:15 Unique 3.39, 4.30 A)
&rst
ixpk= 604, nxpk= 15, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 645, 646, 647,
&end
#
# 0 AMB 15-2:605 22 PHE HN 4.50 (# 605:15 Single Ambig)
&rst
ixpk= 605, nxpk= 15, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 347,1307,
&end
#
# 22 PHE HD 22 PHE HN 5.50 (# 607:15 Unique 2.93, 4.24 A)
&rst
ixpk= 607, nxpk= 15, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 335, 343,
&end
#
# 22 PHE HE 22 PHE HN 7.00 (# 608:15 Unique 5.16, 6.13 A)
&rst
ixpk= 608, nxpk= 15, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 337, 341,
&end
#
# 85 SER HA 22 PHE HN 5.50 (# 609:15 Unique 3.23, 3.38 A)
&rst
ixpk= 609, nxpk= 15, iat=1309, 327, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 THR HB 22 PHE HN 5.50 (# 610:15 Unique 2.73, 3.14 A)
&rst
ixpk= 610, nxpk= 15, iat= 317, 327, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 PHE HB+ 22 PHE HN 5.50 (# 611:15 Unique 2.51, 3.28 A)
&rst
ixpk= 611, nxpk= 15, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 331, 332,
&end
#
# 22 PHE HB- 22 PHE HN 4.50 (# 612:15 Unique 2.51, 3.28 A)
&rst
ixpk= 612, nxpk= 15, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 331, 332,
&end
#
# 84 VAL MGY 22 PHE HN 5.50 (# 613:15 Unique 2.96, 5.53 A)
&rst
ixpk= 613, nxpk= 15, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1297,1298,1299,1301,1302,1303,
&end
#
# 32 LEU HN 33 HIS HN 4.50 (# 615:15 Unique 4.32, 4.46 A)
&rst
ixpk= 615, nxpk= 15, iat= 503, 522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:618 16 ALA HN 7.00 (# 618:15 Single Ambig)
&rst
ixpk= 618, nxpk= 15, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1398,1399, 227, 228,
&end
#
# 68 ASP HN 67 ALA HN 4.50 (# 621:15 Unique 2.62, 2.66 A)
&rst
ixpk= 621, nxpk= 15, iat=1051,1041, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 TYR HE 64 ARG HN 7.00 (# 624:15 Unique 3.67, 5.64 A)
&rst
ixpk= 624, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1016,1021,
&end
#
# 64 ARG HA 64 ARG HN 3.50 (# 626:15 Unique 2.90, 2.95 A)
&rst
ixpk= 626, nxpk= 15, iat= 984, 982, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 GLY HA+ 64 ARG HN 3.50 (# 627:15 Unique 2.20, 2.98 A)
&rst
ixpk= 627, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 977, 978,
&end
#
# 92 ARG HD- 93 LEU HN 5.50 (# 628:15 Unique 3.74, 5.37 A)
&rst
ixpk= 628, nxpk= 15, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1436,1437,
&end
#
# 35 GLU HB+ 64 ARG HN 7.00 (# 629:15 Unique 3.87, 5.89 A)
&rst
ixpk= 629, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 555, 556,
&end
#
# 74 GLU HN 71 GLU HN 5.50 (# 631:15 Unique 4.48, 4.71 A)
&rst
ixpk= 631, nxpk= 15, iat=1142,1092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 TYR HD 71 GLU HN 4.50 (# 632:15 Unique 3.32, 5.76 A)
&rst
ixpk= 632, nxpk= 15, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1014,1023,
&end
#
# 65 TYR HE 71 GLU HN 5.50 (# 633:15 Unique 3.74, 6.63 A)
&rst
ixpk= 633, nxpk= 15, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1016,1021,
&end
#
# 70 LYS HN 71 GLU HN 5.50 (# 634:15 Unique 4.63, 4.67 A)
&rst
ixpk= 634, nxpk= 15, iat=1070,1092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 TYR HA 71 GLU HN 5.50 (# 635:15 Unique 4.57, 4.63 A)
&rst
ixpk= 635, nxpk= 15, iat=1008,1092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 TYR HB- 71 GLU HN 5.50 (# 636:15 Unique 4.23, 5.18 A)
&rst
ixpk= 636, nxpk= 15, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1161,1162,
&end
#
# 0 AMB 15-2:640 75 TYR HN 4.50 (# 640:15 Single Ambig)
&rst
ixpk= 640, nxpk= 15, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1197,1251,1252,
&end
#
# 0 AMB 15-2:641 75 TYR HN 7.00 (# 641:15 Single Ambig)
&rst
ixpk= 641, nxpk= 15, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1251,1252,1167,1172,
&end
#
# 73 LEU HN 75 TYR HN 5.50 (# 642:15 Unique 3.87, 4.06 A)
&rst
ixpk= 642, nxpk= 15, iat=1123,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 VAL HN 75 TYR HN 5.50 (# 643:15 Unique 4.65, 4.69 A)
&rst
ixpk= 643, nxpk= 15, iat=1107,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 LEU HA 75 TYR HN 5.50 (# 644:15 Unique 5.43, 5.47 A)
&rst
ixpk= 644, nxpk= 15, iat=1180,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 GLU HG+ 75 TYR HN 5.50 (# 645:15 Unique 3.85, 4.45 A)
&rst
ixpk= 645, nxpk= 15, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1149,1150,
&end
#
# 73 LEU HB- 75 TYR HN 5.50 (# 646:15 Unique 4.94, 5.39 A)
&rst
ixpk= 646, nxpk= 15, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1127,1128,
&end
#
# 17 GLU QG 90 ARG HN 5.50 (# 648:15 Unique 3.45, 4.58 A)
&rst
