NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492216 |
2k7x   |
cing | 1-original | 5 | AMBER | distance | NOE | ambi |
#
# 15 THR HN 15 THR HB 5.50 (# 1:20 Unique 2.64, 2.67 A)
&rst
ixpk= 1, nxpk= 20, iat= 198, 202, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
&end
#
# 16 LEU HN 15 THR HB 3.50 (# 2:20 Unique 2.34, 2.39 A)
&rst
ixpk= 2, nxpk= 20, iat= 212, 202, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 15 THR MG2 15 THR HB 3.50 (# 3:20 Unique 2.45, 2.66 A)
&rst
ixpk= 3, nxpk= 20, iat= -1, 202, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 204, 205, 206,
&end
#
# 38 THR HB 38 THR MG2 2.80 (# 4:20 Unique 2.38, 2.66 A)
&rst
ixpk= 4, nxpk= 20, iat= 591, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 593, 594, 595,
&end
#
# 38 THR HN 38 THR MG2 3.50 (# 5:20 Unique 2.81, 3.91 A)
&rst
ixpk= 5, nxpk= 20, iat= 587, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 593, 594, 595,
&end
#
# 0 AMB 20-2:7 38 THR MG2 4.50 (# 7:20 Single Ambig)
&rst
ixpk= 7, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 601, 543,
igr2= 593, 594, 595,
&end
#
# 39 THR HA 39 THR MG2 3.50 (# 8:20 Unique 3.61, 3.93 A)
&rst
ixpk= 8, nxpk= 20, iat= 603, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 607, 608, 609,
&end
#
# 64 LEU HN 61 VAL HA 5.50 (# 12:20 Unique 3.48, 3.53 A)
&rst
ixpk= 12, nxpk= 20, iat=1003, 958, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 VAL HN 61 VAL HA 3.50 (# 13:20 Unique 2.80, 2.81 A)
&rst
ixpk= 13, nxpk= 20, iat= 956, 958, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 61 VAL HB 61 VAL HA 4.50 (# 14:20 Unique 3.02, 3.02 A)
&rst
ixpk= 14, nxpk= 20, iat= 960, 958, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:15 61 VAL HA 4.50 (# 15:20 Single Ambig)
&rst
ixpk= 15, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1007,1008,1154,
&end
#
# 75 VAL MGX 61 VAL HA 3.50 (# 16:20 Unique 2.21, 3.39 A)
&rst
ixpk= 16, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1156,1157,1158,1160,1161,1162,
&end
#
# 0 AMB 20-2:17 61 VAL HA 2.80 (# 17:20 Single Ambig)
&rst
ixpk= 17, nxpk= 20, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1012,1013,1014,1016,1017,1018, 962, 963, 964, 966,
967, 968, 962, 963, 964, 966, 967, 968,
&end
#
# 62 ASP HN 61 VAL HA 5.50 (# 18:20 Unique 3.60, 3.61 A)
&rst
ixpk= 18, nxpk= 20, iat= 972, 958, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 THR HN 39 THR MG2 4.50 (# 20:20 Unique 3.37, 4.31 A)
&rst
ixpk= 20, nxpk= 20, iat= 615, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 607, 608, 609,
&end
#
# 44 PHE HD 39 THR MG2 3.50 (# 21:20 Unique 3.00, 4.99 A)
&rst
ixpk= 21, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 682, 690,
igr2= 607, 608, 609,
&end
#
# 80 ALA HA 39 THR MG2 2.80 (# 22:20 Unique 2.30, 3.26 A)
&rst
ixpk= 22, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 607, 608, 609,
&end
#
# 44 PHE HB- 39 THR MG2 3.50 (# 23:20 Unique 2.19, 3.62 A)
&rst
ixpk= 23, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 678, 679,
igr2= 607, 608, 609,
&end
#
# 79 CYS HB- 39 THR MG2 3.50 (# 24:20 Unique 2.32, 3.34 A)
&rst
ixpk= 24, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1218,1219,
igr2= 607, 608, 609,
&end
#
# 0 AMB 20-2:25 39 THR MG2 5.50 (# 25:20 Single Ambig)
&rst
ixpk= 25, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1214, 694,
igr2= 607, 608, 609,
&end
#
# 80 ALA HN 39 THR MG2 3.50 (# 26:20 Unique 2.50, 3.82 A)
&rst
ixpk= 26, nxpk= 20, iat=1225, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 607, 608, 609,
&end
#
# 44 PHE HB+ 39 THR MG2 3.50 (# 27:20 Unique 2.19, 3.62 A)
&rst
ixpk= 27, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 678, 679,
igr2= 607, 608, 609,
&end
#
# 79 CYS HB+ 39 THR MG2 3.50 (# 28:20 Unique 2.32, 3.34 A)
&rst
ixpk= 28, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1218,1219,
igr2= 607, 608, 609,
&end
#
# 0 AMB 20-2:29 39 THR MG2 3.50 (# 29:20 Single Ambig)
&rst
ixpk= 29, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1274,1275,1274,1275,
igr2= 607, 608, 609,
&end
#
# 76 LEU MDY 0 AMB 20-1:30 4.50 (# 30:20 Single Ambig)
&rst
ixpk= 30, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1175,1176,1177,1179,1180,1181,
igr2= 593, 594, 595, 607, 608, 609,
&end
#
# 111 VAL HN 110 VAL HA 3.50 (# 34:20 Unique 3.54, 3.56 A)
&rst
ixpk= 34, nxpk= 20, iat=1699,1685, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 110 VAL HN 110 VAL HA 2.80 (# 35:20 Unique 2.83, 2.84 A)
&rst
ixpk= 35, nxpk= 20, iat=1683,1685, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 113 GLN HG+ 110 VAL HA 5.50 (# 36:20 Unique 2.59, 3.73 A)
&rst
ixpk= 36, nxpk= 20, iat= -1,1685, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1746,1747,
&end
#
# 0 AMB 20-2:37 110 VAL HA 2.80 (# 37:20 Single Ambig)
&rst
ixpk= 37, nxpk= 20, iat= -1,1685, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1687,1743,1744,
&end
#
# 0 AMB 20-2:38 110 VAL HA 4.50 (# 38:20 Single Ambig)
&rst
ixpk= 38, nxpk= 20, iat= -1,1685, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 358, 359, 360, 284, 285, 286,
&end
#
# 110 VAL MGX 110 VAL HA 2.80 (# 39:20 Unique 2.45, 3.18 A)
&rst
ixpk= 39, nxpk= 20, iat= -1,1685, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1689,1690,1691,1693,1694,1695,
&end
#
# 31 ARG HB- 26 VAL HA 5.50 (# 44:20 Unique 2.07, 3.11 A)
&rst
ixpk= 44, nxpk= 20, iat= -1, 376, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 446, 447,
&end
#
# 78 MET HN 75 VAL HA 4.50 (# 51:20 Unique 3.03, 3.10 A)
&rst
ixpk= 51, nxpk= 20, iat=1197,1152, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 VAL HB 75 VAL HA 3.50 (# 52:20 Unique 3.03, 3.04 A)
&rst
ixpk= 52, nxpk= 20, iat=1154,1152, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 ALA MB 75 VAL HA 5.50 (# 53:20 Unique 4.86, 5.43 A)
&rst
ixpk= 53, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1144,1145,1146,
&end
#
# 75 VAL MGX 75 VAL HA 2.80 (# 54:20 Unique 2.43, 3.13 A)
&rst
ixpk= 54, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1156,1157,1158,1160,1161,1162,
&end
#
# 75 VAL HN 75 VAL HA 2.80 (# 55:20 Unique 2.80, 2.81 A)
&rst
ixpk= 55, nxpk= 20, iat=1150,1152, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 23 TYR HE 75 VAL HA 5.50 (# 57:20 Unique 3.35, 4.33 A)
&rst
ixpk= 57, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 343, 348,
&end
#
# 78 MET HB- 75 VAL HA 4.50 (# 58:20 Unique 2.57, 2.94 A)
&rst
ixpk= 58, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1201,1202,
&end
#
# 78 MET HG- 75 VAL HA 5.50 (# 59:20 Unique 4.25, 4.77 A)
&rst
ixpk= 59, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1204,1205,
&end
#
# 78 MET HB+ 75 VAL HA 5.50 (# 60:20 Unique 2.57, 2.94 A)
&rst
ixpk= 60, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1201,1202,
&end
#
# 75 VAL MGY 75 VAL HA 2.80 (# 61:20 Unique 2.43, 3.13 A)
&rst
ixpk= 61, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1156,1157,1158,1160,1161,1162,
&end
#
# 0 AMB 20-2:62 75 VAL HA 5.50 (# 62:20 Single Ambig)
&rst
ixpk= 62, nxpk= 20, iat= -1,1152, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
&end
#
# 112 ARG HN 111 VAL HA 3.50 (# 66:20 Unique 3.56, 3.58 A)
&rst
ixpk= 66, nxpk= 20, iat=1715,1701, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 GLN HE2+ 111 VAL HA 3.50 (# 67:20 Unique 2.52, 3.90 A)
&rst
ixpk= 67, nxpk= 20, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1095,1096,
&end
#
# 0 AMB 20-2:70 26 VAL HA 3.50 (# 70:20 Single Ambig)
&rst
ixpk= 70, nxpk= 20, iat= -1, 376, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 430, 390,
&end
#
# 26 VAL HN 26 VAL HA 2.80 (# 71:20 Unique 2.80, 2.81 A)
&rst
ixpk= 71, nxpk= 20, iat= 374, 376, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 VAL HB 26 VAL HA 3.50 (# 72:20 Unique 3.04, 3.05 A)
&rst
ixpk= 72, nxpk= 20, iat= 378, 376, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:73 26 VAL HA 4.50 (# 73:20 Single Ambig)
&rst
ixpk= 73, nxpk= 20, iat= -1, 376, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 368, 369, 370,1479,
&end
#
# 26 VAL MGX 26 VAL HA 2.80 (# 74:20 Unique 2.49, 3.17 A)
&rst
ixpk= 74, nxpk= 20, iat= -1, 376, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 26 VAL MGY 26 VAL HA 2.80 (# 75:20 Unique 2.49, 3.17 A)
&rst
ixpk= 75, nxpk= 20, iat= -1, 376, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 29 GLY HN 26 VAL HA 4.50 (# 76:20 Unique 3.54, 3.76 A)
&rst
ixpk= 76, nxpk= 20, iat= 423, 376, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 111 VAL HN 111 VAL HA 2.80 (# 81:20 Unique 2.82, 2.83 A)
&rst
ixpk= 81, nxpk= 20, iat=1699,1701, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 VAL HB 111 VAL HA 2.80 (# 82:20 Unique 2.91, 2.94 A)
&rst
ixpk= 82, nxpk= 20, iat=1703,1701, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 VAL MGX 111 VAL HA 2.80 (# 83:20 Unique 2.37, 3.16 A)
&rst
ixpk= 83, nxpk= 20, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1705,1706,1707,1709,1710,1711,
&end
#
# 0 AMB 20-2:84 111 VAL HA 2.80 (# 84:20 Single Ambig)
&rst
ixpk= 84, nxpk= 20, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1705,1706,1707,1709,1710,1711,1052,1053,1054,1056,
1057,1058,
&end
#
# 67 LEU MDY 111 VAL HA 2.80 (# 85:20 Unique 2.65, 4.59 A)
&rst
ixpk= 85, nxpk= 20, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1052,1053,1054,1056,1057,1058,
&end
#
# 17 ASN HA 14 ILE QG2 5.50 (# 86:20 Unique 4.17, 5.02 A)
&rst
ixpk= 86, nxpk= 20, iat= 233, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 185, 186, 187,
&end
#
# 103 ASP HB- 14 ILE QG2 5.50 (# 87:20 Unique 4.30, 6.36 A)
&rst
ixpk= 87, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1580,1581,
igr2= 185, 186, 187,
&end
#
# 17 ASN HD2- 14 ILE QG2 4.50 (# 90:20 Unique 2.92, 4.26 A)
&rst
ixpk= 90, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 240, 241,
igr2= 185, 186, 187,
&end
#
# 13 THR MG2 14 ILE QG2 4.50 (# 91:20 Unique 5.48, 7.00 A)
&rst
ixpk= 91, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 171, 172, 173,
igr2= 185, 186, 187,
&end
#
# 0 AMB 20-2:92 0 AMB 20-1:92 3.50 (# 92:20 Double Ambig)
&rst
ixpk= 92, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 294, 295,1030,1031,
igr2= 247,1039,
&end
#
# 0 AMB 20-2:93 0 AMB 20-1:93 3.50 (# 93:20 Double Ambig)
&rst
ixpk= 93, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 249,1090,1091,
igr2= 247,1039,
&end
#
# 18 VAL HN 18 VAL HA 3.50 (# 94:20 Unique 2.84, 2.88 A)
&rst
ixpk= 94, nxpk= 20, iat= 245, 247, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 TRP HB- 18 VAL HA 2.80 (# 95:20 Unique 2.33, 3.04 A)
&rst
ixpk= 95, nxpk= 20, iat= -1, 247, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 294, 295,
&end
#
# 18 VAL MGX 18 VAL HA 2.80 (# 96:20 Unique 2.36, 3.13 A)
&rst
ixpk= 96, nxpk= 20, iat= -1, 247, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 18 VAL MGY 18 VAL HA 2.80 (# 97:20 Unique 2.36, 3.13 A)
&rst
ixpk= 97, nxpk= 20, iat= -1, 247, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 21 TRP HN 18 VAL HA 5.50 (# 98:20 Unique 3.21, 3.33 A)
&rst
ixpk= 98, nxpk= 20, iat= 290, 247, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 18 VAL HN 14 ILE QG2 4.50 (# 102:20 Unique 4.04, 5.19 A)
&rst
ixpk= 102, nxpk= 20, iat= 245, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 185, 186, 187,
&end
#
# 14 ILE HN 14 ILE QG2 4.50 (# 103:20 Unique 4.27, 4.53 A)
&rst
ixpk= 103, nxpk= 20, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 185, 186, 187,
&end
#
# 16 LEU HN 14 ILE QG2 3.50 (# 104:20 Unique 3.10, 3.86 A)
&rst
ixpk= 104, nxpk= 20, iat= 212, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 185, 186, 187,
&end
#
# 15 THR HN 14 ILE QG2 3.50 (# 105:20 Unique 3.89, 4.38 A)
&rst
ixpk= 105, nxpk= 20, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 185, 186, 187,
&end
#
# 17 ASN HN 14 ILE QG2 2.80 (# 106:20 Unique 1.89, 3.04 A)
&rst
ixpk= 106, nxpk= 20, iat= 231, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 185, 186, 187,
&end
#
# 14 ILE HA 14 ILE QG2 2.80 (# 107:20 Unique 2.44, 3.08 A)
&rst
ixpk= 107, nxpk= 20, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 185, 186, 187,
&end
#
# 17 ASN HB- 14 ILE QG2 3.50 (# 108:20 Unique 2.52, 4.24 A)
&rst
ixpk= 108, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 235, 236,
igr2= 185, 186, 187,
&end
#
# 14 ILE HB 14 ILE QG2 2.80 (# 109:20 Unique 2.43, 2.67 A)
&rst
ixpk= 109, nxpk= 20, iat= 183, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 185, 186, 187,
&end
#
# 14 ILE HG1+ 14 ILE QG2 2.80 (# 110:20 Unique 2.58, 3.56 A)
&rst
ixpk= 110, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 189, 190,
igr2= 185, 186, 187,
&end
#
# 0 AMB 20-2:111 14 ILE QG2 2.80 (# 111:20 Single Ambig)
&rst
ixpk= 111, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 216, 217, 189, 190,
igr2= 185, 186, 187,
&end
#
# 67 LEU HN 66 PRO HA 5.50 (# 112:20 Unique 3.58, 3.61 A)
&rst
ixpk= 112, nxpk= 20, iat=1043,1039, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 PRO HG+ 66 PRO HA 3.50 (# 113:20 Unique 2.88, 3.60 A)
&rst
ixpk= 113, nxpk= 20, iat= -1,1039, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1033,1034,
&end
#
# 66 PRO HB- 66 PRO HA 2.80 (# 114:20 Unique 2.27, 2.63 A)
&rst
ixpk= 114, nxpk= 20, iat= -1,1039, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1036,1037,
&end
#
# 66 PRO HG- 66 PRO HA 3.50 (# 115:20 Unique 2.88, 3.60 A)
&rst
ixpk= 115, nxpk= 20, iat= -1,1039, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1033,1034,
&end
#
# 66 PRO HB+ 66 PRO HA 3.50 (# 116:20 Unique 2.27, 2.63 A)
&rst
ixpk= 116, nxpk= 20, iat= -1,1039, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1036,1037,
&end
#
# 69 ALA MB 66 PRO HA 2.80 (# 117:20 Unique 2.42, 3.44 A)
&rst
ixpk= 117, nxpk= 20, iat= -1,1039, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1077,1078,1079,
&end
#
# 69 ALA HN 66 PRO HA 4.50 (# 118:20 Unique 3.32, 3.51 A)
&rst
ixpk= 118, nxpk= 20, iat=1073,1039, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 111 VAL MGX 66 PRO HA 4.50 (# 119:20 Unique 4.98, 6.33 A)
&rst
ixpk= 119, nxpk= 20, iat= -1,1039, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1705,1706,1707,1709,1710,1711,
&end
#
# 75 VAL HN 74 ALA MB 2.80 (# 123:20 Unique 2.61, 3.60 A)
&rst
ixpk= 123, nxpk= 20, iat=1150, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1144,1145,1146,
&end
#
# 77 ASP HN 74 ALA MB 2.80 (# 124:20 Unique 2.66, 3.64 A)
&rst
ixpk= 124, nxpk= 20, iat=1185, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1144,1145,1146,
&end
#
# 73 ILE HA 74 ALA MB 4.50 (# 125:20 Unique 4.46, 5.01 A)
&rst
ixpk= 125, nxpk= 20, iat=1123, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1144,1145,1146,
&end
#
# 77 ASP HB- 74 ALA MB 2.80 (# 126:20 Unique 2.82, 4.25 A)
&rst
ixpk= 126, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1189,1190,
igr2=1144,1145,1146,
&end
#
# 74 ALA HA 74 ALA MB 2.80 (# 127:20 Unique 2.46, 2.68 A)
&rst
ixpk= 127, nxpk= 20, iat=1142, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1144,1145,1146,
&end
#
# 77 ASP HB+ 74 ALA MB 4.50 (# 128:20 Unique 2.82, 4.25 A)
&rst
ixpk= 128, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1189,1190,
igr2=1144,1145,1146,
&end
#
# 0 AMB 20-2:129 63 ILE QG2 5.50 (# 129:20 Single Ambig)
&rst
ixpk= 129, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1647,1625,
igr2= 990, 991, 992,
&end
#
# 17 ASN HD2+ 14 ILE QG2 4.50 (# 131:20 Unique 2.92, 4.26 A)
&rst
ixpk= 131, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 240, 241,
igr2= 185, 186, 187,
&end
#
# 0 AMB 20-2:132 107 PRO HA 5.50 (# 132:20 Single Ambig)
&rst
ixpk= 132, nxpk= 20, iat= -1,1647, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1699, 280,
&end
#
# 0 AMB 20-2:133 107 PRO HA 2.80 (# 133:20 Single Ambig)
&rst
ixpk= 133, nxpk= 20, iat= -1,1647, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1644,1645,1687,
&end
#
# 107 PRO HG+ 107 PRO HA 4.50 (# 134:20 Unique 2.92, 3.45 A)
&rst
ixpk= 134, nxpk= 20, iat= -1,1647, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1641,1642,
&end
#
# 20 ALA MB 107 PRO HA 2.80 (# 135:20 Unique 2.17, 2.85 A)
&rst
ixpk= 135, nxpk= 20, iat= -1,1647, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 284, 285, 286,
&end
#
# 0 AMB 20-2:136 107 PRO HA 2.80 (# 136:20 Single Ambig)
&rst
ixpk= 136, nxpk= 20, iat= -1,1647, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1689,1690,1691,1693,1694,1695,1012,1013,1014,1016,
1017,1018,
&end
#
# 107 PRO HG- 107 PRO HA 3.50 (# 137:20 Unique 2.92, 3.45 A)
&rst
ixpk= 137, nxpk= 20, iat= -1,1647, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1641,1642,
&end
#
# 48 ALA HN 47 VAL HA 5.50 (# 138:20 Unique 3.62, 3.63 A)
&rst
ixpk= 138, nxpk= 20, iat= 743, 729, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 LYS HN 47 VAL HA 4.50 (# 139:20 Unique 3.79, 3.95 A)
&rst
ixpk= 139, nxpk= 20, iat= 770, 729, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 VAL HN 47 VAL HA 3.50 (# 140:20 Unique 2.88, 2.90 A)
&rst
ixpk= 140, nxpk= 20, iat= 727, 729, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 47 VAL HB 47 VAL HA 2.80 (# 141:20 Unique 3.00, 3.01 A)
&rst
ixpk= 141, nxpk= 20, iat= 731, 729, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 50 LYS HB+ 47 VAL HA 3.50 (# 142:20 Unique 3.17, 3.89 A)
&rst
ixpk= 142, nxpk= 20, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 774, 775,
&end
#
# 50 LYS HD+ 47 VAL HA 4.50 (# 143:20 Unique 2.67, 4.62 A)
&rst
ixpk= 143, nxpk= 20, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 780, 781,
&end
#
# 47 VAL MGX 47 VAL HA 2.80 (# 144:20 Unique 2.45, 3.14 A)
&rst
ixpk= 144, nxpk= 20, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 733, 734, 735, 737, 738, 739,
&end
#
# 47 VAL MGY 47 VAL HA 2.80 (# 145:20 Unique 2.45, 3.14 A)
&rst
ixpk= 145, nxpk= 20, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 733, 734, 735, 737, 738, 739,
&end
#
# 50 LYS HB- 47 VAL HA 3.50 (# 146:20 Unique 3.17, 3.89 A)
&rst
ixpk= 146, nxpk= 20, iat= -1, 729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 774, 775,
&end
#
# 82 LEU HN 81 ALA MB 2.80 (# 148:20 Unique 2.39, 3.29 A)
&rst
ixpk= 148, nxpk= 20, iat=1245, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1239,1240,1241,
&end
#
# 35 ASN HN 81 ALA MB 3.50 (# 149:20 Unique 2.08, 3.99 A)
&rst
ixpk= 149, nxpk= 20, iat= 529, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1239,1240,1241,
&end
#
# 35 ASN HD2+ 81 ALA MB 3.50 (# 150:20 Unique 2.01, 4.86 A)
&rst
ixpk= 150, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 538, 539,
igr2=1239,1240,1241,
&end
#
# 81 ALA HN 81 ALA MB 2.80 (# 152:20 Unique 2.42, 2.89 A)
&rst
ixpk= 152, nxpk= 20, iat=1235, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1239,1240,1241,
&end
#
# 33 PHE HE 81 ALA MB 4.50 (# 153:20 Unique 2.66, 5.85 A)
&rst
ixpk= 153, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 500, 504,
igr2=1239,1240,1241,
&end
#
# 35 ASN HD2- 81 ALA MB 5.50 (# 154:20 Unique 2.01, 4.86 A)
&rst
ixpk= 154, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 538, 539,
igr2=1239,1240,1241,
&end
#
# 33 PHE HD 81 ALA MB 3.50 (# 155:20 Unique 2.12, 5.27 A)
&rst
ixpk= 155, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 498, 506,
igr2=1239,1240,1241,
&end
#
# 78 MET HA 81 ALA MB 2.80 (# 156:20 Unique 2.48, 3.29 A)
&rst
ixpk= 156, nxpk= 20, iat=1199, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1239,1240,1241,
&end
#
# 81 ALA HA 81 ALA MB 2.80 (# 157:20 Unique 2.40, 2.66 A)
&rst
ixpk= 157, nxpk= 20, iat=1237, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1239,1240,1241,
&end
#
# 34 LEU HA 81 ALA MB 2.80 (# 159:20 Unique 2.48, 3.28 A)
&rst
ixpk= 159, nxpk= 20, iat= 512, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1239,1240,1241,
&end
#
# 0 AMB 20-2:160 81 ALA MB 2.80 (# 160:20 Single Ambig)
&rst
ixpk= 160, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1= 519, 520, 521, 523, 524, 525, 323, 324, 325, 327,
328, 329, 494, 495,
igr2=1239,1240,1241,
&end
#
# 108 PHE HN 63 ILE QG2 3.50 (# 164:20 Unique 3.87, 4.35 A)
&rst
ixpk= 164, nxpk= 20, iat=1651, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 990, 991, 992,
&end
#
# 64 LEU HA 63 ILE QG2 4.50 (# 165:20 Unique 3.86, 5.00 A)
&rst
ixpk= 165, nxpk= 20, iat=1005, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 990, 991, 992,
&end
#
# 107 PRO HB- 63 ILE QG2 2.80 (# 166:20 Unique 2.23, 3.86 A)
&rst
ixpk= 166, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1644,1645,
igr2= 990, 991, 992,
&end
#
# 107 PRO HB+ 63 ILE QG2 2.80 (# 167:20 Unique 2.23, 3.86 A)
&rst
ixpk= 167, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1644,1645,
igr2= 990, 991, 992,
&end
#
# 63 ILE HG1- 63 ILE QG2 2.80 (# 168:20 Unique 2.33, 3.42 A)
&rst
ixpk= 168, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 994, 995,
igr2= 990, 991, 992,
&end
#
# 63 ILE HN 63 ILE QG2 4.50 (# 169:20 Unique 4.47, 4.59 A)
&rst
ixpk= 169, nxpk= 20, iat= 984, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 990, 991, 992,
&end
#
# 64 LEU HN 63 ILE QG2 4.50 (# 170:20 Unique 3.93, 4.73 A)
&rst
ixpk= 170, nxpk= 20, iat=1003, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 990, 991, 992,
&end
#
# 63 ILE HA 63 ILE QG2 2.80 (# 171:20 Unique 2.55, 3.13 A)
&rst
ixpk= 171, nxpk= 20, iat= 986, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 990, 991, 992,
&end
#
# 63 ILE HB 63 ILE QG2 2.80 (# 172:20 Unique 2.47, 2.69 A)
&rst
ixpk= 172, nxpk= 20, iat= 988, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 990, 991, 992,
&end
#
# 0 AMB 20-2:173 63 ILE QG2 2.80 (# 173:20 Single Ambig)
&rst
ixpk= 173, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1641,1642, 994, 995,
igr2= 990, 991, 992,
&end
#
# 107 PRO HG- 63 ILE QG2 2.80 (# 174:20 Unique 2.16, 3.81 A)
&rst
ixpk= 174, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1641,1642,
igr2= 990, 991, 992,
&end
#
# 0 AMB 20-2:175 100 ILE QG2 4.50 (# 175:20 Single Ambig)
&rst
ixpk= 175, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=1384,1385,1388,1389,1390,
igr2=1529,1530,1531,
&end
#
# 21 TRP HZ2 95 ILE QG2 5.50 (# 176:20 Unique 2.90, 3.92 A)
&rst
ixpk= 176, nxpk= 20, iat= 303, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1459,1460,1461,
&end
#
# 108 PHE HN 107 PRO HA 5.50 (# 177:20 Unique 3.57, 3.59 A)
&rst
ixpk= 177, nxpk= 20, iat=1651,1647, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 110 VAL HN 107 PRO HA 5.50 (# 178:20 Unique 3.42, 3.53 A)
&rst
ixpk= 178, nxpk= 20, iat=1683,1647, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:179 27 ILE HA 2.80 (# 179:20 Single Ambig)
&rst
ixpk= 179, nxpk= 20, iat= -1, 392, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 400, 401, 396, 397, 398,
&end
#
# 27 ILE HB 27 ILE HA 2.80 (# 180:20 Unique 2.96, 2.97 A)
&rst
ixpk= 180, nxpk= 20, iat= 394, 392, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:183 69 ALA MB 5.50 (# 183:20 Single Ambig)
&rst
ixpk= 183, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1090,1091,1087,1088,
igr2=1077,1078,1079,
&end
#
# 69 ALA HN 69 ALA MB 2.80 (# 184:20 Unique 2.52, 2.90 A)
&rst
ixpk= 184, nxpk= 20, iat=1073, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1077,1078,1079,
&end
#
# 68 SER HN 69 ALA MB 5.50 (# 185:20 Unique 5.12, 5.65 A)
&rst
ixpk= 185, nxpk= 20, iat=1062, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1077,1078,1079,
&end
#
# 70 GLN HN 69 ALA MB 2.80 (# 186:20 Unique 2.53, 3.39 A)
&rst
ixpk= 186, nxpk= 20, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1077,1078,1079,
&end
#
# 66 PRO HA 69 ALA MB 2.80 (# 187:20 Unique 2.42, 3.44 A)
&rst
ixpk= 187, nxpk= 20, iat=1039, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1077,1078,1079,
&end
#
# 69 ALA HA 69 ALA MB 2.80 (# 188:20 Unique 2.45, 2.66 A)
&rst
ixpk= 188, nxpk= 20, iat=1075, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1077,1078,1079,
&end
#
# 66 PRO HB- 69 ALA MB 5.50 (# 189:20 Unique 4.49, 5.82 A)
&rst
ixpk= 189, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1036,1037,
igr2=1077,1078,1079,
&end
#
# 96 LEU HN 25 ALA MB 5.50 (# 190:20 Unique 2.82, 3.97 A)
&rst
ixpk= 190, nxpk= 20, iat=1472, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 368, 369, 370,
&end
#
# 30 ASP HB- 25 ALA MB 3.50 (# 191:20 Unique 2.31, 4.31 A)
&rst
ixpk= 191, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 434, 435,
igr2= 368, 369, 370,
&end
#
# 30 ASP HB+ 25 ALA MB 4.50 (# 192:20 Unique 2.31, 4.31 A)
&rst
ixpk= 192, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 434, 435,
igr2= 368, 369, 370,
&end
#
# 96 LEU MDY 25 ALA MB 3.50 (# 193:20 Unique 2.63, 5.05 A)
&rst
ixpk= 193, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1481,1482,1483,1485,1486,1487,
igr2= 368, 369, 370,
&end
#
# 96 LEU MDX 25 ALA MB 2.80 (# 194:20 Unique 2.63, 5.05 A)
&rst
ixpk= 194, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1481,1482,1483,1485,1486,1487,
igr2= 368, 369, 370,
&end
#
# 95 ILE QD1 25 ALA MB 5.50 (# 195:20 Unique 4.70, 6.07 A)
&rst
ixpk= 195, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1466,1467,1468,
igr2= 368, 369, 370,
&end
#
# 33 PHE HE 25 ALA MB 3.50 (# 196:20 Unique 2.40, 4.36 A)
&rst
ixpk= 196, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 500, 504,
igr2= 368, 369, 370,
&end
#
# 95 ILE HA 25 ALA MB 5.50 (# 197:20 Unique 3.96, 4.84 A)
&rst
ixpk= 197, nxpk= 20, iat=1455, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 368, 369, 370,
&end
#
# 25 ALA HA 25 ALA MB 2.80 (# 198:20 Unique 2.41, 2.66 A)
&rst
ixpk= 198, nxpk= 20, iat= 366, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 368, 369, 370,
&end
#
# 0 AMB 20-2:201 100 ILE QG2 5.50 (# 201:20 Single Ambig)
&rst
ixpk= 201, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1509,1377,
igr2=1529,1530,1531,
&end
#
# 101 LEU HN 100 ILE QG2 2.80 (# 202:20 Unique 2.93, 3.82 A)
&rst
ixpk= 202, nxpk= 20, iat=1542, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1529,1530,1531,
&end
#
# 100 ILE HA 100 ILE QG2 2.80 (# 203:20 Unique 2.24, 2.84 A)
&rst
ixpk= 203, nxpk= 20, iat=1525, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1529,1530,1531,
&end
#
# 100 ILE HB 100 ILE QG2 2.80 (# 204:20 Unique 2.38, 2.62 A)
&rst
ixpk= 204, nxpk= 20, iat=1527, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1529,1530,1531,
&end
#
# 100 ILE HG1+ 100 ILE QG2 2.80 (# 205:20 Unique 2.58, 3.57 A)
&rst
ixpk= 205, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1533,1534,
igr2=1529,1530,1531,
&end
#
# 100 ILE QD1 100 ILE QG2 2.80 (# 206:20 Unique 2.27, 3.83 A)
&rst
ixpk= 206, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1536,1537,1538,
igr2=1529,1530,1531,
&end
#
# 21 TRP HE1 95 ILE QG2 5.50 (# 208:20 Unique 3.72, 5.18 A)
&rst
ixpk= 208, nxpk= 20, iat= 300, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1459,1460,1461,
&end
#
# 0 AMB 20-2:209 95 ILE QG2 5.50 (# 209:20 Single Ambig)
&rst
ixpk= 209, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 364, 430,
igr2=1459,1460,1461,
&end
#
# 0 AMB 20-2:210 95 ILE QG2 5.50 (# 210:20 Single Ambig)
&rst
ixpk= 210, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 366,1443,
igr2=1459,1460,1461,
&end
#
# 21 TRP HH2 95 ILE QG2 4.50 (# 211:20 Unique 3.09, 3.96 A)
&rst
ixpk= 211, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1459,1460,1461,
&end
#
# 95 ILE HA 95 ILE QG2 3.50 (# 212:20 Unique 2.59, 3.23 A)
&rst
ixpk= 212, nxpk= 20, iat=1455, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1459,1460,1461,
&end
#
# 22 LEU HA 95 ILE QG2 5.50 (# 213:20 Unique 3.16, 3.96 A)
&rst
ixpk= 213, nxpk= 20, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1459,1460,1461,
&end
#
# 30 ASP HB- 95 ILE QG2 5.50 (# 214:20 Unique 4.02, 5.93 A)
&rst
ixpk= 214, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 434, 435,
igr2=1459,1460,1461,
&end
#
# 0 AMB 20-2:215 95 ILE QG2 5.50 (# 215:20 Single Ambig)
&rst
ixpk= 215, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 434, 435,1384,1385,
igr2=1459,1460,1461,
&end
#
# 0 AMB 20-2:216 95 ILE QG2 5.50 (# 216:20 Single Ambig)
&rst
ixpk= 216, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1388,1389,1390, 321,
igr2=1459,1460,1461,
&end
#
# 0 AMB 20-2:217 95 ILE QG2 3.50 (# 217:20 Single Ambig)
&rst
ixpk= 217, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1463,1464,1476,1477,
igr2=1459,1460,1461,
&end
#
# 0 AMB 20-2:218 95 ILE QG2 2.80 (# 218:20 Single Ambig)
&rst
ixpk= 218, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1476,1477,1457,
igr2=1459,1460,1461,
&end
#
# 0 AMB 20-2:219 95 ILE QG2 2.80 (# 219:20 Single Ambig)
&rst
ixpk= 219, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 368, 369, 370,1479,
igr2=1459,1460,1461,
&end
#
# 0 AMB 20-2:220 95 ILE QG2 3.50 (# 220:20 Single Ambig)
&rst
ixpk= 220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1463,1464,1481,1482,1483,1485,1486,1487,
igr2=1459,1460,1461,
&end
#
# 96 LEU MDX 95 ILE QG2 4.50 (# 221:20 Unique 2.93, 6.01 A)
&rst
ixpk= 221, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1481,1482,1483,1485,1486,1487,
igr2=1459,1460,1461,
&end
#
# 96 LEU HN 95 ILE QG2 4.50 (# 222:20 Unique 2.76, 3.51 A)
&rst
ixpk= 222, nxpk= 20, iat=1472, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1459,1460,1461,
&end
#
# 0 AMB 20-2:223 95 ILE QG2 4.50 (# 223:20 Single Ambig)
&rst
ixpk= 223, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 500, 504, 307,
igr2=1459,1460,1461,
&end
#
# 95 ILE QD1 95 ILE QG2 3.50 (# 224:20 Unique 2.19, 3.70 A)
&rst
ixpk= 224, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1466,1467,1468,
igr2=1459,1460,1461,
&end
#
# 27 ILE HN 27 ILE HA 3.50 (# 225:20 Unique 2.80, 2.81 A)
&rst
ixpk= 225, nxpk= 20, iat= 390, 392, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 ILE HG1+ 27 ILE HA 2.80 (# 226:20 Unique 2.36, 2.52 A)
&rst
ixpk= 226, nxpk= 20, iat= -1, 392, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 400, 401,
&end
#
# 71 THR MG2 27 ILE HA 3.50 (# 227:20 Unique 3.37, 4.37 A)
&rst
ixpk= 227, nxpk= 20, iat= -1, 392, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1106,1107,1108,
&end
#
# 27 ILE QD1 27 ILE HA 4.50 (# 228:20 Unique 4.37, 4.53 A)
&rst
ixpk= 228, nxpk= 20, iat= -1, 392, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 403, 404, 405,
&end
#
# 28 ASN HN 27 ILE HA 4.50 (# 229:20 Unique 3.60, 3.61 A)
&rst
ixpk= 229, nxpk= 20, iat= 409, 392, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 ASN HD2- 80 ALA MB 5.50 (# 231:20 Unique 2.23, 4.29 A)
&rst
ixpk= 231, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 538, 539,
igr2=1229,1230,1231,
&end
#
# 39 THR HN 80 ALA MB 2.80 (# 232:20 Unique 1.87, 3.15 A)
&rst
ixpk= 232, nxpk= 20, iat= 601, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1229,1230,1231,
&end
#
# 0 AMB 20-2:233 80 ALA MB 2.80 (# 233:20 Single Ambig)
&rst
ixpk= 233, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 538, 539,1225,
igr2=1229,1230,1231,
&end
#
# 81 ALA HN 80 ALA MB 2.80 (# 234:20 Unique 2.67, 3.55 A)
&rst
ixpk= 234, nxpk= 20, iat=1235, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1229,1230,1231,
&end
#
# 37 PHE HD 80 ALA MB 4.50 (# 235:20 Unique 3.68, 6.03 A)
&rst
ixpk= 235, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 575, 583,
igr2=1229,1230,1231,
&end
#
# 0 AMB 20-2:236 80 ALA MB 3.50 (# 236:20 Single Ambig)
&rst
ixpk= 236, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1187, 589,
igr2=1229,1230,1231,
&end
#
# 80 ALA HA 80 ALA MB 2.80 (# 237:20 Unique 2.41, 2.66 A)
&rst
ixpk= 237, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1229,1230,1231,
&end
#
# 37 PHE HB- 80 ALA MB 4.50 (# 238:20 Unique 2.38, 4.08 A)
&rst
ixpk= 238, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 571, 572,
igr2=1229,1230,1231,
&end
#
# 37 PHE HB+ 80 ALA MB 2.80 (# 239:20 Unique 2.38, 4.08 A)
&rst
ixpk= 239, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 571, 572,
igr2=1229,1230,1231,
&end
#
# 39 THR MG2 80 ALA MB 2.80 (# 240:20 Unique 2.44, 4.35 A)
&rst
ixpk= 240, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 607, 608, 609,
igr2=1229,1230,1231,
&end
#
# 79 CYS HN 80 ALA MB 5.50 (# 241:20 Unique 4.93, 5.45 A)
&rst
ixpk= 241, nxpk= 20, iat=1214, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1229,1230,1231,
&end
#
# 37 PHE HN 80 ALA MB 5.50 (# 242:20 Unique 3.30, 4.23 A)
&rst
ixpk= 242, nxpk= 20, iat= 567, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1229,1230,1231,
&end
#
# 21 TRP HB+ 20 ALA MB 5.50 (# 243:20 Unique 4.18, 5.33 A)
&rst
ixpk= 243, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 294, 295,
igr2= 284, 285, 286,
&end
#
# 20 ALA HN 20 ALA MB 2.80 (# 245:20 Unique 2.45, 2.88 A)
&rst
ixpk= 245, nxpk= 20, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 284, 285, 286,
&end
#
# 107 PRO HG- 20 ALA MB 3.50 (# 247:20 Unique 2.14, 3.99 A)
&rst
ixpk= 247, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1641,1642,
igr2= 284, 285, 286,
&end
#
# 0 AMB 20-2:248 20 ALA MB 2.80 (# 248:20 Single Ambig)
&rst
ixpk= 248, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.65, r4= 5.40,
igr1=1689,1690,1691,1693,1694,1695, 219,
igr2= 284, 285, 286,
&end
#
# 0 AMB 20-2:249 69 ALA MB 4.50 (# 249:20 Single Ambig)
&rst
ixpk= 249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1043,1100,
igr2=1077,1078,1079,
&end
#
# 25 ALA HN 25 ALA MB 2.80 (# 252:20 Unique 2.44, 2.89 A)
&rst
ixpk= 252, nxpk= 20, iat= 364, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 368, 369, 370,
&end
#
# 26 VAL HN 25 ALA MB 2.80 (# 253:20 Unique 2.49, 3.40 A)
&rst
ixpk= 253, nxpk= 20, iat= 374, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 368, 369, 370,
&end
#
# 0 AMB 20-2:254 25 ALA MB 4.50 (# 254:20 Single Ambig)
&rst
ixpk= 254, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 474, 409, 309,
igr2= 368, 369, 370,
&end
#
# 22 LEU HA 25 ALA MB 2.80 (# 256:20 Unique 2.81, 3.65 A)
&rst
ixpk= 256, nxpk= 20, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 368, 369, 370,
&end
#
# 26 VAL MGX 25 ALA MB 3.50 (# 257:20 Unique 3.24, 6.42 A)
&rst
ixpk= 257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 380, 381, 382, 384, 385, 386,
igr2= 368, 369, 370,
&end
#
# 95 ILE QG2 25 ALA MB 2.80 (# 258:20 Unique 2.35, 3.33 A)
&rst
ixpk= 258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1459,1460,1461,
igr2= 368, 369, 370,
&end
#
# 22 LEU MDX 25 ALA MB 3.50 (# 259:20 Unique 3.84, 6.48 A)
&rst
ixpk= 259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 323, 324, 325, 327, 328, 329,
igr2= 368, 369, 370,
&end
#
# 22 LEU MDY 95 ILE QG2 5.50 (# 264:20 Unique 2.32, 5.40 A)
&rst
ixpk= 264, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 323, 324, 325, 327, 328, 329,
igr2=1459,1460,1461,
&end
#
# 21 TRP HZ2 90 MET ME 5.50 (# 265:20 Unique 2.95, 4.28 A)
&rst
ixpk= 265, nxpk= 20, iat= 303, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1388,1389,1390,
&end
#
# 0 AMB 20-2:266 0 AMB 20-1:266 5.50 (# 266:20 Double Ambig)
&rst
ixpk= 266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 341, 350,1286,
igr2= 284, 285, 286,1229,1230,1231,
&end
#
# 21 TRP HZ2 98 SER HB- 3.50 (# 271:20 Unique 2.08, 3.23 A)
&rst
ixpk= 271, nxpk= 20, iat= 303, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1502,1503,
&end
#
# 95 ILE HN 98 SER HB+ 5.50 (# 272:20 Unique 3.43, 4.37 A)
&rst
ixpk= 272, nxpk= 20, iat=1453, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1502,1503,
&end
#
# 21 TRP HH2 98 SER HB+ 5.50 (# 273:20 Unique 4.10, 5.05 A)
&rst
ixpk= 273, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1502,1503,
&end
#
# 100 ILE HN 98 SER HB+ 5.50 (# 274:20 Unique 2.35, 3.05 A)
&rst
ixpk= 274, nxpk= 20, iat=1523, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1502,1503,
&end
#
# 94 THR HA 90 MET ME 4.50 (# 275:20 Unique 2.28, 4.00 A)
&rst
ixpk= 275, nxpk= 20, iat=1441, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1388,1389,1390,
&end
#
# 0 AMB 20-2:276 90 MET ME 4.50 (# 276:20 Single Ambig)
&rst
ixpk= 276, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1455,1372,1373,
igr2=1388,1389,1390,
&end
#
# 32 TRP HE1 90 MET ME 5.50 (# 277:20 Unique 4.73, 6.43 A)
&rst
ixpk= 277, nxpk= 20, iat= 476, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1388,1389,1390,
&end
#
# 95 ILE HN 90 MET ME 3.50 (# 278:20 Unique 2.63, 3.70 A)
&rst
ixpk= 278, nxpk= 20, iat=1453, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1388,1389,1390,
&end
#
# 0 AMB 20-2:279 90 MET ME 4.50 (# 279:20 Single Ambig)
&rst
ixpk= 279, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1377,1498,1509,
igr2=1388,1389,1390,
&end
#
# 100 ILE HN 90 MET ME 3.50 (# 280:20 Unique 2.82, 3.85 A)
&rst
ixpk= 280, nxpk= 20, iat=1523, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1388,1389,1390,
&end
#
# 32 TRP HZ2 90 MET ME 4.50 (# 281:20 Unique 3.24, 5.27 A)
&rst
ixpk= 281, nxpk= 20, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1388,1389,1390,
&end
#
# 0 AMB 20-2:283 90 MET ME 4.50 (# 283:20 Single Ambig)
&rst
ixpk= 283, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1511,1502,1503,
igr2=1388,1389,1390,
&end
#
# 100 ILE HA 90 MET ME 3.50 (# 284:20 Unique 2.49, 3.91 A)
&rst
ixpk= 284, nxpk= 20, iat=1525, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1388,1389,1390,
&end
#
# 0 AMB 20-2:285 90 MET ME 3.50 (# 285:20 Single Ambig)
&rst
ixpk= 285, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1502,1503,1544,
igr2=1388,1389,1390,
&end
#
# 90 MET HB+ 90 MET ME 2.80 (# 286:20 Unique 2.20, 3.74 A)
&rst
ixpk= 286, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1381,1382,
igr2=1388,1389,1390,
&end
#
# 90 MET HB- 90 MET ME 2.80 (# 287:20 Unique 2.20, 3.74 A)
&rst
ixpk= 287, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1381,1382,
igr2=1388,1389,1390,
&end
#
# 0 AMB 20-2:288 90 MET ME 2.80 (# 288:20 Single Ambig)
&rst
ixpk= 288, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1551,1552,1553,1555,1556,1557,1310,1311,1312,1314,
1315,1316,
igr2=1388,1389,1390,
&end
#
# 95 ILE QD1 90 MET ME 2.80 (# 290:20 Unique 2.32, 4.50 A)
&rst
ixpk= 290, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1466,1467,1468,
igr2=1388,1389,1390,
&end
#
# 95 ILE QG2 90 MET ME 4.50 (# 291:20 Unique 4.29, 5.68 A)
&rst
ixpk= 291, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1459,1460,1461,
igr2=1388,1389,1390,
&end
#
# 22 LEU MDX 90 MET ME 4.50 (# 292:20 Unique 4.80, 7.79 A)
&rst
ixpk= 292, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 323, 324, 325, 327, 328, 329,
igr2=1388,1389,1390,
&end
#
# 0 AMB 20-2:293 80 ALA MB 4.50 (# 293:20 Single Ambig)
&rst
ixpk= 293, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1268,1269,1290,1291,
igr2=1229,1230,1231,
&end
#
# 24 ALA HN 24 ALA MB 2.80 (# 294:20 Unique 2.40, 2.91 A)
&rst
ixpk= 294, nxpk= 20, iat= 354, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 358, 359, 360,
&end
#
# 28 ASN HD2+ 24 ALA MB 4.50 (# 295:20 Unique 2.84, 4.21 A)
&rst
ixpk= 295, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 418, 419,
igr2= 358, 359, 360,
&end
#
# 28 ASN HD2- 24 ALA MB 5.50 (# 297:20 Unique 2.84, 4.21 A)
&rst
ixpk= 297, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 418, 419,
igr2= 358, 359, 360,
&end
#
# 21 TRP HD1 24 ALA MB 5.50 (# 298:20 Unique 3.27, 4.55 A)
&rst
ixpk= 298, nxpk= 20, iat= 298, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 358, 359, 360,
&end
#
# 24 ALA HA 24 ALA MB 2.80 (# 299:20 Unique 2.38, 2.66 A)
&rst
ixpk= 299, nxpk= 20, iat= 356, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 358, 359, 360,
&end
#
# 110 VAL HB 24 ALA MB 4.50 (# 300:20 Unique 2.63, 4.72 A)
&rst
ixpk= 300, nxpk= 20, iat=1687, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 358, 359, 360,
&end
#
# 110 VAL MGX 24 ALA MB 2.80 (# 301:20 Unique 2.23, 3.67 A)
&rst
ixpk= 301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1689,1690,1691,1693,1694,1695,
igr2= 358, 359, 360,
&end
#
# 0 AMB 20-2:303 24 ALA MB 3.50 (# 303:20 Single Ambig)
&rst
ixpk= 303, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1= 403, 404, 405,1052,1053,1054,1056,1057,1058,
igr2= 358, 359, 360,
&end
#
# 96 LEU MDX 24 ALA MB 3.50 (# 304:20 Unique 2.25, 4.92 A)
&rst
ixpk= 304, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1481,1482,1483,1485,1486,1487,
igr2= 358, 359, 360,
&end
#
# 0 AMB 20-2:306 98 SER HB- 3.50 (# 306:20 Single Ambig)
&rst
ixpk= 306, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1498,1509,
igr2=1502,1503,
&end
#
# 21 TRP HH2 98 SER HB- 4.50 (# 307:20 Unique 4.10, 5.05 A)
&rst
ixpk= 307, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1502,1503,
&end
#
# 98 SER HA 98 SER HB- 3.50 (# 308:20 Unique 2.38, 2.75 A)
&rst
ixpk= 308, nxpk= 20, iat=1500, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1502,1503,
&end
#
# 0 AMB 20-2:309 0 AMB 20-1:309 2.80 (# 309:20 Double Ambig)
&rst
ixpk= 309, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1498,1509,
igr2=1502,1503,1502,1503,
&end
#
# 21 TRP HZ2 98 SER HB+ 3.50 (# 310:20 Unique 2.08, 3.23 A)
&rst
ixpk= 310, nxpk= 20, iat= 303, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1502,1503,
&end
#
# 98 SER HA 98 SER HB+ 2.80 (# 311:20 Unique 2.38, 2.75 A)
&rst
ixpk= 311, nxpk= 20, iat=1500, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1502,1503,
&end
#
# 102 GLU HG+ 98 SER HB+ 4.50 (# 313:20 Unique 2.49, 3.71 A)
&rst
ixpk= 313, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1568,1569,
igr2=1502,1503,
&end
#
# 23 TYR HN 23 TYR HA 3.50 (# 315:20 Unique 2.83, 2.86 A)
&rst
ixpk= 315, nxpk= 20, iat= 333, 335, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 VAL HN 23 TYR HA 4.50 (# 316:20 Unique 3.11, 3.23 A)
&rst
ixpk= 316, nxpk= 20, iat= 374, 335, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:317 23 TYR HA 5.50 (# 317:20 Single Ambig)
&rst
ixpk= 317, nxpk= 20, iat= -1, 335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 390, 364,
&end
#
# 24 ALA HN 23 TYR HA 4.50 (# 318:20 Unique 3.54, 3.55 A)
&rst
ixpk= 318, nxpk= 20, iat= 354, 335, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 TYR HD 23 TYR HA 2.80 (# 319:20 Unique 2.50, 3.43 A)
&rst
ixpk= 319, nxpk= 20, iat= -1, 335, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 341, 350,
&end
#
# 23 TYR HB- 23 TYR HA 3.50 (# 320:20 Unique 2.55, 2.80 A)
&rst
ixpk= 320, nxpk= 20, iat= -1, 335, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 337, 338,
&end
#
# 23 TYR HB+ 23 TYR HA 3.50 (# 321:20 Unique 2.55, 2.80 A)
&rst
ixpk= 321, nxpk= 20, iat= -1, 335, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 337, 338,
&end
#
# 26 VAL HB 23 TYR HA 3.50 (# 322:20 Unique 2.52, 2.68 A)
&rst
ixpk= 322, nxpk= 20, iat= 378, 335, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:323 23 TYR HA 3.50 (# 323:20 Single Ambig)
&rst
ixpk= 323, nxpk= 20, iat= -1, 335, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1106,1107,1108, 318, 319,
&end
#
# 0 AMB 20-2:325 23 TYR HA 3.50 (# 325:20 Single Ambig)
&rst
ixpk= 325, nxpk= 20, iat= -1, 335, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 380, 381, 382, 384, 385, 386, 400, 401,
&end
#
# 0 AMB 20-2:326 23 TYR HA 5.50 (# 326:20 Single Ambig)
&rst
ixpk= 326, nxpk= 20, iat= -1, 335, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 403, 404, 405,1052,1053,1054,1056,1057,1058,
&end
#
# 65 GLY HN 63 ILE HA 5.50 (# 327:20 Unique 3.58, 3.71 A)
&rst
ixpk= 327, nxpk= 20, iat=1022, 986, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 LEU HN 63 ILE HA 5.50 (# 328:20 Unique 3.65, 3.66 A)
&rst
ixpk= 328, nxpk= 20, iat=1003, 986, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 ILE HG1+ 63 ILE HA 2.80 (# 329:20 Unique 2.75, 2.84 A)
&rst
ixpk= 329, nxpk= 20, iat= -1, 986, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 994, 995,
&end
#
# 63 ILE QG2 63 ILE HA 2.80 (# 330:20 Unique 2.55, 3.13 A)
&rst
ixpk= 330, nxpk= 20, iat= -1, 986, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 990, 991, 992,
&end
#
# 63 ILE HN 63 ILE HA 3.50 (# 331:20 Unique 2.86, 2.87 A)
&rst
ixpk= 331, nxpk= 20, iat= 984, 986, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 ILE HB 63 ILE HA 3.50 (# 332:20 Unique 3.03, 3.03 A)
&rst
ixpk= 332, nxpk= 20, iat= 988, 986, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 ILE HG1- 63 ILE HA 2.80 (# 333:20 Unique 2.75, 2.84 A)
&rst
ixpk= 333, nxpk= 20, iat= -1, 986, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 994, 995,
&end
#
# 53 TYR HB- 48 ALA MB 3.50 (# 334:20 Unique 2.30, 3.45 A)
&rst
ixpk= 334, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 831, 832,
igr2= 747, 748, 749,
&end
#
# 56 LEU HN 48 ALA MB 5.50 (# 335:20 Unique 4.69, 5.36 A)
&rst
ixpk= 335, nxpk= 20, iat= 877, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 747, 748, 749,
&end
#
# 0 AMB 20-2:339 48 ALA MB 4.50 (# 339:20 Single Ambig)
&rst
ixpk= 339, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 686, 727,
igr2= 747, 748, 749,
&end
#
# 53 TYR HB+ 48 ALA MB 2.80 (# 340:20 Unique 2.30, 3.45 A)
&rst
ixpk= 340, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 831, 832,
igr2= 747, 748, 749,
&end
#
# 49 MET HG- 48 ALA MB 4.50 (# 341:20 Unique 3.33, 4.92 A)
&rst
ixpk= 341, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 760, 761,
igr2= 747, 748, 749,
&end
#
# 48 ALA HN 48 ALA MB 2.80 (# 342:20 Unique 2.35, 2.86 A)
&rst
ixpk= 342, nxpk= 20, iat= 743, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 747, 748, 749,
&end
#
# 49 MET HN 48 ALA MB 2.80 (# 343:20 Unique 2.44, 3.35 A)
&rst
ixpk= 343, nxpk= 20, iat= 753, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 747, 748, 749,
&end
#
# 45 ASN HA 48 ALA MB 2.80 (# 344:20 Unique 2.30, 3.22 A)
&rst
ixpk= 344, nxpk= 20, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 747, 748, 749,
&end
#
# 0 AMB 20-2:345 48 ALA MB 3.50 (# 345:20 Single Ambig)
&rst
ixpk= 345, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 873, 755,
igr2= 747, 748, 749,
&end
#
# 48 ALA HA 48 ALA MB 2.80 (# 346:20 Unique 2.42, 2.66 A)
&rst
ixpk= 346, nxpk= 20, iat= 745, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 747, 748, 749,
&end
#
# 86 LEU MDX 48 ALA MB 4.50 (# 347:20 Unique 2.86, 5.48 A)
&rst
ixpk= 347, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1329,1330,1331,1333,1334,1335,
igr2= 747, 748, 749,
&end
#
# 27 ILE HN 27 ILE QG2 3.50 (# 348:20 Unique 4.07, 4.36 A)
&rst
ixpk= 348, nxpk= 20, iat= 390, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 396, 397, 398,
&end
#
# 28 ASN HN 27 ILE QG2 3.50 (# 350:20 Unique 2.94, 3.87 A)
&rst
ixpk= 350, nxpk= 20, iat= 409, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 396, 397, 398,
&end
#
# 70 GLN HE2+ 27 ILE QG2 4.50 (# 352:20 Unique 4.30, 6.01 A)
&rst
ixpk= 352, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1095,1096,
igr2= 396, 397, 398,
&end
#
# 28 ASN HD2- 27 ILE QG2 3.50 (# 353:20 Unique 3.05, 4.41 A)
&rst
ixpk= 353, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 418, 419,
igr2= 396, 397, 398,
&end
#
# 70 GLN HE2- 27 ILE QG2 5.50 (# 354:20 Unique 4.30, 6.01 A)
&rst
ixpk= 354, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1095,1096,
igr2= 396, 397, 398,
&end
#
# 28 ASN HA 27 ILE QG2 2.80 (# 355:20 Unique 2.97, 3.99 A)
&rst
ixpk= 355, nxpk= 20, iat= 411, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 396, 397, 398,
&end
#
# 24 ALA HA 27 ILE QG2 4.50 (# 356:20 Unique 3.54, 4.34 A)
&rst
ixpk= 356, nxpk= 20, iat= 356, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 396, 397, 398,
&end
#
# 27 ILE HA 27 ILE QG2 2.80 (# 357:20 Unique 2.69, 3.45 A)
&rst
ixpk= 357, nxpk= 20, iat= 392, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 396, 397, 398,
&end
#
# 27 ILE HB 27 ILE QG2 2.80 (# 358:20 Unique 2.39, 2.64 A)
&rst
ixpk= 358, nxpk= 20, iat= 394, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 396, 397, 398,
&end
#
# 27 ILE HG1+ 27 ILE QG2 2.80 (# 359:20 Unique 2.46, 3.53 A)
&rst
ixpk= 359, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 400, 401,
igr2= 396, 397, 398,
&end
#
# 27 ILE QD1 27 ILE QG2 2.80 (# 360:20 Unique 2.24, 3.85 A)
&rst
ixpk= 360, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 403, 404, 405,
igr2= 396, 397, 398,
&end
#
# 83 LYS HN 79 CYS HA 5.50 (# 362:20 Unique 3.82, 3.93 A)
&rst
ixpk= 362, nxpk= 20, iat=1264,1216, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:363 79 CYS HA 5.50 (# 363:20 Single Ambig)
&rst
ixpk= 363, nxpk= 20, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1254,1255,1256,1258,1259,1260,1156,1157,1158,1160,
1161,1162,
&end
#
# 79 CYS HN 79 CYS HA 3.50 (# 364:20 Unique 2.83, 2.84 A)
&rst
ixpk= 364, nxpk= 20, iat=1214,1216, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 82 LEU HN 79 CYS HA 4.50 (# 365:20 Unique 3.47, 3.57 A)
&rst
ixpk= 365, nxpk= 20, iat=1245,1216, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:366 79 CYS HA 5.50 (# 366:20 Single Ambig)
&rst
ixpk= 366, nxpk= 20, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1168, 676,
&end
#
# 79 CYS HB- 79 CYS HA 3.50 (# 367:20 Unique 2.52, 2.81 A)
&rst
ixpk= 367, nxpk= 20, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1218,1219,
&end
#
# 82 LEU HB- 79 CYS HA 2.80 (# 368:20 Unique 2.75, 3.28 A)
&rst
ixpk= 368, nxpk= 20, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1249,1250,
&end
#
# 79 CYS HB+ 79 CYS HA 2.80 (# 369:20 Unique 2.52, 2.81 A)
&rst
ixpk= 369, nxpk= 20, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1218,1219,
&end
#
# 0 AMB 20-2:370 79 CYS HA 4.50 (# 370:20 Single Ambig)
&rst
ixpk= 370, nxpk= 20, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1254,1255,1256,1258,1259,1260,1229,1230,1231,
&end
#
# 39 THR MG2 79 CYS HA 5.50 (# 371:20 Unique 4.50, 5.25 A)
&rst
ixpk= 371, nxpk= 20, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 607, 608, 609,
&end
#
# 0 AMB 20-2:372 79 CYS HA 4.50 (# 372:20 Single Ambig)
&rst
ixpk= 372, nxpk= 20, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1252, 747, 748, 749,
&end
#
# 0 AMB 20-2:373 79 CYS HA 5.50 (# 373:20 Single Ambig)
&rst
ixpk= 373, nxpk= 20, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1254,1255,1256,1258,1259,1260,1156,1157,1158,1160,
1161,1162,
&end
#
# 0 AMB 20-2:374 79 CYS HA 2.80 (# 374:20 Single Ambig)
&rst
ixpk= 374, nxpk= 20, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
&end
#
# 79 CYS HN 73 ILE QG2 5.50 (# 379:20 Unique 5.30, 5.98 A)
&rst
ixpk= 379, nxpk= 20, iat=1214, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1127,1128,1129,
&end
#
# 74 ALA HN 73 ILE QG2 3.50 (# 380:20 Unique 2.95, 4.04 A)
&rst
ixpk= 380, nxpk= 20, iat=1140, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1127,1128,1129,
&end
#
# 78 MET HN 73 ILE QG2 3.50 (# 381:20 Unique 2.69, 3.50 A)
&rst
ixpk= 381, nxpk= 20, iat=1197, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1127,1128,1129,
&end
#
# 73 ILE HN 73 ILE QG2 4.50 (# 382:20 Unique 4.07, 4.54 A)
&rst
ixpk= 382, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1127,1128,1129,
&end
#
# 28 ASN HD2+ 27 ILE QG2 3.50 (# 383:20 Unique 3.05, 4.41 A)
&rst
ixpk= 383, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 418, 419,
igr2= 396, 397, 398,
&end
#
# 23 TYR HH 73 ILE QG2 4.50 (# 384:20 Unique 2.36, 3.86 A)
&rst
ixpk= 384, nxpk= 20, iat= 346, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1127,1128,1129,
&end
#
# 23 TYR HE 73 ILE QG2 3.50 (# 385:20 Unique 2.48, 4.83 A)
&rst
ixpk= 385, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 343, 348,
igr2=1127,1128,1129,
&end
#
# 0 AMB 20-2:386 0 AMB 20-1:386 2.80 (# 386:20 Double Ambig)
&rst
ixpk= 386, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1758,1123,
igr2= 396, 397, 398,1127,1128,1129,
&end
#
# 0 AMB 20-2:387 73 ILE QG2 4.50 (# 387:20 Single Ambig)
&rst
ixpk= 387, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1064,1142,1104,
igr2=1127,1128,1129,
&end
#
# 0 AMB 20-2:388 0 AMB 20-1:388 2.80 (# 388:20 Double Ambig)
&rst
ixpk= 388, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1760,1761,1189,1190,
igr2= 396, 397, 398,1127,1128,1129,
&end
#
# 77 ASP HB+ 73 ILE QG2 2.80 (# 389:20 Unique 2.15, 3.88 A)
&rst
ixpk= 389, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1189,1190,
igr2=1127,1128,1129,
&end
#
# 0 AMB 20-2:390 0 AMB 20-1:390 2.80 (# 390:20 Double Ambig)
&rst
ixpk= 390, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1201,1202,1743,1744,
igr2=1127,1128,1129, 396, 397, 398,
&end
#
# 73 ILE HB 73 ILE QG2 2.80 (# 391:20 Unique 2.36, 2.66 A)
&rst
ixpk= 391, nxpk= 20, iat=1125, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1127,1128,1129,
&end
#
# 78 MET HB+ 73 ILE QG2 2.80 (# 392:20 Unique 2.36, 3.91 A)
&rst
ixpk= 392, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1201,1202,
igr2=1127,1128,1129,
&end
#
# 73 ILE HG1+ 73 ILE QG2 2.80 (# 393:20 Unique 2.36, 3.42 A)
&rst
ixpk= 393, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1131,1132,
igr2=1127,1128,1129,
&end
#
# 73 ILE HG1- 73 ILE QG2 2.80 (# 394:20 Unique 2.36, 3.42 A)
&rst
ixpk= 394, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1131,1132,
igr2=1127,1128,1129,
&end
#
# 80 ALA HN 79 CYS HA 5.50 (# 395:20 Unique 3.62, 3.62 A)
&rst
ixpk= 395, nxpk= 20, iat=1225,1216, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:396 79 CYS HA 4.50 (# 396:20 Single Ambig)
&rst
ixpk= 396, nxpk= 20, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 684, 688, 682, 690,
&end
#
# 82 LEU HB+ 79 CYS HA 4.50 (# 397:20 Unique 2.75, 3.28 A)
&rst
ixpk= 397, nxpk= 20, iat= -1,1216, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1249,1250,
&end
#
# 49 MET HN 49 MET ME 4.50 (# 398:20 Unique 3.75, 4.44 A)
&rst
ixpk= 398, nxpk= 20, iat= 753, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 764, 765, 766,
&end
#
# 42 ASN HA 49 MET ME 5.50 (# 399:20 Unique 5.41, 6.30 A)
&rst
ixpk= 399, nxpk= 20, iat= 650, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 764, 765, 766,
&end
#
# 46 LEU HA 49 MET ME 3.50 (# 400:20 Unique 2.50, 3.11 A)
&rst
ixpk= 400, nxpk= 20, iat= 710, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 764, 765, 766,
&end
#
# 45 ASN HB- 49 MET ME 4.50 (# 403:20 Unique 2.29, 3.89 A)
&rst
ixpk= 403, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 698, 699,
igr2= 764, 765, 766,
&end
#
# 0 AMB 20-2:404 49 MET ME 2.80 (# 404:20 Single Ambig)
&rst
ixpk= 404, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 698, 699, 760, 761,
igr2= 764, 765, 766,
&end
#
# 48 ALA MB 49 MET ME 4.50 (# 405:20 Unique 5.10, 7.06 A)
&rst
ixpk= 405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 747, 748, 749,
igr2= 764, 765, 766,
&end
#
# 0 AMB 20-2:406 49 MET ME 4.50 (# 406:20 Single Ambig)
&rst
ixpk= 406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 873, 755,
igr2= 764, 765, 766,
&end
#
# 0 AMB 20-2:408 49 MET ME 2.80 (# 408:20 Single Ambig)
&rst
ixpk= 408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 698, 699, 760, 761,
igr2= 764, 765, 766,
&end
#
# 46 LEU HB+ 49 MET ME 5.50 (# 409:20 Unique 4.86, 5.58 A)
&rst
ixpk= 409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 712, 713,
igr2= 764, 765, 766,
&end
#
# 46 LEU MDY 49 MET ME 3.50 (# 410:20 Unique 2.68, 5.30 A)
&rst
ixpk= 410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 717, 718, 719, 721, 722, 723,
igr2= 764, 765, 766,
&end
#
# 116 GLY HN 115 SER HB- 5.50 (# 435:20 Unique 2.15, 3.63 A)
&rst
ixpk= 435, nxpk= 20, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1771,1772,
&end
#
# 115 SER HA 115 SER HB- 2.80 (# 437:20 Unique 2.35, 2.68 A)
&rst
ixpk= 437, nxpk= 20, iat=1769, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1771,1772,
&end
#
# 117 VAL MGY 115 SER HB- 2.80 (# 438:20 Unique 2.18, 5.34 A)
&rst
ixpk= 438, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1791,1792,1793,1795,1796,1797,
igr2=1771,1772,
&end
#
# 14 ILE HN 13 THR HA 2.80 (# 439:20 Unique 2.20, 2.26 A)
&rst
ixpk= 439, nxpk= 20, iat= 179, 167, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 13 THR HN 13 THR HA 4.50 (# 440:20 Unique 2.85, 2.88 A)
&rst
ixpk= 440, nxpk= 20, iat= 165, 167, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 14 ILE HB 13 THR HA 5.50 (# 441:20 Unique 4.61, 4.70 A)
&rst
ixpk= 441, nxpk= 20, iat= 183, 167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 THR MG2 13 THR HA 2.80 (# 442:20 Unique 2.40, 3.08 A)
&rst
ixpk= 442, nxpk= 20, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 171, 172, 173,
&end
#
# 13 THR HB 13 THR HA 5.50 (# 443:20 Unique 3.05, 3.06 A)
&rst
ixpk= 443, nxpk= 20, iat= 169, 167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:445 68 SER HB- 2.80 (# 445:20 Single Ambig)
&rst
ixpk= 445, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1064,1142,
igr2=1066,1067,
&end
#
# 67 LEU HB- 68 SER HB- 5.50 (# 446:20 Unique 4.26, 5.66 A)
&rst
ixpk= 446, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1047,1048,
igr2=1066,1067,
&end
#
# 0 AMB 20-2:448 68 SER HB- 4.50 (# 448:20 Single Ambig)
&rst
ixpk= 448, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1007,1008,1125,
igr2=1066,1067,
&end
#
# 45 ASN HD2+ 55 PRO HA 5.50 (# 449:20 Unique 3.36, 3.71 A)
&rst
ixpk= 449, nxpk= 20, iat= -1, 873, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 703, 704,
&end
#
# 56 LEU HN 55 PRO HA 2.80 (# 450:20 Unique 2.17, 2.18 A)
&rst
ixpk= 450, nxpk= 20, iat= 877, 873, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 55 PRO HB- 55 PRO HA 2.80 (# 451:20 Unique 2.29, 2.52 A)
&rst
ixpk= 451, nxpk= 20, iat= -1, 873, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 870, 871,
&end
#
# 55 PRO HG- 55 PRO HA 3.50 (# 452:20 Unique 3.86, 3.97 A)
&rst
ixpk= 452, nxpk= 20, iat= -1, 873, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 867, 868,
&end
#
# 55 PRO HB+ 55 PRO HA 2.80 (# 453:20 Unique 2.29, 2.52 A)
&rst
ixpk= 453, nxpk= 20, iat= -1, 873, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 870, 871,
&end
#
# 75 VAL HN 68 SER HB- 4.50 (# 455:20 Unique 3.23, 4.01 A)
&rst
ixpk= 455, nxpk= 20, iat=1150, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1066,1067,
&end
#
# 68 SER HN 68 SER HB- 2.80 (# 456:20 Unique 2.37, 3.01 A)
&rst
ixpk= 456, nxpk= 20, iat=1062, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1066,1067,
&end
#
# 71 THR HN 68 SER HB- 5.50 (# 457:20 Unique 5.66, 5.82 A)
&rst
ixpk= 457, nxpk= 20, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1066,1067,
&end
#
# 69 ALA MB 68 SER HB- 4.50 (# 458:20 Unique 4.01, 5.53 A)
&rst
ixpk= 458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1077,1078,1079,
igr2=1066,1067,
&end
#
# 75 VAL MGX 68 SER HB- 2.80 (# 459:20 Unique 2.53, 5.50 A)
&rst
ixpk= 459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1156,1157,1158,1160,1161,1162,
igr2=1066,1067,
&end
#
# 69 ALA HN 68 SER HB- 3.50 (# 460:20 Unique 2.44, 3.19 A)
&rst
ixpk= 460, nxpk= 20, iat=1073, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1066,1067,
&end
#
# 23 TYR HE 68 SER HB- 4.50 (# 461:20 Unique 3.88, 5.12 A)
&rst
ixpk= 461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 343, 348,
igr2=1066,1067,
&end
#
# 56 LEU HB+ 55 PRO HA 5.50 (# 462:20 Unique 4.29, 4.56 A)
&rst
ixpk= 462, nxpk= 20, iat= -1, 873, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 881, 882,
&end
#
# 45 ASN HN 44 PHE HA 5.50 (# 463:20 Unique 3.60, 3.61 A)
&rst
ixpk= 463, nxpk= 20, iat= 694, 676, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 44 PHE HN 44 PHE HA 3.50 (# 464:20 Unique 2.81, 2.83 A)
&rst
ixpk= 464, nxpk= 20, iat= 674, 676, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:465 44 PHE HA 4.50 (# 465:20 Single Ambig)
&rst
ixpk= 465, nxpk= 20, iat= -1, 676, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 731,1218,1219,
&end
#
# 44 PHE HD 44 PHE HA 2.80 (# 466:20 Unique 2.49, 3.54 A)
&rst
ixpk= 466, nxpk= 20, iat= -1, 676, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 682, 690,
&end
#
# 44 PHE HB- 44 PHE HA 3.50 (# 467:20 Unique 2.39, 2.73 A)
&rst
ixpk= 467, nxpk= 20, iat= -1, 676, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 678, 679,
&end
#
# 44 PHE HB+ 44 PHE HA 2.80 (# 468:20 Unique 2.39, 2.73 A)
&rst
ixpk= 468, nxpk= 20, iat= -1, 676, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 678, 679,
&end
#
# 0 AMB 20-2:469 44 PHE HA 4.50 (# 469:20 Single Ambig)
&rst
ixpk= 469, nxpk= 20, iat= -1, 676, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1274,1275,1274,1275,
&end
#
# 83 LYS HG- 44 PHE HA 5.50 (# 470:20 Unique 3.04, 4.61 A)
&rst
ixpk= 470, nxpk= 20, iat= -1, 676, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1271,1272,
&end
#
# 39 THR MG2 44 PHE HA 5.50 (# 471:20 Unique 3.24, 4.19 A)
&rst
ixpk= 471, nxpk= 20, iat= -1, 676, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 607, 608, 609,
&end
#
# 0 AMB 20-2:472 44 PHE HA 4.50 (# 472:20 Single Ambig)
&rst
ixpk= 472, nxpk= 20, iat= -1, 676, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 733, 734, 735, 737, 738, 739, 747, 748, 749,
&end
#
# 47 VAL MGY 44 PHE HA 5.50 (# 473:20 Unique 3.64, 4.96 A)
&rst
ixpk= 473, nxpk= 20, iat= -1, 676, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:474 44 PHE HA 5.50 (# 474:20 Single Ambig)
&rst
ixpk= 474, nxpk= 20, iat= -1, 676, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 731,1218,1219,
&end
#
# 83 LYS HE- 44 PHE HA 5.50 (# 476:20 Unique 2.13, 4.89 A)
&rst
ixpk= 476, nxpk= 20, iat= -1, 676, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1277,1278,
&end
#
# 47 VAL HN 44 PHE HA 5.50 (# 477:20 Unique 3.51, 3.60 A)
&rst
ixpk= 477, nxpk= 20, iat= 727, 676, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 73 ILE HN 71 THR HA 5.50 (# 479:20 Unique 4.08, 4.61 A)
&rst
ixpk= 479, nxpk= 20, iat=1121,1102, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 4 THR HN 4 THR HA 5.50 (# 480:20 Unique 2.21, 2.71 A)
&rst
ixpk= 480, nxpk= 20, iat= 57, 59, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 71 THR HN 71 THR HA 3.50 (# 481:20 Unique 2.93, 2.94 A)
&rst
ixpk= 481, nxpk= 20, iat=1100,1102, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:482 0 AMB 20-1:482 2.80 (# 482:20 Double Ambig)
&rst
ixpk= 482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 102, 103, 104,1106,1107,1108,
igr2= 59,1102,
&end
#
# 0 AMB 20-2:483 71 THR HA 4.50 (# 483:20 Single Ambig)
&rst
ixpk= 483, nxpk= 20, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 380, 381, 382, 384, 385, 386, 400, 401,
&end
#
# 5 ALA HN 4 THR HA 4.50 (# 484:20 Unique 2.15, 3.14 A)
&rst
ixpk= 484, nxpk= 20, iat= 71, 59, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 118 THR HN 117 VAL HA 2.80 (# 485:20 Unique 2.18, 2.56 A)
&rst
ixpk= 485, nxpk= 20, iat=1801,1787, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 117 VAL HN 117 VAL HA 3.50 (# 486:20 Unique 2.71, 2.90 A)
&rst
ixpk= 486, nxpk= 20, iat=1785,1787, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 117 VAL HB 117 VAL HA 3.50 (# 487:20 Unique 2.35, 2.77 A)
&rst
ixpk= 487, nxpk= 20, iat=1789,1787, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 117 VAL MGX 117 VAL HA 2.80 (# 488:20 Unique 2.37, 3.34 A)
&rst
ixpk= 488, nxpk= 20, iat= -1,1787, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1791,1792,1793,1795,1796,1797,
&end
#
# 95 ILE HG1- 95 ILE HA 4.50 (# 491:20 Unique 2.41, 2.75 A)
&rst
ixpk= 491, nxpk= 20, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1463,1464,
&end
#
# 32 TRP HE1 95 ILE HA 5.50 (# 492:20 Unique 2.59, 2.94 A)
&rst
ixpk= 492, nxpk= 20, iat= 476,1455, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 LEU HA 95 ILE HA 4.50 (# 493:20 Unique 4.28, 4.33 A)
&rst
ixpk= 493, nxpk= 20, iat=1474,1455, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 ILE HB 95 ILE HA 4.50 (# 494:20 Unique 3.03, 3.04 A)
&rst
ixpk= 494, nxpk= 20, iat=1457,1455, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:495 95 ILE HA 4.50 (# 495:20 Single Ambig)
&rst
ixpk= 495, nxpk= 20, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 368, 369, 370,1479,
&end
#
# 95 ILE HG1+ 95 ILE HA 3.50 (# 496:20 Unique 2.41, 2.75 A)
&rst
ixpk= 496, nxpk= 20, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1463,1464,
&end
#
# 95 ILE QD1 95 ILE HA 4.50 (# 497:20 Unique 4.38, 4.66 A)
&rst
ixpk= 497, nxpk= 20, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1466,1467,1468,
&end
#
# 95 ILE QG2 95 ILE HA 2.80 (# 498:20 Unique 2.59, 3.23 A)
&rst
ixpk= 498, nxpk= 20, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1459,1460,1461,
&end
#
# 96 LEU HN 95 ILE HA 2.80 (# 499:20 Unique 2.14, 2.20 A)
&rst
ixpk= 499, nxpk= 20, iat=1472,1455, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 95 ILE HN 95 ILE HA 5.50 (# 500:20 Unique 2.94, 2.96 A)
&rst
ixpk= 500, nxpk= 20, iat=1453,1455, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 ILE QD1 95 ILE HA 5.50 (# 501:20 Unique 4.38, 4.66 A)
&rst
ixpk= 501, nxpk= 20, iat= -1,1455, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1466,1467,1468,
&end
#
# 4 THR MG2 4 THR HA 3.50 (# 502:20 Unique 2.36, 3.06 A)
&rst
ixpk= 502, nxpk= 20, iat= -1, 59, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 63, 64, 65,
&end
