NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
15960 |
1z7p   |
6410 | cing | 1-original | 4 | AMBER | distance | general distance | simple |
# 30 TYR HE 31 CYS HB+ 5.50 (# 1:25 Unique 4.74, 6.27 A)
&rst
ixpk= 1, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 457, 462,
igr2= 473, 472,
&end
#
# 30 TYR HE 31 CYS HB- 4.50 (# 2:25 Unique 4.74, 6.27 A)
&rst
ixpk= 2, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 457, 462,
igr2= 473, 472,
&end
#
# 97 ARG HN 97 ARG HB+ 4.50 (# 3:25 Unique 2.32, 3.02 A)
&rst
ixpk= 3, nxpk= 25, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1458,1459,
&end
#
# 97 ARG HN 97 ARG HB- 5.50 (# 4:25 Unique 2.32, 3.02 A)
&rst
ixpk= 4, nxpk= 25, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1458,1459,
&end
#
# 65 ALA HN 64 SER HB+ 4.50 (# 5:25 Unique 2.48, 3.21 A)
&rst
ixpk= 5, nxpk= 25, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 976, 977,
&end
#
# 64 SER HN 64 SER HB+ 3.50 (# 6:25 Unique 2.54, 3.09 A)
&rst
ixpk= 6, nxpk= 25, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 976, 977,
&end
#
# 65 ALA HN 64 SER HB- 4.50 (# 7:25 Unique 2.48, 3.21 A)
&rst
ixpk= 7, nxpk= 25, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 976, 977,
&end
#
# 64 SER HN 64 SER HB- 3.50 (# 8:25 Unique 2.54, 3.09 A)
&rst
ixpk= 8, nxpk= 25, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 976, 977,
&end
#
# 55 GLU HN 55 GLU HB+ 4.50 (# 9:25 Unique 2.34, 2.92 A)
&rst
ixpk= 9, nxpk= 25, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 848, 849,
&end
#
# 55 GLU HN 55 GLU HB- 4.50 (# 10:25 Unique 2.34, 2.92 A)
&rst
ixpk= 10, nxpk= 25, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 848, 849,
&end
#
# 58 ASP HN 57 SER QB 4.50 (# 11:25 Unique 2.96, 3.70 A)
&rst
ixpk= 11, nxpk= 25, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 882, 883,
&end
#
# 60 SER HN 60 SER HA 4.50 (# 12:25 Unique 2.76, 2.78 A)
&rst
ixpk= 12, nxpk= 25, iat= 908, 910, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:13 0 AMB 25-1:13 4.50 (# 13:25 Double Ambig)
&rst
ixpk= 13, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 955, 936,
igr2= 910, 976, 977,
&end
#
# 89 ASP HN 88 CYS HA 5.50 (# 14:25 Unique 3.58, 3.59 A)
&rst
ixpk= 14, nxpk= 25, iat=1325,1316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 VAL HN 88 CYS HA 5.50 (# 15:25 Unique 3.56, 3.64 A)
&rst
ixpk= 15, nxpk= 25, iat=1351,1316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 CYS HN 88 CYS HA 5.50 (# 16:25 Unique 2.77, 2.79 A)
&rst
ixpk= 16, nxpk= 25, iat=1314,1316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 HIS HN 68 HIS HB+ 3.50 (# 17:25 Unique 2.06, 2.45 A)
&rst
ixpk= 17, nxpk= 25, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1026,1027,
&end
#
# 68 HIS HD2 68 HIS HB+ 5.50 (# 18:25 Unique 2.58, 3.22 A)
&rst
ixpk= 18, nxpk= 25, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1026,1027,
&end
#
# 69 TRP HN 68 HIS HB- 4.50 (# 19:25 Unique 2.75, 3.47 A)
&rst
ixpk= 19, nxpk= 25, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1026,1027,
&end
#
# 0 AMB 25-2:20 68 HIS HB- 5.50 (# 20:25 Single Ambig)
&rst
ixpk= 20, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1012, 983,1063,
igr2=1026,1027,
&end
#
# 68 HIS HN 68 HIS HB- 3.50 (# 21:25 Unique 2.06, 2.45 A)
&rst
ixpk= 21, nxpk= 25, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1026,1027,
&end
#
# 68 HIS HD2 68 HIS HB- 5.50 (# 22:25 Unique 2.58, 3.22 A)
&rst
ixpk= 22, nxpk= 25, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1026,1027,
&end
#
# 61 GLN HN 0 AMB 25-1:23 4.50 (# 23:25 Single Ambig)
&rst
ixpk= 23, nxpk= 25, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 910, 976, 977,
&end
#
# 7 LEU HN 6 GLU HB- 4.50 (# 24:25 Unique 2.57, 3.22 A)
&rst
ixpk= 24, nxpk= 25, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 85, 86,
&end
#
# 6 GLU HN 6 GLU HB- 3.50 (# 25:25 Unique 2.28, 2.95 A)
&rst
ixpk= 25, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 85, 86,
&end
#
# 7 LEU HN 6 GLU HB+ 4.50 (# 26:25 Unique 2.57, 3.22 A)
&rst
ixpk= 26, nxpk= 25, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 85, 86,
&end
#
# 6 GLU HN 6 GLU HB+ 4.50 (# 27:25 Unique 2.28, 2.95 A)
&rst
ixpk= 27, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 85, 86,
&end
#
# 33 TYR HN 33 TYR HA 5.50 (# 28:25 Unique 2.84, 2.86 A)
&rst
ixpk= 28, nxpk= 25, iat= 485, 487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 SER HN 60 SER QB 5.50 (# 29:25 Unique 2.66, 3.11 A)
&rst
ixpk= 29, nxpk= 25, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 912, 913,
&end
#
# 0 AMB 25-2:31 64 SER HA 4.50 (# 31:25 Single Ambig)
&rst
ixpk= 31, nxpk= 25, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1012, 983,
&end
#
# 64 SER HN 64 SER HA 4.50 (# 32:25 Unique 2.81, 2.84 A)
&rst
ixpk= 32, nxpk= 25, iat= 972, 974, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 THR HN 70 THR HA 4.50 (# 33:25 Unique 2.90, 2.95 A)
&rst
ixpk= 33, nxpk= 25, iat=1063,1065, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:34 70 THR HA 4.50 (# 34:25 Single Ambig)
&rst
ixpk= 34, nxpk= 25, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1077,1168,1169,
&end
#
# 0 AMB 25-2:35 0 AMB 25-1:35 5.50 (# 35:25 Double Ambig)
&rst
ixpk= 35, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1680, 517,
igr2=1658, 487,
&end
#
# 33 TYR HD 33 TYR HA 4.50 (# 36:25 Unique 2.42, 3.46 A)
&rst
ixpk= 36, nxpk= 25, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 493, 502,
&end
#
# 0 AMB 25-2:37 60 SER QB 5.50 (# 37:25 Single Ambig)
&rst
ixpk= 37, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 936, 955,
igr2= 912, 913,
&end
#
# 44 VAL HN 44 VAL HA 3.50 (# 38:25 Unique 2.86, 2.92 A)
&rst
ixpk= 38, nxpk= 25, iat= 679, 681, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 ARG HN 36 ARG HB- 3.50 (# 39:25 Unique 2.32, 2.64 A)
&rst
ixpk= 39, nxpk= 25, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 535, 536,
&end
#
# 116 GLN HN 116 GLN HB+ 5.50 (# 40:25 Unique 2.48, 3.42 A)
&rst
ixpk= 40, nxpk= 25, iat=1740, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1744,1745,
&end
#
# 36 ARG HN 36 ARG HB+ 3.50 (# 41:25 Unique 2.32, 2.64 A)
&rst
ixpk= 41, nxpk= 25, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 535, 536,
&end
#
# 116 GLN HN 116 GLN HB- 4.50 (# 42:25 Unique 2.48, 3.42 A)
&rst
ixpk= 42, nxpk= 25, iat=1740, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1744,1745,
&end
#
# 13 LYS HN 12 LYS QD 5.50 (# 43:25 Unique 3.51, 5.30 A)
&rst
ixpk= 43, nxpk= 25, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 176, 177,
&end
#
# 12 LYS HN 12 LYS QD 4.50 (# 44:25 Unique 3.61, 4.83 A)
&rst
ixpk= 44, nxpk= 25, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 176, 177,
&end
#
# 50 VAL HN 49 LYS QD 4.50 (# 45:25 Unique 2.71, 4.65 A)
&rst
ixpk= 45, nxpk= 25, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 754, 755,
&end
#
# 0 AMB 25-2:46 15 LYS QD 4.50 (# 46:25 Single Ambig)
&rst
ixpk= 46, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 220, 242,
igr2= 230, 231,
&end
#
# 0 AMB 25-2:47 0 AMB 25-1:47 3.50 (# 47:25 Double Ambig)
&rst
ixpk= 47, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1656, 555,
igr2=1658, 487,
&end
#
# 47 SER HN 110 THR HA 5.50 (# 48:25 Unique 3.21, 3.81 A)
&rst
ixpk= 48, nxpk= 25, iat= 712,1658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 ALA HN 110 THR HA 3.50 (# 49:25 Unique 2.19, 2.77 A)
&rst
ixpk= 49, nxpk= 25, iat=1670,1658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 ASP HN 57 SER HA 5.50 (# 50:25 Unique 3.44, 3.50 A)
&rst
ixpk= 50, nxpk= 25, iat= 889, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU HN 16 GLU HB+ 5.50 (# 51:25 Unique 2.36, 3.05 A)
&rst
ixpk= 51, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 246, 247,
&end
#
# 16 GLU HN 16 GLU HB+ 3.50 (# 52:25 Unique 2.11, 2.72 A)
&rst
ixpk= 52, nxpk= 25, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 246, 247,
&end
#
# 17 LEU HN 16 GLU HB+ 5.50 (# 53:25 Unique 2.36, 3.05 A)
&rst
ixpk= 53, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 246, 247,
&end
#
# 0 AMB 25-2:54 0 AMB 25-1:54 3.50 (# 54:25 Double Ambig)
&rst
ixpk= 54, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1383,1398,
igr2=1387,1388,1387,1388,
&end
#
# 0 AMB 25-2:55 93 GLU HB- 2.50 (# 55:25 Single Ambig)
&rst
ixpk= 55, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1383,1398,
igr2=1387,1388,
&end
#
# 17 LEU HN 16 GLU HB- 4.50 (# 56:25 Unique 2.36, 3.05 A)
&rst
ixpk= 56, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 246, 247,
&end
#
# 16 GLU HN 16 GLU HB- 3.50 (# 57:25 Unique 2.11, 2.72 A)
&rst
ixpk= 57, nxpk= 25, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 246, 247,
&end
#
# 0 AMB 25-2:58 51 VAL HA 2.50 (# 58:25 Single Ambig)
&rst
ixpk= 58, nxpk= 25, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 798, 782,
&end
#
# 0 AMB 25-2:59 94 LYS HD- 5.50 (# 59:25 Single Ambig)
&rst
ixpk= 59, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1398,1420,1383,
igr2=1408,1409,
&end
#
# 94 LYS HN 94 LYS HD+ 5.50 (# 60:25 Unique 3.84, 4.23 A)
&rst
ixpk= 60, nxpk= 25, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1408,1409,
&end
#
# 83 LYS HN 83 LYS QD 5.50 (# 61:25 Unique 4.76, 5.22 A)
&rst
ixpk= 61, nxpk= 25, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1252,1253,
&end
#
# 84 GLN HN 83 LYS QD 5.50 (# 62:25 Unique 2.39, 5.26 A)
&rst
ixpk= 62, nxpk= 25, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1252,1253,
&end
#
# 21 ALA HN 20 SER HA 4.50 (# 63:25 Unique 3.42, 3.45 A)
&rst
ixpk= 63, nxpk= 25, iat= 308, 299, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 CYS HN 34 CYS HB+ 5.50 (# 64:25 Unique 2.42, 2.93 A)
&rst
ixpk= 64, nxpk= 25, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 510, 511,
&end
#
# 35 ASN HN 34 CYS HB- 5.50 (# 65:25 Unique 2.43, 3.09 A)
&rst
ixpk= 65, nxpk= 25, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 510, 511,
&end
#
# 20 SER HN 20 SER HA 4.50 (# 66:25 Unique 2.81, 2.88 A)
&rst
ixpk= 66, nxpk= 25, iat= 297, 299, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:67 0 AMB 25-1:67 5.50 (# 67:25 Double Ambig)
&rst
ixpk= 67, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1478, 629,
igr2=1441,1442, 666, 667,
&end
#
# 44 VAL HN 43 GLN QB 3.50 (# 68:25 Unique 2.70, 3.28 A)
&rst
ixpk= 68, nxpk= 25, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 666, 667,
&end
#
# 43 GLN HN 43 GLN QB 2.50 (# 69:25 Unique 2.31, 2.97 A)
&rst
ixpk= 69, nxpk= 25, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 666, 667,
&end
#
# 64 SER HN 63 GLN HB+ 4.50 (# 70:25 Unique 2.57, 3.26 A)
&rst
ixpk= 70, nxpk= 25, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 959, 960,
&end
#
# 64 SER HN 63 GLN HB- 4.50 (# 71:25 Unique 2.57, 3.26 A)
&rst
ixpk= 71, nxpk= 25, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 959, 960,
&end
#
# 105 GLN HN 105 GLN HB+ 3.50 (# 72:25 Unique 2.30, 3.00 A)
&rst
ixpk= 72, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1601,1602,
&end
#
# 0 AMB 25-2:73 0 AMB 25-1:73 4.50 (# 73:25 Double Ambig)
&rst
ixpk= 73, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1449,1450,1559,
igr2=1441,1442,1549,1550,
&end
#
# 39 GLN HN 39 GLN QB 2.50 (# 74:25 Unique 2.38, 3.04 A)
&rst
ixpk= 74, nxpk= 25, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 597, 598,
&end
#
# 40 LEU HN 39 GLN QB 3.50 (# 75:25 Unique 2.57, 3.26 A)
&rst
ixpk= 75, nxpk= 25, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 597, 598,
&end
#
# 0 AMB 25-2:76 0 AMB 25-1:76 3.50 (# 76:25 Double Ambig)
&rst
ixpk= 76, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 64,1702,
igr2= 68, 69,1601,1602,
&end
#
# 0 AMB 25-2:77 0 AMB 25-1:77 5.50 (# 77:25 Double Ambig)
&rst
ixpk= 77, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1730,1680, 96,
igr2=1601,1602, 68, 69,
&end
#
# 5 GLN HN 5 GLN HB- 3.50 (# 78:25 Unique 2.20, 2.54 A)
&rst
ixpk= 78, nxpk= 25, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 68, 69,
&end
#
# 33 TYR HN 31 CYS HA 5.50 (# 79:25 Unique 3.23, 3.89 A)
&rst
ixpk= 79, nxpk= 25, iat= 485, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 GLY HN 31 CYS HA 3.50 (# 80:25 Unique 2.10, 2.15 A)
&rst
ixpk= 80, nxpk= 25, iat= 478, 470, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 TYR HD 31 CYS HA 5.50 (# 81:25 Unique 2.76, 4.50 A)
&rst
ixpk= 81, nxpk= 25, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 455, 464,
&end
#
# 66 LEU HN 63 GLN HA 5.50 (# 82:25 Unique 3.09, 3.38 A)
&rst
ixpk= 82, nxpk= 25, iat= 993, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLN HN 63 GLN HA 3.50 (# 83:25 Unique 2.78, 2.83 A)
&rst
ixpk= 83, nxpk= 25, iat= 955, 957, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 SER HN 63 GLN HA 5.50 (# 84:25 Unique 3.53, 3.61 A)
&rst
ixpk= 84, nxpk= 25, iat= 972, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:85 38 LYS HA 3.50 (# 85:25 Single Ambig)
&rst
ixpk= 85, nxpk= 25, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 571, 593, 629,
&end
#
# 48 TYR HE 38 LYS HA 4.50 (# 86:25 Unique 2.86, 3.99 A)
&rst
ixpk= 86, nxpk= 25, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 733, 738,
&end
#
# 0 AMB 25-2:87 0 AMB 25-1:87 4.50 (# 87:25 Double Ambig)
&rst
ixpk= 87, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1=1420, 648,1383,1398,
igr2=1441,1442, 666, 667,1441,1442,1441,1442,
&end
#
# 0 AMB 25-2:88 0 AMB 25-1:88 4.50 (# 88:25 Double Ambig)
&rst
ixpk= 88, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 674, 675,1449,1450,1454,
igr2= 666, 667,1441,1442,1441,1442,
&end
#
# 0 AMB 25-2:89 0 AMB 25-1:89 5.50 (# 89:25 Double Ambig)
&rst
ixpk= 89, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 332, 967, 968,
igr2= 322, 323, 959, 960,
&end
#
# 96 GLN HN 96 GLN HB- 3.50 (# 90:25 Unique 2.35, 3.03 A)
&rst
ixpk= 90, nxpk= 25, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1441,1442,
&end
#
# 0 AMB 25-2:91 96 GLN HB- 5.50 (# 91:25 Single Ambig)
&rst
ixpk= 91, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1420,1383,1398,
igr2=1441,1442,
&end
#
# 0 AMB 25-2:92 0 AMB 25-1:92 4.50 (# 92:25 Double Ambig)
&rst
ixpk= 92, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1609,1610,1454,
igr2=1601,1602,1441,1442,
&end
#
# 105 GLN HN 105 GLN HB- 3.50 (# 93:25 Unique 2.30, 3.00 A)
&rst
ixpk= 93, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1601,1602,
&end
#
# 101 LEU HN 101 LEU HG 4.50 (# 94:25 Unique 3.30, 4.24 A)
&rst
ixpk= 94, nxpk= 25, iat=1526,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 TYR HE 31 CYS HA 4.50 (# 95:25 Unique 3.63, 5.15 A)
&rst
ixpk= 95, nxpk= 25, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 457, 462,
&end
#
# 101 LEU HN 101 LEU HA 4.50 (# 96:25 Unique 2.80, 2.83 A)
&rst
ixpk= 96, nxpk= 25, iat=1526,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 TRP HZ3 15 LYS HA 4.50 (# 97:25 Unique 3.23, 3.45 A)
&rst
ixpk= 97, nxpk= 25, iat=1056, 222, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLN HN 61 GLN HB+ 4.50 (# 98:25 Unique 2.02, 3.09 A)
&rst
ixpk= 98, nxpk= 25, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 923, 924,
&end
#
# 62 LEU HN 61 GLN HB- 4.50 (# 99:25 Unique 2.57, 3.42 A)
&rst
ixpk= 99, nxpk= 25, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 923, 924,
&end
#
# 61 GLN HN 61 GLN HB- 4.50 (# 100:25 Unique 2.02, 3.09 A)
&rst
ixpk= 100, nxpk= 25, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 923, 924,
&end
#
# 97 ARG HN 97 ARG HG- 4.50 (# 101:25 Unique 2.34, 3.05 A)
&rst
ixpk= 101, nxpk= 25, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1461,1462,
&end
#
# 97 ARG HN 97 ARG HG+ 4.50 (# 102:25 Unique 2.34, 3.05 A)
&rst
ixpk= 102, nxpk= 25, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1461,1462,
&end
#
# 105 GLN HN 101 LEU HA 5.50 (# 104:25 Unique 3.79, 3.93 A)
&rst
ixpk= 104, nxpk= 25, iat=1597,1528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 GLN HN 61 GLN HA 3.50 (# 105:25 Unique 2.88, 2.93 A)
&rst
ixpk= 105, nxpk= 25, iat= 919, 921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:106 93 GLU HA 3.50 (# 106:25 Single Ambig)
&rst
ixpk= 106, nxpk= 25, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1383,1398,
&end
#
# 94 LYS HN 94 LYS HA 3.50 (# 107:25 Unique 2.85, 2.87 A)
&rst
ixpk= 107, nxpk= 25, iat=1398,1400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 ARG HN 94 LYS HA 5.50 (# 108:25 Unique 3.17, 3.32 A)
&rst
ixpk= 108, nxpk= 25, iat=1454,1400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 LYS HN 12 LYS HA 3.50 (# 109:25 Unique 2.82, 2.84 A)
&rst
ixpk= 109, nxpk= 25, iat= 166, 168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 LYS HN 12 LYS HA 4.50 (# 110:25 Unique 3.60, 3.61 A)
&rst
ixpk= 110, nxpk= 25, iat= 188, 168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:111 15 LYS HA 3.50 (# 111:25 Single Ambig)
&rst
ixpk= 111, nxpk= 25, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 220, 242,
&end
#
# 18 ALA HN 15 LYS HA 5.50 (# 112:25 Unique 3.11, 3.43 A)
&rst
ixpk= 112, nxpk= 25, iat= 276, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 TRP HH2 15 LYS HA 3.50 (# 113:25 Unique 2.21, 2.39 A)
&rst
ixpk= 113, nxpk= 25, iat=1054, 222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 ARG HN 36 ARG HG- 4.50 (# 114:25 Unique 2.36, 4.15 A)
&rst
ixpk= 114, nxpk= 25, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 538, 539,
&end
#
# 63 GLN HE2+ 74 THR HA 5.50 (# 115:25 Unique 2.84, 4.30 A)
&rst
ixpk= 115, nxpk= 25, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 967, 968,
&end
#
# 75 VAL HN 74 THR HA 2.50 (# 116:25 Unique 2.19, 2.43 A)
&rst
ixpk= 116, nxpk= 25, iat=1129,1117, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 25-2:117 74 THR HA 4.50 (# 117:25 Single Ambig)
&rst
ixpk= 117, nxpk= 25, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1115, 967, 968,
&end
#
# 0 AMB 25-2:118 68 HIS HA 5.50 (# 118:25 Single Ambig)
&rst
ixpk= 118, nxpk= 25, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1063,1012,
&end
#
# 68 HIS HN 68 HIS HA 3.50 (# 119:25 Unique 2.80, 2.83 A)
&rst
ixpk= 119, nxpk= 25, iat=1022,1024, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:120 0 AMB 25-1:120 4.50 (# 120:25 Double Ambig)
&rst
ixpk= 120, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1039,1209,
igr2=1024,1283,
&end
#
# 86 GLY HN 85 ILE HA 5.50 (# 121:25 Unique 3.62, 3.65 A)
&rst
ixpk= 121, nxpk= 25, iat=1300,1283, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:122 0 AMB 25-1:122 3.50 (# 122:25 Double Ambig)
&rst
ixpk= 122, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 188, 555,
igr2= 190, 533,
&end
#
# 0 AMB 25-2:123 0 AMB 25-1:123 5.50 (# 123:25 Double Ambig)
&rst
ixpk= 123, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1449,1450, 605, 606, 674, 675,
igr2=1385, 533, 664,
&end
#
# 0 AMB 25-2:124 0 AMB 25-1:124 3.50 (# 124:25 Double Ambig)
&rst
ixpk= 124, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 662, 115,
igr2= 664, 44,
&end
#
# 53 LEU HN 53 LEU HG 4.50 (# 125:25 Unique 2.20, 3.09 A)
&rst
ixpk= 125, nxpk= 25, iat= 813, 820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 115 ALA HN 114 PRO QG 5.50 (# 126:25 Unique 2.75, 4.28 A)
&rst
ixpk= 126, nxpk= 25, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1720,1721,
&end
#
# 62 LEU HN 62 LEU MDX 3.50 (# 127:25 Unique 2.40, 4.70 A)
&rst
ixpk= 127, nxpk= 25, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 36 ARG HN 36 ARG HG+ 4.50 (# 128:25 Unique 2.36, 4.15 A)
&rst
ixpk= 128, nxpk= 25, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 538, 539,
&end
#
# 0 AMB 25-2:129 0 AMB 25-1:129 5.50 (# 129:25 Double Ambig)
&rst
ixpk= 129, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 544,1276,1277,
igr2= 538, 539,1268,1269,
&end
#
# 117 LEU HN 117 LEU HG 5.50 (# 130:25 Unique 2.52, 4.32 A)
&rst
ixpk= 130, nxpk= 25, iat=1757,1764, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 THR HN 72 ARG HG+ 5.50 (# 131:25 Unique 2.29, 3.57 A)
&rst
ixpk= 131, nxpk= 25, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1091,1092,
&end
#
# 0 AMB 25-2:132 0 AMB 25-1:132 5.50 (# 132:25 Double Ambig)
&rst
ixpk= 132, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1168,1169,1084,
igr2=1091,1092,1091,1092,
&end
#
# 11 LEU HN 11 LEU HG 5.50 (# 133:25 Unique 4.43, 4.51 A)
&rst
ixpk= 133, nxpk= 25, iat= 147, 154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:134 72 ARG HG- 5.50 (# 134:25 Single Ambig)
&rst
ixpk= 134, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1168,1169,1084,
igr2=1091,1092,
&end
#
# 74 THR HN 72 ARG HG- 5.50 (# 135:25 Unique 2.29, 3.57 A)
&rst
ixpk= 135, nxpk= 25, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1091,1092,
&end
#
# 0 AMB 25-2:136 40 LEU MDY 5.50 (# 136:25 Single Ambig)
&rst
ixpk= 136, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 610, 679,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 85 ILE HN 85 ILE HA 4.50 (# 137:25 Unique 2.99, 2.99 A)
&rst
ixpk= 137, nxpk= 25, iat=1281,1283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:138 0 AMB 25-1:138 4.50 (# 138:25 Double Ambig)
&rst
ixpk= 138, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1609,1610, 931, 932,
igr2=1599, 83,
&end
#
# 39 GLN HN 39 GLN HA 3.50 (# 139:25 Unique 2.84, 2.86 A)
&rst
ixpk= 139, nxpk= 25, iat= 593, 595, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 LEU HN 39 GLN HA 4.50 (# 140:25 Unique 3.59, 3.61 A)
&rst
ixpk= 140, nxpk= 25, iat= 610, 595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 LEU HN 16 GLU HA 4.50 (# 141:25 Unique 3.59, 3.60 A)
&rst
ixpk= 141, nxpk= 25, iat= 257, 244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 GLU HN 16 GLU HA 3.50 (# 142:25 Unique 2.80, 2.84 A)
&rst
ixpk= 142, nxpk= 25, iat= 242, 244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 CYS HN 88 CYS HB+ 5.50 (# 143:25 Unique 2.33, 2.95 A)
&rst
ixpk= 143, nxpk= 25, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1318,1319,
&end
#
# 89 ASP HN 88 CYS HB+ 5.50 (# 144:25 Unique 2.46, 3.48 A)
&rst
ixpk= 144, nxpk= 25, iat=1325, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1318,1319,
&end
#
# 88 CYS HN 88 CYS HB- 4.50 (# 145:25 Unique 2.33, 2.95 A)
&rst
ixpk= 145, nxpk= 25, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1318,1319,
&end
#
# 85 ILE HN 85 ILE HG1- 5.50 (# 147:25 Unique 2.66, 3.45 A)
&rst
ixpk= 147, nxpk= 25, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1291,1292,
&end
#
# 85 ILE HN 84 GLN HB+ 5.50 (# 148:25 Unique 3.11, 4.15 A)
&rst
ixpk= 148, nxpk= 25, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1268,1269,
&end
#
# 84 GLN HN 84 GLN HB+ 3.50 (# 149:25 Unique 2.19, 2.51 A)
&rst
ixpk= 149, nxpk= 25, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1268,1269,
&end
#
# 0 AMB 25-2:150 0 AMB 25-1:150 4.50 (# 150:25 Double Ambig)
&rst
ixpk= 150, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 993,1597,
igr2=1000,1514,
&end
#
# 73 GLY HN 72 ARG HG+ 5.50 (# 151:25 Unique 1.98, 4.24 A)
&rst
ixpk= 151, nxpk= 25, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1091,1092,
&end
#
# 84 GLN HN 84 GLN HB- 4.50 (# 152:25 Unique 2.19, 2.51 A)
&rst
ixpk= 152, nxpk= 25, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1268,1269,
&end
#
# 85 ILE HN 85 ILE HG1+ 5.50 (# 153:25 Unique 2.66, 3.45 A)
&rst
ixpk= 153, nxpk= 25, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1291,1292,
&end
#
# 80 ILE HN 85 ILE HG1+ 5.50 (# 154:25 Unique 2.27, 2.97 A)
&rst
ixpk= 154, nxpk= 25, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1291,1292,
&end
#
# 5 GLN HN 5 GLN HA 3.50 (# 155:25 Unique 2.81, 2.87 A)
&rst
ixpk= 155, nxpk= 25, iat= 64, 66, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:156 5 GLN HA 3.50 (# 156:25 Single Ambig)
&rst
ixpk= 156, nxpk= 25, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 81, 127,
&end
#
# 69 TRP HE3 66 LEU HA 4.50 (# 157:25 Unique 2.36, 2.85 A)
&rst
ixpk= 157, nxpk= 25, iat=1058, 995, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 LYS HN 4 LYS HA 3.50 (# 158:25 Unique 2.74, 2.83 A)
&rst
ixpk= 158, nxpk= 25, iat= 42, 44, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 LEU HN 0 AMB 25-1:159 3.50 (# 159:25 Single Ambig)
&rst
ixpk= 159, nxpk= 25, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 44, 83,
&end
#
# 0 AMB 25-2:160 96 GLN HA 4.50 (# 160:25 Single Ambig)
&rst
ixpk= 160, nxpk= 25, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1454,1449,1450,
&end
#
# 96 GLN HN 96 GLN HA 3.50 (# 161:25 Unique 2.81, 2.84 A)
&rst
ixpk= 161, nxpk= 25, iat=1437,1439, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:162 0 AMB 25-1:162 4.50 (# 162:25 Double Ambig)
&rst
ixpk= 162, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 96, 517,
igr2= 103, 538, 539,
&end
#
# 8 ASP HN 7 LEU HG 5.50 (# 163:25 Unique 3.82, 4.05 A)
&rst
ixpk= 163, nxpk= 25, iat= 115, 103, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LEU HN 41 LEU HG 4.50 (# 164:25 Unique 2.35, 2.83 A)
&rst
ixpk= 164, nxpk= 25, iat= 629, 636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:165 0 AMB 25-1:165 5.50 (# 165:25 Double Ambig)
&rst
ixpk= 165, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1420,1012,1398,
igr2=1514,1000,
&end
#
# 17 LEU HN 17 LEU HG 4.50 (# 166:25 Unique 2.40, 2.47 A)
&rst
ixpk= 166, nxpk= 25, iat= 257, 264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 GLN HN 104 LEU HG 5.50 (# 167:25 Unique 4.45, 4.62 A)
&rst
ixpk= 167, nxpk= 25, iat=1597,1585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HN 104 LEU HG 4.50 (# 168:25 Unique 2.46, 2.53 A)
&rst
ixpk= 168, nxpk= 25, iat=1578,1585, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 GLN HN 105 GLN HA 3.50 (# 169:25 Unique 2.83, 2.86 A)
&rst
ixpk= 169, nxpk= 25, iat=1597,1599, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:170 0 AMB 25-1:170 5.50 (# 170:25 Double Ambig)
&rst
ixpk= 170, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1609,1610, 931, 932,
igr2=1599, 83,
&end
#
# 0 AMB 25-2:171 6 GLU HA 3.50 (# 171:25 Single Ambig)
&rst
ixpk= 171, nxpk= 25, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 81, 127, 137,
&end
#
# 98 ASN HN 96 GLN HA 5.50 (# 172:25 Unique 3.40, 3.62 A)
&rst
ixpk= 172, nxpk= 25, iat=1478,1439, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 LEU HN 103 LEU HG 4.50 (# 173:25 Unique 4.35, 4.42 A)
&rst
ixpk= 173, nxpk= 25, iat=1559,1566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 SER HN 66 LEU HG 7.00 (# 175:25 Unique 6.07, 6.49 A)
&rst
ixpk= 175, nxpk= 25, iat= 400,1000, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 18 ALA HN 17 LEU HG 5.50 (# 176:25 Unique 4.52, 4.57 A)
&rst
ixpk= 176, nxpk= 25, iat= 276, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 PHE HZ 17 LEU HG 5.50 (# 177:25 Unique 4.94, 5.13 A)
&rst
ixpk= 177, nxpk= 25, iat= 392, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 PHE HE 17 LEU HG 4.50 (# 178:25 Unique 4.38, 6.04 A)
&rst
ixpk= 178, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 390, 394,
&end
#
# 26 PHE HD 17 LEU HG 7.00 (# 179:25 Unique 6.51, 7.89 A)
&rst
ixpk= 179, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 388, 396,
&end
#
# 77 ASN HN 75 VAL HA 4.50 (# 180:25 Unique 3.14, 3.32 A)
&rst
ixpk= 180, nxpk= 25, iat=1159,1131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 VAL HN 75 VAL HA 4.50 (# 181:25 Unique 2.89, 2.95 A)
&rst
ixpk= 181, nxpk= 25, iat=1129,1131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:182 0 AMB 25-1:182 3.50 (# 182:25 Double Ambig)
&rst
ixpk= 182, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 936, 662,
igr2= 938, 612,
&end
#
# 0 AMB 25-2:183 0 AMB 25-1:183 4.50 (# 183:25 Double Ambig)
&rst
ixpk= 183, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 983, 648,
igr2= 938, 612,
&end
#
# 40 LEU HN 40 LEU HA 3.50 (# 184:25 Unique 2.79, 2.83 A)
&rst
ixpk= 184, nxpk= 25, iat= 610, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 LEU HN 104 LEU MDY 4.50 (# 185:25 Unique 3.65, 4.50 A)
&rst
ixpk= 185, nxpk= 25, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 58 ASP HN 62 LEU HG 5.50 (# 186:25 Unique 4.99, 5.49 A)
&rst
ixpk= 186, nxpk= 25, iat= 889, 943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:187 62 LEU HG 4.50 (# 187:25 Single Ambig)
&rst
ixpk= 187, nxpk= 25, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 936, 955,
&end
#
# 26 PHE HE 62 LEU HG 5.50 (# 188:25 Unique 3.99, 6.57 A)
&rst
ixpk= 188, nxpk= 25, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 390, 394,
&end
#
# 14 ALA HN 62 LEU HG 5.50 (# 189:25 Unique 5.39, 5.49 A)
&rst