ixpk= 648, nxpk= 15, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 258, 259,
&end
#
# 16 ALA MB 90 ARG HN 5.50 (# 649:15 Unique 3.07, 5.25 A)
&rst
ixpk= 649, nxpk= 15, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 245, 246, 247,
&end
#
# 51 HIS HD2 90 ARG HN 5.50 (# 654:15 Unique 2.93, 3.75 A)
&rst
ixpk= 654, nxpk= 15, iat= 817,1388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:663 37 VAL HN 4.50 (# 663:15 Single Ambig)
&rst
ixpk= 663, nxpk= 15, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 570, 571, 986, 987,
&end
#
# 37 VAL HB 37 VAL HN 4.50 (# 664:15 Unique 2.40, 3.02 A)
&rst
ixpk= 664, nxpk= 15, iat= 594, 590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 TYR HE 12 TYR HN 7.00 (# 666:15 Unique 3.80, 5.37 A)
&rst
ixpk= 666, nxpk= 15, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 182, 187,
&end
#
# 85 SER HB- 85 SER HN 4.50 (# 672:15 Unique 2.47, 3.15 A)
&rst
ixpk= 672, nxpk= 15, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1311,1312,
&end
#
# 89 GLY HN 52 ALA HN 4.50 (# 673:15 Unique 2.51, 2.91 A)
&rst
ixpk= 673, nxpk= 15, iat=1381, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 HIS HN 52 ALA HN 5.50 (# 674:15 Unique 4.45, 4.61 A)
&rst
ixpk= 674, nxpk= 15, iat= 804, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 PHE HD 52 ALA HN 5.50 (# 675:15 Unique 3.71, 6.16 A)
&rst
ixpk= 675, nxpk= 15, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1369,1377,
&end
#
# 51 HIS HD2 52 ALA HN 5.50 (# 676:15 Unique 3.54, 3.92 A)
&rst
ixpk= 676, nxpk= 15, iat= 817, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 PHE HA 52 ALA HN 5.50 (# 677:15 Unique 4.44, 4.85 A)
&rst
ixpk= 677, nxpk= 15, iat=1363, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ALA HA 52 ALA HN 4.50 (# 678:15 Unique 2.95, 2.97 A)
&rst
ixpk= 678, nxpk= 15, iat= 823, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 HIS HB+ 52 ALA HN 4.50 (# 679:15 Unique 2.15, 3.29 A)
&rst
ixpk= 679, nxpk= 15, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 808, 809,
&end
#
# 0 AMB 15-2:684 52 ALA HN 4.50 (# 684:15 Single Ambig)
&rst
ixpk= 684, nxpk= 15, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 856, 857, 858, 860, 861, 862, 631, 632, 633, 635,
636, 637,
&end
#
# 0 AMB 15-2:685 85 SER HN 4.50 (# 685:15 Single Ambig)
&rst
ixpk= 685, nxpk= 15, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1297,1298,1299,1301,1302,1303,1331,1332,1333,
&end
#
# 6 HIS HB- 7 HIS HN 5.50 (# 688:15 Unique 2.23, 3.60 A)
&rst
ixpk= 688, nxpk= 15, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 83, 84,
&end
#
# 24 TYR HA 24 TYR HN 4.50 (# 689:15 Unique 2.90, 2.95 A)
&rst
ixpk= 689, nxpk= 15, iat= 360, 358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 TYR HB- 24 TYR HN 5.50 (# 690:15 Unique 2.01, 3.54 A)
&rst
ixpk= 690, nxpk= 15, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1260,1261,
&end
#
# 52 ALA HN 51 HIS HN 5.50 (# 691:15 Unique 4.45, 4.61 A)
&rst
ixpk= 691, nxpk= 15, iat= 821, 804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASP HN 59 MET HN 5.50 (# 693:15 Unique 4.23, 4.29 A)
&rst
ixpk= 693, nxpk= 15, iat= 933, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 PHE HD 51 HIS HN 7.00 (# 694:15 Unique 4.78, 7.01 A)
&rst
ixpk= 694, nxpk= 15, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1369,1377,
&end
#
# 51 HIS HD2 51 HIS HN 5.50 (# 695:15 Unique 4.30, 5.01 A)
&rst
ixpk= 695, nxpk= 15, iat= 817, 804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 VAL HA 51 HIS HN 5.50 (# 696:15 Unique 4.97, 5.44 A)
&rst
ixpk= 696, nxpk= 15, iat= 627, 804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LEU HG 51 HIS HN 7.00 (# 697:15 Unique 3.72, 6.10 A)
&rst
ixpk= 697, nxpk= 15, iat= 613, 804, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 15-2:698 51 HIS HN 5.50 (# 698:15 Single Ambig)
&rst
ixpk= 698, nxpk= 15, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 610, 611, 825, 826, 827,
&end
#
# 90 ARG HN 17 GLU HN 5.50 (# 699:15 Unique 2.94, 4.68 A)
&rst
ixpk= 699, nxpk= 15, iat=1388, 251, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 TYR HE 65 TYR HN 5.50 (# 703:15 Unique 4.82, 5.59 A)
&rst
ixpk= 703, nxpk= 15, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1016,1021,
&end
#
# 66 THR HN 65 TYR HN 4.50 (# 704:15 Unique 4.46, 4.51 A)
&rst
ixpk= 704, nxpk= 15, iat=1027,1006, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 TYR HA 70 LYS HN 5.50 (# 706:15 Unique 4.78, 4.89 A)
&rst
ixpk= 706, nxpk= 15, iat=1008,1070, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 TYR HD 70 LYS HN 5.50 (# 707:15 Unique 4.54, 6.56 A)
&rst