#
# 99 THR HN 99 THR HA 4.50 (# 503:20 Unique 2.91, 2.93 A)
&rst
ixpk= 503, nxpk= 20, iat=1509,1511, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 THR HA 99 THR HA 3.50 (# 504:20 Unique 2.69, 3.14 A)
&rst
ixpk= 504, nxpk= 20, iat=1441,1511, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 100 ILE HN 99 THR HA 5.50 (# 506:20 Unique 3.16, 3.23 A)
&rst
ixpk= 506, nxpk= 20, iat=1523,1511, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 THR MG2 99 THR HA 2.80 (# 507:20 Unique 2.42, 3.01 A)
&rst
ixpk= 507, nxpk= 20, iat= -1,1511, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1515,1516,1517,
&end
#
# 32 TRP HE1 95 ILE QD1 5.50 (# 510:20 Unique 3.82, 4.72 A)
&rst
ixpk= 510, nxpk= 20, iat= 476, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1466,1467,1468,
&end
#
# 95 ILE HN 95 ILE QD1 5.50 (# 511:20 Unique 4.55, 5.36 A)
&rst
ixpk= 511, nxpk= 20, iat=1453, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1466,1467,1468,
&end
#
# 0 AMB 20-2:512 95 ILE QD1 5.50 (# 512:20 Single Ambig)
&rst
ixpk= 512, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 309, 474,1301,
igr2=1466,1467,1468,
&end
#
# 32 TRP HZ2 95 ILE QD1 3.50 (# 513:20 Unique 2.71, 3.91 A)
&rst
ixpk= 513, nxpk= 20, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1466,1467,1468,
&end
#
# 0 AMB 20-2:514 95 ILE QD1 4.50 (# 514:20 Single Ambig)
&rst
ixpk= 514, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1455,1372,1373,
igr2=1466,1467,1468,
&end
#
# 0 AMB 20-2:515 95 ILE QD1 5.50 (# 515:20 Single Ambig)
&rst
ixpk= 515, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1544,1502,1503,
igr2=1466,1467,1468,
&end
#
# 0 AMB 20-2:516 95 ILE QD1 5.50 (# 516:20 Single Ambig)
&rst
ixpk= 516, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 492,1247,1372,1373,
igr2=1466,1467,1468,
&end
#
# 0 AMB 20-2:517 95 ILE QD1 5.50 (# 517:20 Single Ambig)
&rst
ixpk= 517, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 494, 495,1381,1382,
igr2=1466,1467,1468,
&end
#
# 95 ILE HG1- 95 ILE QD1 2.80 (# 518:20 Unique 2.35, 2.65 A)
&rst
ixpk= 518, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1463,1464,
igr2=1466,1467,1468,
&end
#
# 0 AMB 20-2:519 95 ILE QD1 5.50 (# 519:20 Single Ambig)
&rst
ixpk= 519, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1305,1306,1419,1420,1546,1547,
igr2=1466,1467,1468,
&end
#
# 0 AMB 20-2:520 95 ILE QD1 3.50 (# 520:20 Single Ambig)
&rst
ixpk= 520, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 323, 324, 325, 327, 328, 329, 494, 495,
igr2=1466,1467,1468,
&end
#
# 0 AMB 20-2:521 95 ILE QD1 3.50 (# 521:20 Single Ambig)
&rst
ixpk= 521, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 500, 504, 307,
igr2=1466,1467,1468,
&end
#
# 33 PHE HD 95 ILE QD1 4.50 (# 522:20 Unique 2.57, 4.39 A)
&rst
ixpk= 522, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 498, 506,
igr2=1466,1467,1468,
&end
#
# 90 MET HB- 95 ILE QD1 5.50 (# 523:20 Unique 2.91, 5.98 A)
&rst
ixpk= 523, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1381,1382,
igr2=1466,1467,1468,
&end
#
# 0 AMB 20-2:524 95 ILE QD1 2.80 (# 524:20 Single Ambig)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1=1388,1389,1390,1384,1385,
igr2=1466,1467,1468,
&end
#
# 95 ILE HB 95 ILE QD1 2.80 (# 525:20 Unique 2.46, 3.21 A)
&rst
ixpk= 525, nxpk= 20, iat=1457, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1466,1467,1468,
&end
#
# 0 AMB 20-2:526 95 ILE QD1 4.50 (# 526:20 Single Ambig)
&rst
ixpk= 526, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 368, 369, 370, 318, 319,
igr2=1466,1467,1468,
&end
#
# 0 AMB 20-2:527 95 ILE QD1 2.80 (# 527:20 Single Ambig)
&rst
ixpk= 527, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1310,1311,1312,1314,1315,1316,1551,1552,1553,1555,
1556,1557,
igr2=1466,1467,1468,
&end
#
# 95 ILE HG1+ 95 ILE QD1 2.80 (# 528:20 Unique 2.35, 2.65 A)
&rst
ixpk= 528, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1463,1464,
igr2=1466,1467,1468,
&end
#
# 85 LEU HG 95 ILE QD1 4.50 (# 529:20 Unique 2.66, 3.32 A)
&rst
ixpk= 529, nxpk= 20, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1466,1467,1468,
&end
#
# 95 ILE QG2 95 ILE QD1 3.50 (# 530:20 Unique 2.19, 3.70 A)
&rst
ixpk= 530, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1459,1460,1461,
igr2=1466,1467,1468,
&end
#
# 22 LEU MDX 95 ILE QD1 2.80 (# 531:20 Unique 2.32, 4.68 A)
&rst
ixpk= 531, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 323, 324, 325, 327, 328, 329,
igr2=1466,1467,1468,
&end
#
# 118 THR HN 118 THR HA 5.50 (# 535:20 Unique 2.74, 2.87 A)
&rst
ixpk= 535, nxpk= 20, iat=1801,1803, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 74 ALA HN 73 ILE QD1 5.50 (# 536:20 Unique 4.68, 6.28 A)
&rst
ixpk= 536, nxpk= 20, iat=1140, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1134,1135,1136,
&end
#
# 23 TYR HD 73 ILE QD1 5.50 (# 537:20 Unique 3.71, 6.88 A)
&rst
ixpk= 537, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 341, 350,
igr2=1134,1135,1136,
&end
#
# 11 ASP HN 10 THR HA 3.50 (# 538:20 Unique 2.11, 2.53 A)
&rst
ixpk= 538, nxpk= 20, iat= 139, 127, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 10 THR HN 10 THR HA 4.50 (# 539:20 Unique 2.25, 2.86 A)
&rst
ixpk= 539, nxpk= 20, iat= 125, 127, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 10 THR HB 10 THR HA 3.50 (# 540:20 Unique 2.59, 2.78 A)
&rst
ixpk= 540, nxpk= 20, iat= 129, 127, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 GLY HA- 10 THR HA 5.50 (# 541:20 Unique 4.29, 4.61 A)
&rst
ixpk= 541, nxpk= 20, iat= -1, 127, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 120, 121,
&end
#
# 10 THR MG2 10 THR HA 2.80 (# 543:20 Unique 2.38, 3.00 A)
&rst
ixpk= 543, nxpk= 20, iat= -1, 127, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 131, 132, 133,
&end
#
# 119 PHE HN 118 THR HA 3.50 (# 544:20 Unique 2.14, 2.43 A)
&rst
ixpk= 544, nxpk= 20, iat=1815,1803, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 THR HB 118 THR HA 2.80 (# 545:20 Unique 2.38, 2.59 A)
&rst
ixpk= 545, nxpk= 20, iat=1805,1803, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 118 THR MG2 118 THR HA 3.50 (# 546:20 Unique 2.28, 3.01 A)
&rst
ixpk= 546, nxpk= 20, iat= -1,1803, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1807,1808,1809,
&end
#
# 60 HIS HB+ 63 ILE QD1 5.50 (# 547:20 Unique 4.20, 5.72 A)
&rst
ixpk= 547, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 943, 944,
igr2= 997, 998, 999,
&end
#
# 0 AMB 20-2:548 73 ILE QD1 5.50 (# 548:20 Single Ambig)
&rst
ixpk= 548, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1199, 545,
igr2=1134,1135,1136,
&end
#
# 0 AMB 20-2:549 73 ILE QD1 5.50 (# 549:20 Single Ambig)
&rst
ixpk= 549, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 335, 512,
igr2=1134,1135,1136,
&end
#
# 0 AMB 20-2:551 73 ILE QD1 5.50 (# 551:20 Single Ambig)
&rst
ixpk= 551, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 343, 348, 500, 504,
igr2=1134,1135,1136,
&end
#
# 73 ILE HA 73 ILE QD1 4.50 (# 552:20 Unique 2.48, 4.31 A)
&rst
ixpk= 552, nxpk= 20, iat=1123, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1134,1135,1136,
&end
#
# 71 THR HB 73 ILE QD1 3.50 (# 553:20 Unique 2.15, 3.34 A)
&rst
ixpk= 553, nxpk= 20, iat=1104, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1134,1135,1136,
&end
#
# 73 ILE HB 73 ILE QD1 3.50 (# 555:20 Unique 2.35, 3.00 A)
&rst
ixpk= 555, nxpk= 20, iat=1125, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1134,1135,1136,
&end
#
# 0 AMB 20-2:556 73 ILE QD1 2.80 (# 556:20 Single Ambig)
&rst
ixpk= 556, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1131,1132, 449, 450,
igr2=1134,1135,1136,
&end
#
# 73 ILE HG1- 73 ILE QD1 2.80 (# 557:20 Unique 2.33, 2.63 A)
&rst
ixpk= 557, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1131,1132,
igr2=1134,1135,1136,
&end
#
# 34 LEU MDX 73 ILE QD1 2.80 (# 559:20 Unique 2.14, 4.36 A)
&rst
ixpk= 559, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 519, 520, 521, 523, 524, 525,
igr2=1134,1135,1136,
&end
#
# 73 ILE HN 73 ILE QD1 4.50 (# 560:20 Unique 3.12, 4.46 A)
&rst
ixpk= 560, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1134,1135,1136,
&end
#
# 13 THR HN 12 THR HA 2.80 (# 561:20 Unique 2.19, 2.26 A)
&rst
ixpk= 561, nxpk= 20, iat= 165, 153, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 52 ASN HD2- 12 THR HA 5.50 (# 562:20 Unique 2.42, 3.26 A)
&rst
ixpk= 562, nxpk= 20, iat= -1, 153, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 822, 823,
&end
#
# 52 ASN HD2+ 12 THR HA 4.50 (# 563:20 Unique 2.42, 3.26 A)
&rst
ixpk= 563, nxpk= 20, iat= -1, 153, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 822, 823,
&end
#
# 12 THR HB 12 THR HA 2.80 (# 564:20 Unique 2.71, 2.79 A)
&rst
ixpk= 564, nxpk= 20, iat= 155, 153, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 52 ASN HB- 12 THR HA 4.50 (# 565:20 Unique 3.85, 4.58 A)
&rst
ixpk= 565, nxpk= 20, iat= -1, 153, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 817, 818,
&end
#
# 12 THR MG2 12 THR HA 3.50 (# 567:20 Unique 2.31, 2.89 A)
&rst
ixpk= 567, nxpk= 20, iat= -1, 153, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 157, 158, 159,
&end
#
# 12 THR HN 12 THR HA 3.50 (# 568:20 Unique 2.71, 2.81 A)
&rst
ixpk= 568, nxpk= 20, iat= 151, 153, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 TRP HE3 21 TRP HA 5.50 (# 573:20 Unique 4.71, 4.82 A)
&rst
ixpk= 573, nxpk= 20, iat= 309, 292, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 TRP HD1 21 TRP HA 4.50 (# 574:20 Unique 2.97, 3.16 A)
&rst
ixpk= 574, nxpk= 20, iat= 298, 292, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:575 0 AMB 20-1:575 2.80 (# 575:20 Double Ambig)
&rst
ixpk= 575, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 358, 359, 360, 204, 205, 206,
igr2= 292, 200,
&end
#
# 110 VAL MGX 21 TRP HA 3.50 (# 576:20 Unique 3.12, 4.65 A)
&rst
ixpk= 576, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1689,1690,1691,1693,1694,1695,
&end
#
# 60 HIS HA 63 ILE QD1 2.80 (# 577:20 Unique 2.11, 3.20 A)
&rst
ixpk= 577, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 997, 998, 999,
&end
#
# 63 ILE HN 63 ILE QD1 3.50 (# 578:20 Unique 3.39, 4.11 A)
&rst
ixpk= 578, nxpk= 20, iat= 984, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 997, 998, 999,
&end
#
# 60 HIS HN 63 ILE QD1 4.50 (# 579:20 Unique 4.34, 5.36 A)
&rst
ixpk= 579, nxpk= 20, iat= 939, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 997, 998, 999,
&end
#
# 64 LEU HN 63 ILE QD1 5.50 (# 580:20 Unique 4.93, 5.74 A)
&rst
ixpk= 580, nxpk= 20, iat=1003, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 997, 998, 999,
&end
#
# 60 HIS HD2 63 ILE QD1 3.50 (# 581:20 Unique 3.73, 4.48 A)
&rst
ixpk= 581, nxpk= 20, iat= 952, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 997, 998, 999,
&end
#
# 63 ILE HB 63 ILE QD1 2.80 (# 583:20 Unique 2.39, 2.99 A)
&rst
ixpk= 583, nxpk= 20, iat= 988, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 997, 998, 999,
&end
#
# 63 ILE HG1+ 63 ILE QD1 2.80 (# 584:20 Unique 2.39, 2.66 A)
&rst
ixpk= 584, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 994, 995,
igr2= 997, 998, 999,
&end
#
# 63 ILE HG1- 63 ILE QD1 2.80 (# 585:20 Unique 2.39, 2.66 A)
&rst
ixpk= 585, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 994, 995,
igr2= 997, 998, 999,
&end
#
# 71 THR HN 73 ILE QD1 5.50 (# 586:20 Unique 4.93, 6.50 A)
&rst
ixpk= 586, nxpk= 20, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1134,1135,1136,
&end
#
# 102 GLU HA 100 ILE QD1 4.50 (# 587:20 Unique 3.87, 5.60 A)
&rst
ixpk= 587, nxpk= 20, iat=1563, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1536,1537,1538,
&end
#
# 21 TRP HN 21 TRP HA 2.80 (# 589:20 Unique 2.83, 2.83 A)
&rst
ixpk= 589, nxpk= 20, iat= 290, 292, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 21 TRP HB+ 21 TRP HA 2.80 (# 590:20 Unique 2.34, 2.69 A)
&rst
ixpk= 590, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 294, 295,
&end
#
# 100 ILE HN 100 ILE QD1 4.50 (# 591:20 Unique 4.72, 4.94 A)
&rst
ixpk= 591, nxpk= 20, iat=1523, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1536,1537,1538,
&end
#
# 98 SER HB- 100 ILE QD1 5.50 (# 592:20 Unique 4.18, 6.25 A)
&rst
ixpk= 592, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1502,1503,
igr2=1536,1537,1538,
&end
#
# 0 AMB 20-2:593 100 ILE QD1 4.50 (# 593:20 Single Ambig)
&rst
ixpk= 593, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1525,1513,
igr2=1536,1537,1538,
&end
#
# 0 AMB 20-2:594 100 ILE QD1 2.80 (# 594:20 Single Ambig)
&rst
ixpk= 594, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1527,1568,1569,
igr2=1536,1537,1538,
&end
#
# 100 ILE HG1+ 100 ILE QD1 2.80 (# 595:20 Unique 2.41, 2.66 A)
&rst
ixpk= 595, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1533,1534,
igr2=1536,1537,1538,
&end
#
# 100 ILE HG1- 100 ILE QD1 2.80 (# 596:20 Unique 2.41, 2.66 A)
&rst
ixpk= 596, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1533,1534,
igr2=1536,1537,1538,
&end
#
# 100 ILE QG2 100 ILE QD1 2.80 (# 597:20 Unique 2.27, 3.83 A)
&rst
ixpk= 597, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1529,1530,1531,
igr2=1536,1537,1538,
&end
#
# 23 TYR HD 27 ILE QD1 5.50 (# 598:20 Unique 4.32, 6.27 A)
&rst
ixpk= 598, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 341, 350,
igr2= 403, 404, 405,
&end
#
# 0 AMB 20-2:599 0 AMB 20-1:599 3.50 (# 599:20 Double Ambig)
&rst
ixpk= 599, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 390,1509,
igr2= 403, 404, 405,1536,1537,1538,
&end
#
# 24 ALA HN 27 ILE QD1 5.50 (# 600:20 Unique 4.07, 5.39 A)
&rst
ixpk= 600, nxpk= 20, iat= 354, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 403, 404, 405,
&end
#
# 0 AMB 20-2:601 27 ILE QD1 5.50 (# 601:20 Single Ambig)
&rst
ixpk= 601, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1083, 409,
igr2= 403, 404, 405,
&end
#
# 0 AMB 20-2:602 27 ILE QD1 5.50 (# 602:20 Single Ambig)
&rst
ixpk= 602, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1100, 418, 419,1043,
igr2= 403, 404, 405,
&end
#
# 70 GLN HE2+ 27 ILE QD1 4.50 (# 603:20 Unique 2.81, 4.37 A)
&rst
ixpk= 603, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1095,1096,
igr2= 403, 404, 405,
&end
#
# 70 GLN HE2- 27 ILE QD1 4.50 (# 604:20 Unique 2.81, 4.37 A)
&rst
ixpk= 604, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1095,1096,
igr2= 403, 404, 405,
&end
#
# 0 AMB 20-2:605 27 ILE QD1 5.50 (# 605:20 Single Ambig)
&rst
ixpk= 605, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1102,1104,
igr2= 403, 404, 405,
&end
#
# 0 AMB 20-2:606 27 ILE QD1 3.50 (# 606:20 Single Ambig)
&rst
ixpk= 606, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 356,1045,
igr2= 403, 404, 405,
&end
#
# 0 AMB 20-2:607 27 ILE QD1 4.50 (# 607:20 Single Ambig)
&rst
ixpk= 607, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1701, 392,1685,
igr2= 403, 404, 405,
&end
#
# 114 CYS HB- 27 ILE QD1 4.50 (# 608:20 Unique 2.40, 5.41 A)
&rst
ixpk= 608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1760,1761,
igr2= 403, 404, 405,
&end
#
# 114 CYS HB+ 27 ILE QD1 5.50 (# 609:20 Unique 2.40, 5.41 A)
&rst
ixpk= 609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1760,1761,
igr2= 403, 404, 405,
&end
#
# 23 TYR HB+ 27 ILE QD1 5.50 (# 610:20 Unique 2.64, 4.44 A)
&rst
ixpk= 610, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 337, 338,
igr2= 403, 404, 405,
&end
#
# 0 AMB 20-2:611 27 ILE QD1 5.50 (# 611:20 Single Ambig)
&rst
ixpk= 611, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1090,1091,1036,1037,
igr2= 403, 404, 405,
&end
#
# 70 GLN HB- 27 ILE QD1 4.50 (# 612:20 Unique 3.00, 4.59 A)
&rst
ixpk= 612, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1087,1088,
igr2= 403, 404, 405,
&end
#
# 27 ILE HB 27 ILE QD1 2.80 (# 613:20 Unique 2.48, 3.09 A)
&rst
ixpk= 613, nxpk= 20, iat= 394, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 403, 404, 405,
&end
#
# 0 AMB 20-2:614 0 AMB 20-1:614 2.80 (# 614:20 Double Ambig)
&rst
ixpk= 614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 400, 401,1527,
igr2= 403, 404, 405,1536,1537,1538,
&end
#
# 71 THR MG2 27 ILE QD1 2.80 (# 615:20 Unique 2.72, 4.33 A)
&rst
ixpk= 615, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1106,1107,1108,
igr2= 403, 404, 405,
&end
#
# 0 AMB 20-2:616 27 ILE QD1 2.80 (# 616:20 Single Ambig)
&rst
ixpk= 616, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.01, r4= 5.76,
igr1= 396, 397, 398,1052,1053,1054,1056,1057,1058, 400,
401,
igr2= 403, 404, 405,
&end
#
# 23 TYR HH 68 SER HA 5.50 (# 618:20 Unique 2.54, 2.89 A)
&rst
ixpk= 618, nxpk= 20, iat= 346,1064, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:619 68 SER HA 5.50 (# 619:20 Single Ambig)
&rst
ixpk= 619, nxpk= 20, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1125,1007,1008,
&end
#
# 54 GLU HG- 14 ILE HA 4.50 (# 620:20 Unique 2.78, 4.06 A)
&rst
ixpk= 620, nxpk= 20, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 855, 856,
&end
#
# 14 ILE HG1+ 14 ILE HA 4.50 (# 621:20 Unique 2.47, 2.80 A)
&rst
ixpk= 621, nxpk= 20, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 189, 190,
&end
#
# 14 ILE HG1- 14 ILE HA 3.50 (# 622:20 Unique 2.47, 2.80 A)
&rst
ixpk= 622, nxpk= 20, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 189, 190,
&end
#
# 14 ILE HN 14 ILE HA 4.50 (# 623:20 Unique 2.89, 2.93 A)
&rst
ixpk= 623, nxpk= 20, iat= 179, 181, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 THR HN 14 ILE HA 2.80 (# 624:20 Unique 2.20, 2.21 A)
&rst
ixpk= 624, nxpk= 20, iat= 198, 181, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:625 14 ILE HA 3.50 (# 625:20 Single Ambig)
&rst
ixpk= 625, nxpk= 20, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 183, 852, 853,
&end
#
# 14 ILE QG2 14 ILE HA 2.80 (# 626:20 Unique 2.44, 3.08 A)
&rst
ixpk= 626, nxpk= 20, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 185, 186, 187,
&end
#
# 68 SER HN 68 SER HA 3.50 (# 627:20 Unique 2.75, 2.77 A)
&rst
ixpk= 627, nxpk= 20, iat=1062,1064, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 ILE HN 68 SER HA 4.50 (# 628:20 Unique 3.09, 3.29 A)
&rst
ixpk= 628, nxpk= 20, iat=1121,1064, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 THR HN 68 SER HA 4.50 (# 629:20 Unique 3.70, 3.84 A)
&rst
ixpk= 629, nxpk= 20, iat=1100,1064, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 TYR HE 68 SER HA 2.80 (# 630:20 Unique 2.15, 3.57 A)
&rst
ixpk= 630, nxpk= 20, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 343, 348,
&end
#
# 68 SER HB- 68 SER HA 2.80 (# 631:20 Unique 2.39, 2.74 A)
&rst
ixpk= 631, nxpk= 20, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1066,1067,
&end
#
# 75 VAL MGX 68 SER HA 5.50 (# 632:20 Unique 4.64, 6.54 A)
&rst
ixpk= 632, nxpk= 20, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1156,1157,1158,1160,1161,1162,
&end
#
# 69 ALA HN 68 SER HA 5.50 (# 633:20 Unique 3.56, 3.58 A)
&rst
ixpk= 633, nxpk= 20, iat=1073,1064, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 LYS HB- 83 LYS HA 3.50 (# 635:20 Unique 2.38, 2.77 A)
&rst
ixpk= 635, nxpk= 20, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1268,1269,
&end
#
# 83 LYS HN 83 LYS HA 3.50 (# 636:20 Unique 2.80, 2.81 A)
&rst
ixpk= 636, nxpk= 20, iat=1264,1266, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 86 LEU HN 83 LYS HA 4.50 (# 637:20 Unique 3.14, 3.36 A)
&rst
ixpk= 637, nxpk= 20, iat=1320,1266, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:638 83 LYS HA 3.50 (# 638:20 Single Ambig)
&rst
ixpk= 638, nxpk= 20, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 684, 688,1286,
&end
#
# 83 LYS HB+ 83 LYS HA 2.80 (# 639:20 Unique 2.38, 2.77 A)
&rst
ixpk= 639, nxpk= 20, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1268,1269,
&end
#
# 83 LYS HG- 83 LYS HA 4.50 (# 640:20 Unique 2.31, 2.89 A)
&rst
ixpk= 640, nxpk= 20, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1271,1272,
&end
#
# 0 AMB 20-2:641 83 LYS HA 3.50 (# 641:20 Single Ambig)
&rst
ixpk= 641, nxpk= 20, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1324,1325,1327,
&end
#
# 47 VAL MGX 83 LYS HA 5.50 (# 642:20 Unique 2.96, 4.92 A)
&rst
ixpk= 642, nxpk= 20, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 733, 734, 735, 737, 738, 739,
&end
#
# 47 VAL MGY 83 LYS HA 3.50 (# 643:20 Unique 2.96, 4.92 A)
&rst
ixpk= 643, nxpk= 20, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 733, 734, 735, 737, 738, 739,
&end
#
# 86 LEU MDX 83 LYS HA 3.50 (# 644:20 Unique 2.32, 4.78 A)
&rst
ixpk= 644, nxpk= 20, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1329,1330,1331,1333,1334,1335,
&end
#
# 114 CYS HN 114 CYS HA 3.50 (# 645:20 Unique 2.26, 2.81 A)
&rst
ixpk= 645, nxpk= 20, iat=1756,1758, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 114 CYS HB- 114 CYS HA 2.80 (# 646:20 Unique 2.30, 2.61 A)
&rst
ixpk= 646, nxpk= 20, iat= -1,1758, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1760,1761,
&end
#
# 115 SER HN 114 CYS HA 4.50 (# 647:20 Unique 2.60, 3.42 A)
&rst
ixpk= 647, nxpk= 20, iat=1767,1758, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 108 PHE HN 108 PHE HA 2.80 (# 648:20 Unique 2.74, 2.77 A)
&rst
ixpk= 648, nxpk= 20, iat=1651,1653, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 108 PHE HB- 108 PHE HA 2.80 (# 649:20 Unique 2.46, 2.76 A)
&rst
ixpk= 649, nxpk= 20, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1655,1656,
&end
#
# 108 PHE HB+ 108 PHE HA 2.80 (# 650:20 Unique 2.46, 2.76 A)
&rst
ixpk= 650, nxpk= 20, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1655,1656,
&end
#
# 111 VAL MGX 108 PHE HA 3.50 (# 651:20 Unique 3.22, 4.11 A)
&rst
ixpk= 651, nxpk= 20, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1705,1706,1707,1709,1710,1711,
&end
#
# 109 ASP HN 108 PHE HA 4.50 (# 652:20 Unique 3.57, 3.59 A)
&rst
ixpk= 652, nxpk= 20, iat=1671,1653, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 54 GLU HG- 14 ILE QD1 5.50 (# 655:20 Unique 6.27, 7.50 A)
&rst
ixpk= 655, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 855, 856,
igr2= 192, 193, 194,
&end
#
# 14 ILE HN 14 ILE QD1 4.50 (# 656:20 Unique 4.07, 4.56 A)
&rst
ixpk= 656, nxpk= 20, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 192, 193, 194,
&end
#
# 15 THR HN 14 ILE QD1 5.50 (# 657:20 Unique 6.43, 6.71 A)
&rst
ixpk= 657, nxpk= 20, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 192, 193, 194,
&end
#
# 14 ILE HB 14 ILE QD1 2.80 (# 658:20 Unique 2.53, 3.19 A)
&rst
ixpk= 658, nxpk= 20, iat= 183, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 192, 193, 194,
&end
#
# 112 ARG HN 108 PHE HA 5.50 (# 659:20 Unique 3.80, 4.02 A)
&rst
ixpk= 659, nxpk= 20, iat=1715,1653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 VAL HN 108 PHE HA 4.50 (# 660:20 Unique 3.28, 3.42 A)
&rst
ixpk= 660, nxpk= 20, iat=1699,1653, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 103 ASP HB- 14 ILE QD1 5.50 (# 661:20 Unique 4.64, 6.59 A)
&rst
ixpk= 661, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1580,1581,
igr2= 192, 193, 194,
&end
#
# 17 ASN HD2+ 14 ILE QD1 4.50 (# 662:20 Unique 2.85, 3.93 A)
&rst
ixpk= 662, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 240, 241,
igr2= 192, 193, 194,
&end
#
# 17 ASN HD2- 14 ILE QD1 4.50 (# 663:20 Unique 2.85, 3.93 A)
&rst
ixpk= 663, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 240, 241,
igr2= 192, 193, 194,
&end
#
# 0 AMB 20-2:665 14 ILE QD1 4.50 (# 665:20 Single Ambig)
&rst
ixpk= 665, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 181, 155,
igr2= 192, 193, 194,
&end
#
# 14 ILE HG1+ 14 ILE QD1 2.80 (# 666:20 Unique 2.37, 2.65 A)
&rst
ixpk= 666, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 189, 190,
igr2= 192, 193, 194,
&end
#
# 106 THR MG2 14 ILE QD1 4.50 (# 667:20 Unique 4.93, 5.90 A)
&rst
ixpk= 667, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1629,1630,1631,
igr2= 192, 193, 194,
&end
#
# 116 GLY HN 115 SER HA 4.50 (# 669:20 Unique 2.30, 2.85 A)
&rst
ixpk= 669, nxpk= 20, iat=1778,1769, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 115 SER HN 115 SER HA 4.50 (# 670:20 Unique 2.21, 2.79 A)
&rst
ixpk= 670, nxpk= 20, iat=1767,1769, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 115 SER HB- 115 SER HA 2.80 (# 671:20 Unique 2.35, 2.68 A)
&rst
ixpk= 671, nxpk= 20, iat= -1,1769, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1771,1772,
&end
#
# 101 LEU HN 100 ILE HA 2.80 (# 673:20 Unique 2.27, 2.34 A)
&rst
ixpk= 673, nxpk= 20, iat=1542,1525, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:674 100 ILE HA 3.50 (# 674:20 Single Ambig)
&rst
ixpk= 674, nxpk= 20, iat= -1,1525, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1384,1385,1388,1389,1390,
&end
#
# 0 AMB 20-2:675 100 ILE HA 2.80 (# 675:20 Single Ambig)
&rst
ixpk= 675, nxpk= 20, iat= -1,1525, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1527,1549,
&end
#
# 100 ILE HG1+ 100 ILE HA 5.50 (# 676:20 Unique 3.65, 3.75 A)
&rst
ixpk= 676, nxpk= 20, iat= -1,1525, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1533,1534,
&end
#
# 100 ILE QG2 100 ILE HA 2.80 (# 677:20 Unique 2.24, 2.84 A)
&rst
ixpk= 677, nxpk= 20, iat= -1,1525, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1529,1530,1531,
&end
#
# 100 ILE QD1 100 ILE HA 4.50 (# 678:20 Unique 4.88, 5.15 A)
&rst
ixpk= 678, nxpk= 20, iat= -1,1525, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1536,1537,1538,
&end
#
# 73 ILE HB 73 ILE HA 5.50 (# 680:20 Unique 2.98, 2.99 A)
&rst
ixpk= 680, nxpk= 20, iat=1125,1123, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:681 73 ILE HA 4.50 (# 681:20 Single Ambig)
&rst
ixpk= 681, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1144,1145,1146, 514, 515,
&end
#
# 73 ILE QG2 73 ILE HA 2.80 (# 682:20 Unique 2.42, 3.31 A)
&rst
ixpk= 682, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1127,1128,1129,
&end
#
# 74 ALA HN 73 ILE HA 2.80 (# 683:20 Unique 2.13, 2.20 A)
&rst
ixpk= 683, nxpk= 20, iat=1140,1123, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 73 ILE HN 73 ILE HA 3.50 (# 684:20 Unique 2.88, 2.97 A)
&rst
ixpk= 684, nxpk= 20, iat=1121,1123, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 ILE HG1+ 73 ILE HA 4.50 (# 685:20 Unique 2.26, 2.68 A)
&rst
ixpk= 685, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1131,1132,
&end
#
# 73 ILE HG1- 73 ILE HA 4.50 (# 686:20 Unique 2.26, 2.68 A)
&rst
ixpk= 686, nxpk= 20, iat= -1,1123, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1131,1132,
&end
#
# 87 GLN HE2+ 84 GLU HA 5.50 (# 687:20 Unique 2.26, 3.94 A)
&rst
ixpk= 687, nxpk= 20, iat= -1,1288, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1351,1352,
&end
#
# 84 GLU HN 84 GLU HA 3.50 (# 688:20 Unique 2.85, 2.89 A)
&rst
ixpk= 688, nxpk= 20, iat=1286,1288, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 88 ASN HN 84 GLU HA 4.50 (# 689:20 Unique 3.30, 3.77 A)
&rst
ixpk= 689, nxpk= 20, iat=1356,1288, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:690 84 GLU HA 2.80 (# 690:20 Single Ambig)
&rst
ixpk= 690, nxpk= 20, iat= -1,1288, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1365,1366,1301,
&end
#
# 84 GLU HG+ 84 GLU HA 3.50 (# 691:20 Unique 2.35, 3.26 A)
&rst
ixpk= 691, nxpk= 20, iat= -1,1288, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1293,1294,
&end
#
# 84 GLU HB- 84 GLU HA 2.80 (# 692:20 Unique 2.44, 2.78 A)
&rst
ixpk= 692, nxpk= 20, iat= -1,1288, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1290,1291,
&end
#
# 44 PHE HD 41 LEU HA 5.50 (# 694:20 Unique 3.25, 4.81 A)
&rst
ixpk= 694, nxpk= 20, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 682, 690,
&end
#
# 112 ARG HG+ 112 ARG HA 3.50 (# 695:20 Unique 2.24, 2.94 A)
&rst
ixpk= 695, nxpk= 20, iat= -1,1717, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1722,1723,
&end
#
# 41 LEU HN 41 LEU HA 4.50 (# 696:20 Unique 2.79, 2.82 A)
&rst
ixpk= 696, nxpk= 20, iat= 629, 631, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:698 41 LEU HA 2.80 (# 698:20 Single Ambig)
&rst
ixpk= 698, nxpk= 20, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 636, 633, 634,
&end
#
# 0 AMB 20-2:699 0 AMB 20-1:699 2.80 (# 699:20 Double Ambig)
&rst
ixpk= 699, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 638, 639, 640, 642, 643, 644,1791,1792,1793,1795,
1796,1797,
igr2= 631,1717,
&end
#
# 0 AMB 20-2:700 0 AMB 20-1:700 2.80 (# 700:20 Double Ambig)
&rst
ixpk= 700, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 638, 639, 640, 642, 643, 644,1791,1792,1793,1795,
1796,1797,
igr2= 631,1717,
&end
#
# 45 ASN HN 41 LEU HA 5.50 (# 701:20 Unique 3.83, 4.00 A)
&rst
ixpk= 701, nxpk= 20, iat= 694, 631, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 73 ILE HB 73 ILE HA 4.50 (# 702:20 Unique 2.98, 2.99 A)
&rst
ixpk= 702, nxpk= 20, iat=1125,1123, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:703 0 AMB 20-1:703 3.50 (# 703:20 Double Ambig)
&rst
ixpk= 703, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 939, 792, 770,
igr2= 941, 755,
&end
#
# 0 AMB 20-2:704 0 AMB 20-1:704 5.50 (# 704:20 Double Ambig)
&rst
ixpk= 704, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1003, 800, 809,
igr2= 941, 755,
&end
#
# 53 TYR HN 49 MET HA 4.50 (# 705:20 Unique 2.09, 2.25 A)
&rst
ixpk= 705, nxpk= 20, iat= 827, 755, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 MET HN 49 MET HA 2.80 (# 706:20 Unique 2.79, 2.81 A)
&rst
ixpk= 706, nxpk= 20, iat= 753, 755, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 49 MET HG- 49 MET HA 3.50 (# 707:20 Unique 2.37, 2.69 A)
&rst
ixpk= 707, nxpk= 20, iat= -1, 755, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 760, 761,
&end
#
# 49 MET HG+ 49 MET HA 2.80 (# 708:20 Unique 2.37, 2.69 A)
&rst
ixpk= 708, nxpk= 20, iat= -1, 755, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 760, 761,
&end
#
# 0 AMB 20-2:709 0 AMB 20-1:709 2.80 (# 709:20 Double Ambig)
&rst
ixpk= 709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 757, 758, 988,
igr2= 755, 941,
&end
#
# 34 LEU HN 32 TRP HA 5.50 (# 710:20 Unique 3.78, 3.95 A)
&rst
ixpk= 710, nxpk= 20, iat= 510, 468, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 ASN HD2- 84 GLU HA 4.50 (# 711:20 Unique 2.58, 3.56 A)
&rst
ixpk= 711, nxpk= 20, iat= -1,1288, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1365,1366,
&end
#
# 112 ARG HB- 112 ARG HA 2.80 (# 712:20 Unique 2.42, 2.79 A)
&rst
ixpk= 712, nxpk= 20, iat= -1,1717, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1719,1720,
&end
#
# 111 VAL MGX 112 ARG HA 3.50 (# 713:20 Unique 2.98, 5.23 A)
&rst
ixpk= 713, nxpk= 20, iat= -1,1717, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1705,1706,1707,1709,1710,1711,
&end
#
# 0 AMB 20-2:714 41 LEU HA 3.50 (# 714:20 Single Ambig)
&rst
ixpk= 714, nxpk= 20, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 674, 648,
&end
#
# 76 LEU MDX 41 LEU HA 5.50 (# 715:20 Unique 3.36, 5.58 A)
&rst
ixpk= 715, nxpk= 20, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1175,1176,1177,1179,1180,1181,
&end
#
# 60 HIS HB- 60 HIS HA 3.50 (# 716:20 Unique 2.44, 2.74 A)
&rst
ixpk= 716, nxpk= 20, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 943, 944,
&end
#
# 60 HIS HB+ 60 HIS HA 3.50 (# 717:20 Unique 2.44, 2.74 A)
&rst
ixpk= 717, nxpk= 20, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 943, 944,
&end
#
# 60 HIS HD2 60 HIS HA 3.50 (# 718:20 Unique 3.11, 3.16 A)
&rst
ixpk= 718, nxpk= 20, iat= 952, 941, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 ILE QD1 60 HIS HA 2.80 (# 719:20 Unique 2.11, 3.20 A)
&rst
ixpk= 719, nxpk= 20, iat= -1, 941, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 997, 998, 999,
&end
#
# 70 GLN HG- 70 GLN HA 2.80 (# 722:20 Unique 2.39, 2.67 A)
&rst
ixpk= 722, nxpk= 20, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1090,1091,
&end
#
# 0 AMB 20-2:723 70 GLN HA 2.80 (# 723:20 Single Ambig)
&rst
ixpk= 723, nxpk= 20, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1090,1091,1087,1088,
&end
#
# 71 THR HN 70 GLN HA 3.50 (# 724:20 Unique 3.52, 3.56 A)
&rst
ixpk= 724, nxpk= 20, iat=1100,1085, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 GLN HB+ 70 GLN HA 2.80 (# 725:20 Unique 2.59, 2.82 A)
&rst
ixpk= 725, nxpk= 20, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1087,1088,
&end
#
# 0 AMB 20-2:726 70 GLN HA 4.50 (# 726:20 Single Ambig)
&rst
ixpk= 726, nxpk= 20, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1077,1078,1079,1106,1107,1108,
&end
#
# 0 AMB 20-2:728 50 LYS HA 2.80 (# 728:20 Single Ambig)
&rst
ixpk= 728, nxpk= 20, iat= -1, 772, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 770, 792,
&end
#
# 0 AMB 20-2:729 0 AMB 20-1:729 2.80 (# 729:20 Double Ambig)
&rst
ixpk= 729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 774, 775, 268,
igr2= 772, 263,
&end
#
# 51 TYR HN 51 TYR HA 3.50 (# 730:20 Unique 2.97, 2.98 A)
&rst
ixpk= 730, nxpk= 20, iat= 792, 794, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 51 TYR HD 51 TYR HA 4.50 (# 731:20 Unique 2.96, 3.65 A)
&rst
ixpk= 731, nxpk= 20, iat= -1, 794, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 800, 809,
&end
#
# 51 TYR HB- 51 TYR HA 2.80 (# 732:20 Unique 2.39, 2.72 A)
&rst
ixpk= 732, nxpk= 20, iat= -1, 794, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 796, 797,
&end
#
# 52 ASN HN 51 TYR HA 3.50 (# 733:20 Unique 2.97, 3.04 A)
&rst
ixpk= 733, nxpk= 20, iat= 813, 794, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 ASN HB+ 51 TYR HA 5.50 (# 734:20 Unique 4.33, 4.51 A)
&rst
ixpk= 734, nxpk= 20, iat= -1, 794, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 817, 818,
&end
#
# 31 ARG HN 32 TRP HA 5.50 (# 735:20 Unique 4.18, 4.90 A)
&rst
ixpk= 735, nxpk= 20, iat= 442, 468, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 TRP HN 32 TRP HA 2.80 (# 736:20 Unique 2.62, 2.83 A)
&rst
ixpk= 736, nxpk= 20, iat= 466, 468, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 TRP HB- 32 TRP HA 2.80 (# 737:20 Unique 2.33, 2.43 A)
&rst
ixpk= 737, nxpk= 20, iat= -1, 468, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 470, 471,
&end
#
# 32 TRP HB+ 32 TRP HA 2.80 (# 738:20 Unique 2.33, 2.43 A)
&rst
ixpk= 738, nxpk= 20, iat= -1, 468, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 470, 471,
&end
#
# 87 GLN HN 87 GLN HA 2.80 (# 739:20 Unique 2.83, 2.84 A)
&rst
ixpk= 739, nxpk= 20, iat=1339,1341, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 18 VAL HB 19 LEU HA 4.50 (# 740:20 Unique 4.30, 4.41 A)
&rst
ixpk= 740, nxpk= 20, iat= 249, 263, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 19 LEU HN 19 LEU HA 3.50 (# 741:20 Unique 2.86, 2.87 A)
&rst
ixpk= 741, nxpk= 20, iat= 261, 263, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 ASN HN 50 LYS HA 5.50 (# 742:20 Unique 3.61, 3.83 A)
&rst
ixpk= 742, nxpk= 20, iat= 813, 772, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:743 19 LEU HA 2.80 (# 743:20 Single Ambig)
&rst
ixpk= 743, nxpk= 20, iat= -1, 263, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 265, 266,1204,1205,
&end
#
# 50 LYS HB- 50 LYS HA 2.80 (# 744:20 Unique 2.46, 2.79 A)
&rst
ixpk= 744, nxpk= 20, iat= -1, 772, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 774, 775,
&end
#
# 50 LYS HG- 50 LYS HA 2.80 (# 745:20 Unique 2.31, 2.83 A)
&rst
ixpk= 745, nxpk= 20, iat= -1, 772, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 777, 778,
&end
#
# 0 AMB 20-2:746 19 LEU HA 2.80 (# 746:20 Single Ambig)
&rst
ixpk= 746, nxpk= 20, iat= -1, 263, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
&end
#
# 19 LEU HB- 16 LEU HA 5.50 (# 747:20 Unique 2.82, 3.77 A)
&rst
ixpk= 747, nxpk= 20, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 265, 266,
&end
#
# 16 LEU HN 16 LEU HA 3.50 (# 748:20 Unique 2.74, 2.75 A)
&rst
ixpk= 748, nxpk= 20, iat= 212, 214, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 LEU HB- 16 LEU HA 3.50 (# 749:20 Unique 2.47, 2.78 A)
&rst
ixpk= 749, nxpk= 20, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 216, 217,
&end
#
# 16 LEU HB+ 16 LEU HA 3.50 (# 750:20 Unique 2.47, 2.78 A)
&rst
ixpk= 750, nxpk= 20, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 216, 217,
&end
#
# 0 AMB 20-2:751 16 LEU HA 2.80 (# 751:20 Single Ambig)
&rst
ixpk= 751, nxpk= 20, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 3.87, r4= 4.62,
igr1= 221, 222, 223, 225, 226, 227, 219,
&end
#
# 0 AMB 20-2:752 16 LEU HA 2.80 (# 752:20 Single Ambig)
&rst
ixpk= 752, nxpk= 20, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
&end
#
# 19 LEU HB- 16 LEU HA 5.50 (# 753:20 Unique 2.82, 3.77 A)
&rst
ixpk= 753, nxpk= 20, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 265, 266,
&end
#
# 51 TYR HB+ 51 TYR HA 3.50 (# 754:20 Unique 2.39, 2.72 A)
&rst
ixpk= 754, nxpk= 20, iat= -1, 794, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 796, 797,
&end
#
# 88 ASN HN 87 GLN HA 4.50 (# 756:20 Unique 3.48, 3.54 A)
&rst
ixpk= 756, nxpk= 20, iat=1356,1341, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 TYR HE 87 GLN HA 5.50 (# 757:20 Unique 3.88, 5.04 A)
&rst
ixpk= 757, nxpk= 20, iat= -1,1341, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 802, 807,
&end
#
# 87 GLN HG- 87 GLN HA 3.50 (# 758:20 Unique 2.35, 2.79 A)
&rst
ixpk= 758, nxpk= 20, iat= -1,1341, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1346,1347,
&end
#
# 87 GLN HG+ 87 GLN HA 2.80 (# 759:20 Unique 2.35, 2.79 A)
&rst
ixpk= 759, nxpk= 20, iat= -1,1341, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1346,1347,
&end
#
# 87 GLN HB- 87 GLN HA 2.80 (# 760:20 Unique 2.48, 2.79 A)
&rst
ixpk= 760, nxpk= 20, iat= -1,1341, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1343,1344,
&end
#
# 49 MET HN 46 LEU HA 5.50 (# 761:20 Unique 3.85, 3.97 A)
&rst
ixpk= 761, nxpk= 20, iat= 753, 710, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 49 MET ME 46 LEU HA 2.80 (# 762:20 Unique 2.50, 3.11 A)
&rst
ixpk= 762, nxpk= 20, iat= -1, 710, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 764, 765, 766,
&end
#
# 46 LEU HN 46 LEU HA 2.80 (# 763:20 Unique 2.83, 2.83 A)
&rst
ixpk= 763, nxpk= 20, iat= 708, 710, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:764 0 AMB 20-1:764 4.50 (# 764:20 Double Ambig)
&rst
ixpk= 764, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 727,1365,1366,
igr2= 710,1341,
&end
#
# 0 AMB 20-2:765 46 LEU HA 2.80 (# 765:20 Single Ambig)
&rst
ixpk= 765, nxpk= 20, iat= -1, 710, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 712, 713, 715,
&end
#
# 46 LEU HB+ 46 LEU HA 2.80 (# 766:20 Unique 2.59, 2.82 A)
&rst
ixpk= 766, nxpk= 20, iat= -1, 710, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 712, 713,
&end
#
# 46 LEU MDY 46 LEU HA 2.80 (# 767:20 Unique 2.16, 3.85 A)
&rst
ixpk= 767, nxpk= 20, iat= -1, 710, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 717, 718, 719, 721, 722, 723,
&end
#
# 22 LEU HB- 19 LEU HA 2.80 (# 770:20 Unique 2.59, 3.50 A)
&rst
ixpk= 770, nxpk= 20, iat= -1, 263, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 318, 319,
&end
#
# 79 CYS HB- 76 LEU HA 3.50 (# 771:20 Unique 2.33, 3.18 A)
&rst
ixpk= 771, nxpk= 20, iat= -1,1168, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1218,1219,
&end
#
# 0 AMB 20-2:772 76 LEU HA 2.80 (# 772:20 Single Ambig)
&rst
ixpk= 772, nxpk= 20, iat= -1,1168, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1170,1171,1173,
&end
#
# 62 ASP HN 58 GLN HA 5.50 (# 773:20 Unique 3.91, 3.98 A)
&rst
ixpk= 773, nxpk= 20, iat= 972, 912, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:774 58 GLN HA 2.80 (# 774:20 Single Ambig)
&rst
ixpk= 774, nxpk= 20, iat= -1, 912, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 960, 917, 918,
&end
#
# 58 GLN HB- 58 GLN HA 2.80 (# 775:20 Unique 2.44, 2.75 A)
&rst
ixpk= 775, nxpk= 20, iat= -1, 912, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 914, 915,
&end
#
# 58 GLN HB+ 58 GLN HA 2.80 (# 776:20 Unique 2.44, 2.75 A)
&rst
ixpk= 776, nxpk= 20, iat= -1, 912, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 914, 915,
&end
#
# 0 AMB 20-2:777 58 GLN HA 2.80 (# 777:20 Single Ambig)
&rst
ixpk= 777, nxpk= 20, iat= -1, 912, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 41 LEU MDX 58 GLN HA 3.50 (# 778:20 Unique 2.99, 4.90 A)
&rst
ixpk= 778, nxpk= 20, iat= -1, 912, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 79 CYS HB+ 76 LEU HA 2.80 (# 779:20 Unique 2.33, 3.18 A)
&rst
ixpk= 779, nxpk= 20, iat= -1,1168, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1218,1219,
&end
#
# 0 AMB 20-2:780 76 LEU HA 4.50 (# 780:20 Single Ambig)
&rst
ixpk= 780, nxpk= 20, iat= -1,1168, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1229,1230,1231,1144,1145,1146,
&end
#
# 76 LEU HN 76 LEU HA 3.50 (# 781:20 Unique 2.80, 2.84 A)
&rst
ixpk= 781, nxpk= 20, iat=1166,1168, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 CYS HN 76 LEU HA 4.50 (# 782:20 Unique 3.22, 3.36 A)
&rst
ixpk= 782, nxpk= 20, iat=1214,1168, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:783 76 LEU HA 4.50 (# 783:20 Single Ambig)
&rst
ixpk= 783, nxpk= 20, iat= -1,1168, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 607, 608, 609, 593, 594, 595,
&end
#
# 76 LEU MDY 76 LEU HA 2.80 (# 784:20 Unique 2.15, 3.68 A)
&rst
ixpk= 784, nxpk= 20, iat= -1,1168, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1175,1176,1177,1179,1180,1181,
&end
#
# 58 GLN HE2+ 58 GLN HA 5.50 (# 785:20 Unique 2.70, 3.20 A)
&rst
ixpk= 785, nxpk= 20, iat= -1, 912, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 922, 923,
&end
#
# 59 ASP HN 58 GLN HA 5.50 (# 786:20 Unique 3.56, 3.59 A)
&rst
ixpk= 786, nxpk= 20, iat= 927, 912, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 VAL HN 58 GLN HA 4.50 (# 787:20 Unique 3.22, 3.39 A)
&rst
ixpk= 787, nxpk= 20, iat= 956, 912, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 LEU MDY 22 LEU HA 5.50 (# 788:20 Unique 2.14, 3.75 A)
&rst
ixpk= 788, nxpk= 20, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:789 22 LEU HA 2.80 (# 789:20 Single Ambig)
&rst
ixpk= 789, nxpk= 20, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 318, 319, 368, 369, 370,
&end
#
# 22 LEU MDX 22 LEU HA 2.80 (# 790:20 Unique 2.14, 3.75 A)
&rst
ixpk= 790, nxpk= 20, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 25 ALA HN 22 LEU HA 3.50 (# 791:20 Unique 3.04, 3.25 A)
&rst
ixpk= 791, nxpk= 20, iat= 364, 316, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 120 GLN HN 119 PHE HA 2.80 (# 792:20 Unique 2.19, 2.54 A)
&rst
ixpk= 792, nxpk= 20, iat=1835,1817, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 119 PHE HB- 119 PHE HA 3.50 (# 794:20 Unique 2.38, 2.70 A)
&rst
ixpk= 794, nxpk= 20, iat= -1,1817, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1819,1820,
&end
#
# 0 AMB 20-2:795 62 ASP HA 5.50 (# 795:20 Single Ambig)
&rst
ixpk= 795, nxpk= 20, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1030,1031, 912,
&end
#
# 112 ARG HB- 113 GLN HA 5.50 (# 796:20 Unique 4.29, 4.98 A)
&rst
ixpk= 796, nxpk= 20, iat= -1,1741, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1719,1720,
&end
#
# 113 GLN HN 113 GLN HA 2.80 (# 797:20 Unique 2.77, 2.83 A)
&rst
ixpk= 797, nxpk= 20, iat=1739,1741, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 113 GLN HG- 113 GLN HA 3.50 (# 798:20 Unique 2.49, 2.86 A)
&rst
ixpk= 798, nxpk= 20, iat= -1,1741, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1746,1747,
&end
#
# 113 GLN HG+ 113 GLN HA 2.80 (# 799:20 Unique 2.49, 2.86 A)
&rst
ixpk= 799, nxpk= 20, iat= -1,1741, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1746,1747,
&end
#
# 113 GLN HB- 113 GLN HA 2.80 (# 800:20 Unique 2.50, 2.80 A)
&rst
ixpk= 800, nxpk= 20, iat= -1,1741, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1743,1744,
&end
#
# 85 LEU HG 85 LEU HA 4.50 (# 801:20 Unique 3.65, 3.68 A)
&rst
ixpk= 801, nxpk= 20, iat=1308,1303, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 85 LEU HB+ 85 LEU HA 2.80 (# 802:20 Unique 2.52, 2.83 A)
&rst
ixpk= 802, nxpk= 20, iat= -1,1303, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1305,1306,
&end
#
# 85 LEU MDY 85 LEU HA 2.80 (# 803:20 Unique 2.17, 3.24 A)
&rst
ixpk= 803, nxpk= 20, iat= -1,1303, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 22 LEU HB- 22 LEU HA 3.50 (# 805:20 Unique 2.47, 2.78 A)
&rst
ixpk= 805, nxpk= 20, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 318, 319,
&end
#
# 119 PHE HN 119 PHE HA 5.50 (# 806:20 Unique 2.21, 2.78 A)
&rst
ixpk= 806, nxpk= 20, iat=1815,1817, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 PHE HB+ 119 PHE HA 3.50 (# 810:20 Unique 2.38, 2.70 A)
&rst
ixpk= 810, nxpk= 20, iat= -1,1817, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1819,1820,
&end
#
# 86 LEU HN 85 LEU HA 5.50 (# 811:20 Unique 3.45, 3.54 A)
&rst
ixpk= 811, nxpk= 20, iat=1320,1303, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 85 LEU HG 85 LEU HA 4.50 (# 812:20 Unique 3.65, 3.68 A)
&rst
ixpk= 812, nxpk= 20, iat=1308,1303, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 85 LEU HN 82 LEU HA 3.50 (# 813:20 Unique 3.06, 3.17 A)
&rst
ixpk= 813, nxpk= 20, iat=1301,1247, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:814 82 LEU HA 5.50 (# 814:20 Single Ambig)
&rst
ixpk= 814, nxpk= 20, iat= -1,1247, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1286, 684, 688,
&end
#
# 85 LEU MDY 82 LEU HA 3.50 (# 815:20 Unique 2.19, 5.07 A)
&rst
ixpk= 815, nxpk= 20, iat= -1,1247, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 0 AMB 20-2:816 0 AMB 20-1:816 4.50 (# 816:20 Double Ambig)
&rst
ixpk= 816, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1603,1264,
igr2=1590,1247,
&end
#
# 0 AMB 20-2:817 82 LEU HA 3.50 (# 817:20 Single Ambig)
&rst
ixpk= 817, nxpk= 20, iat= -1,1247, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1245,1320,
&end
#
# 104 GLU HN 104 GLU HA 2.80 (# 818:20 Unique 2.83, 2.90 A)
&rst
ixpk= 818, nxpk= 20, iat=1588,1590, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 17 ASN HD2- 104 GLU HA 5.50 (# 819:20 Unique 3.21, 3.98 A)
&rst
ixpk= 819, nxpk= 20, iat= -1,1590, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 240, 241,
&end
#
# 0 AMB 20-2:820 82 LEU HA 2.80 (# 820:20 Single Ambig)
&rst
ixpk= 820, nxpk= 20, iat= -1,1247, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1305,1306,1249,1250,
&end
#
# 104 GLU HB+ 104 GLU HA 2.80 (# 821:20 Unique 2.44, 2.77 A)
&rst
ixpk= 821, nxpk= 20, iat= -1,1590, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1592,1593,
&end
#
# 82 LEU MDX 82 LEU HA 2.80 (# 822:20 Unique 2.13, 3.51 A)
&rst
ixpk= 822, nxpk= 20, iat= -1,1247, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1254,1255,1256,1258,1259,1260,
&end
#
# 85 LEU HG 82 LEU HA 4.50 (# 823:20 Unique 3.46, 3.61 A)
&rst
ixpk= 823, nxpk= 20, iat=1308,1247, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:824 104 GLU HA 2.80 (# 824:20 Single Ambig)
&rst
ixpk= 824, nxpk= 20, iat= -1,1590, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1595,1596,1592,1593,
&end
#
# 43 ASP HN 43 ASP HA 2.80 (# 825:20 Unique 2.84, 2.86 A)
&rst
ixpk= 825, nxpk= 20, iat= 662, 664, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 44 PHE HN 43 ASP HA 4.50 (# 826:20 Unique 3.59, 3.59 A)
&rst
ixpk= 826, nxpk= 20, iat= 674, 664, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 ASP HB+ 43 ASP HA 2.80 (# 827:20 Unique 2.38, 2.75 A)
&rst
ixpk= 827, nxpk= 20, iat= -1, 664, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 666, 667,
&end
#
# 0 AMB 20-2:828 0 AMB 20-1:828 2.80 (# 828:20 Double Ambig)
&rst
ixpk= 828, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 717, 718, 719, 721, 722, 723, 962, 963, 964, 966,
967, 968, 962, 963, 964, 966, 967, 968,
igr2= 664, 974,
&end
#
# 0 AMB 20-2:829 0 AMB 20-1:829 2.80 (# 829:20 Double Ambig)
&rst
ixpk= 829, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 666, 667, 976, 977,
igr2= 664, 974,
&end
#
# 62 ASP HN 62 ASP HA 2.80 (# 830:20 Unique 2.80, 2.81 A)
&rst
ixpk= 830, nxpk= 20, iat= 972, 974, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 65 GLY HA+ 62 ASP HA 5.50 (# 831:20 Unique 3.55, 3.99 A)
&rst
ixpk= 831, nxpk= 20, iat= -1, 974, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1024,1025,
&end
#
# 62 ASP HB- 0 AMB 20-1:832 2.80 (# 832:20 Single Ambig)
&rst
ixpk= 832, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 976, 977,
igr2= 974, 929,
&end
#
# 70 GLN HN 67 LEU HA 4.50 (# 835:20 Unique 3.18, 3.39 A)
&rst
ixpk= 835, nxpk= 20, iat=1083,1045, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:836 67 LEU HA 2.80 (# 836:20 Single Ambig)
&rst
ixpk= 836, nxpk= 20, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1050,1106,1107,1108,
&end
#
# 67 LEU HB- 67 LEU HA 3.50 (# 837:20 Unique 2.48, 2.77 A)
&rst
ixpk= 837, nxpk= 20, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1047,1048,
&end
#
# 67 LEU HB+ 67 LEU HA 2.80 (# 838:20 Unique 2.48, 2.77 A)
&rst
ixpk= 838, nxpk= 20, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1047,1048,
&end
#
# 0 AMB 20-2:839 67 LEU HA 3.50 (# 839:20 Single Ambig)
&rst
ixpk= 839, nxpk= 20, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1043,1100,
&end
#
# 0 AMB 20-2:840 67 LEU HA 2.80 (# 840:20 Single Ambig)
&rst
ixpk= 840, nxpk= 20, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1052,1053,1054,1056,1057,1058, 403, 404, 405,
&end
#
# 0 AMB 20-2:841 43 ASP HA 3.50 (# 841:20 Single Ambig)
&rst
ixpk= 841, nxpk= 20, iat= -1, 664, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 712, 713, 715,
&end
#
# 0 AMB 20-2:842 0 AMB 20-1:842 4.50 (# 842:20 Double Ambig)
&rst
ixpk= 842, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1214, 694,
igr2=1199, 664,
&end
#
# 59 ASP HN 59 ASP HA 2.80 (# 843:20 Unique 2.86, 2.87 A)
&rst
ixpk= 843, nxpk= 20, iat= 927, 929, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 59 ASP HB- 59 ASP HA 2.80 (# 844:20 Unique 2.44, 2.74 A)
&rst
ixpk= 844, nxpk= 20, iat= -1, 929, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 931, 932,
&end
#
# 60 HIS HN 59 ASP HA 4.50 (# 845:20 Unique 3.60, 3.61 A)
&rst
ixpk= 845, nxpk= 20, iat= 939, 929, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 ASP HB+ 59 ASP HA 2.80 (# 846:20 Unique 2.44, 2.74 A)
&rst
ixpk= 846, nxpk= 20, iat= -1, 929, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 931, 932,
&end
#
# 70 GLN HB- 67 LEU HA 3.50 (# 847:20 Unique 2.31, 3.45 A)
&rst
ixpk= 847, nxpk= 20, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1087,1088,
&end
#
# 101 LEU MDX 86 LEU HA 5.50 (# 848:20 Unique 3.05, 5.42 A)
&rst
ixpk= 848, nxpk= 20, iat= -1,1322, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1551,1552,1553,1555,1556,1557,
&end
#
# 90 MET HB+ 90 MET HA 2.80 (# 849:20 Unique 2.25, 2.72 A)
&rst
ixpk= 849, nxpk= 20, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1381,1382,
&end
#
# 90 MET HB- 90 MET HA 2.80 (# 850:20 Unique 2.25, 2.72 A)
&rst
ixpk= 850, nxpk= 20, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1381,1382,
&end
#
# 112 ARG HN 109 ASP HA 4.50 (# 851:20 Unique 2.87, 3.26 A)
&rst
ixpk= 851, nxpk= 20, iat=1715,1673, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:852 109 ASP HA 5.50 (# 852:20 Single Ambig)
&rst
ixpk= 852, nxpk= 20, iat= -1,1673, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1751,1752,1651,
&end
#
# 0 AMB 20-2:853 109 ASP HA 2.80 (# 853:20 Single Ambig)
&rst
ixpk= 853, nxpk= 20, iat= -1,1673, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1675,1676,1725,1726,
&end
#
# 110 VAL HN 109 ASP HA 3.50 (# 854:20 Unique 3.55, 3.56 A)
&rst
ixpk= 854, nxpk= 20, iat=1683,1673, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 VAL MGY 109 ASP HA 5.50 (# 855:20 Unique 5.23, 6.93 A)
&rst
ixpk= 855, nxpk= 20, iat= -1,1673, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1705,1706,1707,1709,1710,1711,
&end
#
# 81 ALA HN 78 MET HA 3.50 (# 856:20 Unique 3.05, 3.16 A)
&rst
ixpk= 856, nxpk= 20, iat=1235,1199, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 82 LEU HN 78 MET HA 5.50 (# 857:20 Unique 3.76, 3.89 A)
&rst
ixpk= 857, nxpk= 20, iat=1245,1199, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 78 MET HN 78 MET HA 2.80 (# 858:20 Unique 2.83, 2.84 A)
&rst
ixpk= 858, nxpk= 20, iat=1197,1199, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:859 78 MET HA 2.80 (# 859:20 Single Ambig)
&rst
ixpk= 859, nxpk= 20, iat= -1,1199, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1=1239,1240,1241,1201,1202,
&end
#
# 0 AMB 20-2:860 78 MET HA 2.80 (# 860:20 Single Ambig)
&rst
ixpk= 860, nxpk= 20, iat= -1,1199, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1201,1202,1204,1205,
&end
#
# 0 AMB 20-2:861 78 MET HA 5.50 (# 861:20 Single Ambig)
&rst
ixpk= 861, nxpk= 20, iat= -1,1199, r1= 0.00, r2= 1.80, r3= 8.20, r4= 8.95,
igr1=1229,1230,1231, 514, 515,1254,1255,1256,1258,1259,
1260,
&end
#
# 87 GLN HN 86 LEU HA 5.50 (# 862:20 Unique 3.59, 3.61 A)
&rst
ixpk= 862, nxpk= 20, iat=1339,1322, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 86 LEU HN 86 LEU HA 3.50 (# 863:20 Unique 2.81, 2.93 A)
&rst
ixpk= 863, nxpk= 20, iat=1320,1322, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:864 86 LEU HA 2.80 (# 864:20 Single Ambig)
&rst
ixpk= 864, nxpk= 20, iat= -1,1322, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1327,1324,1325,
&end
#
# 82 LEU MDX 86 LEU HA 5.50 (# 865:20 Unique 4.58, 6.16 A)
&rst
ixpk= 865, nxpk= 20, iat= -1,1322, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1254,1255,1256,1258,1259,1260,
&end
#
# 101 LEU MDX 86 LEU HA 5.50 (# 866:20 Unique 3.05, 5.42 A)
&rst
ixpk= 866, nxpk= 20, iat= -1,1322, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1551,1552,1553,1555,1556,1557,
&end
#
# 86 LEU MDY 86 LEU HA 2.80 (# 867:20 Unique 2.10, 3.81 A)
&rst
ixpk= 867, nxpk= 20, iat= -1,1322, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1329,1330,1331,1333,1334,1335,
&end
#
# 86 LEU HB+ 86 LEU HA 2.80 (# 868:20 Unique 2.46, 2.79 A)
&rst
ixpk= 868, nxpk= 20, iat= -1,1322, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1324,1325,
&end
#
# 90 MET HG- 90 MET HA 3.50 (# 870:20 Unique 2.17, 2.91 A)
&rst
ixpk= 870, nxpk= 20, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1384,1385,
&end
#
# 85 LEU MDY 90 MET HA 3.50 (# 871:20 Unique 2.12, 4.27 A)
&rst
ixpk= 871, nxpk= 20, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 0 AMB 20-2:872 78 MET HA 4.50 (# 872:20 Single Ambig)
&rst
ixpk= 872, nxpk= 20, iat= -1,1199, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 519, 520, 521, 523, 524, 525, 323, 324, 325, 327,
328, 329,
&end
#
# 42 ASN HN 42 ASN HA 2.80 (# 873:20 Unique 2.84, 2.86 A)
&rst
ixpk= 873, nxpk= 20, iat= 648, 650, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 42 ASN HB- 42 ASN HA 2.80 (# 874:20 Unique 2.48, 2.76 A)
&rst
ixpk= 874, nxpk= 20, iat= -1, 650, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 652, 653,
&end
#
# 0 AMB 20-2:875 42 ASN HA 5.50 (# 875:20 Single Ambig)
&rst
ixpk= 875, nxpk= 20, iat= -1, 650, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 633, 634, 636,
&end
#
# 3 GLN HN 3 GLN HA 5.50 (# 876:20 Unique 2.24, 2.85 A)
&rst
ixpk= 876, nxpk= 20, iat= 40, 42, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 ASN HN 42 ASN HA 3.50 (# 877:20 Unique 3.12, 3.18 A)
&rst
ixpk= 877, nxpk= 20, iat= 694, 650, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 ASN HD2- 42 ASN HA 4.50 (# 878:20 Unique 2.88, 3.54 A)
&rst
ixpk= 878, nxpk= 20, iat= -1, 650, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 703, 704,
&end
#
# 45 ASN HB- 42 ASN HA 2.80 (# 879:20 Unique 2.28, 3.21 A)
&rst
ixpk= 879, nxpk= 20, iat= -1, 650, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 698, 699,
&end
#
# 3 GLN HB- 3 GLN HA 2.80 (# 880:20 Unique 2.39, 2.76 A)
&rst
ixpk= 880, nxpk= 20, iat= -1, 42, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 44, 45,
&end
#
# 4 THR HN 3 GLN HA 4.50 (# 881:20 Unique 2.20, 2.85 A)
&rst
ixpk= 881, nxpk= 20, iat= 57, 42, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 2 ARG HB- 2 ARG HA 3.50 (# 882:20 Unique 2.38, 2.62 A)
&rst
ixpk= 882, nxpk= 20, iat= -1, 18, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 20, 21,
&end
#
# 2 ARG HB+ 2 ARG HA 4.50 (# 883:20 Unique 2.38, 2.62 A)
&rst
ixpk= 883, nxpk= 20, iat= -1, 18, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 20, 21,
&end
#
# 0 AMB 20-2:884 2 ARG HA 3.50 (# 884:20 Single Ambig)
&rst
ixpk= 884, nxpk= 20, iat= -1, 18, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 23, 24, 23, 24,
&end
#
# 0 AMB 20-2:885 3 GLN HA 4.50 (# 885:20 Single Ambig)
&rst
ixpk= 885, nxpk= 20, iat= -1, 42, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 47, 48, 88, 89,
&end
#
# 3 GLN HB+ 3 GLN HA 3.50 (# 886:20 Unique 2.39, 2.76 A)
&rst
ixpk= 886, nxpk= 20, iat= -1, 42, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 44, 45,
&end
#
# 3 GLN HN 2 ARG HA 5.50 (# 887:20 Unique 2.17, 2.71 A)
&rst
ixpk= 887, nxpk= 20, iat= 40, 18, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 TYR HB+ 20 ALA HA 5.50 (# 889:20 Unique 2.51, 3.47 A)
&rst
ixpk= 889, nxpk= 20, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 337, 338,
&end
#
# 0 AMB 20-2:890 20 ALA HA 3.50 (# 890:20 Single Ambig)
&rst
ixpk= 890, nxpk= 20, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 333, 290,
&end
#
# 20 ALA HN 20 ALA HA 2.80 (# 891:20 Unique 2.81, 2.82 A)
&rst
ixpk= 891, nxpk= 20, iat= 280, 282, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 23 TYR HD 20 ALA HA 4.50 (# 892:20 Unique 2.29, 4.27 A)
&rst
ixpk= 892, nxpk= 20, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 341, 350,
&end
#
# 23 TYR HB- 20 ALA HA 4.50 (# 893:20 Unique 2.51, 3.47 A)
&rst
ixpk= 893, nxpk= 20, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 337, 338,
&end
#
# 20 ALA MB 20 ALA HA 2.80 (# 894:20 Unique 2.42, 2.66 A)
&rst
ixpk= 894, nxpk= 20, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 284, 285, 286,
&end
#
# 0 AMB 20-2:895 20 ALA HA 2.80 (# 895:20 Single Ambig)
&rst
ixpk= 895, nxpk= 20, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1052,1053,1054,1056,1057,1058,1012,1013,1014,1016,
1017,1018,
&end
#
# 67 LEU MDY 20 ALA HA 5.50 (# 896:20 Unique 2.51, 4.38 A)
&rst
ixpk= 896, nxpk= 20, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:897 6 GLN HA 3.50 (# 897:20 Single Ambig)
&rst
ixpk= 897, nxpk= 20, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 81, 98,
&end
#
# 6 GLN HG- 6 GLN HA 4.50 (# 898:20 Unique 2.29, 3.15 A)
&rst
ixpk= 898, nxpk= 20, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 88, 89,
&end
#
# 6 GLN HB- 6 GLN HA 3.50 (# 899:20 Unique 2.36, 2.70 A)
&rst
ixpk= 899, nxpk= 20, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 85, 86,
&end
#
# 6 GLN HB+ 6 GLN HA 3.50 (# 900:20 Unique 2.36, 2.70 A)
&rst
ixpk= 900, nxpk= 20, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 85, 86,
&end
#
# 51 TYR HD 48 ALA HA 3.50 (# 901:20 Unique 2.63, 4.73 A)
&rst
ixpk= 901, nxpk= 20, iat= -1, 745, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 800, 809,
&end
#
# 47 VAL MGY 48 ALA HA 3.50 (# 902:20 Unique 3.32, 5.50 A)
&rst
ixpk= 902, nxpk= 20, iat= -1, 745, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:903 0 AMB 20-1:903 3.50 (# 903:20 Double Ambig)
&rst
ixpk= 903, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 418, 419,1588,
igr2= 366,1563,
&end
#
# 95 ILE QG2 25 ALA HA 5.50 (# 904:20 Unique 4.33, 5.13 A)
&rst
ixpk= 904, nxpk= 20, iat= -1, 366, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1459,1460,1461,
&end
#
# 102 GLU HB+ 102 GLU HA 3.50 (# 905:20 Unique 2.33, 2.74 A)
&rst
ixpk= 905, nxpk= 20, iat= -1,1563, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1565,1566,
&end
#
# 48 ALA HN 48 ALA HA 2.80 (# 907:20 Unique 2.73, 2.75 A)
&rst
ixpk= 907, nxpk= 20, iat= 743, 745, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 53 TYR HN 48 ALA HA 5.50 (# 908:20 Unique 4.74, 5.31 A)
&rst
ixpk= 908, nxpk= 20, iat= 827, 745, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:909 48 ALA HA 4.50 (# 909:20 Single Ambig)
&rst
ixpk= 909, nxpk= 20, iat= -1, 745, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 792, 770,
&end
#
# 0 AMB 20-2:910 48 ALA HA 5.50 (# 910:20 Single Ambig)
&rst
ixpk= 910, nxpk= 20, iat= -1, 745, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 727, 686,
&end
#
# 53 TYR HB- 48 ALA HA 4.50 (# 911:20 Unique 3.41, 4.10 A)
&rst
ixpk= 911, nxpk= 20, iat= -1, 745, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 831, 832,
&end
#
# 53 TYR HB+ 48 ALA HA 3.50 (# 912:20 Unique 3.41, 4.10 A)
&rst
ixpk= 912, nxpk= 20, iat= -1, 745, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 831, 832,
&end
#
# 0 AMB 20-2:913 48 ALA HA 2.80 (# 913:20 Single Ambig)
&rst
ixpk= 913, nxpk= 20, iat= -1, 745, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 747, 748, 749, 733, 734, 735, 737, 738, 739,
&end
#
# 86 LEU MDX 48 ALA HA 3.50 (# 914:20 Unique 2.10, 3.67 A)
&rst
ixpk= 914, nxpk= 20, iat= -1, 745, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1329,1330,1331,1333,1334,1335,
&end
#
# 49 MET HN 48 ALA HA 4.50 (# 915:20 Unique 3.60, 3.61 A)
&rst
ixpk= 915, nxpk= 20, iat= 753, 745, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 ARG HN 36 ARG HA 3.50 (# 916:20 Unique 2.82, 2.93 A)
&rst
ixpk= 916, nxpk= 20, iat= 543, 545, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 ARG HD- 36 ARG HA 4.50 (# 917:20 Unique 2.40, 3.31 A)
&rst
ixpk= 917, nxpk= 20, iat= -1, 545, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 553, 554,
&end
#
# 36 ARG HB- 36 ARG HA 2.80 (# 918:20 Unique 2.45, 2.86 A)
&rst
ixpk= 918, nxpk= 20, iat= -1, 545, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 547, 548,
&end
#
# 37 PHE HN 36 ARG HA 3.50 (# 919:20 Unique 2.58, 3.06 A)
&rst
ixpk= 919, nxpk= 20, iat= 567, 545, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:920 25 ALA HA 2.80 (# 920:20 Single Ambig)
&rst
ixpk= 920, nxpk= 20, iat= -1, 366, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 364, 430,
&end
#
# 28 ASN HB- 25 ALA HA 4.50 (# 921:20 Unique 2.43, 3.44 A)
&rst
ixpk= 921, nxpk= 20, iat= -1, 366, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 413, 414,
&end
#
# 28 ASN HB+ 25 ALA HA 3.50 (# 922:20 Unique 2.43, 3.44 A)
&rst
ixpk= 922, nxpk= 20, iat= -1, 366, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 413, 414,
&end
#
# 0 AMB 20-2:923 25 ALA HA 5.50 (# 923:20 Single Ambig)
&rst
ixpk= 923, nxpk= 20, iat= -1, 366, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1476,1477, 394,
&end
#
# 28 ASN HN 25 ALA HA 4.50 (# 924:20 Unique 3.24, 3.39 A)
&rst
ixpk= 924, nxpk= 20, iat= 409, 366, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:925 25 ALA HA 2.80 (# 925:20 Single Ambig)
&rst
ixpk= 925, nxpk= 20, iat= -1, 366, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1479, 368, 369, 370,
&end
#
# 96 LEU MDY 25 ALA HA 2.80 (# 926:20 Unique 2.19, 3.73 A)
&rst
ixpk= 926, nxpk= 20, iat= -1, 366, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 96 LEU MDX 25 ALA HA 2.80 (# 927:20 Unique 2.19, 3.73 A)
&rst
ixpk= 927, nxpk= 20, iat= -1, 366, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 103 ASP HN 102 GLU HA 2.80 (# 928:20 Unique 2.29, 2.34 A)
&rst
ixpk= 928, nxpk= 20, iat=1576,1563, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:929 102 GLU HA 2.80 (# 929:20 Single Ambig)
&rst
ixpk= 929, nxpk= 20, iat= -1,1563, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1568,1569,1568,1569,
&end
#
# 48 ALA HN 45 ASN HA 4.50 (# 930:20 Unique 3.23, 3.32 A)
&rst
ixpk= 930, nxpk= 20, iat= 743, 696, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 MET HN 45 ASN HA 5.50 (# 931:20 Unique 3.41, 3.49 A)
&rst
ixpk= 931, nxpk= 20, iat= 753, 696, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:932 45 ASN HA 5.50 (# 932:20 Single Ambig)
&rst
ixpk= 932, nxpk= 20, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 870, 871, 881, 882, 715,
&end
#
# 45 ASN HN 45 ASN HA 3.50 (# 933:20 Unique 2.80, 2.81 A)
&rst
ixpk= 933, nxpk= 20, iat= 694, 696, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:934 45 ASN HA 3.50 (# 934:20 Single Ambig)
&rst
ixpk= 934, nxpk= 20, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 682, 690, 684, 688,
&end
#
# 45 ASN HB- 45 ASN HA 3.50 (# 935:20 Unique 2.54, 2.80 A)
&rst
ixpk= 935, nxpk= 20, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 698, 699,
&end
#
# 45 ASN HB+ 45 ASN HA 2.80 (# 936:20 Unique 2.54, 2.80 A)
&rst
ixpk= 936, nxpk= 20, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 698, 699,
&end
#
# 0 AMB 20-2:937 45 ASN HA 5.50 (# 937:20 Single Ambig)
&rst
ixpk= 937, nxpk= 20, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 764, 765, 766, 870, 871, 757, 758,
&end
#
# 48 ALA MB 45 ASN HA 2.80 (# 938:20 Unique 2.30, 3.22 A)
&rst
ixpk= 938, nxpk= 20, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 747, 748, 749,
&end
#
# 36 ARG HB+ 36 ARG HA 2.80 (# 941:20 Unique 2.45, 2.86 A)
&rst
ixpk= 941, nxpk= 20, iat= -1, 545, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 547, 548,
&end
#
# 36 ARG HG- 36 ARG HA 2.80 (# 942:20 Unique 2.25, 3.03 A)
&rst
ixpk= 942, nxpk= 20, iat= -1, 545, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 550, 551,