ixpk= 189, nxpk= 25, iat= 210, 943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HN 100 LEU MDY 5.50 (# 190:25 Unique 3.71, 5.91 A)
&rst
ixpk= 190, nxpk= 25, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1516,1517,1518,1520,1521,1522,
&end
#
# 42 THR HN 41 LEU MDY 5.50 (# 191:25 Unique 4.83, 5.71 A)
&rst
ixpk= 191, nxpk= 25, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 41 LEU HN 41 LEU MDY 4.50 (# 192:25 Unique 2.50, 4.28 A)
&rst
ixpk= 192, nxpk= 25, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:193 41 LEU MDY 4.50 (# 193:25 Single Ambig)
&rst
ixpk= 193, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 731, 740, 733, 738,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 54 ASP HN 53 LEU HA 5.50 (# 194:25 Unique 3.41, 3.54 A)
&rst
ixpk= 194, nxpk= 25, iat= 832, 815, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 LEU HN 53 LEU HA 5.50 (# 195:25 Unique 2.80, 3.09 A)
&rst
ixpk= 195, nxpk= 25, iat= 859, 815, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 ALA HN 11 LEU HA 4.50 (# 196:25 Unique 3.15, 3.27 A)
&rst
ixpk= 196, nxpk= 25, iat= 210, 149, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 LEU HN 11 LEU HA 3.50 (# 197:25 Unique 2.84, 2.85 A)
&rst
ixpk= 197, nxpk= 25, iat= 147, 149, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 LYS HN 38 LYS HG- 5.50 (# 198:25 Unique 2.20, 2.92 A)
&rst
ixpk= 198, nxpk= 25, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 578, 579,
&end
#
# 38 LYS HN 38 LYS HG+ 5.50 (# 199:25 Unique 2.20, 2.92 A)
&rst
ixpk= 199, nxpk= 25, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 578, 579,
&end
#
# 53 LEU HN 53 LEU MDY 4.50 (# 200:25 Unique 2.19, 4.07 A)
&rst
ixpk= 200, nxpk= 25, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 25-2:201 53 LEU MDY 4.50 (# 201:25 Single Ambig)
&rst
ixpk= 201, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 955, 798,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 26 PHE HD 53 LEU MDY 4.50 (# 202:25 Unique 2.16, 5.45 A)
&rst
ixpk= 202, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 388, 396,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 27 SER HN 53 LEU MDY 5.50 (# 203:25 Unique 2.38, 4.69 A)
&rst
ixpk= 203, nxpk= 25, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 58 ASP HN 56 LEU MDY 5.50 (# 205:25 Unique 1.87, 4.30 A)
&rst
ixpk= 205, nxpk= 25, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 868, 869, 870, 872, 873, 874,
&end
#
# 59 GLY HN 56 LEU MDY 5.50 (# 206:25 Unique 3.14, 5.30 A)
&rst
ixpk= 206, nxpk= 25, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 868, 869, 870, 872, 873, 874,
&end
#
# 55 GLU HN 56 LEU MDY 5.50 (# 207:25 Unique 4.86, 7.00 A)
&rst
ixpk= 207, nxpk= 25, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 868, 869, 870, 872, 873, 874,
&end
#
# 56 LEU HN 56 LEU MDY 4.50 (# 208:25 Unique 3.44, 5.16 A)
&rst
ixpk= 208, nxpk= 25, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 868, 869, 870, 872, 873, 874,
&end
#
# 0 AMB 25-2:209 56 LEU MDY 5.50 (# 209:25 Single Ambig)
&rst
ixpk= 209, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 936, 798, 955,
igr2= 868, 869, 870, 872, 873, 874,
&end
#
# 101 LEU HN 100 LEU MDY 5.50 (# 210:25 Unique 4.28, 5.54 A)
&rst
ixpk= 210, nxpk= 25, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1516,1517,1518,1520,1521,1522,
&end
#
# 0 AMB 25-2:211 100 LEU MDY 4.50 (# 211:25 Single Ambig)
&rst
ixpk= 211, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1420,1398,
igr2=1516,1517,1518,1520,1521,1522,
&end
#
# 100 LEU HN 100 LEU MDY 5.50 (# 212:25 Unique 4.57, 5.20 A)
&rst
ixpk= 212, nxpk= 25, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1516,1517,1518,1520,1521,1522,
&end
#
# 53 LEU HN 53 LEU HA 4.50 (# 213:25 Unique 2.73, 2.77 A)
&rst
ixpk= 213, nxpk= 25, iat= 813, 815, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 LEU HN 17 LEU HA 4.50 (# 214:25 Unique 2.82, 2.83 A)
&rst
ixpk= 214, nxpk= 25, iat= 257, 259, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ALA HN 17 LEU HA 5.50 (# 215:25 Unique 3.58, 3.59 A)
&rst
ixpk= 215, nxpk= 25, iat= 276, 259, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:216 0 AMB 25-1:216 5.50 (# 216:25 Double Ambig)
&rst
ixpk= 216, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 967, 968,1047,
igr2= 822, 823, 824, 826, 827, 828, 156, 157, 158, 160,
161, 162,
&end
#
# 106 ASP HN 103 LEU HA 4.50 (# 217:25 Unique 3.31, 3.43 A)
&rst
ixpk= 217, nxpk= 25, iat=1614,1561, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 LEU HN 103 LEU HA 3.50 (# 218:25 Unique 2.84, 2.86 A)
&rst
ixpk= 218, nxpk= 25, iat=1559,1561, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 LEU HN 104 LEU HA 4.50 (# 219:25 Unique 2.86, 2.87 A)
&rst
ixpk= 219, nxpk= 25, iat=1578,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 ALA HN 104 LEU HA 5.50 (# 220:25 Unique 3.22, 3.37 A)
&rst
ixpk= 220, nxpk= 25, iat=1626,1580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 GLN HN 104 LEU HA 5.50 (# 221:25 Unique 3.57, 3.60 A)
&rst
ixpk= 221, nxpk= 25, iat=1597,1580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:222 41 LEU HA 3.50 (# 222:25 Single Ambig)
&rst
ixpk= 222, nxpk= 25, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 629, 702,
&end
#
# 44 VAL HN 41 LEU HA 5.50 (# 223:25 Unique 3.49, 3.58 A)
&rst
ixpk= 223, nxpk= 25, iat= 679, 631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 LYS HN 94 LYS QG 3.50 (# 224:25 Unique 2.25, 2.96 A)
&rst
ixpk= 224, nxpk= 25, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1405,1406,
&end
#
# 50 VAL HN 49 LYS HG+ 5.50 (# 225:25 Unique 2.15, 2.72 A)
&rst
ixpk= 225, nxpk= 25, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 751, 752,
&end
#
# 103 LEU HN 0 AMB 25-1:226 4.50 (# 226:25 Single Ambig)
&rst
ixpk= 226, nxpk= 25, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1568,1569,1570,1572,1573,1574,1766,1767,1768,1770,
1771,1772,
&end
#
# 0 AMB 25-2:227 0 AMB 25-1:227 4.50 (# 227:25 Double Ambig)
&rst
ixpk= 227, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1578,1032, 901, 972, 411,
igr2=1568,1569,1570,1572,1573,1574, 156, 157, 158, 160,
161, 162, 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 25-2:228 0 AMB 25-1:228 5.50 (# 228:25 Double Ambig)
&rst
ixpk= 228, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1058, 859,
igr2= 156, 157, 158, 160, 161, 162, 822, 823, 824, 826,
827, 828,
&end
#
# 0 AMB 25-2:229 0 AMB 25-1:229 4.50 (# 229:25 Double Ambig)
&rst
ixpk= 229, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1039,1597,
igr2= 156, 157, 158, 160, 161, 162,1766,1767,1768,1770,
1771,1772,
&end
#
# 0 AMB 25-2:230 0 AMB 25-1:230 4.50 (# 230:25 Double Ambig)
&rst
ixpk= 230, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 147, 983,
igr2= 156, 157, 158, 160, 161, 162, 822, 823, 824, 826,
827, 828,
&end
#
# 105 GLN HE2+ 117 LEU MDX 4.50 (# 231:25 Unique 1.93, 6.83 A)
&rst
ixpk= 231, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1609,1610,
igr2=1766,1767,1768,1770,1771,1772,
&end
#
# 0 AMB 25-2:232 0 AMB 25-1:232 4.50 (# 232:25 Double Ambig)
&rst
ixpk= 232, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1035,1711,1712,
igr2= 156, 157, 158, 160, 161, 162,1766,1767,1768,1770,
1771,1772,
&end
#
# 8 ASP HN 8 ASP HA 3.50 (# 233:25 Unique 2.84, 2.85 A)
&rst
ixpk= 233, nxpk= 25, iat= 115, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 LEU HN 8 ASP HA 4.50 (# 234:25 Unique 3.11, 3.26 A)
&rst
ixpk= 234, nxpk= 25, iat= 147, 117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:235 8 ASP HA 3.50 (# 235:25 Single Ambig)
&rst
ixpk= 235, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 127, 137,
&end
#
# 12 LYS HN 8 ASP HA 5.50 (# 236:25 Unique 3.88, 4.02 A)
&rst
ixpk= 236, nxpk= 25, iat= 166, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ASP HN 7 LEU HA 4.50 (# 237:25 Unique 3.59, 3.61 A)
&rst
ixpk= 237, nxpk= 25, iat= 115, 98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 LEU HN 7 LEU HA 3.50 (# 238:25 Unique 2.82, 2.84 A)
&rst
ixpk= 238, nxpk= 25, iat= 96, 98, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:239 7 LEU HA 3.50 (# 239:25 Single Ambig)
&rst
ixpk= 239, nxpk= 25, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 137, 127,
&end
#
# 42 THR HN 41 LEU HA 5.50 (# 240:25 Unique 3.57, 3.59 A)
&rst
ixpk= 240, nxpk= 25, iat= 648, 631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 VAL HN 49 LYS HG- 4.50 (# 241:25 Unique 2.15, 2.72 A)
&rst
ixpk= 241, nxpk= 25, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 751, 752,
&end
#
# 96 GLN HN 40 LEU HG 7.00 (# 242:25 Unique 6.43, 6.89 A)
&rst
ixpk= 242, nxpk= 25, iat=1437, 617, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-2:243 40 LEU HG 5.50 (# 243:25 Single Ambig)
&rst
ixpk= 243, nxpk= 25, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1420, 648,1367,1383,
&end
#
# 41 LEU HN 40 LEU HG 5.50 (# 244:25 Unique 3.93, 4.01 A)
&rst
ixpk= 244, nxpk= 25, iat= 629, 617, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:245 40 LEU HG 4.50 (# 245:25 Single Ambig)
&rst
ixpk= 245, nxpk= 25, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 679, 610,
&end
#
# 95 HIS HD2 40 LEU HG 4.50 (# 246:25 Unique 3.14, 4.47 A)
&rst
ixpk= 246, nxpk= 25, iat=1433, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 VAL HN 89 ASP HA 3.50 (# 247:25 Unique 3.53, 3.55 A)
&rst
ixpk= 247, nxpk= 25, iat=1367,1327, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:248 0 AMB 25-1:248 4.50 (# 248:25 Double Ambig)
&rst
ixpk= 248, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1507,1337,
igr2=1509,1327,
&end
#
# 85 ILE HN 84 GLN HA 3.50 (# 249:25 Unique 2.22, 2.25 A)
&rst
ixpk= 249, nxpk= 25, iat=1281,1266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:250 84 GLN HA 4.50 (# 250:25 Single Ambig)
&rst
ixpk= 250, nxpk= 25, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1264,1209,
&end
#
# 86 GLY HN 84 GLN HA 4.50 (# 251:25 Unique 4.05, 4.21 A)
&rst
ixpk= 251, nxpk= 25, iat=1300,1266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 PHE HD 84 GLN HA 5.50 (# 252:25 Unique 3.16, 3.61 A)
&rst
ixpk= 252, nxpk= 25, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1197,1205,
&end
#
# 0 AMB 25-2:253 0 AMB 25-1:253 5.50 (# 253:25 Double Ambig)
&rst
ixpk= 253, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 166,1609,1610,
igr2= 173, 174,1687,1688,
&end
#
# 13 LYS HN 0 AMB 25-1:254 5.50 (# 254:25 Single Ambig)
&rst
ixpk= 254, nxpk= 25, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 173, 174, 195, 196,
&end
#
# 12 LYS HN 12 LYS HG- 4.50 (# 255:25 Unique 2.38, 4.14 A)
&rst
ixpk= 255, nxpk= 25, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 173, 174,
&end
#
# 92 VAL HN 37 VAL MGY 5.50 (# 256:25 Unique 4.63, 6.54 A)
&rst
ixpk= 256, nxpk= 25, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 0 AMB 25-2:257 37 VAL MGY 4.50 (# 257:25 Single Ambig)
&rst
ixpk= 257, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 571, 629,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 37 VAL HN 37 VAL MGY 3.50 (# 258:25 Unique 2.24, 3.86 A)
&rst
ixpk= 258, nxpk= 25, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 117 LEU HN 106 ASP HA 5.50 (# 259:25 Unique 2.23, 4.62 A)
&rst
ixpk= 259, nxpk= 25, iat=1757,1616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ASP HN 106 ASP HA 3.50 (# 260:25 Unique 2.82, 2.85 A)
&rst
ixpk= 260, nxpk= 25, iat=1614,1616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 CYS HN 76 PRO QG 5.50 (# 262:25 Unique 2.41, 3.37 A)
&rst
ixpk= 262, nxpk= 25, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1149,1150,
&end
#
# 83 LYS HN 83 LYS QG 4.50 (# 263:25 Unique 2.51, 4.14 A)
&rst
ixpk= 263, nxpk= 25, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1249,1250,
&end
#
# 0 AMB 25-2:264 83 LYS QG 4.50 (# 264:25 Single Ambig)
&rst
ixpk= 264, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1264,1209,
igr2=1249,1250,
&end
#
# 0 AMB 25-2:265 0 AMB 25-1:265 5.50 (# 265:25 Double Ambig)
&rst
ixpk= 265, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 64,1702,
igr2= 49, 50,1687,1688,
&end
#
# 7 LEU HN 4 LYS HG+ 5.50 (# 266:25 Unique 5.25, 5.86 A)
&rst
ixpk= 266, nxpk= 25, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 49, 50,
&end
#
# 7 LEU HN 4 LYS HG- 5.50 (# 267:25 Unique 5.25, 5.86 A)
&rst
ixpk= 267, nxpk= 25, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 49, 50,
&end
#
# 88 CYS HN 37 VAL MGY 5.50 (# 268:25 Unique 3.80, 5.54 A)
&rst
ixpk= 268, nxpk= 25, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 35 ASN HN 35 ASN HA 4.50 (# 269:25 Unique 2.82, 2.84 A)
&rst
ixpk= 269, nxpk= 25, iat= 517, 519, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 VAL HN 35 ASN HA 5.50 (# 270:25 Unique 4.51, 4.63 A)
&rst
ixpk= 270, nxpk= 25, iat= 555, 519, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HN 104 LEU MDX 4.50 (# 271:25 Unique 3.65, 4.50 A)
&rst
ixpk= 271, nxpk= 25, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 0 AMB 25-2:272 40 LEU MDX 5.50 (# 272:25 Single Ambig)
&rst
ixpk= 272, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 674, 675,1449,1450,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 66 LEU HN 66 LEU MDY 4.50 (# 273:25 Unique 2.63, 4.21 A)
&rst
ixpk= 273, nxpk= 25, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 63 GLN HN 66 LEU MDY 5.50 (# 274:25 Unique 4.61, 7.16 A)
&rst
ixpk= 274, nxpk= 25, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 25-2:275 66 LEU MDY 4.50 (# 275:25 Single Ambig)
&rst
ixpk= 275, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1012,1063,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 77 ASN HD2+ 66 LEU MDY 5.50 (# 276:25 Unique 2.18, 5.24 A)
&rst
ixpk= 276, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1168,1169,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 26 PHE HD 66 LEU MDY 4.50 (# 277:25 Unique 2.81, 4.87 A)
&rst
ixpk= 277, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 388, 396,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 26 PHE HZ 66 LEU MDY 5.50 (# 278:25 Unique 3.67, 5.21 A)
&rst
ixpk= 278, nxpk= 25, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 26 PHE HE 66 LEU MDY 4.50 (# 279:25 Unique 3.06, 5.08 A)
&rst
ixpk= 279, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 390, 394,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 69 TRP HE3 66 LEU MDY 5.50 (# 280:25 Unique 2.32, 3.86 A)
&rst
ixpk= 280, nxpk= 25, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 55 GLU HN 55 GLU HA 3.50 (# 281:25 Unique 2.92, 2.97 A)
&rst
ixpk= 281, nxpk= 25, iat= 844, 846, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 LEU HN 55 GLU HA 4.50 (# 282:25 Unique 3.23, 3.42 A)
&rst
ixpk= 282, nxpk= 25, iat= 859, 846, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:283 35 ASN HA 4.50 (# 283:25 Single Ambig)
&rst
ixpk= 283, nxpk= 25, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 571, 593,
&end
#
# 53 LEU HN 53 LEU MDX 4.50 (# 284:25 Unique 2.19, 4.07 A)
&rst
ixpk= 284, nxpk= 25, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 54 ASP HN 53 LEU MDX 5.50 (# 285:25 Unique 4.78, 5.88 A)
&rst
ixpk= 285, nxpk= 25, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 27 SER HN 53 LEU MDX 5.50 (# 286:25 Unique 2.38, 4.69 A)
&rst
ixpk= 286, nxpk= 25, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 25-2:287 53 LEU MDX 3.50 (# 287:25 Single Ambig)
&rst
ixpk= 287, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 955, 798,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 26 PHE HD 53 LEU MDX 3.50 (# 288:25 Unique 2.16, 5.45 A)
&rst
ixpk= 288, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 388, 396,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 26 PHE HE 53 LEU MDX 4.50 (# 289:25 Unique 3.54, 6.91 A)
&rst
ixpk= 289, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 390, 394,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 56 LEU HN 53 LEU MDX 5.50 (# 290:25 Unique 4.51, 6.66 A)
&rst
ixpk= 290, nxpk= 25, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 104 LEU HN 101 LEU MDY 5.50 (# 291:25 Unique 4.23, 6.38 A)
&rst
ixpk= 291, nxpk= 25, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 101 LEU HN 101 LEU MDY 5.50 (# 292:25 Unique 2.62, 4.97 A)
&rst
ixpk= 292, nxpk= 25, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 105 GLN HN 101 LEU MDY 5.50 (# 293:25 Unique 3.37, 5.82 A)
&rst
ixpk= 293, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 0 AMB 25-2:295 101 LEU MDY 4.50 (# 295:25 Single Ambig)
&rst
ixpk= 295, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1487,1488,1430,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 105 GLN HE2- 101 LEU MDY 5.50 (# 296:25 Unique 1.86, 5.65 A)
&rst
ixpk= 296, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1609,1610,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 14 ALA HN 11 LEU MDY 5.50 (# 297:25 Unique 4.76, 6.75 A)
&rst
ixpk= 297, nxpk= 25, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 8 ASP HN 11 LEU MDY 5.50 (# 298:25 Unique 5.98, 7.39 A)
&rst
ixpk= 298, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 15 LYS HN 11 LEU MDY 5.50 (# 299:25 Unique 3.56, 5.85 A)
&rst
ixpk= 299, nxpk= 25, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 12 LYS HN 11 LEU MDY 5.50 (# 300:25 Unique 2.90, 4.77 A)
&rst
ixpk= 300, nxpk= 25, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 69 TRP HN 11 LEU MDY 4.50 (# 301:25 Unique 4.06, 6.55 A)
&rst
ixpk= 301, nxpk= 25, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 11 LEU HN 0 AMB 25-1:302 3.50 (# 302:25 Single Ambig)
&rst
ixpk= 302, nxpk= 25, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 105, 106, 107, 109, 110, 111, 156, 157, 158, 160,
161, 162,
&end
#
# 69 TRP HD1 11 LEU MDY 5.50 (# 303:25 Unique 2.93, 5.27 A)
&rst
ixpk= 303, nxpk= 25, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 69 TRP HE3 11 LEU MDY 5.50 (# 304:25 Unique 3.46, 5.97 A)
&rst
ixpk= 304, nxpk= 25, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 68 HIS HD2 11 LEU MDY 4.50 (# 305:25 Unique 2.15, 4.58 A)
&rst
ixpk= 305, nxpk= 25, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 69 TRP HZ3 11 LEU MDY 5.50 (# 306:25 Unique 4.77, 7.20 A)
&rst
ixpk= 306, nxpk= 25, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 68 HIS HN 7 LEU MDX 5.50 (# 307:25 Unique 3.87, 5.61 A)
&rst
ixpk= 307, nxpk= 25, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 105 GLN HN 104 LEU MDX 5.50 (# 308:25 Unique 4.85, 5.74 A)
&rst
ixpk= 308, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 107 ALA HN 104 LEU MDX 5.50 (# 309:25 Unique 5.15, 7.07 A)
&rst
ixpk= 309, nxpk= 25, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 103 LEU HN 104 LEU MDX 5.50 (# 310:25 Unique 5.52, 6.82 A)
&rst
ixpk= 310, nxpk= 25, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 0 AMB 25-2:311 40 LEU MDX 4.50 (# 311:25 Single Ambig)
&rst
ixpk= 311, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1367,1420,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 41 LEU HN 40 LEU MDX 5.50 (# 312:25 Unique 3.19, 5.37 A)
&rst
ixpk= 312, nxpk= 25, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 25-2:313 40 LEU MDX 4.50 (# 313:25 Single Ambig)
&rst
ixpk= 313, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 610, 679,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 95 HIS HE1 40 LEU MDX 5.50 (# 314:25 Unique 4.85, 6.56 A)
&rst
ixpk= 314, nxpk= 25, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 95 HIS HD2 40 LEU MDX 4.50 (# 315:25 Unique 2.38, 4.23 A)
&rst
ixpk= 315, nxpk= 25, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 25-2:316 40 LEU MDX 5.50 (# 316:25 Single Ambig)
&rst
ixpk= 316, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 674, 675,1449,1450,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 97 ARG HN 97 ARG HA 3.50 (# 317:25 Unique 2.88, 2.91 A)
&rst
ixpk= 317, nxpk= 25, iat=1454,1456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 ASN HN 112 LYS HA 3.50 (# 318:25 Unique 2.16, 3.34 A)
&rst
ixpk= 318, nxpk= 25, iat=1702,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 LYS HN 112 LYS HA 3.50 (# 319:25 Unique 2.79, 2.89 A)
&rst
ixpk= 319, nxpk= 25, iat=1680,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 ALA HN 14 ALA HA 3.50 (# 320:25 Unique 2.80, 2.83 A)
&rst
ixpk= 320, nxpk= 25, iat= 210, 212, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 ALA HN 14 ALA HA 5.50 (# 321:25 Unique 3.75, 3.81 A)
&rst
ixpk= 321, nxpk= 25, iat= 276, 212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:322 14 ALA HA 5.50 (# 322:25 Single Ambig)
&rst
ixpk= 322, nxpk= 25, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 220, 242,
&end
#
# 26 PHE HZ 14 ALA HA 5.50 (# 323:25 Unique 3.00, 3.20 A)
&rst
ixpk= 323, nxpk= 25, iat= 392, 212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:324 53 LEU MDX 5.50 (# 324:25 Single Ambig)
&rst
ixpk= 324, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 901, 972, 411,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 101 LEU HN 101 LEU MDX 5.50 (# 327:25 Unique 2.62, 4.97 A)
&rst
ixpk= 327, nxpk= 25, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 100 LEU HN 101 LEU MDX 5.50 (# 328:25 Unique 4.41, 7.41 A)
&rst
ixpk= 328, nxpk= 25, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 0 AMB 25-2:329 101 LEU MDX 5.50 (# 329:25 Single Ambig)
&rst
ixpk= 329, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1487,1488,1430,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 105 GLN HE2+ 101 LEU MDX 4.50 (# 330:25 Unique 1.86, 5.65 A)
&rst
ixpk= 330, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1609,1610,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 105 GLN HE2- 101 LEU MDX 4.50 (# 331:25 Unique 1.86, 5.65 A)
&rst
ixpk= 331, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1609,1610,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 14 ALA HN 62 LEU MDY 3.50 (# 332:25 Unique 3.02, 4.27 A)
&rst
ixpk= 332, nxpk= 25, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 0 AMB 25-2:333 62 LEU MDY 5.50 (# 333:25 Single Ambig)
&rst
ixpk= 333, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 983, 147,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 0 AMB 25-2:334 62 LEU MDY 5.50 (# 334:25 Single Ambig)
&rst
ixpk= 334, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 220, 242,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 12 LYS HN 62 LEU MDY 5.50 (# 335:25 Unique 6.18, 7.50 A)
&rst
ixpk= 335, nxpk= 25, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 66 LEU HN 62 LEU MDY 5.50 (# 337:25 Unique 3.44, 5.73 A)
&rst
ixpk= 337, nxpk= 25, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 62 LEU HN 62 LEU MDY 4.50 (# 338:25 Unique 2.40, 4.70 A)
&rst
ixpk= 338, nxpk= 25, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 0 AMB 25-2:339 62 LEU MDY 5.50 (# 339:25 Single Ambig)
&rst
ixpk= 339, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 901, 137, 972,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 13 LYS HN 62 LEU MDY 4.50 (# 340:25 Unique 4.56, 5.93 A)
&rst
ixpk= 340, nxpk= 25, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 26 PHE HD 62 LEU MDY 5.50 (# 341:25 Unique 2.97, 7.16 A)
&rst
ixpk= 341, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 388, 396,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 26 PHE HZ 62 LEU MDY 5.50 (# 342:25 Unique 4.18, 6.50 A)
&rst
ixpk= 342, nxpk= 25, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 26 PHE HE 62 LEU MDY 4.50 (# 343:25 Unique 2.48, 6.56 A)
&rst
ixpk= 343, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 390, 394,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 69 TRP HZ3 62 LEU MDY 5.50 (# 344:25 Unique 5.40, 7.18 A)
&rst
ixpk= 344, nxpk= 25, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 0 AMB 25-2:345 11 LEU MDY 5.50 (# 345:25 Single Ambig)
&rst
ixpk= 345, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 188,1052,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 14 ALA HN 11 LEU MDY 5.50 (# 346:25 Unique 4.76, 6.75 A)
&rst
ixpk= 346, nxpk= 25, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 8 ASP HN 7 LEU MDX 5.50 (# 347:25 Unique 3.28, 5.31 A)
&rst
ixpk= 347, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 99 GLU HN 99 GLU HA 4.50 (# 348:25 Unique 2.96, 2.98 A)
&rst
ixpk= 348, nxpk= 25, iat=1492,1494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 GLN HN 116 GLN HA 4.50 (# 349:25 Unique 2.18, 2.65 A)
&rst
ixpk= 349, nxpk= 25, iat=1740,1742, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 GLN HN 101 LEU MDX 5.50 (# 350:25 Unique 3.37, 5.82 A)
&rst
ixpk= 350, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 69 TRP HE3 62 LEU MDY 5.50 (# 351:25 Unique 5.41, 7.27 A)
&rst
ixpk= 351, nxpk= 25, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 117 LEU HN 116 GLN HA 3.50 (# 352:25 Unique 2.15, 2.65 A)
&rst
ixpk= 352, nxpk= 25, iat=1757,1742, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 LEU HN 7 LEU MDY 4.50 (# 353:25 Unique 4.53, 5.14 A)
&rst
ixpk= 353, nxpk= 25, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 0 AMB 25-2:354 7 LEU MDY 5.50 (# 354:25 Single Ambig)
&rst
ixpk= 354, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1032, 137, 972,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 8 ASP HN 7 LEU MDY 5.50 (# 355:25 Unique 3.28, 5.31 A)
&rst
ixpk= 355, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 0 AMB 25-2:356 65 ALA HA 5.50 (# 356:25 Single Ambig)
&rst
ixpk= 356, nxpk= 25, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 993,1039,
&end
#
# 0 AMB 25-2:357 0 AMB 25-1:357 3.50 (# 357:25 Double Ambig)
&rst
ixpk= 357, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 983, 147,1012,
igr2= 985, 139,
&end
#
# 68 HIS HN 65 ALA HA 4.50 (# 358:25 Unique 3.36, 3.49 A)
&rst
ixpk= 358, nxpk= 25, iat=1022, 985, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ALA HN 18 ALA HA 4.50 (# 359:25 Unique 2.78, 2.81 A)
&rst
ixpk= 359, nxpk= 25, iat= 276, 278, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 PHE HZ 18 ALA HA 4.50 (# 360:25 Unique 3.08, 3.27 A)
&rst
ixpk= 360, nxpk= 25, iat= 392, 278, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 PHE HE 18 ALA HA 4.50 (# 361:25 Unique 2.96, 4.32 A)
&rst
ixpk= 361, nxpk= 25, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 390, 394,
&end
#
# 68 HIS HD2 7 LEU MDY 5.50 (# 363:25 Unique 3.40, 5.07 A)
&rst
ixpk= 363, nxpk= 25, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 11 LEU HN 9 ALA HA 5.50 (# 364:25 Unique 4.38, 4.45 A)
&rst
ixpk= 364, nxpk= 25, iat= 147, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:365 9 ALA HA 3.50 (# 365:25 Single Ambig)
&rst
ixpk= 365, nxpk= 25, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 127, 137,
&end
#
# 12 LYS HN 9 ALA HA 4.50 (# 366:25 Unique 3.21, 3.31 A)
&rst
ixpk= 366, nxpk= 25, iat= 166, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:367 67 ALA HA 3.50 (# 367:25 Single Ambig)
&rst
ixpk= 367, nxpk= 25, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1012,1063,
&end
#
# 68 HIS HN 67 ALA HA 5.50 (# 368:25 Unique 3.56, 3.57 A)
&rst
ixpk= 368, nxpk= 25, iat=1022,1014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:369 67 ALA HA 4.50 (# 369:25 Single Ambig)
&rst
ixpk= 369, nxpk= 25, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1084,1077,
&end
#
# 0 AMB 25-2:370 50 VAL MGX 4.50 (# 370:25 Single Ambig)
&rst
ixpk= 370, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 364, 380,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 50 VAL HN 50 VAL MGX 3.50 (# 371:25 Unique 2.49, 4.13 A)
&rst
ixpk= 371, nxpk= 25, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 0 AMB 25-2:372 50 VAL MGX 4.50 (# 372:25 Single Ambig)
&rst
ixpk= 372, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 782, 798,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 38 LYS HN 50 VAL MGX 5.50 (# 373:25 Unique 5.33, 6.84 A)
&rst
ixpk= 373, nxpk= 25, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 0 AMB 25-2:375 50 VAL MGX 2.50 (# 375:25 Single Ambig)
&rst
ixpk= 375, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 733, 738, 731, 740,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 96 GLN HN 92 VAL MGY 5.50 (# 376:25 Unique 4.49, 6.01 A)
&rst
ixpk= 376, nxpk= 25, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 0 AMB 25-2:377 92 VAL MGY 2.50 (# 377:25 Single Ambig)
&rst
ixpk= 377, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1367,1383,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 91 VAL HN 92 VAL MGY 4.50 (# 378:25 Unique 4.45, 6.28 A)
&rst