ixpk= 707, nxpk= 15, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1014,1023,
&end
#
# 0 AMB 15-2:708 70 LYS HN 4.50 (# 708:15 Single Ambig)
&rst
ixpk= 708, nxpk= 15, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1010,1011,1161,1162,
&end
#
# 75 TYR HN 74 GLU HN 5.50 (# 709:15 Unique 2.40, 2.50 A)
&rst
ixpk= 709, nxpk= 15, iat=1157,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 LEU HN 74 GLU HN 5.50 (# 710:15 Unique 2.35, 2.69 A)
&rst
ixpk= 710, nxpk= 15, iat=1123,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 ILE MG2 55 ALA HN 4.50 (# 711:15 Unique 3.78, 4.59 A)
&rst
ixpk= 711, nxpk= 15, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1324,1325,1326,
&end
#
# 74 GLU HA 74 GLU HN 4.50 (# 712:15 Unique 2.84, 2.91 A)
&rst
ixpk= 712, nxpk= 15, iat=1144,1142, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 LEU HN 78 ASN HN 5.50 (# 714:15 Unique 4.07, 4.21 A)
&rst
ixpk= 714, nxpk= 15, iat=1178,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ALA HN 31 LYS HN 4.50 (# 715:15 Unique 3.40, 3.76 A)
&rst
ixpk= 715, nxpk= 15, iat= 641, 481, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 VAL HA 31 LYS HN 5.50 (# 717:15 Unique 3.85, 4.12 A)
&rst
ixpk= 717, nxpk= 15, iat= 627, 481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 VAL HA 31 LYS HN 5.50 (# 718:15 Unique 3.92, 4.13 A)
&rst
ixpk= 718, nxpk= 15, iat= 592, 481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 PRO HD- 78 ASN HN 5.50 (# 720:15 Unique 4.61, 4.87 A)
&rst
ixpk= 720, nxpk= 15, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1219,1220,
&end
#
# 0 AMB 15-2:721 78 ASN HN 5.50 (# 721:15 Single Ambig)
&rst
ixpk= 721, nxpk= 15, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1246,1247,1149,1150,1146,1147,
&end
#
# 76 LEU MDX 78 ASN HN 5.50 (# 722:15 Unique 5.71, 7.51 A)
&rst
ixpk= 722, nxpk= 15, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1187,1188,1189,1191,1192,1193,
&end
#
# 76 LEU MDY 78 ASN HN 5.50 (# 723:15 Unique 5.71, 7.51 A)
&rst
ixpk= 723, nxpk= 15, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1187,1188,1189,1191,1192,1193,
&end
#
# 0 AMB 15-2:724 78 ASN HN 5.50 (# 724:15 Single Ambig)
&rst
ixpk= 724, nxpk= 15, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1182,1183,1222,1223,
&end
#
# 0 AMB 15-2:725 78 ASN HN 7.00 (# 725:15 Single Ambig)
&rst
ixpk= 725, nxpk= 15, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1182,1183,1074,1075,
&end
#
# 81 ASN HD2- 80 ALA HN 7.00 (# 727:15 Unique 4.03, 6.61 A)
&rst
ixpk= 727, nxpk= 15, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1251,1252,
&end
#
# 78 ASN HB+ 80 ALA HN 5.50 (# 728:15 Unique 3.95, 4.49 A)
&rst
ixpk= 728, nxpk= 15, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1208,1209,
&end
#
# 78 ASN HB- 80 ALA HN 5.50 (# 729:15 Unique 3.95, 4.49 A)
&rst
ixpk= 729, nxpk= 15, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1208,1209,
&end
#
# 81 ASN HB- 80 ALA HN 7.00 (# 730:15 Unique 4.51, 5.12 A)
&rst
ixpk= 730, nxpk= 15, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1246,1247,
&end
#
# 57 ASN HN 56 ILE HN 5.50 (# 731:15 Unique 4.18, 4.23 A)
&rst
ixpk= 731, nxpk= 15, iat= 895, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 GLY HN 56 ILE HN 5.50 (# 732:15 Unique 3.35, 3.61 A)
&rst
ixpk= 732, nxpk= 15, iat= 909, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASP HN 56 ILE HN 5.50 (# 733:15 Unique 4.76, 4.86 A)
&rst
ixpk= 733, nxpk= 15, iat= 933, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:734 56 ILE HN 4.50 (# 734:15 Single Ambig)
&rst
ixpk= 734, nxpk= 15, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 945, 904, 905,
&end
#
# 61 VAL HA 56 ILE HN 7.00 (# 736:15 Unique 5.08, 5.25 A)
&rst
ixpk= 736, nxpk= 15, iat= 947, 876, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 59 MET HG+ 56 ILE HN 5.50 (# 737:15 Unique 3.02, 5.37 A)
&rst
ixpk= 737, nxpk= 15, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 923, 924,
&end
#
# 59 MET HB+ 56 ILE HN 5.50 (# 738:15 Unique 3.16, 4.04 A)
&rst
ixpk= 738, nxpk= 15, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 920, 921,
&end
#
# 59 MET HB- 56 ILE HN 4.50 (# 739:15 Unique 3.16, 4.04 A)
&rst
ixpk= 739, nxpk= 15, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 920, 921,
&end
#
# 58 GLY HA- 56 ILE HN 7.00 (# 741:15 Unique 4.76, 5.36 A)
&rst
ixpk= 741, nxpk= 15, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 911, 912,
&end
#
# 57 ASN HB+ 56 ILE HN 7.00 (# 742:15 Unique 5.05, 6.08 A)
&rst
ixpk= 742, nxpk= 15, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 899, 900,
&end
#
# 24 TYR HN 82 TYR HN 7.00 (# 743:15 Unique 5.35, 6.06 A)
&rst