&end
#
# 83 LYS HB- 80 ALA HA 3.50 (# 943:20 Unique 2.29, 2.77 A)
&rst
ixpk= 943, nxpk= 20, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1268,1269,
&end
#
# 0 AMB 20-2:944 0 AMB 20-1:944 2.80 (# 944:20 Double Ambig)
&rst
ixpk= 944, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1476,1477,1274,1275,
igr2=1474,1227,
&end
#
# 39 THR MG2 80 ALA HA 3.50 (# 945:20 Unique 2.30, 3.26 A)
&rst
ixpk= 945, nxpk= 20, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 607, 608, 609,
&end
#
# 96 LEU HN 96 LEU HA 2.80 (# 946:20 Unique 2.20, 2.24 A)
&rst
ixpk= 946, nxpk= 20, iat=1472,1474, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 97 GLY HN 96 LEU HA 3.50 (# 947:20 Unique 2.65, 2.79 A)
&rst
ixpk= 947, nxpk= 20, iat=1491,1474, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 LEU MDX 96 LEU HA 4.50 (# 948:20 Unique 2.18, 3.85 A)
&rst
ixpk= 948, nxpk= 20, iat= -1,1474, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 0 AMB 20-2:949 80 ALA HA 2.80 (# 949:20 Single Ambig)
&rst
ixpk= 949, nxpk= 20, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1274,1275,1274,1275,
&end
#
# 96 LEU MDY 96 LEU HA 2.80 (# 950:20 Unique 2.18, 3.85 A)
&rst
ixpk= 950, nxpk= 20, iat= -1,1474, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 0 AMB 20-2:951 45 ASN HA 5.50 (# 951:20 Single Ambig)
&rst
ixpk= 951, nxpk= 20, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 727, 686,
&end
#
# 93 ARG HN 93 ARG HA 3.50 (# 952:20 Unique 2.85, 2.94 A)
&rst
ixpk= 952, nxpk= 20, iat=1415,1417, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ARG HB- 93 ARG HA 2.80 (# 953:20 Unique 2.28, 2.70 A)
&rst
ixpk= 953, nxpk= 20, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1419,1420,
&end
#
# 93 ARG HB+ 93 ARG HA 2.80 (# 954:20 Unique 2.28, 2.70 A)
&rst
ixpk= 954, nxpk= 20, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1419,1420,
&end
#
# 0 AMB 20-2:955 93 ARG HA 2.80 (# 955:20 Single Ambig)
&rst
ixpk= 955, nxpk= 20, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1422,1423,1422,1423,
&end
#
# 93 ARG HD- 93 ARG HA 5.50 (# 956:20 Unique 2.27, 4.31 A)
&rst
ixpk= 956, nxpk= 20, iat= -1,1417, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1425,1426,
&end
#
# 35 ASN HN 34 LEU HA 2.80 (# 957:20 Unique 2.20, 2.35 A)
&rst
ixpk= 957, nxpk= 20, iat= 529, 512, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 34 LEU HN 0 AMB 20-1:959 3.50 (# 959:20 Single Ambig)
&rst
ixpk= 959, nxpk= 20, iat= 510, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 512, 492,
&end
#
# 81 ALA MB 34 LEU HA 2.80 (# 960:20 Unique 2.48, 3.28 A)
&rst
ixpk= 960, nxpk= 20, iat= -1, 512, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1239,1240,1241,
&end
#
# 34 LEU HB+ 34 LEU HA 2.80 (# 961:20 Unique 2.45, 2.82 A)
&rst
ixpk= 961, nxpk= 20, iat= -1, 512, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 514, 515,
&end
#
# 34 LEU HG 34 LEU HA 3.50 (# 962:20 Unique 2.90, 3.49 A)
&rst
ixpk= 962, nxpk= 20, iat= 517, 512, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:963 0 AMB 20-1:963 2.80 (# 963:20 Double Ambig)
&rst
ixpk= 963, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 519, 520, 521, 523, 524, 525, 494, 495,
igr2= 512, 492,
&end
#
# 33 PHE HD 0 AMB 20-1:964 3.50 (# 964:20 Single Ambig)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 498, 506,
igr2= 512, 492,
&end
#
# 0 AMB 20-2:966 0 AMB 20-1:966 4.50 (# 966:20 Double Ambig)
&rst
ixpk= 966, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
igr1=1208,1209,1210,1290,1291,1290,1291,
igr2= 512, 492,
&end
#
# 0 AMB 20-2:967 0 AMB 20-1:967 4.50 (# 967:20 Double Ambig)
&rst
ixpk= 967, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1310,1311,1312,1314,1315,1316,1134,1135,1136,
igr2= 492, 512,
&end
#
# 32 TRP HE3 33 PHE HA 4.50 (# 969:20 Unique 2.72, 2.89 A)
&rst
ixpk= 969, nxpk= 20, iat= 485, 492, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 LYS HN 80 ALA HA 4.50 (# 971:20 Unique 3.29, 3.42 A)
&rst
ixpk= 971, nxpk= 20, iat=1264,1227, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:972 80 ALA HA 2.80 (# 972:20 Single Ambig)
&rst
ixpk= 972, nxpk= 20, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1225, 538, 539,
&end
#
# 81 ALA HN 80 ALA HA 5.50 (# 973:20 Unique 3.58, 3.60 A)
&rst
ixpk= 973, nxpk= 20, iat=1235,1227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:974 80 ALA HA 5.50 (# 974:20 Single Ambig)
&rst
ixpk= 974, nxpk= 20, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1286, 684, 688,
&end
#
# 83 LYS HB+ 80 ALA HA 3.50 (# 975:20 Unique 2.29, 2.77 A)
&rst
ixpk= 975, nxpk= 20, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1268,1269,
&end
#
# 80 ALA MB 80 ALA HA 2.80 (# 976:20 Unique 2.41, 2.66 A)
&rst
ixpk= 976, nxpk= 20, iat= -1,1227, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1229,1230,1231,
&end
#
# 96 LEU MDX 96 LEU HA 5.50 (# 977:20 Unique 2.18, 3.85 A)
&rst
ixpk= 977, nxpk= 20, iat= -1,1474, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 0 AMB 20-2:978 0 AMB 20-1:978 2.80 (# 978:20 Double Ambig)
&rst
ixpk= 978, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1439, 538, 539,
igr2=1417,1237,
&end
#
# 84 GLU HB+ 81 ALA HA 3.50 (# 979:20 Unique 2.87, 4.04 A)
&rst
ixpk= 979, nxpk= 20, iat= -1,1237, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1290,1291,
&end
#
# 64 LEU HB- 64 LEU HA 2.80 (# 980:20 Unique 2.48, 2.76 A)
&rst
ixpk= 980, nxpk= 20, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1007,1008,
&end
#
# 0 AMB 20-2:981 64 LEU HA 2.80 (# 981:20 Single Ambig)
&rst
ixpk= 981, nxpk= 20, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1010,1641,1642,
&end
#
# 0 AMB 20-2:982 64 LEU HA 2.80 (# 982:20 Single Ambig)
&rst
ixpk= 982, nxpk= 20, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1644,1645,1007,1008,
&end
#
# 0 AMB 20-2:983 64 LEU HA 5.50 (# 983:20 Single Ambig)
&rst
ixpk= 983, nxpk= 20, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1156,1157,1158,1160,1161,1162, 265, 266, 994, 995,
&end
#
# 0 AMB 20-2:984 64 LEU HA 2.80 (# 984:20 Single Ambig)
&rst
ixpk= 984, nxpk= 20, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1012,1013,1014,1016,1017,1018,1052,1053,1054,1056,
1057,1058,
&end
#
# 27 ILE HB 24 ALA HA 2.80 (# 985:20 Unique 2.29, 2.39 A)
&rst
ixpk= 985, nxpk= 20, iat= 394, 356, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:986 24 ALA HA 3.50 (# 986:20 Single Ambig)
&rst
ixpk= 986, nxpk= 20, iat= -1, 356, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 390, 364,
&end
#
# 24 ALA HN 24 ALA HA 3.50 (# 987:20 Unique 2.81, 2.82 A)
&rst
ixpk= 987, nxpk= 20, iat= 354, 356, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 24 ALA MB 24 ALA HA 2.80 (# 988:20 Unique 2.38, 2.66 A)
&rst
ixpk= 988, nxpk= 20, iat= -1, 356, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 358, 359, 360,
&end
#
# 110 VAL MGX 24 ALA HA 2.80 (# 989:20 Unique 2.19, 3.81 A)
&rst
ixpk= 989, nxpk= 20, iat= -1, 356, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1689,1690,1691,1693,1694,1695,
&end
#
# 0 AMB 20-2:990 24 ALA HA 3.50 (# 990:20 Single Ambig)
&rst
ixpk= 990, nxpk= 20, iat= -1, 356, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1= 396, 397, 398, 400, 401,1052,1053,1054,1056,1057,
1058,
&end
#
# 27 ILE QD1 24 ALA HA 3.50 (# 991:20 Unique 2.62, 3.75 A)
&rst
ixpk= 991, nxpk= 20, iat= -1, 356, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 403, 404, 405,
&end
#
# 0 AMB 20-2:992 52 ASN HA 4.50 (# 992:20 Single Ambig)
&rst
ixpk= 992, nxpk= 20, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 792, 770,
&end
#
# 52 ASN HB+ 52 ASN HA 2.80 (# 993:20 Unique 2.41, 2.75 A)
&rst
ixpk= 993, nxpk= 20, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 817, 818,
&end
#
# 53 TYR HN 52 ASN HA 2.80 (# 994:20 Unique 2.37, 2.45 A)
&rst
ixpk= 994, nxpk= 20, iat= 827, 815, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 52 ASN HN 52 ASN HA 2.80 (# 995:20 Unique 2.17, 2.20 A)
&rst
ixpk= 995, nxpk= 20, iat= 813, 815, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 52 ASN HB- 52 ASN HA 2.80 (# 996:20 Unique 2.41, 2.75 A)
&rst
ixpk= 996, nxpk= 20, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 817, 818,
&end
#
# 12 THR MG2 52 ASN HA 3.50 (# 997:20 Unique 3.14, 4.20 A)
&rst
ixpk= 997, nxpk= 20, iat= -1, 815, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 157, 158, 159,
&end
#
# 82 LEU HN 81 ALA HA 5.50 (# 998:20 Unique 3.60, 3.62 A)
&rst
ixpk= 998, nxpk= 20, iat=1245,1237, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 GLU HN 81 ALA HA 4.50 (# 999:20 Unique 3.40, 3.48 A)
&rst
ixpk= 999, nxpk= 20, iat=1286,1237, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 35 ASN HD2- 81 ALA HA 3.50 (# 1000:20 Unique 2.25, 3.03 A)
&rst
ixpk= 1000, nxpk= 20, iat= -1,1237, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 538, 539,
&end
#
# 84 GLU HB- 81 ALA HA 5.50 (# 1001:20 Unique 2.87, 4.04 A)
&rst
ixpk= 1001, nxpk= 20, iat= -1,1237, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1290,1291,
&end
#
# 81 ALA HN 81 ALA HA 2.80 (# 1002:20 Unique 2.83, 2.85 A)
&rst
ixpk= 1002, nxpk= 20, iat=1235,1237, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 81 ALA MB 81 ALA HA 2.80 (# 1003:20 Unique 2.40, 2.66 A)
&rst
ixpk= 1003, nxpk= 20, iat= -1,1237, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1239,1240,1241,
&end
#
# 64 LEU HN 64 LEU HA 3.50 (# 1004:20 Unique 2.87, 2.89 A)
&rst
ixpk= 1004, nxpk= 20, iat=1003,1005, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 67 LEU HN 64 LEU HA 5.50 (# 1005:20 Unique 3.43, 3.54 A)
&rst
ixpk= 1005, nxpk= 20, iat=1043,1005, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 ALA HN 17 ASN HA 5.50 (# 1006:20 Unique 3.07, 3.14 A)
&rst
ixpk= 1006, nxpk= 20, iat= 280, 233, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 ALA MB 17 ASN HA 2.80 (# 1007:20 Unique 2.27, 3.11 A)
&rst
ixpk= 1007, nxpk= 20, iat= -1, 233, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 284, 285, 286,
&end
#
# 27 ILE QG2 28 ASN HA 4.50 (# 1008:20 Unique 2.97, 3.99 A)
&rst
ixpk= 1008, nxpk= 20, iat= -1, 411, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 396, 397, 398,
&end
#
# 96 LEU MDY 28 ASN HA 5.50 (# 1009:20 Unique 5.03, 6.80 A)
&rst
ixpk= 1009, nxpk= 20, iat= -1, 411, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 29 GLY HN 28 ASN HA 3.50 (# 1010:20 Unique 3.45, 3.52 A)
&rst
ixpk= 1010, nxpk= 20, iat= 423, 411, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1011 54 GLU HA 5.50 (# 1011:20 Single Ambig)
&rst
ixpk= 1011, nxpk= 20, iat= -1, 850, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 151, 949, 753,
&end
#
# 54 GLU HN 54 GLU HA 4.50 (# 1012:20 Unique 2.90, 2.93 A)
&rst
ixpk= 1012, nxpk= 20, iat= 848, 850, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 LEU MDX 101 LEU HA 5.50 (# 1013:20 Unique 4.87, 6.66 A)
&rst
ixpk= 1013, nxpk= 20, iat= -1,1544, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 21 TRP HZ3 101 LEU HA 3.50 (# 1014:20 Unique 2.54, 2.73 A)
&rst
ixpk= 1014, nxpk= 20, iat= 307,1544, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 LEU HB+ 101 LEU HA 2.80 (# 1016:20 Unique 2.38, 2.74 A)
&rst
ixpk= 1016, nxpk= 20, iat= -1,1544, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1546,1547,
&end
#
# 0 AMB 20-2:1017 101 LEU HA 2.80 (# 1017:20 Single Ambig)
&rst
ixpk= 1017, nxpk= 20, iat= -1,1544, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1546,1547,1549,
&end
#
# 101 LEU MDY 101 LEU HA 2.80 (# 1018:20 Unique 2.16, 3.91 A)
&rst
ixpk= 1018, nxpk= 20, iat= -1,1544, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1551,1552,1553,1555,1556,1557,
&end
#
# 101 LEU HN 101 LEU HA 5.50 (# 1019:20 Unique 2.91, 2.93 A)
&rst
ixpk= 1019, nxpk= 20, iat=1542,1544, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 GLY HN 69 ALA HA 5.50 (# 1020:20 Unique 3.45, 3.56 A)
&rst
ixpk= 1020, nxpk= 20, iat=1114,1075, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 70 GLN HN 69 ALA HA 3.50 (# 1021:20 Unique 3.57, 3.58 A)
&rst
ixpk= 1021, nxpk= 20, iat=1083,1075, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 VAL HA 31 ARG HA 5.50 (# 1022:20 Unique 2.78, 3.31 A)
&rst
ixpk= 1022, nxpk= 20, iat= 376, 444, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 ARG HN 31 ARG HA 3.50 (# 1023:20 Unique 2.83, 2.92 A)
&rst
ixpk= 1023, nxpk= 20, iat= 442, 444, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 TRP HN 31 ARG HA 5.50 (# 1024:20 Unique 2.18, 2.74 A)
&rst
ixpk= 1024, nxpk= 20, iat= 466, 444, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1025 31 ARG HA 3.50 (# 1025:20 Single Ambig)
&rst
ixpk= 1025, nxpk= 20, iat= -1, 444, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 449, 450, 514, 515,
&end
#
# 26 VAL MGY 31 ARG HA 3.50 (# 1026:20 Unique 2.35, 4.44 A)
&rst
ixpk= 1026, nxpk= 20, iat= -1, 444, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 34 LEU HG 31 ARG HA 4.50 (# 1027:20 Unique 3.27, 4.24 A)
&rst
ixpk= 1027, nxpk= 20, iat= 517, 444, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 LEU MDX 31 ARG HA 5.50 (# 1028:20 Unique 2.41, 4.94 A)
&rst
ixpk= 1028, nxpk= 20, iat= -1, 444, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 519, 520, 521, 523, 524, 525,
&end
#
# 31 ARG HB- 31 ARG HA 2.80 (# 1029:20 Unique 2.34, 2.64 A)
&rst
ixpk= 1029, nxpk= 20, iat= -1, 444, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 446, 447,
&end
#
# 31 ARG HB+ 31 ARG HA 2.80 (# 1030:20 Unique 2.34, 2.64 A)
&rst
ixpk= 1030, nxpk= 20, iat= -1, 444, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 446, 447,
&end
#
# 26 VAL MGX 31 ARG HA 3.50 (# 1031:20 Unique 2.35, 4.44 A)
&rst
ixpk= 1031, nxpk= 20, iat= -1, 444, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 17 ASN HN 17 ASN HA 4.50 (# 1032:20 Unique 2.90, 2.91 A)
&rst
ixpk= 1032, nxpk= 20, iat= 231, 233, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 107 PRO HD- 17 ASN HA 3.50 (# 1033:20 Unique 2.87, 3.95 A)
&rst
ixpk= 1033, nxpk= 20, iat= -1, 233, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1638,1639,
&end
#
# 0 AMB 20-2:1034 28 ASN HA 5.50 (# 1034:20 Single Ambig)
&rst
ixpk= 1034, nxpk= 20, iat= -1, 411, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 430, 390,
&end
#
# 28 ASN HB- 28 ASN HA 2.80 (# 1035:20 Unique 2.65, 2.85 A)
&rst
ixpk= 1035, nxpk= 20, iat= -1, 411, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 413, 414,
&end
#
# 28 ASN HB+ 28 ASN HA 2.80 (# 1036:20 Unique 2.65, 2.85 A)
&rst
ixpk= 1036, nxpk= 20, iat= -1, 411, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 413, 414,
&end
#
# 28 ASN HN 28 ASN HA 3.50 (# 1037:20 Unique 2.81, 2.83 A)
&rst
ixpk= 1037, nxpk= 20, iat= 409, 411, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1038 54 GLU HA 2.80 (# 1038:20 Single Ambig)
&rst
ixpk= 1038, nxpk= 20, iat= -1, 850, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 864, 865, 155,
&end
#
# 55 PRO HD+ 54 GLU HA 2.80 (# 1039:20 Unique 2.31, 2.45 A)
&rst
ixpk= 1039, nxpk= 20, iat= -1, 850, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 864, 865,
&end
#
# 54 GLU HG- 54 GLU HA 2.80 (# 1040:20 Unique 2.44, 2.86 A)
&rst
ixpk= 1040, nxpk= 20, iat= -1, 850, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 855, 856,
&end
#
# 0 AMB 20-2:1041 54 GLU HA 2.80 (# 1041:20 Single Ambig)
&rst
ixpk= 1041, nxpk= 20, iat= -1, 850, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 852, 853, 852, 853,
&end
#
# 12 THR MG2 54 GLU HA 3.50 (# 1042:20 Unique 2.29, 3.51 A)
&rst
ixpk= 1042, nxpk= 20, iat= -1, 850, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 157, 158, 159,
&end
#
# 69 ALA HN 69 ALA HA 2.80 (# 1043:20 Unique 2.82, 2.84 A)
&rst
ixpk= 1043, nxpk= 20, iat=1073,1075, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 69 ALA MB 69 ALA HA 2.80 (# 1044:20 Unique 2.45, 2.66 A)
&rst
ixpk= 1044, nxpk= 20, iat= -1,1075, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1077,1078,1079,
&end
#
# 33 PHE HE 31 ARG HA 5.50 (# 1045:20 Unique 2.83, 4.31 A)
&rst
ixpk= 1045, nxpk= 20, iat= -1, 444, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 500, 504,
&end
#
# 2 ARG HN 1 ASP HA 5.50 (# 1046:20 Unique 2.19, 2.58 A)
&rst
ixpk= 1046, nxpk= 20, iat= 16, 6, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 12 THR HN 11 ASP HA 3.50 (# 1048:20 Unique 2.57, 3.33 A)
&rst
ixpk= 1048, nxpk= 20, iat= 151, 141, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 ASP HB- 11 ASP HA 2.80 (# 1049:20 Unique 2.40, 2.75 A)
&rst
ixpk= 1049, nxpk= 20, iat= -1, 141, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 143, 144,
&end
#
# 11 ASP HN 11 ASP HA 3.50 (# 1050:20 Unique 2.20, 2.73 A)
&rst
ixpk= 1050, nxpk= 20, iat= 139, 141, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 ASN HN 91 ASN HA 2.80 (# 1051:20 Unique 2.17, 2.48 A)
&rst
ixpk= 1051, nxpk= 20, iat=1394,1396, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 91 ASN HB+ 91 ASN HA 2.80 (# 1052:20 Unique 2.41, 2.76 A)
&rst
ixpk= 1052, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1398,1399,
&end
#
# 92 GLY HN 91 ASN HA 3.50 (# 1053:20 Unique 2.18, 2.97 A)
&rst
ixpk= 1053, nxpk= 20, iat=1408,1396, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 ASN HB- 91 ASN HA 2.80 (# 1055:20 Unique 2.41, 2.76 A)
&rst
ixpk= 1055, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1398,1399,
&end
#
# 91 ASN HD2+ 91 ASN HA 5.50 (# 1056:20 Unique 2.36, 4.32 A)
&rst
ixpk= 1056, nxpk= 20, iat= -1,1396, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1403,1404,
&end
#
# 75 VAL HN 74 ALA HA 2.80 (# 1060:20 Unique 2.23, 2.28 A)
&rst
ixpk= 1060, nxpk= 20, iat=1150,1142, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:1061 74 ALA HA 4.50 (# 1061:20 Single Ambig)
&rst
ixpk= 1061, nxpk= 20, iat= -1,1142, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1154,1125,
&end
#
# 74 ALA MB 74 ALA HA 2.80 (# 1062:20 Unique 2.46, 2.68 A)
&rst
ixpk= 1062, nxpk= 20, iat= -1,1142, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1144,1145,1146,
&end
#
# 75 VAL MGX 74 ALA HA 3.50 (# 1063:20 Unique 3.71, 5.69 A)
&rst
ixpk= 1063, nxpk= 20, iat= -1,1142, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1156,1157,1158,1160,1161,1162,
&end
#
# 0 AMB 20-2:1064 74 ALA HA 5.50 (# 1064:20 Single Ambig)
&rst
ixpk= 1064, nxpk= 20, iat= -1,1142, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1156,1157,1158,1160,1161,1162,1127,1128,1129,
&end
#
# 74 ALA HN 74 ALA HA 4.50 (# 1065:20 Unique 2.85, 2.88 A)
&rst
ixpk= 1065, nxpk= 20, iat=1140,1142, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 SER HB- 74 ALA HA 4.50 (# 1066:20 Unique 2.43, 3.64 A)
&rst
ixpk= 1066, nxpk= 20, iat= -1,1142, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1066,1067,
&end
#
# 103 ASP HN 103 ASP HA 4.50 (# 1067:20 Unique 2.95, 2.97 A)
&rst
ixpk= 1067, nxpk= 20, iat=1576,1578, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 103 ASP HB- 103 ASP HA 2.80 (# 1070:20 Unique 2.24, 2.50 A)
&rst
ixpk= 1070, nxpk= 20, iat= -1,1578, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1580,1581,
&end
#
# 17 ASN HB- 103 ASP HA 3.50 (# 1071:20 Unique 2.57, 2.90 A)
&rst
ixpk= 1071, nxpk= 20, iat= -1,1578, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 235, 236,
&end
#
# 104 GLU HN 103 ASP HA 5.50 (# 1072:20 Unique 2.71, 3.07 A)
&rst
ixpk= 1072, nxpk= 20, iat=1588,1578, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 103 ASP HB+ 103 ASP HA 2.80 (# 1073:20 Unique 2.24, 2.50 A)
&rst
ixpk= 1073, nxpk= 20, iat= -1,1578, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1580,1581,
&end
#
# 65 GLY HA- 66 PRO HD- 3.50 (# 1075:20 Unique 2.32, 3.46 A)
&rst
ixpk= 1075, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1024,1025,
igr2=1030,1031,
&end
#
# 66 PRO HB+ 66 PRO HD- 4.50 (# 1077:20 Unique 2.81, 3.67 A)
&rst
ixpk= 1077, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1036,1037,
igr2=1030,1031,
&end
#
# 65 GLY HA- 66 PRO HD+ 2.80 (# 1079:20 Unique 2.32, 3.46 A)
&rst
ixpk= 1079, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1024,1025,
igr2=1030,1031,
&end
#
# 66 PRO HG+ 66 PRO HD+ 2.80 (# 1081:20 Unique 2.34, 2.61 A)
&rst
ixpk= 1081, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1033,1034,
igr2=1030,1031,
&end
#
# 66 PRO HB+ 66 PRO HD+ 4.50 (# 1082:20 Unique 2.81, 3.67 A)
&rst
ixpk= 1082, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1036,1037,
igr2=1030,1031,
&end
#
# 54 GLU HA 55 PRO HD- 2.80 (# 1083:20 Unique 2.31, 2.45 A)
&rst
ixpk= 1083, nxpk= 20, iat= 850, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 864, 865,
&end
#
# 54 GLU HG- 55 PRO HD- 5.50 (# 1085:20 Unique 3.49, 4.67 A)
&rst
ixpk= 1085, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 855, 856,
igr2= 864, 865,
&end
#
# 0 AMB 20-2:1086 55 PRO HD- 2.80 (# 1086:20 Single Ambig)
&rst
ixpk= 1086, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 867, 868, 852, 853, 870, 871,
igr2= 864, 865,
&end
#
# 55 PRO HG- 55 PRO HD- 2.80 (# 1087:20 Unique 2.31, 2.60 A)
&rst
ixpk= 1087, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 867, 868,
igr2= 864, 865,
&end
#
# 55 PRO HB+ 55 PRO HD- 4.50 (# 1088:20 Unique 2.94, 3.72 A)
&rst
ixpk= 1088, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 870, 871,
igr2= 864, 865,
&end
#
# 66 PRO HA 66 PRO HD- 4.50 (# 1090:20 Unique 3.34, 3.73 A)
&rst
ixpk= 1090, nxpk= 20, iat=1039, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1030,1031,
&end
#
# 67 LEU HN 66 PRO HD- 5.50 (# 1091:20 Unique 2.86, 3.58 A)
&rst
ixpk= 1091, nxpk= 20, iat=1043, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1030,1031,
&end
#
# 66 PRO HG+ 66 PRO HD- 2.80 (# 1092:20 Unique 2.34, 2.61 A)
&rst
ixpk= 1092, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1033,1034,
igr2=1030,1031,
&end
#
# 65 GLY HN 66 PRO HD- 4.50 (# 1093:20 Unique 2.87, 3.27 A)
&rst
ixpk= 1093, nxpk= 20, iat=1022, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1030,1031,
&end
#
# 54 GLU HA 55 PRO HD+ 2.80 (# 1095:20 Unique 2.31, 2.45 A)
&rst
ixpk= 1095, nxpk= 20, iat= 850, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 864, 865,
&end
#
# 54 GLU HG- 55 PRO HD+ 4.50 (# 1096:20 Unique 3.49, 4.67 A)
&rst
ixpk= 1096, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 855, 856,
igr2= 864, 865,
&end
#
# 0 AMB 20-2:1097 0 AMB 20-1:1097 2.80 (# 1097:20 Double Ambig)
&rst
ixpk= 1097, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 867, 868, 852, 853, 870, 871,
igr2= 864, 865, 864, 865, 864, 865,
&end
#
# 55 PRO HG- 55 PRO HD+ 2.80 (# 1098:20 Unique 2.31, 2.60 A)
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 867, 868,
igr2= 864, 865,
&end
#
# 55 PRO HB+ 55 PRO HD+ 3.50 (# 1099:20 Unique 2.94, 3.72 A)
&rst
ixpk= 1099, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 870, 871,
igr2= 864, 865,
&end
#
# 66 PRO HA 66 PRO HD+ 4.50 (# 1101:20 Unique 3.34, 3.73 A)
&rst
ixpk= 1101, nxpk= 20, iat=1039, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1030,1031,
&end
#
# 65 GLY HN 66 PRO HD+ 3.50 (# 1102:20 Unique 2.87, 3.27 A)
&rst
ixpk= 1102, nxpk= 20, iat=1022, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1030,1031,
&end
#
# 66 PRO HG- 66 PRO HD+ 2.80 (# 1104:20 Unique 2.34, 2.61 A)
&rst
ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1033,1034,
igr2=1030,1031,
&end
#
# 107 PRO HA 107 PRO HD- 4.50 (# 1105:20 Unique 3.54, 3.72 A)
&rst
ixpk= 1105, nxpk= 20, iat=1647, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1638,1639,
&end
#
# 107 PRO HG+ 107 PRO HD- 2.80 (# 1106:20 Unique 2.31, 2.60 A)
&rst
ixpk= 1106, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1641,1642,
igr2=1638,1639,
&end
#
# 106 THR HB 107 PRO HD- 2.80 (# 1107:20 Unique 2.34, 2.94 A)
&rst
ixpk= 1107, nxpk= 20, iat=1627, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1638,1639,
&end
#
# 107 PRO HG- 107 PRO HD- 2.80 (# 1108:20 Unique 2.31, 2.60 A)
&rst
ixpk= 1108, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1641,1642,
igr2=1638,1639,
&end
#
# 107 PRO HB+ 107 PRO HD- 2.80 (# 1109:20 Unique 2.90, 3.72 A)
&rst
ixpk= 1109, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1644,1645,
igr2=1638,1639,
&end
#
# 0 AMB 20-2:1110 107 PRO HD- 2.80 (# 1110:20 Single Ambig)
&rst
ixpk= 1110, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
igr1= 219, 221, 222, 223, 225, 226, 227, 990, 991, 992,
igr2=1638,1639,
&end
#
# 108 PHE HN 107 PRO HD- 5.50 (# 1111:20 Unique 2.80, 3.52 A)
&rst
ixpk= 1111, nxpk= 20, iat=1651, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1638,1639,
&end
#
# 107 PRO HB- 107 PRO HD- 3.50 (# 1112:20 Unique 2.90, 3.72 A)
&rst
ixpk= 1112, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1644,1645,
igr2=1638,1639,
&end
#
# 65 GLY HN 65 GLY HA- 2.80 (# 1113:20 Unique 2.29, 2.47 A)
&rst
ixpk= 1113, nxpk= 20, iat=1022, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1024,1025,
&end
#
# 66 PRO HD+ 65 GLY HA- 3.50 (# 1115:20 Unique 2.32, 3.46 A)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1030,1031,
igr2=1024,1025,
&end
#
# 66 PRO HD+ 65 GLY HA+ 3.50 (# 1116:20 Unique 2.32, 3.46 A)
&rst
ixpk= 1116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1030,1031,
igr2=1024,1025,
&end
#
# 65 GLY HN 65 GLY HA+ 2.80 (# 1117:20 Unique 2.29, 2.47 A)
&rst
ixpk= 1117, nxpk= 20, iat=1022, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1024,1025,
&end
#
# 72 GLY HN 72 GLY HA- 2.80 (# 1119:20 Unique 2.27, 2.61 A)
&rst
ixpk= 1119, nxpk= 20, iat=1114, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1116,1117,
&end
#
# 73 ILE HN 72 GLY HA- 4.50 (# 1120:20 Unique 2.97, 3.28 A)
&rst
ixpk= 1120, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1116,1117,
&end
#
# 72 GLY HN 72 GLY HA+ 2.80 (# 1122:20 Unique 2.27, 2.61 A)
&rst
ixpk= 1122, nxpk= 20, iat=1114, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1116,1117,
&end
#
# 73 ILE HN 72 GLY HA+ 4.50 (# 1123:20 Unique 2.97, 3.28 A)
&rst
ixpk= 1123, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1116,1117,
&end
#
# 71 THR HN 72 GLY HA+ 5.50 (# 1124:20 Unique 4.41, 4.91 A)
&rst
ixpk= 1124, nxpk= 20, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1116,1117,
&end
#
# 29 GLY HN 29 GLY HA- 2.80 (# 1127:20 Unique 2.37, 2.75 A)
&rst
ixpk= 1127, nxpk= 20, iat= 423, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 425, 426,
&end
#
# 29 GLY HN 29 GLY HA+ 2.80 (# 1128:20 Unique 2.37, 2.75 A)
&rst
ixpk= 1128, nxpk= 20, iat= 423, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 425, 426,
&end
#
# 30 ASP HN 29 GLY HA- 3.50 (# 1130:20 Unique 2.94, 3.29 A)
&rst
ixpk= 1130, nxpk= 20, iat= 430, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 425, 426,
&end
#
# 94 THR HB 97 GLY HA- 4.50 (# 1131:20 Unique 2.39, 3.62 A)
&rst
ixpk= 1131, nxpk= 20, iat=1443, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1493,1494,
&end
#
# 97 GLY HN 97 GLY HA- 2.80 (# 1132:20 Unique 2.27, 2.57 A)
&rst
ixpk= 1132, nxpk= 20, iat=1491, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1493,1494,
&end
#
# 94 THR MG2 97 GLY HA- 5.50 (# 1134:20 Unique 3.27, 5.27 A)
&rst
ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1445,1446,1447,
igr2=1493,1494,
&end
#
# 98 SER HN 97 GLY HA- 4.50 (# 1135:20 Unique 3.06, 3.34 A)
&rst
ixpk= 1135, nxpk= 20, iat=1498, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1493,1494,
&end
#
# 93 ARG HN 92 GLY HA- 4.50 (# 1137:20 Unique 2.48, 3.28 A)
&rst
ixpk= 1137, nxpk= 20, iat=1415, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1410,1411,
&end
#
# 92 GLY HN 92 GLY HA- 3.50 (# 1138:20 Unique 2.26, 2.67 A)
&rst
ixpk= 1138, nxpk= 20, iat=1408, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1410,1411,
&end
#
# 94 THR MG2 97 GLY HA+ 5.50 (# 1139:20 Unique 3.27, 5.27 A)
&rst
ixpk= 1139, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1445,1446,1447,
igr2=1493,1494,
&end
#
# 97 GLY HN 97 GLY HA+ 2.80 (# 1140:20 Unique 2.27, 2.57 A)
&rst
ixpk= 1140, nxpk= 20, iat=1491, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1493,1494,
&end
#
# 93 ARG HN 92 GLY HA+ 4.50 (# 1141:20 Unique 2.48, 3.28 A)
&rst
ixpk= 1141, nxpk= 20, iat=1415, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1410,1411,
&end
#
# 94 THR HB 97 GLY HA+ 3.50 (# 1144:20 Unique 2.39, 3.62 A)
&rst
ixpk= 1144, nxpk= 20, iat=1443, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1493,1494,
&end
#
# 0 AMB 20-2:1146 56 LEU HB- 4.50 (# 1146:20 Single Ambig)
&rst
ixpk= 1146, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 684, 688, 682, 690,
igr2= 881, 882,
&end
#
# 56 LEU HN 56 LEU HB- 3.50 (# 1147:20 Unique 2.30, 2.48 A)
&rst
ixpk= 1147, nxpk= 20, iat= 877, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 881, 882,
&end
#
# 57 THR HN 56 LEU HB- 5.50 (# 1148:20 Unique 3.48, 3.83 A)
&rst
ixpk= 1148, nxpk= 20, iat= 896, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 881, 882,
&end
#
# 56 LEU HA 56 LEU HB- 3.50 (# 1149:20 Unique 2.64, 2.84 A)
&rst
ixpk= 1149, nxpk= 20, iat= 879, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 881, 882,
&end
#
# 0 AMB 20-2:1151 56 LEU HB- 4.50 (# 1151:20 Single Ambig)
&rst
ixpk= 1151, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968, 747, 748, 749,
igr2= 881, 882,
&end
#
# 41 LEU MDX 56 LEU HB- 2.80 (# 1152:20 Unique 2.39, 4.97 A)
&rst
ixpk= 1152, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 881, 882,
&end
#
# 0 AMB 20-2:1153 56 LEU HB- 2.80 (# 1153:20 Single Ambig)
&rst
ixpk= 1153, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
igr1= 638, 639, 640, 642, 643, 644, 884,
igr2= 881, 882,
&end
#
# 56 LEU MDX 56 LEU HB- 3.50 (# 1154:20 Unique 2.38, 3.30 A)
&rst
ixpk= 1154, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 886, 887, 888, 890, 891, 892,
igr2= 881, 882,
&end
#
# 56 LEU HN 56 LEU HB+ 2.80 (# 1155:20 Unique 2.30, 2.48 A)
&rst
ixpk= 1155, nxpk= 20, iat= 877, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 881, 882,
&end
#
# 45 ASN HD2+ 56 LEU HB+ 5.50 (# 1156:20 Unique 3.17, 4.56 A)
&rst
ixpk= 1156, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 703, 704,
igr2= 881, 882,
&end
#
# 0 AMB 20-2:1157 0 AMB 20-1:1157 4.50 (# 1157:20 Double Ambig)
&rst
ixpk= 1157, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 684, 688, 682, 690,
igr2= 881, 882, 881, 882,
&end
#
# 56 LEU HG 56 LEU HB+ 2.80 (# 1159:20 Unique 2.58, 2.81 A)
&rst
ixpk= 1159, nxpk= 20, iat= 884, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 881, 882,
&end
#
# 15 THR MG2 56 LEU HB+ 5.50 (# 1160:20 Unique 2.60, 4.32 A)
&rst
ixpk= 1160, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 204, 205, 206,
igr2= 881, 882,
&end
#
# 9 GLY HN 9 GLY HA- 3.50 (# 1161:20 Unique 2.28, 2.72 A)
&rst
ixpk= 1161, nxpk= 20, iat= 118, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 120, 121,
&end
#
# 10 THR HN 9 GLY HA- 3.50 (# 1162:20 Unique 2.27, 2.88 A)
&rst
ixpk= 1162, nxpk= 20, iat= 125, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 120, 121,
&end
#
# 0 AMB 20-2:1163 9 GLY HA- 5.50 (# 1163:20 Single Ambig)
&rst
ixpk= 1163, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 112, 113, 114, 102, 103, 104,
igr2= 120, 121,
&end
#
# 116 GLY HN 116 GLY HA- 3.50 (# 1164:20 Unique 2.25, 2.62 A)
&rst
ixpk= 1164, nxpk= 20, iat=1778, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1780,1781,
&end
#
# 117 VAL HN 116 GLY HA- 2.80 (# 1165:20 Unique 2.65, 3.21 A)
&rst
ixpk= 1165, nxpk= 20, iat=1785, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1780,1781,
&end
#
# 117 VAL MGY 116 GLY HA- 5.50 (# 1167:20 Unique 4.37, 6.54 A)
&rst
ixpk= 1167, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1791,1792,1793,1795,1796,1797,
igr2=1780,1781,
&end
#
# 56 LEU HA 56 LEU HB+ 3.50 (# 1168:20 Unique 2.64, 2.84 A)
&rst
ixpk= 1168, nxpk= 20, iat= 879, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 881, 882,
&end
#
# 0 AMB 20-2:1169 0 AMB 20-1:1169 5.50 (# 1169:20 Double Ambig)
&rst
ixpk= 1169, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 962, 963, 964, 966, 967, 968, 747, 748, 749,
igr2= 881, 882, 881, 882,
&end
#
# 55 PRO HA 56 LEU HB+ 5.50 (# 1170:20 Unique 4.29, 4.56 A)
&rst
ixpk= 1170, nxpk= 20, iat= 873, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 881, 882,
&end
#
# 41 LEU MDX 56 LEU HB+ 3.50 (# 1171:20 Unique 2.39, 4.97 A)
&rst
ixpk= 1171, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 881, 882,
&end
#
# 56 LEU MDX 56 LEU HB+ 3.50 (# 1172:20 Unique 2.38, 3.30 A)
&rst
ixpk= 1172, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 886, 887, 888, 890, 891, 892,
igr2= 881, 882,
&end
#
# 89 GLY HN 89 GLY HA- 2.80 (# 1173:20 Unique 2.24, 2.60 A)
&rst
ixpk= 1173, nxpk= 20, iat=1370, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1372,1373,
&end
#
# 90 MET HN 89 GLY HA- 2.80 (# 1174:20 Unique 2.17, 2.70 A)
&rst
ixpk= 1174, nxpk= 20, iat=1377, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1372,1373,
&end
#
# 90 MET HN 89 GLY HA+ 3.50 (# 1176:20 Unique 2.17, 2.70 A)
&rst
ixpk= 1176, nxpk= 20, iat=1377, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1372,1373,
&end
#
# 89 GLY HN 89 GLY HA+ 2.80 (# 1177:20 Unique 2.24, 2.60 A)
&rst
ixpk= 1177, nxpk= 20, iat=1370, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1372,1373,
&end
#
# 31 ARG HA 31 ARG HD- 5.50 (# 1179:20 Unique 4.41, 4.76 A)
&rst
ixpk= 1179, nxpk= 20, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 452, 453,
&end
#
# 0 AMB 20-2:1180 0 AMB 20-1:1180 2.80 (# 1180:20 Double Ambig)
&rst
ixpk= 1180, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1722,1723, 446, 447,
igr2=1725,1726, 452, 453,
&end
#
# 31 ARG HG+ 31 ARG HD- 2.80 (# 1181:20 Unique 2.32, 2.70 A)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 449, 450,
igr2= 452, 453,
&end
#
# 26 VAL MGY 31 ARG HD- 4.50 (# 1182:20 Unique 2.21, 4.90 A)
&rst
ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 380, 381, 382, 384, 385, 386,
igr2= 452, 453,
&end
#
# 34 LEU HG 31 ARG HD- 4.50 (# 1183:20 Unique 3.07, 4.43 A)
&rst
ixpk= 1183, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 452, 453,
&end
#
# 31 ARG HB- 31 ARG HD+ 3.50 (# 1184:20 Unique 2.34, 3.02 A)
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 446, 447,
igr2= 452, 453,
&end
#
# 34 LEU HG 31 ARG HD+ 4.50 (# 1186:20 Unique 3.07, 4.43 A)
&rst
ixpk= 1186, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 452, 453,
&end
#
# 112 ARG HB- 112 ARG HD- 2.80 (# 1190:20 Unique 2.35, 3.22 A)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1719,1720,
igr2=1725,1726,
&end
#
# 31 ARG HA 31 ARG HD+ 5.50 (# 1192:20 Unique 4.41, 4.76 A)
&rst
ixpk= 1192, nxpk= 20, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 452, 453,
&end
#
# 2 ARG HA 2 ARG HD- 5.50 (# 1194:20 Unique 2.51, 4.52 A)
&rst
ixpk= 1194, nxpk= 20, iat= 18, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 26, 27,
&end
#
# 2 ARG HB+ 2 ARG HD- 4.50 (# 1195:20 Unique 2.31, 3.25 A)
&rst
ixpk= 1195, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 20, 21,
igr2= 26, 27,
&end
#
# 38 THR MG2 36 ARG HD- 5.50 (# 1196:20 Unique 4.65, 7.48 A)
&rst
ixpk= 1196, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 593, 594, 595,
igr2= 553, 554,
&end
#
# 37 PHE HE 36 ARG HD- 5.50 (# 1197:20 Unique 3.43, 6.48 A)
&rst
ixpk= 1197, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 577, 581,
igr2= 553, 554,
&end
#
# 36 ARG HA 36 ARG HD- 3.50 (# 1198:20 Unique 2.40, 3.31 A)
&rst
ixpk= 1198, nxpk= 20, iat= 545, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 553, 554,
&end
#
# 36 ARG HB- 36 ARG HD- 2.80 (# 1199:20 Unique 2.52, 3.36 A)
&rst
ixpk= 1199, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 547, 548,
igr2= 553, 554,
&end
#
# 36 ARG HB+ 36 ARG HD- 2.80 (# 1200:20 Unique 2.52, 3.36 A)
&rst
ixpk= 1200, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 547, 548,
igr2= 553, 554,
&end
#
# 36 ARG HG- 36 ARG HD- 2.80 (# 1201:20 Unique 2.34, 2.74 A)
&rst
ixpk= 1201, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 550, 551,
igr2= 553, 554,
&end
#
# 16 LEU HA 16 LEU HB- 4.50 (# 1203:20 Unique 2.47, 2.78 A)
&rst
ixpk= 1203, nxpk= 20, iat= 214, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 216, 217,
&end
#
# 16 LEU HN 16 LEU HB- 3.50 (# 1204:20 Unique 2.31, 2.45 A)
&rst
ixpk= 1204, nxpk= 20, iat= 212, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 216, 217,
&end
#
# 17 ASN HN 16 LEU HB- 4.50 (# 1206:20 Unique 2.51, 3.23 A)
&rst
ixpk= 1206, nxpk= 20, iat= 231, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 216, 217,
&end
#
# 0 AMB 20-2:1207 16 LEU HB- 2.80 (# 1207:20 Single Ambig)
&rst
ixpk= 1207, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
igr1= 221, 222, 223, 225, 226, 227, 219,
igr2= 216, 217,
&end
#
# 16 LEU HN 16 LEU HB+ 3.50 (# 1208:20 Unique 2.31, 2.45 A)
&rst
ixpk= 1208, nxpk= 20, iat= 212, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 216, 217,
&end
#
# 103 ASP HA 103 ASP HB- 3.50 (# 1211:20 Unique 2.24, 2.50 A)
&rst
ixpk= 1211, nxpk= 20, iat=1578, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1580,1581,
&end
#
# 18 VAL MGY 103 ASP HB- 2.80 (# 1212:20 Unique 2.23, 4.53 A)
&rst
ixpk= 1212, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 251, 252, 253, 255, 256, 257,
igr2=1580,1581,
&end
#
# 13 THR MG2 103 ASP HB- 4.50 (# 1213:20 Unique 2.42, 3.48 A)
&rst
ixpk= 1213, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 171, 172, 173,
igr2=1580,1581,
&end
#
# 14 ILE HN 103 ASP HB- 5.50 (# 1215:20 Unique 2.94, 3.71 A)
&rst
ixpk= 1215, nxpk= 20, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1580,1581,
&end
#
# 20 ALA HN 19 LEU HB- 5.50 (# 1216:20 Unique 2.56, 3.12 A)
&rst
ixpk= 1216, nxpk= 20, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 265, 266,
&end
#
# 19 LEU HN 19 LEU HB- 3.50 (# 1217:20 Unique 2.38, 3.01 A)
&rst
ixpk= 1217, nxpk= 20, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 265, 266,
&end
#
# 19 LEU HA 19 LEU HB- 5.50 (# 1218:20 Unique 2.53, 2.79 A)
&rst
ixpk= 1218, nxpk= 20, iat= 263, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 265, 266,
&end
#
# 64 LEU MDX 19 LEU HB- 3.50 (# 1220:20 Unique 2.54, 3.70 A)
&rst
ixpk= 1220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1012,1013,1014,1016,1017,1018,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:1221 19 LEU HB- 2.80 (# 1221:20 Single Ambig)
&rst
ixpk= 1221, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
igr2= 265, 266,
&end
#
# 19 LEU HG 19 LEU HB- 5.50 (# 1223:20 Unique 2.58, 2.83 A)
&rst
ixpk= 1223, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 265, 266,
&end
#
# 103 ASP HA 103 ASP HB+ 3.50 (# 1225:20 Unique 2.24, 2.50 A)
&rst
ixpk= 1225, nxpk= 20, iat=1578, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1580,1581,
&end
#
# 13 THR MG2 103 ASP HB+ 4.50 (# 1226:20 Unique 2.42, 3.48 A)
&rst
ixpk= 1226, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 171, 172, 173,
igr2=1580,1581,
&end
#
# 20 ALA HN 19 LEU HB+ 5.50 (# 1228:20 Unique 2.56, 3.12 A)
&rst
ixpk= 1228, nxpk= 20, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 265, 266,
&end
#
# 19 LEU HA 19 LEU HB+ 3.50 (# 1229:20 Unique 2.53, 2.79 A)
&rst
ixpk= 1229, nxpk= 20, iat= 263, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:1230 0 AMB 20-1:1230 2.80 (# 1230:20 Double Ambig)
&rst
ixpk= 1230, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
igr2= 265, 266, 265, 266,
&end
#
# 19 LEU HG 19 LEU HB+ 4.50 (# 1231:20 Unique 2.58, 2.83 A)
&rst
ixpk= 1231, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 265, 266,
&end
#
# 16 LEU HA 16 LEU HB+ 3.50 (# 1232:20 Unique 2.47, 2.78 A)
&rst
ixpk= 1232, nxpk= 20, iat= 214, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 216, 217,
&end
#
# 0 AMB 20-2:1233 0 AMB 20-1:1233 2.80 (# 1233:20 Double Ambig)
&rst
ixpk= 1233, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
igr1= 221, 222, 223, 225, 226, 227, 219,
igr2= 216, 217, 216, 217,
&end
#
# 19 LEU HN 19 LEU HB+ 4.50 (# 1234:20 Unique 2.38, 3.01 A)
&rst
ixpk= 1234, nxpk= 20, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 265, 266,
&end
#
# 64 LEU HN 64 LEU HB- 3.50 (# 1235:20 Unique 2.43, 3.04 A)
&rst
ixpk= 1235, nxpk= 20, iat=1003, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1007,1008,
&end
#
# 0 AMB 20-2:1237 64 LEU HB- 2.80 (# 1237:20 Single Ambig)
&rst
ixpk= 1237, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1156,1157,1158,1160,1161,1162,1012,1013,1014,1016,
1017,1018,
igr2=1007,1008,
&end
#
# 64 LEU HN 64 LEU HB+ 4.50 (# 1239:20 Unique 2.43, 3.04 A)
&rst
ixpk= 1239, nxpk= 20, iat=1003, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1007,1008,
&end
#
# 75 VAL MGX 64 LEU HB+ 3.50 (# 1241:20 Unique 2.32, 4.03 A)
&rst
ixpk= 1241, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1156,1157,1158,1160,1161,1162,
igr2=1007,1008,
&end
#
# 64 LEU HA 64 LEU HB- 3.50 (# 1242:20 Unique 2.48, 2.76 A)
&rst
ixpk= 1242, nxpk= 20, iat=1005, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1007,1008,
&end
#
# 85 LEU HN 85 LEU HB- 3.50 (# 1243:20 Unique 2.13, 2.86 A)
&rst
ixpk= 1243, nxpk= 20, iat=1301, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1305,1306,
&end
#
# 86 LEU HN 85 LEU HB- 4.50 (# 1244:20 Unique 2.77, 3.49 A)
&rst
ixpk= 1244, nxpk= 20, iat=1320, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1305,1306,
&end
#
# 21 TRP HH2 85 LEU HB- 5.50 (# 1245:20 Unique 5.69, 6.33 A)
&rst
ixpk= 1245, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1305,1306,
&end
#
# 0 AMB 20-2:1246 85 LEU HB- 3.50 (# 1246:20 Single Ambig)
&rst
ixpk= 1246, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1303,1372,1373,
igr2=1305,1306,
&end
#
# 93 ARG HB- 93 ARG HD+ 2.80 (# 1247:20 Unique 2.41, 3.22 A)
&rst
ixpk= 1247, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1419,1420,
igr2=1425,1426,
&end
#
# 85 LEU HG 85 LEU HB- 3.50 (# 1248:20 Unique 2.24, 2.37 A)
&rst
ixpk= 1248, nxpk= 20, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1305,1306,
&end
#
# 93 ARG HA 93 ARG HD- 5.50 (# 1251:20 Unique 2.27, 4.31 A)
&rst
ixpk= 1251, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1425,1426,
&end
#
# 0 AMB 20-2:1252 93 ARG HD- 5.50 (# 1252:20 Single Ambig)
&rst
ixpk= 1252, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1403,1404,1415,
igr2=1425,1426,
&end
#
# 85 LEU HN 85 LEU HB+ 3.50 (# 1253:20 Unique 2.13, 2.86 A)
&rst
ixpk= 1253, nxpk= 20, iat=1301, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1305,1306,
&end
#
# 0 AMB 20-2:1254 0 AMB 20-1:1254 2.80 (# 1254:20 Double Ambig)
&rst
ixpk= 1254, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1303,1372,1373,
igr2=1305,1306,1305,1306,
&end
#
# 86 LEU HN 85 LEU HB+ 5.50 (# 1255:20 Unique 2.77, 3.49 A)
&rst
ixpk= 1255, nxpk= 20, iat=1320, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1305,1306,
&end
#
# 0 AMB 20-2:1257 0 AMB 20-1:1257 2.80 (# 1257:20 Double Ambig)
&rst
ixpk= 1257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1551,1552,1553,1555,1556,1557,1310,1311,1312,1314,
1315,1316,
igr2=1305,1306,1305,1306,
&end
#
# 85 LEU HG 85 LEU HB+ 3.50 (# 1258:20 Unique 2.24, 2.37 A)
&rst
ixpk= 1258, nxpk= 20, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1305,1306,
&end
#
# 51 TYR HE 50 LYS HE- 5.50 (# 1259:20 Unique 2.50, 6.23 A)
&rst
ixpk= 1259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 802, 807,
igr2= 783, 784,
&end
#
# 50 LYS HD+ 50 LYS HE- 2.80 (# 1260:20 Unique 2.33, 2.71 A)
&rst
ixpk= 1260, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 780, 781,
igr2= 783, 784,
&end
#
# 50 LYS HG- 50 LYS HE- 3.50 (# 1261:20 Unique 2.41, 3.15 A)
&rst
ixpk= 1261, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 777, 778,
igr2= 783, 784,
&end
#
# 93 ARG HA 93 ARG HD+ 4.50 (# 1263:20 Unique 2.27, 4.31 A)
&rst
ixpk= 1263, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1425,1426,
&end
#
# 46 LEU MDX 46 LEU HB- 2.80 (# 1266:20 Unique 2.42, 3.31 A)
&rst
ixpk= 1266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 717, 718, 719, 721, 722, 723,
igr2= 712, 713,
&end
#
# 46 LEU HN 46 LEU HB- 2.80 (# 1267:20 Unique 2.32, 2.97 A)
&rst
ixpk= 1267, nxpk= 20, iat= 708, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 712, 713,
&end
#
# 43 ASP HA 46 LEU HB- 4.50 (# 1268:20 Unique 2.53, 3.50 A)
&rst
ixpk= 1268, nxpk= 20, iat= 664, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 712, 713,
&end
#
# 46 LEU HA 46 LEU HB- 2.80 (# 1269:20 Unique 2.59, 2.82 A)
&rst
ixpk= 1269, nxpk= 20, iat= 710, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 712, 713,
&end
#
# 47 VAL HN 46 LEU HB- 3.50 (# 1271:20 Unique 2.83, 3.31 A)
&rst
ixpk= 1271, nxpk= 20, iat= 727, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 712, 713,
&end
#
# 93 ARG HB- 93 ARG HD- 3.50 (# 1273:20 Unique 2.41, 3.22 A)
&rst
ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1419,1420,
igr2=1425,1426,
&end
#
# 0 AMB 20-2:1274 93 ARG HD- 2.80 (# 1274:20 Single Ambig)
&rst
ixpk= 1274, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1422,1423,1422,1423,
igr2=1425,1426,
&end
#
# 47 VAL HN 46 LEU HB+ 4.50 (# 1275:20 Unique 2.83, 3.31 A)
&rst
ixpk= 1275, nxpk= 20, iat= 727, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 712, 713,
&end
#
# 46 LEU HN 46 LEU HB+ 3.50 (# 1276:20 Unique 2.32, 2.97 A)
&rst
ixpk= 1276, nxpk= 20, iat= 708, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 712, 713,
&end
#
# 46 LEU HA 46 LEU HB+ 2.80 (# 1277:20 Unique 2.59, 2.82 A)
&rst
ixpk= 1277, nxpk= 20, iat= 710, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 712, 713,
&end
#
# 0 AMB 20-2:1279 0 AMB 20-1:1279 2.80 (# 1279:20 Double Ambig)
&rst
ixpk= 1279, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 717, 718, 719, 721, 722, 723, 717, 718, 719, 721,
722, 723,
igr2= 712, 713, 712, 713,
&end
#
# 85 LEU MDX 85 LEU HB+ 3.50 (# 1280:20 Unique 2.36, 3.58 A)
&rst
ixpk= 1280, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1310,1311,1312,1314,1315,1316,
igr2=1305,1306,
&end
#
# 50 LYS HB+ 50 LYS HE- 5.50 (# 1281:20 Unique 2.07, 4.07 A)
&rst
ixpk= 1281, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 774, 775,
igr2= 783, 784,
&end
#
# 50 LYS HB- 50 LYS HE- 5.50 (# 1282:20 Unique 2.07, 4.07 A)
&rst
ixpk= 1282, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 774, 775,
igr2= 783, 784,
&end
#
# 50 LYS HG+ 50 LYS HE- 2.80 (# 1283:20 Unique 2.41, 3.15 A)
&rst
ixpk= 1283, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 777, 778,
igr2= 783, 784,
&end
#
# 50 LYS HB+ 50 LYS HE- 5.50 (# 1284:20 Unique 2.07, 4.07 A)
&rst
ixpk= 1284, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 774, 775,
igr2= 783, 784,
&end
#
# 43 ASP HA 46 LEU HB+ 5.50 (# 1285:20 Unique 2.53, 3.50 A)
&rst
ixpk= 1285, nxpk= 20, iat= 664, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 712, 713,
&end
#
# 101 LEU HN 100 ILE HB 2.80 (# 1286:20 Unique 2.30, 2.41 A)
&rst
ixpk= 1286, nxpk= 20, iat=1542,1527, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 100 ILE HA 100 ILE HB 2.80 (# 1287:20 Unique 2.64, 2.69 A)
&rst
ixpk= 1287, nxpk= 20, iat=1525,1527, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 100 ILE HG1+ 100 ILE HB 2.80 (# 1288:20 Unique 2.49, 2.78 A)
&rst
ixpk= 1288, nxpk= 20, iat= -1,1527, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1533,1534,
&end
#
# 100 ILE QG2 100 ILE HB 2.80 (# 1289:20 Unique 2.38, 2.62 A)
&rst
ixpk= 1289, nxpk= 20, iat= -1,1527, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1529,1530,1531,
&end
#
# 100 ILE QD1 100 ILE HB 2.80 (# 1290:20 Unique 2.42, 3.07 A)
&rst
ixpk= 1290, nxpk= 20, iat= -1,1527, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1536,1537,1538,
&end
#
# 45 ASN HD2- 41 LEU HB- 5.50 (# 1291:20 Unique 3.82, 4.95 A)
&rst
ixpk= 1291, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 703, 704,
igr2= 633, 634,
&end
#
# 39 THR HB 83 LYS HE- 5.50 (# 1292:20 Unique 3.71, 5.41 A)
&rst
ixpk= 1292, nxpk= 20, iat= 605, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1277,1278,
&end
#
# 0 AMB 20-2:1293 83 LYS HE- 5.50 (# 1293:20 Single Ambig)
&rst
ixpk= 1293, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1266, 729,
igr2=1277,1278,
&end
#
# 83 LYS HB- 83 LYS HE- 5.50 (# 1295:20 Unique 2.10, 4.15 A)
&rst
ixpk= 1295, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1268,1269,
igr2=1277,1278,
&end
#
# 0 AMB 20-2:1296 83 LYS HE- 5.50 (# 1296:20 Single Ambig)
&rst
ixpk= 1296, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 731,1218,1219,
igr2=1277,1278,
&end
#
# 0 AMB 20-2:1297 83 LYS HE- 2.80 (# 1297:20 Single Ambig)
&rst
ixpk= 1297, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1274,1275,1274,1275,
igr2=1277,1278,
&end
#
# 83 LYS HG- 83 LYS HE- 2.80 (# 1298:20 Unique 2.43, 2.94 A)
&rst
ixpk= 1298, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1271,1272,
igr2=1277,1278,
&end
#
# 39 THR MG2 83 LYS HE- 5.50 (# 1299:20 Unique 2.39, 5.54 A)
&rst
ixpk= 1299, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 607, 608, 609,
igr2=1277,1278,
&end
#
# 47 VAL MGX 83 LYS HE- 2.80 (# 1300:20 Unique 1.98, 4.71 A)
&rst
ixpk= 1300, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1277,1278,
&end
#
# 44 PHE HD 83 LYS HE- 5.50 (# 1301:20 Unique 2.34, 7.32 A)
&rst
ixpk= 1301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 682, 690,
igr2=1277,1278,
&end
#
# 83 LYS HB+ 83 LYS HE- 5.50 (# 1302:20 Unique 2.10, 4.15 A)
&rst
ixpk= 1302, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1268,1269,
igr2=1277,1278,
&end
#
# 47 VAL MGY 83 LYS HE- 5.50 (# 1303:20 Unique 1.98, 4.71 A)
&rst
ixpk= 1303, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1277,1278,
&end
#
# 33 PHE HE 30 ASP HB- 4.50 (# 1304:20 Unique 3.89, 6.91 A)
&rst
ixpk= 1304, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 500, 504,
igr2= 434, 435,
&end
#
# 30 ASP HA 30 ASP HB- 3.50 (# 1306:20 Unique 2.40, 2.75 A)
&rst
ixpk= 1306, nxpk= 20, iat= 432, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:1307 30 ASP HB- 3.50 (# 1307:20 Single Ambig)
&rst
ixpk= 1307, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 368, 369, 370,1479,
igr2= 434, 435,
&end
#
# 30 ASP HN 30 ASP HB- 3.50 (# 1308:20 Unique 2.52, 2.86 A)
&rst
ixpk= 1308, nxpk= 20, iat= 430, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 434, 435,
&end
#
# 95 ILE QG2 30 ASP HB- 5.50 (# 1309:20 Unique 4.02, 5.93 A)
&rst
ixpk= 1309, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1459,1460,1461,
igr2= 434, 435,
&end
#
# 30 ASP HN 30 ASP HB+ 2.80 (# 1311:20 Unique 2.52, 2.86 A)
&rst
ixpk= 1311, nxpk= 20, iat= 430, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 434, 435,
&end
#
# 0 AMB 20-2:1312 0 AMB 20-1:1312 2.80 (# 1312:20 Double Ambig)
&rst
ixpk= 1312, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 368, 369, 370,1479,
igr2= 434, 435, 434, 435,
&end
#
# 30 ASP HA 30 ASP HB+ 3.50 (# 1313:20 Unique 2.40, 2.75 A)
&rst
ixpk= 1313, nxpk= 20, iat= 432, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 434, 435,
&end
#
# 96 LEU HN 30 ASP HB+ 5.50 (# 1314:20 Unique 3.08, 3.72 A)
&rst
ixpk= 1314, nxpk= 20, iat=1472, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 434, 435,
&end
#
# 33 PHE HE 30 ASP HB+ 5.50 (# 1315:20 Unique 3.89, 6.91 A)
&rst
ixpk= 1315, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 500, 504,
igr2= 434, 435,
&end
#
# 96 LEU MDY 30 ASP HB+ 5.50 (# 1316:20 Unique 2.56, 5.93 A)
&rst
ixpk= 1316, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1481,1482,1483,1485,1486,1487,
igr2= 434, 435,
&end
#
# 41 LEU MDX 41 LEU HB- 2.80 (# 1317:20 Unique 2.34, 3.31 A)
&rst
ixpk= 1317, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 633, 634,
&end
#
# 41 LEU HN 41 LEU HB- 2.80 (# 1318:20 Unique 2.11, 2.77 A)
&rst
ixpk= 1318, nxpk= 20, iat= 629, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 633, 634,
&end
#
# 42 ASN HN 41 LEU HB- 2.80 (# 1319:20 Unique 2.75, 3.05 A)
&rst
ixpk= 1319, nxpk= 20, iat= 648, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 633, 634,
&end
#
# 45 ASN HD2+ 41 LEU HB- 5.50 (# 1320:20 Unique 3.82, 4.95 A)
&rst
ixpk= 1320, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 703, 704,
igr2= 633, 634,
&end
#
# 41 LEU HA 41 LEU HB- 2.80 (# 1322:20 Unique 2.70, 2.89 A)
&rst
ixpk= 1322, nxpk= 20, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 633, 634,
&end
#
# 0 AMB 20-2:1323 41 LEU HB- 5.50 (# 1323:20 Single Ambig)
&rst
ixpk= 1323, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 652, 653, 698, 699,
igr2= 633, 634,
&end
#
# 41 LEU MDY 41 LEU HB- 2.80 (# 1324:20 Unique 2.34, 3.31 A)
&rst
ixpk= 1324, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 633, 634,
&end
#
# 105 PHE HA 109 ASP HB- 5.50 (# 1325:20 Unique 3.13, 3.80 A)
&rst
ixpk= 1325, nxpk= 20, iat=1605, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1675,1676,
&end
#
# 47 VAL MGY 83 LYS HE- 5.50 (# 1327:20 Unique 1.98, 4.71 A)
&rst
ixpk= 1327, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1277,1278,
&end
#
# 87 GLN HE2+ 83 LYS HE- 5.50 (# 1328:20 Unique 2.59, 4.18 A)
&rst
ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1351,1352,
igr2=1277,1278,
&end
#
# 87 GLN HE2- 83 LYS HE- 5.50 (# 1329:20 Unique 2.59, 4.18 A)
&rst
ixpk= 1329, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1351,1352,
igr2=1277,1278,
&end
#
# 44 PHE HA 83 LYS HE- 4.50 (# 1330:20 Unique 2.13, 4.89 A)
&rst
ixpk= 1330, nxpk= 20, iat= 676, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1277,1278,
&end
#
# 110 VAL HN 109 ASP HB+ 3.50 (# 1331:20 Unique 2.47, 3.26 A)
&rst
ixpk= 1331, nxpk= 20, iat=1683, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1675,1676,
&end
#
# 0 AMB 20-2:1332 30 ASP HB- 5.50 (# 1332:20 Single Ambig)
&rst
ixpk= 1332, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 474, 409,
igr2= 434, 435,
&end
#
# 110 VAL MGX 109 ASP HB+ 5.50 (# 1334:20 Unique 3.11, 6.20 A)
&rst
ixpk= 1334, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1689,1690,1691,1693,1694,1695,
igr2=1675,1676,
&end
#
# 95 ILE QG2 30 ASP HB+ 5.50 (# 1335:20 Unique 4.02, 5.93 A)
&rst
ixpk= 1335, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1459,1460,1461,
igr2= 434, 435,
&end
#
# 109 ASP HN 109 ASP HB- 3.50 (# 1336:20 Unique 2.44, 2.63 A)
&rst
ixpk= 1336, nxpk= 20, iat=1671, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1675,1676,
&end
#
# 110 VAL HN 109 ASP HB- 3.50 (# 1337:20 Unique 2.47, 3.26 A)
&rst
ixpk= 1337, nxpk= 20, iat=1683, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1675,1676,
&end
#
# 106 THR HN 109 ASP HB- 3.50 (# 1338:20 Unique 2.80, 3.27 A)
&rst
ixpk= 1338, nxpk= 20, iat=1623, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1675,1676,
&end
#
# 110 VAL MGX 109 ASP HB- 5.50 (# 1340:20 Unique 3.11, 6.20 A)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1689,1690,1691,1693,1694,1695,
igr2=1675,1676,
&end
#
# 109 ASP HA 109 ASP HB- 3.50 (# 1341:20 Unique 2.44, 2.75 A)
&rst
ixpk= 1341, nxpk= 20, iat=1673, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1675,1676,
&end
#
# 106 THR HN 109 ASP HB+ 4.50 (# 1342:20 Unique 2.80, 3.27 A)
&rst
ixpk= 1342, nxpk= 20, iat=1623, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1675,1676,
&end
#
# 109 ASP HN 109 ASP HB+ 3.50 (# 1343:20 Unique 2.44, 2.63 A)
&rst
ixpk= 1343, nxpk= 20, iat=1671, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1675,1676,
&end
#
# 109 ASP HA 109 ASP HB+ 2.80 (# 1344:20 Unique 2.44, 2.75 A)
&rst
ixpk= 1344, nxpk= 20, iat=1673, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1675,1676,
&end
#
# 11 ASP HN 11 ASP HB- 4.50 (# 1348:20 Unique 2.36, 2.94 A)
&rst
ixpk= 1348, nxpk= 20, iat= 139, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 143, 144,
&end
#
# 11 ASP HA 11 ASP HB+ 2.80 (# 1350:20 Unique 2.40, 2.75 A)
&rst
ixpk= 1350, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 143, 144,
&end
#
# 113 GLN HE2+ 109 ASP HB- 5.50 (# 1351:20 Unique 3.59, 5.66 A)
&rst
ixpk= 1351, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1751,1752,
igr2=1675,1676,
&end
#
# 0 AMB 20-2:1352 109 ASP HB- 5.50 (# 1352:20 Single Ambig)
&rst
ixpk= 1352, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 284, 285, 286,1629,1630,1631, 358, 359, 360,
igr2=1675,1676,
&end
#
# 11 ASP HA 11 ASP HB- 2.80 (# 1353:20 Unique 2.40, 2.75 A)
&rst
ixpk= 1353, nxpk= 20, iat= 141, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 143, 144,
&end
#
# 12 THR HN 11 ASP HB- 4.50 (# 1354:20 Unique 2.47, 3.71 A)
&rst
ixpk= 1354, nxpk= 20, iat= 151, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 143, 144,
&end
#
# 12 THR HN 11 ASP HB+ 4.50 (# 1355:20 Unique 2.47, 3.71 A)
&rst
ixpk= 1355, nxpk= 20, iat= 151, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 143, 144,
&end
#
# 11 ASP HN 11 ASP HB+ 4.50 (# 1356:20 Unique 2.36, 2.94 A)
&rst
ixpk= 1356, nxpk= 20, iat= 139, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 143, 144,
&end
#
# 22 LEU MDY 22 LEU HB- 2.80 (# 1358:20 Unique 2.36, 3.35 A)
&rst
ixpk= 1358, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 323, 324, 325, 327, 328, 329,
igr2= 318, 319,
&end
#
# 22 LEU MDX 22 LEU HB- 4.50 (# 1359:20 Unique 2.36, 3.35 A)
&rst
ixpk= 1359, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 323, 324, 325, 327, 328, 329,
igr2= 318, 319,
&end
#
# 23 TYR HN 22 LEU HB- 4.50 (# 1360:20 Unique 2.56, 3.09 A)
&rst
ixpk= 1360, nxpk= 20, iat= 333, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 318, 319,
&end
#
# 19 LEU HA 22 LEU HB- 3.50 (# 1361:20 Unique 2.59, 3.50 A)
&rst
ixpk= 1361, nxpk= 20, iat= 263, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 318, 319,
&end
#
# 22 LEU HN 22 LEU HB- 3.50 (# 1363:20 Unique 2.41, 3.05 A)
&rst
ixpk= 1363, nxpk= 20, iat= 314, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 318, 319,
&end
#
# 22 LEU HA 22 LEU HB+ 3.50 (# 1364:20 Unique 2.47, 2.78 A)
&rst
ixpk= 1364, nxpk= 20, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 318, 319,
&end
#
# 22 LEU MDX 22 LEU HB+ 4.50 (# 1365:20 Unique 2.36, 3.35 A)
&rst
ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 323, 324, 325, 327, 328, 329,
igr2= 318, 319,
&end
#
# 22 LEU HN 22 LEU HB+ 4.50 (# 1366:20 Unique 2.41, 3.05 A)
&rst
ixpk= 1366, nxpk= 20, iat= 314, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 318, 319,
&end
#
# 19 LEU HA 22 LEU HB+ 3.50 (# 1367:20 Unique 2.59, 3.50 A)
&rst
ixpk= 1367, nxpk= 20, iat= 263, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 318, 319,
&end
#
# 33 PHE HE 22 LEU HB+ 5.50 (# 1368:20 Unique 2.15, 4.59 A)
&rst
ixpk= 1368, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 500, 504,
igr2= 318, 319,
&end
#
# 35 ASN HN 34 LEU HB+ 4.50 (# 1370:20 Unique 2.39, 3.33 A)
&rst
ixpk= 1370, nxpk= 20, iat= 529, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 514, 515,
&end
#
# 83 LYS HA 86 LEU HB- 5.50 (# 1371:20 Unique 2.66, 3.60 A)
&rst
ixpk= 1371, nxpk= 20, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1324,1325,
&end
#
# 86 LEU HA 86 LEU HB- 3.50 (# 1372:20 Unique 2.46, 2.79 A)
&rst
ixpk= 1372, nxpk= 20, iat=1322, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1324,1325,
&end
#
# 86 LEU MDY 86 LEU HB- 3.50 (# 1373:20 Unique 2.43, 3.32 A)
&rst
ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1329,1330,1331,1333,1334,1335,
igr2=1324,1325,
&end
#
# 87 GLN HN 86 LEU HB- 4.50 (# 1375:20 Unique 2.39, 3.02 A)
&rst
ixpk= 1375, nxpk= 20, iat=1339, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1324,1325,
&end
#
# 86 LEU MDX 86 LEU HB- 3.50 (# 1376:20 Unique 2.43, 3.32 A)
&rst
ixpk= 1376, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1329,1330,1331,1333,1334,1335,
igr2=1324,1325,
&end
#
# 83 LYS HA 86 LEU HB+ 5.50 (# 1377:20 Unique 2.66, 3.60 A)
&rst
ixpk= 1377, nxpk= 20, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1324,1325,
&end
#
# 47 VAL MGY 86 LEU HB+ 5.50 (# 1378:20 Unique 2.92, 5.10 A)
&rst
ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1324,1325,
&end
#
# 86 LEU HN 86 LEU HB+ 4.50 (# 1379:20 Unique 2.15, 3.04 A)
&rst
ixpk= 1379, nxpk= 20, iat=1320, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1324,1325,
&end
#
# 86 LEU HA 86 LEU HB+ 3.50 (# 1380:20 Unique 2.46, 2.79 A)
&rst
ixpk= 1380, nxpk= 20, iat=1322, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1324,1325,
&end
#
# 86 LEU MDY 86 LEU HB+ 2.80 (# 1382:20 Unique 2.43, 3.32 A)
&rst
ixpk= 1382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1329,1330,1331,1333,1334,1335,
igr2=1324,1325,
&end
#
# 87 GLN HN 86 LEU HB+ 5.50 (# 1384:20 Unique 2.39, 3.02 A)
&rst
ixpk= 1384, nxpk= 20, iat=1339, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1324,1325,
&end
#
# 88 ASN HD2- 88 ASN HB- 3.50 (# 1385:20 Unique 2.29, 3.43 A)
&rst
ixpk= 1385, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1365,1366,
igr2=1360,1361,
&end
#
# 88 ASN HA 88 ASN HB- 2.80 (# 1386:20 Unique 2.21, 2.61 A)
&rst
ixpk= 1386, nxpk= 20, iat=1358, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1360,1361,
&end
#
# 85 LEU HA 88 ASN HB- 5.50 (# 1387:20 Unique 2.52, 5.02 A)
&rst
ixpk= 1387, nxpk= 20, iat=1303, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1360,1361,
&end
#
# 79 CYS HA 82 LEU HB- 4.50 (# 1390:20 Unique 2.75, 3.28 A)
&rst
ixpk= 1390, nxpk= 20, iat=1216, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1249,1250,
&end
#
# 82 LEU HG 82 LEU HB- 2.80 (# 1392:20 Unique 2.28, 2.39 A)
&rst
ixpk= 1392, nxpk= 20, iat=1252, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1249,1250,
&end
#
# 82 LEU HN 82 LEU HB- 3.50 (# 1393:20 Unique 2.28, 2.44 A)
&rst
ixpk= 1393, nxpk= 20, iat=1245, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1249,1250,
&end
#
# 82 LEU HA 82 LEU HB- 3.50 (# 1394:20 Unique 2.46, 2.77 A)
&rst
ixpk= 1394, nxpk= 20, iat=1247, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1249,1250,
&end
#
# 79 CYS HA 82 LEU HB- 4.50 (# 1395:20 Unique 2.75, 3.28 A)
&rst
ixpk= 1395, nxpk= 20, iat=1216, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1249,1250,
&end
#
# 22 LEU HA 22 LEU HB- 4.50 (# 1396:20 Unique 2.47, 2.78 A)
&rst
ixpk= 1396, nxpk= 20, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 318, 319,
&end
#
# 0 AMB 20-2:1397 22 LEU HB- 4.50 (# 1397:20 Single Ambig)
&rst
ixpk= 1397, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
igr1=1252,1012,1013,1014,1016,1017,1018,
igr2= 318, 319,
&end
#
# 90 MET ME 95 ILE HB 4.50 (# 1398:20 Unique 2.16, 3.27 A)
&rst
ixpk= 1398, nxpk= 20, iat= -1,1457, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1388,1389,1390,
&end
#
# 34 LEU HN 34 LEU HB- 3.50 (# 1399:20 Unique 2.19, 2.90 A)
&rst
ixpk= 1399, nxpk= 20, iat= 510, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 514, 515,
&end
#
# 34 LEU HG 34 LEU HB- 2.80 (# 1401:20 Unique 2.20, 2.50 A)
&rst
ixpk= 1401, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 514, 515,
&end
#
# 34 LEU MDX 34 LEU HB- 2.80 (# 1402:20 Unique 2.37, 3.51 A)
&rst
ixpk= 1402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 519, 520, 521, 523, 524, 525,
igr2= 514, 515,
&end
#
# 34 LEU HA 34 LEU HB- 3.50 (# 1403:20 Unique 2.45, 2.82 A)
&rst
ixpk= 1403, nxpk= 20, iat= 512, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 514, 515,
&end
#
# 35 ASN HN 34 LEU HB- 5.50 (# 1404:20 Unique 2.39, 3.33 A)
&rst
ixpk= 1404, nxpk= 20, iat= 529, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 514, 515,
&end
#
# 22 LEU MDY 22 LEU HB+ 2.80 (# 1405:20 Unique 2.36, 3.35 A)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 323, 324, 325, 327, 328, 329,
igr2= 318, 319,
&end
#
# 0 AMB 20-2:1406 0 AMB 20-1:1406 4.50 (# 1406:20 Double Ambig)
&rst
ixpk= 1406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.84, r4= 8.59,
igr1=1252,1012,1013,1014,1016,1017,1018,
igr2= 318, 319, 318, 319,
&end
#
# 34 LEU HA 34 LEU HB+ 2.80 (# 1407:20 Unique 2.45, 2.82 A)
&rst
ixpk= 1407, nxpk= 20, iat= 512, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 514, 515,
&end
#
# 34 LEU HN 34 LEU HB+ 3.50 (# 1408:20 Unique 2.19, 2.90 A)
&rst
ixpk= 1408, nxpk= 20, iat= 510, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 514, 515,
&end
#
# 34 LEU HG 34 LEU HB+ 2.80 (# 1410:20 Unique 2.20, 2.50 A)
&rst
ixpk= 1410, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 514, 515,
&end
#
# 34 LEU MDX 34 LEU HB+ 2.80 (# 1411:20 Unique 2.37, 3.51 A)
&rst
ixpk= 1411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 519, 520, 521, 523, 524, 525,
igr2= 514, 515,
&end
#
# 82 LEU HN 82 LEU HB+ 2.80 (# 1412:20 Unique 2.28, 2.44 A)
&rst
ixpk= 1412, nxpk= 20, iat=1245, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1249,1250,
&end
#
# 82 LEU HA 82 LEU HB+ 3.50 (# 1413:20 Unique 2.46, 2.77 A)
&rst
ixpk= 1413, nxpk= 20, iat=1247, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1249,1250,
&end
#
# 44 PHE HE 82 LEU HB+ 5.50 (# 1415:20 Unique 2.10, 4.43 A)
&rst
ixpk= 1415, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 684, 688,
igr2=1249,1250,
&end
#
# 82 LEU HG 82 LEU HB+ 3.50 (# 1416:20 Unique 2.28, 2.39 A)
&rst
ixpk= 1416, nxpk= 20, iat=1252, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1249,1250,
&end
#
# 22 LEU MDY 82 LEU HB+ 3.50 (# 1417:20 Unique 2.28, 5.04 A)
&rst
ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 323, 324, 325, 327, 328, 329,
igr2=1249,1250,
&end
#
# 67 LEU HA 67 LEU HB- 3.50 (# 1418:20 Unique 2.48, 2.77 A)
&rst
ixpk= 1418, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1047,1048,
&end
#
# 67 LEU HN 67 LEU HB- 3.50 (# 1419:20 Unique 2.44, 3.05 A)
&rst
ixpk= 1419, nxpk= 20, iat=1043, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1047,1048,
&end
#
# 88 ASN HN 88 ASN HB- 2.80 (# 1420:20 Unique 2.33, 3.21 A)
&rst
ixpk= 1420, nxpk= 20, iat=1356, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1360,1361,
&end
#
# 0 AMB 20-2:1421 88 ASN HB- 2.80 (# 1421:20 Single Ambig)
&rst
ixpk= 1421, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1365,1366,1370,
igr2=1360,1361,
&end
#
# 0 AMB 20-2:1422 88 ASN HB- 5.50 (# 1422:20 Single Ambig)
&rst
ixpk= 1422, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1288,1341,
igr2=1360,1361,
&end
#
# 44 PHE HN 43 ASP HB- 2.80 (# 1424:20 Unique 2.48, 3.25 A)
&rst
ixpk= 1424, nxpk= 20, iat= 674, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 666, 667,
&end
#
# 40 THR HN 43 ASP HB- 4.50 (# 1425:20 Unique 2.58, 3.59 A)
&rst
ixpk= 1425, nxpk= 20, iat= 615, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 666, 667,
&end
#
# 43 ASP HN 43 ASP HB- 2.80 (# 1426:20 Unique 2.27, 2.54 A)
&rst
ixpk= 1426, nxpk= 20, iat= 662, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 666, 667,
&end
#
# 35 ASN HN 35 ASN HB- 3.50 (# 1428:20 Unique 2.37, 3.06 A)
&rst
ixpk= 1428, nxpk= 20, iat= 529, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 533, 534,
&end
#
# 35 ASN HA 35 ASN HB- 2.80 (# 1429:20 Unique 2.34, 2.67 A)
&rst
ixpk= 1429, nxpk= 20, iat= 531, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 533, 534,
&end
#
# 35 ASN HD2- 35 ASN HB- 4.50 (# 1430:20 Unique 2.21, 3.35 A)
&rst
ixpk= 1430, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 538, 539,
igr2= 533, 534,
&end
#
# 44 PHE HN 43 ASP HB+ 3.50 (# 1431:20 Unique 2.48, 3.25 A)
&rst
ixpk= 1431, nxpk= 20, iat= 674, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 666, 667,
&end
#
# 43 ASP HA 43 ASP HB+ 2.80 (# 1433:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1433, nxpk= 20, iat= 664, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 666, 667,
&end
#
# 40 THR HN 43 ASP HB+ 4.50 (# 1434:20 Unique 2.58, 3.59 A)
&rst
ixpk= 1434, nxpk= 20, iat= 615, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 666, 667,
&end
#
# 43 ASP HN 43 ASP HB+ 2.80 (# 1435:20 Unique 2.27, 2.54 A)
&rst
ixpk= 1435, nxpk= 20, iat= 662, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 666, 667,
&end
#
# 44 PHE HE 82 LEU HB- 4.50 (# 1436:20 Unique 2.10, 4.43 A)
&rst
ixpk= 1436, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 684, 688,
igr2=1249,1250,
&end
#
# 21 TRP HZ2 96 LEU HB- 5.50 (# 1437:20 Unique 3.22, 4.09 A)
&rst
ixpk= 1437, nxpk= 20, iat= 303, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1476,1477,
&end
#
# 95 ILE QD1 95 ILE HB 2.80 (# 1438:20 Unique 2.46, 3.21 A)
&rst
ixpk= 1438, nxpk= 20, iat= -1,1457, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1466,1467,1468,
&end
#
# 95 ILE HN 95 ILE HB 4.50 (# 1439:20 Unique 2.68, 2.76 A)
&rst
ixpk= 1439, nxpk= 20, iat=1453,1457, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 21 TRP HH2 95 ILE HB 3.50 (# 1440:20 Unique 2.22, 2.33 A)
&rst
ixpk= 1440, nxpk= 20, iat= 305,1457, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 TRP HZ2 95 ILE HB 4.50 (# 1441:20 Unique 2.50, 2.78 A)
&rst
ixpk= 1441, nxpk= 20, iat= 303,1457, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 ILE HA 95 ILE HB 5.50 (# 1442:20 Unique 3.03, 3.04 A)
&rst
ixpk= 1442, nxpk= 20, iat=1455,1457, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 ILE QG2 95 ILE HB 2.80 (# 1443:20 Unique 2.45, 2.67 A)
&rst
ixpk= 1443, nxpk= 20, iat= -1,1457, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1459,1460,1461,
&end
#
# 67 LEU HG 67 LEU HB- 2.80 (# 1445:20 Unique 2.48, 2.76 A)
&rst
ixpk= 1445, nxpk= 20, iat=1050, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1047,1048,
&end
#
# 67 LEU MDY 67 LEU HB- 2.80 (# 1446:20 Unique 2.28, 3.31 A)
&rst
ixpk= 1446, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1052,1053,1054,1056,1057,1058,
igr2=1047,1048,
&end
#
# 68 SER HN 67 LEU HB- 5.50 (# 1448:20 Unique 2.31, 2.91 A)
&rst
ixpk= 1448, nxpk= 20, iat=1062, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1047,1048,
&end
#
# 67 LEU MDY 67 LEU HB+ 2.80 (# 1449:20 Unique 2.28, 3.31 A)
&rst
ixpk= 1449, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1052,1053,1054,1056,1057,1058,
igr2=1047,1048,
&end
#
# 68 SER HN 67 LEU HB+ 5.50 (# 1450:20 Unique 2.31, 2.91 A)
&rst
ixpk= 1450, nxpk= 20, iat=1062, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1047,1048,
&end
#
# 67 LEU HN 67 LEU HB+ 4.50 (# 1451:20 Unique 2.44, 3.05 A)
&rst
ixpk= 1451, nxpk= 20, iat=1043, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1047,1048,
&end
#
# 0 AMB 20-2:1453 0 AMB 20-1:1453 2.80 (# 1453:20 Double Ambig)
&rst
ixpk= 1453, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1052,1053,1054,1056,1057,1058,1012,1013,1014,1016,
1017,1018,
igr2=1047,1048,1047,1048,
&end
#
# 23 TYR HD 67 LEU HB+ 5.50 (# 1454:20 Unique 3.18, 3.99 A)
&rst
ixpk= 1454, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 341, 350,
igr2=1047,1048,
&end
#
# 67 LEU HA 67 LEU HB+ 3.50 (# 1455:20 Unique 2.48, 2.77 A)
&rst
ixpk= 1455, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1047,1048,
&end
#
# 67 LEU HG 67 LEU HB+ 3.50 (# 1456:20 Unique 2.48, 2.76 A)
&rst
ixpk= 1456, nxpk= 20, iat=1050, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1047,1048,
&end
#
# 96 LEU MDX 28 ASN HB- 5.50 (# 1457:20 Unique 2.22, 4.61 A)
&rst
ixpk= 1457, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1481,1482,1483,1485,1486,1487,
igr2= 413, 414,
&end
#
# 28 ASN HA 28 ASN HB- 2.80 (# 1458:20 Unique 2.65, 2.85 A)
&rst
ixpk= 1458, nxpk= 20, iat= 411, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 413, 414,
&end
#
# 96 LEU MDY 28 ASN HB- 3.50 (# 1459:20 Unique 2.22, 4.61 A)
&rst
ixpk= 1459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1481,1482,1483,1485,1486,1487,
igr2= 413, 414,
&end
#
# 28 ASN HD2+ 28 ASN HB- 3.50 (# 1460:20 Unique 2.37, 3.43 A)
&rst
ixpk= 1460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 418, 419,
igr2= 413, 414,
&end
#
# 0 AMB 20-2:1461 28 ASN HB- 5.50 (# 1461:20 Single Ambig)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 430, 390, 364,
igr2= 413, 414,
&end
#
# 28 ASN HD2+ 28 ASN HB+ 3.50 (# 1462:20 Unique 2.37, 3.43 A)
&rst
ixpk= 1462, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 418, 419,
igr2= 413, 414,
&end
#
# 28 ASN HD2- 28 ASN HB+ 4.50 (# 1463:20 Unique 2.37, 3.43 A)
&rst
ixpk= 1463, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 418, 419,
igr2= 413, 414,
&end
#
# 25 ALA HA 28 ASN HB+ 3.50 (# 1464:20 Unique 2.43, 3.44 A)
&rst
ixpk= 1464, nxpk= 20, iat= 366, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 413, 414,
&end
#
# 96 LEU MDY 28 ASN HB+ 3.50 (# 1465:20 Unique 2.22, 4.61 A)
&rst
ixpk= 1465, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1481,1482,1483,1485,1486,1487,
igr2= 413, 414,
&end
#
# 96 LEU MDX 28 ASN HB+ 5.50 (# 1466:20 Unique 2.22, 4.61 A)
&rst
ixpk= 1466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1481,1482,1483,1485,1486,1487,
igr2= 413, 414,
&end
#
# 28 ASN HN 28 ASN HB+ 2.80 (# 1467:20 Unique 2.25, 2.92 A)
&rst
ixpk= 1467, nxpk= 20, iat= 409, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 413, 414,
&end
#
# 28 ASN HA 28 ASN HB+ 2.80 (# 1468:20 Unique 2.65, 2.85 A)
&rst
ixpk= 1468, nxpk= 20, iat= 411, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 413, 414,
&end
#
# 96 LEU HA 96 LEU HB- 2.80 (# 1469:20 Unique 2.51, 2.84 A)
&rst
ixpk= 1469, nxpk= 20, iat=1474, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1476,1477,
&end
#
# 96 LEU MDY 96 LEU HB- 2.80 (# 1470:20 Unique 2.37, 3.32 A)
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1481,1482,1483,1485,1486,1487,
igr2=1476,1477,
&end
#
# 96 LEU MDX 96 LEU HB- 3.50 (# 1471:20 Unique 2.37, 3.32 A)
&rst
ixpk= 1471, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1481,1482,1483,1485,1486,1487,
igr2=1476,1477,
&end
#
# 21 TRP HE1 96 LEU HB- 5.50 (# 1472:20 Unique 2.12, 2.99 A)
&rst
ixpk= 1472, nxpk= 20, iat= 300, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1476,1477,
&end
#
# 21 TRP HZ2 96 LEU HB+ 5.50 (# 1474:20 Unique 3.22, 4.09 A)
&rst
ixpk= 1474, nxpk= 20, iat= 303, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1476,1477,
&end
#
# 21 TRP HE1 96 LEU HB+ 5.50 (# 1475:20 Unique 2.12, 2.99 A)
&rst
ixpk= 1475, nxpk= 20, iat= 300, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1476,1477,
&end
#
# 0 AMB 20-2:1477 0 AMB 20-1:1477 2.80 (# 1477:20 Double Ambig)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 368, 369, 370,1479,
igr2=1476,1477,1476,1477,
&end
#
# 96 LEU MDX 96 LEU HB+ 3.50 (# 1478:20 Unique 2.37, 3.32 A)
&rst
ixpk= 1478, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1481,1482,1483,1485,1486,1487,
igr2=1476,1477,
&end
#
# 96 LEU HA 96 LEU HB+ 4.50 (# 1479:20 Unique 2.51, 2.84 A)
&rst
ixpk= 1479, nxpk= 20, iat=1474, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1476,1477,
&end
#
# 25 ALA HA 28 ASN HB- 4.50 (# 1482:20 Unique 2.43, 3.44 A)
&rst
ixpk= 1482, nxpk= 20, iat= 366, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 413, 414,
&end
#
# 0 AMB 20-2:1483 0 AMB 20-1:1483 2.80 (# 1483:20 Double Ambig)
&rst
ixpk= 1483, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 974, 929,
igr2= 976, 977, 976, 977,
&end
#
# 96 LEU HG 28 ASN HB+ 5.50 (# 1484:20 Unique 2.92, 4.39 A)
&rst
ixpk= 1484, nxpk= 20, iat=1479, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 413, 414,
&end
#
# 0 AMB 20-2:1486 0 AMB 20-1:1486 2.80 (# 1486:20 Double Ambig)
&rst
ixpk= 1486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 251, 252, 253, 255, 256, 257,1551,1552,1553,1555,
1556,1557,
igr2=1546,1547,1546,1547,
&end
#
# 80 ALA MB 37 PHE HB- 4.50 (# 1487:20 Unique 2.38, 4.08 A)
&rst
ixpk= 1487, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1229,1230,1231,
igr2= 571, 572,
&end
#
# 37 PHE HA 37 PHE HB- 2.80 (# 1488:20 Unique 2.40, 2.75 A)
&rst
ixpk= 1488, nxpk= 20, iat= 569, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 571, 572,
&end
#
# 63 ILE HN 62 ASP HB- 3.50 (# 1490:20 Unique 2.79, 3.48 A)
&rst
ixpk= 1490, nxpk= 20, iat= 984, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 976, 977,
&end
#
# 62 ASP HN 62 ASP HB- 2.80 (# 1491:20 Unique 2.51, 2.53 A)
&rst
ixpk= 1491, nxpk= 20, iat= 972, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 976, 977,
&end
#
# 0 AMB 20-2:1492 62 ASP HB- 2.80 (# 1492:20 Single Ambig)
&rst
ixpk= 1492, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 974, 929,
igr2= 976, 977,
&end
#
# 37 PHE HN 37 PHE HB+ 2.80 (# 1493:20 Unique 2.49, 3.26 A)
&rst
ixpk= 1493, nxpk= 20, iat= 567, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 571, 572,
&end
#
# 37 PHE HA 37 PHE HB+ 2.80 (# 1494:20 Unique 2.40, 2.75 A)
&rst
ixpk= 1494, nxpk= 20, iat= 569, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 571, 572,
&end
#
# 63 ILE HN 62 ASP HB+ 4.50 (# 1496:20 Unique 2.79, 3.48 A)
&rst
ixpk= 1496, nxpk= 20, iat= 984, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 976, 977,
&end
#
# 62 ASP HN 62 ASP HB+ 3.50 (# 1497:20 Unique 2.51, 2.53 A)
&rst
ixpk= 1497, nxpk= 20, iat= 972, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 976, 977,
&end
#
# 59 ASP HA 59 ASP HB- 2.80 (# 1498:20 Unique 2.44, 2.74 A)
&rst
ixpk= 1498, nxpk= 20, iat= 929, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 931, 932,
&end
#
# 59 ASP HN 59 ASP HB- 3.50 (# 1500:20 Unique 2.43, 2.53 A)
&rst
ixpk= 1500, nxpk= 20, iat= 927, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 931, 932,
&end
#
# 60 HIS HN 59 ASP HB+ 3.50 (# 1501:20 Unique 2.55, 3.24 A)
&rst
ixpk= 1501, nxpk= 20, iat= 939, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 931, 932,
&end
#
# 59 ASP HA 59 ASP HB+ 2.80 (# 1502:20 Unique 2.44, 2.74 A)
&rst
ixpk= 1502, nxpk= 20, iat= 929, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 931, 932,
&end
#
# 59 ASP HN 59 ASP HB+ 3.50 (# 1503:20 Unique 2.43, 2.53 A)
&rst
ixpk= 1503, nxpk= 20, iat= 927, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 931, 932,
&end
#
# 101 LEU HA 101 LEU HB- 4.50 (# 1505:20 Unique 2.38, 2.74 A)
&rst
ixpk= 1505, nxpk= 20, iat=1544, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1546,1547,
&end
#
# 0 AMB 20-2:1506 101 LEU HB- 2.80 (# 1506:20 Single Ambig)
&rst
ixpk= 1506, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 251, 252, 253, 255, 256, 257,1551,1552,1553,1555,
1556,1557,1551,1552,1553,1555,1556,1557,
igr2=1546,1547,
&end
#
# 101 LEU HN 101 LEU HB- 4.50 (# 1507:20 Unique 2.47, 3.11 A)
&rst
ixpk= 1507, nxpk= 20, iat=1542, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1546,1547,
&end
#
# 21 TRP HB- 101 LEU HB- 5.50 (# 1509:20 Unique 5.64, 7.31 A)
&rst
ixpk= 1509, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 294, 295,
igr2=1546,1547,
&end
#
# 101 LEU HA 101 LEU HB+ 3.50 (# 1510:20 Unique 2.38, 2.74 A)
&rst
ixpk= 1510, nxpk= 20, iat=1544, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1546,1547,
&end
#
# 101 LEU HN 101 LEU HB+ 4.50 (# 1512:20 Unique 2.47, 3.11 A)
&rst
ixpk= 1512, nxpk= 20, iat=1542, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1546,1547,
&end
#
# 38 THR HN 37 PHE HB- 3.50 (# 1513:20 Unique 2.52, 3.39 A)
&rst
ixpk= 1513, nxpk= 20, iat= 587, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 571, 572,
&end
#
# 37 PHE HN 37 PHE HB- 3.50 (# 1514:20 Unique 2.49, 3.26 A)
&rst
ixpk= 1514, nxpk= 20, iat= 567, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 571, 572,
&end
#
# 37 PHE HD 37 PHE HB- 3.50 (# 1515:20 Unique 2.34, 3.10 A)
&rst
ixpk= 1515, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 575, 583,
igr2= 571, 572,
&end
#
# 119 PHE HA 119 PHE HB- 3.50 (# 1516:20 Unique 2.38, 2.70 A)
&rst
ixpk= 1516, nxpk= 20, iat=1817, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1819,1820,
&end
#
# 105 PHE HN 105 PHE HB- 4.50 (# 1518:20 Unique 2.60, 3.26 A)
&rst
ixpk= 1518, nxpk= 20, iat=1603, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1607,1608,
&end
#
# 119 PHE HN 119 PHE HB+ 4.50 (# 1519:20 Unique 2.34, 3.27 A)
&rst
ixpk= 1519, nxpk= 20, iat=1815, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1819,1820,
&end
#
# 119 PHE HA 119 PHE HB+ 2.80 (# 1520:20 Unique 2.38, 2.70 A)
&rst
ixpk= 1520, nxpk= 20, iat=1817, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1819,1820,
&end
#
# 110 VAL HA 105 PHE HB+ 5.50 (# 1521:20 Unique 4.41, 5.46 A)
&rst
ixpk= 1521, nxpk= 20, iat=1685, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1607,1608,
&end
#
# 37 PHE HD 37 PHE HB+ 3.50 (# 1524:20 Unique 2.34, 3.10 A)
&rst
ixpk= 1524, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 575, 583,
igr2= 571, 572,
&end
#
# 80 ALA MB 37 PHE HB+ 3.50 (# 1525:20 Unique 2.38, 4.08 A)
&rst
ixpk= 1525, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1229,1230,1231,
igr2= 571, 572,
&end
#
# 60 HIS HN 59 ASP HB- 4.50 (# 1526:20 Unique 2.55, 3.24 A)
&rst
ixpk= 1526, nxpk= 20, iat= 939, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 931, 932,
&end
#
# 63 ILE QD1 59 ASP HB- 5.50 (# 1527:20 Unique 4.86, 6.00 A)
&rst
ixpk= 1527, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 997, 998, 999,
igr2= 931, 932,
&end
#
# 76 LEU HN 76 LEU HB- 2.80 (# 1528:20 Unique 2.34, 3.04 A)
&rst
ixpk= 1528, nxpk= 20, iat=1166, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1170,1171,
&end
#
# 76 LEU MDX 76 LEU HB- 2.80 (# 1529:20 Unique 2.41, 3.42 A)
&rst
ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1175,1176,1177,1179,1180,1181,
igr2=1170,1171,
&end
#
# 76 LEU HA 76 LEU HB- 3.50 (# 1530:20 Unique 2.42, 2.75 A)
&rst
ixpk= 1530, nxpk= 20, iat=1168, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1170,1171,
&end
#
# 76 LEU MDY 76 LEU HB- 2.80 (# 1531:20 Unique 2.41, 3.42 A)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1175,1176,1177,1179,1180,1181,
igr2=1170,1171,
&end
#
# 77 ASP HN 76 LEU HB- 5.50 (# 1532:20 Unique 2.82, 3.47 A)
&rst
ixpk= 1532, nxpk= 20, iat=1185, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1170,1171,
&end
#
# 39 THR HN 76 LEU HB- 5.50 (# 1533:20 Unique 2.98, 4.07 A)
&rst
ixpk= 1533, nxpk= 20, iat= 601, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1170,1171,
&end
#
# 119 PHE HN 119 PHE HB- 5.50 (# 1534:20 Unique 2.34, 3.27 A)
&rst
ixpk= 1534, nxpk= 20, iat=1815, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1819,1820,
&end
#
# 120 GLN HN 119 PHE HB- 5.50 (# 1535:20 Unique 1.98, 3.60 A)
&rst
ixpk= 1535, nxpk= 20, iat=1835, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1819,1820,
&end
#
# 110 VAL MGX 105 PHE HB- 4.50 (# 1536:20 Unique 2.48, 4.89 A)
&rst
ixpk= 1536, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1689,1690,1691,1693,1694,1695,
igr2=1607,1608,
&end
#
# 105 PHE HA 105 PHE HB- 4.50 (# 1537:20 Unique 2.36, 2.72 A)
&rst
ixpk= 1537, nxpk= 20, iat=1605, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1607,1608,
&end
#
# 120 GLN HN 119 PHE HB+ 5.50 (# 1538:20 Unique 1.98, 3.60 A)
&rst
ixpk= 1538, nxpk= 20, iat=1835, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1819,1820,
&end
#
# 105 PHE HN 105 PHE HB+ 4.50 (# 1539:20 Unique 2.60, 3.26 A)
&rst
ixpk= 1539, nxpk= 20, iat=1603, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1607,1608,
&end
#
# 105 PHE HA 105 PHE HB+ 3.50 (# 1541:20 Unique 2.36, 2.72 A)
&rst
ixpk= 1541, nxpk= 20, iat=1605, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1607,1608,
&end
#
# 74 ALA MB 77 ASP HB- 3.50 (# 1543:20 Unique 2.82, 4.25 A)
&rst
ixpk= 1543, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1144,1145,1146,
igr2=1189,1190,
&end
#
# 44 PHE HN 44 PHE HB- 3.50 (# 1544:20 Unique 2.33, 2.48 A)
&rst
ixpk= 1544, nxpk= 20, iat= 674, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 678, 679,
&end
#
# 73 ILE QG2 77 ASP HB- 3.50 (# 1545:20 Unique 2.15, 3.88 A)
&rst
ixpk= 1545, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1127,1128,1129,
igr2=1189,1190,
&end
#
# 77 ASP HN 77 ASP HB- 3.50 (# 1546:20 Unique 2.38, 2.57 A)
&rst
ixpk= 1546, nxpk= 20, iat=1185, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1189,1190,
&end
#
# 0 AMB 20-2:1547 77 ASP HB- 3.50 (# 1547:20 Single Ambig)
&rst
ixpk= 1547, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1187, 589,
igr2=1189,1190,
&end
#
# 78 MET HN 77 ASP HB+ 5.50 (# 1548:20 Unique 2.64, 3.36 A)
&rst
ixpk= 1548, nxpk= 20, iat=1197, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1189,1190,
&end
#
# 73 ILE QG2 77 ASP HB+ 3.50 (# 1549:20 Unique 2.15, 3.88 A)
&rst
ixpk= 1549, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1127,1128,1129,
igr2=1189,1190,
&end
#
# 77 ASP HN 77 ASP HB+ 3.50 (# 1550:20 Unique 2.38, 2.57 A)
&rst
ixpk= 1550, nxpk= 20, iat=1185, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1189,1190,
&end
#
# 0 AMB 20-2:1551 0 AMB 20-1:1551 2.80 (# 1551:20 Double Ambig)
&rst
ixpk= 1551, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1187, 589,
igr2=1189,1190,1189,1190,
&end
#
# 74 ALA MB 77 ASP HB+ 4.50 (# 1553:20 Unique 2.82, 4.25 A)
&rst
ixpk= 1553, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1144,1145,1146,
igr2=1189,1190,
&end
#
# 67 LEU HB+ 23 TYR HB+ 5.50 (# 1554:20 Unique 2.31, 3.41 A)
&rst
ixpk= 1554, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1047,1048,
igr2= 337, 338,
&end
#
# 86 LEU MDX 51 TYR HB- 5.50 (# 1555:20 Unique 2.59, 4.40 A)
&rst
ixpk= 1555, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1329,1330,1331,1333,1334,1335,
igr2= 796, 797,
&end
#
# 51 TYR HN 51 TYR HB- 3.50 (# 1556:20 Unique 2.56, 3.16 A)
&rst
ixpk= 1556, nxpk= 20, iat= 792, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 796, 797,
&end
#
# 51 TYR HD 51 TYR HB- 2.80 (# 1557:20 Unique 2.38, 3.07 A)
&rst
ixpk= 1557, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 800, 809,
igr2= 796, 797,
&end
#
# 51 TYR HA 51 TYR HB- 2.80 (# 1558:20 Unique 2.39, 2.72 A)
&rst
ixpk= 1558, nxpk= 20, iat= 794, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 796, 797,
&end
#
# 86 LEU MDY 51 TYR HB- 4.50 (# 1560:20 Unique 2.59, 4.40 A)
&rst
ixpk= 1560, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1329,1330,1331,1333,1334,1335,
igr2= 796, 797,
&end
#
# 86 LEU MDX 51 TYR HB- 5.50 (# 1561:20 Unique 2.59, 4.40 A)
&rst
ixpk= 1561, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1329,1330,1331,1333,1334,1335,
igr2= 796, 797,
&end
#
# 23 TYR HD 23 TYR HB- 3.50 (# 1562:20 Unique 2.36, 3.07 A)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 341, 350,
igr2= 337, 338,
&end
#
# 23 TYR HA 23 TYR HB- 3.50 (# 1563:20 Unique 2.55, 2.80 A)
&rst
ixpk= 1563, nxpk= 20, iat= 335, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 337, 338,
&end
#
# 0 AMB 20-2:1565 23 TYR HB- 5.50 (# 1565:20 Single Ambig)
&rst
ixpk= 1565, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1106,1107,1108, 358, 359, 360, 318, 319,
igr2= 337, 338,
&end
#
# 67 LEU MDX 23 TYR HB- 3.50 (# 1566:20 Unique 2.29, 3.98 A)
&rst
ixpk= 1566, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1052,1053,1054,1056,1057,1058,
igr2= 337, 338,
&end
#
# 0 AMB 20-2:1567 23 TYR HB- 4.50 (# 1567:20 Single Ambig)
&rst
ixpk= 1567, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1052,1053,1054,1056,1057,1058, 403, 404, 405,
igr2= 337, 338,
&end
#
# 23 TYR HN 23 TYR HB- 3.50 (# 1568:20 Unique 2.34, 3.00 A)
&rst
ixpk= 1568, nxpk= 20, iat= 333, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 337, 338,
&end
#
# 67 LEU MDX 23 TYR HB- 4.50 (# 1569:20 Unique 2.29, 3.98 A)
&rst
ixpk= 1569, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1052,1053,1054,1056,1057,1058,
igr2= 337, 338,
&end
#
# 45 ASN HN 44 PHE HB- 5.50 (# 1570:20 Unique 2.41, 3.20 A)
&rst
ixpk= 1570, nxpk= 20, iat= 694, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 678, 679,
&end
#
# 44 PHE HD 44 PHE HB- 2.80 (# 1571:20 Unique 2.37, 3.08 A)
&rst
ixpk= 1571, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 682, 690,
igr2= 678, 679,
&end
#
# 41 LEU HA 44 PHE HB- 4.50 (# 1572:20 Unique 2.32, 3.15 A)
&rst
ixpk= 1572, nxpk= 20, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 678, 679,
&end
#
# 44 PHE HA 44 PHE HB- 3.50 (# 1573:20 Unique 2.39, 2.73 A)
&rst
ixpk= 1573, nxpk= 20, iat= 676, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 678, 679,
&end
#
# 39 THR MG2 44 PHE HB- 4.50 (# 1574:20 Unique 2.19, 3.62 A)
&rst
ixpk= 1574, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 607, 608, 609,
igr2= 678, 679,
&end
#
# 45 ASN HN 44 PHE HB+ 4.50 (# 1575:20 Unique 2.41, 3.20 A)
&rst
ixpk= 1575, nxpk= 20, iat= 694, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 678, 679,
&end
#
# 44 PHE HN 44 PHE HB+ 3.50 (# 1576:20 Unique 2.33, 2.48 A)
&rst
ixpk= 1576, nxpk= 20, iat= 674, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 678, 679,
&end
#
# 44 PHE HD 44 PHE HB+ 2.80 (# 1577:20 Unique 2.37, 3.08 A)
&rst
ixpk= 1577, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 682, 690,
igr2= 678, 679,
&end
#
# 41 LEU HA 44 PHE HB+ 5.50 (# 1578:20 Unique 2.32, 3.15 A)
&rst
ixpk= 1578, nxpk= 20, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 678, 679,
&end
#
# 44 PHE HA 44 PHE HB+ 3.50 (# 1579:20 Unique 2.39, 2.73 A)
&rst
ixpk= 1579, nxpk= 20, iat= 676, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 678, 679,
&end
#
# 39 THR MG2 44 PHE HB+ 3.50 (# 1580:20 Unique 2.19, 3.62 A)
&rst
ixpk= 1580, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 607, 608, 609,
igr2= 678, 679,
&end
#
# 23 TYR HD 23 TYR HB+ 3.50 (# 1582:20 Unique 2.36, 3.07 A)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 341, 350,
igr2= 337, 338,
&end
#
# 24 ALA HN 23 TYR HB+ 4.50 (# 1583:20 Unique 2.73, 3.17 A)
&rst
ixpk= 1583, nxpk= 20, iat= 354, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 337, 338,
&end
#
# 23 TYR HA 23 TYR HB+ 3.50 (# 1584:20 Unique 2.55, 2.80 A)
&rst
ixpk= 1584, nxpk= 20, iat= 335, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 337, 338,
&end
#
# 0 AMB 20-2:1586 0 AMB 20-1:1586 4.50 (# 1586:20 Double Ambig)
&rst
ixpk= 1586, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.49, r4=10.24,
igr1=1106,1107,1108, 284, 285, 286, 358, 359, 360, 318,
319,
igr2= 337, 338, 337, 338, 337, 338, 337, 338,
&end
#
# 67 LEU MDX 23 TYR HB+ 3.50 (# 1587:20 Unique 2.29, 3.98 A)
&rst
ixpk= 1587, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1052,1053,1054,1056,1057,1058,
igr2= 337, 338,
&end
#
# 23 TYR HN 23 TYR HB+ 3.50 (# 1588:20 Unique 2.34, 3.00 A)
&rst
ixpk= 1588, nxpk= 20, iat= 333, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 337, 338,
&end
#
# 0 AMB 20-2:1589 0 AMB 20-1:1589 3.50 (# 1589:20 Double Ambig)
&rst
ixpk= 1589, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1052,1053,1054,1056,1057,1058, 403, 404, 405,
igr2= 337, 338, 337, 338,
&end
#
# 86 LEU MDY 51 TYR HB+ 5.50 (# 1590:20 Unique 2.59, 4.40 A)
&rst
ixpk= 1590, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1329,1330,1331,1333,1334,1335,
igr2= 796, 797,
&end
#
# 51 TYR HN 51 TYR HB+ 3.50 (# 1591:20 Unique 2.56, 3.16 A)
&rst
ixpk= 1591, nxpk= 20, iat= 792, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 796, 797,
&end
#
# 51 TYR HD 51 TYR HB+ 2.80 (# 1592:20 Unique 2.38, 3.07 A)
&rst
ixpk= 1592, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 800, 809,
igr2= 796, 797,
&end
#
# 51 TYR HA 51 TYR HB+ 3.50 (# 1593:20 Unique 2.39, 2.72 A)
&rst
ixpk= 1593, nxpk= 20, iat= 794, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 796, 797,
&end
#
# 86 LEU MDX 51 TYR HB+ 5.50 (# 1595:20 Unique 2.59, 4.40 A)
&rst
ixpk= 1595, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1329,1330,1331,1333,1334,1335,
igr2= 796, 797,
&end
#
# 53 TYR HE 51 TYR HB- 5.50 (# 1597:20 Unique 2.23, 4.51 A)
&rst
ixpk= 1597, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 837, 842,
igr2= 796, 797,
&end
#
# 23 TYR HA 23 TYR HB- 5.50 (# 1598:20 Unique 2.55, 2.80 A)
&rst
ixpk= 1598, nxpk= 20, iat= 335, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 337, 338,
&end
#
# 109 ASP HN 108 PHE HB- 3.50 (# 1599:20 Unique 2.89, 3.46 A)
&rst
ixpk= 1599, nxpk= 20, iat=1671, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1655,1656,
&end
#
# 53 TYR HE 51 TYR HB+ 5.50 (# 1600:20 Unique 2.23, 4.51 A)
&rst
ixpk= 1600, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 837, 842,
igr2= 796, 797,
&end
#
# 73 ILE HA 73 ILE HB 5.50 (# 1601:20 Unique 2.98, 2.99 A)
&rst
ixpk= 1601, nxpk= 20, iat=1123,1125, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 108 PHE HN 108 PHE HB- 2.80 (# 1603:20 Unique 2.25, 2.84 A)
&rst
ixpk= 1603, nxpk= 20, iat=1651, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1655,1656,
&end
#
# 108 PHE HA 108 PHE HB- 2.80 (# 1604:20 Unique 2.46, 2.76 A)
&rst
ixpk= 1604, nxpk= 20, iat=1653, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1655,1656,
&end
#
# 109 ASP HN 108 PHE HB+ 4.50 (# 1606:20 Unique 2.89, 3.46 A)
&rst
ixpk= 1606, nxpk= 20, iat=1671, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1655,1656,
&end
#
# 108 PHE HN 108 PHE HB+ 2.80 (# 1607:20 Unique 2.25, 2.84 A)
&rst
ixpk= 1607, nxpk= 20, iat=1651, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1655,1656,
&end
#
# 108 PHE HA 108 PHE HB+ 2.80 (# 1608:20 Unique 2.46, 2.76 A)
&rst
ixpk= 1608, nxpk= 20, iat=1653, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1655,1656,
&end
#
# 41 LEU HB- 42 ASN HB- 5.50 (# 1610:20 Unique 4.08, 4.98 A)
&rst
ixpk= 1610, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 633, 634,
igr2= 652, 653,
&end
#
# 42 ASN HN 42 ASN HB- 2.80 (# 1611:20 Unique 2.47, 2.63 A)
&rst
ixpk= 1611, nxpk= 20, iat= 648, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 652, 653,
&end
#
# 42 ASN HD2+ 42 ASN HB- 5.50 (# 1612:20 Unique 2.57, 3.52 A)
&rst
ixpk= 1612, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 657, 658,
igr2= 652, 653,
&end
#
# 42 ASN HA 42 ASN HB- 2.80 (# 1613:20 Unique 2.48, 2.76 A)
&rst
ixpk= 1613, nxpk= 20, iat= 650, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 652, 653,
&end
#
# 43 ASP HN 42 ASN HB- 2.80 (# 1614:20 Unique 2.79, 3.42 A)
&rst
ixpk= 1614, nxpk= 20, iat= 662, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 652, 653,
&end
#
# 40 THR HB 42 ASN HB- 5.50 (# 1616:20 Unique 3.44, 4.23 A)
&rst
ixpk= 1616, nxpk= 20, iat= 619, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 652, 653,
&end
#
# 71 THR HB 73 ILE HB 5.50 (# 1617:20 Unique 2.90, 3.26 A)
&rst
ixpk= 1617, nxpk= 20, iat=1104,1125, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 73 ILE HN 73 ILE HB 3.50 (# 1618:20 Unique 2.20, 2.44 A)
&rst
ixpk= 1618, nxpk= 20, iat=1121,1125, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 ILE HG1- 73 ILE HB 4.50 (# 1619:20 Unique 2.34, 2.81 A)
&rst
ixpk= 1619, nxpk= 20, iat= -1,1125, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1131,1132,
&end
#
# 23 TYR HE 73 ILE HB 4.50 (# 1622:20 Unique 2.08, 4.21 A)
&rst
ixpk= 1622, nxpk= 20, iat= -1,1125, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 343, 348,
&end
#
# 73 ILE HG1+ 73 ILE HB 3.50 (# 1623:20 Unique 2.34, 2.81 A)
&rst
ixpk= 1623, nxpk= 20, iat= -1,1125, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1131,1132,
&end
#
# 0 AMB 20-2:1624 73 ILE HB 5.50 (# 1624:20 Single Ambig)
&rst
ixpk= 1624, nxpk= 20, iat= -1,1125, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 346, 341, 350,
&end
#
# 73 ILE QG2 73 ILE HB 2.80 (# 1625:20 Unique 2.36, 2.66 A)
&rst
ixpk= 1625, nxpk= 20, iat= -1,1125, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1127,1128,1129,
&end
#
# 0 AMB 20-2:1626 53 TYR HB- 5.50 (# 1626:20 Single Ambig)
&rst
ixpk= 1626, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 745, 796, 797,
igr2= 831, 832,
&end
#
# 91 ASN HD2+ 91 ASN HB- 3.50 (# 1628:20 Unique 2.24, 3.28 A)
&rst
ixpk= 1628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1403,1404,
igr2=1398,1399,
&end
#
# 0 AMB 20-2:1629 27 ILE HB 4.50 (# 1629:20 Single Ambig)
&rst
ixpk= 1629, nxpk= 20, iat= -1, 394, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 358, 359, 360,1106,1107,1108,
&end
#
# 27 ILE HA 27 ILE HB 3.50 (# 1630:20 Unique 2.96, 2.97 A)
&rst
ixpk= 1630, nxpk= 20, iat= 392, 394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 ILE HN 27 ILE HB 2.80 (# 1631:20 Unique 2.05, 2.08 A)
&rst
ixpk= 1631, nxpk= 20, iat= 390, 394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 24 ALA HA 27 ILE HB 3.50 (# 1632:20 Unique 2.29, 2.39 A)
&rst
ixpk= 1632, nxpk= 20, iat= 356, 394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 ILE HG1+ 27 ILE HB 3.50 (# 1633:20 Unique 2.48, 2.80 A)
&rst
ixpk= 1633, nxpk= 20, iat= -1, 394, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 400, 401,
&end
#
# 0 AMB 20-2:1634 27 ILE HB 2.80 (# 1634:20 Single Ambig)
&rst
ixpk= 1634, nxpk= 20, iat= -1, 394, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 396, 397, 398, 400, 401,
&end
#
# 28 ASN HN 27 ILE HB 4.50 (# 1635:20 Unique 2.62, 2.71 A)
&rst
ixpk= 1635, nxpk= 20, iat= 409, 394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 ILE QD1 27 ILE HB 2.80 (# 1636:20 Unique 2.48, 3.09 A)
&rst
ixpk= 1636, nxpk= 20, iat= -1, 394, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 403, 404, 405,
&end
#
# 0 AMB 20-2:1638 53 TYR HB- 4.50 (# 1638:20 Single Ambig)
&rst
ixpk= 1638, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 753, 813,
igr2= 831, 832,
&end
#
# 53 TYR HN 53 TYR HB- 4.50 (# 1640:20 Unique 2.29, 3.07 A)
&rst
ixpk= 1640, nxpk= 20, iat= 827, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 831, 832,
&end
#
# 91 ASN HA 91 ASN HB- 2.80 (# 1642:20 Unique 2.41, 2.76 A)
&rst
ixpk= 1642, nxpk= 20, iat=1396, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1398,1399,
&end
#
# 48 ALA MB 53 TYR HB+ 3.50 (# 1644:20 Unique 2.30, 3.45 A)
&rst
ixpk= 1644, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 747, 748, 749,
igr2= 831, 832,
&end
#
# 53 TYR HN 53 TYR HB+ 3.50 (# 1645:20 Unique 2.29, 3.07 A)
&rst
ixpk= 1645, nxpk= 20, iat= 827, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 831, 832,
&end
#
# 0 AMB 20-2:1647 0 AMB 20-1:1647 5.50 (# 1647:20 Double Ambig)
&rst
ixpk= 1647, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 753, 813,
igr2= 831, 832, 831, 832,
&end
#
# 0 AMB 20-2:1648 0 AMB 20-1:1648 4.50 (# 1648:20 Double Ambig)
&rst
ixpk= 1648, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 745, 796, 797,
igr2= 831, 832, 831, 832,
&end
#
# 91 ASN HD2+ 91 ASN HB+ 4.50 (# 1649:20 Unique 2.24, 3.28 A)
&rst
ixpk= 1649, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1403,1404,
igr2=1398,1399,
&end
#
# 91 ASN HA 91 ASN HB+ 3.50 (# 1650:20 Unique 2.41, 2.76 A)
&rst
ixpk= 1650, nxpk= 20, iat=1396, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1398,1399,
&end
#
# 91 ASN HN 91 ASN HB+ 5.50 (# 1651:20 Unique 2.40, 2.91 A)
&rst
ixpk= 1651, nxpk= 20, iat=1394, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1398,1399,
&end
#
# 63 ILE HG1- 63 ILE HB 4.50 (# 1653:20 Unique 2.64, 2.85 A)
&rst
ixpk= 1653, nxpk= 20, iat= -1, 988, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 994, 995,
&end
#
# 63 ILE HN 63 ILE HB 2.80 (# 1654:20 Unique 2.49, 2.54 A)
&rst
ixpk= 1654, nxpk= 20, iat= 984, 988, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 63 ILE HA 63 ILE HB 3.50 (# 1655:20 Unique 3.03, 3.03 A)
&rst
ixpk= 1655, nxpk= 20, iat= 986, 988, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1656 63 ILE HB 2.80 (# 1656:20 Single Ambig)
&rst
ixpk= 1656, nxpk= 20, iat= -1, 988, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 221, 222, 223, 225, 226, 227, 990, 991, 992,
&end
#
# 64 LEU HN 63 ILE HB 5.50 (# 1657:20 Unique 2.87, 2.97 A)
&rst
ixpk= 1657, nxpk= 20, iat=1003, 988, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 HIS HA 63 ILE HB 3.50 (# 1658:20 Unique 2.90, 3.07 A)
&rst
ixpk= 1658, nxpk= 20, iat= 941, 988, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1659 63 ILE HB 2.80 (# 1659:20 Single Ambig)
&rst
ixpk= 1659, nxpk= 20, iat= -1, 988, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 994, 995,1641,1642,
&end
#
# 48 ALA MB 53 TYR HB- 3.50 (# 1660:20 Unique 2.30, 3.45 A)
&rst
ixpk= 1660, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 747, 748, 749,
igr2= 831, 832,
&end
#
# 53 TYR HD 53 TYR HB+ 3.50 (# 1661:20 Unique 2.29, 3.07 A)
&rst
ixpk= 1661, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 835, 844,
igr2= 831, 832,
&end
#
# 45 ASN HD2+ 45 ASN HB- 4.50 (# 1663:20 Unique 2.49, 3.17 A)
&rst
ixpk= 1663, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 703, 704,
igr2= 698, 699,
&end
#
# 0 AMB 20-2:1664 0 AMB 20-1:1664 4.50 (# 1664:20 Double Ambig)
&rst
ixpk= 1664, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 764, 765, 766, 870, 871,
igr2= 698, 699, 698, 699,
&end
#
# 0 AMB 20-2:1665 0 AMB 20-1:1665 5.50 (# 1665:20 Double Ambig)
&rst
ixpk= 1665, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 870, 871, 715,
igr2= 698, 699, 698, 699,
&end
#
# 45 ASN HN 45 ASN HB+ 3.50 (# 1666:20 Unique 2.43, 3.04 A)
&rst
ixpk= 1666, nxpk= 20, iat= 694, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 698, 699,
&end
#
# 45 ASN HN 45 ASN HB- 3.50 (# 1667:20 Unique 2.43, 3.04 A)
&rst
ixpk= 1667, nxpk= 20, iat= 694, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 698, 699,
&end
#
# 45 ASN HD2- 45 ASN HB- 3.50 (# 1669:20 Unique 2.49, 3.17 A)
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 703, 704,
igr2= 698, 699,
&end
#
# 42 ASN HA 45 ASN HB- 3.50 (# 1670:20 Unique 2.28, 3.21 A)
&rst
ixpk= 1670, nxpk= 20, iat= 650, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 698, 699,
&end
#
# 103 ASP HA 17 ASN HB+ 4.50 (# 1671:20 Unique 2.57, 2.90 A)
&rst
ixpk= 1671, nxpk= 20, iat=1578, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 235, 236,
&end
#
# 45 ASN HD2+ 45 ASN HB+ 5.50 (# 1672:20 Unique 2.49, 3.17 A)
&rst
ixpk= 1672, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 703, 704,
igr2= 698, 699,
&end
#
# 55 PRO HA 45 ASN HB+ 5.50 (# 1673:20 Unique 2.92, 3.74 A)
&rst
ixpk= 1673, nxpk= 20, iat= 873, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 698, 699,
&end
#
# 45 ASN HD2- 45 ASN HB+ 4.50 (# 1674:20 Unique 2.49, 3.17 A)
&rst
ixpk= 1674, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 703, 704,
igr2= 698, 699,
&end
#
# 45 ASN HA 45 ASN HB+ 3.50 (# 1676:20 Unique 2.54, 2.80 A)
&rst
ixpk= 1676, nxpk= 20, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 698, 699,
&end
#
# 17 ASN HN 17 ASN HB+ 4.50 (# 1677:20 Unique 2.38, 2.95 A)
&rst
ixpk= 1677, nxpk= 20, iat= 231, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 235, 236,
&end
#
# 17 ASN HA 17 ASN HB+ 4.50 (# 1678:20 Unique 2.50, 2.78 A)
&rst
ixpk= 1678, nxpk= 20, iat= 233, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 235, 236,
&end
#
# 17 ASN HD2+ 17 ASN HB+ 4.50 (# 1679:20 Unique 2.17, 3.12 A)
&rst
ixpk= 1679, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 240, 241,
igr2= 235, 236,
&end
#
# 17 ASN HD2- 17 ASN HB+ 5.50 (# 1680:20 Unique 2.17, 3.12 A)
&rst
ixpk= 1680, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 240, 241,
igr2= 235, 236,
&end
#
# 0 AMB 20-2:1681 0 AMB 20-1:1681 4.50 (# 1681:20 Double Ambig)
&rst
ixpk= 1681, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 185, 186, 187, 251, 252, 253, 255, 256, 257,
igr2= 235, 236, 235, 236,
&end
#
# 17 ASN HD2+ 17 ASN HB- 4.50 (# 1682:20 Unique 2.17, 3.12 A)
&rst
ixpk= 1682, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 240, 241,
igr2= 235, 236,
&end
#
# 17 ASN HN 17 ASN HB- 5.50 (# 1683:20 Unique 2.38, 2.95 A)
&rst
ixpk= 1683, nxpk= 20, iat= 231, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 235, 236,
&end
#
# 17 ASN HD2- 17 ASN HB- 5.50 (# 1684:20 Unique 2.17, 3.12 A)
&rst
ixpk= 1684, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 240, 241,
igr2= 235, 236,
&end
#
# 14 ILE HB 17 ASN HB+ 5.50 (# 1685:20 Unique 2.40, 3.16 A)
&rst
ixpk= 1685, nxpk= 20, iat= 183, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 235, 236,
&end
#
# 18 VAL HN 17 ASN HB- 5.50 (# 1686:20 Unique 2.49, 3.30 A)
&rst
ixpk= 1686, nxpk= 20, iat= 245, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 235, 236,
&end
#
# 17 ASN HA 17 ASN HB- 5.50 (# 1687:20 Unique 2.50, 2.78 A)
&rst
ixpk= 1687, nxpk= 20, iat= 233, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 235, 236,
&end
#
# 33 PHE HA 33 PHE HB- 2.80 (# 1689:20 Unique 2.34, 2.45 A)
&rst
ixpk= 1689, nxpk= 20, iat= 492, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 494, 495,
&end
#
# 85 LEU MDY 33 PHE HB- 3.50 (# 1690:20 Unique 2.18, 4.17 A)
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1310,1311,1312,1314,1315,1316,
igr2= 494, 495,
&end
#
# 85 LEU HG 33 PHE HB- 4.50 (# 1691:20 Unique 3.79, 4.58 A)
&rst
ixpk= 1691, nxpk= 20, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 494, 495,
&end
#
# 33 PHE HD 33 PHE HB- 3.50 (# 1692:20 Unique 2.34, 3.09 A)
&rst
ixpk= 1692, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 498, 506,
igr2= 494, 495,
&end
#
# 85 LEU MDX 33 PHE HB- 5.50 (# 1693:20 Unique 2.18, 4.17 A)
&rst
ixpk= 1693, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1310,1311,1312,1314,1315,1316,
igr2= 494, 495,
&end
#
# 85 LEU HG 33 PHE HB+ 5.50 (# 1696:20 Unique 3.79, 4.58 A)
&rst
ixpk= 1696, nxpk= 20, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 494, 495,
&end
#
# 33 PHE HD 33 PHE HB+ 3.50 (# 1697:20 Unique 2.34, 3.09 A)
&rst
ixpk= 1697, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 498, 506,
igr2= 494, 495,
&end
#
# 33 PHE HA 33 PHE HB+ 2.80 (# 1699:20 Unique 2.34, 2.45 A)
&rst
ixpk= 1699, nxpk= 20, iat= 492, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 494, 495,
&end
#
# 85 LEU MDY 33 PHE HB+ 4.50 (# 1700:20 Unique 2.18, 4.17 A)
&rst
ixpk= 1700, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1310,1311,1312,1314,1315,1316,
igr2= 494, 495,
&end
#
# 95 ILE QD1 33 PHE HB+ 5.50 (# 1701:20 Unique 2.74, 4.24 A)
&rst
ixpk= 1701, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1466,1467,1468,
igr2= 494, 495,
&end
#
# 12 THR MG2 52 ASN HB- 5.50 (# 1703:20 Unique 4.66, 5.87 A)
&rst
ixpk= 1703, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 157, 158, 159,
igr2= 817, 818,
&end
#
# 52 ASN HN 52 ASN HB+ 4.50 (# 1704:20 Unique 3.05, 3.42 A)
&rst
ixpk= 1704, nxpk= 20, iat= 813, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 817, 818,
&end
#
# 52 ASN HA 52 ASN HB+ 2.80 (# 1705:20 Unique 2.41, 2.75 A)
&rst
ixpk= 1705, nxpk= 20, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 817, 818,
&end
#
# 81 ALA MB 33 PHE HB- 5.50 (# 1707:20 Unique 2.97, 5.73 A)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1239,1240,1241,
igr2= 494, 495,
&end
#
# 0 AMB 20-2:1708 52 ASN HB- 5.50 (# 1708:20 Single Ambig)
&rst
ixpk= 1708, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 165, 827,
igr2= 817, 818,
&end
#
# 52 ASN HD2+ 52 ASN HB- 5.50 (# 1709:20 Unique 2.21, 3.25 A)
&rst
ixpk= 1709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 822, 823,
igr2= 817, 818,
&end
#
# 52 ASN HD2- 52 ASN HB- 3.50 (# 1710:20 Unique 2.21, 3.25 A)
&rst
ixpk= 1710, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 822, 823,
igr2= 817, 818,
&end
#
# 52 ASN HA 52 ASN HB- 2.80 (# 1711:20 Unique 2.41, 2.75 A)
&rst
ixpk= 1711, nxpk= 20, iat= 815, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 817, 818,
&end
#
# 52 ASN HD2- 52 ASN HB+ 3.50 (# 1712:20 Unique 2.21, 3.25 A)
&rst
ixpk= 1712, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 822, 823,
igr2= 817, 818,
&end
#
# 0 AMB 20-2:1713 0 AMB 20-1:1713 5.50 (# 1713:20 Double Ambig)
&rst
ixpk= 1713, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 165, 827,
igr2= 817, 818, 817, 818,
&end
#
# 14 ILE QG2 54 GLU HG- 5.50 (# 1715:20 Unique 4.79, 6.61 A)
&rst
ixpk= 1715, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 185, 186, 187,
igr2= 855, 856,
&end
#
# 0 AMB 20-2:1716 54 GLU HG- 4.50 (# 1716:20 Single Ambig)
&rst
ixpk= 1716, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 151, 949,
igr2= 855, 856,
&end
#
# 54 GLU HA 54 GLU HG- 2.80 (# 1717:20 Unique 2.44, 2.86 A)
&rst
ixpk= 1717, nxpk= 20, iat= 850, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 855, 856,
&end
#
# 0 AMB 20-2:1718 54 GLU HG- 2.80 (# 1718:20 Single Ambig)
&rst
ixpk= 1718, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 155, 181,
igr2= 855, 856,
&end
#
# 55 PRO HD+ 54 GLU HG- 3.50 (# 1719:20 Unique 3.49, 4.67 A)
&rst
ixpk= 1719, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 864, 865,
igr2= 855, 856,
&end
#
# 0 AMB 20-2:1720 54 GLU HG- 2.80 (# 1720:20 Single Ambig)
&rst
ixpk= 1720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 852, 853, 852, 853,
igr2= 855, 856,
&end
#
# 12 THR MG2 54 GLU HG- 3.50 (# 1721:20 Unique 2.33, 3.77 A)
&rst
ixpk= 1721, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 157, 158, 159,
igr2= 855, 856,
&end
#
# 53 TYR HA 54 GLU HG- 5.50 (# 1722:20 Unique 4.04, 4.66 A)
&rst
ixpk= 1722, nxpk= 20, iat= 829, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 855, 856,
&end
#
# 0 AMB 20-2:1723 0 AMB 20-1:1723 5.50 (# 1723:20 Double Ambig)
&rst
ixpk= 1723, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 185, 186, 187,1310,1311,1312,1314,1315,1316,
igr2= 855, 856,1293,1294,
&end
#
# 84 GLU HA 84 GLU HG+ 3.50 (# 1724:20 Unique 2.35, 3.26 A)
&rst
ixpk= 1724, nxpk= 20, iat=1288, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1293,1294,
&end
#
# 35 ASN HD2+ 84 GLU HG+ 3.50 (# 1725:20 Unique 2.35, 3.57 A)
&rst
ixpk= 1725, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 538, 539,
igr2=1293,1294,
&end
#
# 84 GLU HN 84 GLU HG+ 3.50 (# 1726:20 Unique 2.29, 3.15 A)
&rst
ixpk= 1726, nxpk= 20, iat=1286, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1293,1294,
&end
#
# 35 ASN HD2- 84 GLU HG+ 5.50 (# 1728:20 Unique 2.35, 3.57 A)
&rst
ixpk= 1728, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 538, 539,
igr2=1293,1294,
&end
#
# 0 AMB 20-2:1729 84 GLU HG- 5.50 (# 1729:20 Single Ambig)
&rst
ixpk= 1729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1360,1361, 571, 572,
igr2=1293,1294,
&end
#
# 35 ASN HD2+ 84 GLU HG- 3.50 (# 1730:20 Unique 2.35, 3.57 A)
&rst
ixpk= 1730, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 538, 539,
igr2=1293,1294,
&end
#
# 84 GLU HN 84 GLU HG- 3.50 (# 1731:20 Unique 2.29, 3.15 A)
&rst
ixpk= 1731, nxpk= 20, iat=1286, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1293,1294,
&end
#
# 84 GLU HA 84 GLU HG- 3.50 (# 1732:20 Unique 2.35, 3.26 A)
&rst
ixpk= 1732, nxpk= 20, iat=1288, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1293,1294,
&end
#
# 15 THR HN 54 GLU HG- 5.50 (# 1733:20 Unique 3.28, 4.35 A)
&rst
ixpk= 1733, nxpk= 20, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 855, 856,
&end
#
# 54 GLU HN 54 GLU HG- 3.50 (# 1734:20 Unique 2.41, 3.07 A)
&rst
ixpk= 1734, nxpk= 20, iat= 848, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 855, 856,
&end
#
# 14 ILE QG2 54 GLU HG- 5.50 (# 1735:20 Unique 4.79, 6.61 A)
&rst
ixpk= 1735, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 185, 186, 187,
igr2= 855, 856,
&end
#
# 84 GLU HB- 84 GLU HG+ 2.80 (# 1736:20 Unique 2.35, 2.64 A)
&rst
ixpk= 1736, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1290,1291,
igr2=1293,1294,
&end
#
# 37 PHE HD 84 GLU HG- 5.50 (# 1738:20 Unique 4.39, 7.86 A)
&rst
ixpk= 1738, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 575, 583,
igr2=1293,1294,
&end
#
# 84 GLU HB- 84 GLU HG- 2.80 (# 1739:20 Unique 2.35, 2.64 A)
&rst
ixpk= 1739, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1290,1291,
igr2=1293,1294,
&end
#
# 35 ASN HD2- 84 GLU HG- 5.50 (# 1740:20 Unique 2.35, 3.57 A)
&rst
ixpk= 1740, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 538, 539,
igr2=1293,1294,
&end
#
# 14 ILE HA 14 ILE HB 5.50 (# 1742:20 Unique 3.04, 3.05 A)
&rst
ixpk= 1742, nxpk= 20, iat= 181, 183, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 ILE HG1- 14 ILE HB 4.50 (# 1744:20 Unique 2.47, 2.77 A)
&rst
ixpk= 1744, nxpk= 20, iat= -1, 183, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 189, 190,
&end
#
# 14 ILE QG2 14 ILE HB 2.80 (# 1745:20 Unique 2.43, 2.67 A)
&rst
ixpk= 1745, nxpk= 20, iat= -1, 183, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 185, 186, 187,
&end
#
# 17 ASN HB- 14 ILE HB 5.50 (# 1746:20 Unique 2.40, 3.16 A)
&rst
ixpk= 1746, nxpk= 20, iat= -1, 183, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 235, 236,
&end
#
# 14 ILE HA 14 ILE HB 5.50 (# 1747:20 Unique 3.04, 3.05 A)
&rst
ixpk= 1747, nxpk= 20, iat= 181, 183, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 ILE HG1+ 14 ILE HB 3.50 (# 1749:20 Unique 2.47, 2.77 A)
&rst
ixpk= 1749, nxpk= 20, iat= -1, 183, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 189, 190,
&end
#
# 14 ILE HN 14 ILE HB 3.50 (# 1750:20 Unique 2.44, 2.47 A)
&rst
ixpk= 1750, nxpk= 20, iat= 179, 183, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 103 ASP HN 104 GLU HG- 5.50 (# 1752:20 Unique 2.49, 3.51 A)
&rst
ixpk= 1752, nxpk= 20, iat=1576, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1595,1596,
&end
#
# 102 GLU HB- 104 GLU HG- 5.50 (# 1755:20 Unique 3.28, 5.27 A)
&rst
ixpk= 1755, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1565,1566,
igr2=1595,1596,
&end
#
# 105 PHE HN 104 GLU HG- 5.50 (# 1756:20 Unique 4.83, 5.15 A)
&rst
ixpk= 1756, nxpk= 20, iat=1603, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1595,1596,
&end
#
# 104 GLU HN 104 GLU HG- 3.50 (# 1757:20 Unique 2.35, 3.06 A)
&rst
ixpk= 1757, nxpk= 20, iat=1588, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1595,1596,
&end
#
# 104 GLU HA 104 GLU HG- 2.80 (# 1758:20 Unique 2.40, 2.89 A)
&rst
ixpk= 1758, nxpk= 20, iat=1590, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1595,1596,
&end
#
# 104 GLU HB+ 104 GLU HG- 2.80 (# 1760:20 Unique 2.23, 2.74 A)
&rst
ixpk= 1760, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1592,1593,
igr2=1595,1596,
&end
#
# 87 GLN HE2+ 87 GLN HG+ 5.50 (# 1761:20 Unique 2.27, 3.48 A)
&rst
ixpk= 1761, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1351,1352,
igr2=1346,1347,
&end
#
# 0 AMB 20-2:1762 87 GLN HG- 3.50 (# 1762:20 Single Ambig)
&rst
ixpk= 1762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1341,1288,
igr2=1346,1347,
&end
#
# 47 VAL MGY 87 GLN HG- 4.50 (# 1763:20 Unique 2.57, 4.57 A)
&rst
ixpk= 1763, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1346,1347,
&end
#
# 51 TYR HE 87 GLN HG- 5.50 (# 1764:20 Unique 4.47, 5.86 A)
&rst
ixpk= 1764, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 802, 807,
igr2=1346,1347,
&end
#
# 87 GLN HB- 87 GLN HG- 2.80 (# 1766:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1766, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1343,1344,
igr2=1346,1347,
&end
#
# 87 GLN HN 87 GLN HG- 3.50 (# 1767:20 Unique 2.34, 2.97 A)
&rst
ixpk= 1767, nxpk= 20, iat=1339, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1346,1347,
&end
#
# 51 TYR HE 87 GLN HG+ 4.50 (# 1768:20 Unique 4.47, 5.86 A)
&rst
ixpk= 1768, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 802, 807,
igr2=1346,1347,
&end
#
# 87 GLN HN 87 GLN HG+ 3.50 (# 1769:20 Unique 2.34, 2.97 A)
&rst
ixpk= 1769, nxpk= 20, iat=1339, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1346,1347,
&end
#
# 0 AMB 20-2:1770 0 AMB 20-1:1770 2.80 (# 1770:20 Double Ambig)
&rst
ixpk= 1770, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1341,1288,
igr2=1346,1347,1346,1347,
&end
#
# 87 GLN HB- 87 GLN HG+ 2.80 (# 1772:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1772, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1343,1344,
igr2=1346,1347,
&end
#
# 47 VAL MGY 87 GLN HG+ 4.50 (# 1773:20 Unique 2.57, 4.57 A)
&rst
ixpk= 1773, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1346,1347,
&end
#
# 21 TRP HZ2 102 GLU HG- 5.50 (# 1774:20 Unique 2.64, 3.63 A)
&rst
ixpk= 1774, nxpk= 20, iat= 303, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1568,1569,
&end
#
# 102 GLU HA 102 GLU HG- 4.50 (# 1775:20 Unique 2.70, 3.47 A)
&rst
ixpk= 1775, nxpk= 20, iat=1563, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1568,1569,
&end
#
# 0 AMB 20-2:1776 102 GLU HG- 5.50 (# 1776:20 Single Ambig)
&rst
ixpk= 1776, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1588,1611,1619,
igr2=1568,1569,
&end
#
# 21 TRP HH2 102 GLU HG- 5.50 (# 1777:20 Unique 4.19, 5.17 A)
&rst
ixpk= 1777, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1568,1569,
&end
#
# 102 GLU HB+ 102 GLU HG- 3.50 (# 1779:20 Unique 2.33, 2.64 A)
&rst
ixpk= 1779, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1565,1566,
igr2=1568,1569,
&end
#
# 102 GLU HB- 102 GLU HG- 3.50 (# 1780:20 Unique 2.33, 2.64 A)
&rst
ixpk= 1780, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1565,1566,
igr2=1568,1569,
&end
#
# 21 TRP HZ2 102 GLU HG+ 5.50 (# 1781:20 Unique 2.64, 3.63 A)
&rst
ixpk= 1781, nxpk= 20, iat= 303, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1568,1569,
&end
#
# 104 GLU HN 102 GLU HG+ 5.50 (# 1782:20 Unique 2.83, 5.51 A)
&rst
ixpk= 1782, nxpk= 20, iat=1588, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1568,1569,
&end
#
# 0 AMB 20-2:1783 0 AMB 20-1:1783 5.50 (# 1783:20 Double Ambig)
&rst
ixpk= 1783, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1502,1503,1544,
igr2=1568,1569,1568,1569,
&end
#
# 102 GLU HA 102 GLU HG+ 4.50 (# 1784:20 Unique 2.70, 3.47 A)
&rst
ixpk= 1784, nxpk= 20, iat=1563, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1568,1569,
&end
#
# 21 TRP HH2 102 GLU HG+ 5.50 (# 1785:20 Unique 4.19, 5.17 A)
&rst
ixpk= 1785, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1568,1569,
&end
#
# 21 TRP HE1 102 GLU HG+ 5.50 (# 1786:20 Unique 2.60, 3.21 A)
&rst
ixpk= 1786, nxpk= 20, iat= 300, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1568,1569,
&end
#
# 0 AMB 20-2:1787 0 AMB 20-1:1787 5.50 (# 1787:20 Double Ambig)
&rst
ixpk= 1787, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1576,1542,
igr2=1568,1569,1568,1569,
&end
#
# 90 MET HA 90 MET HG+ 4.50 (# 1789:20 Unique 2.17, 2.91 A)
&rst
ixpk= 1789, nxpk= 20, iat=1379, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1384,1385,
&end
#
# 0 AMB 20-2:1790 0 AMB 20-1:1790 3.50 (# 1790:20 Double Ambig)
&rst
ixpk= 1790, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1751,1752,1415,
igr2=1746,1747,1384,1385,
&end
#
# 113 GLN HE2+ 113 GLN HG+ 5.50 (# 1792:20 Unique 2.25, 3.28 A)
&rst
ixpk= 1792, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1751,1752,
igr2=1746,1747,
&end
#
# 90 MET HN 90 MET HG- 5.50 (# 1798:20 Unique 1.80, 3.53 A)
&rst
ixpk= 1798, nxpk= 20, iat=1377, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1384,1385,
&end
#
# 90 MET HA 90 MET HG- 5.50 (# 1799:20 Unique 2.17, 2.91 A)
&rst
ixpk= 1799, nxpk= 20, iat=1379, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1384,1385,
&end
#
# 0 AMB 20-2:1802 0 AMB 20-1:1802 2.80 (# 1802:20 Double Ambig)
&rst
ixpk= 1802, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
igr1=1388,1389,1390,1384,1385,
igr2=1381,1382,1381,1382,
&end
#
# 0 AMB 20-2:1803 0 AMB 20-1:1803 5.50 (# 1803:20 Double Ambig)
&rst
ixpk= 1803, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1445,1446,1447,1689,1690,1691,1693,1694,1695,
igr2=1384,1385,1746,1747,
&end
#
# 90 MET HN 90 MET HG+ 5.50 (# 1804:20 Unique 1.80, 3.53 A)
&rst
ixpk= 1804, nxpk= 20, iat=1377, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1384,1385,
&end
#
# 0 AMB 20-2:1805 0 AMB 20-1:1805 5.50 (# 1805:20 Double Ambig)
&rst
ixpk= 1805, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1685,1410,1411,
igr2=1746,1747,1384,1385,
&end
#
# 113 GLN HN 113 GLN HG- 3.50 (# 1807:20 Unique 2.36, 3.06 A)
&rst
ixpk= 1807, nxpk= 20, iat=1739, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1746,1747,
&end
#
# 113 GLN HA 113 GLN HG- 3.50 (# 1808:20 Unique 2.49, 2.86 A)
&rst
ixpk= 1808, nxpk= 20, iat=1741, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1746,1747,
&end
#
# 0 AMB 20-2:1809 0 AMB 20-1:1809 5.50 (# 1809:20 Double Ambig)
&rst
ixpk= 1809, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1310,1311,1312,1314,1315,1316,1551,1552,1553,1555,
1556,1557,
igr2=1384,1385,1384,1385,
&end
#
# 113 GLN HN 113 GLN HG+ 3.50 (# 1813:20 Unique 2.36, 3.06 A)
&rst
ixpk= 1813, nxpk= 20, iat=1739, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1746,1747,
&end
#
# 94 THR MG2 90 MET HG- 5.50 (# 1815:20 Unique 3.37, 6.80 A)
&rst
ixpk= 1815, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1445,1446,1447,
igr2=1384,1385,
&end
#
# 90 MET HB+ 90 MET HG- 3.50 (# 1816:20 Unique 2.22, 2.70 A)
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1381,1382,
igr2=1384,1385,
&end
#
# 90 MET HA 90 MET HB+ 3.50 (# 1817:20 Unique 2.25, 2.72 A)
&rst
ixpk= 1817, nxpk= 20, iat=1379, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1381,1382,
&end
#
# 0 AMB 20-2:1818 0 AMB 20-1:1818 4.50 (# 1818:20 Double Ambig)
&rst
ixpk= 1818, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1310,1311,1312,1314,1315,1316,1551,1552,1553,1555,
1556,1557,
igr2=1381,1382,1381,1382,
&end
#
# 90 MET HN 90 MET HB+ 4.50 (# 1819:20 Unique 2.02, 3.02 A)
&rst
ixpk= 1819, nxpk= 20, iat=1377, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1381,1382,
&end
#
# 90 MET HN 90 MET HB- 5.50 (# 1822:20 Unique 2.02, 3.02 A)
&rst
ixpk= 1822, nxpk= 20, iat=1377, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1381,1382,
&end
#
# 90 MET HA 90 MET HB- 3.50 (# 1823:20 Unique 2.25, 2.72 A)
&rst
ixpk= 1823, nxpk= 20, iat=1379, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1381,1382,
&end
#
# 0 AMB 20-2:1825 90 MET HB- 4.50 (# 1825:20 Single Ambig)
&rst
ixpk= 1825, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1310,1311,1312,1314,1315,1316,1551,1552,1553,1555,
1556,1557,
igr2=1381,1382,
&end
#
# 58 GLN HA 58 GLN HG- 3.50 (# 1827:20 Unique 2.91, 3.53 A)
&rst
ixpk= 1827, nxpk= 20, iat= 912, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 917, 918,
&end
#
# 58 GLN HB- 58 GLN HG- 2.80 (# 1828:20 Unique 2.42, 2.60 A)
&rst
ixpk= 1828, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 914, 915,
igr2= 917, 918,
&end
#
# 0 AMB 20-2:1831 0 AMB 20-1:1831 5.50 (# 1831:20 Double Ambig)
&rst
ixpk= 1831, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.00, r4=12.75,
igr1= 638, 639, 640, 642, 643, 644,1052,1053,1054,1056,
1057,1058,1705,1706,1707,1709,1710,1711,
igr2= 917, 918,1090,1091,1090,1091,
&end
#
# 58 GLN HN 58 GLN HG- 5.50 (# 1833:20 Unique 2.38, 4.22 A)
&rst
ixpk= 1833, nxpk= 20, iat= 910, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 917, 918,
&end
#
# 0 AMB 20-2:1834 0 AMB 20-1:1834 2.80 (# 1834:20 Double Ambig)
&rst
ixpk= 1834, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 922, 923,1083,
igr2= 917, 918,1090,1091,
&end
#
# 58 GLN HE2- 58 GLN HG- 3.50 (# 1835:20 Unique 2.25, 3.39 A)
&rst
ixpk= 1835, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 922, 923,
igr2= 917, 918,
&end
#
# 0 AMB 20-2:1836 0 AMB 20-1:1836 2.80 (# 1836:20 Double Ambig)
&rst
ixpk= 1836, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1087,1088, 914, 915,
igr2=1090,1091, 917, 918,
&end
#
# 70 GLN HE2- 70 GLN HG- 5.50 (# 1837:20 Unique 2.31, 3.47 A)
&rst
ixpk= 1837, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1095,1096,
igr2=1090,1091,
&end
#
# 0 AMB 20-2:1838 0 AMB 20-1:1838 5.50 (# 1838:20 Double Ambig)
&rst
ixpk= 1838, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
igr1= 638, 639, 640, 642, 643, 644,1052,1053,1054,1056,
1057,1058,1705,1706,1707,1709,1710,1711,
igr2= 917, 918,1090,1091,
&end
#
# 0 AMB 20-2:1839 70 GLN HG- 5.50 (# 1839:20 Single Ambig)
&rst
ixpk= 1839, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1052,1053,1054,1056,1057,1058, 403, 404, 405,
igr2=1090,1091,
&end
#
# 70 GLN HE2+ 70 GLN HG- 3.50 (# 1840:20 Unique 2.31, 3.47 A)
&rst
ixpk= 1840, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1095,1096,
igr2=1090,1091,
&end
#
# 70 GLN HA 70 GLN HG- 2.80 (# 1841:20 Unique 2.39, 2.67 A)
&rst
ixpk= 1841, nxpk= 20, iat=1085, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1090,1091,
&end
#
# 69 ALA MB 70 GLN HG- 5.50 (# 1843:20 Unique 3.50, 5.24 A)
&rst
ixpk= 1843, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1077,1078,1079,
igr2=1090,1091,
&end
#
# 0 AMB 20-2:1844 0 AMB 20-1:1844 5.50 (# 1844:20 Double Ambig)
&rst
ixpk= 1844, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1100,1043,
igr2=1090,1091,1090,1091,
&end
#
# 0 AMB 20-2:1845 0 AMB 20-1:1845 3.50 (# 1845:20 Double Ambig)
&rst
ixpk= 1845, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 922, 923,1083,
igr2= 917, 918,1090,1091,
&end
#
# 70 GLN HA 70 GLN HG+ 2.80 (# 1846:20 Unique 2.39, 2.67 A)
&rst
ixpk= 1846, nxpk= 20, iat=1085, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1090,1091,
&end
#
# 70 GLN HE2+ 70 GLN HG+ 3.50 (# 1848:20 Unique 2.31, 3.47 A)
&rst
ixpk= 1848, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1095,1096,
igr2=1090,1091,
&end
#
# 0 AMB 20-2:1850 0 AMB 20-1:1850 2.80 (# 1850:20 Double Ambig)
&rst
ixpk= 1850, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1087,1088, 914, 915,
igr2=1090,1091, 917, 918,
&end
#
# 69 ALA MB 70 GLN HG+ 4.50 (# 1851:20 Unique 3.50, 5.24 A)
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1077,1078,1079,
igr2=1090,1091,
&end
#
# 78 MET HB+ 78 MET HG+ 4.50 (# 1852:20 Unique 2.28, 2.61 A)
&rst
ixpk= 1852, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1201,1202,
igr2=1204,1205,
&end
#
# 0 AMB 20-2:1853 0 AMB 20-1:1853 3.50 (# 1853:20 Double Ambig)
&rst
ixpk= 1853, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
igr2=1204,1205,1204,1205,
&end
#
# 78 MET HA 78 MET HG+ 5.50 (# 1854:20 Unique 2.64, 3.34 A)
&rst
ixpk= 1854, nxpk= 20, iat=1199, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1204,1205,
&end
#
# 0 AMB 20-2:1856 0 AMB 20-1:1856 4.50 (# 1856:20 Double Ambig)
&rst
ixpk= 1856, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.84, r4= 8.59,
igr1=1012,1013,1014,1016,1017,1018,1252,
igr2=1204,1205,1204,1205,
&end
#
# 0 AMB 20-2:1857 0 AMB 20-1:1857 5.50 (# 1857:20 Double Ambig)
&rst
ixpk= 1857, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1012,1013,1014,1016,1017,1018,1127,1128,1129,
igr2=1204,1205,1204,1205,
&end
#
# 0 AMB 20-2:1860 78 MET HG- 3.50 (# 1860:20 Single Ambig)
&rst
ixpk= 1860, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
igr1=1012,1013,1014,1016,1017,1018,1252,
igr2=1204,1205,
&end
#
# 0 AMB 20-2:1861 78 MET HG- 3.50 (# 1861:20 Single Ambig)
&rst
ixpk= 1861, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
igr2=1204,1205,
&end
#
# 78 MET HB+ 78 MET HG- 3.50 (# 1862:20 Unique 2.28, 2.61 A)
&rst
ixpk= 1862, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1201,1202,
igr2=1204,1205,
&end
#
# 0 AMB 20-2:1863 78 MET HG- 5.50 (# 1863:20 Single Ambig)
&rst
ixpk= 1863, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1012,1013,1014,1016,1017,1018,1127,1128,1129,
igr2=1204,1205,
&end
#
# 0 AMB 20-2:1865 0 AMB 20-1:1865 5.50 (# 1865:20 Double Ambig)
&rst
ixpk= 1865, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,1705,1706,1707,1709,1710,1711,
igr2= 917, 918,1090,1091,
&end
#
# 66 PRO HA 70 GLN HG+ 5.50 (# 1866:20 Unique 3.93, 4.99 A)
&rst
ixpk= 1866, nxpk= 20, iat=1039, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1090,1091,
&end
#
# 70 GLN HE2- 70 GLN HG+ 5.50 (# 1867:20 Unique 2.31, 3.47 A)
&rst
ixpk= 1867, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1095,1096,
igr2=1090,1091,
&end
#
# 22 LEU HB+ 78 MET HG+ 3.50 (# 1868:20 Unique 3.02, 3.73 A)
&rst
ixpk= 1868, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 318, 319,
igr2=1204,1205,
&end
#
# 19 LEU HG 78 MET HG+ 4.50 (# 1869:20 Unique 4.49, 4.99 A)
&rst
ixpk= 1869, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1204,1205,
&end
#
# 80 ALA HA 83 LYS HB+ 4.50 (# 1870:20 Unique 2.29, 2.77 A)
&rst
ixpk= 1870, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1268,1269,
&end
#
# 56 LEU HG 60 HIS HB- 5.50 (# 1872:20 Unique 2.19, 2.74 A)
&rst
ixpk= 1872, nxpk= 20, iat= 884, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 943, 944,
&end
#
# 57 THR HN 60 HIS HB- 5.50 (# 1873:20 Unique 1.94, 2.83 A)
&rst
ixpk= 1873, nxpk= 20, iat= 896, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 943, 944,
&end
#
# 61 VAL HN 60 HIS HB- 5.50 (# 1874:20 Unique 2.52, 3.09 A)
&rst
ixpk= 1874, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 943, 944,
&end
#
# 0 AMB 20-2:1875 60 HIS HB- 3.50 (# 1875:20 Single Ambig)
&rst
ixpk= 1875, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 221, 222, 223, 225, 226, 227, 962, 963, 964, 966,
967, 968,
igr2= 943, 944,
&end
#
# 60 HIS HN 60 HIS HB- 4.50 (# 1876:20 Unique 2.49, 3.06 A)
&rst
ixpk= 1876, nxpk= 20, iat= 939, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 943, 944,
&end
#
# 0 AMB 20-2:1877 60 HIS HB- 5.50 (# 1877:20 Single Ambig)
&rst
ixpk= 1877, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 881, 882,1641,1642,
igr2= 943, 944,
&end
#
# 56 LEU HG 60 HIS HB- 5.50 (# 1878:20 Unique 2.19, 2.74 A)
&rst
ixpk= 1878, nxpk= 20, iat= 884, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 943, 944,
&end
#
# 57 THR HN 60 HIS HB+ 5.50 (# 1880:20 Unique 1.94, 2.83 A)
&rst
ixpk= 1880, nxpk= 20, iat= 896, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 943, 944,
&end
#
# 60 HIS HA 60 HIS HB+ 3.50 (# 1881:20 Unique 2.44, 2.74 A)
&rst
ixpk= 1881, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 943, 944,
&end
#
# 56 LEU MDX 60 HIS HB+ 5.50 (# 1882:20 Unique 2.34, 3.87 A)
&rst
ixpk= 1882, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 886, 887, 888, 890, 891, 892,
igr2= 943, 944,
&end
#
# 83 LYS HA 83 LYS HB- 4.50 (# 1883:20 Unique 2.38, 2.77 A)
&rst
ixpk= 1883, nxpk= 20, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1268,1269,
&end
#
# 0 AMB 20-2:1884 0 AMB 20-1:1884 5.50 (# 1884:20 Double Ambig)
&rst
ixpk= 1884, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 733, 734, 735, 737, 738, 739, 717, 718, 719, 721,
722, 723,
igr2=1268,1269, 757, 758,
&end
#
# 83 LYS HN 83 LYS HB- 3.50 (# 1885:20 Unique 2.08, 2.47 A)
&rst
ixpk= 1885, nxpk= 20, iat=1264, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1268,1269,
&end
#
# 0 AMB 20-2:1886 0 AMB 20-1:1886 4.50 (# 1886:20 Double Ambig)
&rst
ixpk= 1886, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 710,1288,
igr2= 757, 758,1268,1269,
&end
#
# 80 ALA HA 83 LYS HB- 3.50 (# 1887:20 Unique 2.29, 2.77 A)
&rst
ixpk= 1887, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1268,1269,
&end
#
# 0 AMB 20-2:1888 83 LYS HB- 3.50 (# 1888:20 Single Ambig)
&rst
ixpk= 1888, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1274,1275,1274,1275,