ixpk= 378, nxpk= 25, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 85 ILE HN 78 VAL MGX 5.50 (# 379:25 Unique 4.58, 6.06 A)
&rst
ixpk= 379, nxpk= 25, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 38 LYS HN 78 VAL MGX 5.50 (# 380:25 Unique 6.68, 7.73 A)
&rst
ixpk= 380, nxpk= 25, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 86 GLY HN 91 VAL MGY 5.50 (# 382:25 Unique 4.44, 6.47 A)
&rst
ixpk= 382, nxpk= 25, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 78 VAL HN 91 VAL MGY 5.50 (# 383:25 Unique 5.03, 6.44 A)
&rst
ixpk= 383, nxpk= 25, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 25-2:384 0 AMB 25-1:384 3.50 (# 384:25 Double Ambig)
&rst
ixpk= 384, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1367,1420,
igr2=1357,1358,1359,1361,1362,1363,1516,1517,1518,1520,
1521,1522,
&end
#
# 91 VAL HN 91 VAL MGY 3.50 (# 385:25 Unique 2.08, 3.15 A)
&rst
ixpk= 385, nxpk= 25, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 25-2:386 66 LEU MDX 4.50 (# 386:25 Single Ambig)
&rst
ixpk= 386, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1012,1063,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 26 PHE HD 66 LEU MDX 4.50 (# 387:25 Unique 2.81, 4.87 A)
&rst
ixpk= 387, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 388, 396,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 25-2:388 66 LEU MDX 4.50 (# 388:25 Single Ambig)
&rst
ixpk= 388, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1276,1277, 392,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 79 PHE HE 66 LEU MDX 3.50 (# 389:25 Unique 2.27, 5.42 A)
&rst
ixpk= 389, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1199,1203,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 69 TRP HZ3 66 LEU MDX 4.50 (# 390:25 Unique 3.02, 4.29 A)
&rst
ixpk= 390, nxpk= 25, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 66 LEU HN 66 LEU MDX 3.50 (# 391:25 Unique 2.63, 4.21 A)
&rst
ixpk= 391, nxpk= 25, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 77 ASN HD2+ 66 LEU MDX 4.50 (# 392:25 Unique 2.18, 5.24 A)
&rst
ixpk= 392, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1168,1169,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 69 TRP HE3 66 LEU MDX 3.50 (# 393:25 Unique 2.32, 3.86 A)
&rst
ixpk= 393, nxpk= 25, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 13 LYS HN 9 ALA HA 5.50 (# 394:25 Unique 3.96, 4.07 A)
&rst
ixpk= 394, nxpk= 25, iat= 188, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 TYR HD 23 VAL MGX 5.50 (# 395:25 Unique 4.14, 6.15 A)
&rst
ixpk= 395, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 731, 740,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 79 PHE HN 78 VAL MGX 4.50 (# 396:25 Unique 2.53, 4.12 A)
&rst
ixpk= 396, nxpk= 25, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 25-2:397 0 AMB 25-1:397 2.50 (# 397:25 Double Ambig)
&rst
ixpk= 397, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1173, 348,
igr2=1179,1180,1181,1183,1184,1185, 338, 339, 340, 342,
343, 344,
&end
#
# 0 AMB 25-2:398 0 AMB 25-1:398 4.50 (# 398:25 Double Ambig)
&rst
ixpk= 398, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1159, 744,1209,
igr2=1179,1180,1181,1183,1184,1185, 338, 339, 340, 342,
343, 344,
&end
#
# 0 AMB 25-2:399 78 VAL MGX 5.50 (# 399:25 Single Ambig)
&rst
ixpk= 399, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1307,1337,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 91 VAL HN 78 VAL MGX 4.50 (# 400:25 Unique 4.32, 6.00 A)
&rst
ixpk= 400, nxpk= 25, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 53 LEU HN 0 AMB 25-1:402 5.50 (# 402:25 Single Ambig)
&rst
ixpk= 402, nxpk= 25, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 868, 869, 870, 872, 873, 874, 772, 773, 774, 776,
777, 778,
&end
#
# 57 SER HN 56 LEU MDX 5.50 (# 403:25 Unique 2.17, 4.29 A)
&rst
ixpk= 403, nxpk= 25, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 868, 869, 870, 872, 873, 874,
&end
#
# 0 AMB 25-2:404 0 AMB 25-1:404 4.50 (# 404:25 Double Ambig)
&rst
ixpk= 404, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1626, 844,
igr2=1568,1569,1570,1572,1573,1574, 868, 869, 870, 872,
873, 874,
&end
#
# 56 LEU HN 56 LEU MDX 4.50 (# 405:25 Unique 3.44, 5.16 A)
&rst
ixpk= 405, nxpk= 25, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 868, 869, 870, 872, 873, 874,
&end
#
# 0 AMB 25-2:406 0 AMB 25-1:406 5.50 (# 406:25 Double Ambig)
&rst
ixpk= 406, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1614, 571,
igr2=1568,1569,1570,1572,1573,1574, 772, 773, 774, 776,
777, 778,
&end
#
# 0 AMB 25-2:407 0 AMB 25-1:407 4.50 (# 407:25 Double Ambig)
&rst
ixpk= 407, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 901,1578,
igr2= 868, 869, 870, 872, 873, 874,1568,1569,1570,1572,
1573,1574,
&end
#
# 103 LEU HN 103 LEU MDX 4.50 (# 408:25 Unique 3.86, 5.18 A)
&rst
ixpk= 408, nxpk= 25, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1568,1569,1570,1572,1573,1574,
&end
#
# 18 ALA HN 17 LEU MDX 5.50 (# 409:25 Unique 4.81, 5.66 A)
&rst
ixpk= 409, nxpk= 25, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 266, 267, 268, 270, 271, 272,
&end
#
# 0 AMB 25-2:411 0 AMB 25-1:411 4.50 (# 411:25 Double Ambig)
&rst
ixpk= 411, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1337,1307,1507,
igr2=1357,1358,1359,1361,1362,1363,1516,1517,1518,1520,
1521,1522,
&end
#
# 95 HIS HE1 100 LEU MDX 5.50 (# 412:25 Unique 4.67, 7.53 A)
&rst
ixpk= 412, nxpk= 25, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1516,1517,1518,1520,1521,1522,
&end
#
# 14 ALA HN 10 ALA HA 5.50 (# 414:25 Unique 3.81, 3.91 A)
&rst
ixpk= 414, nxpk= 25, iat= 210, 139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ALA HN 10 ALA HA 3.50 (# 415:25 Unique 2.84, 2.85 A)
&rst
ixpk= 415, nxpk= 25, iat= 137, 139, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 LYS HN 10 ALA HA 4.50 (# 416:25 Unique 3.12, 3.33 A)
&rst
ixpk= 416, nxpk= 25, iat= 188, 139, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:417 90 THR MG2 4.50 (# 417:25 Single Ambig)
&rst
ixpk= 417, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1398,1383,1367,
igr2=1343,1344,1345,
&end
#
# 0 AMB 25-2:418 90 THR MG2 4.50 (# 418:25 Single Ambig)
&rst
ixpk= 418, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1307,1337,
igr2=1343,1344,1345,
&end
#
# 91 VAL HN 90 THR MG2 4.50 (# 419:25 Unique 3.99, 4.61 A)
&rst
ixpk= 419, nxpk= 25, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1343,1344,1345,
&end
#
# 86 GLY HN 90 THR MG2 5.50 (# 420:25 Unique 4.51, 5.47 A)
&rst
ixpk= 420, nxpk= 25, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1343,1344,1345,
&end
#
# 0 AMB 25-2:421 23 VAL MGX 5.50 (# 421:25 Single Ambig)
&rst
ixpk= 421, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1646, 702,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 23 VAL HN 23 VAL MGX 3.50 (# 422:25 Unique 3.09, 4.35 A)
&rst
ixpk= 422, nxpk= 25, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 83 LYS HN 103 LEU MDX 5.50 (# 424:25 Unique 5.72, 7.59 A)
&rst
ixpk= 424, nxpk= 25, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1568,1569,1570,1572,1573,1574,
&end
#
# 26 PHE HE 24 VAL MGY 5.50 (# 425:25 Unique 3.36, 5.56 A)
&rst
ixpk= 425, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 390, 394,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 25-2:426 50 VAL MGY 3.50 (# 426:25 Single Ambig)
&rst
ixpk= 426, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 782, 798,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 0 AMB 25-2:427 50 VAL MGY 4.50 (# 427:25 Single Ambig)
&rst
ixpk= 427, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 733, 738, 731, 740,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 26 PHE HZ 17 LEU MDX 4.50 (# 428:25 Unique 3.97, 5.37 A)
&rst
ixpk= 428, nxpk= 25, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 266, 267, 268, 270, 271, 272,
&end
#
# 26 PHE HE 17 LEU MDX 5.50 (# 429:25 Unique 2.37, 5.80 A)
&rst
ixpk= 429, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 390, 394,
igr2= 266, 267, 268, 270, 271, 272,
&end
#
# 17 LEU HN 17 LEU MDX 3.50 (# 430:25 Unique 3.49, 4.46 A)
&rst
ixpk= 430, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 266, 267, 268, 270, 271, 272,
&end
#
# 26 PHE HD 17 LEU MDX 5.50 (# 431:25 Unique 3.77, 7.12 A)
&rst
ixpk= 431, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 388, 396,
igr2= 266, 267, 268, 270, 271, 272,
&end
#
# 27 SER HN 75 VAL MGY 5.50 (# 432:25 Unique 3.86, 5.77 A)
&rst
ixpk= 432, nxpk= 25, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 53 LEU HN 75 VAL MGY 5.50 (# 433:25 Unique 4.28, 6.43 A)
&rst
ixpk= 433, nxpk= 25, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 0 AMB 25-2:434 0 AMB 25-1:434 5.50 (# 434:25 Double Ambig)
&rst
ixpk= 434, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1526,1189,
igr2=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
1362,1363,
&end
#
# 50 VAL HN 49 LYS HA 2.50 (# 435:25 Unique 2.29, 2.35 A)
&rst
ixpk= 435, nxpk= 25, iat= 766, 746, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 25-2:436 24 VAL MGY 2.50 (# 436:25 Single Ambig)
&rst
ixpk= 436, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 364, 348, 380,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 20 SER HN 24 VAL MGY 4.50 (# 437:25 Unique 2.86, 4.82 A)
&rst
ixpk= 437, nxpk= 25, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 25-2:438 24 VAL MGY 3.50 (# 438:25 Single Ambig)
&rst
ixpk= 438, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 308, 332,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 25-2:439 24 VAL MGY 5.50 (# 439:25 Single Ambig)
&rst
ixpk= 439, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 286,1197,1205,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 50 VAL HN 50 VAL MGY 3.50 (# 440:25 Unique 2.49, 4.13 A)
&rst
ixpk= 440, nxpk= 25, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 77 ASN HN 75 VAL MGY 4.50 (# 441:25 Unique 3.46, 5.75 A)
&rst
ixpk= 441, nxpk= 25, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 63 GLN HE2- 75 VAL MGY 5.50 (# 442:25 Unique 2.78, 5.57 A)
&rst
ixpk= 442, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 967, 968,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 79 PHE HN 24 VAL MGY 5.50 (# 445:25 Unique 4.85, 5.78 A)
&rst
ixpk= 445, nxpk= 25, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 92 VAL HN 91 VAL MGX 3.50 (# 446:25 Unique 2.52, 4.25 A)
&rst
ixpk= 446, nxpk= 25, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 25-2:447 37 VAL MGX 3.50 (# 447:25 Single Ambig)
&rst
ixpk= 447, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 571, 629,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 91 VAL HN 91 VAL MGX 3.50 (# 448:25 Unique 2.08, 3.15 A)
&rst
ixpk= 448, nxpk= 25, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 42 THR HN 41 LEU MDX 5.50 (# 450:25 Unique 4.83, 5.71 A)
&rst
ixpk= 450, nxpk= 25, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 41 LEU HN 41 LEU MDX 3.50 (# 451:25 Unique 2.50, 4.28 A)
&rst
ixpk= 451, nxpk= 25, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:452 41 LEU MDX 5.50 (# 452:25 Single Ambig)
&rst
ixpk= 452, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 610, 723, 679,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:453 41 LEU MDX 4.50 (# 453:25 Single Ambig)
&rst
ixpk= 453, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 731, 740, 733, 738,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 54 ASP HN 29 THR MG2 5.50 (# 454:25 Unique 3.31, 4.75 A)
&rst
ixpk= 454, nxpk= 25, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 439, 440, 441,
&end
#
# 29 THR HN 29 THR MG2 4.50 (# 455:25 Unique 2.40, 3.32 A)
&rst
ixpk= 455, nxpk= 25, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 439, 440, 441,
&end
#
# 52 GLU HN 29 THR MG2 5.50 (# 456:25 Unique 5.53, 6.27 A)
&rst
ixpk= 456, nxpk= 25, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 439, 440, 441,
&end
#
# 105 GLN HN 110 THR MG2 5.50 (# 457:25 Unique 3.78, 5.33 A)
&rst
ixpk= 457, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1662,1663,1664,
&end
#
# 110 THR HN 110 THR MG2 3.50 (# 458:25 Unique 2.49, 3.64 A)
&rst
ixpk= 458, nxpk= 25, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1662,1663,1664,
&end
#
# 105 GLN HE2+ 110 THR MG2 7.00 (# 459:25 Unique 2.45, 6.59 A)
&rst
ixpk= 459, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1609,1610,
igr2=1662,1663,1664,
&end
#
# 0 AMB 25-2:460 110 THR MG2 5.50 (# 460:25 Single Ambig)
&rst
ixpk= 460, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 712,1702,
igr2=1662,1663,1664,
&end
#
# 0 AMB 25-2:461 108 ALA HA 5.50 (# 461:25 Single Ambig)
&rst
ixpk= 461, nxpk= 25, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1609,1610,1626,
&end
#
# 0 AMB 25-2:462 42 THR MG2 5.50 (# 462:25 Single Ambig)
&rst
ixpk= 462, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 702, 629,
igr2= 654, 655, 656,
&end
#
# 43 GLN HN 42 THR MG2 4.50 (# 463:25 Unique 3.71, 4.48 A)
&rst
ixpk= 463, nxpk= 25, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 654, 655, 656,
&end
#
# 42 THR HN 42 THR MG2 4.50 (# 464:25 Unique 4.44, 4.52 A)
&rst
ixpk= 464, nxpk= 25, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 654, 655, 656,
&end
#
# 0 AMB 25-2:465 42 THR MG2 5.50 (# 465:25 Single Ambig)
&rst
ixpk= 465, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 695, 679,
igr2= 654, 655, 656,
&end
#
# 48 TYR HE 42 THR MG2 5.50 (# 466:25 Unique 3.98, 6.49 A)
&rst
ixpk= 466, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 733, 738,
igr2= 654, 655, 656,
&end
#
# 75 VAL HN 74 THR MG2 3.50 (# 467:25 Unique 2.25, 4.21 A)
&rst
ixpk= 467, nxpk= 25, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1121,1122,1123,
&end
#
# 0 AMB 25-2:468 74 THR MG2 5.50 (# 468:25 Single Ambig)
&rst
ixpk= 468, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1097, 967, 968,
igr2=1121,1122,1123,
&end
#
# 74 THR HN 74 THR MG2 4.50 (# 469:25 Unique 2.50, 3.63 A)
&rst
ixpk= 469, nxpk= 25, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1121,1122,1123,
&end
#
# 0 AMB 25-2:470 51 VAL MGY 3.50 (# 470:25 Single Ambig)
&rst
ixpk= 470, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 782, 798,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 26 PHE HD 51 VAL MGY 3.50 (# 471:25 Unique 2.52, 5.49 A)
&rst
ixpk= 471, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 388, 396,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 26 PHE HE 51 VAL MGY 3.50 (# 472:25 Unique 2.41, 5.55 A)
&rst
ixpk= 472, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 390, 394,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 79 PHE HN 23 VAL MGY 5.50 (# 473:25 Unique 4.04, 5.94 A)
&rst
ixpk= 473, nxpk= 25, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 107 ALA HN 107 ALA HA 3.50 (# 478:25 Unique 2.87, 2.90 A)
&rst
ixpk= 478, nxpk= 25, iat=1626,1628, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 ALA HN 108 ALA HA 3.50 (# 479:25 Unique 2.85, 2.92 A)
&rst
ixpk= 479, nxpk= 25, iat=1646,1638, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 ALA HN 108 ALA HA 2.50 (# 480:25 Unique 2.20, 2.21 A)
&rst
ixpk= 480, nxpk= 25, iat=1636,1638, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 110 THR HN 108 ALA HA 5.50 (# 481:25 Unique 2.94, 3.41 A)
&rst
ixpk= 481, nxpk= 25, iat=1656,1638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 THR HN 92 VAL MGX 5.50 (# 482:25 Unique 4.69, 7.07 A)
&rst
ixpk= 482, nxpk= 25, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 24 VAL HN 23 VAL MGY 3.50 (# 484:25 Unique 2.78, 4.22 A)
&rst
ixpk= 484, nxpk= 25, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 25-2:485 23 VAL MGY 4.50 (# 485:25 Single Ambig)
&rst
ixpk= 485, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 744,1209,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 23 VAL HN 23 VAL MGY 4.50 (# 486:25 Unique 3.09, 4.35 A)
&rst
ixpk= 486, nxpk= 25, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 48 TYR HD 23 VAL MGY 4.50 (# 487:25 Unique 4.14, 6.15 A)
&rst
ixpk= 487, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 731, 740,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 25-2:488 25 VAL MGY 5.50 (# 488:25 Single Ambig)
&rst
ixpk= 488, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1159, 744,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 0 AMB 25-2:489 70 THR MG2 4.50 (# 489:25 Single Ambig)
&rst
ixpk= 489, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1039,1264,
igr2=1069,1070,1071,
&end
#
# 70 THR HN 70 THR MG2 3.50 (# 490:25 Unique 2.32, 3.32 A)
&rst
ixpk= 490, nxpk= 25, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1069,1070,1071,
&end
#
# 77 ASN HD2+ 70 THR MG2 3.50 (# 491:25 Unique 2.11, 4.12 A)
&rst
ixpk= 491, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1168,1169,
igr2=1069,1070,1071,
&end
#
# 84 GLN HE2+ 70 THR MG2 4.50 (# 492:25 Unique 2.70, 4.80 A)
&rst
ixpk= 492, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1276,1277,
igr2=1069,1070,1071,
&end
#
# 69 TRP HE3 70 THR MG2 4.50 (# 493:25 Unique 3.02, 4.16 A)
&rst
ixpk= 493, nxpk= 25, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1069,1070,1071,
&end
#
# 79 PHE HE 70 THR MG2 4.50 (# 494:25 Unique 2.67, 4.33 A)
&rst
ixpk= 494, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1199,1203,
igr2=1069,1070,1071,
&end
#
# 84 GLN HE2- 70 THR MG2 5.50 (# 495:25 Unique 2.70, 4.80 A)
&rst
ixpk= 495, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1276,1277,
igr2=1069,1070,1071,
&end
#
# 69 TRP HZ3 70 THR MG2 5.50 (# 496:25 Unique 4.43, 5.24 A)
&rst
ixpk= 496, nxpk= 25, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1069,1070,1071,
&end
#
# 47 SER HN 109 ALA HA 5.50 (# 497:25 Unique 3.19, 3.45 A)
&rst
ixpk= 497, nxpk= 25, iat= 712,1648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ALA HN 109 ALA HA 3.50 (# 498:25 Unique 2.84, 2.90 A)
&rst
ixpk= 498, nxpk= 25, iat=1646,1648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 THR HN 109 ALA HA 4.50 (# 499:25 Unique 3.46, 3.56 A)
&rst
ixpk= 499, nxpk= 25, iat=1656,1648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 ALA HN 107 ALA HA 4.50 (# 500:25 Unique 3.29, 3.33 A)
&rst
ixpk= 500, nxpk= 25, iat=1636,1628, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:501 92 VAL MGX 3.50 (# 501:25 Single Ambig)
&rst
ixpk= 501, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1367,1383,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 96 GLN HE2+ 92 VAL MGX 4.50 (# 502:25 Unique 2.30, 5.93 A)
&rst
ixpk= 502, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1449,1450,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 37 VAL HN 92 VAL MGX 5.50 (# 503:25 Unique 5.65, 7.67 A)
&rst
ixpk= 503, nxpk= 25, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 42 THR HN 44 VAL MGY 5.50 (# 504:25 Unique 4.60, 6.62 A)
&rst
ixpk= 504, nxpk= 25, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 44 VAL HN 44 VAL MGY 2.50 (# 505:25 Unique 1.91, 3.29 A)
&rst
ixpk= 505, nxpk= 25, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 95 HIS HE1 44 VAL MGY 4.50 (# 506:25 Unique 2.43, 4.25 A)
&rst
ixpk= 506, nxpk= 25, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 0 AMB 25-2:507 25 VAL MGY 3.50 (# 507:25 Single Ambig)
&rst
ixpk= 507, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 364, 380,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 48 TYR HD 25 VAL MGY 3.50 (# 508:25 Unique 2.61, 6.31 A)
&rst
ixpk= 508, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 731, 740,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 47 SER HN 46 ALA MB 3.50 (# 509:25 Unique 2.69, 3.69 A)
&rst
ixpk= 509, nxpk= 25, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 706, 707, 708,
&end
#
# 0 AMB 25-2:510 46 ALA MB 4.50 (# 510:25 Single Ambig)
&rst
ixpk= 510, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 723, 695, 679,
igr2= 706, 707, 708,
&end
#
# 43 GLN HN 44 VAL MGY 5.50 (# 511:25 Unique 4.06, 5.65 A)
&rst
ixpk= 511, nxpk= 25, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 95 HIS HD2 44 VAL MGY 5.50 (# 512:25 Unique 5.14, 7.07 A)
&rst
ixpk= 512, nxpk= 25, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 0 AMB 25-2:513 25 VAL MGX 5.50 (# 513:25 Single Ambig)
&rst
ixpk= 513, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 571, 629,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 48 TYR HD 25 VAL MGX 4.50 (# 514:25 Unique 2.61, 6.31 A)
&rst
ixpk= 514, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 731, 740,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 0 AMB 25-2:515 25 VAL MGX 2.50 (# 515:25 Single Ambig)
&rst
ixpk= 515, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 364, 380,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 0 AMB 25-2:516 0 AMB 25-1:516 4.50 (# 516:25 Double Ambig)
&rst
ixpk= 516, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1159, 744,
igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
1184,1185,
&end
#
# 51 VAL HN 25 VAL MGX 5.50 (# 517:25 Unique 4.25, 5.82 A)
&rst
ixpk= 517, nxpk= 25, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 26 PHE HD 25 VAL MGX 5.50 (# 518:25 Unique 5.59, 7.90 A)
&rst
ixpk= 518, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 388, 396,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 111 ALA HN 111 ALA HA 3.50 (# 519:25 Unique 2.20, 2.67 A)
&rst
ixpk= 519, nxpk= 25, iat=1670,1672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 LYS HN 111 ALA HA 3.50 (# 520:25 Unique 2.11, 2.95 A)
&rst
ixpk= 520, nxpk= 25, iat=1680,1672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:523 21 ALA MB 2.50 (# 523:25 Single Ambig)
&rst
ixpk= 523, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 332, 308,
igr2= 312, 313, 314,
&end
#
# 0 AMB 25-2:524 21 ALA MB 5.50 (# 524:25 Single Ambig)
&rst
ixpk= 524, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 348, 364,
igr2= 312, 313, 314,
&end
#
# 49 LYS HN 21 ALA MB 4.50 (# 525:25 Unique 3.21, 3.78 A)
&rst
ixpk= 525, nxpk= 25, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 312, 313, 314,
&end
#
# 20 SER HN 21 ALA MB 5.50 (# 526:25 Unique 4.82, 5.58 A)
&rst
ixpk= 526, nxpk= 25, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 312, 313, 314,
&end
#
# 46 ALA HN 46 ALA MB 2.50 (# 527:25 Unique 2.40, 2.90 A)
&rst
ixpk= 527, nxpk= 25, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 706, 707, 708,
&end
#
# 48 TYR HD 46 ALA MB 3.50 (# 528:25 Unique 2.45, 5.67 A)
&rst
ixpk= 528, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 731, 740,
igr2= 706, 707, 708,
&end
#
# 79 PHE HD 78 VAL MGY 5.50 (# 529:25 Unique 5.12, 7.55 A)
&rst
ixpk= 529, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1197,1205,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 79 PHE HN 78 VAL MGY 3.50 (# 530:25 Unique 2.53, 4.12 A)
&rst
ixpk= 530, nxpk= 25, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 86 GLY HN 78 VAL MGY 5.50 (# 531:25 Unique 4.21, 5.42 A)
&rst
ixpk= 531, nxpk= 25, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 25-2:532 24 VAL MGX 3.50 (# 532:25 Single Ambig)
&rst
ixpk= 532, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 364, 380,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 26 PHE HD 24 VAL MGX 4.50 (# 533:25 Unique 3.65, 6.51 A)
&rst
ixpk= 533, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 388, 396,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 25-2:534 24 VAL MGX 4.50 (# 534:25 Single Ambig)
&rst
ixpk= 534, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 308, 392,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 26 PHE HE 24 VAL MGX 3.50 (# 535:25 Unique 3.36, 5.56 A)
&rst
ixpk= 535, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 390, 394,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 25-2:537 24 VAL MGX 4.50 (# 537:25 Single Ambig)
&rst
ixpk= 537, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 744, 276,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 47 SER HN 109 ALA MB 4.50 (# 538:25 Unique 2.53, 3.88 A)
&rst
ixpk= 538, nxpk= 25, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1650,1651,1652,
&end
#
# 109 ALA HN 109 ALA MB 3.50 (# 539:25 Unique 2.40, 2.87 A)
&rst
ixpk= 539, nxpk= 25, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1650,1651,1652,
&end
#
# 0 AMB 25-2:540 109 ALA MB 5.50 (# 540:25 Single Ambig)
&rst
ixpk= 540, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1636,1578,
igr2=1650,1651,1652,
&end
#
# 110 THR HN 109 ALA MB 4.50 (# 541:25 Unique 2.39, 3.59 A)
&rst
ixpk= 541, nxpk= 25, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1650,1651,1652,
&end
#
# 107 ALA HN 109 ALA MB 5.50 (# 542:25 Unique 4.84, 5.52 A)
&rst
ixpk= 542, nxpk= 25, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1650,1651,1652,
&end
#
# 23 VAL HN 109 ALA MB 5.50 (# 543:25 Unique 4.73, 5.44 A)
&rst
ixpk= 543, nxpk= 25, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1650,1651,1652,
&end
#
# 95 HIS HE1 44 VAL MGX 5.50 (# 548:25 Unique 2.43, 4.25 A)
&rst
ixpk= 548, nxpk= 25, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 43 GLN HN 44 VAL MGX 5.50 (# 549:25 Unique 4.06, 5.65 A)
&rst
ixpk= 549, nxpk= 25, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 42 THR HN 44 VAL MGX 5.50 (# 550:25 Unique 4.60, 6.62 A)
&rst
ixpk= 550, nxpk= 25, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 46 ALA HN 44 VAL MGX 3.50 (# 551:25 Unique 2.30, 4.66 A)
&rst
ixpk= 551, nxpk= 25, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 44 VAL HN 44 VAL MGX 2.50 (# 552:25 Unique 1.91, 3.29 A)
&rst
ixpk= 552, nxpk= 25, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 95 HIS HE1 44 VAL MGX 5.50 (# 553:25 Unique 2.43, 4.25 A)
&rst
ixpk= 553, nxpk= 25, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 0 AMB 25-2:554 51 VAL MGX 5.50 (# 554:25 Single Ambig)
&rst
ixpk= 554, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 364, 380,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 0 AMB 25-2:555 51 VAL MGX 3.50 (# 555:25 Single Ambig)
&rst
ixpk= 555, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 782, 798,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 26 PHE HD 51 VAL MGX 4.50 (# 556:25 Unique 2.52, 5.49 A)
&rst
ixpk= 556, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 388, 396,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 26 PHE HZ 51 VAL MGX 5.50 (# 557:25 Unique 3.95, 5.76 A)
&rst
ixpk= 557, nxpk= 25, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 26 PHE HE 51 VAL MGX 4.50 (# 558:25 Unique 2.41, 5.55 A)
&rst
ixpk= 558, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 390, 394,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 0 AMB 25-2:559 107 ALA MB 5.50 (# 559:25 Single Ambig)
&rst
ixpk= 559, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1597,1209,
igr2=1630,1631,1632,
&end
#
# 111 ALA HN 111 ALA MB 3.50 (# 560:25 Unique 2.37, 3.21 A)
&rst
ixpk= 560, nxpk= 25, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1674,1675,1676,
&end
#
# 108 ALA HN 107 ALA MB 3.50 (# 561:25 Unique 3.49, 4.12 A)
&rst
ixpk= 561, nxpk= 25, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1630,1631,1632,
&end
#
# 107 ALA HN 107 ALA MB 2.50 (# 563:25 Unique 2.44, 2.87 A)
&rst
ixpk= 563, nxpk= 25, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1630,1631,1632,
&end
#
# 23 VAL HN 107 ALA MB 5.50 (# 564:25 Unique 5.73, 6.66 A)
&rst
ixpk= 564, nxpk= 25, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1630,1631,1632,
&end
#
# 109 ALA HN 107 ALA MB 4.50 (# 565:25 Unique 2.70, 3.69 A)
&rst
ixpk= 565, nxpk= 25, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1630,1631,1632,
&end
#
# 110 THR HN 111 ALA MB 5.50 (# 567:25 Unique 4.47, 5.94 A)
&rst
ixpk= 567, nxpk= 25, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1674,1675,1676,
&end
#
# 115 ALA HN 115 ALA MB 3.50 (# 569:25 Unique 2.48, 3.15 A)
&rst
ixpk= 569, nxpk= 25, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1734,1735,1736,
&end
#
# 116 GLN HN 115 ALA MB 5.50 (# 570:25 Unique 2.07, 3.84 A)
&rst
ixpk= 570, nxpk= 25, iat=1740, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1734,1735,1736,
&end
#
# 0 AMB 25-2:571 107 ALA MB 5.50 (# 571:25 Single Ambig)
&rst
ixpk= 571, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1597,1209,
igr2=1630,1631,1632,
&end
#
# 105 GLN HN 107 ALA MB 5.50 (# 572:25 Unique 5.13, 6.11 A)
&rst
ixpk= 572, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1630,1631,1632,
&end
#
# 61 GLN HE2+ 10 ALA MB 5.50 (# 573:25 Unique 2.41, 5.84 A)
&rst
ixpk= 573, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 931, 932,