ixpk= 743, nxpk= 15, iat= 358,1256, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 81 ASN HB+ 82 TYR HN 4.50 (# 745:15 Unique 3.90, 4.39 A)
&rst
ixpk= 745, nxpk= 15, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1246,1247,
&end
#
# 80 ALA MB 82 TYR HN 5.50 (# 747:15 Unique 5.29, 5.68 A)
&rst
ixpk= 747, nxpk= 15, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1236,1237,1238,
&end
#
# 84 VAL MGY 82 TYR HN 7.00 (# 748:15 Unique 4.41, 6.40 A)
&rst
ixpk= 748, nxpk= 15, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1297,1298,1299,1301,1302,1303,
&end
#
# 75 TYR HN 73 LEU HN 5.50 (# 757:15 Unique 3.87, 4.06 A)
&rst
ixpk= 757, nxpk= 15, iat=1157,1123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 GLU HA 73 LEU HN 5.50 (# 759:15 Unique 4.13, 4.25 A)
&rst
ixpk= 759, nxpk= 15, iat=1094,1123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:760 73 LEU HN 7.00 (# 760:15 Single Ambig)
&rst
ixpk= 760, nxpk= 15, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 984,1144,
&end
#
# 72 VAL HA 73 LEU HN 5.50 (# 761:15 Unique 3.56, 3.60 A)
&rst
ixpk= 761, nxpk= 15, iat=1109,1123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 PHE HD 41 PHE HN 5.50 (# 763:15 Unique 3.44, 4.95 A)
&rst
ixpk= 763, nxpk= 15, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 659, 667,
&end
#
# 62 ASN HN 61 VAL HN 5.50 (# 764:15 Unique 4.46, 4.56 A)
&rst
ixpk= 764, nxpk= 15, iat= 961, 945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 ILE HN 61 VAL HN 4.50 (# 765:15 Unique 4.17, 4.42 A)
&rst
ixpk= 765, nxpk= 15, iat= 876, 945, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 ASN HA 61 VAL HN 7.00 (# 766:15 Unique 5.22, 5.45 A)
&rst
ixpk= 766, nxpk= 15, iat= 963, 945, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 30 LEU HA 41 PHE HN 4.50 (# 767:15 Unique 3.79, 4.00 A)
&rst
ixpk= 767, nxpk= 15, iat= 464, 651, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 VAL HB 41 PHE HN 5.50 (# 768:15 Unique 4.91, 5.17 A)
&rst
ixpk= 768, nxpk= 15, iat= 629, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:769 41 PHE HN 5.50 (# 769:15 Single Ambig)
&rst
ixpk= 769, nxpk= 15, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 673, 674, 783,
&end
#
# 55 ALA MB 61 VAL HN 4.50 (# 770:15 Unique 3.70, 4.48 A)
&rst
ixpk= 770, nxpk= 15, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 870, 871, 872,
&end
#
# 61 VAL HB 61 VAL HN 4.50 (# 771:15 Unique 3.67, 3.72 A)
&rst
ixpk= 771, nxpk= 15, iat= 949, 945, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:772 61 VAL HN 4.50 (# 772:15 Single Ambig)
&rst
ixpk= 772, nxpk= 15, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 937, 938, 923, 924,
&end
#
# 0 AMB 15-2:773 81 ASN HD2- 4.50 (# 773:15 Single Ambig)
&rst
ixpk= 773, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1213,1214,1204,
igr2=1251,1252,
&end
#
# 75 TYR HD 81 ASN HD2- 4.50 (# 774:15 Unique 2.97, 4.10 A)
&rst
ixpk= 774, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1165,1174,
igr2=1251,1252,
&end
#
# 78 ASN HB- 81 ASN HD2- 4.50 (# 775:15 Unique 2.35, 4.57 A)
&rst
ixpk= 775, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1208,1209,
igr2=1251,1252,
&end
#
# 0 AMB 15-2:776 81 ASN HD2- 7.00 (# 776:15 Single Ambig)
&rst
ixpk= 776, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1161,1162,1083,1084,
igr2=1251,1252,
&end
#
# 34 ASP HN 36 ARG HN 5.50 (# 782:15 Unique 4.23, 4.35 A)
&rst
ixpk= 782, nxpk= 15, iat= 539, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 LEU HA 36 ARG HN 5.50 (# 784:15 Unique 4.23, 4.42 A)
&rst
ixpk= 784, nxpk= 15, iat= 505, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:785 36 ARG HN 5.50 (# 785:15 Single Ambig)
&rst
ixpk= 785, nxpk= 15, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 541, 984,
&end
#
# 36 ARG HD- 36 ARG HN 4.50 (# 786:15 Unique 3.10, 4.60 A)
&rst
ixpk= 786, nxpk= 15, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 576, 577,
&end
#
# 0 AMB 15-2:787 36 ARG HN 4.50 (# 787:15 Single Ambig)
&rst
ixpk= 787, nxpk= 15, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 543, 544, 526, 527,
&end
#
# 0 AMB 15-2:791 36 ARG HN 4.50 (# 791:15 Single Ambig)
&rst
ixpk= 791, nxpk= 15, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 555, 556, 558, 559,
&end
#
# 33 HIS HA 36 ARG HN 5.50 (# 792:15 Unique 4.34, 4.50 A)
&rst
ixpk= 792, nxpk= 15, iat= 524, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 SER QB 23 SER HN 4.50 (# 793:15 Unique 2.76, 3.45 A)
&rst
ixpk= 793, nxpk= 15, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 351, 352,
&end
#
# 49 VAL HB 50 GLY HN 4.50 (# 794:15 Unique 2.10, 2.94 A)
&rst