igr2=1268,1269,
&end
#
# 83 LYS HG- 83 LYS HB- 2.80 (# 1889:20 Unique 2.42, 2.76 A)
&rst
ixpk= 1889, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1271,1272,
igr2=1268,1269,
&end
#
# 49 MET HN 49 MET HB- 2.80 (# 1891:20 Unique 2.39, 3.02 A)
&rst
ixpk= 1891, nxpk= 20, iat= 753, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 757, 758,
&end
#
# 0 AMB 20-2:1892 83 LYS HB- 3.50 (# 1892:20 Single Ambig)
&rst
ixpk= 1892, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1286, 684, 688,
igr2=1268,1269,
&end
#
# 49 MET HA 49 MET HB- 2.80 (# 1893:20 Unique 2.51, 2.78 A)
&rst
ixpk= 1893, nxpk= 20, iat= 755, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 757, 758,
&end
#
# 50 LYS HN 49 MET HB- 3.50 (# 1894:20 Unique 3.07, 3.55 A)
&rst
ixpk= 1894, nxpk= 20, iat= 770, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 757, 758,
&end
#
# 83 LYS HN 83 LYS HB+ 2.80 (# 1895:20 Unique 2.08, 2.47 A)
&rst
ixpk= 1895, nxpk= 20, iat=1264, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1268,1269,
&end
#
# 44 PHE HE 83 LYS HB+ 4.50 (# 1897:20 Unique 3.07, 5.84 A)
&rst
ixpk= 1897, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 684, 688,
igr2=1268,1269,
&end
#
# 83 LYS HA 83 LYS HB+ 3.50 (# 1898:20 Unique 2.38, 2.77 A)
&rst
ixpk= 1898, nxpk= 20, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1268,1269,
&end
#
# 0 AMB 20-2:1899 0 AMB 20-1:1899 3.50 (# 1899:20 Double Ambig)
&rst
ixpk= 1899, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1274,1275,1274,1275,
igr2=1268,1269,1268,1269,
&end
#
# 83 LYS HG- 83 LYS HB+ 3.50 (# 1900:20 Unique 2.42, 2.76 A)
&rst
ixpk= 1900, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1271,1272,
igr2=1268,1269,
&end
#
# 60 HIS HA 60 HIS HB- 4.50 (# 1904:20 Unique 2.44, 2.74 A)
&rst
ixpk= 1904, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 943, 944,
&end
#
# 56 LEU MDX 60 HIS HB- 5.50 (# 1907:20 Unique 2.34, 3.87 A)
&rst
ixpk= 1907, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 886, 887, 888, 890, 891, 892,
igr2= 943, 944,
&end
#
# 56 LEU HG 60 HIS HB+ 4.50 (# 1909:20 Unique 2.19, 2.74 A)
&rst
ixpk= 1909, nxpk= 20, iat= 884, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 943, 944,
&end
#
# 0 AMB 20-2:1910 0 AMB 20-1:1910 5.50 (# 1910:20 Double Ambig)
&rst
ixpk= 1910, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 881, 882,1641,1642,
igr2= 943, 944, 943, 944,
&end
#
# 0 AMB 20-2:1913 0 AMB 20-1:1913 2.80 (# 1913:20 Double Ambig)
&rst
ixpk= 1913, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 221, 222, 223, 225, 226, 227, 962, 963, 964, 966,
967, 968,
igr2= 943, 944, 943, 944,
&end
#
# 60 HIS HN 60 HIS HB+ 5.50 (# 1914:20 Unique 2.49, 3.06 A)
&rst
ixpk= 1914, nxpk= 20, iat= 939, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 943, 944,
&end
#
# 56 LEU MDX 60 HIS HB+ 5.50 (# 1915:20 Unique 2.34, 3.87 A)
&rst
ixpk= 1915, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 886, 887, 888, 890, 891, 892,
igr2= 943, 944,
&end
#
# 49 MET HG- 49 MET HB- 2.80 (# 1917:20 Unique 2.46, 2.77 A)
&rst
ixpk= 1917, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 760, 761,
igr2= 757, 758,
&end
#
# 49 MET HG+ 49 MET HB- 2.80 (# 1918:20 Unique 2.46, 2.77 A)
&rst
ixpk= 1918, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 760, 761,
igr2= 757, 758,
&end
#
# 117 VAL MGX 117 VAL HB 2.80 (# 1923:20 Unique 2.34, 2.66 A)
&rst
ixpk= 1923, nxpk= 20, iat= -1,1789, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1791,1792,1793,1795,1796,1797,
&end
#
# 117 VAL HN 117 VAL HB 3.50 (# 1924:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1924, nxpk= 20, iat=1785,1789, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 117 VAL HA 117 VAL HB 3.50 (# 1925:20 Unique 2.35, 2.77 A)
&rst
ixpk= 1925, nxpk= 20, iat=1787,1789, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1927 49 MET HG- 2.80 (# 1927:20 Single Ambig)
&rst
ixpk= 1927, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 757, 758, 870, 871,
igr2= 760, 761,
&end
#
# 55 PRO HG- 49 MET HG+ 5.50 (# 1928:20 Unique 4.71, 5.51 A)
&rst
ixpk= 1928, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 867, 868,
igr2= 760, 761,
&end
#
# 0 AMB 20-2:1929 0 AMB 20-1:1929 2.80 (# 1929:20 Double Ambig)
&rst
ixpk= 1929, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 757, 758, 870, 871,
igr2= 760, 761, 760, 761,
&end
#
# 0 AMB 20-2:1930 66 PRO HB- 5.50 (# 1930:20 Single Ambig)
&rst
ixpk= 1930, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1050,1077,1078,1079,
igr2=1036,1037,
&end
#
# 66 PRO HA 66 PRO HB- 2.80 (# 1931:20 Unique 2.27, 2.63 A)
&rst
ixpk= 1931, nxpk= 20, iat=1039, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1036,1037,
&end
#
# 66 PRO HD- 66 PRO HB- 3.50 (# 1932:20 Unique 2.81, 3.67 A)
&rst
ixpk= 1932, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1030,1031,
igr2=1036,1037,
&end
#
# 66 PRO HD+ 66 PRO HB- 3.50 (# 1933:20 Unique 2.81, 3.67 A)
&rst
ixpk= 1933, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1030,1031,
igr2=1036,1037,
&end
#
# 66 PRO HG- 66 PRO HB- 2.80 (# 1934:20 Unique 2.37, 2.63 A)
&rst
ixpk= 1934, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1033,1034,
igr2=1036,1037,
&end
#
# 66 PRO HG+ 66 PRO HB- 2.80 (# 1935:20 Unique 2.37, 2.63 A)
&rst
ixpk= 1935, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1033,1034,
igr2=1036,1037,
&end
#
# 66 PRO HD- 66 PRO HB+ 5.50 (# 1938:20 Unique 2.81, 3.67 A)
&rst
ixpk= 1938, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1030,1031,
igr2=1036,1037,
&end
#
# 66 PRO HA 66 PRO HB+ 2.80 (# 1939:20 Unique 2.27, 2.63 A)
&rst
ixpk= 1939, nxpk= 20, iat=1039, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1036,1037,
&end
#
# 66 PRO HD+ 66 PRO HB+ 4.50 (# 1940:20 Unique 2.81, 3.67 A)
&rst
ixpk= 1940, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1030,1031,
igr2=1036,1037,
&end
#
# 31 ARG HD- 31 ARG HB- 5.50 (# 1943:20 Unique 2.34, 3.02 A)
&rst
ixpk= 1943, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 452, 453,
igr2= 446, 447,
&end
#
# 26 VAL MGX 31 ARG HB- 5.50 (# 1944:20 Unique 2.34, 4.22 A)
&rst
ixpk= 1944, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 380, 381, 382, 384, 385, 386,
igr2= 446, 447,
&end
#
# 31 ARG HN 31 ARG HB- 5.50 (# 1945:20 Unique 2.21, 2.90 A)
&rst
ixpk= 1945, nxpk= 20, iat= 442, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 446, 447,
&end
#
# 31 ARG HD+ 31 ARG HB- 4.50 (# 1946:20 Unique 2.34, 3.02 A)
&rst
ixpk= 1946, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 452, 453,
igr2= 446, 447,
&end
#
# 0 AMB 20-2:1947 31 ARG HB- 3.50 (# 1947:20 Single Ambig)
&rst
ixpk= 1947, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 449, 450, 514, 515,
igr2= 446, 447,
&end
#
# 31 ARG HA 31 ARG HB- 2.80 (# 1948:20 Unique 2.34, 2.64 A)
&rst
ixpk= 1948, nxpk= 20, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 446, 447,
&end
#
# 26 VAL MGY 31 ARG HB- 5.50 (# 1950:20 Unique 2.34, 4.22 A)
&rst
ixpk= 1950, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 380, 381, 382, 384, 385, 386,
igr2= 446, 447,
&end
#
# 34 LEU HG 31 ARG HB- 4.50 (# 1951:20 Unique 2.39, 4.47 A)
&rst
ixpk= 1951, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 446, 447,
&end
#
# 31 ARG HD- 31 ARG HB+ 4.50 (# 1952:20 Unique 2.34, 3.02 A)
&rst
ixpk= 1952, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 452, 453,
igr2= 446, 447,
&end
#
# 31 ARG HN 31 ARG HB+ 5.50 (# 1953:20 Unique 2.21, 2.90 A)
&rst
ixpk= 1953, nxpk= 20, iat= 442, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 446, 447,
&end
#
# 31 ARG HD+ 31 ARG HB+ 4.50 (# 1954:20 Unique 2.34, 3.02 A)
&rst
ixpk= 1954, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 452, 453,
igr2= 446, 447,
&end
#
# 0 AMB 20-2:1956 0 AMB 20-1:1956 2.80 (# 1956:20 Double Ambig)
&rst
ixpk= 1956, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 449, 450, 514, 515,
igr2= 446, 447, 446, 447,
&end
#
# 31 ARG HA 31 ARG HB+ 3.50 (# 1957:20 Unique 2.34, 2.64 A)
&rst
ixpk= 1957, nxpk= 20, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 446, 447,
&end
#
# 34 LEU HG 31 ARG HB+ 4.50 (# 1958:20 Unique 2.39, 4.47 A)
&rst
ixpk= 1958, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 446, 447,
&end
#
# 0 AMB 20-2:1960 49 MET HG- 3.50 (# 1960:20 Single Ambig)
&rst
ixpk= 1960, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 755, 873,
igr2= 760, 761,
&end
#
# 55 PRO HG- 49 MET HG- 5.50 (# 1961:20 Unique 4.71, 5.51 A)
&rst
ixpk= 1961, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 867, 868,
igr2= 760, 761,
&end
#
# 49 MET HN 49 MET HG- 3.50 (# 1962:20 Unique 2.23, 2.87 A)
&rst
ixpk= 1962, nxpk= 20, iat= 753, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 760, 761,
&end
#
# 0 AMB 20-2:1964 0 AMB 20-1:1964 3.50 (# 1964:20 Double Ambig)
&rst
ixpk= 1964, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 755, 873,
igr2= 760, 761, 760, 761,
&end
#
# 49 MET HN 49 MET HG+ 4.50 (# 1965:20 Unique 2.23, 2.87 A)
&rst
ixpk= 1965, nxpk= 20, iat= 753, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 760, 761,
&end
#
# 67 LEU HN 66 PRO HB- 5.50 (# 1967:20 Unique 2.62, 3.61 A)
&rst
ixpk= 1967, nxpk= 20, iat=1043, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1036,1037,
&end
#
# 0 AMB 20-2:1968 66 PRO HB- 4.50 (# 1968:20 Single Ambig)
&rst
ixpk= 1968, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1050,1077,1078,1079,
igr2=1036,1037,
&end
#
# 49 MET HG- 55 PRO HB- 4.50 (# 1969:20 Unique 3.52, 4.63 A)
&rst
ixpk= 1969, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 760, 761,
igr2= 870, 871,
&end
#
# 56 LEU HN 55 PRO HB- 4.50 (# 1970:20 Unique 3.52, 3.82 A)
&rst
ixpk= 1970, nxpk= 20, iat= 877, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 870, 871,
&end
#
# 55 PRO HA 55 PRO HB- 2.80 (# 1971:20 Unique 2.29, 2.52 A)
&rst
ixpk= 1971, nxpk= 20, iat= 873, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 870, 871,
&end
#
# 55 PRO HD- 55 PRO HB- 3.50 (# 1973:20 Unique 2.94, 3.72 A)
&rst
ixpk= 1973, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 864, 865,
igr2= 870, 871,
&end
#
# 55 PRO HD+ 55 PRO HB- 4.50 (# 1974:20 Unique 2.94, 3.72 A)
&rst
ixpk= 1974, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 864, 865,
igr2= 870, 871,
&end
#
# 0 AMB 20-2:1975 0 AMB 20-1:1975 5.50 (# 1975:20 Double Ambig)
&rst
ixpk= 1975, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 698, 699, 760, 761,
igr2= 870, 871, 870, 871,
&end
#
# 55 PRO HA 55 PRO HB+ 2.80 (# 1976:20 Unique 2.29, 2.52 A)
&rst
ixpk= 1976, nxpk= 20, iat= 873, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 870, 871,
&end
#
# 55 PRO HG- 55 PRO HB+ 2.80 (# 1978:20 Unique 2.37, 2.62 A)
&rst
ixpk= 1978, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 867, 868,
igr2= 870, 871,
&end
#
# 56 LEU HN 55 PRO HB+ 4.50 (# 1979:20 Unique 3.52, 3.82 A)
&rst
ixpk= 1979, nxpk= 20, iat= 877, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 870, 871,
&end
#
# 55 PRO HD+ 55 PRO HB+ 4.50 (# 1980:20 Unique 2.94, 3.72 A)
&rst
ixpk= 1980, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 864, 865,
igr2= 870, 871,
&end
#
# 50 LYS HG- 50 LYS HB- 3.50 (# 1982:20 Unique 2.36, 2.75 A)
&rst
ixpk= 1982, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 777, 778,
igr2= 774, 775,
&end
#
# 50 LYS HG+ 50 LYS HB- 2.80 (# 1983:20 Unique 2.36, 2.75 A)
&rst
ixpk= 1983, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 777, 778,
igr2= 774, 775,
&end
#
# 0 AMB 20-2:1984 50 LYS HB- 2.80 (# 1984:20 Single Ambig)
&rst
ixpk= 1984, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 770, 792,
igr2= 774, 775,
&end
#
# 50 LYS HA 50 LYS HB- 2.80 (# 1985:20 Unique 2.46, 2.79 A)
&rst
ixpk= 1985, nxpk= 20, iat= 772, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 774, 775,
&end
#
# 50 LYS HD+ 50 LYS HB- 2.80 (# 1987:20 Unique 2.40, 3.01 A)
&rst
ixpk= 1987, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 780, 781,
igr2= 774, 775,
&end
#
# 47 VAL HA 50 LYS HB- 4.50 (# 1988:20 Unique 3.17, 3.89 A)
&rst
ixpk= 1988, nxpk= 20, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 774, 775,
&end
#
# 51 TYR HB+ 50 LYS HB- 4.50 (# 1989:20 Unique 4.73, 5.86 A)
&rst
ixpk= 1989, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 796, 797,
igr2= 774, 775,
&end
#
# 66 PRO HG- 66 PRO HB+ 2.80 (# 1992:20 Unique 2.37, 2.63 A)
&rst
ixpk= 1992, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1033,1034,
igr2=1036,1037,
&end
#
# 0 AMB 20-2:1994 0 AMB 20-1:1994 2.80 (# 1994:20 Double Ambig)
&rst
ixpk= 1994, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 770,1043,
igr2= 774, 775,1036,1037,
&end
#
# 51 TYR HD 50 LYS HB+ 4.50 (# 1995:20 Unique 2.91, 4.81 A)
&rst
ixpk= 1995, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 800, 809,
igr2= 774, 775,
&end
#
# 50 LYS HA 50 LYS HB+ 2.80 (# 1996:20 Unique 2.46, 2.79 A)
&rst
ixpk= 1996, nxpk= 20, iat= 772, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 774, 775,
&end
#
# 47 VAL HA 50 LYS HB+ 4.50 (# 1997:20 Unique 3.17, 3.89 A)
&rst
ixpk= 1997, nxpk= 20, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 774, 775,
&end
#
# 66 PRO HG+ 66 PRO HB+ 2.80 (# 1998:20 Unique 2.37, 2.63 A)
&rst
ixpk= 1998, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1033,1034,
igr2=1036,1037,
&end
#
# 50 LYS HD+ 50 LYS HB+ 2.80 (# 1999:20 Unique 2.40, 3.01 A)
&rst
ixpk= 1999, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 780, 781,
igr2= 774, 775,
&end
#
# 50 LYS HG- 50 LYS HB+ 2.80 (# 2000:20 Unique 2.36, 2.75 A)
&rst
ixpk= 2000, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 777, 778,
igr2= 774, 775,
&end
#
# 0 AMB 20-2:2001 0 AMB 20-1:2001 2.80 (# 2001:20 Double Ambig)
&rst
ixpk= 2001, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
igr1=1705,1706,1707,1709,1710,1711, 777, 778,
igr2=1036,1037, 774, 775,
&end
#
# 19 LEU HN 18 VAL HB 3.50 (# 2003:20 Unique 2.63, 2.73 A)
&rst
ixpk= 2003, nxpk= 20, iat= 261, 249, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 53 TYR HE 18 VAL HB 5.50 (# 2004:20 Unique 2.77, 5.02 A)
&rst
ixpk= 2004, nxpk= 20, iat= -1, 249, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 837, 842,
&end
#
# 18 VAL HA 18 VAL HB 5.50 (# 2005:20 Unique 3.03, 3.04 A)
&rst
ixpk= 2005, nxpk= 20, iat= 247, 249, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 THR MG2 18 VAL HB 5.50 (# 2006:20 Unique 4.14, 5.05 A)
&rst
ixpk= 2006, nxpk= 20, iat= -1, 249, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 204, 205, 206,
&end
#
# 18 VAL HN 18 VAL HB 4.50 (# 2007:20 Unique 2.49, 2.64 A)
&rst
ixpk= 2007, nxpk= 20, iat= 245, 249, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 18 VAL MGX 18 VAL HB 2.80 (# 2009:20 Unique 2.37, 2.67 A)
&rst
ixpk= 2009, nxpk= 20, iat= -1, 249, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 18 VAL MGY 18 VAL HB 2.80 (# 2010:20 Unique 2.37, 2.67 A)
&rst
ixpk= 2010, nxpk= 20, iat= -1, 249, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 45 ASN HD2+ 55 PRO HB+ 5.50 (# 2013:20 Unique 2.67, 3.35 A)
&rst
ixpk= 2013, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 703, 704,
igr2= 870, 871,
&end
#
# 47 VAL HA 50 LYS HB+ 4.50 (# 2014:20 Unique 3.17, 3.89 A)
&rst
ixpk= 2014, nxpk= 20, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 774, 775,
&end
#
# 26 VAL HN 26 VAL HB 2.80 (# 2015:20 Unique 2.48, 2.55 A)
&rst
ixpk= 2015, nxpk= 20, iat= 374, 378, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 26 VAL HA 26 VAL HB 3.50 (# 2016:20 Unique 3.04, 3.05 A)
&rst
ixpk= 2016, nxpk= 20, iat= 376, 378, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 ILE HN 26 VAL HB 3.50 (# 2017:20 Unique 2.55, 2.64 A)
&rst
ixpk= 2017, nxpk= 20, iat= 390, 378, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 110 VAL HN 110 VAL HB 2.80 (# 2018:20 Unique 2.53, 2.58 A)
&rst
ixpk= 2018, nxpk= 20, iat=1683,1687, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 110 VAL HA 110 VAL HB 2.80 (# 2020:20 Unique 2.30, 2.92 A)
&rst
ixpk= 2020, nxpk= 20, iat=1685,1687, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 110 VAL MGX 110 VAL HB 2.80 (# 2021:20 Unique 2.38, 2.62 A)
&rst
ixpk= 2021, nxpk= 20, iat= -1,1687, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1689,1690,1691,1693,1694,1695,
&end
#
# 111 VAL MGX 111 VAL HB 2.80 (# 2022:20 Unique 2.42, 2.64 A)
&rst
ixpk= 2022, nxpk= 20, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1705,1706,1707,1709,1710,1711,
&end
#
# 111 VAL HN 111 VAL HB 2.80 (# 2023:20 Unique 2.05, 2.23 A)
&rst
ixpk= 2023, nxpk= 20, iat=1699,1703, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 112 ARG HN 111 VAL HB 3.50 (# 2024:20 Unique 2.40, 2.58 A)
&rst
ixpk= 2024, nxpk= 20, iat=1715,1703, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 108 PHE HA 111 VAL HB 2.80 (# 2025:20 Unique 2.24, 2.36 A)
&rst
ixpk= 2025, nxpk= 20, iat=1653,1703, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 VAL HA 111 VAL HB 2.80 (# 2026:20 Unique 2.91, 2.94 A)
&rst
ixpk= 2026, nxpk= 20, iat=1701,1703, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 75 VAL MGX 75 VAL HB 2.80 (# 2027:20 Unique 2.41, 2.68 A)
&rst
ixpk= 2027, nxpk= 20, iat= -1,1154, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1156,1157,1158,1160,1161,1162,
&end
#
# 75 VAL HN 75 VAL HB 2.80 (# 2028:20 Unique 2.50, 2.54 A)
&rst
ixpk= 2028, nxpk= 20, iat=1150,1154, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 48 ALA HN 47 VAL HB 2.80 (# 2029:20 Unique 2.39, 2.45 A)
&rst
ixpk= 2029, nxpk= 20, iat= 743, 731, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 47 VAL MGY 47 VAL HB 2.80 (# 2030:20 Unique 2.44, 2.67 A)
&rst
ixpk= 2030, nxpk= 20, iat= -1, 731, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 733, 734, 735, 737, 738, 739,
&end
#
# 47 VAL HN 47 VAL HB 2.80 (# 2031:20 Unique 2.31, 2.40 A)
&rst
ixpk= 2031, nxpk= 20, iat= 727, 731, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 47 VAL MGX 47 VAL HB 2.80 (# 2032:20 Unique 2.44, 2.67 A)
&rst
ixpk= 2032, nxpk= 20, iat= -1, 731, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 733, 734, 735, 737, 738, 739,
&end
#
# 93 ARG HN 93 ARG HB- 3.50 (# 2033:20 Unique 2.16, 3.18 A)
&rst
ixpk= 2033, nxpk= 20, iat=1415, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1419,1420,
&end
#
# 93 ARG HD- 93 ARG HB+ 5.50 (# 2035:20 Unique 2.41, 3.22 A)
&rst
ixpk= 2035, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1425,1426,
igr2=1419,1420,
&end
#
# 93 ARG HD+ 93 ARG HB+ 5.50 (# 2036:20 Unique 2.41, 3.22 A)
&rst
ixpk= 2036, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1425,1426,
igr2=1419,1420,
&end
#
# 23 TYR HA 26 VAL HB 4.50 (# 2038:20 Unique 2.52, 2.68 A)
&rst
ixpk= 2038, nxpk= 20, iat= 335, 378, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 VAL MGX 26 VAL HB 2.80 (# 2039:20 Unique 2.36, 2.66 A)
&rst
ixpk= 2039, nxpk= 20, iat= -1, 378, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 20-2:2040 26 VAL HB 2.80 (# 2040:20 Single Ambig)
&rst
ixpk= 2040, nxpk= 20, iat= -1, 378, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 380, 381, 382, 384, 385, 386, 400, 401,
&end
#
# 71 THR MG2 26 VAL HB 4.50 (# 2041:20 Unique 2.36, 3.34 A)
&rst
ixpk= 2041, nxpk= 20, iat= -1, 378, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1106,1107,1108,
&end
#
# 44 PHE HA 47 VAL HB 4.50 (# 2044:20 Unique 3.08, 3.16 A)
&rst
ixpk= 2044, nxpk= 20, iat= 676, 731, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:2045 47 VAL HB 3.50 (# 2045:20 Single Ambig)
&rst
ixpk= 2045, nxpk= 20, iat= -1, 731, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 729,1266,
&end
#
# 83 LYS HG- 47 VAL HB 4.50 (# 2046:20 Unique 2.56, 3.93 A)
&rst
ixpk= 2046, nxpk= 20, iat= -1, 731, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1271,1272,
&end
#
# 93 ARG HA 93 ARG HB- 3.50 (# 2047:20 Unique 2.28, 2.70 A)
&rst
ixpk= 2047, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1419,1420,
&end
#
# 94 THR HN 93 ARG HB- 3.50 (# 2049:20 Unique 2.10, 3.28 A)
&rst
ixpk= 2049, nxpk= 20, iat=1439, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1419,1420,
&end
#
# 93 ARG HD- 93 ARG HB- 5.50 (# 2050:20 Unique 2.41, 3.22 A)
&rst
ixpk= 2050, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1425,1426,
igr2=1419,1420,
&end
#
# 93 ARG HD+ 93 ARG HB- 5.50 (# 2051:20 Unique 2.41, 3.22 A)
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1425,1426,
igr2=1419,1420,
&end
#
# 94 THR HN 93 ARG HB+ 3.50 (# 2052:20 Unique 2.10, 3.28 A)
&rst
ixpk= 2052, nxpk= 20, iat=1439, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1419,1420,
&end
#
# 0 AMB 20-2:2054 0 AMB 20-1:2054 2.80 (# 2054:20 Double Ambig)
&rst
ixpk= 2054, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1422,1423,1422,1423,
igr2=1419,1420,1419,1420,
&end
#
# 93 ARG HN 93 ARG HB+ 3.50 (# 2055:20 Unique 2.16, 3.18 A)
&rst
ixpk= 2055, nxpk= 20, iat=1415, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1419,1420,
&end
#
# 93 ARG HA 93 ARG HB+ 3.50 (# 2056:20 Unique 2.28, 2.70 A)
&rst
ixpk= 2056, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1419,1420,
&end
#
# 79 CYS HN 78 MET HB- 5.50 (# 2059:20 Unique 2.69, 3.40 A)
&rst
ixpk= 2059, nxpk= 20, iat=1214, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1201,1202,
&end
#
# 0 AMB 20-2:2061 78 MET HB- 2.80 (# 2061:20 Single Ambig)
&rst
ixpk= 2061, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1127,1128,1129,1156,1157,1158,1160,1161,1162,
igr2=1201,1202,
&end
#
# 0 AMB 20-2:2062 78 MET HB- 4.50 (# 2062:20 Single Ambig)
&rst
ixpk= 2062, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
igr2=1201,1202,
&end
#
# 78 MET HN 78 MET HB- 3.50 (# 2063:20 Unique 2.31, 2.53 A)
&rst
ixpk= 2063, nxpk= 20, iat=1197, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1201,1202,
&end
#
# 108 PHE HN 107 PRO HB- 4.50 (# 2064:20 Unique 2.39, 3.17 A)
&rst
ixpk= 2064, nxpk= 20, iat=1651, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1644,1645,
&end
#
# 0 AMB 20-2:2068 0 AMB 20-1:2068 5.50 (# 2068:20 Double Ambig)
&rst
ixpk= 2068, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
igr2=1201,1202,1201,1202,
&end
#
# 78 MET HA 78 MET HB+ 4.50 (# 2069:20 Unique 2.49, 2.79 A)
&rst
ixpk= 2069, nxpk= 20, iat=1199, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1201,1202,
&end
#
# 75 VAL HA 78 MET HB+ 5.50 (# 2071:20 Unique 2.57, 2.94 A)
&rst
ixpk= 2071, nxpk= 20, iat=1152, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1201,1202,
&end
#
# 78 MET HN 78 MET HB+ 3.50 (# 2073:20 Unique 2.31, 2.53 A)
&rst
ixpk= 2073, nxpk= 20, iat=1197, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1201,1202,
&end
#
# 0 AMB 20-2:2074 0 AMB 20-1:2074 3.50 (# 2074:20 Double Ambig)
&rst
ixpk= 2074, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1127,1128,1129,1156,1157,1158,1160,1161,1162,
igr2=1201,1202,1201,1202,
&end
#
# 0 AMB 20-2:2075 0 AMB 20-1:2075 5.50 (# 2075:20 Double Ambig)
&rst
ixpk= 2075, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
igr2=1201,1202,1201,1202,
&end
#
# 106 THR HB 107 PRO HB+ 5.50 (# 2076:20 Unique 4.49, 5.18 A)
&rst
ixpk= 2076, nxpk= 20, iat=1627, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1644,1645,
&end
#
# 107 PRO HG+ 107 PRO HB+ 2.80 (# 2077:20 Unique 2.34, 2.62 A)
&rst
ixpk= 2077, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1641,1642,
igr2=1644,1645,
&end
#
# 107 PRO HG- 107 PRO HB+ 2.80 (# 2079:20 Unique 2.34, 2.62 A)
&rst
ixpk= 2079, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1641,1642,
igr2=1644,1645,
&end
#
# 0 AMB 20-2:2080 0 AMB 20-1:2080 2.80 (# 2080:20 Double Ambig)
&rst
ixpk= 2080, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 990, 991, 992,1012,1013,1014,1016,1017,1018,
igr2=1644,1645,1644,1645,
&end
#
# 107 PRO HA 107 PRO HB+ 3.50 (# 2081:20 Unique 2.36, 2.70 A)
&rst
ixpk= 2081, nxpk= 20, iat=1647, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1644,1645,
&end
#
# 107 PRO HD- 107 PRO HB+ 3.50 (# 2082:20 Unique 2.90, 3.72 A)
&rst
ixpk= 2082, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1638,1639,
igr2=1644,1645,
&end
#
# 58 GLN HE2- 61 VAL HB 5.50 (# 2084:20 Unique 2.73, 3.38 A)
&rst
ixpk= 2084, nxpk= 20, iat= -1, 960, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 922, 923,
&end
#
# 62 ASP HN 61 VAL HB 2.80 (# 2085:20 Unique 2.54, 2.58 A)
&rst
ixpk= 2085, nxpk= 20, iat= 972, 960, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 61 VAL HN 61 VAL HB 2.80 (# 2086:20 Unique 2.21, 2.23 A)
&rst
ixpk= 2086, nxpk= 20, iat= 956, 960, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 58 GLN HA 61 VAL HB 2.80 (# 2087:20 Unique 2.10, 2.19 A)
&rst
ixpk= 2087, nxpk= 20, iat= 912, 960, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 61 VAL HA 61 VAL HB 3.50 (# 2088:20 Unique 3.02, 3.02 A)
&rst
ixpk= 2088, nxpk= 20, iat= 958, 960, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:2089 61 VAL HB 2.80 (# 2089:20 Single Ambig)
&rst
ixpk= 2089, nxpk= 20, iat= -1, 960, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 27 ILE HN 27 ILE HG1+ 3.50 (# 2090:20 Unique 2.30, 3.17 A)
&rst
ixpk= 2090, nxpk= 20, iat= 390, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 400, 401,
&end
#
# 27 ILE HA 27 ILE HG1+ 3.50 (# 2091:20 Unique 2.36, 2.52 A)
&rst
ixpk= 2091, nxpk= 20, iat= 392, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 400, 401,
&end
#
# 27 ILE QD1 27 ILE HG1+ 2.80 (# 2093:20 Unique 2.38, 2.65 A)
&rst
ixpk= 2093, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 403, 404, 405,
igr2= 400, 401,
&end
#
# 78 MET HG- 78 MET HB+ 3.50 (# 2095:20 Unique 2.28, 2.61 A)
&rst
ixpk= 2095, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1204,1205,
igr2=1201,1202,
&end
#
# 79 CYS HN 78 MET HB+ 5.50 (# 2096:20 Unique 2.69, 3.40 A)
&rst
ixpk= 2096, nxpk= 20, iat=1214, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1201,1202,
&end
#
# 78 MET HG- 78 MET HB+ 2.80 (# 2097:20 Unique 2.28, 2.61 A)
&rst
ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1204,1205,
igr2=1201,1202,
&end
#
# 108 PHE HN 107 PRO HB+ 5.50 (# 2098:20 Unique 2.39, 3.17 A)
&rst
ixpk= 2098, nxpk= 20, iat=1651, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1644,1645,
&end
#
# 27 ILE HN 27 ILE HG1- 4.50 (# 2099:20 Unique 2.30, 3.17 A)
&rst
ixpk= 2099, nxpk= 20, iat= 390, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 400, 401,
&end
#
# 27 ILE HB 27 ILE HG1- 3.50 (# 2100:20 Unique 2.48, 2.80 A)
&rst
ixpk= 2100, nxpk= 20, iat= 394, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 400, 401,
&end
#
# 71 THR MG2 27 ILE HG1- 3.50 (# 2102:20 Unique 2.45, 3.25 A)
&rst
ixpk= 2102, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1106,1107,1108,
igr2= 400, 401,
&end
#
# 27 ILE QD1 27 ILE HG1- 2.80 (# 2103:20 Unique 2.38, 2.65 A)
&rst
ixpk= 2103, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 403, 404, 405,
igr2= 400, 401,
&end
#
# 27 ILE HA 27 ILE HG1- 3.50 (# 2104:20 Unique 2.36, 2.52 A)
&rst
ixpk= 2104, nxpk= 20, iat= 392, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 400, 401,
&end
#
# 0 AMB 20-2:2105 61 VAL HB 5.50 (# 2105:20 Single Ambig)
&rst
ixpk= 2105, nxpk= 20, iat= -1, 960, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 974, 929,
&end
#
# 0 AMB 20-2:2108 54 GLU HB- 3.50 (# 2108:20 Single Ambig)
&rst
ixpk= 2108, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 181, 155,
igr2= 852, 853,
&end
#
# 55 PRO HD+ 54 GLU HB- 4.50 (# 2109:20 Unique 2.32, 3.81 A)
&rst
ixpk= 2109, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 864, 865,
igr2= 852, 853,
&end
#
# 15 THR HN 54 GLU HB- 2.80 (# 2110:20 Unique 2.71, 3.73 A)
&rst
ixpk= 2110, nxpk= 20, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 852, 853,
&end
#
# 54 GLU HA 54 GLU HB- 2.80 (# 2111:20 Unique 2.45, 2.77 A)
&rst
ixpk= 2111, nxpk= 20, iat= 850, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 852, 853,
&end
#
# 54 GLU HG- 54 GLU HB- 2.80 (# 2112:20 Unique 2.37, 2.75 A)
&rst
ixpk= 2112, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 855, 856,
igr2= 852, 853,
&end
#
# 54 GLU HN 54 GLU HB- 3.50 (# 2113:20 Unique 2.36, 3.00 A)
&rst
ixpk= 2113, nxpk= 20, iat= 848, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 852, 853,
&end
#
# 60 HIS HE1 54 GLU HB- 5.50 (# 2114:20 Unique 3.89, 4.52 A)
&rst
ixpk= 2114, nxpk= 20, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 852, 853,
&end
#
# 53 TYR HA 54 GLU HB+ 5.50 (# 2115:20 Unique 4.65, 5.26 A)
&rst
ixpk= 2115, nxpk= 20, iat= 829, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 852, 853,
&end
#
# 54 GLU HA 54 GLU HB+ 2.80 (# 2116:20 Unique 2.45, 2.77 A)
&rst
ixpk= 2116, nxpk= 20, iat= 850, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 852, 853,
&end
#
# 15 THR HB 54 GLU HB+ 4.50 (# 2117:20 Unique 3.25, 4.06 A)
&rst
ixpk= 2117, nxpk= 20, iat= 202, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 852, 853,
&end
#
# 0 AMB 20-2:2118 2 ARG HB- 4.50 (# 2118:20 Single Ambig)
&rst
ixpk= 2118, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 18, 73,
igr2= 20, 21,
&end
#
# 0 AMB 20-2:2120 2 ARG HB- 2.80 (# 2120:20 Single Ambig)
&rst
ixpk= 2120, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 23, 24, 23, 24,
igr2= 20, 21,
&end
#
# 0 AMB 20-2:2121 0 AMB 20-1:2121 4.50 (# 2121:20 Double Ambig)
&rst
ixpk= 2121, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 18, 73,
igr2= 20, 21, 20, 21,
&end
#
# 2 ARG HD- 2 ARG HB+ 5.50 (# 2122:20 Unique 2.31, 3.25 A)
&rst
ixpk= 2122, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 26, 27,
igr2= 20, 21,
&end
#
# 0 AMB 20-2:2124 0 AMB 20-1:2124 2.80 (# 2124:20 Double Ambig)
&rst
ixpk= 2124, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 23, 24, 23, 24,
igr2= 20, 21, 20, 21,
&end
#
# 83 LYS HB- 0 AMB 20-1:2131 2.80 (# 2131:20 Single Ambig)
&rst
ixpk= 2131, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1268,1269,
igr2=1274,1275,1274,1275,
&end
#
# 0 AMB 20-2:2133 0 AMB 20-1:2133 2.80 (# 2133:20 Double Ambig)
&rst
ixpk= 2133, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1268,1269,1268,1269,
igr2=1274,1275,1274,1275,
&end
#
# 104 GLU HA 104 GLU HB- 2.80 (# 2134:20 Unique 2.44, 2.77 A)
&rst
ixpk= 2134, nxpk= 20, iat=1590, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1592,1593,
&end
#
# 104 GLU HN 104 GLU HB- 3.50 (# 2136:20 Unique 2.15, 3.01 A)
&rst
ixpk= 2136, nxpk= 20, iat=1588, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1592,1593,
&end
#
# 104 GLU HN 104 GLU HB+ 3.50 (# 2137:20 Unique 2.15, 3.01 A)
&rst
ixpk= 2137, nxpk= 20, iat=1588, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1592,1593,
&end
#
# 104 GLU HA 104 GLU HB+ 2.80 (# 2138:20 Unique 2.44, 2.77 A)
&rst
ixpk= 2138, nxpk= 20, iat=1590, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1592,1593,
&end
#
# 88 ASN HN 87 GLN HB- 3.50 (# 2140:20 Unique 2.66, 3.40 A)
&rst
ixpk= 2140, nxpk= 20, iat=1356, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1343,1344,
&end
#
# 87 GLN HN 87 GLN HB- 2.80 (# 2141:20 Unique 2.33, 3.00 A)
&rst
ixpk= 2141, nxpk= 20, iat=1339, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1343,1344,
&end
#
# 0 AMB 20-2:2142 87 GLN HB- 2.80 (# 2142:20 Single Ambig)
&rst
ixpk= 2142, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1288,1341,
igr2=1343,1344,
&end
#
# 87 GLN HG- 87 GLN HB- 2.80 (# 2143:20 Unique 2.36, 2.76 A)
&rst
ixpk= 2143, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1346,1347,
igr2=1343,1344,
&end
#
# 87 GLN HG+ 87 GLN HB- 2.80 (# 2144:20 Unique 2.36, 2.76 A)
&rst
ixpk= 2144, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1346,1347,
igr2=1343,1344,
&end
#
# 0 AMB 20-2:2145 87 GLN HB- 5.50 (# 2145:20 Single Ambig)
&rst
ixpk= 2145, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1351,1352,1365,1366,
igr2=1343,1344,
&end
#
# 88 ASN HD2+ 87 GLN HB- 5.50 (# 2146:20 Unique 2.57, 4.62 A)
&rst
ixpk= 2146, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1365,1366,
igr2=1343,1344,
&end
#
# 112 ARG HD- 112 ARG HB- 2.80 (# 2147:20 Unique 2.35, 3.22 A)
&rst
ixpk= 2147, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1725,1726,
igr2=1719,1720,
&end
#
# 39 THR HB 0 AMB 20-1:2148 5.50 (# 2148:20 Single Ambig)
&rst
ixpk= 2148, nxpk= 20, iat= 605, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1274,1275,1274,1275,
&end
#
# 83 LYS HN 0 AMB 20-1:2149 5.50 (# 2149:20 Single Ambig)
&rst
ixpk= 2149, nxpk= 20, iat=1264, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1274,1275,1274,1275,
&end
#
# 44 PHE HD 0 AMB 20-1:2150 5.50 (# 2150:20 Single Ambig)
&rst
ixpk= 2150, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 682, 690,
igr2=1274,1275,1274,1275,
&end
#
# 0 AMB 20-2:2151 0 AMB 20-1:2151 5.50 (# 2151:20 Double Ambig)
&rst
ixpk= 2151, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1266, 729,
igr2=1274,1275,1274,1275,1274,1275,
&end
#
# 83 LYS HE- 0 AMB 20-1:2152 2.80 (# 2152:20 Single Ambig)
&rst
ixpk= 2152, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1277,1278,
igr2=1274,1275,1274,1275,
&end
#
# 39 THR MG2 0 AMB 20-1:2153 5.50 (# 2153:20 Single Ambig)
&rst
ixpk= 2153, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 607, 608, 609,
igr2=1274,1275,1274,1275,
&end
#
# 80 ALA HA 0 AMB 20-1:2154 4.50 (# 2154:20 Single Ambig)
&rst
ixpk= 2154, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1274,1275,1274,1275,
&end
#
# 83 LYS HE- 0 AMB 20-1:2155 3.50 (# 2155:20 Single Ambig)
&rst
ixpk= 2155, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1277,1278,
igr2=1274,1275,1274,1275,
&end
#
# 83 LYS HG- 0 AMB 20-1:2156 2.80 (# 2156:20 Single Ambig)
&rst
ixpk= 2156, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1271,1272,
igr2=1274,1275,1274,1275,
&end
#
# 47 VAL MGX 0 AMB 20-1:2157 3.50 (# 2157:20 Single Ambig)
&rst
ixpk= 2157, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1274,1275,1274,1275,
&end
#
# 87 GLN HE2+ 87 GLN HB- 5.50 (# 2159:20 Unique 2.17, 3.58 A)
&rst
ixpk= 2159, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1351,1352,
igr2=1343,1344,
&end
#
# 0 AMB 20-2:2160 0 AMB 20-1:2160 5.50 (# 2160:20 Double Ambig)
&rst
ixpk= 2160, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 976, 977,1360,1361,
igr2= 994, 995,1343,1344,
&end
#
# 113 GLN HN 112 ARG HB- 3.50 (# 2161:20 Unique 2.53, 3.38 A)
&rst
ixpk= 2161, nxpk= 20, iat=1739, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1719,1720,
&end
#
# 109 ASP HA 112 ARG HB- 4.50 (# 2162:20 Unique 2.22, 3.15 A)
&rst
ixpk= 2162, nxpk= 20, iat=1673, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1719,1720,
&end
#
# 112 ARG HN 112 ARG HB- 2.80 (# 2163:20 Unique 2.34, 2.64 A)
&rst
ixpk= 2163, nxpk= 20, iat=1715, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1719,1720,
&end
#
# 109 ASP HA 112 ARG HB- 5.50 (# 2164:20 Unique 2.22, 3.15 A)
&rst
ixpk= 2164, nxpk= 20, iat=1673, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1719,1720,
&end
#
# 112 ARG HA 112 ARG HB- 2.80 (# 2165:20 Unique 2.42, 2.79 A)
&rst
ixpk= 2165, nxpk= 20, iat=1717, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1719,1720,
&end
#
# 63 ILE HN 63 ILE HG1- 3.50 (# 2166:20 Unique 2.14, 2.90 A)
&rst
ixpk= 2166, nxpk= 20, iat= 984, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 994, 995,
&end
#
# 102 GLU HA 102 GLU HB- 3.50 (# 2168:20 Unique 2.33, 2.74 A)
&rst
ixpk= 2168, nxpk= 20, iat=1563, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1565,1566,
&end
#
# 0 AMB 20-2:2169 102 GLU HB- 2.80 (# 2169:20 Single Ambig)
&rst
ixpk= 2169, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1568,1569,1568,1569,
igr2=1565,1566,
&end
#
# 21 TRP HH2 102 GLU HB- 5.50 (# 2172:20 Unique 5.28, 6.23 A)
&rst
ixpk= 2172, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1565,1566,
&end
#
# 104 GLU HN 102 GLU HB- 5.50 (# 2173:20 Unique 2.69, 3.47 A)
&rst
ixpk= 2173, nxpk= 20, iat=1588, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1565,1566,
&end
#
# 102 GLU HA 102 GLU HB+ 4.50 (# 2175:20 Unique 2.33, 2.74 A)
&rst
ixpk= 2175, nxpk= 20, iat=1563, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1565,1566,
&end
#
# 0 AMB 20-2:2176 0 AMB 20-1:2176 2.80 (# 2176:20 Double Ambig)
&rst
ixpk= 2176, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1568,1569,1568,1569,
igr2=1565,1566,1565,1566,
&end
#
# 63 ILE HN 63 ILE HG1+ 2.80 (# 2180:20 Unique 2.14, 2.90 A)
&rst
ixpk= 2180, nxpk= 20, iat= 984, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 994, 995,
&end
#
# 63 ILE HA 63 ILE HG1+ 2.80 (# 2182:20 Unique 2.75, 2.84 A)
&rst
ixpk= 2182, nxpk= 20, iat= 986, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 994, 995,
&end
#
# 0 AMB 20-2:2184 0 AMB 20-1:2184 2.80 (# 2184:20 Double Ambig)
&rst
ixpk= 2184, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 990, 991, 992, 997, 998, 999,
igr2= 994, 995, 994, 995,
&end
#
# 63 ILE HA 63 ILE HG1- 2.80 (# 2185:20 Unique 2.75, 2.84 A)
&rst
ixpk= 2185, nxpk= 20, iat= 986, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 994, 995,
&end
#
# 0 AMB 20-2:2187 63 ILE HG1- 2.80 (# 2187:20 Single Ambig)
&rst
ixpk= 2187, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 990, 991, 992, 997, 998, 999,
igr2= 994, 995,
&end
#
# 103 ASP HN 102 GLU HB- 5.50 (# 2189:20 Unique 2.49, 3.29 A)
&rst
ixpk= 2189, nxpk= 20, iat=1576, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1565,1566,
&end
#
# 113 GLN HN 113 GLN HB- 2.80 (# 2193:20 Unique 2.33, 3.03 A)
&rst
ixpk= 2193, nxpk= 20, iat=1739, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1743,1744,
&end
#
# 110 VAL HA 113 GLN HB- 3.50 (# 2194:20 Unique 2.40, 3.38 A)
&rst
ixpk= 2194, nxpk= 20, iat=1685, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1743,1744,
&end
#
# 113 GLN HG- 113 GLN HB- 2.80 (# 2195:20 Unique 2.34, 2.74 A)
&rst
ixpk= 2195, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1746,1747,
igr2=1743,1744,
&end
#
# 114 CYS HA 113 GLN HB- 5.50 (# 2196:20 Unique 3.99, 4.50 A)
&rst
ixpk= 2196, nxpk= 20, iat=1758, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1743,1744,
&end
#
# 6 GLN HA 6 GLN HB- 2.80 (# 2199:20 Unique 2.36, 2.70 A)
&rst
ixpk= 2199, nxpk= 20, iat= 83, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 85, 86,
&end
#
# 3 GLN HA 3 GLN HB+ 3.50 (# 2201:20 Unique 2.39, 2.76 A)
&rst
ixpk= 2201, nxpk= 20, iat= 42, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 44, 45,
&end
#
# 6 GLN HA 6 GLN HB+ 2.80 (# 2203:20 Unique 2.36, 2.70 A)
&rst
ixpk= 2203, nxpk= 20, iat= 83, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 85, 86,
&end
#
# 50 LYS HE- 50 LYS HD+ 2.80 (# 2204:20 Unique 2.33, 2.71 A)
&rst
ixpk= 2204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 783, 784,
igr2= 780, 781,
&end
#
# 51 TYR HE 50 LYS HD+ 5.50 (# 2205:20 Unique 3.44, 5.43 A)
&rst
ixpk= 2205, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 802, 807,
igr2= 780, 781,
&end
#
# 84 GLU HN 84 GLU HB- 3.50 (# 2206:20 Unique 2.22, 3.04 A)
&rst
ixpk= 2206, nxpk= 20, iat=1286, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1290,1291,
&end
#
# 84 GLU HA 84 GLU HB- 2.80 (# 2207:20 Unique 2.44, 2.78 A)
&rst
ixpk= 2207, nxpk= 20, iat=1288, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1290,1291,
&end
#
# 84 GLU HG+ 84 GLU HB- 2.80 (# 2208:20 Unique 2.35, 2.64 A)
&rst
ixpk= 2208, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1293,1294,
igr2=1290,1291,
&end
#
# 113 GLN HA 113 GLN HB- 2.80 (# 2210:20 Unique 2.50, 2.80 A)
&rst
ixpk= 2210, nxpk= 20, iat=1741, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1743,1744,
&end
#
# 3 GLN HA 3 GLN HB- 3.50 (# 2212:20 Unique 2.39, 2.76 A)
&rst
ixpk= 2212, nxpk= 20, iat= 42, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 44, 45,
&end
#
# 84 GLU HN 84 GLU HB+ 2.80 (# 2213:20 Unique 2.22, 3.04 A)
&rst
ixpk= 2213, nxpk= 20, iat=1286, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1290,1291,
&end
#
# 35 ASN HD2- 84 GLU HB+ 5.50 (# 2214:20 Unique 3.15, 4.85 A)
&rst
ixpk= 2214, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 538, 539,
igr2=1290,1291,
&end
#
# 84 GLU HA 84 GLU HB+ 2.80 (# 2215:20 Unique 2.44, 2.78 A)
&rst
ixpk= 2215, nxpk= 20, iat=1288, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1290,1291,
&end
#
# 0 AMB 20-2:2216 0 AMB 20-1:2216 2.80 (# 2216:20 Double Ambig)
&rst
ixpk= 2216, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1365,1366,1301,
igr2=1290,1291,1290,1291,
&end
#
# 0 AMB 20-2:2220 0 AMB 20-1:2220 5.50 (# 2220:20 Double Ambig)
&rst
ixpk= 2220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 770, 792,
igr2= 780, 781, 780, 781,
&end
#
# 50 LYS HG+ 50 LYS HD+ 2.80 (# 2221:20 Unique 2.39, 2.71 A)
&rst
ixpk= 2221, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 777, 778,
igr2= 780, 781,
&end
#
# 50 LYS HA 50 LYS HD+ 5.50 (# 2222:20 Unique 2.19, 4.38 A)
&rst
ixpk= 2222, nxpk= 20, iat= 772, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 780, 781,
&end
#
# 50 LYS HG- 50 LYS HD+ 2.80 (# 2223:20 Unique 2.39, 2.71 A)
&rst
ixpk= 2223, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 777, 778,
igr2= 780, 781,
&end
#
# 32 TRP HE1 95 ILE HG1+ 5.50 (# 2224:20 Unique 2.11, 2.71 A)
&rst
ixpk= 2224, nxpk= 20, iat= 476, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1463,1464,
&end
#
# 71 THR HN 70 GLN HB- 5.50 (# 2226:20 Unique 2.63, 3.13 A)
&rst
ixpk= 2226, nxpk= 20, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1087,1088,
&end
#
# 70 GLN HA 70 GLN HB- 2.80 (# 2227:20 Unique 2.59, 2.82 A)
&rst
ixpk= 2227, nxpk= 20, iat=1085, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1087,1088,
&end
#
# 71 THR MG2 70 GLN HB- 4.50 (# 2229:20 Unique 3.00, 4.35 A)
&rst
ixpk= 2229, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1106,1107,1108,
igr2=1087,1088,
&end
#
# 70 GLN HN 70 GLN HB- 2.80 (# 2230:20 Unique 2.29, 2.95 A)
&rst
ixpk= 2230, nxpk= 20, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1087,1088,
&end
#
# 67 LEU HA 70 GLN HB- 4.50 (# 2231:20 Unique 2.31, 3.45 A)
&rst
ixpk= 2231, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1087,1088,
&end
#
# 70 GLN HG- 70 GLN HB- 2.80 (# 2232:20 Unique 2.36, 2.77 A)
&rst
ixpk= 2232, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1090,1091,
igr2=1087,1088,
&end
#
# 70 GLN HN 70 GLN HB+ 2.80 (# 2233:20 Unique 2.29, 2.95 A)
&rst
ixpk= 2233, nxpk= 20, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1087,1088,
&end
#
# 71 THR HN 70 GLN HB+ 3.50 (# 2234:20 Unique 2.63, 3.13 A)
&rst
ixpk= 2234, nxpk= 20, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1087,1088,
&end
#
# 70 GLN HA 70 GLN HB+ 2.80 (# 2235:20 Unique 2.59, 2.82 A)
&rst
ixpk= 2235, nxpk= 20, iat=1085, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1087,1088,
&end
#
# 71 THR MG2 70 GLN HB+ 4.50 (# 2237:20 Unique 3.00, 4.35 A)
&rst
ixpk= 2237, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1106,1107,1108,
igr2=1087,1088,
&end
#
# 0 AMB 20-2:2238 0 AMB 20-1:2238 4.50 (# 2238:20 Double Ambig)
&rst
ixpk= 2238, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 403, 404, 405,1052,1053,1054,1056,1057,1058,
igr2=1087,1088,1087,1088,
&end
#
# 32 TRP HE1 95 ILE HG1- 5.50 (# 2239:20 Unique 2.11, 2.71 A)
&rst
ixpk= 2239, nxpk= 20, iat= 476, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1463,1464,
&end
#
# 95 ILE HA 95 ILE HG1- 4.50 (# 2240:20 Unique 2.41, 2.75 A)
&rst
ixpk= 2240, nxpk= 20, iat=1455, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1463,1464,
&end
#
# 32 TRP HZ2 95 ILE HG1- 3.50 (# 2241:20 Unique 2.37, 2.90 A)
&rst
ixpk= 2241, nxpk= 20, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1463,1464,
&end
#
# 95 ILE QD1 95 ILE HG1- 3.50 (# 2243:20 Unique 2.35, 2.65 A)
&rst
ixpk= 2243, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1466,1467,1468,
igr2=1463,1464,
&end
#
# 95 ILE QG2 95 ILE HG1- 5.50 (# 2244:20 Unique 2.44, 3.55 A)
&rst
ixpk= 2244, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1459,1460,1461,
igr2=1463,1464,
&end
#
# 36 ARG HA 36 ARG HB- 2.80 (# 2245:20 Unique 2.45, 2.86 A)
&rst
ixpk= 2245, nxpk= 20, iat= 545, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 547, 548,
&end
#
# 36 ARG HD- 36 ARG HB- 3.50 (# 2246:20 Unique 2.52, 3.36 A)
&rst
ixpk= 2246, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 553, 554,
igr2= 547, 548,
&end
#
# 36 ARG HG- 36 ARG HB- 2.80 (# 2247:20 Unique 2.23, 2.60 A)
&rst
ixpk= 2247, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 550, 551,
igr2= 547, 548,
&end
#
# 35 ASN HA 36 ARG HB+ 5.50 (# 2248:20 Unique 3.76, 4.51 A)
&rst
ixpk= 2248, nxpk= 20, iat= 531, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 547, 548,
&end
#
# 36 ARG HD- 36 ARG HB+ 3.50 (# 2249:20 Unique 2.52, 3.36 A)
&rst
ixpk= 2249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 553, 554,
igr2= 547, 548,
&end
#
# 36 ARG HA 36 ARG HB+ 3.50 (# 2252:20 Unique 2.45, 2.86 A)
&rst
ixpk= 2252, nxpk= 20, iat= 545, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 547, 548,
&end
#
# 95 ILE HB 95 ILE HG1+ 4.50 (# 2253:20 Unique 2.45, 2.77 A)
&rst
ixpk= 2253, nxpk= 20, iat=1457, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1463,1464,
&end
#
# 95 ILE QD1 95 ILE HG1+ 2.80 (# 2254:20 Unique 2.35, 2.65 A)
&rst
ixpk= 2254, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1466,1467,1468,
igr2=1463,1464,
&end
#
# 32 TRP HZ2 95 ILE HG1+ 4.50 (# 2255:20 Unique 2.37, 2.90 A)
&rst
ixpk= 2255, nxpk= 20, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1463,1464,
&end
#
# 95 ILE HA 95 ILE HG1+ 4.50 (# 2256:20 Unique 2.41, 2.75 A)
&rst
ixpk= 2256, nxpk= 20, iat=1455, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1463,1464,
&end
#
# 95 ILE QG2 95 ILE HG1+ 4.50 (# 2258:20 Unique 2.44, 3.55 A)
&rst
ixpk= 2258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1459,1460,1461,
igr2=1463,1464,
&end
#
# 0 AMB 20-2:2259 0 AMB 20-1:2259 5.50 (# 2259:20 Double Ambig)
&rst
ixpk= 2259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1=1384,1385,1388,1389,1390,
igr2=1463,1464,1463,1464,
&end
#
# 0 AMB 20-2:2260 0 AMB 20-1:2260 5.50 (# 2260:20 Double Ambig)
&rst
ixpk= 2260, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1= 358, 359, 360, 318, 319,
igr2= 294, 295, 294, 295,
&end
#
# 0 AMB 20-2:2262 70 GLN HB- 5.50 (# 2262:20 Single Ambig)
&rst
ixpk= 2262, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 403, 404, 405,1052,1053,1054,1056,1057,1058,
igr2=1087,1088,
&end
#
# 67 LEU HA 70 GLN HB+ 2.80 (# 2263:20 Unique 2.31, 3.45 A)
&rst
ixpk= 2263, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1087,1088,
&end
#
# 18 VAL HA 21 TRP HB- 5.50 (# 2266:20 Unique 2.33, 3.04 A)
&rst
ixpk= 2266, nxpk= 20, iat= 247, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 294, 295,
&end
#
# 22 LEU HN 21 TRP HB- 5.50 (# 2267:20 Unique 2.87, 3.55 A)
&rst
ixpk= 2267, nxpk= 20, iat= 314, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 294, 295,
&end
#
# 21 TRP HN 21 TRP HB- 3.50 (# 2268:20 Unique 2.23, 2.46 A)
&rst
ixpk= 2268, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 294, 295,
&end
#
# 21 TRP HE3 21 TRP HB- 4.50 (# 2269:20 Unique 2.40, 3.23 A)
&rst
ixpk= 2269, nxpk= 20, iat= 309, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 294, 295,
&end
#
# 21 TRP HA 21 TRP HB- 3.50 (# 2270:20 Unique 2.34, 2.69 A)
&rst
ixpk= 2270, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 294, 295,
&end
#
# 21 TRP HN 21 TRP HB+ 3.50 (# 2272:20 Unique 2.23, 2.46 A)
&rst
ixpk= 2272, nxpk= 20, iat= 290, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 294, 295,
&end
#
# 21 TRP HE3 21 TRP HB+ 5.50 (# 2274:20 Unique 2.40, 3.23 A)
&rst
ixpk= 2274, nxpk= 20, iat= 309, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 294, 295,
&end
#
# 32 TRP HD1 32 TRP HB- 5.50 (# 2275:20 Unique 2.59, 3.20 A)
&rst
ixpk= 2275, nxpk= 20, iat= 474, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 470, 471,
&end
#
# 32 TRP HA 32 TRP HB- 2.80 (# 2276:20 Unique 2.33, 2.43 A)
&rst
ixpk= 2276, nxpk= 20, iat= 468, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 470, 471,
&end
#
# 0 AMB 20-2:2277 32 TRP HB- 3.50 (# 2277:20 Single Ambig)
&rst
ixpk= 2277, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 466, 485,
igr2= 470, 471,
&end
#
# 32 TRP HD1 32 TRP HB+ 4.50 (# 2280:20 Unique 2.59, 3.20 A)
&rst
ixpk= 2280, nxpk= 20, iat= 474, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 470, 471,
&end
#
# 32 TRP HA 32 TRP HB+ 2.80 (# 2281:20 Unique 2.33, 2.43 A)
&rst
ixpk= 2281, nxpk= 20, iat= 468, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 470, 471,
&end
#
# 0 AMB 20-2:2285 0 AMB 20-1:2285 3.50 (# 2285:20 Double Ambig)
&rst
ixpk= 2285, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 466, 485,
igr2= 470, 471, 470, 471,
&end
#
# 107 PRO HD- 107 PRO HG+ 2.80 (# 2287:20 Unique 2.31, 2.60 A)
&rst
ixpk= 2287, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1638,1639,
igr2=1641,1642,
&end
#
# 0 AMB 20-2:2288 0 AMB 20-1:2288 2.80 (# 2288:20 Double Ambig)
&rst
ixpk= 2288, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
igr1= 990, 991, 992, 221, 222, 223, 225, 226, 227,1012,
1013,1014,1016,1017,1018, 219,
igr2=1641,1642,1641,1642,1641,1642,1641,1642,
&end
#
# 20 ALA MB 107 PRO HG+ 2.80 (# 2289:20 Unique 2.14, 3.99 A)
&rst
ixpk= 2289, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 284, 285, 286,
igr2=1641,1642,
&end
#
# 107 PRO HD- 107 PRO HG- 2.80 (# 2290:20 Unique 2.31, 2.60 A)
&rst
ixpk= 2290, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1638,1639,
igr2=1641,1642,
&end
#
# 107 PRO HB- 107 PRO HG- 2.80 (# 2291:20 Unique 2.34, 2.62 A)
&rst
ixpk= 2291, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1644,1645,
igr2=1641,1642,
&end
#
# 0 AMB 20-2:2292 107 PRO HG- 2.80 (# 2292:20 Single Ambig)
&rst
ixpk= 2292, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
igr1= 990, 991, 992, 221, 222, 223, 225, 226, 227,1012,
1013,1014,1016,1017,1018, 219,
igr2=1641,1642,
&end
#
# 0 AMB 20-2:2293 107 PRO HG- 4.50 (# 2293:20 Single Ambig)
&rst
ixpk= 2293, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1647, 282,
igr2=1641,1642,
&end
#
# 20 ALA HN 64 LEU MDX 5.50 (# 2294:20 Unique 2.87, 4.60 A)
&rst
ixpk= 2294, nxpk= 20, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 0 AMB 20-2:2295 19 LEU MDX 5.50 (# 2295:20 Single Ambig)
&rst
ixpk= 2295, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 202,1152,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 111 VAL HA 114 CYS HB- 5.50 (# 2297:20 Unique 2.81, 4.54 A)
&rst
ixpk= 2297, nxpk= 20, iat=1701, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1760,1761,
&end
#
# 111 VAL HA 114 CYS HB+ 5.50 (# 2298:20 Unique 2.81, 4.54 A)
&rst
ixpk= 2298, nxpk= 20, iat=1701, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1760,1761,
&end
#
# 66 PRO HD+ 66 PRO HG- 3.50 (# 2301:20 Unique 2.34, 2.61 A)
&rst
ixpk= 2301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1030,1031,
igr2=1033,1034,
&end
#
# 0 AMB 20-2:2302 0 AMB 20-1:2302 2.80 (# 2302:20 Double Ambig)
&rst
ixpk= 2302, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1638,1639,1030,1031,
igr2=1641,1642,1033,1034,
&end
#
# 0 AMB 20-2:2303 64 LEU MDX 5.50 (# 2303:20 Single Ambig)
&rst
ixpk= 2303, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 341, 350, 346,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 23 TYR HE 64 LEU MDX 5.50 (# 2304:20 Unique 2.22, 5.32 A)
&rst
ixpk= 2304, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 343, 348,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 64 LEU HA 64 LEU MDX 3.50 (# 2305:20 Unique 2.25, 3.94 A)
&rst
ixpk= 2305, nxpk= 20, iat=1005, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 61 VAL HA 64 LEU MDX 4.50 (# 2306:20 Unique 2.45, 4.86 A)
&rst
ixpk= 2306, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 0 AMB 20-2:2307 64 LEU MDX 3.50 (# 2307:20 Single Ambig)
&rst
ixpk= 2307, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 265, 266,1204,1205,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 64 LEU HB- 64 LEU MDX 2.80 (# 2308:20 Unique 2.36, 3.32 A)
&rst
ixpk= 2308, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1007,1008,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 0 AMB 20-2:2309 64 LEU MDX 2.80 (# 2309:20 Single Ambig)
&rst
ixpk= 2309, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1641,1642,1010,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 0 AMB 20-2:2310 64 LEU MDX 2.80 (# 2310:20 Single Ambig)
&rst
ixpk= 2310, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1007,1008,1644,1645,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 0 AMB 20-2:2311 64 LEU MDX 2.80 (# 2311:20 Single Ambig)
&rst
ixpk= 2311, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1156,1157,1158,1160,1161,1162, 265, 266,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 0 AMB 20-2:2313 64 LEU MDX 2.80 (# 2313:20 Single Ambig)
&rst
ixpk= 2313, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
igr1=1052,1053,1054,1056,1057,1058, 270, 271, 272, 274,
275, 276, 270, 271, 272, 274, 275, 276,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 16 LEU HA 64 LEU MDX 4.50 (# 2314:20 Unique 3.27, 4.67 A)
&rst
ixpk= 2314, nxpk= 20, iat= 214, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 19 LEU HN 19 LEU MDX 4.50 (# 2315:20 Unique 3.56, 4.40 A)
&rst
ixpk= 2315, nxpk= 20, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 44 PHE HE 19 LEU MDX 5.50 (# 2316:20 Unique 2.60, 4.92 A)
&rst
ixpk= 2316, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 684, 688,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 LEU HA 19 LEU MDX 4.50 (# 2317:20 Unique 2.21, 3.90 A)
&rst
ixpk= 2317, nxpk= 20, iat= 263, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 16 LEU HA 19 LEU MDX 3.50 (# 2318:20 Unique 2.47, 4.99 A)
&rst
ixpk= 2318, nxpk= 20, iat= 214, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 79 CYS HA 19 LEU MDX 5.50 (# 2319:20 Unique 2.38, 3.96 A)
&rst
ixpk= 2319, nxpk= 20, iat=1216, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 20-2:2320 19 LEU MDX 2.80 (# 2320:20 Single Ambig)
&rst
ixpk= 2320, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1204,1205, 265, 266,1201,1202,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 LEU HG 19 LEU MDX 2.80 (# 2321:20 Unique 2.43, 2.66 A)
&rst
ixpk= 2321, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 82 LEU MDY 19 LEU MDX 4.50 (# 2322:20 Unique 3.04, 6.32 A)
&rst
ixpk= 2322, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1254,1255,1256,1258,1259,1260,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 20-2:2323 19 LEU MDX 2.80 (# 2323:20 Single Ambig)
&rst
ixpk= 2323, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 204, 205, 206, 318, 319,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 20-2:2324 19 LEU MDX 2.80 (# 2324:20 Single Ambig)
&rst
ixpk= 2324, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1249,1250, 265, 266,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 64 LEU MDX 19 LEU MDX 2.80 (# 2325:20 Unique 2.52, 5.57 A)
&rst
ixpk= 2325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1012,1013,1014,1016,1017,1018,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 114 CYS HA 114 CYS HB- 2.80 (# 2328:20 Unique 2.30, 2.61 A)
&rst
ixpk= 2328, nxpk= 20, iat=1758, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1760,1761,
&end
#
# 114 CYS HN 114 CYS HB- 4.50 (# 2330:20 Unique 2.28, 3.11 A)
&rst
ixpk= 2330, nxpk= 20, iat=1756, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1760,1761,
&end
#
# 114 CYS HN 114 CYS HB+ 3.50 (# 2337:20 Unique 2.28, 3.11 A)
&rst
ixpk= 2337, nxpk= 20, iat=1756, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1760,1761,
&end
#
# 114 CYS HA 114 CYS HB+ 3.50 (# 2339:20 Unique 2.30, 2.61 A)
&rst
ixpk= 2339, nxpk= 20, iat=1758, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1760,1761,
&end
#
# 66 PRO HD- 66 PRO HG- 2.80 (# 2341:20 Unique 2.34, 2.61 A)
&rst
ixpk= 2341, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1030,1031,
igr2=1033,1034,
&end
#
# 66 PRO HB+ 66 PRO HG- 2.80 (# 2342:20 Unique 2.37, 2.63 A)
&rst
ixpk= 2342, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1036,1037,
igr2=1033,1034,
&end
#
# 0 AMB 20-2:2343 66 PRO HG- 5.50 (# 2343:20 Single Ambig)
&rst
ixpk= 2343, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1005,1024,1025,
igr2=1033,1034,
&end
#
# 67 LEU HN 66 PRO HG+ 5.50 (# 2344:20 Unique 2.54, 4.16 A)
&rst
ixpk= 2344, nxpk= 20, iat=1043, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1033,1034,
&end
#
# 66 PRO HB+ 66 PRO HG+ 2.80 (# 2345:20 Unique 2.37, 2.63 A)
&rst
ixpk= 2345, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1036,1037,
igr2=1033,1034,
&end
#
# 66 PRO HD+ 66 PRO HG+ 3.50 (# 2346:20 Unique 2.34, 2.61 A)
&rst
ixpk= 2346, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1030,1031,
igr2=1033,1034,
&end
#
# 64 LEU HN 64 LEU MDX 4.50 (# 2347:20 Unique 3.36, 4.38 A)
&rst
ixpk= 2347, nxpk= 20, iat=1003, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 0 AMB 20-2:2348 64 LEU MDX 5.50 (# 2348:20 Single Ambig)
&rst
ixpk= 2348, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 282,1647,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 0 AMB 20-2:2349 64 LEU MDX 5.50 (# 2349:20 Single Ambig)
&rst
ixpk= 2349, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1066,1067, 263,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 58 GLN HG- 58 GLN HB- 2.80 (# 2351:20 Unique 2.42, 2.60 A)
&rst
ixpk= 2351, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 917, 918,
igr2= 914, 915,
&end
#
# 0 AMB 20-2:2352 66 PRO HG- 5.50 (# 2352:20 Single Ambig)
&rst
ixpk= 2352, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1005,1024,1025,
igr2=1033,1034,
&end
#
# 59 ASP HN 58 GLN HB+ 4.50 (# 2353:20 Unique 2.92, 3.53 A)
&rst
ixpk= 2353, nxpk= 20, iat= 927, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 914, 915,
&end
#
# 58 GLN HG- 58 GLN HB+ 2.80 (# 2354:20 Unique 2.42, 2.60 A)
&rst
ixpk= 2354, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 917, 918,
igr2= 914, 915,
&end
#
# 86 LEU MDX 82 LEU MDY 4.50 (# 2355:20 Unique 2.18, 4.96 A)
&rst
ixpk= 2355, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1329,1330,1331,1333,1334,1335,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 58 GLN HN 58 GLN HB- 4.50 (# 2357:20 Unique 2.35, 2.58 A)
&rst
ixpk= 2357, nxpk= 20, iat= 910, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 914, 915,
&end
#
# 59 ASP HN 58 GLN HB- 5.50 (# 2358:20 Unique 2.92, 3.53 A)
&rst
ixpk= 2358, nxpk= 20, iat= 927, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 914, 915,
&end
#
# 58 GLN HA 58 GLN HB- 2.80 (# 2359:20 Unique 2.44, 2.75 A)
&rst
ixpk= 2359, nxpk= 20, iat= 912, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 914, 915,
&end
#
# 0 AMB 20-2:2360 58 GLN HB- 5.50 (# 2360:20 Single Ambig)
&rst
ixpk= 2360, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
igr2= 914, 915,
&end
#
# 55 PRO HD- 55 PRO HG+ 2.80 (# 2361:20 Unique 2.31, 2.60 A)
&rst
ixpk= 2361, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 864, 865,
igr2= 867, 868,
&end
#
# 55 PRO HD+ 55 PRO HG+ 2.80 (# 2362:20 Unique 2.31, 2.60 A)
&rst
ixpk= 2362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 864, 865,
igr2= 867, 868,
&end
#
# 55 PRO HB+ 55 PRO HG+ 2.80 (# 2364:20 Unique 2.37, 2.62 A)
&rst
ixpk= 2364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 870, 871,
igr2= 867, 868,
&end
#
# 0 AMB 20-2:2365 0 AMB 20-1:2365 3.50 (# 2365:20 Double Ambig)
&rst
ixpk= 2365, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 873, 850,
igr2= 867, 868, 867, 868,
&end
#
# 49 MET HG+ 55 PRO HG- 5.50 (# 2366:20 Unique 4.71, 5.51 A)
&rst
ixpk= 2366, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 760, 761,
igr2= 867, 868,
&end
#
# 0 AMB 20-2:2367 0 AMB 20-1:2367 5.50 (# 2367:20 Double Ambig)
&rst
ixpk= 2367, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
igr2= 914, 915, 914, 915,
&end
#
# 58 GLN HN 58 GLN HB+ 4.50 (# 2368:20 Unique 2.35, 2.58 A)
&rst
ixpk= 2368, nxpk= 20, iat= 910, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 914, 915,
&end
#
# 0 AMB 20-2:2369 0 AMB 20-1:2369 3.50 (# 2369:20 Double Ambig)
&rst
ixpk= 2369, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 873, 929, 850,
igr2= 867, 868, 914, 915,
&end
#
# 55 PRO HD- 55 PRO HG- 2.80 (# 2370:20 Unique 2.31, 2.60 A)
&rst
ixpk= 2370, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 864, 865,
igr2= 867, 868,
&end
#
# 55 PRO HD+ 55 PRO HG- 2.80 (# 2371:20 Unique 2.31, 2.60 A)
&rst
ixpk= 2371, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 864, 865,
igr2= 867, 868,
&end
#
# 55 PRO HB+ 55 PRO HG- 2.80 (# 2373:20 Unique 2.37, 2.62 A)
&rst
ixpk= 2373, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 870, 871,
igr2= 867, 868,
&end
#
# 76 LEU HA 76 LEU HG 3.50 (# 2374:20 Unique 3.19, 3.39 A)
&rst
ixpk= 2374, nxpk= 20, iat=1168,1173, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:2375 0 AMB 20-1:2375 3.50 (# 2375:20 Double Ambig)
&rst
ixpk= 2375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1144,1145,1146,1254,1255,1256,1258,1259,1260,
igr2=1173, 268,
&end
#
# 0 AMB 20-2:2376 0 AMB 20-1:2376 2.80 (# 2376:20 Double Ambig)
&rst
ixpk= 2376, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
igr1=1175,1176,1177,1179,1180,1181,1252,
igr2=1173, 268,
&end
#
# 76 LEU HN 76 LEU HG 3.50 (# 2377:20 Unique 2.16, 2.72 A)
&rst
ixpk= 2377, nxpk= 20, iat=1166,1173, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:2378 0 AMB 20-1:2378 3.50 (# 2378:20 Double Ambig)
&rst
ixpk= 2378, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 251, 252, 253, 255, 256, 257, 593, 594, 595,
igr2= 268,1173,
&end
#
# 76 LEU MDY 76 LEU HG 2.80 (# 2379:20 Unique 2.36, 2.65 A)
&rst
ixpk= 2379, nxpk= 20, iat= -1,1173, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1175,1176,1177,1179,1180,1181,
&end
#
# 0 AMB 20-2:2380 82 LEU MDY 3.50 (# 2380:20 Single Ambig)
&rst
ixpk= 2380, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1327,1249,1250,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 44 PHE HE 82 LEU MDY 5.50 (# 2381:20 Unique 2.13, 5.44 A)
&rst
ixpk= 2381, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 684, 688,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 0 AMB 20-2:2382 82 LEU MDY 5.50 (# 2382:20 Single Ambig)
&rst
ixpk= 2382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1320,1245,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 0 AMB 20-2:2383 82 LEU MDY 4.50 (# 2383:20 Single Ambig)
&rst
ixpk= 2383, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1305,1306, 321,1249,1250,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 19 LEU HB- 19 LEU HG 4.50 (# 2391:20 Unique 2.58, 2.83 A)
&rst
ixpk= 2391, nxpk= 20, iat= -1, 268, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 265, 266,
&end
#
# 112 ARG HA 112 ARG HG- 3.50 (# 2394:20 Unique 2.24, 2.94 A)
&rst
ixpk= 2394, nxpk= 20, iat=1717, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1722,1723,
&end
#
# 112 ARG HD- 112 ARG HG- 2.80 (# 2396:20 Unique 2.32, 2.65 A)
&rst
ixpk= 2396, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1725,1726,
igr2=1722,1723,
&end
#
# 0 AMB 20-2:2397 0 AMB 20-1:2397 2.80 (# 2397:20 Double Ambig)
&rst
ixpk= 2397, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 20, 21, 20, 21,
igr2= 23, 24, 23, 24,
&end
#
# 112 ARG HB- 112 ARG HG- 2.80 (# 2398:20 Unique 2.30, 2.74 A)
&rst
ixpk= 2398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1719,1720,
igr2=1722,1723,
&end
#
# 112 ARG HA 112 ARG HG- 3.50 (# 2399:20 Unique 2.24, 2.94 A)
&rst
ixpk= 2399, nxpk= 20, iat=1717, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1722,1723,
&end
#
# 112 ARG HA 112 ARG HG+ 3.50 (# 2400:20 Unique 2.24, 2.94 A)
&rst
ixpk= 2400, nxpk= 20, iat=1717, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1722,1723,
&end
#
# 112 ARG HD- 112 ARG HG+ 2.80 (# 2401:20 Unique 2.32, 2.65 A)
&rst
ixpk= 2401, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1725,1726,
igr2=1722,1723,
&end
#
# 112 ARG HB- 112 ARG HG+ 2.80 (# 2402:20 Unique 2.30, 2.74 A)
&rst
ixpk= 2402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1719,1720,
igr2=1722,1723,
&end
#
# 0 AMB 20-2:2403 31 ARG HG- 5.50 (# 2403:20 Single Ambig)
&rst
ixpk= 2403, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 376, 470, 471,
igr2= 449, 450,
&end
#
# 31 ARG HN 31 ARG HG- 4.50 (# 2404:20 Unique 2.03, 3.91 A)
&rst
ixpk= 2404, nxpk= 20, iat= 442, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 449, 450,
&end
#
# 31 ARG HD- 31 ARG HG- 3.50 (# 2405:20 Unique 2.32, 2.70 A)
&rst
ixpk= 2405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 452, 453,
igr2= 449, 450,
&end
#
# 0 AMB 20-2:2406 0 AMB 20-1:2406 5.50 (# 2406:20 Double Ambig)
&rst
ixpk= 2406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 376, 470, 471,
igr2= 449, 450, 449, 450,
&end
#
# 31 ARG HD- 31 ARG HG+ 3.50 (# 2407:20 Unique 2.32, 2.70 A)
&rst
ixpk= 2407, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 452, 453,
igr2= 449, 450,
&end
#
# 31 ARG HB- 31 ARG HG+ 2.80 (# 2408:20 Unique 2.18, 2.74 A)
&rst