igr2= 141, 142, 143,
&end
#
# 0 AMB 25-2:574 0 AMB 25-1:574 2.50 (# 574:25 Double Ambig)
&rst
ixpk= 574, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1670, 137,
igr2=1674,1675,1676, 141, 142, 143,
&end
#
# 23 VAL HN 22 PRO HD- 5.50 (# 576:25 Unique 3.02, 3.58 A)
&rst
ixpk= 576, nxpk= 25, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 319, 320,
&end
#
# 23 VAL HN 22 PRO HD+ 5.50 (# 577:25 Unique 3.02, 3.58 A)
&rst
ixpk= 577, nxpk= 25, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 319, 320,
&end
#
# 0 AMB 25-2:578 0 AMB 25-1:578 5.50 (# 578:25 Double Ambig)
&rst
ixpk= 578, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1730,1680,
igr2=1717,1718,1717,1718,
&end
#
# 14 ALA HN 10 ALA MB 5.50 (# 579:25 Unique 4.66, 5.47 A)
&rst
ixpk= 579, nxpk= 25, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 141, 142, 143,
&end
#
# 0 AMB 25-2:580 10 ALA MB 4.50 (# 580:25 Single Ambig)
&rst
ixpk= 580, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 936, 115,
igr2= 141, 142, 143,
&end
#
# 0 AMB 25-2:581 9 ALA MB 2.50 (# 581:25 Single Ambig)
&rst
ixpk= 581, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 127, 137,
igr2= 131, 132, 133,
&end
#
# 69 TRP HE3 65 ALA MB 5.50 (# 582:25 Unique 4.26, 5.36 A)
&rst
ixpk= 582, nxpk= 25, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 987, 988, 989,
&end
#
# 0 AMB 25-2:583 0 AMB 25-1:583 4.50 (# 583:25 Double Ambig)
&rst
ixpk= 583, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 115, 936,
igr2= 131, 132, 133, 987, 988, 989,
&end
#
# 0 AMB 25-2:584 0 AMB 25-1:584 4.50 (# 584:25 Double Ambig)
&rst
ixpk= 584, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1084, 188,
igr2=1016,1017,1018, 131, 132, 133, 987, 988, 989,
&end
#
# 5 GLN HE2- 9 ALA MB 4.50 (# 585:25 Unique 2.42, 4.78 A)
&rst
ixpk= 585, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 76, 77,
igr2= 131, 132, 133,
&end
#
# 68 HIS HD2 65 ALA MB 5.50 (# 586:25 Unique 3.59, 4.80 A)
&rst
ixpk= 586, nxpk= 25, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 987, 988, 989,
&end
#
# 0 AMB 25-2:587 0 AMB 25-1:587 5.50 (# 587:25 Double Ambig)
&rst
ixpk= 587, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 76, 77, 967, 968,
igr2= 131, 132, 133,1016,1017,1018,
&end
#
# 66 LEU HN 65 ALA MB 3.50 (# 588:25 Unique 2.55, 3.41 A)
&rst
ixpk= 588, nxpk= 25, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 987, 988, 989,
&end
#
# 0 AMB 25-2:589 0 AMB 25-1:589 2.50 (# 589:25 Double Ambig)
&rst
ixpk= 589, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1012, 983, 147,
igr2=1016,1017,1018, 987, 988, 989,
&end
#
# 68 HIS HN 67 ALA MB 3.50 (# 590:25 Unique 2.37, 3.28 A)
&rst
ixpk= 590, nxpk= 25, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1016,1017,1018,
&end
#
# 63 GLN HE2+ 67 ALA MB 5.50 (# 591:25 Unique 2.69, 5.32 A)
&rst
ixpk= 591, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 967, 968,
igr2=1016,1017,1018,
&end
#
# 75 VAL HN 75 VAL MGX 3.50 (# 592:25 Unique 1.99, 3.47 A)
&rst
ixpk= 592, nxpk= 25, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 28 LYS HN 75 VAL MGX 5.50 (# 593:25 Unique 3.36, 4.80 A)
&rst
ixpk= 593, nxpk= 25, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 63 GLN HE2- 75 VAL MGX 4.50 (# 594:25 Unique 2.78, 5.57 A)
&rst
ixpk= 594, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 967, 968,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 0 AMB 25-2:595 80 ILE MG2 5.50 (# 595:25 Single Ambig)
&rst
ixpk= 595, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1646,1614,
igr2=1215,1216,1217,
&end
#
# 101 LEU HN 102 PRO HD- 4.50 (# 596:25 Unique 2.43, 2.94 A)
&rst
ixpk= 596, nxpk= 25, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1546,1547,
&end
#
# 101 LEU HN 102 PRO HD+ 5.50 (# 597:25 Unique 2.43, 2.94 A)
&rst
ixpk= 597, nxpk= 25, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1546,1547,
&end
#
# 103 LEU HN 102 PRO HD+ 5.50 (# 598:25 Unique 3.04, 3.77 A)
&rst
ixpk= 598, nxpk= 25, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1546,1547,
&end
#
# 109 ALA HN 108 ALA MB 4.50 (# 599:25 Unique 4.17, 4.49 A)
&rst
ixpk= 599, nxpk= 25, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1640,1641,1642,
&end
#
# 110 THR HN 108 ALA MB 5.50 (# 600:25 Unique 4.72, 5.55 A)
&rst
ixpk= 600, nxpk= 25, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1640,1641,1642,
&end
#
# 107 ALA HN 108 ALA MB 5.50 (# 601:25 Unique 5.56, 6.08 A)
&rst
ixpk= 601, nxpk= 25, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1640,1641,1642,
&end
#
# 73 GLY HN 67 ALA MB 5.50 (# 602:25 Unique 3.37, 4.59 A)
&rst
ixpk= 602, nxpk= 25, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1016,1017,1018,
&end
#
# 15 LYS HN 65 ALA MB 5.50 (# 603:25 Unique 5.88, 6.65 A)
&rst
ixpk= 603, nxpk= 25, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 987, 988, 989,
&end
#
# 26 PHE HD 18 ALA MB 5.50 (# 604:25 Unique 4.92, 6.76 A)
&rst
ixpk= 604, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 388, 396,
igr2= 280, 281, 282,
&end
#
# 17 LEU HN 18 ALA MB 4.50 (# 605:25 Unique 4.90, 5.47 A)
&rst
ixpk= 605, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 280, 281, 282,
&end
#
# 18 ALA HN 18 ALA MB 2.50 (# 606:25 Unique 2.44, 2.85 A)
&rst
ixpk= 606, nxpk= 25, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 280, 281, 282,
&end
#
# 0 AMB 25-2:607 18 ALA MB 4.50 (# 607:25 Single Ambig)
&rst
ixpk= 607, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 220,1242, 242,
igr2= 280, 281, 282,
&end
#
# 0 AMB 25-2:608 18 ALA MB 4.50 (# 608:25 Single Ambig)
&rst
ixpk= 608, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1052, 297,
igr2= 280, 281, 282,
&end
#
# 26 PHE HZ 18 ALA MB 3.50 (# 609:25 Unique 2.39, 3.56 A)
&rst
ixpk= 609, nxpk= 25, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 280, 281, 282,
&end
#
# 69 TRP HH2 18 ALA MB 3.50 (# 610:25 Unique 2.34, 2.86 A)
&rst
ixpk= 610, nxpk= 25, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 280, 281, 282,
&end
#
# 69 TRP HZ3 18 ALA MB 3.50 (# 611:25 Unique 2.69, 3.77 A)
&rst
ixpk= 611, nxpk= 25, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 280, 281, 282,
&end
#
# 77 ASN HN 75 VAL MGX 5.50 (# 612:25 Unique 3.46, 5.75 A)
&rst
ixpk= 612, nxpk= 25, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 0 AMB 25-2:613 80 ILE MG2 4.50 (# 613:25 Single Ambig)
&rst
ixpk= 613, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1209,1597,
igr2=1215,1216,1217,
&end
#
# 104 LEU HN 80 ILE MG2 5.50 (# 614:25 Unique 3.86, 5.27 A)
&rst
ixpk= 614, nxpk= 25, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1215,1216,1217,
&end
#
# 107 ALA HN 80 ILE MG2 5.50 (# 615:25 Unique 3.98, 4.67 A)
&rst
ixpk= 615, nxpk= 25, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1215,1216,1217,
&end
#
# 108 ALA HN 108 ALA MB 3.50 (# 616:25 Unique 3.01, 3.56 A)
&rst
ixpk= 616, nxpk= 25, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1640,1641,1642,
&end
#
# 14 ALA HN 14 ALA MB 2.50 (# 617:25 Unique 2.45, 2.91 A)
&rst
ixpk= 617, nxpk= 25, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 214, 215, 216,
&end
#
# 0 AMB 25-2:618 14 ALA MB 4.50 (# 618:25 Single Ambig)
&rst
ixpk= 618, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 147, 983,1012,
igr2= 214, 215, 216,
&end
#
# 15 LYS HN 14 ALA MB 3.50 (# 619:25 Unique 2.61, 3.49 A)
&rst
ixpk= 619, nxpk= 25, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 214, 215, 216,
&end
#
# 0 AMB 25-2:620 14 ALA MB 4.50 (# 620:25 Single Ambig)
&rst
ixpk= 620, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 188,1052,
igr2= 214, 215, 216,
&end
#
# 12 LYS HN 14 ALA MB 5.50 (# 621:25 Unique 5.21, 6.07 A)
&rst
ixpk= 621, nxpk= 25, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 214, 215, 216,
&end
#
# 0 AMB 25-2:622 14 ALA MB 4.50 (# 622:25 Single Ambig)
&rst
ixpk= 622, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 390, 394,1054,
igr2= 214, 215, 216,
&end
#
# 69 TRP HZ3 14 ALA MB 4.50 (# 623:25 Unique 2.32, 3.18 A)
&rst
ixpk= 623, nxpk= 25, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 214, 215, 216,
&end
#
# 10 ALA HN 14 ALA MB 7.00 (# 624:25 Unique 6.89, 7.66 A)
&rst
ixpk= 624, nxpk= 25, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 214, 215, 216,
&end
#
# 26 PHE HZ 14 ALA MB 5.50 (# 625:25 Unique 3.39, 4.49 A)
&rst
ixpk= 625, nxpk= 25, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 214, 215, 216,
&end
#
# 69 TRP HE3 14 ALA MB 4.50 (# 626:25 Unique 2.88, 3.40 A)
&rst
ixpk= 626, nxpk= 25, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 214, 215, 216,
&end
#
# 78 VAL HN 85 ILE MG2 5.50 (# 627:25 Unique 5.24, 6.72 A)
&rst
ixpk= 627, nxpk= 25, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1287,1288,1289,
&end
#
# 80 ILE HN 85 ILE MG2 5.50 (# 628:25 Unique 5.60, 6.13 A)
&rst
ixpk= 628, nxpk= 25, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1287,1288,1289,
&end
#
# 0 AMB 25-2:629 85 ILE MG2 5.50 (# 629:25 Single Ambig)
&rst
ixpk= 629, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1307,1337,
igr2=1287,1288,1289,
&end
#
# 85 ILE HN 85 ILE MG2 4.50 (# 630:25 Unique 3.96, 4.64 A)
&rst
ixpk= 630, nxpk= 25, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1287,1288,1289,
&end
#
# 0 AMB 25-2:631 85 ILE MG2 5.50 (# 631:25 Single Ambig)
&rst
ixpk= 631, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1398,1367,
igr2=1287,1288,1289,
&end
#
# 91 VAL HN 85 ILE MG2 5.50 (# 632:25 Unique 4.38, 5.74 A)
&rst
ixpk= 632, nxpk= 25, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1287,1288,1289,
&end
#
# 86 GLY HN 85 ILE MG2 4.50 (# 633:25 Unique 2.99, 4.33 A)
&rst
ixpk= 633, nxpk= 25, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1287,1288,1289,
&end
#
# 59 GLY HN 59 GLY HA+ 4.50 (# 634:25 Unique 2.23, 2.48 A)
&rst
ixpk= 634, nxpk= 25, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 903, 904,
&end
#
# 32 GLY HN 32 GLY QA 3.50 (# 635:25 Unique 2.27, 2.55 A)
&rst
ixpk= 635, nxpk= 25, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 480, 481,
&end
#
# 35 ASN HN 32 GLY QA 5.50 (# 636:25 Unique 3.20, 4.08 A)
&rst
ixpk= 636, nxpk= 25, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 480, 481,
&end
#
# 35 ASN HD2+ 32 GLY QA 4.50 (# 637:25 Unique 2.89, 5.02 A)
&rst
ixpk= 637, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 526, 527,
igr2= 480, 481,
&end
#
# 82 GLY HN 81 GLY HA- 5.50 (# 638:25 Unique 2.98, 3.29 A)
&rst
ixpk= 638, nxpk= 25, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1230,1231,
&end
#
# 33 TYR HN 32 GLY QA 5.50 (# 639:25 Unique 2.83, 3.25 A)
&rst
ixpk= 639, nxpk= 25, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 480, 481,
&end
#
# 82 GLY HN 81 GLY HA+ 5.50 (# 640:25 Unique 2.98, 3.29 A)
&rst
ixpk= 640, nxpk= 25, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1230,1231,
&end
#
# 0 AMB 25-2:641 80 ILE MD1 4.50 (# 641:25 Single Ambig)
&rst
ixpk= 641, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1209,1597,
igr2=1222,1223,1224,
&end
#
# 104 LEU HN 80 ILE MD1 5.50 (# 642:25 Unique 4.24, 5.29 A)
&rst
ixpk= 642, nxpk= 25, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1222,1223,1224,
&end
#
# 103 LEU HN 80 ILE MD1 5.50 (# 643:25 Unique 5.99, 6.73 A)
&rst
ixpk= 643, nxpk= 25, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1222,1223,1224,
&end
#
# 45 GLY HN 45 GLY HA+ 3.50 (# 644:25 Unique 2.26, 2.58 A)
&rst
ixpk= 644, nxpk= 25, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 697, 698,
&end
#
# 46 ALA HN 45 GLY HA- 4.50 (# 645:25 Unique 2.85, 3.29 A)
&rst
ixpk= 645, nxpk= 25, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 697, 698,
&end
#
# 45 GLY HN 45 GLY HA- 3.50 (# 646:25 Unique 2.26, 2.58 A)
&rst
ixpk= 646, nxpk= 25, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 697, 698,
&end
#
# 71 GLY HN 71 GLY HA+ 3.50 (# 647:25 Unique 2.28, 2.60 A)
&rst
ixpk= 647, nxpk= 25, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1079,1080,
&end
#
# 46 ALA HN 45 GLY HA+ 4.50 (# 648:25 Unique 2.85, 3.29 A)
&rst
ixpk= 648, nxpk= 25, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 697, 698,
&end
#
# 71 GLY HN 71 GLY HA- 3.50 (# 649:25 Unique 2.28, 2.60 A)
&rst
ixpk= 649, nxpk= 25, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1079,1080,
&end
#
# 82 GLY HN 82 GLY HA+ 3.50 (# 650:25 Unique 2.28, 2.57 A)
&rst
ixpk= 650, nxpk= 25, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1237,1238,
&end
#
# 83 LYS HN 82 GLY HA+ 4.50 (# 651:25 Unique 3.15, 3.37 A)
&rst
ixpk= 651, nxpk= 25, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1237,1238,
&end
#
# 0 AMB 25-2:652 0 AMB 25-1:652 5.50 (# 652:25 Double Ambig)
&rst
ixpk= 652, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 967, 968,1115,
igr2=1110,1111,1110,1111,
&end
#
# 73 GLY HN 73 GLY HA- 5.50 (# 654:25 Unique 2.26, 2.59 A)
&rst
ixpk= 654, nxpk= 25, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1110,1111,
&end
#
# 0 AMB 25-2:655 73 GLY HA- 5.50 (# 655:25 Single Ambig)
&rst
ixpk= 655, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 967, 968,1115,
igr2=1110,1111,
&end
#
# 82 GLY HN 82 GLY HA- 3.50 (# 656:25 Unique 2.28, 2.57 A)
&rst
ixpk= 656, nxpk= 25, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1237,1238,
&end
#
# 83 LYS HN 82 GLY HA- 5.50 (# 657:25 Unique 3.15, 3.37 A)
&rst
ixpk= 657, nxpk= 25, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1237,1238,
&end
#
# 0 AMB 25-2:659 0 AMB 25-1:659 4.50 (# 659:25 Double Ambig)
&rst
ixpk= 659, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1276,1277,1300,
igr2=1302,1303,1302,1303,
&end
#
# 87 GLY HN 86 GLY HA+ 3.50 (# 660:25 Unique 2.16, 2.63 A)
&rst
ixpk= 660, nxpk= 25, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1302,1303,
&end
#
# 87 GLY HN 86 GLY HA- 3.50 (# 661:25 Unique 2.16, 2.63 A)
&rst
ixpk= 661, nxpk= 25, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1302,1303,
&end
#
# 0 AMB 25-2:662 86 GLY HA- 4.50 (# 662:25 Single Ambig)
&rst
ixpk= 662, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1276,1277,1300,
igr2=1302,1303,
&end
#
# 87 GLY HN 87 GLY HA- 4.50 (# 663:25 Unique 2.41, 2.76 A)
&rst
ixpk= 663, nxpk= 25, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1309,1310,
&end
#
# 88 CYS HN 87 GLY HA- 4.50 (# 664:25 Unique 2.34, 2.58 A)
&rst
ixpk= 664, nxpk= 25, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1309,1310,
&end
#
# 0 AMB 25-2:665 0 AMB 25-1:665 5.50 (# 665:25 Double Ambig)
&rst
ixpk= 665, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1492,1437,1314,
igr2=1464,1465, 541, 542,
&end
#
# 97 ARG HE 97 ARG QD 3.50 (# 666:25 Unique 2.28, 2.68 A)
&rst
ixpk= 666, nxpk= 25, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1464,1465,
&end
#
# 36 ARG HN 36 ARG HD- 5.50 (# 669:25 Unique 3.58, 4.96 A)
&rst
ixpk= 669, nxpk= 25, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 541, 542,
&end
#
# 33 TYR HE 36 ARG HD+ 5.50 (# 670:25 Unique 3.79, 6.53 A)
&rst
ixpk= 670, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 495, 500,
igr2= 541, 542,
&end
#
# 0 AMB 25-2:671 0 AMB 25-1:671 5.50 (# 671:25 Double Ambig)
&rst
ixpk= 671, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 531, 555,
igr2= 541, 542, 541, 542,
&end
#
# 59 GLY HN 56 LEU HB+ 5.50 (# 673:25 Unique 2.69, 3.88 A)
&rst
ixpk= 673, nxpk= 25, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 863, 864,
&end
#
# 58 ASP HN 56 LEU HB+ 5.50 (# 674:25 Unique 2.66, 4.06 A)
&rst
ixpk= 674, nxpk= 25, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 863, 864,
&end
#
# 56 LEU HN 56 LEU HB+ 5.50 (# 675:25 Unique 2.41, 2.54 A)
&rst
ixpk= 675, nxpk= 25, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 863, 864,
&end
#
# 56 LEU HN 56 LEU HB- 4.50 (# 676:25 Unique 2.41, 2.54 A)
&rst
ixpk= 676, nxpk= 25, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 863, 864,
&end
#
# 58 ASP HN 56 LEU HB- 5.50 (# 677:25 Unique 2.66, 4.06 A)
&rst
ixpk= 677, nxpk= 25, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 863, 864,
&end
#
# 18 ALA HN 17 LEU HB+ 5.50 (# 678:25 Unique 2.50, 2.98 A)
&rst
ixpk= 678, nxpk= 25, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 261, 262,
&end
#
# 26 PHE HZ 17 LEU HB+ 5.50 (# 679:25 Unique 2.41, 2.81 A)
&rst
ixpk= 679, nxpk= 25, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 261, 262,
&end
#
# 17 LEU HN 17 LEU HB+ 4.50 (# 680:25 Unique 2.32, 2.97 A)
&rst
ixpk= 680, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 261, 262,
&end
#
# 117 LEU HN 117 LEU QB 4.50 (# 681:25 Unique 2.27, 2.86 A)
&rst
ixpk= 681, nxpk= 25, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1761,1762,
&end
#
# 17 LEU HN 17 LEU HB- 5.50 (# 682:25 Unique 2.32, 2.97 A)
&rst
ixpk= 682, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 261, 262,
&end
#
# 17 LEU HN 17 LEU HB- 5.50 (# 683:25 Unique 2.32, 2.97 A)
&rst
ixpk= 683, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 261, 262,
&end
#
# 26 PHE HZ 17 LEU HB- 5.50 (# 684:25 Unique 2.41, 2.81 A)
&rst
ixpk= 684, nxpk= 25, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 261, 262,
&end
#
# 79 PHE HN 79 PHE HB+ 5.50 (# 685:25 Unique 2.50, 3.11 A)
&rst
ixpk= 685, nxpk= 25, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1193,1194,
&end
#
# 79 PHE HD 79 PHE HB+ 4.50 (# 686:25 Unique 2.29, 3.09 A)
&rst
ixpk= 686, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1197,1205,
igr2=1193,1194,
&end
#
# 77 ASN HD2+ 72 ARG HD- 5.50 (# 687:25 Unique 3.23, 4.70 A)
&rst
ixpk= 687, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1168,1169,
igr2=1094,1095,
&end
#
# 0 AMB 25-2:688 72 ARG HD- 5.50 (# 688:25 Single Ambig)
&rst
ixpk= 688, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1097,1276,1277,
igr2=1094,1095,
&end
#
# 79 PHE HD 79 PHE HB- 4.50 (# 689:25 Unique 2.29, 3.09 A)
&rst
ixpk= 689, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1197,1205,
igr2=1193,1194,
&end
#
# 100 LEU HN 100 LEU HB+ 5.50 (# 690:25 Unique 2.24, 2.53 A)
&rst
ixpk= 690, nxpk= 25, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1511,1512,
&end
#
# 100 LEU HN 100 LEU HB- 5.50 (# 691:25 Unique 2.24, 2.53 A)
&rst
ixpk= 691, nxpk= 25, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1511,1512,
&end
#
# 83 LYS HN 83 LYS QE 7.00 (# 692:25 Unique 4.72, 6.35 A)
&rst
ixpk= 692, nxpk= 25, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1255,1256,
&end
#
# 104 LEU HN 103 LEU HB+ 4.50 (# 693:25 Unique 2.62, 3.31 A)
&rst
ixpk= 693, nxpk= 25, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1563,1564,
&end
#
# 103 LEU HN 103 LEU HB+ 4.50 (# 694:25 Unique 2.11, 2.48 A)
&rst
ixpk= 694, nxpk= 25, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1563,1564,
&end
#
# 0 AMB 25-2:695 0 AMB 25-1:695 3.50 (# 695:25 Double Ambig)
&rst
ixpk= 695, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 936, 955,
igr2= 940, 941, 940, 941,
&end
#
# 66 LEU HN 66 LEU HB+ 4.50 (# 696:25 Unique 2.07, 2.85 A)
&rst
ixpk= 696, nxpk= 25, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 997, 998,
&end
#
# 67 ALA HN 66 LEU HB+ 4.50 (# 697:25 Unique 2.60, 3.06 A)
&rst
ixpk= 697, nxpk= 25, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 997, 998,
&end
#
# 53 LEU HN 53 LEU HB+ 5.50 (# 698:25 Unique 2.22, 2.97 A)
&rst
ixpk= 698, nxpk= 25, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 817, 818,
&end
#
# 104 LEU HN 103 LEU HB- 5.50 (# 699:25 Unique 2.62, 3.31 A)
&rst
ixpk= 699, nxpk= 25, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1563,1564,
&end
#
# 103 LEU HN 103 LEU HB- 4.50 (# 700:25 Unique 2.11, 2.48 A)
&rst
ixpk= 700, nxpk= 25, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1563,1564,
&end
#
# 67 ALA HN 66 LEU HB- 5.50 (# 702:25 Unique 2.60, 3.06 A)
&rst
ixpk= 702, nxpk= 25, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 997, 998,
&end
#
# 66 LEU HN 66 LEU HB- 4.50 (# 703:25 Unique 2.07, 2.85 A)
&rst
ixpk= 703, nxpk= 25, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 997, 998,
&end
#
# 0 AMB 25-2:704 62 LEU HB- 3.50 (# 704:25 Single Ambig)
&rst
ixpk= 704, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 936, 955,
igr2= 940, 941,
&end
#
# 0 AMB 25-2:705 0 AMB 25-1:705 5.50 (# 705:25 Double Ambig)
&rst
ixpk= 705, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 571, 593,
igr2= 584, 585, 584, 585,
&end
#
# 105 GLN HN 103 LEU HB+ 5.50 (# 706:25 Unique 5.02, 5.51 A)
&rst
ixpk= 706, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1563,1564,
&end
#
# 41 LEU HN 40 LEU QB 3.50 (# 707:25 Unique 2.35, 3.06 A)
&rst
ixpk= 707, nxpk= 25, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 614, 615,
&end
#
# 40 LEU HN 40 LEU QB 2.50 (# 708:25 Unique 2.28, 2.47 A)
&rst
ixpk= 708, nxpk= 25, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 614, 615,
&end
#
# 48 TYR HE 38 LYS HE+ 5.50 (# 709:25 Unique 2.70, 5.43 A)
&rst
ixpk= 709, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 733, 738,
igr2= 584, 585,
&end
#
# 42 THR HN 41 LEU HB+ 5.50 (# 712:25 Unique 2.60, 3.15 A)
&rst
ixpk= 712, nxpk= 25, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 633, 634,
&end
#
# 105 GLN HN 104 LEU HB+ 5.50 (# 713:25 Unique 2.53, 3.10 A)
&rst
ixpk= 713, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1582,1583,
&end
#
# 104 LEU HN 104 LEU HB+ 5.50 (# 714:25 Unique 2.33, 2.96 A)
&rst
ixpk= 714, nxpk= 25, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1582,1583,
&end
#
# 11 LEU HN 11 LEU QB 2.50 (# 715:25 Unique 2.27, 2.50 A)
&rst
ixpk= 715, nxpk= 25, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 151, 152,
&end
#
# 12 LYS HN 11 LEU QB 3.50 (# 716:25 Unique 2.44, 3.38 A)
&rst
ixpk= 716, nxpk= 25, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 151, 152,
&end
#
# 105 GLN HN 104 LEU HB- 5.50 (# 717:25 Unique 2.53, 3.10 A)
&rst
ixpk= 717, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1582,1583,
&end
#
# 104 LEU HN 104 LEU HB- 4.50 (# 718:25 Unique 2.33, 2.96 A)
&rst
ixpk= 718, nxpk= 25, iat=1578, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1582,1583,
&end
#
# 41 LEU HN 41 LEU HB+ 4.50 (# 719:25 Unique 2.15, 2.93 A)
&rst
ixpk= 719, nxpk= 25, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 633, 634,
&end
#
# 0 AMB 25-2:720 41 LEU HB- 5.50 (# 720:25 Single Ambig)
&rst
ixpk= 720, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 731, 740, 733, 738,
igr2= 633, 634,
&end
#
# 41 LEU HN 41 LEU HB- 5.50 (# 721:25 Unique 2.15, 2.93 A)
&rst
ixpk= 721, nxpk= 25, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 633, 634,
&end
#
# 0 AMB 25-2:722 41 LEU HB- 5.50 (# 722:25 Single Ambig)
&rst
ixpk= 722, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 731, 740, 733, 738,
igr2= 633, 634,
&end
#
# 0 AMB 25-2:723 15 LYS HE- 5.50 (# 723:25 Single Ambig)
&rst
ixpk= 723, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 220, 242,
igr2= 233, 234,
&end
#
# 0 AMB 25-2:724 0 AMB 25-1:724 4.50 (# 724:25 Double Ambig)
&rst
ixpk= 724, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 81, 137, 127,1032,
igr2= 100, 101, 151, 152,
&end
#
# 13 LYS HN 11 LEU QB 5.50 (# 725:25 Unique 4.99, 5.64 A)
&rst
ixpk= 725, nxpk= 25, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 151, 152,
&end
#
# 8 ASP HN 7 LEU QB 4.50 (# 726:25 Unique 2.47, 3.22 A)
&rst
ixpk= 726, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 100, 101,
&end
#
# 80 ILE HN 80 ILE HB 4.50 (# 727:25 Unique 2.84, 2.87 A)
&rst
ixpk= 727, nxpk= 25, iat=1209,1213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 TRP HZ2 15 LYS HE+ 5.50 (# 728:25 Unique 2.68, 3.55 A)
&rst
ixpk= 728, nxpk= 25, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 233, 234,
&end
#
# 85 ILE HN 85 ILE MD1 4.50 (# 729:25 Unique 3.17, 4.47 A)
&rst
ixpk= 729, nxpk= 25, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1294,1295,1296,
&end
#
# 80 ILE HN 85 ILE MD1 4.50 (# 730:25 Unique 2.13, 3.76 A)
&rst
ixpk= 730, nxpk= 25, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1294,1295,1296,
&end
#
# 83 LYS HN 85 ILE MD1 5.50 (# 731:25 Unique 4.24, 5.13 A)
&rst
ixpk= 731, nxpk= 25, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1294,1295,1296,
&end
#
# 86 GLY HN 85 ILE MD1 5.50 (# 732:25 Unique 4.95, 5.79 A)
&rst
ixpk= 732, nxpk= 25, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1294,1295,1296,
&end
#
# 49 LYS HN 48 TYR HB+ 5.50 (# 733:25 Unique 2.33, 3.12 A)
&rst
ixpk= 733, nxpk= 25, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 727, 728,
&end
#
# 48 TYR HD 48 TYR HB+ 4.50 (# 734:25 Unique 2.35, 3.08 A)
&rst
ixpk= 734, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 731, 740,
igr2= 727, 728,
&end
#
# 48 TYR HD 48 TYR HB- 4.50 (# 735:25 Unique 2.35, 3.08 A)
&rst
ixpk= 735, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 731, 740,
igr2= 727, 728,
&end
#
# 77 ASN HN 77 ASN HB+ 5.50 (# 737:25 Unique 2.62, 2.94 A)
&rst
ixpk= 737, nxpk= 25, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1163,1164,
&end
#
# 77 ASN HD2+ 77 ASN HB+ 5.50 (# 738:25 Unique 2.18, 3.19 A)
&rst
ixpk= 738, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1168,1169,
igr2=1163,1164,
&end
#
# 106 ASP HN 106 ASP HB+ 2.50 (# 739:25 Unique 2.34, 2.50 A)
&rst
ixpk= 739, nxpk= 25, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2=1618,1619,
&end
#
# 107 ALA HN 106 ASP HB+ 4.50 (# 740:25 Unique 2.59, 3.35 A)
&rst
ixpk= 740, nxpk= 25, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1618,1619,
&end
#
# 77 ASN HD2+ 77 ASN HB- 4.50 (# 741:25 Unique 2.18, 3.19 A)
&rst
ixpk= 741, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1168,1169,
igr2=1163,1164,
&end
#
# 77 ASN HN 77 ASN HB- 5.50 (# 742:25 Unique 2.62, 2.94 A)
&rst
ixpk= 742, nxpk= 25, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1163,1164,
&end
#
# 106 ASP HN 106 ASP HB- 3.50 (# 743:25 Unique 2.34, 2.50 A)
&rst
ixpk= 743, nxpk= 25, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1618,1619,
&end
#
# 107 ALA HN 106 ASP HB- 3.50 (# 744:25 Unique 2.59, 3.35 A)
&rst
ixpk= 744, nxpk= 25, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1618,1619,
&end
#
# 9 ALA HN 8 ASP HB+ 3.50 (# 745:25 Unique 2.60, 3.36 A)
&rst
ixpk= 745, nxpk= 25, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 119, 120,
&end
#
# 8 ASP HN 8 ASP HB+ 3.50 (# 746:25 Unique 2.33, 2.50 A)
&rst
ixpk= 746, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 119, 120,
&end
#
# 9 ALA HN 8 ASP HB- 4.50 (# 747:25 Unique 2.60, 3.36 A)
&rst
ixpk= 747, nxpk= 25, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 119, 120,
&end
#
# 8 ASP HN 8 ASP HB- 3.50 (# 748:25 Unique 2.33, 2.50 A)
&rst
ixpk= 748, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 119, 120,
&end
#
# 0 AMB 25-2:749 70 THR HB 5.50 (# 749:25 Single Ambig)
&rst
ixpk= 749, nxpk= 25, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1168,1169,1084,
&end
#
# 70 THR HN 70 THR HB 5.50 (# 750:25 Unique 3.61, 3.67 A)
&rst
ixpk= 750, nxpk= 25, iat=1063,1067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 VAL HN 74 THR HB 3.50 (# 751:25 Unique 2.21, 2.67 A)
&rst
ixpk= 751, nxpk= 25, iat=1129,1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 THR HN 74 THR HB 5.50 (# 752:25 Unique 2.85, 3.42 A)
&rst
ixpk= 752, nxpk= 25, iat=1115,1119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 PHE HN 26 PHE HB+ 5.50 (# 753:25 Unique 2.38, 3.04 A)
&rst
ixpk= 753, nxpk= 25, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 384, 385,
&end
#
# 26 PHE HD 26 PHE HB+ 4.50 (# 754:25 Unique 2.39, 3.09 A)
&rst
ixpk= 754, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 388, 396,
igr2= 384, 385,
&end
#
# 26 PHE HN 26 PHE HB- 5.50 (# 755:25 Unique 2.38, 3.04 A)
&rst
ixpk= 755, nxpk= 25, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 384, 385,
&end
#
# 26 PHE HD 26 PHE HB- 4.50 (# 756:25 Unique 2.39, 3.09 A)
&rst
ixpk= 756, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 388, 396,
igr2= 384, 385,
&end
#
# 54 ASP HN 54 ASP HB+ 5.50 (# 757:25 Unique 2.32, 2.52 A)
&rst
ixpk= 757, nxpk= 25, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 836, 837,
&end
#
# 113 ASN HN 113 ASN HB- 4.50 (# 758:25 Unique 2.24, 3.02 A)
&rst
ixpk= 758, nxpk= 25, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1706,1707,
&end
#
# 113 ASN HD2+ 113 ASN HB- 5.50 (# 759:25 Unique 2.21, 3.25 A)
&rst
ixpk= 759, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1711,1712,
igr2=1706,1707,
&end
#
# 0 AMB 25-2:760 0 AMB 25-1:760 3.50 (# 760:25 Double Ambig)
&rst
ixpk= 760, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1702,1325,
igr2=1706,1707,1329,1330,
&end
#
# 113 ASN HD2+ 113 ASN HB+ 4.50 (# 761:25 Unique 2.21, 3.25 A)
&rst
ixpk= 761, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1711,1712,