ixpk= 794, nxpk= 15, iat= 785, 797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 SER HN 57 ASN HD2- 5.50 (# 797:15 Unique 3.94, 5.21 A)
&rst
ixpk= 797, nxpk= 15, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 904, 905,
&end
#
# 85 SER HN 57 ASN HD2+ 5.50 (# 798:15 Unique 3.94, 5.21 A)
&rst
ixpk= 798, nxpk= 15, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 904, 905,
&end
#
# 75 TYR HD 57 ASN HD2- 5.50 (# 799:15 Unique 4.89, 6.00 A)
&rst
ixpk= 799, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1165,1174,
igr2= 904, 905,
&end
#
# 75 TYR HD 57 ASN HD2+ 4.50 (# 800:15 Unique 4.89, 6.00 A)
&rst
ixpk= 800, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1165,1174,
igr2= 904, 905,
&end
#
# 0 AMB 15-2:801 57 ASN HD2- 5.50 (# 801:15 Single Ambig)
&rst
ixpk= 801, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1167,1172,1251,1252,
igr2= 904, 905,
&end
#
# 0 AMB 15-2:802 0 AMB 15-1:802 5.50 (# 802:15 Double Ambig)
&rst
ixpk= 802, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1167,1172,1251,1252,
igr2= 904, 905, 904, 905,
&end
#
# 84 VAL HA 57 ASN HD2- 5.50 (# 803:15 Unique 3.26, 4.98 A)
&rst
ixpk= 803, nxpk= 15, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 904, 905,
&end
#
# 57 ASN HA 57 ASN HD2+ 5.50 (# 805:15 Unique 3.90, 4.69 A)
&rst
ixpk= 805, nxpk= 15, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 904, 905,
&end
#
# 57 ASN HA 57 ASN HD2- 4.50 (# 806:15 Unique 3.90, 4.69 A)
&rst
ixpk= 806, nxpk= 15, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 904, 905,
&end
#
# 0 AMB 15-2:807 0 AMB 15-1:807 5.50 (# 807:15 Double Ambig)
&rst
ixpk= 807, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1295, 920, 921,
igr2= 904, 905, 904, 905,
&end
#
# 0 AMB 15-2:808 57 ASN HD2- 5.50 (# 808:15 Single Ambig)
&rst
ixpk= 808, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1295, 920, 921,
igr2= 904, 905,
&end
#
# 84 VAL MGX 57 ASN HD2- 3.50 (# 809:15 Unique 1.84, 5.12 A)
&rst
ixpk= 809, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1297,1298,1299,1301,1302,1303,
igr2= 904, 905,
&end
#
# 65 TYR HN 63 GLY HN 5.50 (# 810:15 Unique 4.21, 4.29 A)
&rst
ixpk= 810, nxpk= 15, iat=1006, 975, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:811 63 GLY HN 7.00 (# 811:15 Single Ambig)
&rst
ixpk= 811, nxpk= 15, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 945, 970, 971,
&end
#
# 62 ASN HD2- 63 GLY HN 7.00 (# 814:15 Unique 5.70, 6.27 A)
&rst
ixpk= 814, nxpk= 15, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 970, 971,
&end
#
# 36 ARG HA 63 GLY HN 5.50 (# 816:15 Unique 4.57, 5.26 A)
&rst
ixpk= 816, nxpk= 15, iat= 568, 975, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 ARG HD- 63 GLY HN 5.50 (# 819:15 Unique 3.51, 5.21 A)
&rst
ixpk= 819, nxpk= 15, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 576, 577,
&end
#
# 0 AMB 15-2:820 63 GLY HN 5.50 (# 820:15 Single Ambig)
&rst
ixpk= 820, nxpk= 15, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 949, 570, 571,
&end
#
# 0 AMB 15-2:821 63 GLY HN 7.00 (# 821:15 Single Ambig)
&rst
ixpk= 821, nxpk= 15, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 570, 571, 986, 987,
&end
#
# 0 AMB 15-2:826 81 ASN HN 5.50 (# 826:15 Single Ambig)
&rst
ixpk= 826, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1213,1214,1204,
&end
#
# 78 ASN HN 76 LEU HN 5.50 (# 827:15 Unique 4.07, 4.21 A)
&rst
ixpk= 827, nxpk= 15, iat=1204,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:828 76 LEU HN 5.50 (# 828:15 Single Ambig)
&rst
ixpk= 828, nxpk= 15, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1251,1252, 368, 373,1167,1172,
&end
#
# 78 ASN HA 81 ASN HN 5.50 (# 830:15 Unique 4.71, 4.81 A)
&rst
ixpk= 830, nxpk= 15, iat=1206,1242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ASN HB+ 81 ASN HN 4.50 (# 831:15 Unique 3.60, 4.44 A)
&rst
ixpk= 831, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1208,1209,
&end
#
# 82 TYR HB- 81 ASN HN 7.00 (# 832:15 Unique 4.26, 5.09 A)
&rst
ixpk= 832, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1260,1261,
&end
#
# 78 ASN HB- 81 ASN HN 4.50 (# 833:15 Unique 3.60, 4.44 A)
&rst
ixpk= 833, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1208,1209,
&end
#
# 79 PRO HG+ 81 ASN HN 7.00 (# 835:15 Unique 5.09, 5.73 A)
&rst
ixpk= 835, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1222,1223,
&end
#
# 84 VAL MGY 81 ASN HN 7.00 (# 836:15 Unique 5.25, 7.24 A)
&rst
ixpk= 836, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1297,1298,1299,1301,1302,1303,
&end
#
# 79 PRO HB+ 81 ASN HN 5.50 (# 838:15 Unique 4.95, 5.15 A)
&rst
ixpk= 838, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1225,1226,