ixpk= 2408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 446, 447,
igr2= 449, 450,
&end
#
# 31 ARG HN 31 ARG HG+ 4.50 (# 2409:20 Unique 2.03, 3.91 A)
&rst
ixpk= 2409, nxpk= 20, iat= 442, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 449, 450,
&end
#
# 34 LEU HG 31 ARG HG+ 4.50 (# 2410:20 Unique 2.34, 3.67 A)
&rst
ixpk= 2410, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 449, 450,
&end
#
# 31 ARG HD- 31 ARG HG+ 4.50 (# 2411:20 Unique 2.32, 2.70 A)
&rst
ixpk= 2411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 452, 453,
igr2= 449, 450,
&end
#
# 31 ARG HA 31 ARG HG+ 5.50 (# 2412:20 Unique 2.57, 3.18 A)
&rst
ixpk= 2412, nxpk= 20, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 449, 450,
&end
#
# 0 AMB 20-2:2413 0 AMB 20-1:2413 5.50 (# 2413:20 Double Ambig)
&rst
ixpk= 2413, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 376, 470, 471,
igr2= 449, 450, 449, 450,
&end
#
# 64 LEU HN 64 LEU HG 3.50 (# 2416:20 Unique 2.31, 2.40 A)
&rst
ixpk= 2416, nxpk= 20, iat=1003,1010, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 LEU HA 64 LEU HG 2.80 (# 2417:20 Unique 2.80, 2.81 A)
&rst
ixpk= 2417, nxpk= 20, iat=1005,1010, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:2418 0 AMB 20-1:2418 2.80 (# 2418:20 Double Ambig)
&rst
ixpk= 2418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1005,1544,
igr2=1010,1549,
&end
#
# 41 LEU MDX 41 LEU HG 2.80 (# 2419:20 Unique 2.40, 2.66 A)
&rst
ixpk= 2419, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 41 LEU MDY 41 LEU HG 2.80 (# 2420:20 Unique 2.40, 2.66 A)
&rst
ixpk= 2420, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 2 ARG HA 0 AMB 20-1:2421 4.50 (# 2421:20 Single Ambig)
&rst
ixpk= 2421, nxpk= 20, iat= 18, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 23, 24, 23, 24,
&end
#
# 96 LEU HA 96 LEU HG 3.50 (# 2423:20 Unique 2.27, 2.61 A)
&rst
ixpk= 2423, nxpk= 20, iat=1474,1479, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 LEU MDX 96 LEU HG 2.80 (# 2424:20 Unique 2.39, 2.66 A)
&rst
ixpk= 2424, nxpk= 20, iat= -1,1479, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 95 ILE QG2 96 LEU HG 4.50 (# 2425:20 Unique 2.59, 4.32 A)
&rst
ixpk= 2425, nxpk= 20, iat= -1,1479, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1459,1460,1461,
&end
#
# 31 ARG HA 31 ARG HG- 3.50 (# 2426:20 Unique 2.57, 3.18 A)
&rst
ixpk= 2426, nxpk= 20, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 449, 450,
&end
#
# 31 ARG HB- 31 ARG HG- 2.80 (# 2427:20 Unique 2.18, 2.74 A)
&rst
ixpk= 2427, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 446, 447,
igr2= 449, 450,
&end
#
# 31 ARG HA 31 ARG HG+ 4.50 (# 2428:20 Unique 2.57, 3.18 A)
&rst
ixpk= 2428, nxpk= 20, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 449, 450,
&end
#
# 26 VAL MGY 31 ARG HG+ 3.50 (# 2429:20 Unique 2.24, 4.83 A)
&rst
ixpk= 2429, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 380, 381, 382, 384, 385, 386,
igr2= 449, 450,
&end
#
# 94 THR HN 93 ARG HG+ 4.50 (# 2430:20 Unique 2.73, 4.55 A)
&rst
ixpk= 2430, nxpk= 20, iat=1439, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1422,1423,
&end
#
# 101 LEU HB+ 101 LEU HG 2.80 (# 2433:20 Unique 2.43, 2.78 A)
&rst
ixpk= 2433, nxpk= 20, iat= -1,1549, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1546,1547,
&end
#
# 101 LEU HN 101 LEU HG 2.80 (# 2434:20 Unique 2.17, 2.38 A)
&rst
ixpk= 2434, nxpk= 20, iat=1542,1549, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 101 LEU HA 101 LEU HG 4.50 (# 2435:20 Unique 3.03, 3.18 A)
&rst
ixpk= 2435, nxpk= 20, iat=1544,1549, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 LEU HA 41 LEU HG 3.50 (# 2436:20 Unique 2.31, 2.48 A)
&rst
ixpk= 2436, nxpk= 20, iat= 631, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 LEU HN 41 LEU HG 4.50 (# 2437:20 Unique 3.17, 3.80 A)
&rst
ixpk= 2437, nxpk= 20, iat= 629, 636, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 LEU HA 67 LEU HG 3.50 (# 2438:20 Unique 2.88, 2.94 A)
&rst
ixpk= 2438, nxpk= 20, iat=1045,1050, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 67 LEU HN 67 LEU HG 4.50 (# 2439:20 Unique 2.45, 2.51 A)
&rst
ixpk= 2439, nxpk= 20, iat=1043,1050, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 LEU MDY 67 LEU HG 2.80 (# 2440:20 Unique 2.39, 2.66 A)
&rst
ixpk= 2440, nxpk= 20, iat= -1,1050, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1052,1053,1054,1056,1057,1058,
&end
#
# 96 LEU HN 96 LEU HG 4.50 (# 2442:20 Unique 2.70, 3.16 A)
&rst
ixpk= 2442, nxpk= 20, iat=1472,1479, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 96 LEU HB- 96 LEU HG 4.50 (# 2443:20 Unique 2.45, 2.78 A)
&rst
ixpk= 2443, nxpk= 20, iat= -1,1479, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1476,1477,
&end
#
# 94 THR HN 93 ARG HG- 4.50 (# 2444:20 Unique 2.73, 4.55 A)
&rst
ixpk= 2444, nxpk= 20, iat=1439, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1422,1423,
&end
#
# 93 ARG HA 93 ARG HG- 3.50 (# 2445:20 Unique 2.47, 3.22 A)
&rst
ixpk= 2445, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1422,1423,
&end
#
# 93 ARG HD+ 93 ARG HG- 4.50 (# 2446:20 Unique 2.28, 2.67 A)
&rst
ixpk= 2446, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1425,1426,
igr2=1422,1423,
&end
#
# 93 ARG HD- 93 ARG HG- 4.50 (# 2447:20 Unique 2.28, 2.67 A)
&rst
ixpk= 2447, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1425,1426,
igr2=1422,1423,
&end
#
# 93 ARG HN 0 AMB 20-1:2448 2.80 (# 2448:20 Single Ambig)
&rst
ixpk= 2448, nxpk= 20, iat=1415, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1422,1423,1422,1423,
&end
#
# 0 AMB 20-2:2449 82 LEU HG 4.50 (# 2449:20 Single Ambig)
&rst
ixpk= 2449, nxpk= 20, iat= -1,1252, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1245,1320,
&end
#
# 94 THR HN 93 ARG HG+ 5.50 (# 2450:20 Unique 2.73, 4.55 A)
&rst
ixpk= 2450, nxpk= 20, iat=1439, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1422,1423,
&end
#
# 0 AMB 20-2:2451 0 AMB 20-1:2451 2.80 (# 2451:20 Double Ambig)
&rst
ixpk= 2451, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1415,1403,1404,
igr2=1422,1423,1422,1423,
&end
#
# 0 AMB 20-2:2452 0 AMB 20-1:2452 3.50 (# 2452:20 Double Ambig)
&rst
ixpk= 2452, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 479, 684, 688,
igr2=1422,1423,1252,
&end
#
# 44 PHE HZ 82 LEU HG 2.80 (# 2453:20 Unique 2.56, 2.86 A)
&rst
ixpk= 2453, nxpk= 20, iat= 686,1252, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 53 TYR HE 82 LEU HG 5.50 (# 2454:20 Unique 4.26, 6.01 A)
&rst
ixpk= 2454, nxpk= 20, iat= -1,1252, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 837, 842,
&end
#
# 93 ARG HA 93 ARG HG+ 4.50 (# 2455:20 Unique 2.47, 3.22 A)
&rst
ixpk= 2455, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1422,1423,
&end
#
# 0 AMB 20-2:2456 82 LEU HG 4.50 (# 2456:20 Single Ambig)
&rst
ixpk= 2456, nxpk= 20, iat= -1,1252, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1247, 263,
&end
#
# 0 AMB 20-2:2457 0 AMB 20-1:2457 2.80 (# 2457:20 Double Ambig)
&rst
ixpk= 2457, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1249,1250,1425,1426,
igr2=1252,1422,1423,
&end
#
# 93 ARG HD- 93 ARG HG+ 3.50 (# 2458:20 Unique 2.28, 2.67 A)
&rst
ixpk= 2458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1425,1426,
igr2=1422,1423,
&end
#
# 82 LEU MDY 82 LEU HG 2.80 (# 2459:20 Unique 2.30, 2.65 A)
&rst
ixpk= 2459, nxpk= 20, iat= -1,1252, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1254,1255,1256,1258,1259,1260,
&end
#
# 0 AMB 20-2:2460 82 LEU HG 4.50 (# 2460:20 Single Ambig)
&rst
ixpk= 2460, nxpk= 20, iat= -1,1252, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 204, 205, 206, 318, 319,
&end
#
# 0 AMB 20-2:2461 82 LEU HG 2.80 (# 2461:20 Single Ambig)
&rst
ixpk= 2461, nxpk= 20, iat= -1,1252, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
&end
#
# 86 LEU MDX 82 LEU HG 4.50 (# 2462:20 Unique 4.28, 6.09 A)
&rst
ixpk= 2462, nxpk= 20, iat= -1,1252, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1329,1330,1331,1333,1334,1335,
&end
#
# 46 LEU HN 46 LEU HG 2.80 (# 2465:20 Unique 2.52, 2.55 A)
&rst
ixpk= 2465, nxpk= 20, iat= 708, 715, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 43 ASP HA 46 LEU HG 4.50 (# 2466:20 Unique 3.51, 3.81 A)
&rst
ixpk= 2466, nxpk= 20, iat= 664, 715, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 LEU HA 46 LEU HG 2.80 (# 2467:20 Unique 2.80, 2.81 A)
&rst
ixpk= 2467, nxpk= 20, iat= 710, 715, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 46 LEU HB+ 46 LEU HG 2.80 (# 2468:20 Unique 2.57, 2.81 A)
&rst
ixpk= 2468, nxpk= 20, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 712, 713,
&end
#
# 0 AMB 20-2:2469 46 LEU HG 2.80 (# 2469:20 Single Ambig)
&rst
ixpk= 2469, nxpk= 20, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 717, 718, 719, 721, 722, 723, 717, 718, 719, 721,
722, 723,
&end
#
# 0 AMB 20-2:2470 101 LEU HG 2.80 (# 2470:20 Single Ambig)
&rst
ixpk= 2470, nxpk= 20, iat= -1,1549, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1551,1552,1553,1555,1556,1557,1551,1552,1553,1555,
1556,1557,
&end
#
# 45 ASN HD2+ 41 LEU HG 5.50 (# 2471:20 Unique 4.04, 5.49 A)
&rst
ixpk= 2471, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 703, 704,
&end
#
# 0 AMB 20-2:2472 41 LEU HG 5.50 (# 2472:20 Single Ambig)
&rst
ixpk= 2472, nxpk= 20, iat= -1, 636, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 703, 704, 956,
&end
#
# 14 ILE HA 14 ILE HG1+ 4.50 (# 2473:20 Unique 2.47, 2.80 A)
&rst
ixpk= 2473, nxpk= 20, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 189, 190,
&end
#
# 13 THR HA 14 ILE HG1+ 4.50 (# 2474:20 Unique 3.54, 4.37 A)
&rst
ixpk= 2474, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 189, 190,
&end
#
# 14 ILE HB 14 ILE HG1+ 3.50 (# 2475:20 Unique 2.47, 2.77 A)
&rst
ixpk= 2475, nxpk= 20, iat= 183, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 189, 190,
&end
#
# 14 ILE QD1 14 ILE HG1+ 2.80 (# 2477:20 Unique 2.37, 2.65 A)
&rst
ixpk= 2477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 192, 193, 194,
igr2= 189, 190,
&end
#
# 14 ILE HN 14 ILE HG1+ 3.50 (# 2478:20 Unique 2.24, 2.94 A)
&rst
ixpk= 2478, nxpk= 20, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 189, 190,
&end
#
# 0 AMB 20-2:2479 67 LEU HG 2.80 (# 2479:20 Single Ambig)
&rst
ixpk= 2479, nxpk= 20, iat= -1,1050, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1705,1706,1707,1709,1710,1711,1052,1053,1054,1056,
1057,1058,
&end
#
# 67 LEU HB- 67 LEU HG 2.80 (# 2480:20 Unique 2.48, 2.76 A)
&rst
ixpk= 2480, nxpk= 20, iat= -1,1050, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1047,1048,
&end
#
# 0 AMB 20-2:2481 0 AMB 20-1:2481 2.80 (# 2481:20 Double Ambig)
&rst
ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1=1134,1135,1136,1481,1482,1483,1485,1486,1487,
igr2=1131,1132,1479,
&end
#
# 34 LEU MDX 73 ILE HG1- 5.50 (# 2482:20 Unique 2.23, 5.29 A)
&rst
ixpk= 2482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 519, 520, 521, 523, 524, 525,
igr2=1131,1132,
&end
#
# 13 THR HA 14 ILE HG1- 5.50 (# 2483:20 Unique 3.54, 4.37 A)
&rst
ixpk= 2483, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 189, 190,
&end
#
# 14 ILE HA 14 ILE HG1- 3.50 (# 2484:20 Unique 2.47, 2.80 A)
&rst
ixpk= 2484, nxpk= 20, iat= 181, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 189, 190,
&end
#
# 14 ILE HN 14 ILE HG1- 4.50 (# 2485:20 Unique 2.24, 2.94 A)
&rst
ixpk= 2485, nxpk= 20, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 189, 190,
&end
#
# 18 VAL HB 82 LEU HG 5.50 (# 2487:20 Unique 3.44, 3.71 A)
&rst
ixpk= 2487, nxpk= 20, iat= 249,1252, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 LEU HG 82 LEU HG 3.50 (# 2488:20 Unique 2.83, 3.11 A)
&rst
ixpk= 2488, nxpk= 20, iat= 268,1252, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:2489 0 AMB 20-1:2489 5.50 (# 2489:20 Double Ambig)
&rst
ixpk= 2489, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1408, 261,
igr2=1422,1423,1252,
&end
#
# 79 CYS HA 82 LEU HG 4.50 (# 2491:20 Unique 4.23, 4.54 A)
&rst
ixpk= 2491, nxpk= 20, iat=1216,1252, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 THR HN 56 LEU HG 4.50 (# 2492:20 Unique 1.89, 1.92 A)
&rst
ixpk= 2492, nxpk= 20, iat= 896, 884, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 LEU HB- 56 LEU HG 2.80 (# 2493:20 Unique 2.58, 2.81 A)
&rst
ixpk= 2493, nxpk= 20, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 881, 882,
&end
#
# 0 AMB 20-2:2496 85 LEU MDX 2.80 (# 2496:20 Single Ambig)
&rst
ixpk= 2496, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1301,1365,1366,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 0 AMB 20-2:2497 85 LEU MDX 3.50 (# 2497:20 Single Ambig)
&rst
ixpk= 2497, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1303,1372,1373,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 85 LEU HG 85 LEU MDX 2.80 (# 2498:20 Unique 2.32, 2.66 A)
&rst
ixpk= 2498, nxpk= 20, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 73 ILE HB 73 ILE HG1+ 3.50 (# 2501:20 Unique 2.34, 2.81 A)
&rst
ixpk= 2501, nxpk= 20, iat=1125, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1131,1132,
&end
#
# 73 ILE HN 73 ILE HG1+ 4.50 (# 2502:20 Unique 2.37, 3.77 A)
&rst
ixpk= 2502, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1131,1132,
&end
#
# 73 ILE HA 73 ILE HG1+ 4.50 (# 2504:20 Unique 2.26, 2.68 A)
&rst
ixpk= 2504, nxpk= 20, iat=1123, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1131,1132,
&end
#
# 35 ASN HA 36 ARG HG- 5.50 (# 2505:20 Unique 5.25, 5.99 A)
&rst
ixpk= 2505, nxpk= 20, iat= 531, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 550, 551,
&end
#
# 36 ARG HA 36 ARG HG- 2.80 (# 2506:20 Unique 2.25, 3.03 A)
&rst
ixpk= 2506, nxpk= 20, iat= 545, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 550, 551,
&end
#
# 36 ARG HD- 36 ARG HG- 2.80 (# 2507:20 Unique 2.34, 2.74 A)
&rst
ixpk= 2507, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 553, 554,
igr2= 550, 551,
&end
#
# 36 ARG HB- 36 ARG HG- 2.80 (# 2508:20 Unique 2.23, 2.60 A)
&rst
ixpk= 2508, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 547, 548,
igr2= 550, 551,
&end
#
# 36 ARG HB+ 36 ARG HG- 2.80 (# 2509:20 Unique 2.23, 2.60 A)
&rst
ixpk= 2509, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 547, 548,
igr2= 550, 551,
&end
#
# 36 ARG HN 36 ARG HG- 5.50 (# 2510:20 Unique 4.16, 4.77 A)
&rst
ixpk= 2510, nxpk= 20, iat= 543, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 550, 551,
&end
#
# 71 THR HB 73 ILE HG1- 4.50 (# 2511:20 Unique 2.19, 4.29 A)
&rst
ixpk= 2511, nxpk= 20, iat=1104, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1131,1132,
&end
#
# 73 ILE HN 73 ILE HG1- 4.50 (# 2512:20 Unique 2.37, 3.77 A)
&rst
ixpk= 2512, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1131,1132,
&end
#
# 73 ILE HA 73 ILE HG1- 3.50 (# 2513:20 Unique 2.26, 2.68 A)
&rst
ixpk= 2513, nxpk= 20, iat=1123, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1131,1132,
&end
#
# 0 AMB 20-2:2515 0 AMB 20-1:2515 2.80 (# 2515:20 Double Ambig)
&rst
ixpk= 2515, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1127,1128,1129, 185, 186, 187, 380, 381, 382, 384,
385, 386,
igr2=1131,1132, 189, 190,
&end
#
# 60 HIS HN 56 LEU HG 5.50 (# 2516:20 Unique 4.34, 4.36 A)
&rst
ixpk= 2516, nxpk= 20, iat= 939, 884, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 THR HB 56 LEU HG 5.50 (# 2517:20 Unique 5.22, 5.43 A)
&rst
ixpk= 2517, nxpk= 20, iat= 202, 884, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2518 56 LEU HG 5.50 (# 2518:20 Single Ambig)
&rst
ixpk= 2518, nxpk= 20, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 216, 217, 265, 266,
&end
#
# 57 THR MG2 56 LEU HG 4.50 (# 2519:20 Unique 5.00, 5.75 A)
&rst
ixpk= 2519, nxpk= 20, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 902, 903, 904,
&end
#
# 0 AMB 20-2:2520 56 LEU HG 2.80 (# 2520:20 Single Ambig)
&rst
ixpk= 2520, nxpk= 20, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
&end
#
# 56 LEU HN 56 LEU HG 5.50 (# 2521:20 Unique 4.45, 4.46 A)
&rst
ixpk= 2521, nxpk= 20, iat= 877, 884, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 HIS HE1 56 LEU HG 5.50 (# 2522:20 Unique 5.20, 5.34 A)
&rst
ixpk= 2522, nxpk= 20, iat= 949, 884, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2523 56 LEU HG 4.50 (# 2523:20 Single Ambig)
&rst
ixpk= 2523, nxpk= 20, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 684, 688, 682, 690,
&end
#
# 56 LEU HA 56 LEU HG 3.50 (# 2524:20 Unique 2.66, 2.68 A)
&rst
ixpk= 2524, nxpk= 20, iat= 879, 884, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 HIS HB- 56 LEU HG 3.50 (# 2525:20 Unique 2.19, 2.74 A)
&rst
ixpk= 2525, nxpk= 20, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 943, 944,
&end
#
# 60 HIS HB+ 56 LEU HG 3.50 (# 2526:20 Unique 2.19, 2.74 A)
&rst
ixpk= 2526, nxpk= 20, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 943, 944,
&end
#
# 56 LEU HB+ 56 LEU HG 2.80 (# 2527:20 Unique 2.58, 2.81 A)
&rst
ixpk= 2527, nxpk= 20, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 881, 882,
&end
#
# 0 AMB 20-2:2528 56 LEU HG 4.50 (# 2528:20 Single Ambig)
&rst
ixpk= 2528, nxpk= 20, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 204, 205, 206, 216, 217,
&end
#
# 78 MET HG+ 22 LEU MDY 3.50 (# 2529:20 Unique 2.49, 5.54 A)
&rst
ixpk= 2529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1204,1205,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 85 LEU HG 22 LEU MDY 3.50 (# 2530:20 Unique 2.69, 4.22 A)
&rst
ixpk= 2530, nxpk= 20, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 22 LEU HN 22 LEU HG 4.50 (# 2532:20 Unique 2.57, 2.69 A)
&rst
ixpk= 2532, nxpk= 20, iat= 314, 321, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 22 LEU MDX 22 LEU HG 3.50 (# 2533:20 Unique 2.44, 2.66 A)
&rst
ixpk= 2533, nxpk= 20, iat= -1, 321, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 22 LEU MDY 22 LEU HG 2.80 (# 2534:20 Unique 2.44, 2.66 A)
&rst
ixpk= 2534, nxpk= 20, iat= -1, 321, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2536 56 LEU HG 5.50 (# 2536:20 Single Ambig)
&rst
ixpk= 2536, nxpk= 20, iat= -1, 884, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 941, 873,
&end
#
# 82 LEU HN 22 LEU MDY 4.50 (# 2539:20 Unique 3.27, 5.14 A)
&rst
ixpk= 2539, nxpk= 20, iat=1245, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 22 LEU HN 22 LEU MDY 4.50 (# 2540:20 Unique 3.49, 4.58 A)
&rst
ixpk= 2540, nxpk= 20, iat= 314, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 32 TRP HZ2 22 LEU MDY 5.50 (# 2541:20 Unique 6.49, 8.14 A)
&rst
ixpk= 2541, nxpk= 20, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2542 22 LEU MDY 5.50 (# 2542:20 Single Ambig)
&rst
ixpk= 2542, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 500, 504, 307,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2543 22 LEU MDY 2.80 (# 2543:20 Single Ambig)
&rst
ixpk= 2543, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1247, 263,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 22 LEU HA 22 LEU MDY 4.50 (# 2544:20 Unique 2.14, 3.75 A)
&rst
ixpk= 2544, nxpk= 20, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2545 22 LEU MDY 2.80 (# 2545:20 Single Ambig)
&rst
ixpk= 2545, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1249,1250, 321,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 81 ALA MB 22 LEU MDY 4.50 (# 2546:20 Unique 2.83, 5.43 A)
&rst
ixpk= 2546, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1239,1240,1241,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 22 LEU HB+ 22 LEU MDY 2.80 (# 2547:20 Unique 2.36, 3.35 A)
&rst
ixpk= 2547, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 318, 319,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 82 LEU HB+ 22 LEU MDY 2.80 (# 2548:20 Unique 2.28, 5.04 A)
&rst
ixpk= 2548, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1249,1250,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 82 LEU MDX 22 LEU MDY 2.80 (# 2549:20 Unique 2.18, 5.70 A)
&rst
ixpk= 2549, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1254,1255,1256,1258,1259,1260,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2550 22 LEU MDY 2.80 (# 2550:20 Single Ambig)
&rst
ixpk= 2550, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
igr1=1310,1311,1312,1314,1315,1316,1551,1552,1553,1555,
1556,1557, 251, 252, 253, 255, 256, 257,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 21 TRP HE3 22 LEU MDY 5.50 (# 2552:20 Unique 2.67, 4.49 A)
&rst
ixpk= 2552, nxpk= 20, iat= 309, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 33 PHE HD 22 LEU MDY 5.50 (# 2553:20 Unique 2.85, 5.40 A)
&rst
ixpk= 2553, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 498, 506,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 82 LEU MDY 101 LEU MDX 5.50 (# 2554:20 Unique 2.40, 5.30 A)
&rst
ixpk= 2554, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1254,1255,1256,1258,1259,1260,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 0 AMB 20-2:2555 101 LEU MDX 5.50 (# 2555:20 Single Ambig)
&rst
ixpk= 2555, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1372,1373,1247,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 101 LEU HN 101 LEU MDX 4.50 (# 2556:20 Unique 3.37, 4.43 A)
&rst
ixpk= 2556, nxpk= 20, iat=1542, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 101 LEU HA 101 LEU MDX 5.50 (# 2557:20 Unique 2.16, 3.91 A)
&rst
ixpk= 2557, nxpk= 20, iat=1544, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 22 LEU MDY 101 LEU MDX 2.80 (# 2559:20 Unique 3.20, 6.40 A)
&rst
ixpk= 2559, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 323, 324, 325, 327, 328, 329,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 82 LEU MDY 101 LEU MDX 4.50 (# 2560:20 Unique 2.40, 5.30 A)
&rst
ixpk= 2560, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1254,1255,1256,1258,1259,1260,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 86 LEU HN 101 LEU MDX 5.50 (# 2563:20 Unique 4.11, 5.91 A)
&rst
ixpk= 2563, nxpk= 20, iat=1320, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 21 TRP HZ3 101 LEU MDX 5.50 (# 2564:20 Unique 2.18, 3.97 A)
&rst
ixpk= 2564, nxpk= 20, iat= 307, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 86 LEU HA 101 LEU MDX 5.50 (# 2566:20 Unique 3.05, 5.42 A)
&rst
ixpk= 2566, nxpk= 20, iat=1322, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 0 AMB 20-2:2567 101 LEU MDX 4.50 (# 2567:20 Single Ambig)
&rst
ixpk= 2567, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1384,1385,1388,1389,1390,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 0 AMB 20-2:2568 101 LEU MDX 2.80 (# 2568:20 Single Ambig)
&rst
ixpk= 2568, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1549,1546,1547,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 0 AMB 20-2:2569 101 LEU MDX 2.80 (# 2569:20 Single Ambig)
&rst
ixpk= 2569, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1305,1306,1546,1547, 251, 252, 253, 255, 256, 257,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 85 LEU HG 101 LEU MDX 3.50 (# 2570:20 Unique 2.87, 4.41 A)
&rst
ixpk= 2570, nxpk= 20, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 86 LEU MDY 101 LEU MDX 2.80 (# 2571:20 Unique 2.46, 6.41 A)
&rst
ixpk= 2571, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1329,1330,1331,1333,1334,1335,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 53 TYR HE 101 LEU MDX 5.50 (# 2572:20 Unique 4.35, 6.54 A)
&rst
ixpk= 2572, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 837, 842,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 86 LEU MDX 101 LEU MDX 5.50 (# 2573:20 Unique 2.46, 6.41 A)
&rst
ixpk= 2573, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1329,1330,1331,1333,1334,1335,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 80 ALA HN 79 CYS HB- 4.50 (# 2575:20 Unique 2.39, 2.92 A)
&rst
ixpk= 2575, nxpk= 20, iat=1225, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1218,1219,
&end
#
# 86 LEU HN 86 LEU HG 4.50 (# 2576:20 Unique 2.44, 2.72 A)
&rst
ixpk= 2576, nxpk= 20, iat=1320,1327, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 82 LEU MDX 86 LEU HG 3.50 (# 2577:20 Unique 2.18, 3.78 A)
&rst
ixpk= 2577, nxpk= 20, iat= -1,1327, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1254,1255,1256,1258,1259,1260,
&end
#
# 86 LEU MDX 86 LEU HG 2.80 (# 2578:20 Unique 2.30, 2.65 A)
&rst
ixpk= 2578, nxpk= 20, iat= -1,1327, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1329,1330,1331,1333,1334,1335,
&end
#
# 86 LEU MDY 86 LEU HG 2.80 (# 2579:20 Unique 2.30, 2.65 A)
&rst
ixpk= 2579, nxpk= 20, iat= -1,1327, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1329,1330,1331,1333,1334,1335,
&end
#
# 100 ILE HN 100 ILE HG1+ 3.50 (# 2580:20 Unique 2.48, 2.74 A)
&rst
ixpk= 2580, nxpk= 20, iat=1523, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1533,1534,
&end
#
# 0 AMB 20-2:2581 0 AMB 20-1:2581 4.50 (# 2581:20 Double Ambig)
&rst
ixpk= 2581, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1525,1513,
igr2=1533,1534,1533,1534,
&end
#
# 16 LEU HN 16 LEU HG 5.50 (# 2583:20 Unique 4.47, 4.48 A)
&rst
ixpk= 2583, nxpk= 20, iat= 212, 219, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 THR HN 100 ILE HG1- 5.50 (# 2584:20 Unique 2.99, 3.58 A)
&rst
ixpk= 2584, nxpk= 20, iat=1509, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1533,1534,
&end
#
# 100 ILE HN 100 ILE HG1- 3.50 (# 2585:20 Unique 2.48, 2.74 A)
&rst
ixpk= 2585, nxpk= 20, iat=1523, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1533,1534,
&end
#
# 98 SER HB- 100 ILE HG1- 5.50 (# 2586:20 Unique 2.31, 4.36 A)
&rst
ixpk= 2586, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1502,1503,
igr2=1533,1534,
&end
#
# 0 AMB 20-2:2587 100 ILE HG1- 5.50 (# 2587:20 Single Ambig)
&rst
ixpk= 2587, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1525,1513,
igr2=1533,1534,
&end
#
# 100 ILE QD1 100 ILE HG1- 2.80 (# 2588:20 Unique 2.41, 2.66 A)
&rst
ixpk= 2588, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1536,1537,1538,
igr2=1533,1534,
&end
#
# 82 LEU MDY 101 LEU MDX 4.50 (# 2590:20 Unique 2.40, 5.30 A)
&rst
ixpk= 2590, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1254,1255,1256,1258,1259,1260,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 34 LEU HN 34 LEU HG 4.50 (# 2591:20 Unique 2.30, 3.68 A)
&rst
ixpk= 2591, nxpk= 20, iat= 510, 517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 LEU HA 34 LEU HG 4.50 (# 2592:20 Unique 2.90, 3.49 A)
&rst
ixpk= 2592, nxpk= 20, iat= 512, 517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 ARG HA 34 LEU HG 4.50 (# 2593:20 Unique 3.27, 4.24 A)
&rst
ixpk= 2593, nxpk= 20, iat= 444, 517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 VAL MGX 34 LEU HG 2.80 (# 2594:20 Unique 2.93, 4.22 A)
&rst
ixpk= 2594, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 20-2:2595 85 LEU HG 3.50 (# 2595:20 Single Ambig)
&rst
ixpk= 2595, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1301,1365,1366,
&end
#
# 0 AMB 20-2:2596 85 LEU HG 5.50 (# 2596:20 Single Ambig)
&rst
ixpk= 2596, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 479,1286,
&end
#
# 81 ALA MB 85 LEU HG 5.50 (# 2597:20 Unique 4.92, 6.27 A)
&rst
ixpk= 2597, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1239,1240,1241,
&end
#
# 95 ILE HG1+ 85 LEU HG 5.50 (# 2598:20 Unique 4.66, 5.38 A)
&rst
ixpk= 2598, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1463,1464,
&end
#
# 0 AMB 20-2:2599 85 LEU HG 3.50 (# 2599:20 Single Ambig)
&rst
ixpk= 2599, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 323, 324, 325, 327, 328, 329, 494, 495,
&end
#
# 0 AMB 20-2:2600 85 LEU HG 5.50 (# 2600:20 Single Ambig)
&rst
ixpk= 2600, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1459,1460,1461,1329,1330,1331,1333,1334,1335,
&end
#
# 80 ALA MB 79 CYS HB- 4.50 (# 2603:20 Unique 3.99, 5.18 A)
&rst
ixpk= 2603, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1229,1230,1231,
igr2=1218,1219,
&end
#
# 79 CYS HN 79 CYS HB- 3.50 (# 2604:20 Unique 2.37, 3.01 A)
&rst
ixpk= 2604, nxpk= 20, iat=1214, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1218,1219,
&end
#
# 0 AMB 20-2:2605 79 CYS HB- 5.50 (# 2605:20 Single Ambig)
&rst
ixpk= 2605, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1=1170,1171,1274,1275,1274,1275, 636,
igr2=1218,1219,
&end
#
# 80 ALA MB 79 CYS HB- 4.50 (# 2606:20 Unique 3.99, 5.18 A)
&rst
ixpk= 2606, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1229,1230,1231,
igr2=1218,1219,
&end
#
# 0 AMB 20-2:2607 79 CYS HB- 5.50 (# 2607:20 Single Ambig)
&rst
ixpk= 2607, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 682, 690, 684, 688,
igr2=1218,1219,
&end
#
# 76 LEU HA 79 CYS HB- 2.80 (# 2608:20 Unique 2.33, 3.18 A)
&rst
ixpk= 2608, nxpk= 20, iat=1168, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1218,1219,
&end
#
# 79 CYS HA 79 CYS HB- 4.50 (# 2609:20 Unique 2.52, 2.81 A)
&rst
ixpk= 2609, nxpk= 20, iat=1216, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1218,1219,
&end
#
# 39 THR MG2 79 CYS HB- 3.50 (# 2612:20 Unique 2.32, 3.34 A)
&rst
ixpk= 2612, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 607, 608, 609,
igr2=1218,1219,
&end
#
# 76 LEU MDY 79 CYS HB- 4.50 (# 2613:20 Unique 4.03, 6.24 A)
&rst
ixpk= 2613, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1175,1176,1177,1179,1180,1181,
igr2=1218,1219,
&end
#
# 76 LEU MDY 79 CYS HB+ 4.50 (# 2614:20 Unique 4.03, 6.24 A)
&rst
ixpk= 2614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1175,1176,1177,1179,1180,1181,
igr2=1218,1219,
&end
#
# 79 CYS HN 79 CYS HB+ 3.50 (# 2615:20 Unique 2.37, 3.01 A)
&rst
ixpk= 2615, nxpk= 20, iat=1214, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1218,1219,
&end
#
# 80 ALA HN 79 CYS HB+ 4.50 (# 2616:20 Unique 2.39, 2.92 A)
&rst
ixpk= 2616, nxpk= 20, iat=1225, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1218,1219,
&end
#
# 0 AMB 20-2:2617 0 AMB 20-1:2617 3.50 (# 2617:20 Double Ambig)
&rst
ixpk= 2617, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 682, 690, 684, 688,
igr2=1218,1219,1218,1219,
&end
#
# 76 LEU HA 79 CYS HB+ 3.50 (# 2618:20 Unique 2.33, 3.18 A)
&rst
ixpk= 2618, nxpk= 20, iat=1168, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1218,1219,
&end
#
# 79 CYS HA 79 CYS HB+ 3.50 (# 2620:20 Unique 2.52, 2.81 A)
&rst
ixpk= 2620, nxpk= 20, iat=1216, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1218,1219,
&end
#
# 80 ALA MB 79 CYS HB+ 3.50 (# 2621:20 Unique 3.99, 5.18 A)
&rst
ixpk= 2621, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1229,1230,1231,
igr2=1218,1219,
&end
#
# 39 THR MG2 79 CYS HB+ 3.50 (# 2622:20 Unique 2.32, 3.34 A)
&rst
ixpk= 2622, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 607, 608, 609,
igr2=1218,1219,
&end
#
# 86 LEU HA 86 LEU HG 4.50 (# 2623:20 Unique 2.38, 2.98 A)
&rst
ixpk= 2623, nxpk= 20, iat=1322,1327, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:2625 16 LEU HG 5.50 (# 2625:20 Single Ambig)
&rst
ixpk= 2625, nxpk= 20, iat= -1, 219, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 240, 241, 939,
&end
#
# 60 HIS HD2 16 LEU HG 4.50 (# 2626:20 Unique 4.51, 4.55 A)
&rst
ixpk= 2626, nxpk= 20, iat= 952, 219, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 HIS HA 16 LEU HG 5.50 (# 2627:20 Unique 5.36, 5.41 A)
&rst
ixpk= 2627, nxpk= 20, iat= 941, 219, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 PRO HD- 16 LEU HG 3.50 (# 2628:20 Unique 2.29, 2.84 A)
&rst
ixpk= 2628, nxpk= 20, iat= -1, 219, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1638,1639,
&end
#
# 16 LEU HA 16 LEU HG 3.50 (# 2629:20 Unique 2.97, 2.99 A)
&rst
ixpk= 2629, nxpk= 20, iat= 214, 219, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 HIS HB+ 16 LEU HG 5.50 (# 2630:20 Unique 4.81, 5.76 A)
&rst
ixpk= 2630, nxpk= 20, iat= -1, 219, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 943, 944,
&end
#
# 0 AMB 20-2:2631 16 LEU HG 4.50 (# 2631:20 Single Ambig)
&rst
ixpk= 2631, nxpk= 20, iat= -1, 219, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 988, 265, 266,
&end
#
# 0 AMB 20-2:2632 16 LEU HG 3.50 (# 2632:20 Single Ambig)
&rst
ixpk= 2632, nxpk= 20, iat= -1, 219, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 284, 285, 286,1629,1630,1631,
&end
#
# 35 ASN HN 34 LEU HG 5.50 (# 2633:20 Unique 4.34, 4.63 A)
&rst
ixpk= 2633, nxpk= 20, iat= 529, 517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 ARG HB- 34 LEU HG 4.50 (# 2634:20 Unique 2.39, 4.47 A)
&rst
ixpk= 2634, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 446, 447,
&end
#
# 34 LEU HB- 34 LEU HG 2.80 (# 2635:20 Unique 2.20, 2.50 A)
&rst
ixpk= 2635, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 514, 515,
&end
#
# 0 AMB 20-2:2636 34 LEU HG 2.80 (# 2636:20 Single Ambig)
&rst
ixpk= 2636, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 514, 515, 449, 450,
&end
#
# 73 ILE HG1- 34 LEU HG 4.50 (# 2637:20 Unique 3.53, 4.74 A)
&rst
ixpk= 2637, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1131,1132,
&end
#
# 34 LEU MDX 34 LEU HG 2.80 (# 2638:20 Unique 2.36, 2.65 A)
&rst
ixpk= 2638, nxpk= 20, iat= -1, 517, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 519, 520, 521, 523, 524, 525,
&end
#
# 0 AMB 20-2:2640 85 LEU HG 5.50 (# 2640:20 Single Ambig)
&rst
ixpk= 2640, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1320,1245,
&end
#
# 33 PHE HD 85 LEU HG 4.50 (# 2641:20 Unique 4.21, 5.26 A)
&rst
ixpk= 2641, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 498, 506,
&end
#
# 82 LEU HA 85 LEU HG 4.50 (# 2642:20 Unique 3.46, 3.61 A)
&rst
ixpk= 2642, nxpk= 20, iat=1247,1308, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 PHE HB- 85 LEU HG 4.50 (# 2643:20 Unique 3.79, 4.58 A)
&rst
ixpk= 2643, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 494, 495,
&end
#
# 82 LEU MDX 85 LEU HG 3.50 (# 2644:20 Unique 3.60, 5.63 A)
&rst
ixpk= 2644, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1254,1255,1256,1258,1259,1260,
&end
#
# 22 LEU MDX 85 LEU HG 3.50 (# 2645:20 Unique 2.69, 4.22 A)
&rst
ixpk= 2645, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:2647 85 LEU HG 5.50 (# 2647:20 Single Ambig)
&rst
ixpk= 2647, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 307, 500, 504,
&end
#
# 85 LEU HB- 85 LEU HG 2.80 (# 2648:20 Unique 2.24, 2.37 A)
&rst
ixpk= 2648, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1305,1306,
&end
#
# 85 LEU MDX 85 LEU HG 2.80 (# 2649:20 Unique 2.32, 2.66 A)
&rst
ixpk= 2649, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1310,1311,1312,1314,1315,1316,
&end
#
# 85 LEU HB+ 85 LEU HG 2.80 (# 2650:20 Unique 2.24, 2.37 A)
&rst
ixpk= 2650, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1305,1306,
&end
#
# 95 ILE QD1 85 LEU HG 4.50 (# 2651:20 Unique 2.66, 3.32 A)
&rst
ixpk= 2651, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1466,1467,1468,
&end
#
# 56 LEU HN 56 LEU MDX 5.50 (# 2656:20 Unique 4.42, 5.08 A)
&rst
ixpk= 2656, nxpk= 20, iat= 877, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 56 LEU HA 56 LEU MDX 3.50 (# 2658:20 Unique 2.17, 3.85 A)
&rst
ixpk= 2658, nxpk= 20, iat= 879, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 15 THR HB 56 LEU MDX 4.50 (# 2659:20 Unique 2.71, 4.73 A)
&rst
ixpk= 2659, nxpk= 20, iat= 202, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 16 LEU HA 56 LEU MDX 4.50 (# 2660:20 Unique 2.98, 4.56 A)
&rst
ixpk= 2660, nxpk= 20, iat= 214, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 60 HIS HB+ 56 LEU MDX 4.50 (# 2661:20 Unique 2.34, 3.87 A)
&rst
ixpk= 2661, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 943, 944,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 0 AMB 20-2:2662 56 LEU MDX 5.50 (# 2662:20 Single Ambig)
&rst
ixpk= 2662, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 216, 217, 265, 266,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 0 AMB 20-2:2663 56 LEU MDX 2.80 (# 2663:20 Single Ambig)
&rst
ixpk= 2663, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1=1156,1157,1158,1160,1161,1162, 962, 963, 964, 966,
967, 968, 962, 963, 964, 966, 967, 968, 221, 222,
223, 225, 226, 227,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 57 THR HN 56 LEU MDX 5.50 (# 2664:20 Unique 3.30, 4.19 A)
&rst
ixpk= 2664, nxpk= 20, iat= 896, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 16 LEU HN 56 LEU MDX 5.50 (# 2665:20 Unique 3.45, 5.36 A)
&rst
ixpk= 2665, nxpk= 20, iat= 212, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 0 AMB 20-2:2666 56 LEU MDX 4.50 (# 2666:20 Single Ambig)
&rst
ixpk= 2666, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 684, 688, 682, 690,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 61 VAL HA 56 LEU MDX 5.50 (# 2667:20 Unique 3.84, 5.35 A)
&rst
ixpk= 2667, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 56 LEU HB+ 56 LEU MDX 2.80 (# 2668:20 Unique 2.38, 3.30 A)
&rst
ixpk= 2668, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 881, 882,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 75 VAL MGX 56 LEU MDX 5.50 (# 2670:20 Unique 2.60, 5.96 A)
&rst
ixpk= 2670, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1156,1157,1158,1160,1161,1162,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 0 AMB 20-2:2671 85 LEU HG 5.50 (# 2671:20 Single Ambig)
&rst
ixpk= 2671, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1459,1460,1461,1329,1330,1331,1333,1334,1335,
&end
#
# 95 ILE HN 94 THR HB 3.50 (# 2673:20 Unique 2.29, 2.52 A)
&rst
ixpk= 2673, nxpk= 20, iat=1453,1443, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 98 SER HN 94 THR HB 3.50 (# 2674:20 Unique 2.50, 3.02 A)
&rst
ixpk= 2674, nxpk= 20, iat=1498,1443, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 THR HA 94 THR HB 2.80 (# 2675:20 Unique 2.53, 2.58 A)
&rst
ixpk= 2675, nxpk= 20, iat=1441,1443, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:2677 94 THR HB 5.50 (# 2677:20 Single Ambig)
&rst
ixpk= 2677, nxpk= 20, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1511,1502,1503,
&end
#
# 97 GLY HA+ 94 THR HB 4.50 (# 2678:20 Unique 2.39, 3.62 A)
&rst
ixpk= 2678, nxpk= 20, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1493,1494,
&end
#
# 0 AMB 20-2:2679 94 THR HB 5.50 (# 2679:20 Single Ambig)
&rst
ixpk= 2679, nxpk= 20, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1388,1389,1390,1384,1385,
&end
#
# 99 THR MG2 94 THR HB 5.50 (# 2680:20 Unique 4.27, 5.15 A)
&rst
ixpk= 2680, nxpk= 20, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1515,1516,1517,
&end
#
# 94 THR MG2 94 THR HB 2.80 (# 2681:20 Unique 2.39, 2.66 A)
&rst
ixpk= 2681, nxpk= 20, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1445,1446,1447,
&end
#
# 97 GLY HN 94 THR HB 4.50 (# 2682:20 Unique 2.89, 3.21 A)
&rst
ixpk= 2682, nxpk= 20, iat=1491,1443, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 76 LEU HN 76 LEU MDX 3.50 (# 2684:20 Unique 1.85, 3.93 A)
&rst
ixpk= 2684, nxpk= 20, iat=1166, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 40 THR HB 76 LEU MDX 5.50 (# 2686:20 Unique 5.31, 7.24 A)
&rst
ixpk= 2686, nxpk= 20, iat= 619, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 0 AMB 20-2:2688 76 LEU MDX 2.80 (# 2688:20 Single Ambig)
&rst
ixpk= 2688, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1173, 636,1170,1171,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 75 VAL HA 76 LEU MDX 5.50 (# 2691:20 Unique 4.88, 6.95 A)
&rst
ixpk= 2691, nxpk= 20, iat=1152, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 0 AMB 20-2:2692 76 LEU MDX 3.50 (# 2692:20 Single Ambig)
&rst
ixpk= 2692, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1=1156,1157,1158,1160,1161,1162, 621, 622, 623,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 0 AMB 20-2:2693 46 LEU MDX 5.50 (# 2693:20 Single Ambig)
&rst
ixpk= 2693, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 666, 667, 652, 653, 698, 699,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 46 LEU HN 46 LEU MDX 4.50 (# 2694:20 Unique 3.74, 4.53 A)
&rst
ixpk= 2694, nxpk= 20, iat= 708, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 46 LEU HA 46 LEU MDX 3.50 (# 2695:20 Unique 2.16, 3.85 A)
&rst
ixpk= 2695, nxpk= 20, iat= 710, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 0 AMB 20-2:2696 46 LEU MDX 5.50 (# 2696:20 Single Ambig)
&rst
ixpk= 2696, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 657, 658, 727,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 43 ASP HA 46 LEU MDX 2.80 (# 2697:20 Unique 2.34, 4.71 A)
&rst
ixpk= 2697, nxpk= 20, iat= 664, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 46 LEU HG 46 LEU MDX 2.80 (# 2698:20 Unique 2.45, 2.66 A)
&rst
ixpk= 2698, nxpk= 20, iat= 715, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 46 LEU HB+ 46 LEU MDX 2.80 (# 2699:20 Unique 2.42, 3.31 A)
&rst
ixpk= 2699, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 712, 713,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 111 VAL HN 67 LEU MDX 5.50 (# 2700:20 Unique 2.84, 4.32 A)
&rst
ixpk= 2700, nxpk= 20, iat=1699, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:2702 56 LEU MDX 5.50 (# 2702:20 Single Ambig)
&rst
ixpk= 2702, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 941, 873,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 41 LEU HA 56 LEU MDX 5.50 (# 2703:20 Unique 4.13, 6.43 A)
&rst
ixpk= 2703, nxpk= 20, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 0 AMB 20-2:2704 56 LEU MDX 3.50 (# 2704:20 Single Ambig)
&rst
ixpk= 2704, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 204, 205, 206, 216, 217,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 94 THR HN 94 THR HB 5.50 (# 2706:20 Unique 3.45, 3.55 A)
&rst
ixpk= 2706, nxpk= 20, iat=1439,1443, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 97 GLY HA- 94 THR HB 4.50 (# 2707:20 Unique 2.39, 3.62 A)
&rst
ixpk= 2707, nxpk= 20, iat= -1,1443, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1493,1494,
&end
#
# 76 LEU HA 76 LEU MDX 4.50 (# 2708:20 Unique 2.15, 3.68 A)
&rst
ixpk= 2708, nxpk= 20, iat=1168, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 41 LEU HN 76 LEU MDX 4.50 (# 2709:20 Unique 2.86, 4.68 A)
&rst
ixpk= 2709, nxpk= 20, iat= 629, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 0 AMB 20-2:2710 46 LEU MDX 5.50 (# 2710:20 Single Ambig)
&rst
ixpk= 2710, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 674, 648,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 49 MET ME 46 LEU MDX 4.50 (# 2711:20 Unique 2.68, 5.30 A)
&rst
ixpk= 2711, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 764, 765, 766,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 67 LEU HN 67 LEU MDX 3.50 (# 2712:20 Unique 3.73, 4.54 A)
&rst
ixpk= 2712, nxpk= 20, iat=1043, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:2713 67 LEU MDX 2.80 (# 2713:20 Single Ambig)
&rst
ixpk= 2713, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1647, 282,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 67 LEU HA 67 LEU MDX 2.80 (# 2714:20 Unique 2.11, 3.78 A)
&rst
ixpk= 2714, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 23 TYR HB- 67 LEU MDX 3.50 (# 2715:20 Unique 2.29, 3.98 A)
&rst
ixpk= 2715, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 337, 338,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 23 TYR HB+ 67 LEU MDX 3.50 (# 2716:20 Unique 2.29, 3.98 A)
&rst
ixpk= 2716, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 337, 338,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:2717 67 LEU MDX 2.80 (# 2717:20 Single Ambig)
&rst
ixpk= 2717, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1050, 284, 285, 286,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 111 VAL HA 67 LEU MDX 5.50 (# 2719:20 Unique 2.65, 4.59 A)
&rst
ixpk= 2719, nxpk= 20, iat=1701, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 24 ALA HN 67 LEU MDX 5.50 (# 2724:20 Unique 4.01, 5.53 A)
&rst
ixpk= 2724, nxpk= 20, iat= 354, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 23 TYR HN 67 LEU MDX 5.50 (# 2725:20 Unique 4.50, 6.16 A)
&rst
ixpk= 2725, nxpk= 20, iat= 333, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 86 LEU MDX 101 LEU MDY 4.50 (# 2726:20 Unique 2.46, 6.41 A)
&rst
ixpk= 2726, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1329,1330,1331,1333,1334,1335,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 0 AMB 20-2:2727 67 LEU MDX 5.50 (# 2727:20 Single Ambig)
&rst
ixpk= 2727, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 390,1073, 314,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:2728 0 AMB 20-1:2728 4.50 (# 2728:20 Double Ambig)
&rst
ixpk= 2728, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1542,1683,
igr2=1551,1552,1553,1555,1556,1557,1052,1053,1054,1056,
1057,1058,
&end
#
# 89 GLY HA- 101 LEU MDY 3.50 (# 2729:20 Unique 3.94, 6.20 A)
&rst
ixpk= 2729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1372,1373,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 101 LEU HA 101 LEU MDY 2.80 (# 2730:20 Unique 2.16, 3.91 A)
&rst
ixpk= 2730, nxpk= 20, iat=1544, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 0 AMB 20-2:2731 67 LEU MDX 2.80 (# 2731:20 Single Ambig)
&rst
ixpk= 2731, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1687,1644,1645,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:2732 0 AMB 20-1:2732 2.80 (# 2732:20 Double Ambig)
&rst
ixpk= 2732, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1=1305,1306,1047,1048,1546,1547, 251, 252, 253, 255,
256, 257,
igr2=1551,1552,1553,1555,1556,1557,1052,1053,1054,1056,
1057,1058,
&end
#
# 28 ASN HB- 96 LEU MDX 5.50 (# 2736:20 Unique 2.22, 4.61 A)
&rst
ixpk= 2736, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 413, 414,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 0 AMB 20-2:2738 96 LEU MDX 4.50 (# 2738:20 Single Ambig)
&rst
ixpk= 2738, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 364, 430,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 21 TRP HZ2 96 LEU MDX 5.50 (# 2739:20 Unique 3.99, 6.35 A)
&rst
ixpk= 2739, nxpk= 20, iat= 303, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 21 TRP HD1 96 LEU MDX 5.50 (# 2740:20 Unique 2.57, 4.71 A)
&rst
ixpk= 2740, nxpk= 20, iat= 298, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 28 ASN HB- 96 LEU MDX 5.50 (# 2741:20 Unique 2.22, 4.61 A)
&rst
ixpk= 2741, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 413, 414,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 102 GLU HG- 96 LEU MDX 4.50 (# 2742:20 Unique 4.86, 7.50 A)
&rst
ixpk= 2742, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1568,1569,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 23 TYR HD 71 THR HB 5.50 (# 2744:20 Unique 3.34, 5.59 A)
&rst
ixpk= 2744, nxpk= 20, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 341, 350,
&end
#
# 73 ILE HB 71 THR HB 5.50 (# 2747:20 Unique 2.90, 3.26 A)
&rst
ixpk= 2747, nxpk= 20, iat=1125,1104, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 71 THR MG2 71 THR HB 2.80 (# 2748:20 Unique 2.40, 2.66 A)
&rst
ixpk= 2748, nxpk= 20, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1106,1107,1108,
&end
#
# 73 ILE QD1 71 THR HB 3.50 (# 2749:20 Unique 2.15, 3.34 A)
&rst
ixpk= 2749, nxpk= 20, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1134,1135,1136,
&end
#
# 73 ILE HG1- 71 THR HB 5.50 (# 2750:20 Unique 2.19, 4.29 A)
&rst
ixpk= 2750, nxpk= 20, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1131,1132,
&end
#
# 26 VAL MGY 71 THR HB 3.50 (# 2751:20 Unique 2.27, 4.15 A)
&rst
ixpk= 2751, nxpk= 20, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 71 THR HN 71 THR HB 4.50 (# 2752:20 Unique 3.57, 3.60 A)
&rst
ixpk= 2752, nxpk= 20, iat=1100,1104, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 50 LYS HB- 50 LYS HG- 3.50 (# 2753:20 Unique 2.36, 2.75 A)
&rst
ixpk= 2753, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 774, 775,
igr2= 777, 778,
&end
#
# 50 LYS HN 50 LYS HG- 4.50 (# 2754:20 Unique 2.26, 4.01 A)
&rst
ixpk= 2754, nxpk= 20, iat= 770, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 777, 778,
&end
#
# 50 LYS HE- 50 LYS HG- 4.50 (# 2755:20 Unique 2.41, 3.15 A)
&rst
ixpk= 2755, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 783, 784,
igr2= 777, 778,
&end
#
# 50 LYS HB+ 50 LYS HG- 3.50 (# 2756:20 Unique 2.36, 2.75 A)
&rst
ixpk= 2756, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 774, 775,
igr2= 777, 778,
&end
#
# 50 LYS HD+ 50 LYS HG- 2.80 (# 2757:20 Unique 2.39, 2.71 A)
&rst
ixpk= 2757, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 780, 781,
igr2= 777, 778,
&end
#
# 50 LYS HA 50 LYS HG- 4.50 (# 2758:20 Unique 2.31, 2.83 A)
&rst
ixpk= 2758, nxpk= 20, iat= 772, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 777, 778,
&end
#
# 50 LYS HN 50 LYS HG+ 5.50 (# 2759:20 Unique 2.26, 4.01 A)
&rst
ixpk= 2759, nxpk= 20, iat= 770, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 777, 778,
&end
#
# 50 LYS HE- 50 LYS HG+ 4.50 (# 2760:20 Unique 2.41, 3.15 A)
&rst
ixpk= 2760, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 783, 784,
igr2= 777, 778,
&end
#
# 50 LYS HA 50 LYS HG+ 2.80 (# 2761:20 Unique 2.31, 2.83 A)
&rst
ixpk= 2761, nxpk= 20, iat= 772, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 777, 778,
&end
#
# 0 AMB 20-2:2763 101 LEU MDY 4.50 (# 2763:20 Single Ambig)
&rst
ixpk= 2763, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 309,1301,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 21 TRP HZ3 101 LEU MDY 2.80 (# 2764:20 Unique 2.18, 3.97 A)
&rst
ixpk= 2764, nxpk= 20, iat= 307, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 0 AMB 20-2:2765 101 LEU MDY 2.80 (# 2765:20 Single Ambig)
&rst
ixpk= 2765, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1549,1546,1547,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 85 LEU HG 101 LEU MDY 2.80 (# 2766:20 Unique 2.87, 4.41 A)
&rst
ixpk= 2766, nxpk= 20, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 95 ILE QD1 101 LEU MDY 2.80 (# 2767:20 Unique 3.09, 5.88 A)
&rst
ixpk= 2767, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1466,1467,1468,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 22 LEU MDX 101 LEU MDY 3.50 (# 2768:20 Unique 3.20, 6.40 A)
&rst
ixpk= 2768, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 323, 324, 325, 327, 328, 329,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 21 TRP HH2 101 LEU MDY 2.80 (# 2769:20 Unique 2.20, 4.72 A)
&rst
ixpk= 2769, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 0 AMB 20-2:2770 0 AMB 20-1:2770 5.50 (# 2770:20 Double Ambig)
&rst
ixpk= 2770, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1525, 900,
igr2=1551,1552,1553,1555,1556,1557, 638, 639, 640, 642,
643, 644,
&end
#
# 0 AMB 20-2:2771 41 LEU MDX 4.50 (# 2771:20 Single Ambig)
&rst
ixpk= 2771, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 703, 704, 956,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 57 THR HA 41 LEU MDX 4.50 (# 2772:20 Unique 2.23, 4.02 A)
&rst
ixpk= 2772, nxpk= 20, iat= 898, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 20-2:2773 41 LEU MDX 3.50 (# 2773:20 Single Ambig)
&rst
ixpk= 2773, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 912,1168,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 21 TRP HE1 96 LEU MDX 3.50 (# 2774:20 Unique 2.55, 4.56 A)
&rst
ixpk= 2774, nxpk= 20, iat= 300, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 96 LEU HB- 96 LEU MDX 2.80 (# 2775:20 Unique 2.37, 3.32 A)
&rst
ixpk= 2775, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1476,1477,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 96 LEU HB+ 96 LEU MDX 3.50 (# 2776:20 Unique 2.37, 3.32 A)
&rst
ixpk= 2776, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1476,1477,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 0 AMB 20-2:2777 96 LEU MDX 2.80 (# 2777:20 Single Ambig)
&rst
ixpk= 2777, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1= 358, 359, 360,1479, 368, 369, 370,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 96 LEU HN 96 LEU MDX 5.50 (# 2778:20 Unique 3.13, 5.03 A)
&rst
ixpk= 2778, nxpk= 20, iat=1472, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 96 LEU HA 96 LEU MDX 3.50 (# 2779:20 Unique 2.18, 3.85 A)
&rst
ixpk= 2779, nxpk= 20, iat=1474, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 25 ALA HA 96 LEU MDX 2.80 (# 2780:20 Unique 2.19, 3.73 A)
&rst
ixpk= 2780, nxpk= 20, iat= 366, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 28 ASN HB+ 96 LEU MDX 5.50 (# 2781:20 Unique 2.22, 4.61 A)
&rst
ixpk= 2781, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 413, 414,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 96 LEU HB+ 96 LEU MDX 3.50 (# 2782:20 Unique 2.37, 3.32 A)
&rst
ixpk= 2782, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1476,1477,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 76 LEU MDY 40 THR HB 5.50 (# 2787:20 Unique 5.31, 7.24 A)
&rst
ixpk= 2787, nxpk= 20, iat= -1, 619, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1175,1176,1177,1179,1180,1181,
&end
#
# 41 LEU HN 40 THR HB 3.50 (# 2788:20 Unique 3.25, 3.31 A)
&rst
ixpk= 2788, nxpk= 20, iat= 629, 619, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 43 ASP HN 40 THR HB 5.50 (# 2789:20 Unique 2.01, 2.21 A)
&rst
ixpk= 2789, nxpk= 20, iat= 662, 619, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 THR HA 40 THR HB 2.80 (# 2790:20 Unique 2.87, 2.90 A)
&rst
ixpk= 2790, nxpk= 20, iat= 617, 619, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 40 THR MG2 40 THR HB 2.80 (# 2792:20 Unique 2.43, 2.65 A)
&rst
ixpk= 2792, nxpk= 20, iat= -1, 619, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 621, 622, 623,
&end
#
# 0 AMB 20-2:2793 40 THR HB 4.50 (# 2793:20 Single Ambig)
&rst
ixpk= 2793, nxpk= 20, iat= -1, 619, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 648, 674,
&end
#
# 73 ILE HN 71 THR HB 5.50 (# 2794:20 Unique 2.87, 3.60 A)
&rst
ixpk= 2794, nxpk= 20, iat=1121,1104, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 LYS HB+ 83 LYS HG- 2.80 (# 2796:20 Unique 2.42, 2.76 A)
&rst
ixpk= 2796, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1268,1269,
igr2=1271,1272,
&end
#
# 83 LYS HE- 83 LYS HG- 2.80 (# 2797:20 Unique 2.43, 2.94 A)
&rst
ixpk= 2797, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1277,1278,
igr2=1271,1272,
&end
#
# 83 LYS HB- 83 LYS HG- 2.80 (# 2798:20 Unique 2.42, 2.76 A)
&rst
ixpk= 2798, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1268,1269,
igr2=1271,1272,
&end
#
# 0 AMB 20-2:2799 83 LYS HG- 2.80 (# 2799:20 Single Ambig)
&rst
ixpk= 2799, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1274,1275,1274,1275,
igr2=1271,1272,
&end
#
# 83 LYS HA 83 LYS HG- 2.80 (# 2800:20 Unique 2.31, 2.89 A)
&rst
ixpk= 2800, nxpk= 20, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1271,1272,
&end
#
# 47 VAL MGY 83 LYS HG- 2.80 (# 2801:20 Unique 2.23, 4.08 A)
&rst
ixpk= 2801, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1271,1272,
&end
#
# 102 GLU HA 101 LEU MDY 5.50 (# 2805:20 Unique 6.61, 7.60 A)
&rst
ixpk= 2805, nxpk= 20, iat=1563, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 0 AMB 20-2:2806 41 LEU MDX 5.50 (# 2806:20 Single Ambig)
&rst
ixpk= 2806, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 629, 896,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 20-2:2807 0 AMB 20-1:2807 5.50 (# 2807:20 Double Ambig)
&rst
ixpk= 2807, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1377, 648,
igr2=1551,1552,1553,1555,1556,1557, 638, 639, 640, 642,
643, 644,
&end
#
# 56 LEU HN 41 LEU MDX 5.50 (# 2808:20 Unique 4.27, 6.31 A)
&rst
ixpk= 2808, nxpk= 20, iat= 877, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 41 LEU HA 41 LEU MDX 2.80 (# 2809:20 Unique 2.14, 3.79 A)
&rst
ixpk= 2809, nxpk= 20, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 20-2:2810 0 AMB 20-1:2810 5.50 (# 2810:20 Double Ambig)
&rst
ixpk= 2810, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1384,1385, 917, 918,
igr2=1551,1552,1553,1555,1556,1557, 638, 639, 640, 642,
643, 644,
&end
#
# 0 AMB 20-2:2811 0 AMB 20-1:2811 2.80 (# 2811:20 Double Ambig)
&rst
ixpk= 2811, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.99, r4= 6.74,
igr1=1310,1311,1312,1314,1315,1316, 881, 882,
igr2=1551,1552,1553,1555,1556,1557, 638, 639, 640, 642,
643, 644,
&end
#
# 0 AMB 20-2:2812 41 LEU MDX 2.80 (# 2812:20 Single Ambig)
&rst
ixpk= 2812, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 633, 634, 636,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 20-2:2813 0 AMB 20-1:2813 2.80 (# 2813:20 Double Ambig)
&rst
ixpk= 2813, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1= 886, 887, 888, 890, 891, 892, 323, 324, 325, 327,
328, 329,
igr2= 638, 639, 640, 642, 643, 644,1551,1552,1553,1555,
1556,1557,
&end
#
# 0 AMB 20-2:2815 40 THR HB 5.50 (# 2815:20 Single Ambig)
&rst
ixpk= 2815, nxpk= 20, iat= -1, 619, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 666, 667, 652, 653,
&end
#
# 76 LEU MDX 40 THR HB 5.50 (# 2816:20 Unique 5.31, 7.24 A)
&rst
ixpk= 2816, nxpk= 20, iat= -1, 619, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1175,1176,1177,1179,1180,1181,
&end
#
# 0 AMB 20-2:2817 40 THR HB 4.50 (# 2817:20 Single Ambig)
&rst
ixpk= 2817, nxpk= 20, iat= -1, 619, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 633, 634, 636,1170,1171,
&end
#
# 59 ASP HN 57 THR HB 3.50 (# 2818:20 Unique 2.64, 2.67 A)
&rst
ixpk= 2818, nxpk= 20, iat= 927, 900, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 58 GLN HA 57 THR HB 5.50 (# 2819:20 Unique 4.66, 4.68 A)
&rst
ixpk= 2819, nxpk= 20, iat= 912, 900, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 GLN HB+ 57 THR HB 5.50 (# 2820:20 Unique 3.74, 4.27 A)
&rst
ixpk= 2820, nxpk= 20, iat= -1, 900, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 914, 915,
&end
#
# 44 PHE HA 83 LYS HG- 5.50 (# 2822:20 Unique 3.04, 4.61 A)
&rst
ixpk= 2822, nxpk= 20, iat= 676, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1271,1272,
&end
#
# 83 LYS HB- 83 LYS HG- 4.50 (# 2823:20 Unique 2.42, 2.76 A)
&rst
ixpk= 2823, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1268,1269,
igr2=1271,1272,
&end
#
# 0 AMB 20-2:2824 83 LYS HG- 2.80 (# 2824:20 Single Ambig)
&rst
ixpk= 2824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1274,1275,1274,1275,
igr2=1271,1272,
&end
#
# 0 AMB 20-2:2825 16 LEU MDX 2.80 (# 2825:20 Single Ambig)
&rst
ixpk= 2825, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1641,1642,1010,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 45 ASN HD2+ 41 LEU MDX 4.50 (# 2827:20 Unique 2.96, 5.85 A)
&rst
ixpk= 2827, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 703, 704,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 20-2:2828 41 LEU MDY 5.50 (# 2828:20 Single Ambig)
&rst
ixpk= 2828, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 629, 896,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 20-2:2829 41 LEU MDY 5.50 (# 2829:20 Single Ambig)
&rst
ixpk= 2829, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 648, 674,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 45 ASN HD2+ 41 LEU MDY 4.50 (# 2830:20 Unique 2.96, 5.85 A)
&rst
ixpk= 2830, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 703, 704,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 20-2:2831 41 LEU MDY 4.50 (# 2831:20 Single Ambig)
&rst
ixpk= 2831, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 703, 704, 956,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 57 THR HA 41 LEU MDY 4.50 (# 2832:20 Unique 2.23, 4.02 A)
&rst
ixpk= 2832, nxpk= 20, iat= 898, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 41 LEU HA 41 LEU MDY 2.80 (# 2833:20 Unique 2.14, 3.79 A)
&rst
ixpk= 2833, nxpk= 20, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 20-2:2834 41 LEU MDY 4.50 (# 2834:20 Single Ambig)
&rst
ixpk= 2834, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 912,1168,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 20-2:2835 41 LEU MDY 5.50 (# 2835:20 Single Ambig)
&rst
ixpk= 2835, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 917, 918, 960,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 56 LEU HB- 41 LEU MDY 2.80 (# 2836:20 Unique 2.39, 4.97 A)
&rst
ixpk= 2836, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 881, 882,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 20-2:2837 41 LEU MDY 2.80 (# 2837:20 Single Ambig)
&rst
ixpk= 2837, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 633, 634, 636,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 20-2:2838 41 LEU MDY 2.80 (# 2838:20 Single Ambig)
&rst
ixpk= 2838, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 44 PHE HD 41 LEU MDY 5.50 (# 2839:20 Unique 3.22, 7.20 A)
&rst
ixpk= 2839, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 682, 690,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 79 CYS HN 19 LEU MDY 4.50 (# 2841:20 Unique 3.58, 5.07 A)
&rst
ixpk= 2841, nxpk= 20, iat=1214, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 LEU HN 19 LEU MDY 3.50 (# 2842:20 Unique 3.56, 4.40 A)
&rst
ixpk= 2842, nxpk= 20, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 44 PHE HZ 19 LEU MDY 5.50 (# 2843:20 Unique 2.53, 3.92 A)
&rst
ixpk= 2843, nxpk= 20, iat= 686, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 78 MET HA 19 LEU MDY 5.50 (# 2844:20 Unique 4.35, 6.28 A)
&rst
ixpk= 2844, nxpk= 20, iat=1199, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 16 LEU HA 19 LEU MDY 5.50 (# 2845:20 Unique 2.47, 4.99 A)
&rst
ixpk= 2845, nxpk= 20, iat= 214, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 79 CYS HA 19 LEU MDY 2.80 (# 2846:20 Unique 2.38, 3.96 A)
&rst
ixpk= 2846, nxpk= 20, iat=1216, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 20-2:2847 19 LEU MDY 2.80 (# 2847:20 Single Ambig)
&rst
ixpk= 2847, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1204,1205, 265, 266,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 82 LEU HB- 19 LEU MDY 2.80 (# 2848:20 Unique 2.33, 4.52 A)
&rst
ixpk= 2848, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1249,1250,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 78 MET HG- 19 LEU MDY 2.80 (# 2849:20 Unique 2.27, 4.41 A)
&rst
ixpk= 2849, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1204,1205,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 LEU HG 19 LEU MDY 2.80 (# 2850:20 Unique 2.43, 2.66 A)
&rst
ixpk= 2850, nxpk= 20, iat= 268, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 20-2:2851 19 LEU MDY 2.80 (# 2851:20 Single Ambig)
&rst
ixpk= 2851, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1201,1202, 881, 882,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 82 LEU MDY 19 LEU MDY 3.50 (# 2852:20 Unique 3.04, 6.32 A)
&rst
ixpk= 2852, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1254,1255,1256,1258,1259,1260,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 15 THR MG2 19 LEU MDY 2.80 (# 2853:20 Unique 2.53, 5.05 A)
&rst
ixpk= 2853, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 204, 205, 206,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 20-2:2854 19 LEU MDY 2.80 (# 2854:20 Single Ambig)
&rst
ixpk= 2854, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1249,1250, 265, 266,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 82 LEU HG 19 LEU MDY 2.80 (# 2855:20 Unique 2.60, 4.26 A)
&rst
ixpk= 2855, nxpk= 20, iat=1252, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 58 GLN HN 57 THR HB 3.50 (# 2857:20 Unique 2.12, 2.16 A)
&rst
ixpk= 2857, nxpk= 20, iat= 910, 900, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 57 THR HA 57 THR HB 2.80 (# 2858:20 Unique 2.46, 2.47 A)
&rst
ixpk= 2858, nxpk= 20, iat= 898, 900, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 57 THR MG2 57 THR HB 2.80 (# 2859:20 Unique 2.39, 2.63 A)
&rst
ixpk= 2859, nxpk= 20, iat= -1, 900, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 902, 903, 904,
&end
#
# 41 LEU MDX 57 THR HB 5.50 (# 2860:20 Unique 4.49, 6.14 A)
&rst
ixpk= 2860, nxpk= 20, iat= -1, 900, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 18 VAL HN 15 THR MG2 5.50 (# 2862:20 Unique 5.29, 5.90 A)
&rst
ixpk= 2862, nxpk= 20, iat= 245, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 204, 205, 206,
&end
#
# 53 TYR HB- 15 THR MG2 5.50 (# 2863:20 Unique 3.16, 4.55 A)
&rst
ixpk= 2863, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 831, 832,
igr2= 204, 205, 206,
&end
#
# 16 LEU HN 16 LEU MDX 5.50 (# 2864:20 Unique 4.46, 5.11 A)
&rst
ixpk= 2864, nxpk= 20, iat= 212, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 0 AMB 20-2:2866 16 LEU MDX 5.50 (# 2866:20 Single Ambig)
&rst
ixpk= 2866, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 240, 241, 939,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 64 LEU HN 16 LEU MDX 4.50 (# 2867:20 Unique 3.44, 5.32 A)
&rst
ixpk= 2867, nxpk= 20, iat=1003, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 60 HIS HD2 16 LEU MDX 3.50 (# 2868:20 Unique 2.34, 3.62 A)
&rst
ixpk= 2868, nxpk= 20, iat= 952, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 60 HIS HA 16 LEU MDX 3.50 (# 2869:20 Unique 2.36, 4.04 A)
&rst
ixpk= 2869, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 0 AMB 20-2:2870 16 LEU MDX 4.50 (# 2870:20 Single Ambig)
&rst