igr2=1706,1707,
&end
#
# 105 GLN HE2- 113 ASN HB+ 5.50 (# 762:25 Unique 2.19, 4.56 A)
&rst
ixpk= 762, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1609,1610,
igr2=1706,1707,
&end
#
# 90 THR HN 89 ASP HB+ 4.50 (# 763:25 Unique 2.69, 3.42 A)
&rst
ixpk= 763, nxpk= 25, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1329,1330,
&end
#
# 54 ASP HN 54 ASP HB- 5.50 (# 764:25 Unique 2.32, 2.52 A)
&rst
ixpk= 764, nxpk= 25, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 836, 837,
&end
#
# 89 ASP HN 89 ASP HB- 4.50 (# 765:25 Unique 2.47, 2.51 A)
&rst
ixpk= 765, nxpk= 25, iat=1325, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1329,1330,
&end
#
# 100 LEU HN 101 LEU QB 5.50 (# 766:25 Unique 4.56, 5.09 A)
&rst
ixpk= 766, nxpk= 25, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1530,1531,
&end
#
# 101 LEU HN 101 LEU QB 3.50 (# 767:25 Unique 2.13, 2.62 A)
&rst
ixpk= 767, nxpk= 25, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1530,1531,
&end
#
# 90 THR HN 89 ASP HB- 4.50 (# 768:25 Unique 2.69, 3.42 A)
&rst
ixpk= 768, nxpk= 25, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1329,1330,
&end
#
# 58 ASP HN 58 ASP HB+ 5.50 (# 769:25 Unique 2.67, 3.07 A)
&rst
ixpk= 769, nxpk= 25, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 893, 894,
&end
#
# 33 TYR HD 33 TYR HB+ 5.50 (# 770:25 Unique 2.36, 3.09 A)
&rst
ixpk= 770, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 493, 502,
igr2= 489, 490,
&end
#
# 58 ASP HN 58 ASP HB- 5.50 (# 771:25 Unique 2.67, 3.07 A)
&rst
ixpk= 771, nxpk= 25, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 893, 894,
&end
#
# 33 TYR HD 33 TYR HB- 5.50 (# 772:25 Unique 2.36, 3.09 A)
&rst
ixpk= 772, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 493, 502,
igr2= 489, 490,
&end
#
# 30 TYR HD 30 TYR HB- 3.50 (# 773:25 Unique 2.41, 3.09 A)
&rst
ixpk= 773, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 455, 464,
igr2= 451, 452,
&end
#
# 30 TYR HE 30 TYR HB- 5.50 (# 774:25 Unique 4.69, 5.11 A)
&rst
ixpk= 774, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 457, 462,
igr2= 451, 452,
&end
#
# 33 TYR HN 33 TYR HB- 5.50 (# 775:25 Unique 2.35, 3.01 A)
&rst
ixpk= 775, nxpk= 25, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 489, 490,
&end
#
# 30 TYR HD 30 TYR HB+ 3.50 (# 776:25 Unique 2.41, 3.09 A)
&rst
ixpk= 776, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 455, 464,
igr2= 451, 452,
&end
#
# 111 ALA HN 110 THR HB 4.50 (# 777:25 Unique 2.18, 3.50 A)
&rst
ixpk= 777, nxpk= 25, iat=1670,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 THR HN 110 THR HB 4.50 (# 778:25 Unique 3.38, 3.56 A)
&rst
ixpk= 778, nxpk= 25, iat=1656,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 ASN HN 35 ASN HB+ 4.50 (# 779:25 Unique 2.13, 2.58 A)
&rst
ixpk= 779, nxpk= 25, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 521, 522,
&end
#
# 35 ASN HD2+ 35 ASN HB+ 3.50 (# 780:25 Unique 2.24, 3.32 A)
&rst
ixpk= 780, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 526, 527,
igr2= 521, 522,
&end
#
# 35 ASN HD2- 35 ASN HB+ 5.50 (# 781:25 Unique 2.24, 3.32 A)
&rst
ixpk= 781, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 526, 527,
igr2= 521, 522,
&end
#
# 35 ASN HN 35 ASN HB- 4.50 (# 782:25 Unique 2.13, 2.58 A)
&rst
ixpk= 782, nxpk= 25, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 521, 522,
&end
#
# 35 ASN HD2+ 35 ASN HB- 3.50 (# 783:25 Unique 2.24, 3.32 A)
&rst
ixpk= 783, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 526, 527,
igr2= 521, 522,
&end
#
# 43 GLN HN 42 THR HB 3.50 (# 784:25 Unique 2.47, 2.69 A)
&rst
ixpk= 784, nxpk= 25, iat= 662, 652, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 THR HN 42 THR HB 3.50 (# 785:25 Unique 2.45, 2.51 A)
&rst
ixpk= 785, nxpk= 25, iat= 648, 652, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 LEU HN 6 GLU HG+ 5.50 (# 786:25 Unique 3.78, 4.74 A)
&rst
ixpk= 786, nxpk= 25, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 88, 89,
&end
#
# 6 GLU HN 6 GLU HG+ 4.50 (# 787:25 Unique 2.20, 3.31 A)
&rst
ixpk= 787, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 88, 89,
&end
#
# 6 GLU HN 6 GLU HG- 4.50 (# 788:25 Unique 2.20, 3.31 A)
&rst
ixpk= 788, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 88, 89,
&end
#
# 85 ILE HN 85 ILE HB 4.50 (# 789:25 Unique 2.35, 2.55 A)
&rst
ixpk= 789, nxpk= 25, iat=1281,1285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 GLY HN 85 ILE HB 4.50 (# 790:25 Unique 2.49, 2.58 A)
&rst
ixpk= 790, nxpk= 25, iat=1300,1285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:791 90 THR HB 3.50 (# 791:25 Single Ambig)
&rst
ixpk= 791, nxpk= 25, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1307,1337,
&end
#
# 91 VAL HN 90 THR HB 4.50 (# 792:25 Unique 2.44, 2.48 A)
&rst
ixpk= 792, nxpk= 25, iat=1351,1341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 ASN HN 98 ASN HB+ 4.50 (# 793:25 Unique 2.98, 3.36 A)
&rst
ixpk= 793, nxpk= 25, iat=1478, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1482,1483,
&end
#
# 98 ASN HD2+ 98 ASN HB+ 4.50 (# 794:25 Unique 2.28, 3.30 A)
&rst
ixpk= 794, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1487,1488,
igr2=1482,1483,
&end
#
# 98 ASN HD2- 98 ASN HB+ 5.50 (# 795:25 Unique 2.28, 3.30 A)
&rst
ixpk= 795, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1487,1488,
igr2=1482,1483,
&end
#
# 99 GLU HN 98 ASN HB+ 5.50 (# 796:25 Unique 4.29, 4.50 A)
&rst
ixpk= 796, nxpk= 25, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1482,1483,
&end
#
# 98 ASN HN 98 ASN HB- 4.50 (# 797:25 Unique 2.98, 3.36 A)
&rst
ixpk= 797, nxpk= 25, iat=1478, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1482,1483,
&end
#
# 98 ASN HD2+ 98 ASN HB- 4.50 (# 798:25 Unique 2.28, 3.30 A)
&rst
ixpk= 798, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1487,1488,
igr2=1482,1483,
&end
#
# 98 ASN HD2- 98 ASN HB- 4.50 (# 799:25 Unique 2.28, 3.30 A)
&rst
ixpk= 799, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1487,1488,
igr2=1482,1483,
&end
#
# 0 AMB 25-2:800 0 AMB 25-1:800 3.50 (# 800:25 Double Ambig)
&rst
ixpk= 800, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1398,1383,
igr2=1390,1391,1390,1391,
&end
#
# 97 ARG HE 93 GLU HG- 4.50 (# 801:25 Unique 2.02, 4.28 A)
&rst
ixpk= 801, nxpk= 25, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1390,1391,
&end
#
# 55 GLU HN 55 GLU HG- 4.50 (# 802:25 Unique 2.36, 3.76 A)
&rst
ixpk= 802, nxpk= 25, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 851, 852,
&end
#
# 17 LEU HN 16 GLU HG- 5.50 (# 803:25 Unique 3.66, 4.46 A)
&rst
ixpk= 803, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 249, 250,
&end
#
# 16 GLU HN 16 GLU HG- 4.50 (# 804:25 Unique 2.37, 3.80 A)
&rst
ixpk= 804, nxpk= 25, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 249, 250,
&end
#
# 0 AMB 25-2:805 93 GLU HG- 3.50 (# 805:25 Single Ambig)
&rst
ixpk= 805, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1398,1383,
igr2=1390,1391,
&end
#
# 17 LEU HN 16 GLU HG+ 5.50 (# 806:25 Unique 3.66, 4.46 A)
&rst
ixpk= 806, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 249, 250,
&end
#
# 16 GLU HN 16 GLU HG+ 4.50 (# 807:25 Unique 2.37, 3.80 A)
&rst
ixpk= 807, nxpk= 25, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 249, 250,
&end
#
# 99 GLU HN 99 GLU QG 4.50 (# 808:25 Unique 2.78, 4.42 A)
&rst
ixpk= 808, nxpk= 25, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1499,1500,
&end
#
# 91 VAL HN 91 VAL HA 4.50 (# 809:25 Unique 2.88, 2.89 A)
&rst
ixpk= 809, nxpk= 25, iat=1351,1353, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 VAL HN 24 VAL HB 4.50 (# 810:25 Unique 2.82, 2.87 A)
&rst
ixpk= 810, nxpk= 25, iat= 348, 352, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:811 91 VAL HA 4.50 (# 811:25 Single Ambig)
&rst
ixpk= 811, nxpk= 25, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1398,1420,1367,
&end
#
# 49 LYS HN 49 LYS HB+ 4.50 (# 812:25 Unique 2.43, 2.79 A)
&rst
ixpk= 812, nxpk= 25, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 748, 749,
&end
#
# 49 LYS HN 49 LYS HB- 4.50 (# 813:25 Unique 2.43, 2.79 A)
&rst
ixpk= 813, nxpk= 25, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 748, 749,
&end
#
# 43 GLN HN 42 THR HA 5.50 (# 814:25 Unique 3.59, 3.61 A)
&rst
ixpk= 814, nxpk= 25, iat= 662, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 THR HN 42 THR HA 3.50 (# 815:25 Unique 2.82, 2.84 A)
&rst
ixpk= 815, nxpk= 25, iat= 648, 650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 ALA HN 42 THR HA 5.50 (# 816:25 Unique 3.57, 3.77 A)
&rst
ixpk= 816, nxpk= 25, iat= 702, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:817 42 THR HA 4.50 (# 817:25 Single Ambig)
&rst
ixpk= 817, nxpk= 25, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 695, 679,
&end
#
# 48 TYR HE 42 THR HA 4.50 (# 818:25 Unique 2.59, 4.88 A)
&rst
ixpk= 818, nxpk= 25, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 733, 738,
&end
#
# 0 AMB 25-2:819 92 VAL HA 3.50 (# 819:25 Single Ambig)
&rst
ixpk= 819, nxpk= 25, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1367,1420,1383,
&end
#
# 106 ASP HN 102 PRO HA 5.50 (# 820:25 Unique 3.77, 3.98 A)
&rst
ixpk= 820, nxpk= 25, iat=1614,1555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:821 37 VAL HA 4.50 (# 821:25 Single Ambig)
&rst
ixpk= 821, nxpk= 25, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 571, 629, 593,
&end
#
# 40 LEU HN 37 VAL HA 4.50 (# 822:25 Unique 3.23, 3.35 A)
&rst
ixpk= 822, nxpk= 25, iat= 610, 557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 VAL HN 37 VAL HA 4.50 (# 823:25 Unique 2.85, 2.86 A)
&rst
ixpk= 823, nxpk= 25, iat= 555, 557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLN HN 61 GLN HG- 3.50 (# 824:25 Unique 2.08, 2.94 A)
&rst
ixpk= 824, nxpk= 25, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 926, 927,
&end
#
# 61 GLN HE2- 61 GLN HG- 5.50 (# 825:25 Unique 2.23, 3.47 A)
&rst
ixpk= 825, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 931, 932,
igr2= 926, 927,
&end
#
# 61 GLN HN 61 GLN HG+ 3.50 (# 826:25 Unique 2.08, 2.94 A)
&rst
ixpk= 826, nxpk= 25, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 926, 927,
&end
#
# 49 LYS HN 23 VAL HB 5.50 (# 827:25 Unique 3.54, 3.63 A)
&rst
ixpk= 827, nxpk= 25, iat= 744, 336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 GLN HN 102 PRO HA 5.50 (# 828:25 Unique 3.16, 3.48 A)
&rst
ixpk= 828, nxpk= 25, iat=1597,1555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:829 102 PRO HA 5.50 (# 829:25 Single Ambig)
&rst
ixpk= 829, nxpk= 25, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1609,1610,1559,
&end
#
# 0 AMB 25-2:830 90 THR HA 4.50 (# 830:25 Single Ambig)
&rst
ixpk= 830, nxpk= 25, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1383,1398,1367,
&end
#
# 90 THR HN 90 THR HA 4.50 (# 831:25 Unique 2.82, 2.83 A)
&rst
ixpk= 831, nxpk= 25, iat=1337,1339, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 GLN HE2+ 96 GLN HG- 5.50 (# 832:25 Unique 2.24, 3.30 A)
&rst
ixpk= 832, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1449,1450,
igr2=1444,1445,
&end
#
# 96 GLN HN 96 GLN HG+ 3.50 (# 833:25 Unique 2.27, 3.03 A)
&rst
ixpk= 833, nxpk= 25, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1444,1445,
&end
#
# 0 AMB 25-2:834 0 AMB 25-1:834 4.50 (# 834:25 Double Ambig)
&rst
ixpk= 834, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1702, 64,
igr2=1604,1605, 71, 72,
&end
#
# 0 AMB 25-2:835 0 AMB 25-1:835 3.50 (# 835:25 Double Ambig)
&rst
ixpk= 835, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1609,1610, 931, 932,
igr2=1604,1605, 926, 927,
&end
#
# 0 AMB 25-2:836 0 AMB 25-1:836 4.50 (# 836:25 Double Ambig)
&rst
ixpk= 836, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 972,1757,
igr2= 962, 963,1604,1605,
&end
#
# 63 GLN HE2+ 63 GLN QG 4.50 (# 837:25 Unique 2.23, 3.26 A)
&rst
ixpk= 837, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 967, 968,
igr2= 962, 963,
&end
#
# 23 VAL HN 23 VAL HB 4.50 (# 839:25 Unique 2.79, 2.83 A)
&rst
ixpk= 839, nxpk= 25, iat= 332, 336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 VAL HN 25 VAL HB 4.50 (# 840:25 Unique 2.51, 2.67 A)
&rst
ixpk= 840, nxpk= 25, iat= 364, 368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 GLN HN 96 GLN HG- 3.50 (# 841:25 Unique 2.27, 3.03 A)
&rst
ixpk= 841, nxpk= 25, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1444,1445,
&end
#
# 0 AMB 25-2:842 96 GLN HG- 5.50 (# 842:25 Single Ambig)
&rst
ixpk= 842, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1420,1383,1398,
igr2=1444,1445,
&end
#
# 0 AMB 25-2:843 96 GLN HG- 4.50 (# 843:25 Single Ambig)
&rst
ixpk= 843, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1449,1450,1454,
igr2=1444,1445,
&end
#
# 43 GLN HN 43 GLN HG- 3.50 (# 844:25 Unique 2.52, 3.21 A)
&rst
ixpk= 844, nxpk= 25, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 669, 670,
&end
#
# 0 AMB 25-2:845 0 AMB 25-1:845 4.50 (# 845:25 Double Ambig)
&rst
ixpk= 845, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 610, 679,
igr2= 669, 670, 600, 601,
&end
#
# 0 AMB 25-2:846 0 AMB 25-1:846 3.50 (# 846:25 Double Ambig)
&rst
ixpk= 846, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 605, 606, 674, 675,
igr2= 600, 601, 669, 670,
&end
#
# 105 GLN HN 105 GLN HG- 4.50 (# 847:25 Unique 2.27, 3.01 A)
&rst
ixpk= 847, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1604,1605,
&end
#
# 0 AMB 25-2:848 0 AMB 25-1:848 4.50 (# 848:25 Double Ambig)
&rst
ixpk= 848, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 81,1670,
igr2= 71, 72,1604,1605,
&end
#
# 0 AMB 25-2:849 0 AMB 25-1:849 3.50 (# 849:25 Double Ambig)
&rst
ixpk= 849, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1609,1610,1454,
igr2=1604,1605,1444,1445,
&end
#
# 0 AMB 25-2:850 0 AMB 25-1:850 4.50 (# 850:25 Double Ambig)
&rst
ixpk= 850, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1609,1610,1449,1450,
igr2=1604,1605,1444,1445,
&end
#
# 105 GLN HN 105 GLN HG+ 3.50 (# 851:25 Unique 2.27, 3.01 A)
&rst
ixpk= 851, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1604,1605,
&end
#
# 0 AMB 25-2:852 0 AMB 25-1:852 5.50 (# 852:25 Double Ambig)
&rst
ixpk= 852, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1012, 648,
igr2= 962, 963, 669, 670,
&end
#
# 43 GLN HN 43 GLN HG+ 4.50 (# 853:25 Unique 2.52, 3.21 A)
&rst
ixpk= 853, nxpk= 25, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 669, 670,
&end
#
# 0 AMB 25-2:854 0 AMB 25-1:854 4.50 (# 854:25 Double Ambig)
&rst
ixpk= 854, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1609,1610, 967, 968,
igr2=1604,1605, 962, 963,
&end
#
# 40 LEU HN 39 GLN HG- 4.50 (# 855:25 Unique 4.40, 4.87 A)
&rst
ixpk= 855, nxpk= 25, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 600, 601,
&end
#
# 0 AMB 25-2:857 22 PRO HA 5.50 (# 857:25 Single Ambig)
&rst
ixpk= 857, nxpk= 25, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 332, 308,
&end
#
# 27 SER HN 27 SER HB+ 5.50 (# 858:25 Unique 2.58, 3.42 A)
&rst
ixpk= 858, nxpk= 25, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 404, 405,
&end
#
# 27 SER HN 27 SER HB- 5.50 (# 859:25 Unique 2.58, 3.42 A)
&rst
ixpk= 859, nxpk= 25, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 404, 405,
&end
#
# 39 GLN HN 39 GLN HG+ 3.50 (# 860:25 Unique 2.20, 3.06 A)
&rst
ixpk= 860, nxpk= 25, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 600, 601,
&end
#
# 0 AMB 25-2:861 0 AMB 25-1:861 4.50 (# 861:25 Double Ambig)
&rst
ixpk= 861, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 605, 606, 674, 675,
igr2= 600, 601, 669, 670,
&end
#
# 39 GLN HN 39 GLN HG- 3.50 (# 862:25 Unique 2.20, 3.06 A)
&rst
ixpk= 862, nxpk= 25, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 600, 601,
&end
#
# 0 AMB 25-2:863 50 VAL HB 5.50 (# 863:25 Single Ambig)
&rst
ixpk= 863, nxpk= 25, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 731, 740, 733, 738,
&end
#
# 50 VAL HN 50 VAL HB 3.50 (# 864:25 Unique 2.67, 2.97 A)
&rst
ixpk= 864, nxpk= 25, iat= 766, 770, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:865 50 VAL HB 4.50 (# 865:25 Single Ambig)
&rst
ixpk= 865, nxpk= 25, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 782, 798,
&end
#
# 0 AMB 25-2:866 83 LYS QB 4.50 (# 866:25 Single Ambig)
&rst
ixpk= 866, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1264,1209,
igr2=1246,1247,
&end
#
# 83 LYS HN 83 LYS QB 3.50 (# 867:25 Unique 2.47, 3.02 A)
&rst
ixpk= 867, nxpk= 25, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1246,1247,
&end
#
# 29 THR HN 29 THR HA 4.50 (# 868:25 Unique 2.77, 2.82 A)
&rst
ixpk= 868, nxpk= 25, iat= 433, 435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 VAL HN 78 VAL HB 4.50 (# 869:25 Unique 2.59, 2.69 A)
&rst
ixpk= 869, nxpk= 25, iat=1173,1177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 GLY HN 78 VAL HB 5.50 (# 870:25 Unique 3.04, 3.24 A)
&rst
ixpk= 870, nxpk= 25, iat=1300,1177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 ASN HN 112 LYS HB+ 5.50 (# 871:25 Unique 2.37, 3.63 A)
&rst
ixpk= 871, nxpk= 25, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1684,1685,
&end
#
# 84 GLN HE2- 84 GLN HG- 5.50 (# 872:25 Unique 2.18, 3.16 A)
&rst
ixpk= 872, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1276,1277,
igr2=1271,1272,
&end
#
# 0 AMB 25-2:873 0 AMB 25-1:873 4.50 (# 873:25 Double Ambig)
&rst
ixpk= 873, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1276,1277,1300,
igr2=1271,1272,1271,1272,
&end
#
# 0 AMB 25-2:874 0 AMB 25-1:874 4.50 (# 874:25 Double Ambig)
&rst
ixpk= 874, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 593, 571,
igr2= 575, 576, 575, 576,
&end
#
# 0 AMB 25-2:875 38 LYS HB- 4.50 (# 875:25 Single Ambig)
&rst
ixpk= 875, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 593, 571,
igr2= 575, 576,
&end
#
# 112 LYS HN 112 LYS HB+ 3.50 (# 876:25 Unique 2.26, 2.97 A)
&rst
ixpk= 876, nxpk= 25, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1684,1685,
&end
#
# 84 GLN HN 84 GLN HG- 4.50 (# 877:25 Unique 2.43, 4.31 A)
&rst
ixpk= 877, nxpk= 25, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1271,1272,
&end
#
# 0 AMB 25-2:878 84 GLN HG- 4.50 (# 878:25 Single Ambig)
&rst
ixpk= 878, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1276,1277,1300,
igr2=1271,1272,
&end
#
# 105 GLN HE2- 112 LYS HB- 5.50 (# 879:25 Unique 1.93, 4.63 A)
&rst
ixpk= 879, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1609,1610,
igr2=1684,1685,
&end
#
# 112 LYS HN 112 LYS HB- 4.50 (# 880:25 Unique 2.26, 2.97 A)
&rst
ixpk= 880, nxpk= 25, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1684,1685,
&end
#
# 26 PHE HD 51 VAL HB 4.50 (# 881:25 Unique 2.41, 4.03 A)
&rst
ixpk= 881, nxpk= 25, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 388, 396,
&end
#
# 85 ILE HN 84 GLN HG+ 4.50 (# 882:25 Unique 2.19, 3.76 A)
&rst
ixpk= 882, nxpk= 25, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1271,1272,
&end
#
# 84 GLN HN 84 GLN HG+ 4.50 (# 883:25 Unique 2.43, 4.31 A)
&rst
ixpk= 883, nxpk= 25, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1271,1272,
&end
#
# 84 GLN HE2- 84 GLN HG+ 5.50 (# 884:25 Unique 2.18, 3.16 A)
&rst
ixpk= 884, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1276,1277,
igr2=1271,1272,
&end
#
# 4 LYS HN 3 SER HB- 5.50 (# 885:25 Unique 2.62, 3.41 A)
&rst
ixpk= 885, nxpk= 25, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 35, 36,
&end
#
# 5 GLN HN 3 SER HB- 5.50 (# 886:25 Unique 2.73, 4.57 A)
&rst
ixpk= 886, nxpk= 25, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 35, 36,
&end
#
# 5 GLN HN 3 SER HB+ 5.50 (# 887:25 Unique 2.73, 4.57 A)
&rst
ixpk= 887, nxpk= 25, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 35, 36,
&end
#
# 4 LYS HN 3 SER HB+ 5.50 (# 888:25 Unique 2.62, 3.41 A)
&rst
ixpk= 888, nxpk= 25, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 35, 36,
&end
#
# 52 GLU HN 52 GLU QG 4.50 (# 889:25 Unique 2.34, 3.19 A)
&rst
ixpk= 889, nxpk= 25, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 805, 806,
&end
#
# 51 VAL HN 51 VAL HB 4.50 (# 890:25 Unique 2.64, 2.84 A)
&rst
ixpk= 890, nxpk= 25, iat= 782, 786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 LYS HN 13 LYS HB+ 3.50 (# 891:25 Unique 2.37, 2.52 A)
&rst
ixpk= 891, nxpk= 25, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 192, 193,
&end
#
# 0 AMB 25-2:892 0 AMB 25-1:892 5.50 (# 892:25 Double Ambig)
&rst
ixpk= 892, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 242, 220,
igr2= 170, 171, 192, 193,
&end
#
# 13 LYS HN 12 LYS QB 3.50 (# 893:25 Unique 2.55, 3.25 A)
&rst
ixpk= 893, nxpk= 25, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 170, 171,
&end
#
# 4 LYS HN 4 LYS HB- 3.50 (# 894:25 Unique 2.34, 2.74 A)
&rst
ixpk= 894, nxpk= 25, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 46, 47,
&end
#
# 12 LYS HN 12 LYS QB 2.50 (# 895:25 Unique 2.30, 2.62 A)
&rst
ixpk= 895, nxpk= 25, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 170, 171,
&end
#
# 34 CYS HN 34 CYS HA 5.50 (# 896:25 Unique 2.85, 2.90 A)
&rst
ixpk= 896, nxpk= 25, iat= 506, 508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 VAL HN 22 PRO HB+ 5.50 (# 897:25 Unique 3.76, 4.18 A)
&rst
ixpk= 897, nxpk= 25, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 325, 326,
&end
#
# 23 VAL HN 22 PRO HB- 4.50 (# 898:25 Unique 3.76, 4.18 A)
&rst
ixpk= 898, nxpk= 25, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 325, 326,
&end
#
# 0 AMB 25-2:899 0 AMB 25-1:899 3.50 (# 899:25 Double Ambig)
&rst
ixpk= 899, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1398,1420,
igr2=1402,1403,1402,1403,
&end
#
# 5 GLN HN 4 LYS HB+ 4.50 (# 900:25 Unique 2.68, 3.51 A)
&rst
ixpk= 900, nxpk= 25, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 46, 47,
&end
#
# 4 LYS HN 4 LYS HB+ 3.50 (# 901:25 Unique 2.34, 2.74 A)
&rst
ixpk= 901, nxpk= 25, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 46, 47,
&end
#
# 5 GLN HN 4 LYS HB- 4.50 (# 902:25 Unique 2.68, 3.51 A)
&rst
ixpk= 902, nxpk= 25, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 46, 47,
&end
#
# 0 AMB 25-2:903 0 AMB 25-1:903 5.50 (# 903:25 Double Ambig)
&rst
ixpk= 903, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 81, 127, 137,
igr2= 46, 47, 170, 171,
&end
#
# 94 LYS HN 94 LYS HB- 4.50 (# 904:25 Unique 2.40, 3.02 A)
&rst
ixpk= 904, nxpk= 25, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1402,1403,
&end
#
# 0 AMB 25-2:905 0 AMB 25-1:905 3.50 (# 905:25 Double Ambig)
&rst
ixpk= 905, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 220, 242,1507,
igr2= 224, 225,1402,1403,
&end
#
# 19 SER HN 19 SER HB+ 4.50 (# 906:25 Unique 2.51, 3.19 A)
&rst
ixpk= 906, nxpk= 25, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 290, 291,
&end
#
# 20 SER HN 19 SER HB- 5.50 (# 907:25 Unique 3.23, 4.06 A)
&rst
ixpk= 907, nxpk= 25, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 290, 291,
&end
#
# 19 SER HN 19 SER HB- 4.50 (# 908:25 Unique 2.51, 3.19 A)
&rst
ixpk= 908, nxpk= 25, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 290, 291,
&end
#
# 99 GLU HN 99 GLU HB+ 4.50 (# 909:25 Unique 2.29, 2.69 A)
&rst
ixpk= 909, nxpk= 25, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1496,1497,
&end
#
# 99 GLU HN 99 GLU HB- 4.50 (# 910:25 Unique 2.29, 2.69 A)
&rst
ixpk= 910, nxpk= 25, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1496,1497,
&end
#
# 77 ASN HN 75 VAL HB 5.50 (# 911:25 Unique 4.11, 4.38 A)
&rst
ixpk= 911, nxpk= 25, iat=1159,1133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:912 92 VAL HB 3.50 (# 912:25 Single Ambig)
&rst
ixpk= 912, nxpk= 25, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1367,1383,
&end
#
# 20 SER HN 20 SER HB+ 5.50 (# 913:25 Unique 2.36, 2.99 A)
&rst
ixpk= 913, nxpk= 25, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 301, 302,
&end
#
# 20 SER HN 20 SER HB- 4.50 (# 914:25 Unique 2.36, 2.99 A)
&rst
ixpk= 914, nxpk= 25, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 301, 302,
&end
#
# 47 SER HN 47 SER HB+ 3.50 (# 915:25 Unique 2.44, 3.07 A)
&rst
ixpk= 915, nxpk= 25, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 716, 717,
&end
#
# 48 TYR HD 47 SER HB- 5.50 (# 916:25 Unique 5.49, 7.02 A)
&rst
ixpk= 916, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 731, 740,
igr2= 716, 717,
&end
#
# 47 SER HN 47 SER HB- 3.50 (# 917:25 Unique 2.44, 3.07 A)
&rst
ixpk= 917, nxpk= 25, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 716, 717,
&end
#
# 48 TYR HN 47 SER HB- 4.50 (# 918:25 Unique 3.09, 3.89 A)
&rst
ixpk= 918, nxpk= 25, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 716, 717,
&end
#
# 0 AMB 25-2:919 91 VAL HB 4.50 (# 919:25 Single Ambig)
&rst
ixpk= 919, nxpk= 25, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1367,1420,1398,
&end
#
# 38 LYS HN 37 VAL HB 4.50 (# 920:25 Unique 2.52, 2.62 A)
&rst
ixpk= 920, nxpk= 25, iat= 571, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 VAL HN 37 VAL HB 2.50 (# 921:25 Unique 2.36, 2.44 A)
&rst
ixpk= 921, nxpk= 25, iat= 555, 559, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 25-2:922 0 AMB 25-1:922 4.50 (# 922:25 Double Ambig)
&rst
ixpk= 922, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1168,1169,1084,
igr2=1088,1089,1088,1089,
&end
#
# 0 AMB 25-2:923 72 ARG HB- 4.50 (# 923:25 Single Ambig)
&rst
ixpk= 923, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1168,1169,1084,
igr2=1088,1089,
&end
#
# 115 ALA HN 114 PRO HA 3.50 (# 924:25 Unique 2.49, 3.41 A)
&rst
ixpk= 924, nxpk= 25, iat=1730,1726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 GLN HN 95 HIS HB+ 5.50 (# 925:25 Unique 2.51, 3.29 A)
&rst
ixpk= 925, nxpk= 25, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1424,1425,
&end
#
# 44 VAL HN 44 VAL HB 4.50 (# 926:25 Unique 2.37, 3.42 A)
&rst
ixpk= 926, nxpk= 25, iat= 679, 683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:927 38 LYS HD- 5.50 (# 927:25 Single Ambig)
&rst
ixpk= 927, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 571, 593,
igr2= 581, 582,
&end
#
# 0 AMB 25-2:928 0 AMB 25-1:928 5.50 (# 928:25 Double Ambig)
&rst
ixpk= 928, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 571, 593,
igr2= 581, 582, 581, 582,
&end
#
# 69 TRP HE3 69 TRP HB+ 5.50 (# 930:25 Unique 2.47, 2.97 A)
&rst
ixpk= 930, nxpk= 25, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1043,1044,
&end
#
# 96 GLN HN 95 HIS HB- 5.50 (# 931:25 Unique 2.51, 3.29 A)
&rst
ixpk= 931, nxpk= 25, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1424,1425,
&end
#
# 69 TRP HN 69 TRP HB+ 5.50 (# 932:25 Unique 2.23, 2.40 A)
&rst
ixpk= 932, nxpk= 25, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1043,1044,
&end
#
# 103 LEU HN 102 PRO HB+ 5.50 (# 933:25 Unique 2.45, 3.36 A)
&rst
ixpk= 933, nxpk= 25, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1552,1553,
&end
#
# 103 LEU HN 102 PRO HB- 5.50 (# 934:25 Unique 2.45, 3.36 A)
&rst
ixpk= 934, nxpk= 25, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1552,1553,
&end
#
# 0 AMB 25-2:936 0 AMB 25-1:936 5.50 (# 936:25 Double Ambig)
&rst
ixpk= 936, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 105, 106, 107, 109, 110, 111, 105, 106, 107, 109,
110, 111,
igr2= 976, 977, 976, 977,
&end
#
# 0 AMB 25-2:937 0 AMB 25-1:937 4.50 (# 937:25 Double Ambig)
&rst
ixpk= 937, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 987, 988, 989,1016,1017,1018,
igr2= 976, 977, 976, 977,
&end
#
# 7 LEU MDY 64 SER HB- 5.50 (# 938:25 Unique 2.66, 4.74 A)
&rst
ixpk= 938, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 105, 106, 107, 109, 110, 111,
igr2= 976, 977,
&end
#
# 64 SER HA 64 SER HB- 2.50 (# 939:25 Unique 2.42, 2.75 A)
&rst
ixpk= 939, nxpk= 25, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 976, 977,
&end
#
# 0 AMB 25-2:940 64 SER HB- 4.50 (# 940:25 Single Ambig)
&rst
ixpk= 940, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 987, 988, 989,1016,1017,1018,
igr2= 976, 977,
&end
#
# 88 CYS HB+ 88 CYS HA 4.50 (# 941:25 Unique 2.35, 2.57 A)
&rst
ixpk= 941, nxpk= 25, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1318,1319,
&end
#
# 88 CYS HB- 88 CYS HA 4.50 (# 942:25 Unique 2.35, 2.57 A)
&rst
ixpk= 942, nxpk= 25, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1318,1319,
&end
#
# 0 AMB 25-2:943 88 CYS HA 5.50 (# 943:25 Single Ambig)
&rst
ixpk= 943, nxpk= 25, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 559,1355,
&end
#
# 0 AMB 25-2:944 88 CYS HA 5.50 (# 944:25 Single Ambig)
&rst
ixpk= 944, nxpk= 25, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1149,1150,1152,1153,
&end
#
# 37 VAL MGY 88 CYS HA 3.50 (# 945:25 Unique 2.14, 3.77 A)
&rst