&end
#
# 0 AMB 15-2:839 76 LEU HN 7.00 (# 839:15 Single Ambig)
&rst
ixpk= 839, nxpk= 15, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1127,1128, 880,
&end
#
# 0 AMB 15-2:842 64 ARG HE 7.00 (# 842:15 Single Ambig)
&rst
ixpk= 842, nxpk= 15, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 982, 551,
&end
#
# 64 ARG HA 64 ARG HE 7.00 (# 850:15 Unique 4.39, 5.48 A)
&rst
ixpk= 850, nxpk= 15, iat= 984, 995, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 35 GLU HA 64 ARG HE 5.50 (# 851:15 Unique 3.01, 4.67 A)
&rst
ixpk= 851, nxpk= 15, iat= 553, 995, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 GLU HG+ 64 ARG HE 5.50 (# 852:15 Unique 2.80, 5.18 A)
&rst
ixpk= 852, nxpk= 15, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1099,1100,
&end
#
# 0 AMB 15-2:853 64 ARG HE 5.50 (# 853:15 Single Ambig)
&rst
ixpk= 853, nxpk= 15, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 555, 556,1096,1097, 558, 559,
&end
#
# 0 AMB 15-2:854 64 ARG HE 5.50 (# 854:15 Single Ambig)
&rst
ixpk= 854, nxpk= 15, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1099,1100,1096,1097,
&end
#
# 62 ASN HA 62 ASN HD2+ 5.50 (# 856:15 Unique 4.53, 4.68 A)
&rst
ixpk= 856, nxpk= 15, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 970, 971,
&end
#
# 62 ASN HA 62 ASN HD2- 5.50 (# 857:15 Unique 4.53, 4.68 A)
&rst
ixpk= 857, nxpk= 15, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 970, 971,
&end
#
# 0 AMB 15-2:858 62 ASN HD2- 5.50 (# 858:15 Single Ambig)
&rst
ixpk= 858, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1065,1066,1043,
igr2= 970, 971,
&end
#
# 66 THR HA 62 ASN HD2+ 7.00 (# 859:15 Unique 6.71, 7.71 A)
&rst
ixpk= 859, nxpk= 15, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 970, 971,
&end
#
# 66 THR HA 62 ASN HD2- 7.00 (# 860:15 Unique 6.71, 7.71 A)
&rst
ixpk= 860, nxpk= 15, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 970, 971,
&end
#
# 65 TYR HB+ 62 ASN HD2+ 5.50 (# 862:15 Unique 2.76, 4.51 A)
&rst
ixpk= 862, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1010,1011,
igr2= 970, 971,
&end
#
# 62 ASN HN 62 ASN HD2+ 5.50 (# 867:15 Unique 4.68, 5.29 A)
&rst
ixpk= 867, nxpk= 15, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 970, 971,
&end
#
# 63 GLY HN 62 ASN HD2+ 7.00 (# 868:15 Unique 5.70, 6.27 A)
&rst
ixpk= 868, nxpk= 15, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 970, 971,
&end
#
# 43 GLN QB 43 GLN HE2- 5.50 (# 869:15 Unique 2.36, 4.17 A)
&rst
ixpk= 869, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 682, 683,
igr2= 690, 691,
&end
#
# 0 AMB 15-2:870 43 GLN HE2- 5.50 (# 870:15 Single Ambig)
&rst
ixpk= 870, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
792, 793,
igr2= 690, 691,
&end
#
# 0 AMB 15-2:871 0 AMB 15-1:871 5.50 (# 871:15 Double Ambig)
&rst
ixpk= 871, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 787, 788, 789, 791, 792, 793, 787, 788, 789, 791,
792, 793,
igr2= 690, 691, 690, 691,
&end
#
# 66 THR HN 68 ASP HN 5.50 (# 877:15 Unique 4.79, 4.83 A)
&rst
ixpk= 877, nxpk= 15, iat=1027,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 GLY HA- 68 ASP HN 5.50 (# 878:15 Unique 4.77, 5.04 A)
&rst
ixpk= 878, nxpk= 15, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1065,1066,
&end
#
# 59 MET HB- 68 ASP HN 5.50 (# 880:15 Unique 3.39, 4.62 A)
&rst
ixpk= 880, nxpk= 15, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 920, 921,
&end
#
# 0 AMB 15-2:885 66 THR HN 4.50 (# 885:15 Single Ambig)
&rst
ixpk= 885, nxpk= 15, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1107, 961,
&end
#
# 0 AMB 15-2:887 66 THR HN 5.50 (# 887:15 Single Ambig)
&rst
ixpk= 887, nxpk= 15, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1165,1174,1016,1021,
&end
#
# 70 LYS HA 66 THR HN 5.50 (# 889:15 Unique 4.50, 4.56 A)
&rst
ixpk= 889, nxpk= 15, iat=1072,1027, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 VAL HA 66 THR HN 5.50 (# 891:15 Unique 4.98, 5.12 A)
&rst
ixpk= 891, nxpk= 15, iat= 947,1027, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 GLY HA- 66 THR HN 5.50 (# 892:15 Unique 3.55, 4.28 A)
&rst
ixpk= 892, nxpk= 15, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1065,1066,
&end
#
# 72 VAL HA 66 THR HN 7.00 (# 893:15 Unique 4.39, 4.53 A)
&rst
ixpk= 893, nxpk= 15, iat=1109,1027, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 15-2:895 66 THR HN 4.50 (# 895:15 Single Ambig)
&rst
ixpk= 895, nxpk= 15, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1074,1075, 949,
&end
#
# 0 AMB 15-2:896 66 THR HN 5.50 (# 896:15 Single Ambig)
&rst
ixpk= 896, nxpk= 15, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1077,1078, 880,