ixpk= 2870, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1005, 202,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 16 LEU HA 16 LEU MDX 2.80 (# 2871:20 Unique 2.27, 4.00 A)
&rst
ixpk= 2871, nxpk= 20, iat= 214, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 60 HIS HB+ 16 LEU MDX 3.50 (# 2872:20 Unique 2.27, 4.86 A)
&rst
ixpk= 2872, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 943, 944,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 63 ILE HB 16 LEU MDX 3.50 (# 2873:20 Unique 2.28, 3.64 A)
&rst
ixpk= 2873, nxpk= 20, iat= 988, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 107 PRO HG+ 16 LEU MDX 2.80 (# 2874:20 Unique 2.20, 3.77 A)
&rst
ixpk= 2874, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1641,1642,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 106 THR MG2 16 LEU MDX 2.80 (# 2875:20 Unique 3.02, 6.29 A)
&rst
ixpk= 2875, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1629,1630,1631,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 63 ILE HN 16 LEU MDX 5.50 (# 2876:20 Unique 4.32, 5.68 A)
&rst
ixpk= 2876, nxpk= 20, iat= 984, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 82 LEU HN 19 LEU MDY 5.50 (# 2877:20 Unique 3.97, 5.80 A)
&rst
ixpk= 2877, nxpk= 20, iat=1245, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 44 PHE HE 19 LEU MDY 4.50 (# 2878:20 Unique 2.60, 4.92 A)
&rst
ixpk= 2878, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 684, 688,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 23 TYR HE 19 LEU MDY 5.50 (# 2879:20 Unique 4.11, 7.24 A)
&rst
ixpk= 2879, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 343, 348,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 LEU HN 15 THR MG2 5.50 (# 2880:20 Unique 4.45, 5.34 A)
&rst
ixpk= 2880, nxpk= 20, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 204, 205, 206,
&end
#
# 54 GLU HN 15 THR MG2 5.50 (# 2881:20 Unique 4.69, 5.12 A)
&rst
ixpk= 2881, nxpk= 20, iat= 848, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 204, 205, 206,
&end
#
# 16 LEU HN 15 THR MG2 3.50 (# 2882:20 Unique 3.86, 4.44 A)
&rst
ixpk= 2882, nxpk= 20, iat= 212, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 204, 205, 206,
&end
#
# 15 THR HN 15 THR MG2 4.50 (# 2884:20 Unique 4.19, 4.38 A)
&rst
ixpk= 2884, nxpk= 20, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 204, 205, 206,
&end
#
# 53 TYR HD 15 THR MG2 4.50 (# 2885:20 Unique 2.32, 5.12 A)
&rst
ixpk= 2885, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 835, 844,
igr2= 204, 205, 206,
&end
#
# 44 PHE HE 15 THR MG2 3.50 (# 2886:20 Unique 2.37, 4.24 A)
&rst
ixpk= 2886, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 684, 688,
igr2= 204, 205, 206,
&end
#
# 44 PHE HZ 15 THR MG2 2.80 (# 2887:20 Unique 3.07, 3.40 A)
&rst
ixpk= 2887, nxpk= 20, iat= 686, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 204, 205, 206,
&end
#
# 53 TYR HE 15 THR MG2 4.50 (# 2888:20 Unique 3.70, 6.29 A)
&rst
ixpk= 2888, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 837, 842,
igr2= 204, 205, 206,
&end
#
# 15 THR HB 15 THR MG2 2.80 (# 2889:20 Unique 2.45, 2.66 A)
&rst
ixpk= 2889, nxpk= 20, iat= 202, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 204, 205, 206,
&end
#
# 16 LEU HA 15 THR MG2 5.50 (# 2890:20 Unique 4.28, 5.28 A)
&rst
ixpk= 2890, nxpk= 20, iat= 214, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 204, 205, 206,
&end
#
# 56 LEU HB- 15 THR MG2 3.50 (# 2892:20 Unique 2.60, 4.32 A)
&rst
ixpk= 2892, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 881, 882,
igr2= 204, 205, 206,
&end
#
# 0 AMB 20-2:2893 15 THR MG2 2.80 (# 2893:20 Single Ambig)
&rst
ixpk= 2893, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 747, 748, 749,1252,
igr2= 204, 205, 206,
&end
#
# 0 AMB 20-2:2894 15 THR MG2 2.80 (# 2894:20 Single Ambig)
&rst
ixpk= 2894, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
igr2= 204, 205, 206,
&end
#
# 56 LEU MDX 15 THR MG2 2.80 (# 2895:20 Unique 2.40, 4.81 A)
&rst
ixpk= 2895, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 886, 887, 888, 890, 891, 892,
igr2= 204, 205, 206,
&end
#
# 75 VAL HN 75 VAL MGX 2.80 (# 2896:20 Unique 2.00, 3.73 A)
&rst
ixpk= 2896, nxpk= 20, iat=1150, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 68 SER HN 75 VAL MGX 5.50 (# 2897:20 Unique 4.36, 6.29 A)
&rst
ixpk= 2897, nxpk= 20, iat=1062, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 65 GLY HN 75 VAL MGX 5.50 (# 2898:20 Unique 4.37, 6.18 A)
&rst
ixpk= 2898, nxpk= 20, iat=1022, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 23 TYR HH 75 VAL MGX 5.50 (# 2900:20 Unique 2.13, 4.78 A)
&rst
ixpk= 2900, nxpk= 20, iat= 346, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 23 TYR HE 75 VAL MGX 4.50 (# 2901:20 Unique 2.97, 5.71 A)
&rst
ixpk= 2901, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 343, 348,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 75 VAL HA 75 VAL MGX 2.80 (# 2902:20 Unique 2.43, 3.13 A)
&rst
ixpk= 2902, nxpk= 20, iat=1152, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 68 SER HB- 75 VAL MGX 2.80 (# 2903:20 Unique 2.53, 5.50 A)
&rst
ixpk= 2903, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1066,1067,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 61 VAL HA 75 VAL MGX 3.50 (# 2904:20 Unique 2.21, 3.39 A)
&rst
ixpk= 2904, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 0 AMB 20-2:2905 75 VAL MGX 2.80 (# 2905:20 Single Ambig)
&rst
ixpk= 2905, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1007,1008,1154,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 64 LEU HB+ 75 VAL MGX 2.80 (# 2907:20 Unique 2.32, 4.03 A)
&rst
ixpk= 2907, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1007,1008,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 0 AMB 20-2:2909 75 VAL MGX 3.50 (# 2909:20 Single Ambig)
&rst
ixpk= 2909, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,1175,1176,1177,1179,1180,1181,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 64 LEU HN 75 VAL MGX 4.50 (# 2913:20 Unique 4.05, 5.46 A)
&rst
ixpk= 2913, nxpk= 20, iat=1003, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 0 AMB 20-2:2914 26 VAL MGX 3.50 (# 2914:20 Single Ambig)
&rst
ixpk= 2914, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 390, 364,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 26 VAL HN 26 VAL MGX 2.80 (# 2915:20 Unique 2.06, 3.79 A)
&rst
ixpk= 2915, nxpk= 20, iat= 374, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 23 TYR HA 26 VAL MGX 2.80 (# 2917:20 Unique 2.81, 4.33 A)
&rst
ixpk= 2917, nxpk= 20, iat= 335, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 31 ARG HA 26 VAL MGX 3.50 (# 2918:20 Unique 2.35, 4.44 A)
&rst
ixpk= 2918, nxpk= 20, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 26 VAL HB 26 VAL MGX 2.80 (# 2919:20 Unique 2.36, 2.66 A)
&rst
ixpk= 2919, nxpk= 20, iat= 378, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 33 PHE HE 26 VAL MGX 4.50 (# 2920:20 Unique 2.96, 6.06 A)
&rst
ixpk= 2920, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 500, 504,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 71 THR HA 26 VAL MGX 5.50 (# 2921:20 Unique 3.68, 5.78 A)
&rst
ixpk= 2921, nxpk= 20, iat=1102, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 26 VAL HA 26 VAL MGX 2.80 (# 2922:20 Unique 2.49, 3.17 A)
&rst
ixpk= 2922, nxpk= 20, iat= 376, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 31 ARG HB- 26 VAL MGX 4.50 (# 2923:20 Unique 2.34, 4.22 A)
&rst
ixpk= 2923, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 446, 447,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 20-2:2924 26 VAL MGX 3.50 (# 2924:20 Single Ambig)
&rst
ixpk= 2924, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 368, 369, 370, 318, 319,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 73 ILE QD1 26 VAL MGX 2.80 (# 2926:20 Unique 2.25, 4.31 A)
&rst
ixpk= 2926, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1134,1135,1136,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 34 LEU MDX 26 VAL MGX 2.80 (# 2927:20 Unique 2.11, 4.96 A)
&rst
ixpk= 2927, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 519, 520, 521, 523, 524, 525,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 20-2:2928 82 LEU MDX 4.50 (# 2928:20 Single Ambig)
&rst
ixpk= 2928, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1216,1322, 316,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 0 AMB 20-2:2929 82 LEU MDX 2.80 (# 2929:20 Single Ambig)
&rst
ixpk= 2929, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1305,1306,1249,1250,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 0 AMB 20-2:2930 82 LEU MDX 2.80 (# 2930:20 Single Ambig)
&rst
ixpk= 2930, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 251, 252, 253, 255, 256, 257,1305,1306,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 22 LEU MDY 82 LEU MDX 2.80 (# 2931:20 Unique 2.18, 5.70 A)
&rst
ixpk= 2931, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 323, 324, 325, 327, 328, 329,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 85 LEU HG 82 LEU MDX 3.50 (# 2932:20 Unique 3.60, 5.63 A)
&rst
ixpk= 2932, nxpk= 20, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 86 LEU MDY 82 LEU MDX 3.50 (# 2933:20 Unique 2.18, 4.96 A)
&rst
ixpk= 2933, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1329,1330,1331,1333,1334,1335,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 86 LEU MDX 82 LEU MDX 3.50 (# 2934:20 Unique 2.18, 4.96 A)
&rst
ixpk= 2934, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1329,1330,1331,1333,1334,1335,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 22 LEU MDX 82 LEU MDX 5.50 (# 2935:20 Unique 2.18, 5.70 A)
&rst
ixpk= 2935, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 323, 324, 325, 327, 328, 329,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 90 MET HN 85 LEU MDY 5.50 (# 2936:20 Unique 2.39, 5.40 A)
&rst
ixpk= 2936, nxpk= 20, iat=1377, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 22 LEU MDX 85 LEU MDY 5.50 (# 2937:20 Unique 2.71, 6.02 A)
&rst
ixpk= 2937, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 323, 324, 325, 327, 328, 329,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 86 LEU HN 86 LEU MDX 3.50 (# 2938:20 Unique 2.24, 4.59 A)
&rst
ixpk= 2938, nxpk= 20, iat=1320, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 0 AMB 20-2:2939 86 LEU MDX 4.50 (# 2939:20 Single Ambig)
&rst
ixpk= 2939, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 792,1339, 770,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 51 TYR HD 86 LEU MDX 3.50 (# 2940:20 Unique 2.38, 4.83 A)
&rst
ixpk= 2940, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 800, 809,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 44 PHE HE 86 LEU MDX 4.50 (# 2941:20 Unique 3.51, 6.84 A)
&rst
ixpk= 2941, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 684, 688,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 0 AMB 20-2:2943 86 LEU MDX 4.50 (# 2943:20 Single Ambig)
&rst
ixpk= 2943, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 837, 842, 802, 807,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 83 LYS HA 86 LEU MDX 3.50 (# 2944:20 Unique 2.32, 4.78 A)
&rst
ixpk= 2944, nxpk= 20, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 0 AMB 20-2:2945 86 LEU MDX 2.80 (# 2945:20 Single Ambig)
&rst
ixpk= 2945, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 745, 796, 797,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 51 TYR HB+ 86 LEU MDX 5.50 (# 2946:20 Unique 2.59, 4.40 A)
&rst
ixpk= 2946, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 796, 797,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 82 LEU MDY 86 LEU MDX 3.50 (# 2947:20 Unique 2.18, 4.96 A)
&rst
ixpk= 2947, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1254,1255,1256,1258,1259,1260,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 0 AMB 20-2:2948 86 LEU MDX 2.80 (# 2948:20 Single Ambig)
&rst
ixpk= 2948, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1327,1324,1325,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 0 AMB 20-2:2949 86 LEU MDX 3.50 (# 2949:20 Single Ambig)
&rst
ixpk= 2949, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1= 733, 734, 735, 737, 738, 739, 747, 748, 749,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 0 AMB 20-2:2950 86 LEU MDX 2.80 (# 2950:20 Single Ambig)
&rst
ixpk= 2950, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1= 733, 734, 735, 737, 738, 739,1551,1552,1553,1555,
1556,1557,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 0 AMB 20-2:2958 82 LEU MDX 3.50 (# 2958:20 Single Ambig)
&rst
ixpk= 2958, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1320,1245,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 0 AMB 20-2:2959 82 LEU MDX 4.50 (# 2959:20 Single Ambig)
&rst
ixpk= 2959, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1301, 309,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 44 PHE HE 82 LEU MDX 4.50 (# 2960:20 Unique 2.13, 5.44 A)
&rst
ixpk= 2960, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 684, 688,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 53 TYR HE 82 LEU MDX 4.50 (# 2961:20 Unique 3.03, 5.56 A)
&rst
ixpk= 2961, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 837, 842,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 82 LEU HA 82 LEU MDX 2.80 (# 2962:20 Unique 2.13, 3.51 A)
&rst
ixpk= 2962, nxpk= 20, iat=1247, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 0 AMB 20-2:2963 85 LEU MDY 5.50 (# 2963:20 Single Ambig)
&rst
ixpk= 2963, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1245,1320,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 33 PHE HD 85 LEU MDY 5.50 (# 2964:20 Unique 2.41, 5.54 A)
&rst
ixpk= 2964, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 498, 506,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 0 AMB 20-2:2965 85 LEU MDY 3.50 (# 2965:20 Single Ambig)
&rst
ixpk= 2965, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1301,1365,1366,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 90 MET HA 85 LEU MDY 3.50 (# 2968:20 Unique 2.12, 4.27 A)
&rst
ixpk= 2968, nxpk= 20, iat=1379, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 0 AMB 20-2:2969 85 LEU MDY 2.80 (# 2969:20 Single Ambig)
&rst
ixpk= 2969, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1303,1372,1373,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 0 AMB 20-2:2970 85 LEU MDY 2.80 (# 2970:20 Single Ambig)
&rst
ixpk= 2970, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 494, 495,1381,1382,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 90 MET HB- 85 LEU MDY 3.50 (# 2971:20 Unique 2.35, 5.88 A)
&rst
ixpk= 2971, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1381,1382,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 85 LEU HB- 85 LEU MDY 2.80 (# 2972:20 Unique 2.36, 3.58 A)
&rst
ixpk= 2972, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1305,1306,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 85 LEU HB+ 85 LEU MDY 2.80 (# 2974:20 Unique 2.36, 3.58 A)
&rst
ixpk= 2974, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1305,1306,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 0 AMB 20-2:2975 85 LEU MDY 2.80 (# 2975:20 Single Ambig)
&rst
ixpk= 2975, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 494, 495, 323, 324, 325, 327, 328, 329,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 85 LEU HG 85 LEU MDY 2.80 (# 2976:20 Unique 2.32, 2.66 A)
&rst
ixpk= 2976, nxpk= 20, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 95 ILE QD1 85 LEU MDY 3.50 (# 2977:20 Unique 2.13, 4.14 A)
&rst
ixpk= 2977, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1466,1467,1468,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 96 LEU HN 96 LEU MDY 4.50 (# 2978:20 Unique 3.13, 5.03 A)
&rst
ixpk= 2978, nxpk= 20, iat=1472, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 28 ASN HD2+ 96 LEU MDY 5.50 (# 2979:20 Unique 2.67, 4.64 A)
&rst
ixpk= 2979, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 418, 419,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 96 LEU HB- 96 LEU MDY 2.80 (# 2980:20 Unique 2.37, 3.32 A)
&rst
ixpk= 2980, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1476,1477,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 0 AMB 20-2:2981 96 LEU MDY 2.80 (# 2981:20 Single Ambig)
&rst
ixpk= 2981, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1479, 368, 369, 370,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 0 AMB 20-2:2983 96 LEU MDY 5.50 (# 2983:20 Single Ambig)
&rst
ixpk= 2983, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 409, 309,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 96 LEU HA 96 LEU MDY 2.80 (# 2984:20 Unique 2.18, 3.85 A)
&rst
ixpk= 2984, nxpk= 20, iat=1474, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 28 ASN HB- 96 LEU MDY 3.50 (# 2985:20 Unique 2.22, 4.61 A)
&rst
ixpk= 2985, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 413, 414,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 28 ASN HB+ 96 LEU MDY 2.80 (# 2986:20 Unique 2.22, 4.61 A)
&rst
ixpk= 2986, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 413, 414,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 96 LEU HB+ 96 LEU MDY 2.80 (# 2987:20 Unique 2.37, 3.32 A)
&rst
ixpk= 2987, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1476,1477,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 25 ALA HA 96 LEU MDY 2.80 (# 2988:20 Unique 2.19, 3.73 A)
&rst
ixpk= 2988, nxpk= 20, iat= 366, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 38 THR HN 38 THR HB 3.50 (# 2991:20 Unique 3.51, 3.53 A)
&rst
ixpk= 2991, nxpk= 20, iat= 587, 591, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 39 THR HN 38 THR HB 4.50 (# 2992:20 Unique 3.91, 4.18 A)
&rst
ixpk= 2992, nxpk= 20, iat= 601, 591, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:2994 38 THR HB 5.50 (# 2994:20 Single Ambig)
&rst
ixpk= 2994, nxpk= 20, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1144,1145,1146,1229,1230,1231,
&end
#
# 38 THR MG2 38 THR HB 2.80 (# 2995:20 Unique 2.38, 2.66 A)
&rst
ixpk= 2995, nxpk= 20, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 593, 594, 595,
&end
#
# 43 ASP HA 46 LEU MDY 4.50 (# 2997:20 Unique 2.34, 4.71 A)
&rst
ixpk= 2997, nxpk= 20, iat= 664, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 0 AMB 20-2:2999 96 LEU MDY 5.50 (# 2999:20 Single Ambig)
&rst
ixpk= 2999, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 364, 430,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 97 GLY HN 96 LEU MDY 5.50 (# 3000:20 Unique 4.28, 6.20 A)
&rst
ixpk= 3000, nxpk= 20, iat=1491, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 30 ASP HB+ 96 LEU MDY 5.50 (# 3001:20 Unique 2.56, 5.93 A)
&rst
ixpk= 3001, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 434, 435,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 0 AMB 20-2:3004 18 VAL MGX 5.50 (# 3004:20 Single Ambig)
&rst
ixpk= 3004, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 263,1247, 167,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 21 TRP HE3 18 VAL MGX 3.50 (# 3005:20 Unique 2.52, 4.37 A)
&rst
ixpk= 3005, nxpk= 20, iat= 309, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 21 TRP HZ3 18 VAL MGX 5.50 (# 3007:20 Unique 3.00, 5.08 A)
&rst
ixpk= 3007, nxpk= 20, iat= 307, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 53 TYR HE 18 VAL MGX 3.50 (# 3008:20 Unique 2.14, 5.15 A)
&rst
ixpk= 3008, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 837, 842,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 18 VAL HA 18 VAL MGX 2.80 (# 3009:20 Unique 2.36, 3.13 A)
&rst
ixpk= 3009, nxpk= 20, iat= 247, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 18 VAL HB 18 VAL MGX 2.80 (# 3010:20 Unique 2.37, 2.67 A)
&rst
ixpk= 3010, nxpk= 20, iat= 249, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 0 AMB 20-2:3011 18 VAL MGX 3.50 (# 3011:20 Single Ambig)
&rst
ixpk= 3011, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 321,1249,1250,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 13 THR MG2 18 VAL MGX 2.80 (# 3014:20 Unique 2.33, 4.47 A)
&rst
ixpk= 3014, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 171, 172, 173,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 22 LEU MDX 18 VAL MGX 4.50 (# 3015:20 Unique 3.64, 6.95 A)
&rst
ixpk= 3015, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 323, 324, 325, 327, 328, 329,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 19 LEU HN 18 VAL MGX 4.50 (# 3016:20 Unique 3.72, 4.66 A)
&rst
ixpk= 3016, nxpk= 20, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 21 TRP HB+ 18 VAL MGX 5.50 (# 3017:20 Unique 3.67, 5.68 A)
&rst
ixpk= 3017, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 294, 295,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 101 LEU HB- 18 VAL MGX 3.50 (# 3018:20 Unique 2.35, 4.22 A)
&rst
ixpk= 3018, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1546,1547,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 82 LEU MDX 18 VAL MGX 2.80 (# 3019:20 Unique 2.21, 5.32 A)
&rst
ixpk= 3019, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1254,1255,1256,1258,1259,1260,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 46 LEU HN 46 LEU MDY 4.50 (# 3020:20 Unique 3.74, 4.53 A)
&rst
ixpk= 3020, nxpk= 20, iat= 708, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 46 LEU HA 46 LEU MDY 2.80 (# 3021:20 Unique 2.16, 3.85 A)
&rst
ixpk= 3021, nxpk= 20, iat= 710, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 46 LEU HG 46 LEU MDY 2.80 (# 3022:20 Unique 2.45, 2.66 A)
&rst
ixpk= 3022, nxpk= 20, iat= 715, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 46 LEU HB+ 46 LEU MDY 2.80 (# 3023:20 Unique 2.42, 3.31 A)
&rst
ixpk= 3023, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 712, 713,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 0 AMB 20-2:3024 46 LEU MDY 5.50 (# 3024:20 Single Ambig)
&rst
ixpk= 3024, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 657, 658, 727,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 53 TYR HD 18 VAL MGX 5.50 (# 3026:20 Unique 3.92, 6.71 A)
&rst
ixpk= 3026, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 835, 844,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 0 AMB 20-2:3027 18 VAL MGX 5.50 (# 3027:20 Single Ambig)
&rst
ixpk= 3027, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 290, 165,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 49 MET ME 46 LEU MDY 2.80 (# 3029:20 Unique 2.68, 5.30 A)
&rst
ixpk= 3029, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 764, 765, 766,
igr2= 717, 718, 719, 721, 722, 723,
&end
#
# 86 LEU MDX 47 VAL MGX 5.50 (# 3035:20 Unique 2.31, 6.54 A)
&rst
ixpk= 3035, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1329,1330,1331,1333,1334,1335,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 70 GLN HE2+ 111 VAL MGX 4.50 (# 3036:20 Unique 2.60, 5.56 A)
&rst
ixpk= 3036, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1095,1096,
igr2=1705,1706,1707,1709,1710,1711,
&end
#
# 0 AMB 20-2:3037 75 VAL MGY 5.50 (# 3037:20 Single Ambig)
&rst
ixpk= 3037, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 974,1199,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 79 CYS HN 75 VAL MGY 5.50 (# 3038:20 Unique 4.11, 5.68 A)
&rst
ixpk= 3038, nxpk= 20, iat=1214, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 23 TYR HB+ 67 LEU MDY 3.50 (# 3039:20 Unique 2.29, 3.98 A)
&rst
ixpk= 3039, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 337, 338,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:3040 67 LEU MDY 5.50 (# 3040:20 Single Ambig)
&rst
ixpk= 3040, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1087,1088,1090,1091,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:3041 67 LEU MDY 4.50 (# 3041:20 Single Ambig)
&rst
ixpk= 3041, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1087,1088,1007,1008,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:3042 67 LEU MDY 5.50 (# 3042:20 Single Ambig)
&rst
ixpk= 3042, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1036,1037, 400, 401,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 67 LEU HB- 67 LEU MDY 3.50 (# 3043:20 Unique 2.28, 3.31 A)
&rst
ixpk= 3043, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1047,1048,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 24 ALA HN 67 LEU MDY 5.50 (# 3046:20 Unique 4.01, 5.53 A)
&rst
ixpk= 3046, nxpk= 20, iat= 354, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 23 TYR HN 67 LEU MDY 5.50 (# 3047:20 Unique 4.50, 6.16 A)
&rst
ixpk= 3047, nxpk= 20, iat= 333, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 111 VAL HN 67 LEU MDY 5.50 (# 3048:20 Unique 2.84, 4.32 A)
&rst
ixpk= 3048, nxpk= 20, iat=1699, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 68 SER HN 67 LEU MDY 5.50 (# 3049:20 Unique 4.39, 5.56 A)
&rst
ixpk= 3049, nxpk= 20, iat=1062, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 67 LEU HN 67 LEU MDY 3.50 (# 3050:20 Unique 3.73, 4.54 A)
&rst
ixpk= 3050, nxpk= 20, iat=1043, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 70 GLN HE2+ 67 LEU MDY 5.50 (# 3051:20 Unique 2.45, 6.00 A)
&rst
ixpk= 3051, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1095,1096,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 23 TYR HD 67 LEU MDY 5.50 (# 3052:20 Unique 3.21, 5.50 A)
&rst
ixpk= 3052, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 341, 350,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 67 LEU HA 67 LEU MDY 2.80 (# 3053:20 Unique 2.11, 3.78 A)
&rst
ixpk= 3053, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 111 VAL HA 67 LEU MDY 3.50 (# 3054:20 Unique 2.65, 4.59 A)
&rst
ixpk= 3054, nxpk= 20, iat=1701, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 23 TYR HB- 67 LEU MDY 4.50 (# 3055:20 Unique 2.29, 3.98 A)
&rst
ixpk= 3055, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 337, 338,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 66 PRO HB- 67 LEU MDY 5.50 (# 3056:20 Unique 4.12, 6.40 A)
&rst
ixpk= 3056, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1036,1037,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 67 LEU HG 67 LEU MDY 2.80 (# 3057:20 Unique 2.39, 2.66 A)
&rst
ixpk= 3057, nxpk= 20, iat=1050, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 54 GLU HN 12 THR HB 4.50 (# 3061:20 Unique 2.88, 3.30 A)
&rst
ixpk= 3061, nxpk= 20, iat= 848, 155, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 THR HN 12 THR HB 3.50 (# 3062:20 Unique 2.91, 3.29 A)
&rst
ixpk= 3062, nxpk= 20, iat= 151, 155, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 THR HA 12 THR HB 2.80 (# 3063:20 Unique 2.71, 2.79 A)
&rst
ixpk= 3063, nxpk= 20, iat= 153, 155, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 12 THR MG2 12 THR HB 2.80 (# 3066:20 Unique 2.34, 2.63 A)
&rst
ixpk= 3066, nxpk= 20, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 157, 158, 159,
&end
#
# 27 ILE HN 71 THR MG2 4.50 (# 3067:20 Unique 3.68, 4.20 A)
&rst
ixpk= 3067, nxpk= 20, iat= 390, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1106,1107,1108,
&end
#
# 24 ALA HN 71 THR MG2 5.50 (# 3068:20 Unique 5.88, 6.73 A)
&rst
ixpk= 3068, nxpk= 20, iat= 354, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1106,1107,1108,
&end
#
# 72 GLY HN 71 THR MG2 4.50 (# 3069:20 Unique 4.60, 5.12 A)
&rst
ixpk= 3069, nxpk= 20, iat=1114, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1106,1107,1108,
&end
#
# 26 VAL HN 71 THR MG2 5.50 (# 3070:20 Unique 4.73, 5.65 A)
&rst
ixpk= 3070, nxpk= 20, iat= 374, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1106,1107,1108,
&end
#
# 0 AMB 20-2:3071 71 THR MG2 5.50 (# 3071:20 Single Ambig)
&rst
ixpk= 3071, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1083, 409,
igr2=1106,1107,1108,
&end
#
# 73 ILE HN 71 THR MG2 5.50 (# 3072:20 Unique 4.73, 5.43 A)
&rst
ixpk= 3072, nxpk= 20, iat=1121, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1106,1107,1108,
&end
#
# 23 TYR HD 71 THR MG2 3.50 (# 3073:20 Unique 2.23, 5.08 A)
&rst
ixpk= 3073, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 341, 350,
igr2=1106,1107,1108,
&end
#
# 27 ILE HA 71 THR MG2 4.50 (# 3075:20 Unique 3.37, 4.37 A)
&rst
ixpk= 3075, nxpk= 20, iat= 392, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1106,1107,1108,
&end
#
# 71 THR HN 71 THR MG2 4.50 (# 3076:20 Unique 2.56, 3.44 A)
&rst
ixpk= 3076, nxpk= 20, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1106,1107,1108,
&end
#
# 23 TYR HE 71 THR MG2 4.50 (# 3077:20 Unique 3.99, 6.35 A)
&rst
ixpk= 3077, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 343, 348,
igr2=1106,1107,1108,
&end
#
# 0 AMB 20-2:3078 71 THR MG2 2.80 (# 3078:20 Single Ambig)
&rst
ixpk= 3078, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1102,1104,
igr2=1106,1107,1108,
&end
#
# 23 TYR HB+ 71 THR MG2 5.50 (# 3079:20 Unique 3.21, 4.88 A)
&rst
ixpk= 3079, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 337, 338,
igr2=1106,1107,1108,
&end
#
# 70 GLN HB+ 71 THR MG2 4.50 (# 3080:20 Unique 3.00, 4.35 A)
&rst
ixpk= 3080, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1087,1088,
igr2=1106,1107,1108,
&end
#
# 27 ILE HG1+ 71 THR MG2 2.80 (# 3081:20 Unique 2.45, 3.25 A)
&rst
ixpk= 3081, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 400, 401,
igr2=1106,1107,1108,
&end
#
# 31 ARG HB- 71 THR MG2 5.50 (# 3082:20 Unique 6.35, 7.75 A)
&rst
ixpk= 3082, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 446, 447,
igr2=1106,1107,1108,
&end
#
# 26 VAL MGX 71 THR MG2 2.80 (# 3083:20 Unique 2.37, 4.70 A)
&rst
ixpk= 3083, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 380, 381, 382, 384, 385, 386,
igr2=1106,1107,1108,
&end
#
# 0 AMB 20-2:3084 71 THR MG2 2.80 (# 3084:20 Single Ambig)
&rst
ixpk= 3084, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 380, 381, 382, 384, 385, 386, 400, 401,
igr2=1106,1107,1108,
&end
#
# 27 ILE QD1 71 THR MG2 2.80 (# 3085:20 Unique 2.72, 4.33 A)
&rst
ixpk= 3085, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 403, 404, 405,
igr2=1106,1107,1108,
&end
#
# 48 ALA HN 47 VAL MGX 3.50 (# 3086:20 Unique 3.37, 4.46 A)
&rst
ixpk= 3086, nxpk= 20, iat= 743, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 46 LEU HN 47 VAL MGX 4.50 (# 3087:20 Unique 4.55, 6.47 A)
&rst
ixpk= 3087, nxpk= 20, iat= 708, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:3088 47 VAL MGX 5.50 (# 3088:20 Single Ambig)
&rst
ixpk= 3088, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1339, 770,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:3089 47 VAL MGX 3.50 (# 3089:20 Single Ambig)
&rst
ixpk= 3089, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1351,1352, 800, 809,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 51 TYR HD 47 VAL MGX 3.50 (# 3090:20 Unique 3.42, 7.17 A)
&rst
ixpk= 3090, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 800, 809,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 47 VAL HN 47 VAL MGX 2.80 (# 3092:20 Unique 2.28, 3.88 A)
&rst
ixpk= 3092, nxpk= 20, iat= 727, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 51 TYR HE 47 VAL MGX 5.50 (# 3093:20 Unique 2.24, 5.85 A)
&rst
ixpk= 3093, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 802, 807,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:3094 47 VAL MGX 2.80 (# 3094:20 Single Ambig)
&rst
ixpk= 3094, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 729,1266,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 83 LYS HE- 47 VAL MGX 2.80 (# 3095:20 Unique 1.98, 4.71 A)
&rst
ixpk= 3095, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1277,1278,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 47 VAL HB 47 VAL MGX 2.80 (# 3096:20 Unique 2.44, 2.67 A)
&rst
ixpk= 3096, nxpk= 20, iat= 731, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:3097 47 VAL MGX 2.80 (# 3097:20 Single Ambig)
&rst
ixpk= 3097, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1274,1275,1274,1275,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 83 LYS HG- 47 VAL MGX 2.80 (# 3098:20 Unique 2.23, 4.08 A)
&rst
ixpk= 3098, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1271,1272,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 111 VAL HN 111 VAL MGX 2.80 (# 3100:20 Unique 2.45, 3.92 A)
&rst
ixpk= 3100, nxpk= 20, iat=1699, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1705,1706,1707,1709,1710,1711,
&end
#
# 108 PHE HA 111 VAL MGX 2.80 (# 3101:20 Unique 3.22, 4.11 A)
&rst
ixpk= 3101, nxpk= 20, iat=1653, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1705,1706,1707,1709,1710,1711,
&end
#
# 0 AMB 20-2:3103 75 VAL MGY 5.50 (# 3103:20 Single Ambig)
&rst
ixpk= 3103, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1197, 984,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 67 LEU HN 0 AMB 20-1:3104 4.50 (# 3104:20 Single Ambig)
&rst
ixpk= 3104, nxpk= 20, iat=1043, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr2=1012,1013,1014,1016,1017,1018,1156,1157,1158,1160,
1161,1162,
&end
#
# 77 ASP HN 75 VAL MGY 5.50 (# 3105:20 Unique 5.40, 6.22 A)
&rst
ixpk= 3105, nxpk= 20, iat=1185, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 0 AMB 20-2:3106 0 AMB 20-1:3106 3.50 (# 3106:20 Double Ambig)
&rst
ixpk= 3106, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1168,1638,1639,
igr2=1156,1157,1158,1160,1161,1162,1012,1013,1014,1016,
1017,1018,
&end
#
# 0 AMB 20-2:3107 0 AMB 20-1:3107 2.80 (# 3107:20 Double Ambig)
&rst
ixpk= 3107, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 265, 266,1201,1202,
igr2=1012,1013,1014,1016,1017,1018,1156,1157,1158,1160,
1161,1162,
&end
#
# 0 AMB 20-2:3108 75 VAL MGY 2.80 (# 3108:20 Single Ambig)
&rst
ixpk= 3108, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1007,1008,1154,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 75 VAL HN 75 VAL MGY 3.50 (# 3110:20 Unique 2.00, 3.73 A)
&rst
ixpk= 3110, nxpk= 20, iat=1150, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 0 AMB 20-2:3111 0 AMB 20-1:3111 2.80 (# 3111:20 Double Ambig)
&rst
ixpk= 3111, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1005,1152,
igr2=1012,1013,1014,1016,1017,1018,1156,1157,1158,1160,
1161,1162,
&end
#
# 68 SER HB- 75 VAL MGY 3.50 (# 3112:20 Unique 2.53, 5.50 A)
&rst
ixpk= 3112, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1066,1067,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 61 VAL HA 75 VAL MGY 2.80 (# 3113:20 Unique 2.21, 3.39 A)
&rst
ixpk= 3113, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 61 VAL HB 0 AMB 20-1:3114 5.50 (# 3114:20 Single Ambig)
&rst
ixpk= 3114, nxpk= 20, iat= 960, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr2=1156,1157,1158,1160,1161,1162,1012,1013,1014,1016,
1017,1018,
&end
#
# 107 PRO HB+ 64 LEU MDY 2.80 (# 3115:20 Unique 2.38, 5.46 A)
&rst
ixpk= 3115, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1644,1645,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 0 AMB 20-2:3118 67 LEU MDY 2.80 (# 3118:20 Single Ambig)
&rst
ixpk= 3118, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1647, 282,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:3119 67 LEU MDY 4.50 (# 3119:20 Single Ambig)
&rst
ixpk= 3119, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1687,1644,1645,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 31 ARG HA 34 LEU MDX 5.50 (# 3120:20 Unique 2.41, 4.94 A)
&rst
ixpk= 3120, nxpk= 20, iat= 444, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 40 THR HN 39 THR HB 5.50 (# 3124:20 Unique 3.89, 4.26 A)
&rst
ixpk= 3124, nxpk= 20, iat= 615, 605, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 39 THR HA 39 THR HB 2.80 (# 3125:20 Unique 2.49, 2.61 A)
&rst
ixpk= 3125, nxpk= 20, iat= 603, 605, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 80 ALA HA 39 THR HB 4.50 (# 3126:20 Unique 2.70, 3.25 A)
&rst
ixpk= 3126, nxpk= 20, iat=1227, 605, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 ALA MB 39 THR HB 4.50 (# 3128:20 Unique 2.27, 3.23 A)
&rst
ixpk= 3128, nxpk= 20, iat= -1, 605, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1229,1230,1231,
&end
#
# 0 AMB 20-2:3129 39 THR HB 5.50 (# 3129:20 Single Ambig)
&rst
ixpk= 3129, nxpk= 20, iat= -1, 605, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1274,1275,1274,1275,
&end
#
# 0 AMB 20-2:3130 12 THR HB 5.50 (# 3130:20 Single Ambig)
&rst
ixpk= 3130, nxpk= 20, iat= -1, 155, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 852, 853, 852, 853,
&end
#
# 39 THR MG2 39 THR HB 2.80 (# 3131:20 Unique 2.39, 2.65 A)
&rst
ixpk= 3131, nxpk= 20, iat= -1, 605, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 607, 608, 609,
&end
#
# 70 GLN HE2+ 71 THR MG2 5.50 (# 3132:20 Unique 4.84, 6.49 A)
&rst
ixpk= 3132, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1095,1096,
igr2=1106,1107,1108,
&end
#
# 94 THR HB 99 THR MG2 5.50 (# 3134:20 Unique 4.27, 5.15 A)
&rst
ixpk= 3134, nxpk= 20, iat=1443, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1515,1516,1517,
&end
#
# 87 GLN HG+ 47 VAL MGX 5.50 (# 3135:20 Unique 2.57, 4.57 A)
&rst
ixpk= 3135, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1346,1347,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 112 ARG HN 111 VAL MGX 2.80 (# 3137:20 Unique 2.95, 4.34 A)
&rst
ixpk= 3137, nxpk= 20, iat=1715, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1705,1706,1707,1709,1710,1711,
&end
#
# 111 VAL HA 111 VAL MGX 2.80 (# 3138:20 Unique 2.37, 3.16 A)
&rst
ixpk= 3138, nxpk= 20, iat=1701, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1705,1706,1707,1709,1710,1711,
&end
#
# 20 ALA HN 64 LEU MDY 4.50 (# 3139:20 Unique 2.87, 4.60 A)
&rst
ixpk= 3139, nxpk= 20, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 64 LEU HN 0 AMB 20-1:3140 2.80 (# 3140:20 Single Ambig)
&rst
ixpk= 3140, nxpk= 20, iat=1003, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr2=1012,1013,1014,1016,1017,1018,1156,1157,1158,1160,
1161,1162,
&end
#
# 23 TYR HE 0 AMB 20-1:3141 4.50 (# 3141:20 Single Ambig)
&rst
ixpk= 3141, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 343, 348,
igr2=1012,1013,1014,1016,1017,1018,1156,1157,1158,1160,
1161,1162,
&end
#
# 0 AMB 20-2:3142 0 AMB 20-1:3142 3.50 (# 3142:20 Double Ambig)
&rst
ixpk= 3142, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 346, 341, 350,
igr2=1156,1157,1158,1160,1161,1162,1012,1013,1014,1016,
1017,1018,
&end
#
# 0 AMB 20-2:3143 64 LEU MDY 2.80 (# 3143:20 Single Ambig)
&rst
ixpk= 3143, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1641,1642,1010,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 108 PHE HN 64 LEU MDY 5.50 (# 3145:20 Unique 6.06, 8.25 A)
&rst
ixpk= 3145, nxpk= 20, iat=1651, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 35 ASN HN 34 LEU MDX 3.50 (# 3147:20 Unique 2.39, 4.43 A)
&rst
ixpk= 3147, nxpk= 20, iat= 529, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 33 PHE HE 34 LEU MDX 4.50 (# 3149:20 Unique 2.49, 5.29 A)
&rst
ixpk= 3149, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 500, 504,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 34 LEU HN 34 LEU MDX 4.50 (# 3150:20 Unique 2.22, 4.15 A)
&rst
ixpk= 3150, nxpk= 20, iat= 510, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 33 PHE HD 34 LEU MDX 4.50 (# 3151:20 Unique 2.70, 5.77 A)
&rst
ixpk= 3151, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 498, 506,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 78 MET HA 34 LEU MDX 4.50 (# 3152:20 Unique 3.32, 5.35 A)
&rst
ixpk= 3152, nxpk= 20, iat=1199, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 34 LEU HA 34 LEU MDX 2.80 (# 3153:20 Unique 2.10, 3.25 A)
&rst
ixpk= 3153, nxpk= 20, iat= 512, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 0 AMB 20-2:3154 34 LEU MDX 2.80 (# 3154:20 Single Ambig)
&rst
ixpk= 3154, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1239,1240,1241, 446, 447,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 34 LEU HB- 34 LEU MDX 2.80 (# 3155:20 Unique 2.37, 3.51 A)
&rst
ixpk= 3155, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 514, 515,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 0 AMB 20-2:3156 34 LEU MDX 2.80 (# 3156:20 Single Ambig)
&rst
ixpk= 3156, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 449, 450,1131,1132, 514, 515,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 26 VAL MGX 34 LEU MDX 2.80 (# 3157:20 Unique 2.11, 4.96 A)
&rst
ixpk= 3157, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 380, 381, 382, 384, 385, 386,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 73 ILE QD1 34 LEU MDX 2.80 (# 3158:20 Unique 2.14, 4.36 A)
&rst
ixpk= 3158, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1134,1135,1136,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 34 LEU HG 34 LEU MDX 2.80 (# 3159:20 Unique 2.36, 2.65 A)
&rst
ixpk= 3159, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 13 THR HN 13 THR MG2 5.50 (# 3160:20 Unique 4.37, 4.51 A)
&rst
ixpk= 3160, nxpk= 20, iat= 165, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 171, 172, 173,
&end
#
# 12 THR HN 10 THR HB 5.50 (# 3163:20 Unique 2.42, 4.12 A)
&rst
ixpk= 3163, nxpk= 20, iat= 151, 129, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 ASP HN 10 THR HB 4.50 (# 3164:20 Unique 2.04, 3.06 A)
&rst
ixpk= 3164, nxpk= 20, iat= 139, 129, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 119 PHE HN 118 THR HB 5.50 (# 3165:20 Unique 2.07, 2.72 A)
&rst
ixpk= 3165, nxpk= 20, iat=1815,1805, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 118 THR HA 118 THR HB 2.80 (# 3166:20 Unique 2.38, 2.59 A)
&rst
ixpk= 3166, nxpk= 20, iat=1803,1805, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 99 THR HN 99 THR MG2 2.80 (# 3171:20 Unique 2.51, 3.52 A)
&rst
ixpk= 3171, nxpk= 20, iat=1509, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1515,1516,1517,
&end
#
# 100 ILE HN 99 THR MG2 5.50 (# 3172:20 Unique 4.82, 5.37 A)
&rst
ixpk= 3172, nxpk= 20, iat=1523, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1515,1516,1517,
&end
#
# 94 THR HA 99 THR MG2 4.50 (# 3173:20 Unique 3.79, 5.02 A)
&rst
ixpk= 3173, nxpk= 20, iat=1441, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1515,1516,1517,
&end
#
# 98 SER HA 99 THR MG2 3.50 (# 3174:20 Unique 3.48, 4.65 A)
&rst
ixpk= 3174, nxpk= 20, iat=1500, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1515,1516,1517,
&end
#
# 99 THR HA 99 THR MG2 2.80 (# 3175:20 Unique 2.42, 3.01 A)
&rst
ixpk= 3175, nxpk= 20, iat=1511, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1515,1516,1517,
&end
#
# 99 THR HB 99 THR MG2 2.80 (# 3176:20 Unique 2.44, 2.66 A)
&rst
ixpk= 3176, nxpk= 20, iat=1513, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1515,1516,1517,
&end
#
# 0 AMB 20-2:3177 99 THR MG2 4.50 (# 3177:20 Single Ambig)
&rst
ixpk= 3177, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=1384,1385,1388,1389,1390,
igr2=1515,1516,1517,
&end
#
# 94 THR MG2 99 THR MG2 2.80 (# 3178:20 Unique 2.33, 3.53 A)
&rst
ixpk= 3178, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1445,1446,1447,
igr2=1515,1516,1517,
&end
#
# 54 GLU HN 12 THR MG2 3.50 (# 3179:20 Unique 3.17, 4.17 A)
&rst
ixpk= 3179, nxpk= 20, iat= 848, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 157, 158, 159,
&end
#
# 12 THR HN 12 THR MG2 3.50 (# 3180:20 Unique 2.95, 3.97 A)
&rst
ixpk= 3180, nxpk= 20, iat= 151, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 157, 158, 159,
&end
#
# 52 ASN HD2- 12 THR MG2 5.50 (# 3181:20 Unique 2.64, 5.23 A)
&rst
ixpk= 3181, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 822, 823,
igr2= 157, 158, 159,
&end
#
# 0 AMB 20-2:3182 12 THR MG2 3.50 (# 3182:20 Single Ambig)
&rst
ixpk= 3182, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 153, 815,
igr2= 157, 158, 159,
&end
#
# 54 GLU HA 12 THR MG2 4.50 (# 3183:20 Unique 2.29, 3.51 A)
&rst
ixpk= 3183, nxpk= 20, iat= 850, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 157, 158, 159,
&end
#
# 12 THR HB 12 THR MG2 2.80 (# 3184:20 Unique 2.34, 2.63 A)
&rst
ixpk= 3184, nxpk= 20, iat= 155, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 157, 158, 159,
&end
#
# 76 LEU HN 61 VAL MGY 5.50 (# 3186:20 Unique 4.53, 5.83 A)
&rst
ixpk= 3186, nxpk= 20, iat=1166, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 962, 963, 964, 966, 967, 968,
&end
#
# 60 HIS HN 61 VAL MGY 4.50 (# 3187:20 Unique 4.67, 6.24 A)
&rst
ixpk= 3187, nxpk= 20, iat= 939, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 962, 963, 964, 966, 967, 968,
&end
#
# 61 VAL HA 61 VAL MGY 2.80 (# 3188:20 Unique 2.67, 3.24 A)
&rst
ixpk= 3188, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 962, 963, 964, 966, 967, 968,
&end
#
# 61 VAL HB 61 VAL MGY 2.80 (# 3189:20 Unique 2.31, 2.63 A)
&rst
ixpk= 3189, nxpk= 20, iat= 960, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 962, 963, 964, 966, 967, 968,
&end
#
# 61 VAL HB 64 LEU MDY 5.50 (# 3190:20 Unique 5.42, 7.79 A)
&rst
ixpk= 3190, nxpk= 20, iat= 960, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 67 LEU HN 64 LEU MDY 5.50 (# 3193:20 Unique 4.96, 6.61 A)
&rst
ixpk= 3193, nxpk= 20, iat=1043, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 81 ALA HA 34 LEU MDX 5.50 (# 3195:20 Unique 4.63, 6.75 A)
&rst
ixpk= 3195, nxpk= 20, iat=1237, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 519, 520, 521, 523, 524, 525,
&end
#
# 0 AMB 20-2:3196 0 AMB 20-1:3196 3.50 (# 3196:20 Double Ambig)
&rst
ixpk= 3196, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1131,1132, 251, 252, 253, 255, 256, 257,
igr2= 519, 520, 521, 523, 524, 525, 171, 172, 173,
&end
#
# 14 ILE HN 13 THR MG2 3.50 (# 3197:20 Unique 2.56, 3.28 A)
&rst
ixpk= 3197, nxpk= 20, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 171, 172, 173,
&end
#
# 53 TYR HD 13 THR MG2 4.50 (# 3198:20 Unique 3.36, 5.17 A)
&rst
ixpk= 3198, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 835, 844,
igr2= 171, 172, 173,
&end
#
# 53 TYR HE 13 THR MG2 3.50 (# 3199:20 Unique 2.78, 4.54 A)
&rst
ixpk= 3199, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 837, 842,
igr2= 171, 172, 173,
&end
#
# 103 ASP HA 13 THR MG2 5.50 (# 3200:20 Unique 4.45, 5.16 A)
&rst
ixpk= 3200, nxpk= 20, iat=1578, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 171, 172, 173,
&end
#
# 13 THR HA 13 THR MG2 2.80 (# 3201:20 Unique 2.40, 3.08 A)
&rst
ixpk= 3201, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 171, 172, 173,
&end
#
# 103 ASP HB- 13 THR MG2 4.50 (# 3202:20 Unique 2.42, 3.48 A)
&rst
ixpk= 3202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1580,1581,
igr2= 171, 172, 173,
&end
#
# 13 THR HB 13 THR MG2 2.80 (# 3203:20 Unique 2.43, 2.67 A)
&rst
ixpk= 3203, nxpk= 20, iat= 169, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 171, 172, 173,
&end
#
# 103 ASP HB+ 13 THR MG2 3.50 (# 3204:20 Unique 2.42, 3.48 A)
&rst
ixpk= 3204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1580,1581,
igr2= 171, 172, 173,
&end
#
# 18 VAL MGX 13 THR MG2 3.50 (# 3205:20 Unique 2.33, 4.47 A)
&rst
ixpk= 3205, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 251, 252, 253, 255, 256, 257,
igr2= 171, 172, 173,
&end
#
# 0 AMB 20-2:3206 13 THR MG2 5.50 (# 3206:20 Single Ambig)
&rst
ixpk= 3206, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 157, 158, 159,1252,
igr2= 171, 172, 173,
&end
#
# 18 VAL MGY 13 THR MG2 2.80 (# 3207:20 Unique 2.33, 4.47 A)
&rst
ixpk= 3207, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 251, 252, 253, 255, 256, 257,
igr2= 171, 172, 173,
&end
#
# 21 TRP HE3 22 LEU MDX 4.50 (# 3209:20 Unique 2.67, 4.49 A)
&rst
ixpk= 3209, nxpk= 20, iat= 309, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 33 PHE HD 22 LEU MDX 5.50 (# 3210:20 Unique 2.85, 5.40 A)
&rst
ixpk= 3210, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 498, 506,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 22 LEU HA 22 LEU MDX 2.80 (# 3211:20 Unique 2.14, 3.75 A)
&rst
ixpk= 3211, nxpk= 20, iat= 316, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:3212 22 LEU MDX 2.80 (# 3212:20 Single Ambig)
&rst
ixpk= 3212, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1249,1250, 321,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 22 LEU HB+ 22 LEU MDX 2.80 (# 3213:20 Unique 2.36, 3.35 A)
&rst
ixpk= 3213, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 318, 319,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:3214 22 LEU MDX 3.50 (# 3214:20 Single Ambig)
&rst
ixpk= 3214, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1305,1306, 251, 252, 253, 255, 256, 257,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 82 LEU MDX 22 LEU MDX 4.50 (# 3215:20 Unique 2.18, 5.70 A)
&rst
ixpk= 3215, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1254,1255,1256,1258,1259,1260,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:3216 22 LEU MDX 2.80 (# 3216:20 Single Ambig)
&rst
ixpk= 3216, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
igr1=1310,1311,1312,1314,1315,1316,1551,1552,1553,1555,
1556,1557, 251, 252, 253, 255, 256, 257,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 85 LEU HG 22 LEU MDX 3.50 (# 3218:20 Unique 2.69, 4.22 A)
&rst
ixpk= 3218, nxpk= 20, iat=1308, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 95 ILE QD1 22 LEU MDX 2.80 (# 3219:20 Unique 2.32, 4.68 A)
&rst
ixpk= 3219, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1466,1467,1468,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:3220 22 LEU MDX 5.50 (# 3220:20 Single Ambig)
&rst
ixpk= 3220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 268,1546,1547,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 10 THR HA 10 THR HB 3.50 (# 3224:20 Unique 2.59, 2.78 A)
&rst
ixpk= 3224, nxpk= 20, iat= 127, 129, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 10 THR MG2 10 THR HB 2.80 (# 3225:20 Unique 2.41, 2.67 A)
&rst
ixpk= 3225, nxpk= 20, iat= -1, 129, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 131, 132, 133,
&end
#
# 4 THR MG2 4 THR HB 2.80 (# 3226:20 Unique 2.42, 2.67 A)
&rst
ixpk= 3226, nxpk= 20, iat= -1, 61, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 63, 64, 65,
&end
#
# 0 AMB 20-2:3231 12 THR MG2 3.50 (# 3231:20 Single Ambig)
&rst
ixpk= 3231, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 165, 827,
igr2= 157, 158, 159,
&end
#
# 52 ASN HD2+ 12 THR MG2 5.50 (# 3232:20 Unique 2.64, 5.23 A)
&rst
ixpk= 3232, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 822, 823,
igr2= 157, 158, 159,
&end
#
# 54 GLU HG- 12 THR MG2 3.50 (# 3233:20 Unique 2.33, 3.77 A)
&rst
ixpk= 3233, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 855, 856,
igr2= 157, 158, 159,
&end
#
# 0 AMB 20-2:3234 12 THR MG2 3.50 (# 3234:20 Single Ambig)
&rst
ixpk= 3234, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 852, 853, 852, 853,
igr2= 157, 158, 159,
&end
#
# 53 TYR HA 12 THR MG2 3.50 (# 3235:20 Unique 2.63, 4.02 A)
&rst
ixpk= 3235, nxpk= 20, iat= 829, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 157, 158, 159,
&end
#
# 62 ASP HA 61 VAL MGY 4.50 (# 3237:20 Unique 3.26, 5.44 A)
&rst
ixpk= 3237, nxpk= 20, iat= 974, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 962, 963, 964, 966, 967, 968,
&end
#
# 61 VAL HN 61 VAL MGY 2.80 (# 3238:20 Unique 2.38, 3.83 A)
&rst
ixpk= 3238, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 962, 963, 964, 966, 967, 968,
&end
#
# 20 ALA HN 18 VAL MGY 5.50 (# 3240:20 Unique 5.75, 6.57 A)
&rst
ixpk= 3240, nxpk= 20, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 22 LEU HN 22 LEU MDX 4.50 (# 3241:20 Unique 3.49, 4.58 A)
&rst
ixpk= 3241, nxpk= 20, iat= 314, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 21 TRP HH2 22 LEU MDX 4.50 (# 3242:20 Unique 3.84, 5.74 A)
&rst
ixpk= 3242, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:3243 22 LEU MDX 2.80 (# 3243:20 Single Ambig)
&rst
ixpk= 3243, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 500, 504, 307,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:3244 22 LEU MDX 5.50 (# 3244:20 Single Ambig)
&rst
ixpk= 3244, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1247, 263,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 110 VAL HN 110 VAL MGX 2.80 (# 3246:20 Unique 1.93, 3.72 A)
&rst
ixpk= 3246, nxpk= 20, iat=1683, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1689,1690,1691,1693,1694,1695,
&end
#
# 109 ASP HN 110 VAL MGX 3.50 (# 3247:20 Unique 3.80, 5.85 A)
&rst
ixpk= 3247, nxpk= 20, iat=1671, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1689,1690,1691,1693,1694,1695,
&end
#
# 64 LEU HN 61 VAL MGY 4.50 (# 3248:20 Unique 5.40, 6.19 A)
&rst
ixpk= 3248, nxpk= 20, iat=1003, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 962, 963, 964, 966, 967, 968,
&end
#
# 0 AMB 20-2:3249 0 AMB 20-1:3249 3.50 (# 3249:20 Double Ambig)
&rst
ixpk= 3249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 292,1152,
igr2=1689,1690,1691,1693,1694,1695, 962, 963, 964, 966,
967, 968,
&end
#
# 0 AMB 20-2:3250 110 VAL MGX 2.80 (# 3250:20 Single Ambig)
&rst
ixpk= 3250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1647, 282,
igr2=1689,1690,1691,1693,1694,1695,
&end
#
# 0 AMB 20-2:3252 18 VAL MGY 5.50 (# 3252:20 Single Ambig)
&rst
ixpk= 3252, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 235, 236, 235, 236,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 19 LEU HN 18 VAL MGY 3.50 (# 3253:20 Unique 3.72, 4.66 A)
&rst
ixpk= 3253, nxpk= 20, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 18 VAL HN 18 VAL MGY 2.80 (# 3254:20 Unique 2.02, 3.77 A)
&rst
ixpk= 3254, nxpk= 20, iat= 245, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 53 TYR HE 18 VAL MGY 2.80 (# 3255:20 Unique 2.14, 5.15 A)
&rst
ixpk= 3255, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 837, 842,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 103 ASP HA 18 VAL MGY 3.50 (# 3256:20 Unique 2.55, 4.53 A)
&rst
ixpk= 3256, nxpk= 20, iat=1578, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 18 VAL HA 18 VAL MGY 2.80 (# 3257:20 Unique 2.36, 3.13 A)
&rst
ixpk= 3257, nxpk= 20, iat= 247, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 18 VAL HB 18 VAL MGY 2.80 (# 3258:20 Unique 2.37, 2.67 A)
&rst
ixpk= 3258, nxpk= 20, iat= 249, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 103 ASP HB+ 18 VAL MGY 2.80 (# 3259:20 Unique 2.23, 4.53 A)
&rst
ixpk= 3259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1580,1581,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 13 THR MG2 18 VAL MGY 2.80 (# 3261:20 Unique 2.33, 4.47 A)
&rst
ixpk= 3261, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 171, 172, 173,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 103 ASP HB- 18 VAL MGY 3.50 (# 3262:20 Unique 2.23, 4.53 A)
&rst
ixpk= 3262, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1580,1581,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 77 ASP HN 76 LEU MDY 5.50 (# 3263:20 Unique 4.45, 5.74 A)
&rst
ixpk= 3263, nxpk= 20, iat=1185, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 0 AMB 20-2:3264 76 LEU MDY 5.50 (# 3264:20 Single Ambig)
&rst
ixpk= 3264, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 674, 648,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 39 THR HN 76 LEU MDY 5.50 (# 3265:20 Unique 4.80, 6.21 A)
&rst
ixpk= 3265, nxpk= 20, iat= 601, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 17 ASN HD2+ 106 THR MG2 3.50 (# 3269:20 Unique 2.21, 3.83 A)
&rst
ixpk= 3269, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 240, 241,
igr2=1629,1630,1631,
&end
#
# 105 PHE HA 106 THR MG2 4.50 (# 3270:20 Unique 4.61, 5.57 A)
&rst
ixpk= 3270, nxpk= 20, iat=1605, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1629,1630,1631,
&end
#
# 0 AMB 20-2:3272 106 THR MG2 2.80 (# 3272:20 Single Ambig)
&rst
ixpk= 3272, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.65, r4= 5.40,
igr1= 221, 222, 223, 225, 226, 227, 219,
igr2=1629,1630,1631,
&end
#
# 106 THR HN 106 THR MG2 2.80 (# 3273:20 Unique 2.88, 3.65 A)
&rst
ixpk= 3273, nxpk= 20, iat=1623, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1629,1630,1631,
&end
#
# 109 ASP HN 106 THR MG2 5.50 (# 3274:20 Unique 5.51, 5.74 A)
&rst
ixpk= 3274, nxpk= 20, iat=1671, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1629,1630,1631,
&end
#
# 106 THR HB 106 THR MG2 2.80 (# 3276:20 Unique 2.44, 2.66 A)
&rst
ixpk= 3276, nxpk= 20, iat=1627, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1629,1630,1631,
&end
#
# 107 PRO HD- 106 THR MG2 2.80 (# 3277:20 Unique 2.96, 4.10 A)
&rst
ixpk= 3277, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1638,1639,
igr2=1629,1630,1631,
&end
#
# 0 AMB 20-2:3278 106 THR MG2 5.50 (# 3278:20 Single Ambig)
&rst
ixpk= 3278, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1655,1656,1675,1676,
igr2=1629,1630,1631,
&end
#
# 0 AMB 20-2:3279 106 THR MG2 5.50 (# 3279:20 Single Ambig)
&rst
ixpk= 3279, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 235, 236,1655,1656,
igr2=1629,1630,1631,
&end
#
# 41 LEU HN 40 THR MG2 4.50 (# 3280:20 Unique 2.34, 3.57 A)
&rst
ixpk= 3280, nxpk= 20, iat= 629, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 621, 622, 623,
&end
#
# 39 THR HA 40 THR MG2 5.50 (# 3281:20 Unique 5.27, 6.16 A)
&rst
ixpk= 3281, nxpk= 20, iat= 603, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 621, 622, 623,
&end
#
# 42 ASN HA 40 THR MG2 5.50 (# 3283:20 Unique 6.06, 6.82 A)
&rst
ixpk= 3283, nxpk= 20, iat= 650, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 621, 622, 623,
&end
#
# 0 AMB 20-2:3284 40 THR MG2 5.50 (# 3284:20 Single Ambig)
&rst
ixpk= 3284, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 631, 591,
igr2= 621, 622, 623,
&end
#
# 0 AMB 20-2:3285 40 THR MG2 4.50 (# 3285:20 Single Ambig)
&rst
ixpk= 3285, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 652, 653, 666, 667,
igr2= 621, 622, 623,
&end
#
# 4 THR HB 4 THR MG2 2.80 (# 3287:20 Unique 2.42, 2.67 A)
&rst
ixpk= 3287, nxpk= 20, iat= 61, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 63, 64, 65,
&end
#
# 9 GLY HA- 10 THR MG2 5.50 (# 3289:20 Unique 3.83, 6.04 A)
&rst
ixpk= 3289, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 120, 121,
igr2= 131, 132, 133,
&end
#
# 21 TRP HD1 110 VAL MGX 5.50 (# 3290:20 Unique 5.18, 6.87 A)
&rst
ixpk= 3290, nxpk= 20, iat= 298, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1689,1690,1691,1693,1694,1695,
&end
#
# 110 VAL HA 110 VAL MGX 2.80 (# 3291:20 Unique 2.45, 3.18 A)
&rst
ixpk= 3291, nxpk= 20, iat=1685, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1689,1690,1691,1693,1694,1695,
&end
#
# 110 VAL HB 110 VAL MGX 2.80 (# 3292:20 Unique 2.38, 2.62 A)
&rst
ixpk= 3292, nxpk= 20, iat=1687, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1689,1690,1691,1693,1694,1695,
&end
#
# 24 ALA HN 110 VAL MGX 2.80 (# 3293:20 Unique 2.69, 4.21 A)
&rst
ixpk= 3293, nxpk= 20, iat= 354, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1689,1690,1691,1693,1694,1695,
&end
#
# 0 AMB 20-2:3294 110 VAL MGX 2.80 (# 3294:20 Single Ambig)
&rst
ixpk= 3294, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 358, 359, 360, 284, 285, 286,
igr2=1689,1690,1691,1693,1694,1695,
&end
#
# 71 THR HB 26 VAL MGY 3.50 (# 3295:20 Unique 2.27, 4.15 A)
&rst
ixpk= 3295, nxpk= 20, iat=1104, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 23 TYR HA 26 VAL MGY 2.80 (# 3296:20 Unique 2.81, 4.33 A)
&rst
ixpk= 3296, nxpk= 20, iat= 335, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 44 PHE HA 47 VAL MGY 3.50 (# 3297:20 Unique 3.64, 4.96 A)
&rst
ixpk= 3297, nxpk= 20, iat= 676, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:3298 47 VAL MGY 2.80 (# 3298:20 Single Ambig)
&rst
ixpk= 3298, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1274,1275,1274,1275,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:3299 26 VAL MGY 3.50 (# 3299:20 Single Ambig)
&rst
ixpk= 3299, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 390, 364, 430,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 20-2:3300 0 AMB 20-1:3300 3.50 (# 3300:20 Double Ambig)
&rst
ixpk= 3300, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.49, r4= 8.24,
igr1= 449, 450,1324,1325, 514, 515,1131,1132,
igr2= 380, 381, 382, 384, 385, 386, 733, 734, 735, 737,
738, 739,
&end
#
# 58 GLN HE2+ 76 LEU MDY 5.50 (# 3301:20 Unique 3.61, 8.03 A)
&rst
ixpk= 3301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 922, 923,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 41 LEU HN 76 LEU MDY 4.50 (# 3302:20 Unique 2.86, 4.68 A)
&rst
ixpk= 3302, nxpk= 20, iat= 629, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 76 LEU HN 76 LEU MDY 3.50 (# 3303:20 Unique 1.85, 3.93 A)
&rst
ixpk= 3303, nxpk= 20, iat=1166, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 79 CYS HN 76 LEU MDY 5.50 (# 3304:20 Unique 5.11, 6.76 A)
&rst
ixpk= 3304, nxpk= 20, iat=1214, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 40 THR HB 76 LEU MDY 5.50 (# 3305:20 Unique 5.31, 7.24 A)
&rst
ixpk= 3305, nxpk= 20, iat= 619, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 76 LEU HA 76 LEU MDY 2.80 (# 3306:20 Unique 2.15, 3.68 A)
&rst
ixpk= 3306, nxpk= 20, iat=1168, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 79 CYS HB+ 76 LEU MDY 3.50 (# 3307:20 Unique 4.03, 6.24 A)
&rst
ixpk= 3307, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1218,1219,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 0 AMB 20-2:3308 76 LEU MDY 2.80 (# 3308:20 Single Ambig)
&rst
ixpk= 3308, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1173, 636,1170,1171,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 74 ALA MB 76 LEU MDY 3.50 (# 3309:20 Unique 2.72, 6.27 A)
&rst
ixpk= 3309, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1144,1145,1146,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 41 LEU MDX 76 LEU MDY 2.80 (# 3311:20 Unique 2.33, 5.80 A)
&rst
ixpk= 3311, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 638, 639, 640, 642, 643, 644,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 79 CYS HB- 76 LEU MDY 3.50 (# 3314:20 Unique 4.03, 6.24 A)
&rst
ixpk= 3314, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1218,1219,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 0 AMB 20-2:3315 76 LEU MDY 3.50 (# 3315:20 Single Ambig)
&rst
ixpk= 3315, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1=1156,1157,1158,1160,1161,1162, 621, 622, 623,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 0 AMB 20-2:3316 76 LEU MDY 4.50 (# 3316:20 Single Ambig)
&rst
ixpk= 3316, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 593, 594, 595, 607, 608, 609,
igr2=1175,1176,1177,1179,1180,1181,
&end
#
# 86 LEU HN 86 LEU MDY 3.50 (# 3317:20 Unique 2.24, 4.59 A)
&rst
ixpk= 3317, nxpk= 20, iat=1320, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 51 TYR HD 86 LEU MDY 3.50 (# 3318:20 Unique 2.38, 4.83 A)
&rst
ixpk= 3318, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 800, 809,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 51 TYR HB+ 86 LEU MDY 4.50 (# 3319:20 Unique 2.59, 4.40 A)
&rst
ixpk= 3319, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 796, 797,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 0 AMB 20-2:3320 86 LEU MDY 5.50 (# 3320:20 Single Ambig)
&rst
ixpk= 3320, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1=1546,1547,1549, 774, 775,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 82 LEU MDY 86 LEU MDY 5.50 (# 3321:20 Unique 2.18, 4.96 A)
&rst
ixpk= 3321, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1254,1255,1256,1258,1259,1260,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 0 AMB 20-2:3322 86 LEU MDY 4.50 (# 3322:20 Single Ambig)
&rst
ixpk= 3322, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 792,1339, 770,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 0 AMB 20-2:3323 86 LEU MDY 2.80 (# 3323:20 Single Ambig)
&rst
ixpk= 3323, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 837, 842, 802, 807,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 86 LEU HA 86 LEU MDY 2.80 (# 3325:20 Unique 2.10, 3.81 A)
&rst
ixpk= 3325, nxpk= 20, iat=1322, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 0 AMB 20-2:3326 86 LEU MDY 2.80 (# 3326:20 Single Ambig)
&rst
ixpk= 3326, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1327,1324,1325,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 82 LEU MDX 86 LEU MDY 2.80 (# 3327:20 Unique 2.18, 4.96 A)
&rst
ixpk= 3327, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1254,1255,1256,1258,1259,1260,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 101 LEU MDX 86 LEU MDY 2.80 (# 3328:20 Unique 2.46, 6.41 A)
&rst
ixpk= 3328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1551,1552,1553,1555,1556,1557,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 13 THR MG2 86 LEU MDY 5.50 (# 3329:20 Unique 5.61, 8.26 A)
&rst
ixpk= 3329, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 171, 172, 173,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 99 THR MG2 99 THR HB 2.80 (# 3332:20 Unique 2.44, 2.66 A)
&rst
ixpk= 3332, nxpk= 20, iat= -1,1513, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1515,1516,1517,
&end