ixpk= 945, nxpk= 25, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 561, 562, 563, 565, 566, 567,
&end
#
# 52 GLU HB- 55 GLU HB+ 5.50 (# 946:25 Unique 2.51, 4.45 A)
&rst
ixpk= 946, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 802, 803,
igr2= 848, 849,
&end
#
# 57 SER HA 57 SER QB 2.50 (# 949:25 Unique 2.30, 2.70 A)
&rst
ixpk= 949, nxpk= 25, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 882, 883,
&end
#
# 63 GLN HB+ 60 SER HA 4.50 (# 950:25 Unique 2.33, 3.16 A)
&rst
ixpk= 950, nxpk= 25, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 959, 960,
&end
#
# 0 AMB 25-2:951 88 CYS HA 4.50 (# 951:25 Single Ambig)
&rst
ixpk= 951, nxpk= 25, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
1362,1363,1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 25-2:953 0 AMB 25-1:953 5.50 (# 953:25 Double Ambig)
&rst
ixpk= 953, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1016,1017,1018, 987, 988, 989,
igr2=1026,1027,1026,1027,
&end
#
# 68 HIS HA 68 HIS HB- 3.50 (# 954:25 Unique 2.29, 2.66 A)
&rst
ixpk= 954, nxpk= 25, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1026,1027,
&end
#
# 0 AMB 25-2:955 68 HIS HB- 5.50 (# 955:25 Single Ambig)
&rst
ixpk= 955, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1016,1017,1018, 987, 988, 989,
igr2=1026,1027,
&end
#
# 11 LEU MDX 68 HIS HB- 5.50 (# 956:25 Unique 4.50, 7.62 A)
&rst
ixpk= 956, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 156, 157, 158, 160, 161, 162,
igr2=1026,1027,
&end
#
# 7 LEU MDX 68 HIS HB- 5.50 (# 957:25 Unique 2.50, 4.16 A)
&rst
ixpk= 957, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 105, 106, 107, 109, 110, 111,
igr2=1026,1027,
&end
#
# 60 SER QB 60 SER HA 2.50 (# 959:25 Unique 2.39, 2.72 A)
&rst
ixpk= 959, nxpk= 25, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 912, 913,
&end
#
# 68 HIS HA 68 HIS HB+ 3.50 (# 960:25 Unique 2.29, 2.66 A)
&rst
ixpk= 960, nxpk= 25, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1026,1027,
&end
#
# 17 LEU HG 13 LYS HD- 5.50 (# 963:25 Unique 2.71, 4.69 A)
&rst
ixpk= 963, nxpk= 25, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 198, 199,
&end
#
# 60 SER HA 60 SER QB 3.50 (# 965:25 Unique 2.39, 2.72 A)
&rst
ixpk= 965, nxpk= 25, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 912, 913,
&end
#
# 63 GLN HB+ 64 SER HA 5.50 (# 966:25 Unique 3.93, 5.03 A)
&rst
ixpk= 966, nxpk= 25, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 959, 960,
&end
#
# 70 THR MG2 70 THR HA 3.50 (# 967:25 Unique 2.45, 3.16 A)
&rst
ixpk= 967, nxpk= 25, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1069,1070,1071,
&end
#
# 0 AMB 25-2:969 0 AMB 25-1:969 3.50 (# 969:25 Double Ambig)
&rst
ixpk= 969, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 538, 539, 198, 199,
igr2= 535, 536, 246, 247,
&end
#
# 0 AMB 25-2:970 0 AMB 25-1:970 3.50 (# 970:25 Double Ambig)
&rst
ixpk= 970, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 538, 539, 195, 196,
igr2= 535, 536, 246, 247,
&end
#
# 33 TYR HA 36 ARG HB- 5.50 (# 971:25 Unique 2.28, 2.84 A)
&rst
ixpk= 971, nxpk= 25, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 535, 536,
&end
#
# 33 TYR HA 36 ARG HB+ 4.50 (# 972:25 Unique 2.28, 2.84 A)
&rst
ixpk= 972, nxpk= 25, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 535, 536,
&end
#
# 6 GLU HA 6 GLU HB+ 3.50 (# 973:25 Unique 2.44, 2.77 A)
&rst
ixpk= 973, nxpk= 25, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 85, 86,
&end
#
# 0 AMB 25-2:974 0 AMB 25-1:974 2.50 (# 974:25 Double Ambig)
&rst
ixpk= 974, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 88, 89,1747,1748,
igr2= 85, 86,1744,1745,
&end
#
# 28 LYS HE- 28 LYS HD- 4.50 (# 975:25 Unique 2.36, 2.72 A)
&rst
ixpk= 975, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 424, 425,
igr2= 421, 422,
&end
#
# 0 AMB 25-2:977 28 LYS HD- 4.50 (# 977:25 Single Ambig)
&rst
ixpk= 977, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 415, 416, 415, 416,
igr2= 421, 422,
&end
#
# 75 VAL MGX 28 LYS HD- 4.50 (# 978:25 Unique 2.29, 4.99 A)
&rst
ixpk= 978, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1135,1136,1137,1139,1140,1141,
igr2= 421, 422,
&end
#
# 13 LYS HA 13 LYS HD- 5.50 (# 979:25 Unique 2.14, 3.83 A)
&rst
ixpk= 979, nxpk= 25, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 198, 199,
&end
#
# 13 LYS QE 13 LYS HD- 3.50 (# 980:25 Unique 2.37, 2.73 A)
&rst
ixpk= 980, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 201, 202,
igr2= 198, 199,
&end
#
# 13 LYS HG- 13 LYS HD- 3.50 (# 982:25 Unique 2.26, 2.72 A)
&rst
ixpk= 982, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 195, 196,
igr2= 198, 199,
&end
#
# 13 LYS HG+ 13 LYS HD- 3.50 (# 983:25 Unique 2.26, 2.72 A)
&rst
ixpk= 983, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 195, 196,
igr2= 198, 199,
&end
#
# 0 AMB 25-2:984 13 LYS HD- 3.50 (# 984:25 Single Ambig)
&rst
ixpk= 984, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 945, 946, 947, 949, 950, 951, 266, 267, 268, 270,
271, 272, 868, 869, 870, 872, 873, 874,
igr2= 198, 199,
&end
#
# 13 LYS HG+ 13 LYS HD+ 3.50 (# 986:25 Unique 2.26, 2.72 A)
&rst
ixpk= 986, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 195, 196,
igr2= 198, 199,
&end
#
# 0 AMB 25-2:987 0 AMB 25-1:987 3.50 (# 987:25 Double Ambig)
&rst
ixpk= 987, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 945, 946, 947, 949, 950, 951, 266, 267, 268, 270,
271, 272, 868, 869, 870, 872, 873, 874,
igr2= 198, 199, 198, 199, 198, 199,
&end
#
# 13 LYS HA 13 LYS HD+ 5.50 (# 989:25 Unique 2.14, 3.83 A)
&rst
ixpk= 989, nxpk= 25, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 198, 199,
&end
#
# 24 VAL MGX 49 LYS QD 4.50 (# 991:25 Unique 2.39, 4.47 A)
&rst
ixpk= 991, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 354, 355, 356, 358, 359, 360,
igr2= 754, 755,
&end
#
# 0 AMB 25-2:993 33 TYR HA 4.50 (# 993:25 Single Ambig)
&rst
ixpk= 993, nxpk= 25, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 541, 542, 489, 490,
&end
#
# 33 TYR HB- 33 TYR HA 4.50 (# 994:25 Unique 2.48, 2.77 A)
&rst
ixpk= 994, nxpk= 25, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 489, 490,
&end
#
# 36 ARG HB- 33 TYR HA 4.50 (# 995:25 Unique 2.28, 2.84 A)
&rst
ixpk= 995, nxpk= 25, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 535, 536,
&end
#
# 36 ARG HB+ 33 TYR HA 3.50 (# 996:25 Unique 2.28, 2.84 A)
&rst
ixpk= 996, nxpk= 25, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 535, 536,
&end
#
# 0 AMB 25-2:997 0 AMB 25-1:997 4.50 (# 997:25 Double Ambig)
&rst
ixpk= 997, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 538, 539,1650,1651,1652,
igr2= 487,1658,
&end
#
# 0 AMB 25-2:998 0 AMB 25-1:998 3.50 (# 998:25 Double Ambig)
&rst
ixpk= 998, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 959, 960, 923, 924, 666, 667,
igr2= 912, 913, 681,
&end
#
# 0 AMB 25-2:999 0 AMB 25-1:999 2.50 (# 999:25 Double Ambig)
&rst
ixpk= 999, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 683, 926, 927,
igr2= 681, 912, 913,
&end
#
# 44 VAL MGY 44 VAL HA 2.50 (# 1000:25 Unique 2.37, 3.50 A)
&rst
ixpk= 1000, nxpk= 25, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 685, 686, 687, 689, 690, 691,
&end
#
# 67 ALA MB 64 SER HA 3.50 (# 1001:25 Unique 2.63, 3.56 A)
&rst
ixpk= 1001, nxpk= 25, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1016,1017,1018,
&end
#
# 36 ARG HD+ 36 ARG HB- 5.50 (# 1003:25 Unique 2.37, 3.03 A)
&rst
ixpk= 1003, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 541, 542,
igr2= 535, 536,
&end
#
# 36 ARG HD- 36 ARG HB- 5.50 (# 1004:25 Unique 2.37, 3.03 A)
&rst
ixpk= 1004, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 541, 542,
igr2= 535, 536,
&end
#
# 0 AMB 25-2:1005 0 AMB 25-1:1005 2.50 (# 1005:25 Double Ambig)
&rst
ixpk= 1005, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=1390,1391,1747,1748,
igr2=1387,1388,1744,1745,
&end
#
# 116 GLN HA 116 GLN HB+ 4.50 (# 1006:25 Unique 2.37, 2.70 A)
&rst
ixpk= 1006, nxpk= 25, iat=1742, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1744,1745,
&end
#
# 0 AMB 25-2:1008 0 AMB 25-1:1008 5.50 (# 1008:25 Double Ambig)
&rst
ixpk= 1008, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 561, 562, 563, 565, 566, 567,1373,1374,1375,1377,
1378,1379,
igr2= 535, 536, 535, 536,
&end
#
# 36 ARG HD- 36 ARG HB+ 4.50 (# 1009:25 Unique 2.37, 3.03 A)
&rst
ixpk= 1009, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 541, 542,
igr2= 535, 536,
&end
#
# 36 ARG HD+ 36 ARG HB+ 5.50 (# 1010:25 Unique 2.37, 3.03 A)
&rst
ixpk= 1010, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 541, 542,
igr2= 535, 536,
&end
#
# 36 ARG HG- 36 ARG HB+ 3.50 (# 1011:25 Unique 2.36, 2.76 A)
&rst
ixpk= 1011, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 538, 539,
igr2= 535, 536,
&end
#
# 37 VAL MGX 36 ARG HB+ 5.50 (# 1012:25 Unique 3.41, 6.35 A)
&rst
ixpk= 1012, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 561, 562, 563, 565, 566, 567,
igr2= 535, 536,
&end
#
# 116 GLN HA 116 GLN HB- 5.50 (# 1013:25 Unique 2.37, 2.70 A)
&rst
ixpk= 1013, nxpk= 25, iat=1742, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1744,1745,
&end
#
# 12 LYS HA 12 LYS QD 4.50 (# 1015:25 Unique 3.75, 4.51 A)
&rst
ixpk= 1015, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 176, 177,
&end
#
# 12 LYS QB 12 LYS QD 2.50 (# 1016:25 Unique 2.36, 2.90 A)
&rst
ixpk= 1016, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 170, 171,
igr2= 176, 177,
&end
#
# 0 AMB 25-2:1017 12 LYS QD 4.50 (# 1017:25 Single Ambig)
&rst
ixpk= 1017, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 129, 190,
igr2= 176, 177,
&end
#
# 12 LYS QE 12 LYS QD 2.50 (# 1018:25 Unique 2.35, 2.71 A)
&rst
ixpk= 1018, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 179, 180,
igr2= 176, 177,
&end
#
# 12 LYS HG+ 12 LYS QD 2.50 (# 1019:25 Unique 2.37, 2.74 A)
&rst
ixpk= 1019, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 173, 174,
igr2= 176, 177,
&end
#
# 12 LYS HG- 12 LYS QD 2.50 (# 1020:25 Unique 2.37, 2.74 A)
&rst
ixpk= 1020, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 173, 174,
igr2= 176, 177,
&end
#
# 49 LYS HE- 49 LYS QD 2.50 (# 1021:25 Unique 2.32, 2.63 A)
&rst
ixpk= 1021, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 757, 758,
igr2= 754, 755,
&end
#
# 49 LYS HE+ 49 LYS QD 3.50 (# 1022:25 Unique 2.32, 2.63 A)
&rst
ixpk= 1022, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 757, 758,
igr2= 754, 755,
&end
#
# 49 LYS HG+ 49 LYS QD 2.50 (# 1023:25 Unique 2.38, 2.77 A)
&rst
ixpk= 1023, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 751, 752,
igr2= 754, 755,
&end
#
# 17 LEU HB- 49 LYS QD 5.50 (# 1024:25 Unique 3.56, 5.74 A)
&rst
ixpk= 1024, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 261, 262,
igr2= 754, 755,
&end
#
# 51 VAL MGX 49 LYS QD 4.50 (# 1025:25 Unique 2.58, 6.05 A)
&rst
ixpk= 1025, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 788, 789, 790, 792, 793, 794,
igr2= 754, 755,
&end
#
# 85 ILE HG1+ 94 LYS HD+ 5.50 (# 1026:25 Unique 4.42, 6.38 A)
&rst
ixpk= 1026, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1291,1292,
igr2=1408,1409,
&end
#
# 12 LYS QB 15 LYS QD 5.50 (# 1027:25 Unique 4.36, 6.19 A)
&rst
ixpk= 1027, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 170, 171,
igr2= 230, 231,
&end
#
# 12 LYS HA 15 LYS QD 4.50 (# 1028:25 Unique 2.76, 3.80 A)
&rst
ixpk= 1028, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 230, 231,
&end
#
# 15 LYS HE- 15 LYS QD 3.50 (# 1029:25 Unique 2.46, 2.77 A)
&rst
ixpk= 1029, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 233, 234,
igr2= 230, 231,
&end
#
# 15 LYS HE+ 15 LYS QD 3.50 (# 1030:25 Unique 2.46, 2.77 A)
&rst
ixpk= 1030, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 233, 234,
igr2= 230, 231,
&end
#
# 0 AMB 25-2:1031 15 LYS QD 2.50 (# 1031:25 Single Ambig)
&rst
ixpk= 1031, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 224, 225, 154, 173, 174,
igr2= 230, 231,
&end
#
# 15 LYS HG- 15 LYS QD 3.50 (# 1032:25 Unique 2.44, 2.76 A)
&rst
ixpk= 1032, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 227, 228,
igr2= 230, 231,
&end
#
# 15 LYS HG+ 15 LYS QD 3.50 (# 1033:25 Unique 2.44, 2.76 A)
&rst
ixpk= 1033, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 227, 228,
igr2= 230, 231,
&end
#
# 0 AMB 25-2:1034 110 THR HA 5.50 (# 1034:25 Single Ambig)
&rst
ixpk= 1034, nxpk= 25, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1687,1688,1674,1675,1676,1582,1583,
&end
#
# 46 ALA MB 110 THR HA 5.50 (# 1035:25 Unique 4.08, 5.44 A)
&rst
ixpk= 1035, nxpk= 25, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 706, 707, 708,
&end
#
# 110 THR MG2 110 THR HA 3.50 (# 1036:25 Unique 2.37, 3.20 A)
&rst
ixpk= 1036, nxpk= 25, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1662,1663,1664,
&end
#
# 0 AMB 25-2:1037 110 THR HA 5.50 (# 1037:25 Single Ambig)
&rst
ixpk= 1037, nxpk= 25, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1650,1651,1652,1640,1641,1642,
&end
#
# 101 LEU MDX 44 VAL HA 5.50 (# 1038:25 Unique 3.62, 5.60 A)
&rst
ixpk= 1038, nxpk= 25, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1535,1536,1537,1539,1540,1541,
&end
#
# 57 SER QB 57 SER HA 2.50 (# 1039:25 Unique 2.30, 2.70 A)
&rst
ixpk= 1039, nxpk= 25, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 882, 883,
&end
#
# 0 AMB 25-2:1041 0 AMB 25-1:1041 2.50 (# 1041:25 Double Ambig)
&rst
ixpk= 1041, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 190, 533,1385,
igr2= 246, 247, 535, 536,1387,1388,
&end
#
# 0 AMB 25-2:1042 0 AMB 25-1:1042 4.50 (# 1042:25 Double Ambig)
&rst
ixpk= 1042, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1= 264,1373,1374,1375,1377,1378,1379,
igr2= 246, 247,1387,1388, 535, 536,
&end
#
# 0 AMB 25-2:1043 0 AMB 25-1:1043 3.50 (# 1043:25 Double Ambig)
&rst
ixpk= 1043, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 244,1339,
igr2= 246, 247,1387,1388,
&end
#
# 13 LYS HD+ 16 GLU HB+ 5.50 (# 1044:25 Unique 2.59, 5.86 A)
&rst
ixpk= 1044, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 198, 199,
igr2= 246, 247,
&end
#
# 0 AMB 25-2:1045 0 AMB 25-1:1045 2.50 (# 1045:25 Double Ambig)
&rst
ixpk= 1045, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 190, 533,
igr2= 246, 247, 535, 536,
&end
#
# 16 GLU HA 16 GLU HB- 3.50 (# 1046:25 Unique 2.49, 2.80 A)
&rst
ixpk= 1046, nxpk= 25, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 246, 247,
&end
#
# 0 AMB 25-2:1047 0 AMB 25-1:1047 5.50 (# 1047:25 Double Ambig)
&rst
ixpk= 1047, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 192, 193, 170, 171,1149,1150,
igr2= 246, 247, 535, 536,
&end
#
# 0 AMB 25-2:1048 0 AMB 25-1:1048 4.50 (# 1048:25 Double Ambig)
&rst
ixpk= 1048, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 538, 539, 198, 199,
igr2= 535, 536, 246, 247,
&end
#
# 0 AMB 25-2:1049 16 GLU HB- 5.50 (# 1049:25 Single Ambig)
&rst
ixpk= 1049, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 173, 174, 224, 225,
igr2= 246, 247,
&end
#
# 17 LEU HG 16 GLU HB- 5.50 (# 1050:25 Unique 3.28, 4.22 A)
&rst
ixpk= 1050, nxpk= 25, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 246, 247,
&end
#
# 0 AMB 25-2:1051 0 AMB 25-1:1051 4.50 (# 1051:25 Double Ambig)
&rst
ixpk= 1051, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 259,1400,
igr2= 754, 755,1408,1409,
&end
#
# 17 LEU HB+ 49 LYS QD 5.50 (# 1053:25 Unique 3.56, 5.74 A)
&rst
ixpk= 1053, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 261, 262,
igr2= 754, 755,
&end
#
# 17 LEU HB- 49 LYS QD 5.50 (# 1054:25 Unique 3.56, 5.74 A)
&rst
ixpk= 1054, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 261, 262,
igr2= 754, 755,
&end
#
# 0 AMB 25-2:1056 51 VAL HA 4.50 (# 1056:25 Single Ambig)
&rst
ixpk= 1056, nxpk= 25, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 805, 806, 802, 803,
&end
#
# 51 VAL HB 51 VAL HA 4.50 (# 1057:25 Unique 3.02, 3.04 A)
&rst
ixpk= 1057, nxpk= 25, iat= 786, 784, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1058 51 VAL HA 2.50 (# 1058:25 Single Ambig)
&rst
ixpk= 1058, nxpk= 25, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 788, 789, 790, 792, 793, 794, 772, 773, 774, 776,
777, 778,
&end
#
# 51 VAL MGX 51 VAL HA 3.50 (# 1059:25 Unique 2.46, 3.17 A)
&rst
ixpk= 1059, nxpk= 25, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 788, 789, 790, 792, 793, 794,
&end
#
# 105 GLN HA 112 LYS QD 7.00 (# 1060:25 Unique 4.86, 7.06 A)
&rst
ixpk= 1060, nxpk= 25, iat=1599, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1690,1691,
&end
#
# 112 LYS HA 112 LYS QD 4.50 (# 1061:25 Unique 2.37, 4.36 A)
&rst
ixpk= 1061, nxpk= 25, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1690,1691,
&end
#
# 0 AMB 25-2:1062 0 AMB 25-1:1062 2.50 (# 1062:25 Double Ambig)
&rst
ixpk= 1062, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=1687,1688, 49, 50,
igr2=1690,1691, 52, 53,
&end
#
# 0 AMB 25-2:1063 94 LYS HD- 5.50 (# 1063:25 Single Ambig)
&rst
ixpk= 1063, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1496,1497,1387,1388,1563,1564,
igr2=1408,1409,
&end
#
# 94 LYS HB+ 94 LYS HD- 4.50 (# 1064:25 Unique 2.41, 3.26 A)
&rst
ixpk= 1064, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1402,1403,
igr2=1408,1409,
&end
#
# 85 ILE MG2 94 LYS HD- 3.50 (# 1065:25 Unique 2.75, 3.52 A)
&rst
ixpk= 1065, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1287,1288,1289,
igr2=1408,1409,
&end
#
# 0 AMB 25-2:1066 0 AMB 25-1:1066 5.50 (# 1066:25 Double Ambig)
&rst
ixpk= 1066, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1496,1497,1387,1388,1563,1564,
igr2=1408,1409,1408,1409,1408,1409,
&end
#
# 94 LYS HB+ 94 LYS HD+ 4.50 (# 1067:25 Unique 2.41, 3.26 A)
&rst
ixpk= 1067, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1402,1403,
igr2=1408,1409,
&end
#
# 90 THR MG2 94 LYS HD+ 4.50 (# 1068:25 Unique 2.40, 3.54 A)
&rst
ixpk= 1068, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1343,1344,1345,
igr2=1408,1409,
&end
#
# 0 AMB 25-2:1070 0 AMB 25-1:1070 4.50 (# 1070:25 Double Ambig)
&rst
ixpk= 1070, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
1573,1574,
igr2=1408,1409,1408,1409,
&end
#
# 0 AMB 25-2:1071 0 AMB 25-1:1071 4.50 (# 1071:25 Double Ambig)
&rst
ixpk= 1071, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.81, r4=11.31,
igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
1521,1522,1357,1358,1359,1361,1362,1363,1357,1358,
1359,1361,1362,1363,
igr2=1408,1409,1408,1409,1408,1409,1408,1409,
&end
#
# 94 LYS HA 94 LYS HD+ 5.50 (# 1072:25 Unique 4.60, 4.71 A)
&rst
ixpk= 1072, nxpk= 25, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1408,1409,
&end
#
# 0 AMB 25-2:1073 0 AMB 25-1:1073 3.50 (# 1073:25 Double Ambig)
&rst
ixpk= 1073, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1411,1412,1411,1412,
igr2=1408,1409,1408,1409,
&end
#
# 83 LYS QE 83 LYS QD 2.50 (# 1075:25 Unique 2.35, 2.73 A)
&rst
ixpk= 1075, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1255,1256,
igr2=1252,1253,
&end
#
# 83 LYS QB 83 LYS QD 2.50 (# 1076:25 Unique 2.39, 3.02 A)
&rst
ixpk= 1076, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1246,1247,
igr2=1252,1253,
&end
#
# 85 ILE MD1 83 LYS QD 5.50 (# 1077:25 Unique 2.99, 5.02 A)
&rst
ixpk= 1077, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1294,1295,1296,
igr2=1252,1253,
&end
#
# 0 AMB 25-2:1078 28 LYS QG 4.50 (# 1078:25 Single Ambig)
&rst
ixpk= 1078, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 421, 422, 817, 818,
igr2= 418, 419,
&end
#
# 85 ILE MG2 94 LYS HD+ 3.50 (# 1079:25 Unique 2.75, 3.52 A)
&rst
ixpk= 1079, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1287,1288,1289,
igr2=1408,1409,
&end
#
# 20 SER HB- 20 SER HA 2.50 (# 1080:25 Unique 2.40, 2.70 A)
&rst
ixpk= 1080, nxpk= 25, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 301, 302,
&end
#
# 34 CYS HA 34 CYS HB+ 5.50 (# 1083:25 Unique 2.48, 2.78 A)
&rst
ixpk= 1083, nxpk= 25, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 510, 511,
&end
#
# 34 CYS HA 34 CYS HB- 4.50 (# 1086:25 Unique 2.48, 2.78 A)
&rst
ixpk= 1086, nxpk= 25, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 510, 511,
&end
#
# 31 CYS HB+ 34 CYS HB+ 5.50 (# 1091:25 Unique 2.14, 3.89 A)
&rst
ixpk= 1091, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 473, 472,
igr2= 510, 511,
&end
#
# 0 AMB 25-2:1092 38 LYS HA 5.50 (# 1092:25 Single Ambig)
&rst
ixpk= 1092, nxpk= 25, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 561, 562, 563, 565, 566, 567, 772, 773, 774, 776,
777, 778,
&end
#
# 38 LYS HD- 38 LYS HA 5.50 (# 1093:25 Unique 4.40, 4.73 A)
&rst
ixpk= 1093, nxpk= 25, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 581, 582,
&end
#
# 0 AMB 25-2:1094 38 LYS HA 4.50 (# 1094:25 Single Ambig)
&rst
ixpk= 1094, nxpk= 25, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 633, 634, 561, 562, 563, 565, 566, 567,
&end
#
# 0 AMB 25-2:1100 0 AMB 25-1:1100 2.50 (# 1100:25 Double Ambig)
&rst
ixpk= 1100, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 669, 670,1444,1445,
igr2= 666, 667,1441,1442,
&end
#
# 40 LEU MDY 43 GLN QB 5.50 (# 1101:25 Unique 3.55, 6.81 A)
&rst
ixpk= 1101, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 619, 620, 621, 623, 624, 625,
igr2= 666, 667,
&end
#
# 0 AMB 25-2:1102 43 GLN QB 4.50 (# 1102:25 Single Ambig)
&rst
ixpk= 1102, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
690, 691,
igr2= 666, 667,
&end
#
# 0 AMB 25-2:1103 0 AMB 25-1:1103 2.50 (# 1103:25 Double Ambig)
&rst
ixpk= 1103, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 664,1385, 612,
igr2= 666, 667,1441,1442,
&end
#
# 97 ARG HG+ 96 GLN HB+ 5.50 (# 1104:25 Unique 3.20, 4.80 A)
&rst
ixpk= 1104, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1461,1462,
igr2=1441,1442,
&end
#
# 40 LEU MDX 43 GLN QB 5.50 (# 1105:25 Unique 3.55, 6.81 A)
&rst
ixpk= 1105, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 619, 620, 621, 623, 624, 625,
igr2= 666, 667,
&end
#
# 0 AMB 25-2:1106 0 AMB 25-1:1106 3.50 (# 1106:25 Double Ambig)
&rst
ixpk= 1106, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 974, 912, 913,
igr2= 959, 960, 959, 960,
&end
#
# 66 LEU HB- 63 GLN HB+ 5.50 (# 1107:25 Unique 4.57, 5.81 A)
&rst
ixpk= 1107, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 997, 998,
igr2= 959, 960,
&end
#
# 0 AMB 25-2:1108 0 AMB 25-1:1108 4.50 (# 1108:25 Double Ambig)
&rst
ixpk= 1108, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1135,1136,1137,1139,1140,1141, 945, 946, 947, 949,
950, 951,
igr2= 959, 960, 959, 960,
&end
#
# 0 AMB 25-2:1109 0 AMB 25-1:1109 4.50 (# 1109:25 Double Ambig)
&rst
ixpk= 1109, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 822, 823, 824, 826, 827, 828,1766,1767,1768,1770,
1771,1772,
igr2= 959, 960,1601,1602,
&end
#
# 0 AMB 25-2:1110 102 PRO HG- 4.50 (# 1110:25 Single Ambig)
&rst
ixpk= 1110, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1494,1555,
igr2=1549,1550,
&end
#
# 102 PRO HD- 102 PRO HG- 3.50 (# 1111:25 Unique 2.28, 2.60 A)
&rst
ixpk= 1111, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1546,1547,
igr2=1549,1550,
&end
#
# 102 PRO HD+ 102 PRO HG- 3.50 (# 1112:25 Unique 2.28, 2.60 A)
&rst
ixpk= 1112, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1546,1547,
igr2=1549,1550,
&end
#
# 102 PRO HB- 102 PRO HG- 2.50 (# 1113:25 Unique 2.35, 2.62 A)
&rst
ixpk= 1113, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1552,1553,
igr2=1549,1550,
&end
#
# 0 AMB 25-2:1114 102 PRO HG- 4.50 (# 1114:25 Single Ambig)
&rst
ixpk= 1114, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1761,1762,1764,
igr2=1549,1550,
&end
#
# 101 LEU MDY 102 PRO HG- 5.50 (# 1115:25 Unique 3.65, 7.14 A)
&rst
ixpk= 1115, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1535,1536,1537,1539,1540,1541,
igr2=1549,1550,
&end
#
# 39 GLN HA 39 GLN QB 3.50 (# 1116:25 Unique 2.45, 2.78 A)
&rst
ixpk= 1116, nxpk= 25, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 597, 598,
&end
#
# 0 AMB 25-2:1117 39 GLN QB 5.50 (# 1117:25 Single Ambig)
&rst
ixpk= 1117, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 654, 655, 656, 619, 620, 621, 623, 624, 625,
igr2= 597, 598,
&end
#
# 105 GLN HG- 105 GLN HB- 2.50 (# 1118:25 Unique 2.25, 2.70 A)
&rst
ixpk= 1118, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1604,1605,
igr2=1601,1602,
&end
#
# 0 AMB 25-2:1119 105 GLN HB- 3.50 (# 1119:25 Single Ambig)
&rst
ixpk= 1119, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1742,1555,
igr2=1601,1602,
&end
#
# 105 GLN HA 105 GLN HB- 2.50 (# 1120:25 Unique 2.46, 2.80 A)
&rst
ixpk= 1120, nxpk= 25, iat=1599, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2=1601,1602,
&end
#
# 0 AMB 25-2:1122 5 GLN HB- 4.50 (# 1122:25 Single Ambig)
&rst
ixpk= 1122, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 49, 50, 131, 132, 133,
igr2= 68, 69,
&end
#
# 0 AMB 25-2:1123 0 AMB 25-1:1123 3.50 (# 1123:25 Double Ambig)
&rst
ixpk= 1123, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1494,1555,
igr2=1549,1550,1549,1550,
&end
#
# 102 PRO HD- 102 PRO HG+ 4.50 (# 1124:25 Unique 2.28, 2.60 A)
&rst
ixpk= 1124, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1546,1547,
igr2=1549,1550,
&end
#
# 102 PRO HD+ 102 PRO HG+ 4.50 (# 1125:25 Unique 2.28, 2.60 A)
&rst
ixpk= 1125, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1546,1547,
igr2=1549,1550,
&end
#
# 102 PRO HB- 102 PRO HG+ 2.50 (# 1126:25 Unique 2.35, 2.62 A)
&rst
ixpk= 1126, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1552,1553,
igr2=1549,1550,
&end
#
# 117 LEU MDX 102 PRO HG+ 5.50 (# 1127:25 Unique 2.31, 5.72 A)
&rst
ixpk= 1127, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1766,1767,1768,1770,1771,1772,
igr2=1549,1550,
&end
#
# 31 CYS HB+ 31 CYS HA 4.50 (# 1128:25 Unique 2.27, 2.71 A)
&rst
ixpk= 1128, nxpk= 25, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 473, 472,
&end
#
# 31 CYS HB- 31 CYS HA 4.50 (# 1129:25 Unique 2.27, 2.71 A)
&rst
ixpk= 1129, nxpk= 25, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 473, 472,
&end
#
# 66 LEU HB- 63 GLN HA 4.50 (# 1130:25 Unique 2.09, 3.22 A)
&rst
ixpk= 1130, nxpk= 25, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 997, 998,
&end
#
# 53 LEU MDY 63 GLN HA 4.50 (# 1131:25 Unique 2.44, 4.28 A)
&rst
ixpk= 1131, nxpk= 25, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 66 LEU MDY 63 GLN HA 4.50 (# 1132:25 Unique 3.16, 5.33 A)
&rst
ixpk= 1132, nxpk= 25, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 38 LYS HB+ 38 LYS HA 3.50 (# 1133:25 Unique 2.44, 2.79 A)
&rst
ixpk= 1133, nxpk= 25, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 575, 576,
&end
#
# 38 LYS HB- 38 LYS HA 4.50 (# 1134:25 Unique 2.44, 2.79 A)
&rst
ixpk= 1134, nxpk= 25, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 575, 576,
&end
#
# 38 LYS HG- 38 LYS HA 3.50 (# 1135:25 Unique 2.43, 2.76 A)
&rst
ixpk= 1135, nxpk= 25, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 578, 579,
&end
#
# 38 LYS HG+ 38 LYS HA 4.50 (# 1136:25 Unique 2.43, 2.76 A)
&rst
ixpk= 1136, nxpk= 25, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 578, 579,
&end
#
# 41 LEU MDY 38 LYS HA 4.50 (# 1137:25 Unique 2.92, 5.22 A)
&rst
ixpk= 1137, nxpk= 25, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 96 GLN HA 96 GLN HB+ 3.50 (# 1141:25 Unique 2.35, 2.75 A)
&rst
ixpk= 1141, nxpk= 25, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1441,1442,
&end
#
# 62 LEU MDX 61 GLN HB+ 5.50 (# 1142:25 Unique 2.66, 6.67 A)
&rst
ixpk= 1142, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 945, 946, 947, 949, 950, 951,
igr2= 923, 924,
&end
#
# 53 LEU HB- 63 GLN HB+ 5.50 (# 1143:25 Unique 2.87, 4.60 A)
&rst
ixpk= 1143, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 817, 818,
igr2= 959, 960,
&end
#
# 0 AMB 25-2:1144 22 PRO HG- 3.50 (# 1144:25 Single Ambig)
&rst
ixpk= 1144, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 319, 320, 319, 320, 716, 717, 716, 717,
igr2= 322, 323,
&end
#
# 0 AMB 25-2:1145 22 PRO HG- 4.50 (# 1145:25 Single Ambig)
&rst
ixpk= 1145, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1650,1651,1652,1640,1641,1642,1630,1631,1632,
igr2= 322, 323,
&end
#
# 21 ALA MB 22 PRO HG- 5.50 (# 1146:25 Unique 3.82, 5.27 A)
&rst
ixpk= 1146, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 312, 313, 314,
igr2= 322, 323,
&end
#
# 0 AMB 25-2:1147 0 AMB 25-1:1147 2.50 (# 1147:25 Double Ambig)
&rst
ixpk= 1147, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=1599,1385,
igr2=1601,1602,1441,1442,
&end
#
# 96 GLN HA 96 GLN HB- 2.50 (# 1148:25 Unique 2.35, 2.75 A)
&rst
ixpk= 1148, nxpk= 25, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2=1441,1442,
&end
#
# 96 GLN HG- 96 GLN HB- 3.50 (# 1149:25 Unique 2.31, 2.70 A)
&rst