&end
#
# 33 HIS HN 35 GLU HN 5.50 (# 902:15 Unique 3.96, 4.18 A)
&rst
ixpk= 902, nxpk= 15, iat= 522, 551, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 HIS HA 35 GLU HN 5.50 (# 903:15 Unique 3.57, 3.79 A)
&rst
ixpk= 903, nxpk= 15, iat= 524, 551, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 ARG HA 35 GLU HN 7.00 (# 905:15 Unique 5.45, 5.50 A)
&rst
ixpk= 905, nxpk= 15, iat= 568, 551, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 36 ARG HB+ 35 GLU HN 7.00 (# 906:15 Unique 4.98, 5.90 A)
&rst
ixpk= 906, nxpk= 15, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 570, 571,
&end
#
# 0 AMB 15-2:907 35 GLU HN 7.00 (# 907:15 Single Ambig)
&rst
ixpk= 907, nxpk= 15, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 986, 987, 570, 571, 507, 508,
&end
#
# 0 AMB 15-2:909 77 GLY HN 4.50 (# 909:15 Single Ambig)
&rst
ixpk= 909, nxpk= 15, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1187,1188,1189,1191,1192,1193,1132,1133,1134,1136,
1137,1138,
&end
#
# 78 ASN HB- 77 GLY HN 7.00 (# 910:15 Unique 4.82, 4.99 A)
&rst
ixpk= 910, nxpk= 15, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1208,1209,
&end
#
# 75 TYR HB- 77 GLY HN 5.50 (# 911:15 Unique 4.66, 5.22 A)
&rst
ixpk= 911, nxpk= 15, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1161,1162,
&end
#
# 0 AMB 15-2:912 77 GLY HN 5.50 (# 912:15 Single Ambig)
&rst
ixpk= 912, nxpk= 15, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1146,1147,1149,1150,
&end
#
# 0 AMB 15-2:913 77 GLY HN 4.50 (# 913:15 Single Ambig)
&rst
ixpk= 913, nxpk= 15, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1208,1209,1109,
&end
#
# 78 ASN HA 77 GLY HN 7.00 (# 914:15 Unique 5.25, 5.35 A)
&rst
ixpk= 914, nxpk= 15, iat=1206,1197, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 66 THR HN 69 GLY HN 4.50 (# 919:15 Unique 3.19, 3.23 A)
&rst
ixpk= 919, nxpk= 15, iat=1027,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ALA HN 69 GLY HN 5.50 (# 920:15 Unique 4.07, 4.09 A)
&rst
ixpk= 920, nxpk= 15, iat=1041,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 TYR HD 69 GLY HN 7.00 (# 921:15 Unique 5.40, 6.67 A)
&rst
ixpk= 921, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1014,1023,
&end
#
# 65 TYR HA 69 GLY HN 5.50 (# 923:15 Unique 5.09, 5.24 A)
&rst
ixpk= 923, nxpk= 15, iat=1008,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 THR MG2 69 GLY HN 4.50 (# 925:15 Unique 4.42, 4.80 A)
&rst
ixpk= 925, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1033,1034,1035,
&end
#
# 0 AMB 15-2:926 69 GLY HN 7.00 (# 926:15 Single Ambig)
&rst
ixpk= 926, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1074,1075, 920, 921,
&end
#
# 30 LEU HN 40 ALA HN 5.50 (# 933:15 Unique 3.78, 4.05 A)
&rst
ixpk= 933, nxpk= 15, iat= 462, 641, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 LEU HA 40 ALA HN 5.50 (# 934:15 Unique 1.88, 2.12 A)
&rst
ixpk= 934, nxpk= 15, iat= 464, 641, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ALA HA 40 ALA HN 4.50 (# 935:15 Unique 2.88, 2.95 A)
&rst
ixpk= 935, nxpk= 15, iat= 643, 641, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 VAL HA 40 ALA HN 3.50 (# 936:15 Unique 2.10, 2.15 A)
&rst
ixpk= 936, nxpk= 15, iat= 627, 641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:937 40 ALA HN 5.50 (# 937:15 Single Ambig)
&rst
ixpk= 937, nxpk= 15, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 491, 492, 447, 448, 466, 467,
&end
#
# 0 AMB 15-2:938 40 ALA HN 3.50 (# 938:15 Single Ambig)
&rst
ixpk= 938, nxpk= 15, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 471, 472, 473, 475, 476, 477, 469,
&end
#
# 56 ILE HN 58 GLY HN 5.50 (# 941:15 Unique 3.35, 3.61 A)
&rst
ixpk= 941, nxpk= 15, iat= 876, 909, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 SER HN 58 GLY HN 7.00 (# 942:15 Unique 5.04, 5.37 A)
&rst
ixpk= 942, nxpk= 15, iat=1307, 909, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 85 SER HB+ 58 GLY HN 5.50 (# 944:15 Unique 3.39, 4.59 A)
&rst
ixpk= 944, nxpk= 15, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1311,1312,
&end
#
# 57 ASN HB+ 58 GLY HN 4.50 (# 945:15 Unique 4.21, 4.49 A)
&rst
ixpk= 945, nxpk= 15, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 899, 900,
&end
#
# 85 SER HB- 58 GLY HN 5.50 (# 946:15 Unique 3.39, 4.59 A)
&rst
ixpk= 946, nxpk= 15, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1311,1312,
&end
#
# 59 MET HB+ 58 GLY HN 5.50 (# 947:15 Unique 4.62, 5.55 A)
&rst
ixpk= 947, nxpk= 15, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 920, 921,
&end
#
# 0 AMB 15-2:948 58 GLY HN 7.00 (# 948:15 Single Ambig)
&rst
ixpk= 948, nxpk= 15, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 920, 921,1295,