#
# 13 THR MG2 13 THR HB 2.80 (# 3341:20 Unique 2.43, 2.67 A)
&rst
ixpk= 3341, nxpk= 20, iat= -1, 169, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 171, 172, 173,
&end
#
# 53 TYR HA 13 THR HB 2.80 (# 3342:20 Unique 2.23, 2.35 A)
&rst
ixpk= 3342, nxpk= 20, iat= 829, 169, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 42 ASN HN 40 THR MG2 4.50 (# 3348:20 Unique 3.20, 4.11 A)
&rst
ixpk= 3348, nxpk= 20, iat= 648, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 621, 622, 623,
&end
#
# 40 THR HN 40 THR MG2 3.50 (# 3349:20 Unique 3.68, 4.23 A)
&rst
ixpk= 3349, nxpk= 20, iat= 615, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 621, 622, 623,
&end
#
# 43 ASP HB+ 40 THR MG2 5.50 (# 3350:20 Unique 4.43, 5.46 A)
&rst
ixpk= 3350, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 666, 667,
igr2= 621, 622, 623,
&end
#
# 43 ASP HN 40 THR MG2 5.50 (# 3351:20 Unique 4.11, 4.66 A)
&rst
ixpk= 3351, nxpk= 20, iat= 662, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 621, 622, 623,
&end
#
# 40 THR HB 40 THR MG2 2.80 (# 3353:20 Unique 2.43, 2.65 A)
&rst
ixpk= 3353, nxpk= 20, iat= 619, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 621, 622, 623,
&end
#
# 41 LEU HB- 40 THR MG2 5.50 (# 3354:20 Unique 3.54, 5.65 A)
&rst
ixpk= 3354, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 633, 634,
igr2= 621, 622, 623,
&end
#
# 76 LEU MDY 40 THR MG2 4.50 (# 3355:20 Unique 4.20, 6.71 A)
&rst
ixpk= 3355, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1175,1176,1177,1179,1180,1181,
igr2= 621, 622, 623,
&end
#
# 10 THR HB 10 THR MG2 2.80 (# 3359:20 Unique 2.41, 2.67 A)
&rst
ixpk= 3359, nxpk= 20, iat= 129, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 131, 132, 133,
&end
#
# 119 PHE HN 118 THR MG2 5.50 (# 3360:20 Unique 2.79, 4.37 A)
&rst
ixpk= 3360, nxpk= 20, iat=1815, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1807,1808,1809,
&end
#
# 0 AMB 20-2:3362 118 THR MG2 2.80 (# 3362:20 Single Ambig)
&rst
ixpk= 3362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1805,1787,
igr2=1807,1808,1809,
&end
#
# 0 AMB 20-2:3363 0 AMB 20-1:3363 4.50 (# 3363:20 Double Ambig)
&rst
ixpk= 3363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1453,1623,
igr2=1445,1446,1447,1689,1690,1691,1693,1694,1695,
&end
#
# 0 AMB 20-2:3364 0 AMB 20-1:3364 3.50 (# 3364:20 Double Ambig)
&rst
ixpk= 3364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1=1509,1498, 390,
igr2=1445,1446,1447,1689,1690,1691,1693,1694,1695,
&end
#
# 94 THR HN 94 THR MG2 2.80 (# 3366:20 Unique 2.46, 3.53 A)
&rst
ixpk= 3366, nxpk= 20, iat=1439, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1445,1446,1447,
&end
#
# 0 AMB 20-2:3367 110 VAL MGX 2.80 (# 3367:20 Single Ambig)
&rst
ixpk= 3367, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1=1052,1053,1054,1056,1057,1058, 403, 404, 405,
igr2=1689,1690,1691,1693,1694,1695,
&end
#
# 33 PHE HE 26 VAL MGY 5.50 (# 3368:20 Unique 2.96, 6.06 A)
&rst
ixpk= 3368, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 500, 504,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 26 VAL HB 26 VAL MGY 2.80 (# 3369:20 Unique 2.36, 2.66 A)
&rst
ixpk= 3369, nxpk= 20, iat= 378, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 26 VAL HN 26 VAL MGY 2.80 (# 3370:20 Unique 2.06, 3.79 A)
&rst
ixpk= 3370, nxpk= 20, iat= 374, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 20-2:3371 0 AMB 20-1:3371 3.50 (# 3371:20 Double Ambig)
&rst
ixpk= 3371, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1339, 466, 770,
igr2= 733, 734, 735, 737, 738, 739, 380, 381, 382, 384,
385, 386,
&end
#
# 51 TYR HD 47 VAL MGY 3.50 (# 3372:20 Unique 3.42, 7.17 A)
&rst
ixpk= 3372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 800, 809,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:3373 0 AMB 20-1:3373 3.50 (# 3373:20 Double Ambig)
&rst
ixpk= 3373, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 341, 350, 684, 688,
igr2= 380, 381, 382, 384, 385, 386, 733, 734, 735, 737,
738, 739,
&end
#
# 0 AMB 20-2:3374 0 AMB 20-1:3374 2.80 (# 3374:20 Double Ambig)
&rst
ixpk= 3374, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 376, 745,
igr2= 380, 381, 382, 384, 385, 386, 733, 734, 735, 737,
738, 739,
&end
#
# 0 AMB 20-2:3375 0 AMB 20-1:3375 2.80 (# 3375:20 Double Ambig)
&rst
ixpk= 3375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1271,1272,1106,1107,1108,
igr2= 733, 734, 735, 737, 738, 739, 380, 381, 382, 384,
385, 386,
&end
#
# 47 VAL HN 47 VAL MGY 3.50 (# 3376:20 Unique 2.28, 3.88 A)
&rst
ixpk= 3376, nxpk= 20, iat= 727, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 51 TYR HE 47 VAL MGY 2.80 (# 3377:20 Unique 2.24, 5.85 A)
&rst
ixpk= 3377, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 802, 807,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 44 PHE HA 47 VAL MGY 4.50 (# 3378:20 Unique 3.64, 4.96 A)
&rst
ixpk= 3378, nxpk= 20, iat= 676, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:3379 47 VAL MGY 2.80 (# 3379:20 Single Ambig)
&rst
ixpk= 3379, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 729,1266,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 87 GLN HG- 47 VAL MGY 5.50 (# 3380:20 Unique 2.57, 4.57 A)
&rst
ixpk= 3380, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1346,1347,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:3381 47 VAL MGY 2.80 (# 3381:20 Single Ambig)
&rst
ixpk= 3381, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 731, 712, 713,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 86 LEU MDX 47 VAL MGY 3.50 (# 3382:20 Unique 2.31, 6.54 A)
&rst
ixpk= 3382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1329,1330,1331,1333,1334,1335,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 44 PHE HE 86 LEU MDY 5.50 (# 3386:20 Unique 3.51, 6.84 A)
&rst
ixpk= 3386, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 684, 688,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 13 THR HA 13 THR HB 4.50 (# 3398:20 Unique 3.05, 3.06 A)
&rst
ixpk= 3398, nxpk= 20, iat= 167, 169, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 THR HN 13 THR HB 3.50 (# 3399:20 Unique 2.42, 2.54 A)
&rst
ixpk= 3399, nxpk= 20, iat= 165, 169, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 53 TYR HD 13 THR HB 5.50 (# 3400:20 Unique 2.98, 3.68 A)
&rst
ixpk= 3400, nxpk= 20, iat= -1, 169, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 835, 844,
&end
#
# 11 ASP HN 10 THR MG2 5.50 (# 3404:20 Unique 1.72, 4.33 A)
&rst
ixpk= 3404, nxpk= 20, iat= 139, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 131, 132, 133,
&end
#
# 10 THR HN 10 THR MG2 5.50 (# 3405:20 Unique 2.62, 4.15 A)
&rst
ixpk= 3405, nxpk= 20, iat= 125, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 131, 132, 133,
&end
#
# 10 THR HA 10 THR MG2 2.80 (# 3406:20 Unique 2.38, 3.00 A)
&rst
ixpk= 3406, nxpk= 20, iat= 127, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 131, 132, 133,
&end
#
# 118 THR HN 118 THR MG2 5.50 (# 3407:20 Unique 2.10, 3.55 A)
&rst
ixpk= 3407, nxpk= 20, iat=1801, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1807,1808,1809,
&end
#
# 94 THR HA 94 THR MG2 2.80 (# 3408:20 Unique 2.30, 3.00 A)
&rst
ixpk= 3408, nxpk= 20, iat=1441, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1445,1446,1447,
&end
#
# 99 THR HA 94 THR MG2 2.80 (# 3409:20 Unique 2.10, 3.58 A)
&rst
ixpk= 3409, nxpk= 20, iat=1511, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1445,1446,1447,
&end
#
# 0 AMB 20-2:3410 94 THR MG2 3.50 (# 3410:20 Single Ambig)
&rst
ixpk= 3410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1417,1493,1494,
igr2=1445,1446,1447,
&end
#
# 94 THR HB 94 THR MG2 2.80 (# 3411:20 Unique 2.39, 2.66 A)
&rst
ixpk= 3411, nxpk= 20, iat=1443, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1445,1446,1447,
&end
#
# 99 THR MG2 94 THR MG2 2.80 (# 3412:20 Unique 2.33, 3.53 A)
&rst
ixpk= 3412, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1515,1516,1517,
igr2=1445,1446,1447,
&end
#
# 62 ASP HN 61 VAL MGX 2.80 (# 3413:20 Unique 3.06, 4.38 A)
&rst
ixpk= 3413, nxpk= 20, iat= 972, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 962, 963, 964, 966, 967, 968,
&end
#
# 29 GLY HN 26 VAL MGY 5.50 (# 3414:20 Unique 5.27, 6.41 A)
&rst
ixpk= 3414, nxpk= 20, iat= 423, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 48 ALA HN 47 VAL MGY 3.50 (# 3415:20 Unique 3.37, 4.46 A)
&rst
ixpk= 3415, nxpk= 20, iat= 743, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 0 AMB 20-2:3416 47 VAL MGY 3.50 (# 3416:20 Single Ambig)
&rst
ixpk= 3416, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1274,1275,1274,1275,
igr2= 733, 734, 735, 737, 738, 739,
&end
#
# 118 THR HA 117 VAL MGX 5.50 (# 3418:20 Unique 3.95, 5.82 A)
&rst
ixpk= 3418, nxpk= 20, iat=1803, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1791,1792,1793,1795,1796,1797,
&end
#
# 118 THR MG2 117 VAL MGX 3.50 (# 3419:20 Unique 2.62, 6.46 A)
&rst
ixpk= 3419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1807,1808,1809,
igr2=1791,1792,1793,1795,1796,1797,
&end
#
# 57 THR HN 57 THR MG2 3.50 (# 3426:20 Unique 3.31, 4.04 A)
&rst
ixpk= 3426, nxpk= 20, iat= 896, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 902, 903, 904,
&end
#
# 58 GLN HN 57 THR MG2 4.50 (# 3427:20 Unique 3.99, 4.43 A)
&rst
ixpk= 3427, nxpk= 20, iat= 910, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 902, 903, 904,
&end
#
# 60 HIS HE1 57 THR MG2 2.80 (# 3428:20 Unique 2.73, 3.77 A)
&rst
ixpk= 3428, nxpk= 20, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 902, 903, 904,
&end
#
# 56 LEU HA 57 THR MG2 3.50 (# 3429:20 Unique 3.52, 4.59 A)
&rst
ixpk= 3429, nxpk= 20, iat= 879, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 902, 903, 904,
&end
#
# 57 THR HB 57 THR MG2 2.80 (# 3431:20 Unique 2.39, 2.63 A)
&rst
ixpk= 3431, nxpk= 20, iat= 900, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 902, 903, 904,
&end
#
# 0 AMB 20-2:3433 0 AMB 20-1:3433 4.50 (# 3433:20 Double Ambig)
&rst
ixpk= 3433, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.79, r4= 8.54,
igr1=1150, 910,1491,
igr2= 962, 963, 964, 966, 967, 968,1445,1446,1447,
&end
#
# 58 GLN HE2+ 61 VAL MGX 2.80 (# 3434:20 Unique 2.47, 4.35 A)
&rst
ixpk= 3434, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 922, 923,
igr2= 962, 963, 964, 966, 967, 968,
&end
#
# 61 VAL HN 61 VAL MGX 2.80 (# 3435:20 Unique 2.38, 3.83 A)
&rst
ixpk= 3435, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 962, 963, 964, 966, 967, 968,
&end
#
# 58 GLN HE2- 61 VAL MGX 3.50 (# 3436:20 Unique 2.47, 4.35 A)
&rst
ixpk= 3436, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 922, 923,
igr2= 962, 963, 964, 966, 967, 968,
&end
#
# 62 ASP HA 61 VAL MGX 3.50 (# 3437:20 Unique 3.26, 5.44 A)
&rst
ixpk= 3437, nxpk= 20, iat= 974, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 962, 963, 964, 966, 967, 968,
&end
#
# 61 VAL HA 61 VAL MGX 2.80 (# 3438:20 Unique 2.67, 3.24 A)
&rst
ixpk= 3438, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 962, 963, 964, 966, 967, 968,
&end
#
# 0 AMB 20-2:3439 0 AMB 20-1:3439 2.80 (# 3439:20 Double Ambig)
&rst
ixpk= 3439, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1= 960,1384,1385,
igr2= 962, 963, 964, 966, 967, 968,1445,1446,1447,
&end
#
# 118 THR HN 117 VAL MGX 5.50 (# 3440:20 Unique 2.21, 4.39 A)
&rst
ixpk= 3440, nxpk= 20, iat=1801, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1791,1792,1793,1795,1796,1797,
&end
#
# 117 VAL HN 117 VAL MGX 5.50 (# 3441:20 Unique 2.00, 3.85 A)
&rst
ixpk= 3441, nxpk= 20, iat=1785, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1791,1792,1793,1795,1796,1797,
&end
#
# 117 VAL HA 117 VAL MGX 2.80 (# 3443:20 Unique 2.37, 3.34 A)
&rst
ixpk= 3443, nxpk= 20, iat=1787, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1791,1792,1793,1795,1796,1797,
&end
#
# 117 VAL HB 117 VAL MGX 2.80 (# 3444:20 Unique 2.34, 2.66 A)
&rst
ixpk= 3444, nxpk= 20, iat=1789, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1791,1792,1793,1795,1796,1797,
&end
#
# 111 VAL HN 111 VAL MGY 3.50 (# 3448:20 Unique 2.45, 3.92 A)
&rst
ixpk= 3448, nxpk= 20, iat=1699, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1705,1706,1707,1709,1710,1711,
&end
#
# 112 ARG HN 111 VAL MGY 3.50 (# 3449:20 Unique 2.95, 4.34 A)
&rst
ixpk= 3449, nxpk= 20, iat=1715, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1705,1706,1707,1709,1710,1711,
&end
#
# 0 AMB 20-2:3450 111 VAL MGY 2.80 (# 3450:20 Single Ambig)
&rst
ixpk= 3450, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1717,1647,
igr2=1705,1706,1707,1709,1710,1711,
&end
#
# 67 LEU HA 111 VAL MGY 3.50 (# 3451:20 Unique 3.82, 5.76 A)
&rst
ixpk= 3451, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1705,1706,1707,1709,1710,1711,
&end
#
# 111 VAL HA 111 VAL MGY 2.80 (# 3452:20 Unique 2.37, 3.16 A)
&rst
ixpk= 3452, nxpk= 20, iat=1701, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1705,1706,1707,1709,1710,1711,
&end
#
# 117 VAL HN 117 VAL MGY 3.50 (# 3466:20 Unique 2.00, 3.85 A)
&rst
ixpk= 3466, nxpk= 20, iat=1785, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1791,1792,1793,1795,1796,1797,
&end
#
# 117 VAL HA 117 VAL MGY 2.80 (# 3467:20 Unique 2.37, 3.34 A)
&rst
ixpk= 3467, nxpk= 20, iat=1787, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1791,1792,1793,1795,1796,1797,
&end
#
# 117 VAL HB 117 VAL MGY 2.80 (# 3469:20 Unique 2.34, 2.66 A)
&rst
ixpk= 3469, nxpk= 20, iat=1789, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1791,1792,1793,1795,1796,1797,
&end
#
# 18 VAL MGY 103 ASP HA 3.50 (# 3504:20 Unique 2.55, 4.53 A)
&rst
ixpk= 3504, nxpk= 20, iat= -1,1578, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 251, 252, 253, 255, 256, 257,
&end
#
# 80 ALA MB 39 THR MG2 2.80 (# 3505:20 Unique 2.44, 4.35 A)
&rst
ixpk= 3505, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1229,1230,1231,
igr2= 607, 608, 609,
&end
#
# 90 MET HA 90 MET ME 5.50 (# 3506:20 Unique 3.49, 5.00 A)
&rst
ixpk= 3506, nxpk= 20, iat=1379, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1388,1389,1390,
&end
#
# 21 TRP HH2 90 MET ME 3.50 (# 3507:20 Unique 2.12, 2.99 A)
&rst
ixpk= 3507, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1388,1389,1390,
&end
#
# 0 AMB 20-2:3508 38 THR MG2 3.50 (# 3508:20 Single Ambig)
&rst
ixpk= 3508, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 589,1187,
igr2= 593, 594, 595,
&end
#
# 114 CYS HB+ 114 CYS HA 3.50 (# 3509:20 Unique 2.30, 2.61 A)
&rst
ixpk= 3509, nxpk= 20, iat= -1,1758, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1760,1761,
&end
#
# 0 AMB 20-2:3510 0 AMB 20-1:3510 5.50 (# 3510:20 Double Ambig)
&rst
ixpk= 3510, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1455,1237,
igr2=1474,1227,
&end
#
# 33 PHE HB- 33 PHE HA 2.80 (# 3511:20 Unique 2.34, 2.45 A)
&rst
ixpk= 3511, nxpk= 20, iat= -1, 492, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 494, 495,
&end
#
# 106 THR MG2 63 ILE QD1 5.50 (# 3512:20 Unique 5.97, 8.04 A)
&rst
ixpk= 3512, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1629,1630,1631,
igr2= 997, 998, 999,
&end
#
# 16 LEU HB+ 16 LEU HG 2.80 (# 3515:20 Unique 2.57, 2.81 A)
&rst
ixpk= 3515, nxpk= 20, iat= -1, 219, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 216, 217,
&end
#
# 38 THR HA 38 THR HB 2.80 (# 3516:20 Unique 2.58, 2.63 A)
&rst
ixpk= 3516, nxpk= 20, iat= 589, 591, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 85 LEU MDY 81 ALA MB 4.50 (# 3517:20 Unique 3.14, 6.87 A)
&rst
ixpk= 3517, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1310,1311,1312,1314,1315,1316,
igr2=1239,1240,1241,
&end
#
# 40 THR HN 39 THR HA 3.50 (# 3519:20 Unique 2.32, 2.39 A)
&rst
ixpk= 3519, nxpk= 20, iat= 615, 603, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 39 THR HB 39 THR HA 2.80 (# 3522:20 Unique 2.49, 2.61 A)
&rst
ixpk= 3522, nxpk= 20, iat= 605, 603, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 39 THR HN 39 THR HA 3.50 (# 3523:20 Unique 2.83, 2.89 A)
&rst
ixpk= 3523, nxpk= 20, iat= 601, 603, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 80 ALA MB 39 THR HA 5.50 (# 3524:20 Unique 4.18, 5.33 A)
&rst
ixpk= 3524, nxpk= 20, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1229,1230,1231,
&end
#
# 94 THR HN 94 THR HA 5.50 (# 3525:20 Unique 2.83, 2.91 A)
&rst
ixpk= 3525, nxpk= 20, iat=1439,1441, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 THR HA 94 THR HA 3.50 (# 3526:20 Unique 2.69, 3.14 A)
&rst
ixpk= 3526, nxpk= 20, iat=1511,1441, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 THR HB 94 THR HA 2.80 (# 3527:20 Unique 2.53, 2.58 A)
&rst
ixpk= 3527, nxpk= 20, iat=1443,1441, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:3528 94 THR HA 4.50 (# 3528:20 Single Ambig)
&rst
ixpk= 3528, nxpk= 20, iat= -1,1441, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1388,1389,1390,1384,1385,
&end
#
# 94 THR MG2 94 THR HA 2.80 (# 3529:20 Unique 2.30, 3.00 A)
&rst
ixpk= 3529, nxpk= 20, iat= -1,1441, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1445,1446,1447,
&end
#
# 95 ILE HN 94 THR HA 2.80 (# 3530:20 Unique 2.28, 2.42 A)
&rst
ixpk= 3530, nxpk= 20, iat=1453,1441, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 40 THR MG2 39 THR HA 5.50 (# 3532:20 Unique 5.27, 6.16 A)
&rst
ixpk= 3532, nxpk= 20, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 621, 622, 623,
&end
#
# 39 THR MG2 39 THR HA 3.50 (# 3533:20 Unique 3.61, 3.93 A)
&rst
ixpk= 3533, nxpk= 20, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 607, 608, 609,
&end
#
# 100 ILE HN 98 SER HA 4.50 (# 3535:20 Unique 3.70, 4.00 A)
&rst
ixpk= 3535, nxpk= 20, iat=1523,1500, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 98 SER HB+ 98 SER HA 2.80 (# 3536:20 Unique 2.38, 2.75 A)
&rst
ixpk= 3536, nxpk= 20, iat= -1,1500, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1502,1503,
&end
#
# 0 AMB 20-2:3537 98 SER HA 2.80 (# 3537:20 Single Ambig)
&rst
ixpk= 3537, nxpk= 20, iat= -1,1500, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1509,1498,
&end
#
# 99 THR MG2 98 SER HA 5.50 (# 3538:20 Unique 3.48, 4.65 A)
&rst
ixpk= 3538, nxpk= 20, iat= -1,1500, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1515,1516,1517,
&end
#
# 56 LEU HB- 56 LEU HA 3.50 (# 3540:20 Unique 2.64, 2.84 A)
&rst
ixpk= 3540, nxpk= 20, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 881, 882,
&end
#
# 56 LEU HB+ 56 LEU HA 3.50 (# 3541:20 Unique 2.64, 2.84 A)
&rst
ixpk= 3541, nxpk= 20, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 881, 882,
&end
#
# 57 THR HN 56 LEU HA 2.80 (# 3542:20 Unique 2.49, 2.52 A)
&rst
ixpk= 3542, nxpk= 20, iat= 896, 879, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 56 LEU HG 56 LEU HA 3.50 (# 3543:20 Unique 2.66, 2.68 A)
&rst
ixpk= 3543, nxpk= 20, iat= 884, 879, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 56 LEU MDX 56 LEU HA 3.50 (# 3544:20 Unique 2.17, 3.85 A)
&rst
ixpk= 3544, nxpk= 20, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 56 LEU HN 56 LEU HA 5.50 (# 3545:20 Unique 2.89, 2.90 A)
&rst
ixpk= 3545, nxpk= 20, iat= 877, 879, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 30 ASP HB- 30 ASP HA 3.50 (# 3546:20 Unique 2.40, 2.75 A)
&rst
ixpk= 3546, nxpk= 20, iat= -1, 432, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 434, 435,
&end
#
# 30 ASP HN 30 ASP HA 4.50 (# 3547:20 Unique 2.97, 2.98 A)
&rst
ixpk= 3547, nxpk= 20, iat= 430, 432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 30 ASP HN 30 ASP HA 4.50 (# 3548:20 Unique 2.97, 2.98 A)
&rst
ixpk= 3548, nxpk= 20, iat= 430, 432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 ARG HN 30 ASP HA 2.80 (# 3549:20 Unique 2.16, 2.53 A)
&rst
ixpk= 3549, nxpk= 20, iat= 442, 432, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 30 ASP HB+ 30 ASP HA 3.50 (# 3550:20 Unique 2.40, 2.75 A)
&rst
ixpk= 3550, nxpk= 20, iat= -1, 432, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 434, 435,
&end
#
# 88 ASN HN 88 ASN HA 3.50 (# 3551:20 Unique 2.92, 2.98 A)
&rst
ixpk= 3551, nxpk= 20, iat=1356,1358, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:3552 88 ASN HA 5.50 (# 3552:20 Single Ambig)
&rst
ixpk= 3552, nxpk= 20, iat= -1,1358, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1370,1365,1366,
&end
#
# 88 ASN HB- 88 ASN HA 2.80 (# 3553:20 Unique 2.21, 2.61 A)
&rst
ixpk= 3553, nxpk= 20, iat= -1,1358, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1360,1361,
&end
#
# 78 MET HA 78 MET HG- 5.50 (# 3554:20 Unique 2.64, 3.34 A)
&rst
ixpk= 3554, nxpk= 20, iat=1199, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1204,1205,
&end
#
# 99 THR HB 99 THR HA 2.80 (# 3555:20 Unique 2.58, 2.60 A)
&rst
ixpk= 3555, nxpk= 20, iat=1513,1511, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 102 GLU HB- 102 GLU HA 3.50 (# 3556:20 Unique 2.33, 2.74 A)
&rst
ixpk= 3556, nxpk= 20, iat= -1,1563, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1565,1566,
&end
#
# 14 ILE QD1 14 ILE HA 4.50 (# 3557:20 Unique 4.37, 4.64 A)
&rst
ixpk= 3557, nxpk= 20, iat= -1, 181, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 192, 193, 194,
&end
#
# 107 PRO HG+ 20 ALA MB 4.50 (# 3559:20 Unique 2.14, 3.99 A)
&rst
ixpk= 3559, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1641,1642,
igr2= 284, 285, 286,
&end
#
# 21 TRP HH2 95 ILE QD1 4.50 (# 3560:20 Unique 2.45, 3.80 A)
&rst
ixpk= 3560, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1466,1467,1468,
&end
#
# 90 MET HG+ 90 MET HA 3.50 (# 3561:20 Unique 2.17, 2.91 A)
&rst
ixpk= 3561, nxpk= 20, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1384,1385,
&end
#
# 73 ILE QD1 34 LEU HB- 3.50 (# 3565:20 Unique 3.52, 5.08 A)
&rst
ixpk= 3565, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1134,1135,1136,
igr2= 514, 515,
&end
#
# 73 ILE QD1 34 LEU HB+ 3.50 (# 3566:20 Unique 3.52, 5.08 A)
&rst
ixpk= 3566, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1134,1135,1136,
igr2= 514, 515,
&end
#
# 21 TRP HA 21 TRP HB+ 3.50 (# 3568:20 Unique 2.34, 2.69 A)
&rst
ixpk= 3568, nxpk= 20, iat= 292, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 294, 295,
&end
#
# 16 LEU HB- 16 LEU HG 2.80 (# 3569:20 Unique 2.57, 2.81 A)
&rst
ixpk= 3569, nxpk= 20, iat= -1, 219, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 216, 217,
&end
#
# 44 PHE HD 41 LEU MDX 5.50 (# 3570:20 Unique 3.22, 7.20 A)
&rst
ixpk= 3570, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 682, 690,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 20-2:3571 0 AMB 20-1:3571 5.50 (# 3571:20 Double Ambig)
&rst
ixpk= 3571, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 323, 324, 325, 327, 328, 329, 494, 495,
igr2=1252,1422,1423,
&end
#
# 22 LEU HB- 22 LEU MDX 3.50 (# 3572:20 Unique 2.36, 3.35 A)
&rst
ixpk= 3572, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 318, 319,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 65 GLY HA+ 66 PRO HD+ 3.50 (# 3576:20 Unique 2.32, 3.46 A)
&rst
ixpk= 3576, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1024,1025,
igr2=1030,1031,
&end
#
# 82 LEU MDX 82 LEU HB+ 3.50 (# 3577:20 Unique 2.51, 3.59 A)
&rst
ixpk= 3577, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1254,1255,1256,1258,1259,1260,
igr2=1249,1250,
&end
#
# 0 AMB 20-2:3578 0 AMB 20-1:3578 2.80 (# 3578:20 Double Ambig)
&rst
ixpk= 3578, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1290,1291,1268,1269,
igr2=1293,1294,1293,1294,
&end
#
# 90 MET HB- 90 MET HG- 3.50 (# 3579:20 Unique 2.22, 2.70 A)
&rst
ixpk= 3579, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1381,1382,
igr2=1384,1385,
&end
#
# 31 ARG HG+ 31 ARG HB+ 2.80 (# 3581:20 Unique 2.18, 2.74 A)
&rst
ixpk= 3581, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 449, 450,
igr2= 446, 447,
&end
#
# 31 ARG HG+ 31 ARG HB- 3.50 (# 3582:20 Unique 2.18, 2.74 A)
&rst
ixpk= 3582, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 449, 450,
igr2= 446, 447,
&end
#
# 26 VAL MGX 31 ARG HB+ 5.50 (# 3583:20 Unique 2.34, 4.22 A)
&rst
ixpk= 3583, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 380, 381, 382, 384, 385, 386,
igr2= 446, 447,
&end
#
# 111 VAL MGY 111 VAL HB 2.80 (# 3584:20 Unique 2.42, 2.64 A)
&rst
ixpk= 3584, nxpk= 20, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1705,1706,1707,1709,1710,1711,
&end
#
# 49 MET HG+ 55 PRO HG+ 5.50 (# 3585:20 Unique 4.71, 5.51 A)
&rst
ixpk= 3585, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 760, 761,
igr2= 867, 868,
&end
#
# 0 AMB 20-2:3587 0 AMB 20-1:3587 3.50 (# 3587:20 Double Ambig)
&rst
ixpk= 3587, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1125, 183,
igr2=1131,1132, 189, 190,
&end
#
# 0 AMB 20-2:3588 0 AMB 20-1:3588 2.80 (# 3588:20 Double Ambig)
&rst
ixpk= 3588, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1127,1128,1129, 380, 381, 382, 384, 385, 386,
igr2=1131,1132,1131,1132,
&end
#
# 0 AMB 20-2:3589 0 AMB 20-1:3589 2.80 (# 3589:20 Double Ambig)
&rst
ixpk= 3589, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1134,1135,1136, 192, 193, 194,
igr2=1131,1132, 189, 190,
&end
#
# 14 ILE QG2 14 ILE HG1+ 3.50 (# 3590:20 Unique 2.58, 3.56 A)
&rst
ixpk= 3590, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 185, 186, 187,
igr2= 189, 190,
&end
#
# 34 LEU HG 26 VAL MGX 2.80 (# 3592:20 Unique 2.93, 4.22 A)
&rst
ixpk= 3592, nxpk= 20, iat= 517, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 57 THR MG2 56 LEU MDX 5.50 (# 3594:20 Unique 5.40, 7.65 A)
&rst
ixpk= 3594, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 902, 903, 904,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 85 LEU HB- 101 LEU MDX 5.50 (# 3595:20 Unique 2.16, 3.78 A)
&rst
ixpk= 3595, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1305,1306,
igr2=1551,1552,1553,1555,1556,1557,
&end
#
# 0 AMB 20-2:3596 19 LEU MDX 4.50 (# 3596:20 Single Ambig)
&rst
ixpk= 3596, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
igr1=1012,1013,1014,1016,1017,1018,1156,1157,1158,1160,
1161,1162,1254,1255,1256,1258,1259,1260,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 20-2:3597 64 LEU MDX 4.50 (# 3597:20 Single Ambig)
&rst
ixpk= 3597, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1050, 318, 319,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 63 ILE HB 63 ILE HG1- 4.50 (# 3598:20 Unique 2.64, 2.85 A)
&rst
ixpk= 3598, nxpk= 20, iat= 988, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 994, 995,
&end
#
# 0 AMB 20-2:3599 93 ARG HB- 2.80 (# 3599:20 Single Ambig)
&rst
ixpk= 3599, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1422,1423,1422,1423,
igr2=1419,1420,
&end
#
# 0 AMB 20-2:3600 0 AMB 20-1:3600 5.50 (# 3600:20 Double Ambig)
&rst
ixpk= 3600, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 270, 271, 272, 274, 275, 276, 270, 271, 272, 274,
275, 276,
igr2=1249,1250,1249,1250,
&end
#
# 59 ASP HB- 63 ILE QD1 5.50 (# 3601:20 Unique 4.86, 6.00 A)
&rst
ixpk= 3601, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 931, 932,
igr2= 997, 998, 999,
&end
#
# 0 AMB 20-2:3602 73 ILE QD1 4.50 (# 3602:20 Single Ambig)
&rst
ixpk= 3602, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=1106,1107,1108, 514, 515,
igr2=1134,1135,1136,
&end
#
# 0 AMB 20-2:3603 110 VAL HA 5.50 (# 3603:20 Single Ambig)
&rst
ixpk= 3603, nxpk= 20, iat= -1,1685, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1739,1756,
&end
#
# 74 ALA HN 74 ALA MB 2.80 (# 3604:20 Unique 2.45, 2.88 A)
&rst
ixpk= 3604, nxpk= 20, iat=1140, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1144,1145,1146,
&end
#
# 70 GLN HN 66 PRO HA 5.50 (# 3605:20 Unique 3.87, 3.97 A)
&rst
ixpk= 3605, nxpk= 20, iat=1083,1039, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 TRP HB- 21 TRP HA 4.50 (# 3606:20 Unique 2.34, 2.69 A)
&rst
ixpk= 3606, nxpk= 20, iat= -1, 292, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 294, 295,
&end
#
# 0 AMB 20-2:3607 0 AMB 20-1:3607 5.50 (# 3607:20 Double Ambig)
&rst
ixpk= 3607, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 314, 261,
igr2= 292, 200,
&end
#
# 70 GLN HN 70 GLN HA 2.80 (# 3608:20 Unique 2.82, 2.82 A)
&rst
ixpk= 3608, nxpk= 20, iat=1083,1085, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:3609 0 AMB 20-1:3609 5.50 (# 3609:20 Double Ambig)
&rst
ixpk= 3609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1725,1726, 678, 679,
igr2=1717, 631,
&end
#
# 0 AMB 20-2:3610 112 ARG HA 3.50 (# 3610:20 Single Ambig)
&rst
ixpk= 3610, nxpk= 20, iat= -1,1717, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1715,1785,
&end
#
# 22 LEU HN 22 LEU HA 4.50 (# 3611:20 Unique 2.87, 2.88 A)
&rst
ixpk= 3611, nxpk= 20, iat= 314, 316, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 LEU HN 66 PRO HD+ 5.50 (# 3612:20 Unique 2.86, 3.58 A)
&rst
ixpk= 3612, nxpk= 20, iat=1043, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1030,1031,
&end
#
# 71 THR HN 72 GLY HA- 5.50 (# 3613:20 Unique 4.41, 4.91 A)
&rst
ixpk= 3613, nxpk= 20, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1116,1117,
&end
#
# 0 AMB 20-2:3614 0 AMB 20-1:3614 2.80 (# 3614:20 Double Ambig)
&rst
ixpk= 3614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1408, 430,
igr2=1410,1411, 425, 426,
&end
#
# 78 MET HN 77 ASP HB- 5.50 (# 3617:20 Unique 2.64, 3.36 A)
&rst
ixpk= 3617, nxpk= 20, iat=1197, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1189,1190,
&end
#
# 52 ASN HN 52 ASN HB- 5.50 (# 3618:20 Unique 3.05, 3.42 A)
&rst
ixpk= 3618, nxpk= 20, iat= 813, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 817, 818,
&end
#
# 18 VAL HN 17 ASN HB+ 5.50 (# 3619:20 Unique 2.49, 3.30 A)
&rst
ixpk= 3619, nxpk= 20, iat= 245, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 235, 236,
&end
#
# 103 ASP HA 17 ASN HB- 5.50 (# 3620:20 Unique 2.57, 2.90 A)
&rst
ixpk= 3620, nxpk= 20, iat=1578, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 235, 236,
&end
#
# 45 ASN HA 45 ASN HB- 4.50 (# 3621:20 Unique 2.54, 2.80 A)
&rst
ixpk= 3621, nxpk= 20, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 698, 699,
&end
#
# 0 AMB 20-2:3622 17 ASN HB- 5.50 (# 3622:20 Single Ambig)
&rst
ixpk= 3622, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 185, 186, 187, 251, 252, 253, 255, 256, 257,
igr2= 235, 236,
&end
#
# 14 ILE HB 17 ASN HB- 5.50 (# 3623:20 Unique 2.40, 3.16 A)
&rst
ixpk= 3623, nxpk= 20, iat= 183, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 235, 236,
&end
#
# 17 ASN HB- 18 VAL MGY 5.50 (# 3624:20 Unique 3.34, 5.98 A)
&rst
ixpk= 3624, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 235, 236,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 102 GLU HB+ 102 GLU HG+ 4.50 (# 3625:20 Unique 2.33, 2.64 A)
&rst
ixpk= 3625, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1565,1566,
igr2=1568,1569,
&end
#
# 21 TRP HH2 102 GLU HB+ 5.50 (# 3627:20 Unique 5.28, 6.23 A)
&rst
ixpk= 3627, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1565,1566,
&end
#
# 103 ASP HN 102 GLU HB+ 5.50 (# 3628:20 Unique 2.49, 3.29 A)
&rst
ixpk= 3628, nxpk= 20, iat=1576, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1565,1566,
&end
#
# 22 LEU HN 21 TRP HB+ 5.50 (# 3629:20 Unique 2.87, 3.55 A)
&rst
ixpk= 3629, nxpk= 20, iat= 314, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 294, 295,
&end
#
# 39 THR HN 39 THR HB 5.50 (# 3631:20 Unique 2.07, 2.32 A)
&rst
ixpk= 3631, nxpk= 20, iat= 601, 605, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 10 THR HN 10 THR HB 5.50 (# 3632:20 Unique 2.65, 3.35 A)
&rst
ixpk= 3632, nxpk= 20, iat= 125, 129, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 57 THR HA 57 THR MG2 2.80 (# 3633:20 Unique 2.47, 3.15 A)
&rst
ixpk= 3633, nxpk= 20, iat= 898, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 902, 903, 904,
&end
#
# 108 PHE HA 111 VAL MGY 4.50 (# 3634:20 Unique 3.22, 4.11 A)
&rst
ixpk= 3634, nxpk= 20, iat=1653, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1705,1706,1707,1709,1710,1711,
&end
#
# 76 LEU HN 61 VAL MGX 4.50 (# 3635:20 Unique 4.53, 5.83 A)
&rst
ixpk= 3635, nxpk= 20, iat=1166, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 962, 963, 964, 966, 967, 968,
&end
#
# 61 VAL HN 60 HIS HB+ 5.50 (# 3637:20 Unique 2.52, 3.09 A)
&rst
ixpk= 3637, nxpk= 20, iat= 956, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 943, 944,
&end
#
# 0 AMB 20-2:3639 0 AMB 20-1:3639 5.50 (# 3639:20 Double Ambig)
&rst
ixpk= 3639, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1100,1043, 939,
igr2=1090,1091, 917, 918,
&end
#
# 35 ASN HD2- 84 GLU HB- 5.50 (# 3640:20 Unique 3.15, 4.85 A)
&rst
ixpk= 3640, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 538, 539,
igr2=1290,1291,
&end
#
# 0 AMB 20-2:3641 84 GLU HB- 3.50 (# 3641:20 Single Ambig)
&rst
ixpk= 3641, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1365,1366,1301,
igr2=1290,1291,
&end
#
# 47 VAL HA 50 LYS HD+ 5.50 (# 3642:20 Unique 2.67, 4.62 A)
&rst
ixpk= 3642, nxpk= 20, iat= 729, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 780, 781,
&end
#
# 0 AMB 20-2:3643 0 AMB 20-1:3643 3.50 (# 3643:20 Double Ambig)
&rst
ixpk= 3643, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 181, 155,
igr2= 852, 853, 852, 853,
&end
#
# 55 PRO HD+ 54 GLU HB+ 4.50 (# 3644:20 Unique 2.32, 3.81 A)
&rst
ixpk= 3644, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 864, 865,
igr2= 852, 853,
&end
#
# 15 THR HB 54 GLU HB- 4.50 (# 3645:20 Unique 3.25, 4.06 A)
&rst
ixpk= 3645, nxpk= 20, iat= 202, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 852, 853,
&end
#
# 54 GLU HG- 54 GLU HB+ 2.80 (# 3646:20 Unique 2.37, 2.75 A)
&rst
ixpk= 3646, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 855, 856,
igr2= 852, 853,
&end
#
# 54 GLU HN 54 GLU HB+ 4.50 (# 3647:20 Unique 2.36, 3.00 A)
&rst
ixpk= 3647, nxpk= 20, iat= 848, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 852, 853,
&end
#
# 0 AMB 20-2:3648 0 AMB 20-1:3648 5.50 (# 3648:20 Double Ambig)
&rst
ixpk= 3648, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 151, 753,
igr2= 852, 853, 852, 853,
&end
#
# 15 THR HN 54 GLU HB+ 4.50 (# 3649:20 Unique 2.71, 3.73 A)
&rst
ixpk= 3649, nxpk= 20, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 852, 853,
&end
#
# 78 MET HA 78 MET HB- 3.50 (# 3650:20 Unique 2.49, 2.79 A)
&rst
ixpk= 3650, nxpk= 20, iat=1199, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1201,1202,
&end
#
# 75 VAL HA 75 VAL HB 3.50 (# 3651:20 Unique 3.03, 3.04 A)
&rst
ixpk= 3651, nxpk= 20, iat=1152,1154, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 MET HG+ 55 PRO HB- 4.50 (# 3652:20 Unique 3.52, 4.63 A)
&rst
ixpk= 3652, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 760, 761,
igr2= 870, 871,
&end
#
# 55 PRO HD- 55 PRO HB+ 4.50 (# 3653:20 Unique 2.94, 3.72 A)
&rst
ixpk= 3653, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 864, 865,
igr2= 870, 871,
&end
#
# 51 TYR HE 50 LYS HB- 5.50 (# 3655:20 Unique 2.73, 4.65 A)
&rst
ixpk= 3655, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 802, 807,
igr2= 774, 775,
&end
#
# 0 AMB 20-2:3657 0 AMB 20-1:3657 4.50 (# 3657:20 Double Ambig)
&rst
ixpk= 3657, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1647, 282,
igr2=1641,1642,1641,1642,
&end
#
# 82 LEU HG 82 LEU MDY 5.50 (# 3658:20 Unique 2.30, 2.65 A)
&rst
ixpk= 3658, nxpk= 20, iat=1252, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 108 PHE HN 106 THR MG2 5.50 (# 3659:20 Unique 4.99, 5.45 A)
&rst
ixpk= 3659, nxpk= 20, iat=1651, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1629,1630,1631,
&end
#
# 80 ALA MB 38 THR HA 3.50 (# 3660:20 Unique 2.88, 4.17 A)
&rst
ixpk= 3660, nxpk= 20, iat= -1, 589, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1229,1230,1231,
&end
#
# 38 THR MG2 38 THR HA 3.50 (# 3661:20 Unique 2.33, 2.94 A)
&rst
ixpk= 3661, nxpk= 20, iat= -1, 589, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 593, 594, 595,
&end
#
# 38 THR HB 38 THR HA 2.80 (# 3662:20 Unique 2.58, 2.63 A)
&rst
ixpk= 3662, nxpk= 20, iat= 591, 589, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 39 THR HN 38 THR HA 2.80 (# 3665:20 Unique 2.17, 2.28 A)
&rst
ixpk= 3665, nxpk= 20, iat= 601, 589, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 87 GLN HE2+ 87 GLN HG- 5.50 (# 3666:20 Unique 2.27, 3.48 A)
&rst
ixpk= 3666, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1351,1352,
igr2=1346,1347,
&end
#
# 88 ASN HN 87 GLN HG- 5.50 (# 3667:20 Unique 4.52, 4.92 A)
&rst
ixpk= 3667, nxpk= 20, iat=1356, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1346,1347,
&end
#
# 88 ASN HN 87 GLN HG+ 5.50 (# 3668:20 Unique 4.52, 4.92 A)
&rst
ixpk= 3668, nxpk= 20, iat=1356, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1346,1347,
&end
#
# 54 GLU HN 53 TYR HB- 5.50 (# 3669:20 Unique 2.58, 3.33 A)
&rst
ixpk= 3669, nxpk= 20, iat= 848, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 831, 832,
&end
#
# 54 GLU HN 53 TYR HB+ 5.50 (# 3670:20 Unique 2.58, 3.33 A)
&rst
ixpk= 3670, nxpk= 20, iat= 848, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 831, 832,
&end
#
# 83 LYS HN 82 LEU HB- 5.50 (# 3671:20 Unique 2.67, 3.31 A)
&rst
ixpk= 3671, nxpk= 20, iat=1264, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1249,1250,
&end
#
# 0 AMB 20-2:3672 107 PRO HD- 2.80 (# 3672:20 Single Ambig)
&rst
ixpk= 3672, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 284, 285, 286,1629,1630,1631,
igr2=1638,1639,
&end
#
# 38 THR HN 38 THR HA 5.50 (# 3673:20 Unique 2.91, 2.95 A)
&rst
ixpk= 3673, nxpk= 20, iat= 587, 589, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 ALA MB 7 ALA HA 3.50 (# 3677:20 Unique 2.42, 2.67 A)
&rst
ixpk= 3677, nxpk= 20, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 102, 103, 104,
&end
#
# 34 LEU HN 81 ALA MB 5.50 (# 3680:20 Unique 4.72, 5.64 A)
&rst
ixpk= 3680, nxpk= 20, iat= 510, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1239,1240,1241,
&end
#
# 84 GLU HN 81 ALA MB 5.50 (# 3681:20 Unique 5.22, 5.55 A)
&rst
ixpk= 3681, nxpk= 20, iat=1286, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1239,1240,1241,
&end
#
# 0 AMB 20-2:3682 100 ILE QD1 5.50 (# 3682:20 Single Ambig)
&rst
ixpk= 3682, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1542,1576,
igr2=1536,1537,1538,
&end
#
# 17 ASN HN 16 LEU HB+ 5.50 (# 3683:20 Unique 2.51, 3.23 A)
&rst
ixpk= 3683, nxpk= 20, iat= 231, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 216, 217,
&end
#
# 86 LEU HN 86 LEU HB- 3.50 (# 3684:20 Unique 2.15, 3.04 A)
&rst
ixpk= 3684, nxpk= 20, iat=1320, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1324,1325,
&end
#
# 60 HIS HB- 56 LEU MDX 4.50 (# 3686:20 Unique 2.34, 3.87 A)
&rst
ixpk= 3686, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 943, 944,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 0 AMB 20-2:3687 0 AMB 20-1:3687 5.50 (# 3687:20 Double Ambig)
&rst
ixpk= 3687, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 684, 688, 479,
igr2= 638, 639, 640, 642, 643, 644,1551,1552,1553,1555,
1556,1557,
&end
#
# 23 TYR HD 26 VAL MGX 5.50 (# 3688:20 Unique 3.75, 6.58 A)
&rst
ixpk= 3688, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 341, 350,
igr2= 380, 381, 382, 384, 385, 386,
&end
#
# 103 ASP HB+ 18 VAL MGX 5.50 (# 3689:20 Unique 2.23, 4.53 A)
&rst
ixpk= 3689, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1580,1581,
igr2= 251, 252, 253, 255, 256, 257,
&end
#
# 106 THR HN 105 PHE HA 2.80 (# 3691:20 Unique 2.22, 2.23 A)
&rst
ixpk= 3691, nxpk= 20, iat=1623,1605, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 95 ILE HN 95 ILE QG2 5.50 (# 3693:20 Unique 4.26, 4.72 A)
&rst
ixpk= 3693, nxpk= 20, iat=1453, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1459,1460,1461,
&end
#
# 32 TRP HE1 95 ILE QG2 5.50 (# 3694:20 Unique 3.91, 5.16 A)
&rst
ixpk= 3694, nxpk= 20, iat= 476, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1459,1460,1461,
&end
#
# 23 TYR HA 78 MET ME 5.50 (# 3695:20 Unique 2.38, 3.63 A)
&rst
ixpk= 3695, nxpk= 20, iat= 335, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1208,1209,1210,
&end
#
# 15 THR MG2 56 LEU HB- 5.50 (# 3698:20 Unique 2.60, 4.32 A)
&rst
ixpk= 3698, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 204, 205, 206,
igr2= 881, 882,
&end
#
# 55 PRO HA 56 LEU HB- 5.50 (# 3699:20 Unique 4.29, 4.56 A)
&rst
ixpk= 3699, nxpk= 20, iat= 873, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 881, 882,
&end
#
# 64 LEU MDX 19 LEU HB+ 3.50 (# 3701:20 Unique 2.54, 3.70 A)
&rst
ixpk= 3701, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1012,1013,1014,1016,1017,1018,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:3702 19 LEU HB- 5.50 (# 3702:20 Single Ambig)
&rst
ixpk= 3702, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1012,1013,1014,1016,1017,1018,1156,1157,1158,1160,
1161,1162,
igr2= 265, 266,
&end
#
# 82 LEU HA 85 LEU HB- 5.50 (# 3703:20 Unique 2.23, 3.22 A)
&rst
ixpk= 3703, nxpk= 20, iat=1247, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1305,1306,
&end
#
# 64 LEU MDX 64 LEU HB+ 3.50 (# 3704:20 Unique 2.36, 3.32 A)
&rst
ixpk= 3704, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1012,1013,1014,1016,1017,1018,
igr2=1007,1008,
&end
#
# 82 LEU HA 85 LEU HB+ 5.50 (# 3705:20 Unique 2.23, 3.22 A)
&rst
ixpk= 3705, nxpk= 20, iat=1247, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1305,1306,
&end
#
# 102 GLU HB- 102 GLU HG+ 4.50 (# 3706:20 Unique 2.33, 2.64 A)
&rst
ixpk= 3706, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1565,1566,
igr2=1568,1569,
&end
#
# 100 ILE HG1+ 102 GLU HG- 5.50 (# 3707:20 Unique 2.72, 5.23 A)
&rst
ixpk= 3707, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1533,1534,
igr2=1568,1569,
&end
#
# 100 ILE HG1+ 102 GLU HG+ 5.50 (# 3708:20 Unique 2.72, 5.23 A)
&rst
ixpk= 3708, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1533,1534,
igr2=1568,1569,
&end
#
# 0 AMB 20-2:3709 0 AMB 20-1:3709 4.50 (# 3709:20 Double Ambig)
&rst
ixpk= 3709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1052,1053,1054,1056,1057,1058, 403, 404, 405,
igr2=1090,1091,1090,1091,
&end
#
# 0 AMB 20-2:3710 83 LYS HD- 5.50 (# 3710:20 Single Ambig)
&rst
ixpk= 3710, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1266, 729,
igr2=1274,1275,
&end
#
# 80 ALA HA 83 LYS HD- 5.50 (# 3711:20 Unique 2.67, 3.53 A)
&rst
ixpk= 3711, nxpk= 20, iat=1227, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1274,1275,
&end
#
# 39 THR HB 0 AMB 20-1:3712 5.50 (# 3712:20 Single Ambig)
&rst
ixpk= 3712, nxpk= 20, iat= 605, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1274,1275,1274,1275,
&end
#
# 44 PHE HD 83 LYS HD- 5.50 (# 3713:20 Unique 2.60, 5.64 A)
&rst
ixpk= 3713, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 682, 690,
igr2=1274,1275,
&end
#
# 83 LYS HG- 83 LYS HD- 2.80 (# 3714:20 Unique 2.34, 2.74 A)
&rst
ixpk= 3714, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1271,1272,
igr2=1274,1275,
&end
#
# 47 VAL MGX 83 LYS HD- 4.50 (# 3715:20 Unique 2.43, 5.20 A)
&rst
ixpk= 3715, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 733, 734, 735, 737, 738, 739,
igr2=1274,1275,
&end
#
# 39 THR MG2 0 AMB 20-1:3716 5.50 (# 3716:20 Single Ambig)
&rst
ixpk= 3716, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 607, 608, 609,
igr2=1274,1275,1274,1275,
&end
#
# 78 MET HG- 19 LEU MDX 5.50 (# 3718:20 Unique 2.27, 4.41 A)
&rst
ixpk= 3718, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1204,1205,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 0 AMB 20-2:3719 85 LEU HG 2.80 (# 3719:20 Single Ambig)
&rst
ixpk= 3719, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1310,1311,1312,1314,1315,1316,1551,1552,1553,1555,
1556,1557,1551,1552,1553,1555,1556,1557,
&end
#
# 0 AMB 20-2:3720 86 LEU MDX 5.50 (# 3720:20 Single Ambig)
&rst
ixpk= 3720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1305,1306,1268,1269,
igr2=1329,1330,1331,1333,1334,1335,
&end
#
# 0 AMB 20-2:3721 75 VAL MGY 5.50 (# 3721:20 Single Ambig)
&rst
ixpk= 3721, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 631, 282,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 67 LEU HG 111 VAL MGX 2.80 (# 3722:20 Unique 2.28, 4.50 A)
&rst
ixpk= 3722, nxpk= 20, iat=1050, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1705,1706,1707,1709,1710,1711,
&end
#
# 70 GLN HB- 71 THR MG2 4.50 (# 3723:20 Unique 3.00, 4.35 A)
&rst
ixpk= 3723, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1087,1088,
igr2=1106,1107,1108,
&end
#
# 26 VAL HB 71 THR MG2 5.50 (# 3724:20 Unique 2.36, 3.34 A)
&rst
ixpk= 3724, nxpk= 20, iat= 378, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1106,1107,1108,
&end
#
# 14 ILE HB 13 THR MG2 5.50 (# 3725:20 Unique 4.27, 5.09 A)
&rst
ixpk= 3725, nxpk= 20, iat= 183, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 171, 172, 173,
&end
#
# 0 AMB 20-2:3726 57 THR MG2 5.50 (# 3726:20 Single Ambig)
&rst
ixpk= 3726, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 870, 871, 881, 882,
igr2= 902, 903, 904,
&end
#
# 0 AMB 20-2:3728 33 PHE HD 5.50 (# 3728:20 Single Ambig)
&rst
ixpk= 3728, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.58, r4=10.33,
igr1= 494, 495, 519, 520, 521, 523, 524, 525, 323, 324,
325, 327, 328, 329,
igr2= 498, 506,
&end
#
# 81 ALA MB 33 PHE HD 5.50 (# 3729:20 Unique 2.12, 5.27 A)
&rst
ixpk= 3729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1239,1240,1241,
igr2= 498, 506,
&end
#
# 33 PHE HB- 33 PHE HD 5.50 (# 3730:20 Unique 2.34, 3.09 A)
&rst
ixpk= 3730, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 494, 495,
igr2= 498, 506,
&end
#
# 0 AMB 20-2:3732 0 AMB 20-1:3732 4.50 (# 3732:20 Double Ambig)
&rst
ixpk= 3732, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 939, 770,
igr2= 941, 755,
&end
#
# 80 ALA MB 77 ASP HA 3.50 (# 3733:20 Unique 2.53, 3.42 A)
&rst
ixpk= 3733, nxpk= 20, iat= -1,1187, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1229,1230,1231,
&end
#
# 80 ALA MB 77 ASP HA 3.50 (# 3734:20 Unique 2.53, 3.42 A)
&rst
ixpk= 3734, nxpk= 20, iat= -1,1187, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1229,1230,1231,
&end
#
# 77 ASP HB+ 77 ASP HA 3.50 (# 3735:20 Unique 2.44, 2.76 A)
&rst
ixpk= 3735, nxpk= 20, iat= -1,1187, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1189,1190,
&end
#
# 77 ASP HB- 77 ASP HA 3.50 (# 3736:20 Unique 2.44, 2.76 A)
&rst
ixpk= 3736, nxpk= 20, iat= -1,1187, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1189,1190,
&end
#
# 77 ASP HN 77 ASP HA 4.50 (# 3737:20 Unique 2.92, 2.94 A)
&rst
ixpk= 3737, nxpk= 20, iat=1185,1187, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:3738 77 ASP HA 4.50 (# 3738:20 Single Ambig)
&rst
ixpk= 3738, nxpk= 20, iat= -1,1187, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 538, 539,1225,
&end
#
# 0 AMB 20-2:3739 77 ASP HA 4.50 (# 3739:20 Single Ambig)
&rst
ixpk= 3739, nxpk= 20, iat= -1,1187, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 601,1197,
&end
#
# 107 PRO HD- 20 ALA MB 3.50 (# 3740:20 Unique 2.77, 4.12 A)
&rst
ixpk= 3740, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1638,1639,
igr2= 284, 285, 286,
&end
#
# 17 ASN HA 20 ALA MB 3.50 (# 3741:20 Unique 2.27, 3.11 A)
&rst
ixpk= 3741, nxpk= 20, iat= 233, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 284, 285, 286,
&end
#
# 26 VAL MGX 23 TYR HA 4.50 (# 3742:20 Unique 2.81, 4.33 A)
&rst
ixpk= 3742, nxpk= 20, iat= -1, 335, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 380, 381, 382, 384, 385, 386,
&end
#
# 0 AMB 20-2:3743 85 LEU HG 4.50 (# 3743:20 Single Ambig)
&rst
ixpk= 3743, nxpk= 20, iat= -1,1308, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1303,1372,1373,
&end
#
# 0 AMB 20-2:3744 39 THR HA 4.50 (# 3744:20 Single Ambig)
&rst
ixpk= 3744, nxpk= 20, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 589,1187,
&end
#
# 44 PHE HN 39 THR MG2 5.50 (# 3745:20 Unique 2.92, 4.31 A)
&rst
ixpk= 3745, nxpk= 20, iat= 674, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 607, 608, 609,
&end
#
# 83 LYS HE- 39 THR MG2 5.50 (# 3746:20 Unique 2.39, 5.54 A)
&rst
ixpk= 3746, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1277,1278,
igr2= 607, 608, 609,
&end
#
# 60 HIS HB- 16 LEU MDX 5.50 (# 3748:20 Unique 2.27, 4.86 A)
&rst
ixpk= 3748, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 943, 944,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 107 PRO HD- 16 LEU MDX 4.50 (# 3749:20 Unique 2.63, 4.11 A)
&rst
ixpk= 3749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1638,1639,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 0 AMB 20-2:3750 67 LEU MDY 2.80 (# 3750:20 Single Ambig)
&rst
ixpk= 3750, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
igr1=1689,1690,1691,1693,1694,1695,1012,1013,1014,1016,
1017,1018,1705,1706,1707,1709,1710,1711,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 104 GLU HA 106 THR MG2 5.50 (# 3751:20 Unique 5.84, 6.95 A)
&rst
ixpk= 3751, nxpk= 20, iat=1590, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1629,1630,1631,
&end
#
# 65 GLY HN 68 SER HB- 5.50 (# 3752:20 Unique 4.77, 5.52 A)
&rst
ixpk= 3752, nxpk= 20, iat=1022, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1066,1067,
&end
#
# 0 AMB 20-2:3753 31 ARG HA 5.50 (# 3753:20 Single Ambig)
&rst
ixpk= 3753, nxpk= 20, iat= -1, 444, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1134,1135,1136,1463,1464,
&end
#
# 0 AMB 20-2:3754 22 LEU HA 5.50 (# 3754:20 Single Ambig)
&rst
ixpk= 3754, nxpk= 20, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 321,1208,1209,1210,
&end
#
# 95 ILE HG1+ 90 MET ME 4.50 (# 3755:20 Unique 2.25, 4.44 A)
&rst
ixpk= 3755, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1463,1464,
igr2=1388,1389,1390,
&end
#
# 21 TRP HH2 101 LEU HA 5.50 (# 3756:20 Unique 2.44, 2.55 A)
&rst
ixpk= 3756, nxpk= 20, iat= 305,1544, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 12 THR MG2 54 GLU HB- 4.50 (# 3757:20 Unique 4.38, 5.44 A)
&rst
ixpk= 3757, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 157, 158, 159,
igr2= 852, 853,
&end
#
# 12 THR MG2 54 GLU HB+ 4.50 (# 3758:20 Unique 4.38, 5.44 A)
&rst
ixpk= 3758, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 157, 158, 159,
igr2= 852, 853,
&end
#
# 25 ALA HN 24 ALA MB 2.80 (# 3759:20 Unique 2.74, 3.59 A)
&rst
ixpk= 3759, nxpk= 20, iat= 364, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 358, 359, 360,
&end
#
# 0 AMB 20-2:3760 24 ALA MB 3.50 (# 3760:20 Single Ambig)
&rst
ixpk= 3760, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1685, 294, 295, 316,
igr2= 358, 359, 360,
&end
#
# 0 AMB 20-2:3761 24 ALA MB 4.50 (# 3761:20 Single Ambig)
&rst
ixpk= 3761, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 394,1476,1477,
igr2= 358, 359, 360,
&end
#
# 0 AMB 20-2:3762 0 AMB 20-1:3762 4.50 (# 3762:20 Double Ambig)
&rst
ixpk= 3762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 418, 419,1588,
igr2= 366,1563,
&end
#
# 4 THR HN 4 THR HA 5.50 (# 3763:20 Unique 2.21, 2.71 A)
&rst
ixpk= 3763, nxpk= 20, iat= 57, 59, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 TYR HE 71 THR HB 5.50 (# 3765:20 Unique 3.83, 5.96 A)
&rst
ixpk= 3765, nxpk= 20, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 343, 348,
&end
#
# 0 AMB 20-2:3766 85 LEU MDY 3.50 (# 3766:20 Single Ambig)
&rst
ixpk= 3766, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.53, r4= 7.28,
igr1=1384,1385,1388,1389,1390,1290,1291,
igr2=1310,1311,1312,1314,1315,1316,
&end
#
# 27 ILE QG2 114 CYS HA 3.50 (# 3767:20 Unique 2.20, 4.14 A)
&rst
ixpk= 3767, nxpk= 20, iat= -1,1758, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 396, 397, 398,
&end
#
# 111 VAL MGY 108 PHE HA 4.50 (# 3768:20 Unique 3.22, 4.11 A)
&rst
ixpk= 3768, nxpk= 20, iat= -1,1653, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1705,1706,1707,1709,1710,1711,
&end
#
# 20 ALA HN 19 LEU MDX 5.50 (# 3769:20 Unique 4.76, 5.73 A)
&rst
ixpk= 3769, nxpk= 20, iat= 280, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 270, 271, 272, 274, 275, 276,
&end
#
# 19 LEU HN 64 LEU MDX 5.50 (# 3770:20 Unique 4.68, 5.89 A)
&rst
ixpk= 3770, nxpk= 20, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1012,1013,1014,1016,1017,1018,
&end
#
# 57 THR MG2 56 LEU HA 5.50 (# 3771:20 Unique 3.52, 4.59 A)
&rst
ixpk= 3771, nxpk= 20, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 902, 903, 904,
&end
#
# 0 AMB 20-2:3772 56 LEU HA 5.50 (# 3772:20 Single Ambig)
&rst
ixpk= 3772, nxpk= 20, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 962, 963, 964, 966, 967, 968, 962, 963, 964, 966,
967, 968, 221, 222, 223, 225, 226, 227,
&end
#
# 60 HIS HE1 56 LEU HA 5.50 (# 3773:20 Unique 3.09, 3.21 A)
&rst
ixpk= 3773, nxpk= 20, iat= 949, 879, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:3775 95 ILE QG2 5.50 (# 3775:20 Single Ambig)
&rst
ixpk= 3775, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 309, 474,
igr2=1459,1460,1461,
&end
#
# 33 PHE HE 22 LEU HB- 5.50 (# 3776:20 Unique 2.15, 4.59 A)
&rst
ixpk= 3776, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 500, 504,
igr2= 318, 319,
&end
#
# 21 TRP HH2 22 LEU MDY 5.50 (# 3777:20 Unique 3.84, 5.74 A)
&rst
ixpk= 3777, nxpk= 20, iat= 305, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 0 AMB 20-2:3779 96 LEU MDX 5.50 (# 3779:20 Single Ambig)
&rst
ixpk= 3779, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 409, 309,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 0 AMB 20-2:3780 74 ALA MB 3.50 (# 3780:20 Single Ambig)
&rst
ixpk= 3780, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1=1156,1157,1158,1160,1161,1162,1127,1128,1129,
igr2=1144,1145,1146,
&end
#
# 0 AMB 20-2:3781 74 ALA MB 3.50 (# 3781:20 Single Ambig)
&rst
ixpk= 3781, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1170,1171,1173,
igr2=1144,1145,1146,
&end
#
# 31 ARG HB+ 31 ARG HG+ 3.50 (# 3784:20 Unique 2.18, 2.74 A)
&rst
ixpk= 3784, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 446, 447,
igr2= 449, 450,
&end
#
# 31 ARG HB+ 31 ARG HG- 3.50 (# 3785:20 Unique 2.18, 2.74 A)
&rst
ixpk= 3785, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 446, 447,
igr2= 449, 450,
&end
#
# 82 LEU MDX 22 LEU MDX 3.50 (# 3786:20 Unique 2.18, 5.70 A)
&rst
ixpk= 3786, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1254,1255,1256,1258,1259,1260,
igr2= 323, 324, 325, 327, 328, 329,
&end
#
# 83 LYS HN 81 ALA MB 5.50 (# 3787:20 Unique 4.91, 5.49 A)
&rst
ixpk= 3787, nxpk= 20, iat=1264, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1239,1240,1241,
&end
#
# 35 ASN HA 81 ALA MB 5.50 (# 3788:20 Unique 4.28, 5.91 A)
&rst
ixpk= 3788, nxpk= 20, iat= 531, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1239,1240,1241,
&end
#
# 67 LEU MDY 20 ALA MB 4.50 (# 3789:20 Unique 3.00, 5.40 A)
&rst
ixpk= 3789, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1052,1053,1054,1056,1057,1058,
igr2= 284, 285, 286,
&end
#
# 115 SER HN 115 SER HB- 3.50 (# 3791:20 Unique 2.50, 3.28 A)
&rst
ixpk= 3791, nxpk= 20, iat=1767, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1771,1772,
&end
#
# 0 AMB 20-2:3792 67 LEU MDY 5.50 (# 3792:20 Single Ambig)
&rst
ixpk= 3792, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1647, 282,
igr2=1052,1053,1054,1056,1057,1058,
&end
#
# 0 AMB 20-2:49 0 AMB 20-1:49 3.50 (# 49:20 Double Ambig)
&rst
ixpk= 49, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 71, 98,
igr2= 75, 76, 77, 102, 103, 104,
&end
#
# 0 AMB 20-2:50 0 AMB 20-1:50 2.80 (# 50:20 Double Ambig)
&rst
ixpk= 50, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 73, 110,
igr2= 75, 76, 77, 112, 113, 114,
&end
#
# 0 AMB 20-2:1058 0 AMB 20-1:1058 2.80 (# 1058:20 Double Ambig)
&rst
ixpk= 1058, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 71, 98,
igr2= 73, 100,
&end
#
# 0 AMB 20-2:1059 0 AMB 20-1:1059 2.80 (# 1059:20 Double Ambig)
&rst
ixpk= 1059, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 75, 76, 77, 112, 113, 114,
igr2= 73, 110,
&end
#
# 0 AMB 20-2:3675 0 AMB 20-1:3675 4.50 (# 3675:20 Double Ambig )
&rst
ixpk= 3675, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 71, 108,
igr2= 75, 76, 77, 112, 113, 114,
&end
#
# 0 AMB 20-2:1890 83 LYS HB- 4.50 (# 1890:20 Single Ambig )
&rst
ixpk= 1890, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 733, 734, 735, 737, 738, 739, 747, 748, 749,
igr2=1268,1269,
&end
#
# 0 AMB 20-2:2181 63 ILE HG1+ 4.50 (# 2181:20 Single Ambig )
&rst
ixpk= 2181, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 929, 941,
igr2= 994, 995,
&end
#
# 105 PHE HB+ 110 VAL HA 5.50 (# 64:20 Unique)
&rst
ixpk= 64, nxpk= 20, iat= -1,1685, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1607,1608,
&end
#
# 114 CYS HN 111 VAL HA 3.50 (# 65:20 Unique)
&rst
ixpk= 65, nxpk= 20, iat=1756,1701, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 HIS HA 63 ILE QG2 4.50 (# 130:20 Unique 4.79, 5.44 A)
&rst
ixpk= 130, nxpk= 20, iat= 941, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 990, 991, 992,
&end
#
# 29 SER HN 27 ILE QG2 5.50 (# 336:20 Unique 3.33, 6.93 A)
&rst
ixpk= 336, nxpk= 20, iat= 423, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 396, 397, 398,
&end
#
# 48 ALA MB 55 PRO HA 4.50 (# 454:20 Unique 4.13, 5.10 A)
&rst
ixpk= 454, nxpk= 20, iat= -1, 873, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 747, 748, 749,
&end
#
# 13 THR HB 12 THR HA 4.50 (# 566:20 Unique 4.64, 4.77 A)
&rst
ixpk= 566, nxpk= 20, iat= 169, 153, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 ASN HB+ 12 THR HA 5.50 (# 569:20 Unique 3.85, 4.58 A)
&rst
ixpk= 569, nxpk= 20, iat= -1, 153, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 817, 818,
&end
#
# 111 VAL HB 108 PHE HA 2.80 (# 653:20 Unique 2.24, 2.36 A)
&rst
ixpk= 653, nxpk= 20, iat=1703,1653, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 13 THR HA 14 ILE QD1 4.50 (# 664:20 Unique)
&rst
ixpk= 664, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 192, 193, 194,
&end
#
# 14 ILE HG1- 14 ILE QD1 2.80 (# 668:20 Unique 2.37, 2.65 A)
&rst
ixpk= 668, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 189, 190,
igr2= 192, 193, 194,
&end
#
# 113 GLN HN 112 ARG HA 4.50 (# 693:20 Unique 3.53, 3.58 A)
&rst
ixpk= 693, nxpk= 20, iat=1739,1717, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 PRO HB- 66 PRO HD- 5.50 (# 1074:20 Unique 2.81, 3.67 A)
&rst
ixpk= 1074, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1036,1037,
igr2=1030,1031,
&end
#
# 66 PRO HB- 66 PRO HD- 5.50 (# 1089:20 Unique 2.81, 3.67 A)
&rst
ixpk= 1089, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1036,1037,
igr2=1030,1031,
&end
#
# 66 PRO HB- 66 PRO HD+ 5.50 (# 1103:20 Unique 2.81, 3.67 A)
&rst
ixpk= 1103, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1036,1037,
igr2=1030,1031,
&end
#
# 31 ARG HB- 31 ARG HD+ 2.80 (# 1188:20 Unique)
&rst
ixpk= 1188, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 446, 447,
igr2= 452, 453,
&end
#
# 3 GLN HB- 3 GLN HG- 2.80 (# 1810:20 Unique)
&rst
ixpk= 1810, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 44, 45,
igr2= 47, 48,
&end
#
# 113 GLN HB- 113 GLN HG+ 2.80 (# 1810:20 Unique)
&rst
ixpk= 1810, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1743,1744,
igr2=1746,1747,
&end
#
# 113 GLN HA 113 GLN HG+ 2.80 (# 1811:20 Unique)
&rst
ixpk= 1811, nxpk= 20, iat=1741, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1746,1747,
&end
#
# 48 ALA MB 49 MET HG- 5.50 (# 1959:20 Unique)
&rst
ixpk= 1959, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 747, 748, 749,
igr2= 760, 761,
&end
#
# 3 GLN HG- 3 GLN HB- 2.80 (# 2198:20 Unique)
&rst
ixpk= 2198, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 47, 48,
igr2= 44, 45,
&end
#
# 113 GLN HG+ 113 GLN HB- 2.80 (# 2198:20 Unique)
&rst
ixpk= 2198, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1746,1747,
igr2=1743,1744,
&end
#
# 3 GLN HA 3 GLN HB+ 2.80 (# 2218:20 Unique)
&rst
ixpk= 2218, nxpk= 20, iat= 42, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 44, 45,
&end
#
# 27 ILE QD1 114 CYS HB- 4.50 (# 2327:20 Unique 2.40, 5.41 A)
&rst
ixpk= 2327, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 403, 404, 405,
igr2=1760,1761,
&end
#
# 27 ILE QG2 114 CYS HB- 3.50 (# 2329:20 Unique 2.14, 4.92 A)
&rst
ixpk= 2329, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 396, 397, 398,
igr2=1760,1761,
&end
#
# 27 ILE QD1 114 CYS HB+ 4.50 (# 2336:20 Unique 2.40, 5.41 A)
&rst
ixpk= 2336, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 403, 404, 405,
igr2=1760,1761,
&end
#
# 27 ILE QG2 114 CYS HB+ 3.50 (# 2340:20 Unique 2.14, 4.92 A)
&rst
ixpk= 2340, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 396, 397, 398,
igr2=1760,1761,
&end
#
# 112 ARG HN 112 ARG HG- 4.50 (# 2395:20 Unique 2.41, 4.09 A)
&rst
ixpk= 2395, nxpk= 20, iat=1715, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1722,1723,
&end
#
# 19 LEU HN 16 LEU MDX 5.50 (# 2865:20 Unique 5.61, 7.24 A)
&rst
ixpk= 2865, nxpk= 20, iat= 261, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 221, 222, 223, 225, 226, 227,
&end
#
# 13 THR HN 12 THR HB 3.50 (# 3060:20 Unique)
&rst
ixpk= 3060, nxpk= 20, iat= 165, 155, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 VAL HB 111 VAL MGX 2.80 (# 3102:20 Unique 2.42, 2.64 A)
&rst
ixpk= 3102, nxpk= 20, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1705,1706,1707,1709,1710,1711,
&end
#
# 114 CYS HN 111 VAL MGX 4.50 (# 3136:20 Unique 4.88, 6.30 A)
&rst
ixpk= 3136, nxpk= 20, iat=1756, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1705,1706,1707,1709,1710,1711,
&end
#
# 118 THR HN 118 THR HB 3.50 (# 3167:20 Unique 2.07, 2.32 A)
&rst
ixpk= 3167, nxpk= 20, iat=1801,1805, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 THR MG2 118 THR HB 2.80 (# 3168:20 Unique)
&rst
ixpk= 3168, nxpk= 20, iat= -1,1805, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1807,1808,1809,
&end
#
# 12 THR HA 13 THR HB 5.50 (# 3397:20 Unique)
&rst
ixpk= 3397, nxpk= 20, iat= 153, 169, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 VAL HB 111 VAL MGY 2.80 (# 3453:20 Unique 2.42, 2.64 A)
&rst
ixpk= 3453, nxpk= 20, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1705,1706,1707,1709,1710,1711,
&end
#
# 115 SER HB- 117 VAL MGY 3.50 (# 3468:20 Unique 2.18, 5.34 A)
&rst
ixpk= 3468, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1771,1772,
igr2=1791,1792,1793,1795,1796,1797,
&end
#
# 2 ARG HD- 2 ARG HA 5.50 (# 3514:20 Unique 2.51, 4.52 A)
&rst
ixpk= 3514, nxpk= 20, iat= -1, 18, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 26, 27,
&end
#
# 11 ASP HB+ 11 ASP HA 4.50 (# 3562:20 Unique)
&rst
ixpk= 3562, nxpk= 20, iat= -1, 141, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 143, 144,
&end
#
# 112 ARG HN 112 ARG HG+ 4.50 (# 3630:20 Unique 2.41, 4.09 A)
&rst
ixpk= 3630, nxpk= 20, iat=1715, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1722,1723,
&end
#
# 7 ALA HA 7 ALA MB 2.80 (# 3676:20 Unique)
&rst
ixpk= 3676, nxpk= 20, iat= 100, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 102, 103, 104,
&end
#
# 4 THR HA 4 THR MG2 3.50 (# 3690:20 Unique 2.36, 3.06 A)
&rst
ixpk= 3690, nxpk= 20, iat= 59, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 63, 64, 65,
&end
#
# 39 THR MG2 39 THR HB 2.80 (# 3764:20 Unique 2.39, 2.65 A)
&rst
ixpk= 3764, nxpk= 20, iat= -1, 605, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 607, 608, 609,
&end
#
# 44 PHE HB- 41 LEU HA 3.50 (# 697:20 Unique 2.32, 3.15 A)
&rst
ixpk= 697, nxpk= 20, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 678, 679,
&end
#
# 110 VAL MGX 105 PHE HB+ 3.50 (# 1540:20 Unique 2.48, 4.89 A)
&rst
ixpk= 1540, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1689,1690,1691,1693,1694,1695,
igr2=1607,1608,
&end
#
# 67 LEU HA 70 GLN HG+ 5.50 (# 1849:20 Unique 3.80, 4.56 A)
&rst
ixpk= 1849, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1090,1091,
&end
#
# 109 ASP HN 110 VAL HB 5.50 (# 2019:20 Unique 4.53, 4.69 A)
&rst
ixpk= 2019, nxpk= 20, iat=1671,1687, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 VAL MGX 114 CYS HB- 5.50 (# 2296:20 Unique)
&rst
ixpk= 2296, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1705,1706,1707,1709,1710,1711,
igr2=1760,1761,
&end
#
# 111 VAL MGX 114 CYS HB+ 4.50 (# 2299:20 Unique)
&rst
ixpk= 2299, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1705,1706,1707,1709,1710,1711,
igr2=1760,1761,
&end
#
# 27 ILE QD1 114 CYS HB- 5.50 (# 2333:20 Unique 2.40, 5.41 A)
&rst
ixpk= 2333, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 403, 404, 405,
igr2=1760,1761,
&end
#
# 111 VAL MGX 114 CYS HB+ 4.50 (# 2334:20 Unique)
&rst
ixpk= 2334, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1705,1706,1707,1709,1710,1711,
igr2=1760,1761,
&end
#
# 83 LYS HE- 39 THR HB 5.50 (# 3127:20 Unique)
&rst
ixpk= 3127, nxpk= 20, iat= -1, 605, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1277,1278,
&end
#
# 105 PHE HB+ 110 VAL MGX 2.80 (# 3251:20 Unique 2.48, 4.89 A)
&rst
ixpk= 3251, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1607,1608,
igr2=1689,1690,1691,1693,1694,1695,
&end
#
# 67 LEU HA 70 GLN HG- 4.50 (# 3638:20 Unique 3.80, 4.56 A)
&rst
ixpk= 3638, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1090,1091,
&end
Contact the webmaster for help, if required. Thursday, April 18, 2024 10:40:50 PM GMT (wattos1)