ixpk= 1149, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1444,1445,
igr2=1441,1442,
&end
#
# 0 AMB 25-2:1151 0 AMB 25-1:1151 3.50 (# 1151:25 Double Ambig)
&rst
ixpk= 1151, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 319, 320, 319, 320, 716, 717,
igr2= 322, 323, 322, 323, 322, 323,
&end
#
# 61 GLN HA 61 GLN HB- 3.50 (# 1152:25 Unique 2.35, 2.72 A)
&rst
ixpk= 1152, nxpk= 25, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 923, 924,
&end
#
# 97 ARG HA 97 ARG HG- 4.50 (# 1153:25 Unique 2.30, 2.88 A)
&rst
ixpk= 1153, nxpk= 25, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1461,1462,
&end
#
# 0 AMB 25-2:1154 97 ARG HG- 2.50 (# 1154:25 Single Ambig)
&rst
ixpk= 1154, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=1458,1459,1496,1497,
igr2=1461,1462,
&end
#
# 96 GLN HB+ 97 ARG HG- 4.50 (# 1155:25 Unique 3.20, 4.80 A)
&rst
ixpk= 1155, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1441,1442,
igr2=1461,1462,
&end
#
# 101 LEU HA 101 LEU HG 4.50 (# 1156:25 Unique 2.32, 3.25 A)
&rst
ixpk= 1156, nxpk= 25, iat=1528,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 PRO HD- 101 LEU HG 5.50 (# 1157:25 Unique 2.93, 4.48 A)
&rst
ixpk= 1157, nxpk= 25, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1546,1547,
&end
#
# 0 AMB 25-2:1158 101 LEU HG 4.50 (# 1158:25 Single Ambig)
&rst
ixpk= 1158, nxpk= 25, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 683,1604,1605,1604,1605,
&end
#
# 101 LEU MDX 101 LEU HG 2.50 (# 1159:25 Unique 2.37, 2.66 A)
&rst
ixpk= 1159, nxpk= 25, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1535,1536,1537,1539,1540,1541,
&end
#
# 102 PRO HD+ 101 LEU HG 5.50 (# 1160:25 Unique 2.93, 4.48 A)
&rst
ixpk= 1160, nxpk= 25, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1546,1547,
&end
#
# 32 GLY QA 31 CYS HA 4.50 (# 1162:25 Unique 4.31, 4.39 A)
&rst
ixpk= 1162, nxpk= 25, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 480, 481,
&end
#
# 102 PRO HD- 101 LEU HA 5.50 (# 1163:25 Unique 3.98, 4.14 A)
&rst
ixpk= 1163, nxpk= 25, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1546,1547,
&end
#
# 0 AMB 25-2:1164 101 LEU HA 2.50 (# 1164:25 Single Ambig)
&rst
ixpk= 1164, nxpk= 25, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1587,1588,1589,1591,1592,1593,1533,1530,1531,
&end
#
# 101 LEU MDX 101 LEU HA 2.50 (# 1165:25 Unique 2.12, 3.61 A)
&rst
ixpk= 1165, nxpk= 25, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1535,1536,1537,1539,1540,1541,
&end
#
# 0 AMB 25-2:1166 101 LEU HA 3.50 (# 1166:25 Single Ambig)
&rst
ixpk= 1166, nxpk= 25, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1587,1588,1589,1591,1592,1593,1585,
&end
#
# 0 AMB 25-2:1167 63 GLN HA 2.50 (# 1167:25 Single Ambig)
&rst
ixpk= 1167, nxpk= 25, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 959, 960, 820,
&end
#
# 0 AMB 25-2:1168 63 GLN HA 4.50 (# 1168:25 Single Ambig)
&rst
ixpk= 1168, nxpk= 25, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1016,1017,1018, 987, 988, 989,
&end
#
# 0 AMB 25-2:1169 15 LYS HA 5.50 (# 1169:25 Single Ambig)
&rst
ixpk= 1169, nxpk= 25, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 212, 244,
&end
#
# 18 ALA MB 15 LYS HA 3.50 (# 1170:25 Unique 2.31, 3.30 A)
&rst
ixpk= 1170, nxpk= 25, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 280, 281, 282,
&end
#
# 15 LYS HG+ 15 LYS HA 3.50 (# 1171:25 Unique 2.35, 2.73 A)
&rst
ixpk= 1171, nxpk= 25, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 227, 228,
&end
#
# 10 ALA MB 61 GLN HB+ 4.50 (# 1172:25 Unique 2.31, 3.77 A)
&rst
ixpk= 1172, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 141, 142, 143,
igr2= 923, 924,
&end
#
# 0 AMB 25-2:1173 61 GLN HB- 5.50 (# 1173:25 Single Ambig)
&rst
ixpk= 1173, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 976, 977, 910,
igr2= 923, 924,
&end
#
# 10 ALA MB 61 GLN HB- 3.50 (# 1174:25 Unique 2.31, 3.77 A)
&rst
ixpk= 1174, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 141, 142, 143,
igr2= 923, 924,
&end
#
# 0 AMB 25-2:1175 61 GLN HB- 3.50 (# 1175:25 Single Ambig)
&rst
ixpk= 1175, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 893, 894, 926, 927,
igr2= 923, 924,
&end
#
# 97 ARG QD 97 ARG HG- 3.50 (# 1176:25 Unique 2.41, 2.65 A)
&rst
ixpk= 1176, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1464,1465,
igr2=1461,1462,
&end
#
# 97 ARG HA 97 ARG HG+ 3.50 (# 1179:25 Unique 2.30, 2.88 A)
&rst
ixpk= 1179, nxpk= 25, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1461,1462,
&end
#
# 0 AMB 25-2:1180 0 AMB 25-1:1180 2.50 (# 1180:25 Double Ambig)
&rst
ixpk= 1180, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 541, 542,1464,1465,
igr2= 538, 539,1461,1462,
&end
#
# 0 AMB 25-2:1181 0 AMB 25-1:1181 2.50 (# 1181:25 Double Ambig)
&rst
ixpk= 1181, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=1458,1459,1496,1497,
igr2=1461,1462,1461,1462,
&end
#
# 0 AMB 25-2:1184 0 AMB 25-1:1184 4.50 (# 1184:25 Double Ambig)
&rst
ixpk= 1184, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 338, 339, 340, 342, 343, 344,1215,1216,1217,
igr2=1219,1220,1219,1220,
&end
#
# 0 AMB 25-2:1185 0 AMB 25-1:1185 3.50 (# 1185:25 Double Ambig)
&rst
ixpk= 1185, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1222,1223,1224,1179,1180,1181,1183,1184,1185,1587,
1588,1589,1591,1592,1593,
igr2=1219,1220,1219,1220,1219,1220,
&end
#
# 0 AMB 25-2:1186 0 AMB 25-1:1186 5.50 (# 1186:25 Double Ambig)
&rst
ixpk= 1186, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
1184,1185,
igr2=1219,1220,1219,1220,
&end
#
# 36 ARG HD- 36 ARG HA 4.50 (# 1188:25 Unique 2.16, 4.50 A)
&rst
ixpk= 1188, nxpk= 25, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 541, 542,
&end
#
# 99 GLU HB- 94 LYS HA 3.50 (# 1189:25 Unique 2.55, 3.33 A)
&rst
ixpk= 1189, nxpk= 25, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1496,1497,
&end
#
# 0 AMB 25-2:1190 94 LYS HA 2.50 (# 1190:25 Single Ambig)
&rst
ixpk= 1190, nxpk= 25, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1461,1462,1405,1406,
&end
#
# 94 LYS HB- 94 LYS HA 3.50 (# 1191:25 Unique 2.48, 2.78 A)
&rst
ixpk= 1191, nxpk= 25, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1402,1403,
&end
#
# 0 AMB 25-2:1192 12 LYS HA 4.50 (# 1192:25 Single Ambig)
&rst
ixpk= 1192, nxpk= 25, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 190, 129,
&end
#
# 0 AMB 25-2:1193 12 LYS HA 4.50 (# 1193:25 Single Ambig)
&rst
ixpk= 1193, nxpk= 25, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 149, 244, 212,
&end
#
# 12 LYS QB 12 LYS HA 2.50 (# 1194:25 Unique 2.44, 2.78 A)
&rst
ixpk= 1194, nxpk= 25, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 170, 171,
&end
#
# 0 AMB 25-2:1195 12 LYS HA 4.50 (# 1195:25 Single Ambig)
&rst
ixpk= 1195, nxpk= 25, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 176, 177, 233, 234,
&end
#
# 12 LYS HG- 12 LYS HA 4.50 (# 1196:25 Unique 2.44, 2.78 A)
&rst
ixpk= 1196, nxpk= 25, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 173, 174,
&end
#
# 0 AMB 25-2:1197 12 LYS HA 3.50 (# 1197:25 Single Ambig)
&rst
ixpk= 1197, nxpk= 25, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 173, 174, 224, 225, 154,
&end
#
# 15 LYS QB 15 LYS HA 3.50 (# 1198:25 Unique 2.38, 2.78 A)
&rst
ixpk= 1198, nxpk= 25, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 224, 225,
&end
#
# 15 LYS HG- 15 LYS HA 4.50 (# 1199:25 Unique 2.35, 2.73 A)
&rst
ixpk= 1199, nxpk= 25, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 227, 228,
&end
#
# 36 ARG HD+ 36 ARG HG+ 3.50 (# 1201:25 Unique 2.33, 2.70 A)
&rst
ixpk= 1201, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 541, 542,
igr2= 538, 539,
&end
#
# 36 ARG HB- 36 ARG HG+ 3.50 (# 1202:25 Unique 2.36, 2.76 A)
&rst
ixpk= 1202, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 535, 536,
igr2= 538, 539,
&end
#
# 72 ARG HD+ 72 ARG HG+ 4.50 (# 1203:25 Unique 2.33, 2.73 A)
&rst
ixpk= 1203, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1094,1095,
igr2=1091,1092,
&end
#
# 0 AMB 25-2:1204 40 LEU MDY 3.50 (# 1204:25 Single Ambig)
&rst
ixpk= 1204, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
1362,1363,1516,1517,1518,1520,1521,1522,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 68 HIS HB- 68 HIS HA 2.50 (# 1206:25 Unique 2.29, 2.66 A)
&rst
ixpk= 1206, nxpk= 25, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1026,1027,
&end
#
# 67 ALA MB 68 HIS HA 4.50 (# 1207:25 Unique 4.20, 4.88 A)
&rst
ixpk= 1207, nxpk= 25, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1016,1017,1018,
&end
#
# 85 ILE HG1+ 85 ILE HA 4.50 (# 1208:25 Unique 2.54, 3.50 A)
&rst
ixpk= 1208, nxpk= 25, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1291,1292,
&end
#
# 61 GLN HG- 61 GLN HA 3.50 (# 1209:25 Unique 2.36, 2.93 A)
&rst
ixpk= 1209, nxpk= 25, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 926, 927,
&end
#
# 0 AMB 25-2:1210 0 AMB 25-1:1210 3.50 (# 1210:25 Double Ambig)
&rst
ixpk= 1210, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1373,1374,1375,1377,1378,1379, 264,
igr2=1385, 190,
&end
#
# 0 AMB 25-2:1211 0 AMB 25-1:1211 2.50 (# 1211:25 Double Ambig)
&rst
ixpk= 1211, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 535, 536,1387,1388, 597, 598,1441,1442,
igr2= 533,1385,
&end
#
# 0 AMB 25-2:1212 0 AMB 25-1:1212 3.50 (# 1212:25 Double Ambig)
&rst
ixpk= 1212, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 669, 670, 600, 601,
igr2= 664, 533,
&end
#
# 0 AMB 25-2:1213 43 GLN HA 2.50 (# 1213:25 Single Ambig)
&rst
ixpk= 1213, nxpk= 25, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 666, 667, 669, 670,
&end
#
# 42 THR MG2 43 GLN HA 3.50 (# 1214:25 Unique 3.57, 4.67 A)
&rst
ixpk= 1214, nxpk= 25, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 654, 655, 656,
&end
#
# 0 AMB 25-2:1215 16 GLU HA 4.50 (# 1215:25 Single Ambig)
&rst
ixpk= 1215, nxpk= 25, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 224, 225, 173, 174,
&end
#
# 53 LEU MDX 53 LEU HG 4.50 (# 1216:25 Unique 2.38, 2.66 A)
&rst
ixpk= 1216, nxpk= 25, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 25-2:1217 53 LEU HG 3.50 (# 1217:25 Single Ambig)
&rst
ixpk= 1217, nxpk= 25, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 822, 823, 824, 826, 827, 828, 868, 869, 870, 872,
873, 874, 788, 789, 790, 792, 793, 794,
&end
#
# 114 PRO HA 114 PRO QG 4.50 (# 1218:25 Unique 2.78, 3.70 A)
&rst
ixpk= 1218, nxpk= 25, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1720,1721,
&end
#
# 114 PRO HD- 114 PRO QG 2.50 (# 1219:25 Unique 2.29, 2.61 A)
&rst
ixpk= 1219, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1717,1718,
igr2=1720,1721,
&end
#
# 114 PRO HB- 114 PRO QG 2.50 (# 1220:25 Unique 2.36, 2.63 A)
&rst
ixpk= 1220, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1723,1724,
igr2=1720,1721,
&end
#
# 62 LEU HA 62 LEU MDX 4.50 (# 1222:25 Unique 2.12, 3.20 A)
&rst
ixpk= 1222, nxpk= 25, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 62 LEU HB- 62 LEU MDX 4.50 (# 1223:25 Unique 2.37, 3.55 A)
&rst
ixpk= 1223, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 940, 941,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 0 AMB 25-2:1224 0 AMB 25-1:1224 4.50 (# 1224:25 Double Ambig)
&rst
ixpk= 1224, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 533,1067,
igr2= 538, 539,1268,1269,
&end
#
# 36 ARG HB+ 36 ARG HG+ 3.50 (# 1225:25 Unique 2.36, 2.76 A)
&rst
ixpk= 1225, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 535, 536,
igr2= 538, 539,
&end
#
# 36 ARG HA 36 ARG HG- 3.50 (# 1227:25 Unique 2.44, 2.77 A)
&rst
ixpk= 1227, nxpk= 25, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 538, 539,
&end
#
# 36 ARG HB+ 36 ARG HG- 4.50 (# 1228:25 Unique 2.36, 2.76 A)
&rst
ixpk= 1228, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 535, 536,
igr2= 538, 539,
&end
#
# 0 AMB 25-2:1229 100 LEU HG 5.50 (# 1229:25 Single Ambig)
&rst
ixpk= 1229, nxpk= 25, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1411,1412,1411,1412,
&end
#
# 100 LEU HA 100 LEU HG 5.50 (# 1230:25 Unique 2.72, 3.05 A)
&rst
ixpk= 1230, nxpk= 25, iat=1509,1514, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 LEU HB+ 100 LEU HG 5.50 (# 1231:25 Unique 2.34, 2.78 A)
&rst
ixpk= 1231, nxpk= 25, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1511,1512,
&end
#
# 0 AMB 25-2:1232 100 LEU HG 2.50 (# 1232:25 Single Ambig)
&rst
ixpk= 1232, nxpk= 25, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
1362,1363,
&end
#
# 15 LYS QD 11 LEU HG 5.50 (# 1233:25 Unique 3.10, 4.86 A)
&rst
ixpk= 1233, nxpk= 25, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 230, 231,
&end
#
# 72 ARG HD+ 72 ARG HG- 5.50 (# 1234:25 Unique 2.33, 2.73 A)
&rst
ixpk= 1234, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1094,1095,
igr2=1091,1092,
&end
#
# 72 ARG HD- 72 ARG HG- 4.50 (# 1235:25 Unique 2.33, 2.73 A)
&rst
ixpk= 1235, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1094,1095,
igr2=1091,1092,
&end
#
# 40 LEU HA 40 LEU MDY 4.50 (# 1236:25 Unique 2.27, 3.93 A)
&rst
ixpk= 1236, nxpk= 25, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 25-2:1237 40 LEU MDY 2.50 (# 1237:25 Single Ambig)
&rst
ixpk= 1237, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 614, 615, 636,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 25-2:1238 85 ILE HA 4.50 (# 1238:25 Single Ambig)
&rst
ixpk= 1238, nxpk= 25, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1266,1411,1412,
&end
#
# 0 AMB 25-2:1239 85 ILE HA 3.50 (# 1239:25 Single Ambig)
&rst
ixpk= 1239, nxpk= 25, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1291,1292,1285,
&end
#
# 0 AMB 25-2:1240 85 ILE HA 5.50 (# 1240:25 Single Ambig)
&rst
ixpk= 1240, nxpk= 25, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1268,1269,1343,1344,1345,
&end
#
# 0 AMB 25-2:1241 85 ILE HA 2.50 (# 1241:25 Single Ambig)
&rst
ixpk= 1241, nxpk= 25, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1294,1295,1296,1287,1288,1289,
&end
#
# 13 LYS HG+ 13 LYS HA 3.50 (# 1242:25 Unique 2.36, 3.07 A)
&rst
ixpk= 1242, nxpk= 25, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 195, 196,
&end
#
# 0 AMB 25-2:1243 0 AMB 25-1:1243 2.50 (# 1243:25 Double Ambig)
&rst
ixpk= 1243, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 52, 53, 100, 101, 538, 539,
igr2= 44, 533,
&end
#
# 42 THR HB 39 GLN HA 3.50 (# 1244:25 Unique 2.25, 2.36 A)
&rst
ixpk= 1244, nxpk= 25, iat= 652, 595, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 GLN HG+ 39 GLN HA 3.50 (# 1245:25 Unique 2.36, 3.01 A)
&rst
ixpk= 1245, nxpk= 25, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 600, 601,
&end
#
# 39 GLN HG- 39 GLN HA 3.50 (# 1246:25 Unique 2.36, 3.01 A)
&rst
ixpk= 1246, nxpk= 25, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 600, 601,
&end
#
# 39 GLN QB 39 GLN HA 2.50 (# 1247:25 Unique 2.45, 2.78 A)
&rst
ixpk= 1247, nxpk= 25, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 597, 598,
&end
#
# 42 THR MG2 39 GLN HA 4.50 (# 1248:25 Unique 3.96, 4.58 A)
&rst
ixpk= 1248, nxpk= 25, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 654, 655, 656,
&end
#
# 0 AMB 25-2:1249 0 AMB 25-1:1249 2.50 (# 1249:25 Double Ambig)
&rst
ixpk= 1249, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1441,1442, 249, 250, 246, 247,
igr2=1439, 244,
&end
#
# 88 CYS HA 88 CYS HB+ 4.50 (# 1251:25 Unique 2.35, 2.57 A)
&rst
ixpk= 1251, nxpk= 25, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1318,1319,
&end
#
# 76 PRO QG 88 CYS HB+ 5.50 (# 1252:25 Unique 2.24, 3.46 A)
&rst
ixpk= 1252, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1149,1150,
igr2=1318,1319,
&end
#
# 37 VAL MGY 88 CYS HB+ 5.50 (# 1253:25 Unique 2.37, 5.03 A)
&rst
ixpk= 1253, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 561, 562, 563, 565, 566, 567,
igr2=1318,1319,
&end
#
# 88 CYS HA 88 CYS HB- 4.50 (# 1255:25 Unique 2.35, 2.57 A)
&rst
ixpk= 1255, nxpk= 25, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1318,1319,
&end
#
# 37 VAL MGY 88 CYS HB- 4.50 (# 1257:25 Unique 2.37, 5.03 A)
&rst
ixpk= 1257, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 561, 562, 563, 565, 566, 567,
igr2=1318,1319,
&end
#
# 33 TYR HB- 88 CYS HB- 5.50 (# 1258:25 Unique 2.30, 3.59 A)
&rst
ixpk= 1258, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 489, 490,
igr2=1318,1319,
&end
#
# 0 AMB 25-2:1259 88 CYS HB- 5.50 (# 1259:25 Single Ambig)
&rst
ixpk= 1259, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1149,1150,1152,1153,
igr2=1318,1319,
&end
#
# 0 AMB 25-2:1260 0 AMB 25-1:1260 5.50 (# 1260:25 Double Ambig)
&rst
ixpk= 1260, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 439, 440, 441,1674,1675,1676,1734,1735,1736,
igr2= 802, 803,1720,1721,
&end
#
# 0 AMB 25-2:1261 17 LEU MDY 5.50 (# 1261:25 Single Ambig)
&rst
ixpk= 1261, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 259, 212,
igr2= 266, 267, 268, 270, 271, 272,
&end
#
# 0 AMB 25-2:1263 62 LEU MDX 4.50 (# 1263:25 Single Ambig)
&rst
ixpk= 1263, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 214, 215, 216, 141, 142, 143,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 85 ILE HA 85 ILE HG1- 5.50 (# 1264:25 Unique 2.54, 3.50 A)
&rst
ixpk= 1264, nxpk= 25, iat=1283, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1291,1292,
&end
#
# 0 AMB 25-2:1266 85 ILE HG1- 2.50 (# 1266:25 Single Ambig)
&rst
ixpk= 1266, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1222,1223,1224,1287,1288,1289,1294,1295,1296,
igr2=1291,1292,
&end
#
# 84 GLN HA 84 GLN HB+ 4.50 (# 1267:25 Unique 2.35, 2.81 A)
&rst
ixpk= 1267, nxpk= 25, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1268,1269,
&end
#
# 7 LEU HA 7 LEU HG 4.50 (# 1269:25 Unique 2.90, 3.22 A)
&rst
ixpk= 1269, nxpk= 25, iat= 98, 103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1270 7 LEU HG 2.50 (# 1270:25 Single Ambig)
&rst
ixpk= 1270, nxpk= 25, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 105, 106, 107, 109, 110, 111, 105, 106, 107, 109,
110, 111,
&end
#
# 0 AMB 25-2:1271 0 AMB 25-1:1271 5.50 (# 1271:25 Double Ambig)
&rst
ixpk= 1271, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1119, 117,
igr2=1091,1092, 154,
&end
#
# 0 AMB 25-2:1272 11 LEU HG 3.50 (# 1272:25 Single Ambig)
&rst
ixpk= 1272, nxpk= 25, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 151, 152, 233, 234,
&end
#
# 11 LEU MDX 11 LEU HG 3.50 (# 1273:25 Unique 2.32, 2.66 A)
&rst
ixpk= 1273, nxpk= 25, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 11 LEU MDY 11 LEU HG 3.50 (# 1274:25 Unique 2.32, 2.66 A)
&rst
ixpk= 1274, nxpk= 25, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 11 LEU HA 11 LEU HG 5.50 (# 1275:25 Unique 2.50, 2.78 A)
&rst
ixpk= 1275, nxpk= 25, iat= 149, 154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 LYS HE- 11 LEU HG 5.50 (# 1276:25 Unique 2.56, 3.92 A)
&rst
ixpk= 1276, nxpk= 25, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 233, 234,
&end
#
# 84 GLN HA 84 GLN HB- 4.50 (# 1277:25 Unique 2.35, 2.81 A)
&rst
ixpk= 1277, nxpk= 25, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1268,1269,
&end
#
# 70 THR MG2 84 GLN HB- 5.50 (# 1279:25 Unique 2.75, 4.58 A)
&rst
ixpk= 1279, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1069,1070,1071,
igr2=1268,1269,
&end
#
# 0 AMB 25-2:1281 0 AMB 25-1:1281 2.50 (# 1281:25 Double Ambig)
&rst
ixpk= 1281, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1222,1223,1224,1287,1288,1289,1294,1295,1296,
igr2=1291,1292,1291,1292,1291,1292,
&end
#
# 8 ASP HB+ 5 GLN HA 3.50 (# 1284:25 Unique 2.27, 3.11 A)
&rst
ixpk= 1284, nxpk= 25, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 119, 120,
&end
#
# 5 GLN QG 5 GLN HA 3.50 (# 1285:25 Unique 2.33, 3.13 A)
&rst
ixpk= 1285, nxpk= 25, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 71, 72,
&end
#
# 0 AMB 25-2:1286 0 AMB 25-1:1286 2.50 (# 1286:25 Double Ambig)
&rst
ixpk= 1286, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 68, 69, 997, 998,
igr2= 66, 995,
&end
#
# 0 AMB 25-2:1287 66 LEU HA 3.50 (# 1287:25 Single Ambig)
&rst
ixpk= 1287, nxpk= 25, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1043,1044,1043,1044,
&end
#
# 66 LEU MDY 66 LEU HA 4.50 (# 1288:25 Unique 2.15, 3.21 A)
&rst
ixpk= 1288, nxpk= 25, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 25-2:1289 0 AMB 25-1:1289 2.50 (# 1289:25 Double Ambig)
&rst
ixpk= 1289, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 246, 247, 85, 86,1601,1602,
igr2= 190, 83,1599,
&end
#
# 0 AMB 25-2:1290 0 AMB 25-1:1290 2.50 (# 1290:25 Double Ambig)
&rst
ixpk= 1290, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 131, 132, 133, 49, 50,
igr2= 83, 44,
&end
#
# 0 AMB 25-2:1291 4 LYS HA 2.50 (# 1291:25 Single Ambig)
&rst
ixpk= 1291, nxpk= 25, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 46, 47, 46, 47,
&end
#
# 7 LEU MDX 4 LYS HA 3.50 (# 1292:25 Unique 3.44, 5.22 A)
&rst
ixpk= 1292, nxpk= 25, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 105, 106, 107, 109, 110, 111,
&end
#
# 0 AMB 25-2:1293 0 AMB 25-1:1293 5.50 (# 1293:25 Double Ambig)
&rst
ixpk= 1293, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1461,1462, 170, 171, 192, 193,
igr2=1439, 244,
&end
#
# 96 GLN HG+ 96 GLN HA 3.50 (# 1294:25 Unique 2.42, 3.10 A)
&rst
ixpk= 1294, nxpk= 25, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1444,1445,
&end
#
# 96 GLN HB+ 96 GLN HA 2.50 (# 1295:25 Unique 2.35, 2.75 A)
&rst
ixpk= 1295, nxpk= 25, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1441,1442,
&end
#
# 62 LEU MDX 17 LEU MDY 3.50 (# 1297:25 Unique 2.39, 5.96 A)
&rst
ixpk= 1297, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 945, 946, 947, 949, 950, 951,
igr2= 266, 267, 268, 270, 271, 272,
&end
#
# 11 LEU MDX 7 LEU HG 5.50 (# 1301:25 Unique 4.82, 6.78 A)
&rst
ixpk= 1301, nxpk= 25, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 66 LEU HA 66 LEU HG 5.50 (# 1302:25 Unique 3.67, 3.71 A)
&rst
ixpk= 1302, nxpk= 25, iat= 995,1000, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1303 0 AMB 25-1:1303 4.50 (# 1303:25 Double Ambig)
&rst
ixpk= 1303, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 997, 998,1402,1403,
igr2=1000,1514,
&end
#
# 66 LEU MDY 66 LEU HG 3.50 (# 1304:25 Unique 2.34, 2.64 A)
&rst
ixpk= 1304, nxpk= 25, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 66 LEU MDX 66 LEU HG 3.50 (# 1305:25 Unique 2.34, 2.64 A)
&rst
ixpk= 1305, nxpk= 25, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 100 LEU HA 104 LEU HG 5.50 (# 1307:25 Unique 4.04, 4.16 A)
&rst
ixpk= 1307, nxpk= 25, iat=1509,1585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LEU HA 104 LEU HG 4.50 (# 1308:25 Unique 3.39, 3.83 A)
&rst
ixpk= 1308, nxpk= 25, iat=1528,1585, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 LEU HA 104 LEU HG 5.50 (# 1309:25 Unique 2.83, 2.89 A)
&rst
ixpk= 1309, nxpk= 25, iat=1580,1585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1310 104 LEU HG 5.50 (# 1310:25 Single Ambig)
&rst
ixpk= 1310, nxpk= 25, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 683,1604,1605,1604,1605,
&end
#
# 0 AMB 25-2:1311 104 LEU HG 3.50 (# 1311:25 Single Ambig)
&rst
ixpk= 1311, nxpk= 25, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1582,1583,1563,1564,
&end
#
# 104 LEU MDY 104 LEU HG 3.50 (# 1312:25 Unique 2.43, 2.66 A)
&rst
ixpk= 1312, nxpk= 25, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1587,1588,1589,1591,1592,1593,
&end
#
# 0 AMB 25-2:1313 104 LEU HG 3.50 (# 1313:25 Single Ambig)
&rst
ixpk= 1313, nxpk= 25, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1514,1582,1583,
&end
#
# 46 ALA MB 104 LEU HG 4.50 (# 1314:25 Unique 4.59, 5.41 A)
&rst
ixpk= 1314, nxpk= 25, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 706, 707, 708,
&end
#
# 0 AMB 25-2:1315 104 LEU HG 4.50 (# 1315:25 Single Ambig)
&rst
ixpk= 1315, nxpk= 25, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1535,1536,1537,1539,1540,1541, 338, 339, 340, 342,
343, 344,
&end
#
# 41 LEU MDX 104 LEU HG 4.50 (# 1316:25 Unique 4.62, 6.44 A)
&rst
ixpk= 1316, nxpk= 25, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 66 LEU MDX 66 LEU HA 2.50 (# 1317:25 Unique 2.15, 3.21 A)
&rst
ixpk= 1317, nxpk= 25, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 96 GLN HG- 96 GLN HA 4.50 (# 1318:25 Unique 2.42, 3.10 A)
&rst
ixpk= 1318, nxpk= 25, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1444,1445,
&end
#
# 103 LEU HA 103 LEU HG 4.50 (# 1319:25 Unique 3.22, 3.34 A)
&rst
ixpk= 1319, nxpk= 25, iat=1561,1566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 LEU HB+ 103 LEU HG 3.50 (# 1320:25 Unique 2.31, 2.70 A)
&rst
ixpk= 1320, nxpk= 25, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1563,1564,
&end
#
# 0 AMB 25-2:1321 103 LEU HG 4.50 (# 1321:25 Single Ambig)
&rst
ixpk= 1321, nxpk= 25, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1563,1564,1630,1631,1632,
&end
#
# 0 AMB 25-2:1322 0 AMB 25-1:1322 2.50 (# 1322:25 Double Ambig)
&rst
ixpk= 1322, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 788, 789, 790, 792, 793, 794, 868, 869, 870, 872,
873, 874,1568,1569,1570,1572,1573,1574,1568,1569,
1570,1572,1573,1574, 822, 823, 824, 826, 827, 828,
igr2= 266, 267, 268, 270, 271, 272, 866,1566,
&end
#
# 80 ILE HB 103 LEU HG 4.50 (# 1323:25 Unique 3.15, 3.51 A)
&rst
ixpk= 1323, nxpk= 25, iat=1213,1566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 LEU MDY 41 LEU HG 3.50 (# 1324:25 Unique 2.43, 2.66 A)
&rst
ixpk= 1324, nxpk= 25, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:1325 17 LEU HG 5.50 (# 1325:25 Single Ambig)
&rst
ixpk= 1325, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 190, 301, 302,
&end
#
# 0 AMB 25-2:1326 17 LEU HG 3.50 (# 1326:25 Single Ambig)
&rst
ixpk= 1326, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 259, 212,
&end
#
# 13 LYS QE 17 LEU HG 5.50 (# 1327:25 Unique 2.41, 4.52 A)
&rst
ixpk= 1327, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 201, 202,
&end
#
# 49 LYS HE- 17 LEU HG 4.50 (# 1328:25 Unique 4.47, 5.15 A)
&rst
ixpk= 1328, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 757, 758,
&end
#
# 17 LEU HB+ 17 LEU HG 3.50 (# 1329:25 Unique 2.56, 2.82 A)
&rst
ixpk= 1329, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 261, 262,
&end
#
# 17 LEU MDY 17 LEU HG 3.50 (# 1330:25 Unique 2.44, 2.66 A)
&rst
ixpk= 1330, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 266, 267, 268, 270, 271, 272,
&end
#
# 13 LYS HD- 17 LEU HG 4.50 (# 1331:25 Unique 2.71, 4.69 A)
&rst
ixpk= 1331, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 198, 199,
&end
#
# 13 LYS HG- 17 LEU HG 4.50 (# 1332:25 Unique 2.60, 3.50 A)
&rst
ixpk= 1332, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 195, 196,
&end
#
# 0 AMB 25-2:1333 17 LEU HG 5.50 (# 1333:25 Single Ambig)
&rst
ixpk= 1333, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 214, 215, 216, 224, 225,
&end
#
# 13 LYS HG+ 17 LEU HG 4.50 (# 1334:25 Unique 2.60, 3.50 A)
&rst
ixpk= 1334, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 195, 196,
&end
#
# 17 LEU HB- 17 LEU HG 3.50 (# 1335:25 Unique 2.56, 2.82 A)
&rst
ixpk= 1335, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 261, 262,
&end
#
# 51 VAL MGX 17 LEU HG 4.50 (# 1336:25 Unique 4.63, 5.75 A)
&rst
ixpk= 1336, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 788, 789, 790, 792, 793, 794,
&end
#
# 53 LEU HB- 53 LEU MDY 4.50 (# 1337:25 Unique 2.41, 3.35 A)
&rst
ixpk= 1337, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 817, 818,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 66 LEU MDY 62 LEU HG 5.50 (# 1338:25 Unique 4.70, 6.99 A)
&rst
ixpk= 1338, nxpk= 25, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 75 VAL MGY 75 VAL HA 2.50 (# 1339:25 Unique 2.29, 3.46 A)
&rst
ixpk= 1339, nxpk= 25, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1135,1136,1137,1139,1140,1141,
&end
#
# 101 LEU MDX 105 GLN HA 5.50 (# 1340:25 Unique 4.61, 7.06 A)
&rst
ixpk= 1340, nxpk= 25, iat= -1,1599, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1535,1536,1537,1539,1540,1541,
&end
#
# 110 THR MG2 105 GLN HA 4.50 (# 1341:25 Unique 2.97, 5.18 A)
&rst
ixpk= 1341, nxpk= 25, iat= -1,1599, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1662,1663,1664,
&end
#
# 43 GLN QB 40 LEU HA 3.50 (# 1342:25 Unique 2.62, 3.84 A)
&rst
ixpk= 1342, nxpk= 25, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 666, 667,
&end
#
# 0 AMB 25-2:1343 0 AMB 25-1:1343 2.50 (# 1343:25 Double Ambig)
&rst
ixpk= 1343, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 614, 615, 817, 818,
igr2= 612, 815,
&end
#
# 0 AMB 25-2:1344 0 AMB 25-1:1344 3.50 (# 1344:25 Double Ambig)
&rst
ixpk= 1344, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 619, 620, 621, 623, 624, 625, 940, 941,