&end
#
# 59 MET HG+ 58 GLY HN 7.00 (# 949:15 Unique 4.39, 5.56 A)
&rst
ixpk= 949, nxpk= 15, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 923, 924,
&end
#
# 57 ASN HB- 58 GLY HN 5.50 (# 950:15 Unique 4.21, 4.49 A)
&rst
ixpk= 950, nxpk= 15, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 899, 900,
&end
#
# 56 ILE MG2 58 GLY HN 4.50 (# 952:15 Unique 4.92, 5.65 A)
&rst
ixpk= 952, nxpk= 15, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 882, 883, 884,
&end
#
# 56 ILE HB 58 GLY HN 5.50 (# 953:15 Unique 4.93, 5.16 A)
&rst
ixpk= 953, nxpk= 15, iat= 880, 909, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 PHE HA 54 LEU HN 4.50 (# 954:15 Unique 2.38, 2.56 A)
&rst
ixpk= 954, nxpk= 15, iat=1363, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 LEU HA 54 LEU HN 4.50 (# 955:15 Unique 2.98, 2.99 A)
&rst
ixpk= 955, nxpk= 15, iat= 849, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 VAL HB 54 LEU HN 5.50 (# 956:15 Unique 2.85, 3.96 A)
&rst
ixpk= 956, nxpk= 15, iat= 835, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 TYR HD 72 VAL HN 5.50 (# 957:15 Unique 3.93, 5.35 A)
&rst
ixpk= 957, nxpk= 15, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1014,1023,
&end
#
# 66 THR HN 72 VAL HN 5.50 (# 958:15 Unique 4.05, 4.17 A)
&rst
ixpk= 958, nxpk= 15, iat=1027,1107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 VAL HA 39 VAL HN 5.50 (# 959:15 Unique 4.34, 4.67 A)
&rst
ixpk= 959, nxpk= 15, iat= 783, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLY HA- 39 VAL HN 5.50 (# 960:15 Unique 3.75, 4.85 A)
&rst
ixpk= 960, nxpk= 15, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 799, 800,
&end
#
# 82 TYR HD 24 TYR HN 5.50 (# 961:15 Unique 3.03, 4.17 A)
&rst
ixpk= 961, nxpk= 15, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1264,1273,
&end
#
# 0 AMB 15-2:968 55 ALA HN 5.50 (# 968:15 Single Ambig)
&rst
ixpk= 968, nxpk= 15, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 849, 878,
&end
#
# 53 VAL HA 55 ALA HN 5.50 (# 969:15 Unique 3.87, 3.98 A)
&rst
ixpk= 969, nxpk= 15, iat= 833, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 ASN QB 96 ASN HD2+ 5.50 (# 970:15 Unique 2.26, 3.43 A)
&rst
ixpk= 970, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1498,1499,
igr2=1503,1504,
&end
#
# 78 ASN HA 78 ASN HD2- 5.50 (# 971:15 Unique 4.41, 4.64 A)
&rst
ixpk= 971, nxpk= 15, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1213,1214,
&end
#
# 36 ARG HA 37 VAL HN 5.50 (# 972:15 Unique 2.21, 2.41 A)
&rst
ixpk= 972, nxpk= 15, iat= 568, 590, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 SER HA 85 SER HN 5.50 (# 974:15 Unique 2.92, 2.97 A)
&rst
ixpk= 974, nxpk= 15, iat=1309,1307, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:976 59 MET HN 5.50 (# 976:15 Single Ambig)
&rst
ixpk= 976, nxpk= 15, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 882, 883, 884, 951, 952, 953, 955, 956, 957, 951,
952, 953, 955, 956, 957, 886, 887,
&end
#
# 74 GLU HA 78 ASN HN 5.50 (# 977:15 Unique 3.87, 4.12 A)
&rst
ixpk= 977, nxpk= 15, iat=1144,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLY HA+ 65 TYR HN 5.50 (# 978:15 Unique 3.67, 4.39 A)
&rst
ixpk= 978, nxpk= 15, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 977, 978,
&end
#
# 81 ASN HB- 81 ASN HD2- 4.50 (# 980:15 Unique 2.16, 3.24 A)
&rst
ixpk= 980, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1246,1247,
igr2=1251,1252,
&end
#
# 76 LEU HG 77 GLY HN 5.50 (# 981:15 Unique 4.51, 4.59 A)
&rst
ixpk= 981, nxpk= 15, iat=1185,1197, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 LYS HB- 70 LYS HN 3.50 (# 982:15 Unique 2.26, 3.03 A)
&rst
ixpk= 982, nxpk= 15, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1074,1075,
&end
#
# 0 AMB 15-2:983 0 AMB 15-1:983 3.50 (# 983:15 Double Ambig)
&rst
ixpk= 983, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1295, 221, 222, 210, 211,
igr2=1307, 217,
&end
#
# 74 GLU HB+ 75 TYR HN 3.50 (# 984:15 Unique 2.57, 3.23 A)
&rst
ixpk= 984, nxpk= 15, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1146,1147,
&end
#
# 32 LEU MDX 36 ARG HN 4.50 (# 985:15 Unique 2.45, 5.03 A)
&rst
ixpk= 985, nxpk= 15, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 512, 513, 514, 516, 517, 518,
&end
#
# 90 ARG QG 90 ARG HN 3.50 (# 986:15 Unique 1.99, 3.24 A)
&rst
ixpk= 986, nxpk= 15, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1395,1396,
&end
#
# 77 GLY HN 74 GLU HN 5.50 (# 994:15 Unique 4.40, 4.51 A)
&rst
ixpk= 994, nxpk= 15, iat=1197,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
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