igr2= 612, 938,
&end
#
# 40 LEU MDX 40 LEU HA 3.50 (# 1345:25 Unique 2.27, 3.93 A)
&rst
ixpk= 1345, nxpk= 25, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 25-2:1346 0 AMB 25-1:1346 4.50 (# 1346:25 Double Ambig)
&rst
ixpk= 1346, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 617,1002,1003,1004,1006,1007,1008,
igr2= 612, 938,
&end
#
# 38 LYS HD- 38 LYS HG- 5.50 (# 1348:25 Unique 2.35, 2.61 A)
&rst
ixpk= 1348, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 581, 582,
igr2= 578, 579,
&end
#
# 0 AMB 25-2:1350 62 LEU HG 4.50 (# 1350:25 Single Ambig)
&rst
ixpk= 1350, nxpk= 25, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 938, 815,
&end
#
# 0 AMB 25-2:1351 0 AMB 25-1:1351 5.50 (# 1351:25 Double Ambig)
&rst
ixpk= 1351, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1= 212,1580, 957,
igr2= 943,1516,1517,1518,1520,1521,1522,
&end
#
# 59 GLY HA+ 62 LEU HG 4.50 (# 1352:25 Unique 3.52, 4.92 A)
&rst
ixpk= 1352, nxpk= 25, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 903, 904,
&end
#
# 0 AMB 25-2:1353 100 LEU MDY 4.50 (# 1353:25 Single Ambig)
&rst
ixpk= 1353, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1411,1412,1411,1412,
igr2=1516,1517,1518,1520,1521,1522,
&end
#
# 0 AMB 25-2:1354 0 AMB 25-1:1354 3.50 (# 1354:25 Double Ambig)
&rst
ixpk= 1354, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 940, 941,1355,1402,1403,
igr2= 943,1516,1517,1518,1520,1521,1522,
&end
#
# 0 AMB 25-2:1355 62 LEU HG 4.50 (# 1355:25 Single Ambig)
&rst
ixpk= 1355, nxpk= 25, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 866, 266, 267, 268, 270, 271, 272,
&end
#
# 0 AMB 25-2:1356 0 AMB 25-1:1356 2.50 (# 1356:25 Double Ambig)
&rst
ixpk= 1356, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1587,1588,1589,1591,1592,1593, 945, 946, 947, 949,
950, 951,
igr2=1516,1517,1518,1520,1521,1522, 943,
&end
#
# 53 LEU MDX 62 LEU HG 3.50 (# 1357:25 Unique 2.66, 4.83 A)
&rst
ixpk= 1357, nxpk= 25, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 58 ASP HB+ 62 LEU HG 5.50 (# 1358:25 Unique 4.21, 5.90 A)
&rst
ixpk= 1358, nxpk= 25, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 893, 894,
&end
#
# 44 VAL HB 100 LEU MDY 5.50 (# 1359:25 Unique 3.86, 7.20 A)
&rst
ixpk= 1359, nxpk= 25, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1516,1517,1518,1520,1521,1522,
&end
#
# 0 AMB 25-2:1360 0 AMB 25-1:1360 2.50 (# 1360:25 Double Ambig)
&rst
ixpk= 1360, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 940, 941,1511,1512,
igr2= 943,1516,1517,1518,1520,1521,1522,
&end
#
# 41 LEU HA 41 LEU MDY 4.50 (# 1361:25 Unique 2.15, 3.85 A)
&rst
ixpk= 1361, nxpk= 25, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 38 LYS HA 41 LEU MDY 5.50 (# 1362:25 Unique 2.92, 5.22 A)
&rst
ixpk= 1362, nxpk= 25, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 48 TYR HB+ 41 LEU MDY 5.50 (# 1363:25 Unique 2.34, 4.52 A)
&rst
ixpk= 1363, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 727, 728,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:1364 41 LEU MDY 5.50 (# 1364:25 Single Ambig)
&rst
ixpk= 1364, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1355, 559, 368,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:1365 41 LEU MDY 3.50 (# 1365:25 Single Ambig)
&rst
ixpk= 1365, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 636, 614, 615,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:1366 41 LEU MDY 3.50 (# 1366:25 Single Ambig)
&rst
ixpk= 1366, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 633, 634, 706, 707, 708, 619, 620, 621, 623, 624,
625,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:1367 41 LEU MDY 4.50 (# 1367:25 Single Ambig)
&rst
ixpk= 1367, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
1184,1185,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:1368 41 LEU MDY 2.50 (# 1368:25 Single Ambig)
&rst
ixpk= 1368, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 561, 562, 563, 565, 566, 567, 338, 339, 340, 342,
343, 344, 633, 634,1516,1517,1518,1520,1521,1522,
685, 686, 687, 689, 690, 691,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:1369 41 LEU MDY 3.50 (# 1369:25 Single Ambig)
&rst
ixpk= 1369, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 370, 371, 372, 374, 375, 376, 619, 620, 621, 623,
624, 625,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 77 ASN HB+ 75 VAL HA 5.50 (# 1371:25 Unique 2.85, 3.74 A)
&rst
ixpk= 1371, nxpk= 25, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1163,1164,
&end
#
# 0 AMB 25-2:1372 75 VAL HA 5.50 (# 1372:25 Single Ambig)
&rst
ixpk= 1372, nxpk= 25, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1152,1153, 384, 385,1094,1095, 424, 425,
&end
#
# 75 VAL HB 75 VAL HA 3.50 (# 1373:25 Unique 2.48, 2.53 A)
&rst
ixpk= 1373, nxpk= 25, iat=1133,1131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 GLY HA+ 53 LEU HA 5.50 (# 1374:25 Unique 2.60, 3.58 A)
&rst
ixpk= 1374, nxpk= 25, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 903, 904,
&end
#
# 53 LEU MDX 53 LEU HA 2.50 (# 1375:25 Unique 2.13, 3.84 A)
&rst
ixpk= 1375, nxpk= 25, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 25-2:1376 0 AMB 25-1:1376 2.50 (# 1376:25 Double Ambig)
&rst
ixpk= 1376, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 945, 946, 947, 949, 950, 951, 868, 869, 870, 872,
873, 874,
igr2= 938, 815,
&end
#
# 11 LEU QB 11 LEU HA 2.50 (# 1377:25 Unique 2.32, 2.71 A)
&rst
ixpk= 1377, nxpk= 25, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 151, 152,
&end
#
# 53 LEU HA 53 LEU MDY 3.50 (# 1381:25 Unique 2.13, 3.84 A)
&rst
ixpk= 1381, nxpk= 25, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 25-2:1382 53 LEU MDY 3.50 (# 1382:25 Single Ambig)
&rst
ixpk= 1382, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 384, 385, 424, 425,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 25-2:1383 53 LEU MDY 2.50 (# 1383:25 Single Ambig)
&rst
ixpk= 1383, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 959, 960, 820,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 25-2:1384 53 LEU MDY 2.50 (# 1384:25 Single Ambig)
&rst
ixpk= 1384, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 817, 818, 863, 864,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 66 LEU MDY 53 LEU MDY 4.50 (# 1386:25 Unique 2.89, 6.42 A)
&rst
ixpk= 1386, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 25-2:1388 56 LEU MDY 3.50 (# 1388:25 Single Ambig)
&rst
ixpk= 1388, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 815, 882, 883, 784,
igr2= 868, 869, 870, 872, 873, 874,
&end
#
# 0 AMB 25-2:1389 56 LEU MDY 3.50 (# 1389:25 Single Ambig)
&rst
ixpk= 1389, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 866, 266, 267, 268, 270, 271, 272,
igr2= 868, 869, 870, 872, 873, 874,
&end
#
# 0 AMB 25-2:1390 56 LEU MDY 3.50 (# 1390:25 Single Ambig)
&rst
ixpk= 1390, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 863, 864, 945, 946, 947, 949, 950, 951,
igr2= 868, 869, 870, 872, 873, 874,
&end
#
# 56 LEU HB- 56 LEU MDY 3.50 (# 1391:25 Unique 2.40, 3.34 A)
&rst
ixpk= 1391, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 863, 864,
igr2= 868, 869, 870, 872, 873, 874,
&end
#
# 53 LEU MDX 56 LEU MDY 3.50 (# 1392:25 Unique 2.38, 6.47 A)
&rst
ixpk= 1392, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 822, 823, 824, 826, 827, 828,
igr2= 868, 869, 870, 872, 873, 874,
&end
#
# 51 VAL MGX 56 LEU MDY 4.50 (# 1393:25 Unique 2.40, 5.66 A)
&rst
ixpk= 1393, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 788, 789, 790, 792, 793, 794,
igr2= 868, 869, 870, 872, 873, 874,
&end
#
# 59 GLY HA+ 56 LEU MDY 5.50 (# 1394:25 Unique 2.27, 5.20 A)
&rst
ixpk= 1394, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 903, 904,
igr2= 868, 869, 870, 872, 873, 874,
&end
#
# 100 LEU HA 100 LEU MDY 4.50 (# 1395:25 Unique 2.21, 3.88 A)
&rst
ixpk= 1395, nxpk= 25, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1516,1517,1518,1520,1521,1522,
&end
#
# 95 HIS HB- 100 LEU MDY 4.50 (# 1396:25 Unique 2.24, 4.97 A)
&rst
ixpk= 1396, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1424,1425,
igr2=1516,1517,1518,1520,1521,1522,
&end
#
# 95 HIS HB+ 100 LEU MDY 4.50 (# 1397:25 Unique 2.24, 4.97 A)
&rst
ixpk= 1397, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1424,1425,
igr2=1516,1517,1518,1520,1521,1522,
&end
#
# 100 LEU HB+ 100 LEU MDY 3.50 (# 1398:25 Unique 2.40, 3.32 A)
&rst
ixpk= 1398, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1511,1512,
igr2=1516,1517,1518,1520,1521,1522,
&end
#
# 0 AMB 25-2:1399 100 LEU MDY 2.50 (# 1399:25 Single Ambig)
&rst
ixpk= 1399, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1514,1563,1564,
igr2=1516,1517,1518,1520,1521,1522,
&end
#
# 41 LEU MDX 100 LEU MDY 3.50 (# 1400:25 Unique 2.47, 6.06 A)
&rst
ixpk= 1400, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 638, 639, 640, 642, 643, 644,
igr2=1516,1517,1518,1520,1521,1522,
&end
#
# 48 TYR HB- 41 LEU MDY 5.50 (# 1401:25 Unique 2.34, 4.52 A)
&rst
ixpk= 1401, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 727, 728,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 17 LEU HB+ 17 LEU HA 4.50 (# 1402:25 Unique 2.57, 2.81 A)
&rst
ixpk= 1402, nxpk= 25, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 261, 262,
&end
#
# 17 LEU MDY 17 LEU HA 4.50 (# 1403:25 Unique 2.18, 3.88 A)
&rst
ixpk= 1403, nxpk= 25, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 266, 267, 268, 270, 271, 272,
&end
#
# 17 LEU HB- 17 LEU HA 4.50 (# 1404:25 Unique 2.57, 2.81 A)
&rst
ixpk= 1404, nxpk= 25, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 261, 262,
&end
#
# 17 LEU MDX 17 LEU HA 2.50 (# 1405:25 Unique 2.18, 3.88 A)
&rst
ixpk= 1405, nxpk= 25, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 266, 267, 268, 270, 271, 272,
&end
#
# 20 SER HB+ 17 LEU HA 3.50 (# 1406:25 Unique 2.66, 3.58 A)
&rst
ixpk= 1406, nxpk= 25, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 301, 302,
&end
#
# 0 AMB 25-2:1407 0 AMB 25-1:1407 2.50 (# 1407:25 Double Ambig)
&rst
ixpk= 1407, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 987, 988, 989,1582,1583,
igr2= 149,1580,
&end
#
# 49 LYS HE+ 49 LYS HG+ 5.50 (# 1409:25 Unique 2.42, 3.24 A)
&rst
ixpk= 1409, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 757, 758,
igr2= 751, 752,
&end
#
# 66 LEU MDX 53 LEU MDY 5.50 (# 1410:25 Unique 2.89, 6.42 A)
&rst
ixpk= 1410, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 25-2:1411 0 AMB 25-1:1411 2.50 (# 1411:25 Double Ambig)
&rst
ixpk= 1411, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 233, 234, 817, 818,
igr2= 156, 157, 158, 160, 161, 162, 822, 823, 824, 826,
827, 828,
&end
#
# 0 AMB 25-2:1414 56 LEU MDY 5.50 (# 1414:25 Single Ambig)
&rst
ixpk= 1414, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 201, 202, 893, 894,
igr2= 868, 869, 870, 872, 873, 874,
&end
#
# 106 ASP HB+ 103 LEU HA 3.50 (# 1417:25 Unique 2.36, 3.08 A)
&rst
ixpk= 1417, nxpk= 25, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1618,1619,
&end
#
# 0 AMB 25-2:1418 0 AMB 25-1:1418 5.50 (# 1418:25 Double Ambig)
&rst
ixpk= 1418, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 117,1628,1660,1555,
igr2= 149,1580,
&end
#
# 104 LEU HB+ 104 LEU HA 4.50 (# 1419:25 Unique 2.55, 2.81 A)
&rst
ixpk= 1419, nxpk= 25, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1582,1583,
&end
#
# 0 AMB 25-2:1420 104 LEU HA 2.50 (# 1420:25 Single Ambig)
&rst
ixpk= 1420, nxpk= 25, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=1587,1588,1589,1591,1592,1593,1585,
&end
#
# 41 LEU MDY 41 LEU HA 4.50 (# 1422:25 Unique 2.15, 3.85 A)
&rst
ixpk= 1422, nxpk= 25, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 41 LEU HG 41 LEU HA 3.50 (# 1423:25 Unique 2.61, 2.89 A)
&rst
ixpk= 1423, nxpk= 25, iat= 636, 631, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:1424 41 LEU HA 3.50 (# 1424:25 Single Ambig)
&rst
ixpk= 1424, nxpk= 25, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 619, 620, 621, 623, 624, 625, 706, 707, 708,
&end
#
# 0 AMB 25-2:1425 41 LEU HA 3.50 (# 1425:25 Single Ambig)
&rst
ixpk= 1425, nxpk= 25, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
690, 691, 633, 634,
&end
#
# 41 LEU MDX 41 LEU HA 3.50 (# 1426:25 Unique 2.15, 3.85 A)
&rst
ixpk= 1426, nxpk= 25, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:1429 94 LYS QG 2.50 (# 1429:25 Single Ambig)
&rst
ixpk= 1429, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=1408,1409,1402,1403,
igr2=1405,1406,
&end
#
# 85 ILE MG2 94 LYS QG 5.50 (# 1430:25 Unique 4.88, 5.74 A)
&rst
ixpk= 1430, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1287,1288,1289,
igr2=1405,1406,
&end
#
# 94 LYS HA 94 LYS QG 3.50 (# 1431:25 Unique 2.39, 2.71 A)
&rst
ixpk= 1431, nxpk= 25, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1405,1406,
&end
#
# 0 AMB 25-2:1432 94 LYS QG 3.50 (# 1432:25 Single Ambig)
&rst
ixpk= 1432, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1411,1412,1411,1412,
igr2=1405,1406,
&end
#
# 0 AMB 25-2:1433 94 LYS QG 4.50 (# 1433:25 Single Ambig)
&rst
ixpk= 1433, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1496,1497,1387,1388,
igr2=1405,1406,
&end
#
# 94 LYS HB+ 94 LYS QG 3.50 (# 1434:25 Unique 2.43, 2.78 A)
&rst
ixpk= 1434, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1402,1403,
igr2=1405,1406,
&end
#
# 0 AMB 25-2:1435 94 LYS QG 4.50 (# 1435:25 Single Ambig)
&rst
ixpk= 1435, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
1362,1363,1357,1358,1359,1361,1362,1363,
igr2=1405,1406,
&end
#
# 49 LYS HE+ 49 LYS HG- 5.50 (# 1436:25 Unique 2.42, 3.24 A)
&rst
ixpk= 1436, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 757, 758,
igr2= 751, 752,
&end
#
# 51 VAL MGX 49 LYS HG- 5.50 (# 1437:25 Unique 2.65, 5.79 A)
&rst
ixpk= 1437, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 788, 789, 790, 792, 793, 794,
igr2= 751, 752,
&end
#
# 49 LYS HE- 49 LYS HG+ 5.50 (# 1438:25 Unique 2.42, 3.24 A)
&rst
ixpk= 1438, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 757, 758,
igr2= 751, 752,
&end
#
# 49 LYS QD 49 LYS HG+ 3.50 (# 1439:25 Unique 2.38, 2.77 A)
&rst
ixpk= 1439, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 754, 755,
igr2= 751, 752,
&end
#
# 24 VAL MGX 49 LYS HG+ 5.50 (# 1440:25 Unique 2.78, 5.39 A)
&rst
ixpk= 1440, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 354, 355, 356, 358, 359, 360,
igr2= 751, 752,
&end
#
# 0 AMB 25-2:1441 0 AMB 25-1:1441 3.50 (# 1441:25 Double Ambig)
&rst
ixpk= 1441, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1549,1550,1563,1564,1744,1745,
igr2=1766,1767,1768,1770,1771,1772,1568,1569,1570,1572,
1573,1574,
&end
#
# 0 AMB 25-2:1442 103 LEU MDY 3.50 (# 1442:25 Single Ambig)
&rst
ixpk= 1442, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1294,1295,1296,1222,1223,1224,1287,1288,1289,
igr2=1568,1569,1570,1572,1573,1574,
&end
#
# 0 AMB 25-2:1443 0 AMB 25-1:1443 2.50 (# 1443:25 Double Ambig)
&rst
ixpk= 1443, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1759,1561,
igr2=1766,1767,1768,1770,1771,1772,1568,1569,1570,1572,
1573,1574,
&end
#
# 0 AMB 25-2:1444 0 AMB 25-1:1444 2.50 (# 1444:25 Double Ambig)
&rst
ixpk= 1444, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 233, 234,1549,1550,1566, 866,
igr2= 156, 157, 158, 160, 161, 162,1766,1767,1768,1770,
1771,1772,1568,1569,1570,1572,1573,1574, 822, 823,
824, 826, 827, 828,
&end
#
# 0 AMB 25-2:1445 0 AMB 25-1:1445 3.50 (# 1445:25 Double Ambig)
&rst
ixpk= 1445, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 957, 149,
igr2= 822, 823, 824, 826, 827, 828, 156, 157, 158, 160,
161, 162,
&end
#
# 0 AMB 25-2:1446 0 AMB 25-1:1446 5.50 (# 1446:25 Double Ambig)
&rst
ixpk= 1446, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 903, 904, 168,
igr2= 822, 823, 824, 826, 827, 828, 156, 157, 158, 160,
161, 162,
&end
#
# 0 AMB 25-2:1447 0 AMB 25-1:1447 2.50 (# 1447:25 Double Ambig)
&rst
ixpk= 1447, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1043,1044, 384, 385,
igr2= 156, 157, 158, 160, 161, 162, 822, 823, 824, 826,
827, 828,
&end
#
# 0 AMB 25-2:1448 0 AMB 25-1:1448 2.50 (# 1448:25 Double Ambig)
&rst
ixpk= 1448, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 151, 152, 863, 864,
igr2= 156, 157, 158, 160, 161, 162, 822, 823, 824, 826,
827, 828,
&end
#
# 0 AMB 25-2:1449 11 LEU MDX 2.50 (# 1449:25 Single Ambig)
&rst
ixpk= 1449, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 154, 173, 174, 214, 215, 216,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 0 AMB 25-2:1452 8 ASP HA 4.50 (# 1452:25 Single Ambig)
&rst
ixpk= 1452, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 129, 44, 83,
&end
#
# 8 ASP HB+ 8 ASP HA 3.50 (# 1453:25 Unique 2.41, 2.74 A)
&rst
ixpk= 1453, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 119, 120,
&end
#
# 8 ASP HB- 8 ASP HA 3.50 (# 1454:25 Unique 2.41, 2.74 A)
&rst
ixpk= 1454, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 119, 120,
&end
#
# 11 LEU QB 8 ASP HA 3.50 (# 1455:25 Unique 2.24, 2.92 A)
&rst
ixpk= 1455, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 151, 152,
&end
#
# 0 AMB 25-2:1456 8 ASP HA 4.50 (# 1456:25 Single Ambig)
&rst
ixpk= 1456, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 173, 174, 987, 988, 989, 49, 50,
&end
#
# 11 LEU MDX 8 ASP HA 4.50 (# 1457:25 Unique 3.25, 4.74 A)
&rst
ixpk= 1457, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 103 LEU HB+ 103 LEU HA 3.50 (# 1458:25 Unique 2.41, 2.75 A)
&rst
ixpk= 1458, nxpk= 25, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1563,1564,
&end
#
# 0 AMB 25-2:1459 0 AMB 25-1:1459 3.50 (# 1459:25 Double Ambig)
&rst
ixpk= 1459, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1566, 923, 924,
igr2=1561, 98,
&end
#
# 0 AMB 25-2:1460 103 LEU HA 3.50 (# 1460:25 Single Ambig)
&rst
ixpk= 1460, nxpk= 25, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
1573,1574,
&end
#
# 7 LEU QB 7 LEU HA 2.50 (# 1461:25 Unique 2.41, 2.77 A)
&rst
ixpk= 1461, nxpk= 25, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 100, 101,
&end
#
# 0 AMB 25-2:1462 7 LEU HA 3.50 (# 1462:25 Single Ambig)
&rst
ixpk= 1462, nxpk= 25, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 141, 142, 143, 987, 988, 989,
&end
#
# 7 LEU MDY 7 LEU HA 2.50 (# 1463:25 Unique 2.20, 3.82 A)
&rst
ixpk= 1463, nxpk= 25, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 105, 106, 107, 109, 110, 111,
&end
#
# 99 GLU HB- 94 LYS QG 4.50 (# 1468:25 Unique 3.01, 4.64 A)
&rst
ixpk= 1468, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1496,1497,
igr2=1405,1406,
&end
#
# 91 VAL HA 94 LYS QG 5.50 (# 1469:25 Unique 3.78, 4.53 A)
&rst
ixpk= 1469, nxpk= 25, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1405,1406,
&end
#
# 13 LYS QE 13 LYS HG- 5.50 (# 1471:25 Unique 2.41, 3.04 A)
&rst
ixpk= 1471, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 201, 202,
igr2= 195, 196,
&end
#
# 17 LEU MDX 13 LYS HG- 4.50 (# 1473:25 Unique 2.40, 4.57 A)
&rst
ixpk= 1473, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 266, 267, 268, 270, 271, 272,
igr2= 195, 196,
&end
#
# 49 LYS HE- 49 LYS HG- 4.50 (# 1476:25 Unique 2.42, 3.24 A)
&rst
ixpk= 1476, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 757, 758,
igr2= 751, 752,
&end
#
# 49 LYS HE+ 49 LYS HG+ 5.50 (# 1480:25 Unique 2.42, 3.24 A)
&rst
ixpk= 1480, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 757, 758,
igr2= 751, 752,
&end
#
# 51 VAL MGX 49 LYS HG+ 5.50 (# 1481:25 Unique 2.65, 5.79 A)
&rst
ixpk= 1481, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 788, 789, 790, 792, 793, 794,
igr2= 751, 752,
&end
#
# 105 GLN HG- 117 LEU MDX 5.50 (# 1482:25 Unique 2.36, 6.57 A)
&rst
ixpk= 1482, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1604,1605,
igr2=1766,1767,1768,1770,1771,1772,
&end
#
# 40 LEU HA 40 LEU HG 4.50 (# 1483:25 Unique 2.61, 2.96 A)
&rst
ixpk= 1483, nxpk= 25, iat= 612, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 LEU HA 40 LEU HG 4.50 (# 1484:25 Unique 4.06, 4.17 A)
&rst
ixpk= 1484, nxpk= 25, iat= 631, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 VAL HA 40 LEU HG 4.50 (# 1485:25 Unique 4.52, 4.54 A)
&rst
ixpk= 1485, nxpk= 25, iat=1369, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 HIS HB+ 40 LEU HG 4.50 (# 1486:25 Unique 3.27, 3.86 A)
&rst
ixpk= 1486, nxpk= 25, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1424,1425,
&end
#
# 43 GLN QB 40 LEU HG 5.50 (# 1488:25 Unique 4.36, 5.55 A)
&rst
ixpk= 1488, nxpk= 25, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 666, 667,
&end
#
# 0 AMB 25-2:1489 40 LEU HG 4.50 (# 1489:25 Single Ambig)
&rst
ixpk= 1489, nxpk= 25, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1355, 597, 598,
&end
#
# 40 LEU QB 40 LEU HG 2.50 (# 1490:25 Unique 2.58, 2.82 A)
&rst
ixpk= 1490, nxpk= 25, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 614, 615,
&end
#
# 40 LEU MDY 40 LEU HG 3.50 (# 1491:25 Unique 2.41, 2.65 A)
&rst
ixpk= 1491, nxpk= 25, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 25-2:1492 40 LEU HG 4.50 (# 1492:25 Single Ambig)
&rst
ixpk= 1492, nxpk= 25, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1373,1374,1375,1377,1378,1379, 561, 562, 563, 565,
566, 567,
&end
#
# 0 AMB 25-2:1493 40 LEU HG 3.50 (# 1493:25 Single Ambig)
&rst
ixpk= 1493, nxpk= 25, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1516,1517,1518,1520,1521,1522, 685, 686, 687, 689,
690, 691,1357,1358,1359,1361,1362,1363,
&end
#
# 89 ASP HB+ 89 ASP HA 3.50 (# 1494:25 Unique 2.44, 2.75 A)
&rst
ixpk= 1494, nxpk= 25, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1329,1330,
&end
#
# 89 ASP HB- 89 ASP HA 3.50 (# 1495:25 Unique 2.44, 2.75 A)
&rst
ixpk= 1495, nxpk= 25, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1329,1330,
&end
#
# 0 AMB 25-2:1496 0 AMB 25-1:1496 2.50 (# 1496:25 Double Ambig)
&rst
ixpk= 1496, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1563,1564,1371,
igr2=1509,1327,
&end
#
# 0 AMB 25-2:1497 100 LEU HA 3.50 (# 1497:25 Single Ambig)
&rst
ixpk= 1497, nxpk= 25, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1563,1564,1514,
&end
#
# 100 LEU HB- 100 LEU HA 4.50 (# 1498:25 Unique 2.48, 2.79 A)
&rst
ixpk= 1498, nxpk= 25, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1511,1512,
&end
#
# 0 AMB 25-2:1499 0 AMB 25-1:1499 3.50 (# 1499:25 Double Ambig)
&rst
ixpk= 1499, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1373,1374,1375,1377,1378,1379,1568,1569,1570,1572,
1573,1574,
igr2=1327,1509,
&end
#
# 100 LEU MDX 100 LEU HA 3.50 (# 1500:25 Unique 2.21, 3.88 A)
&rst
ixpk= 1500, nxpk= 25, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1516,1517,1518,1520,1521,1522,
&end
#
# 0 AMB 25-2:1501 100 LEU HA 5.50 (# 1501:25 Single Ambig)
&rst
ixpk= 1501, nxpk= 25, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1=1587,1588,1589,1591,1592,1593,1530,1531,1291,1292,
1533,
&end
#
# 84 GLN HG+ 84 GLN HA 4.50 (# 1502:25 Unique 2.29, 3.01 A)
&rst
ixpk= 1502, nxpk= 25, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1271,1272,
&end
#
# 85 ILE MD1 84 GLN HA 5.50 (# 1503:25 Unique 3.87, 5.29 A)
&rst
ixpk= 1503, nxpk= 25, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1294,1295,1296,
&end
#
# 84 GLN HB+ 84 GLN HA 4.50 (# 1504:25 Unique 2.35, 2.81 A)
&rst
ixpk= 1504, nxpk= 25, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1268,1269,
&end
#
# 84 GLN HB- 84 GLN HA 4.50 (# 1505:25 Unique 2.35, 2.81 A)
&rst
ixpk= 1505, nxpk= 25, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1268,1269,
&end
#
# 13 LYS HA 13 LYS HG- 4.50 (# 1511:25 Unique 2.36, 3.07 A)
&rst
ixpk= 1511, nxpk= 25, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 195, 196,
&end
#
# 12 LYS HA 12 LYS HG+ 4.50 (# 1513:25 Unique 2.44, 2.78 A)
&rst
ixpk= 1513, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 173, 174,
&end
#
# 0 AMB 25-2:1514 0 AMB 25-1:1514 3.50 (# 1514:25 Double Ambig)
&rst
ixpk= 1514, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1693,1694, 179, 180,
igr2=1687,1688, 173, 174,
&end
#
# 0 AMB 25-2:1516 0 AMB 25-1:1516 5.50 (# 1516:25 Double Ambig)
&rst
ixpk= 1516, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 156, 157, 158, 160, 161, 162, 105, 106, 107, 109,
110, 111,
igr2= 173, 174, 49, 50,
&end
#
# 13 LYS HA 0 AMB 25-1:1517 4.50 (# 1517:25 Single Ambig)
&rst
ixpk= 1517, nxpk= 25, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 195, 196, 173, 174,
&end
#
# 12 LYS HA 12 LYS HG- 4.50 (# 1518:25 Unique 2.44, 2.78 A)
&rst
ixpk= 1518, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 173, 174,
&end
#
# 12 LYS QE 12 LYS HG- 3.50 (# 1519:25 Unique 2.37, 3.05 A)
&rst
ixpk= 1519, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 179, 180,
igr2= 173, 174,
&end
#
# 0 AMB 25-2:1520 0 AMB 25-1:1520 2.50 (# 1520:25 Double Ambig)
&rst
ixpk= 1520, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 170, 171, 192, 193, 945, 946, 947, 949, 950, 951,
igr2= 173, 174, 195, 196, 195, 196,
&end
#
# 12 LYS QD 12 LYS HG- 2.50 (# 1521:25 Unique 2.37, 2.74 A)
&rst
ixpk= 1521, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 176, 177,
igr2= 173, 174,
&end
#
# 15 LYS HG- 12 LYS HG- 5.50 (# 1523:25 Unique 3.91, 6.46 A)
&rst
ixpk= 1523, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 227, 228,
igr2= 173, 174,
&end
#
# 0 AMB 25-2:1525 37 VAL MGY 3.50 (# 1525:25 Single Ambig)
&rst
ixpk= 1525, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 508,1146,1147,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 37 VAL HA 37 VAL MGY 2.50 (# 1526:25 Unique 2.32, 3.13 A)
&rst
ixpk= 1526, nxpk= 25, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 38 LYS HA 37 VAL MGY 5.50 (# 1527:25 Unique 3.42, 5.59 A)
&rst
ixpk= 1527, nxpk= 25, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 91 VAL HA 37 VAL MGY 5.50 (# 1528:25 Unique 6.17, 7.31 A)
&rst
ixpk= 1528, nxpk= 25, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 88 CYS HB+ 37 VAL MGY 4.50 (# 1529:25 Unique 2.37, 5.03 A)
&rst
ixpk= 1529, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1318,1319,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 76 PRO HB+ 37 VAL MGY 4.50 (# 1530:25 Unique 2.68, 4.58 A)
&rst
ixpk= 1530, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1152,1153,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 88 CYS HB- 37 VAL MGY 4.50 (# 1531:25 Unique 2.37, 5.03 A)
&rst
ixpk= 1531, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1318,1319,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 37 VAL HB 37 VAL MGY 2.50 (# 1533:25 Unique 2.43, 2.67 A)
&rst
ixpk= 1533, nxpk= 25, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 0 AMB 25-2:1534 37 VAL MGY 2.50 (# 1534:25 Single Ambig)
&rst
ixpk= 1534, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1149,1150,1152,1153,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 0 AMB 25-2:1535 37 VAL MGY 3.50 (# 1535:25 Single Ambig)
&rst
ixpk= 1535, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 636, 614, 615,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 40 LEU MDX 37 VAL MGY 3.50 (# 1538:25 Unique 3.75, 7.00 A)
&rst
ixpk= 1538, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 619, 620, 621, 623, 624, 625,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 35 ASN HA 37 VAL MGY 5.50 (# 1540:25 Unique 6.61, 7.50 A)
&rst
ixpk= 1540, nxpk= 25, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 49 LYS HE+ 49 LYS HG+ 5.50 (# 1541:25 Unique 2.42, 3.24 A)
&rst
ixpk= 1541, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 757, 758,
igr2= 751, 752,
&end
#
# 0 AMB 25-2:1547 76 PRO QG 4.50 (# 1547:25 Single Ambig)
&rst
ixpk= 1547, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 508,1146,1147,
igr2=1149,1150,
&end
#
# 0 AMB 25-2:1548 76 PRO QG 4.50 (# 1548:25 Single Ambig)
&rst
ixpk= 1548, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1146,1147, 510, 511,
igr2=1149,1150,
&end
#
# 76 PRO HB+ 76 PRO QG 4.50 (# 1549:25 Unique 2.32, 2.62 A)
&rst
ixpk= 1549, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1152,1153,
igr2=1149,1150,
&end
#
# 37 VAL MGY 76 PRO QG 3.50 (# 1550:25 Unique 2.32, 4.17 A)
&rst
ixpk= 1550, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 561, 562, 563, 565, 566, 567,
igr2=1149,1150,
&end
#
# 0 AMB 25-2:1551 76 PRO QG 5.50 (# 1551:25 Single Ambig)
&rst
ixpk= 1551, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1318,1319, 404, 405,
igr2=1149,1150,
&end
#
# 0 AMB 25-2:1554 0 AMB 25-1:1554 3.50 (# 1554:25 Double Ambig)
&rst
ixpk= 1554, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1255,1256, 55, 56,
igr2=1249,1250, 49, 50,
&end
#
# 85 ILE HA 83 LYS QG 4.50 (# 1555:25 Unique 4.00, 5.36 A)
&rst
ixpk= 1555, nxpk= 25, iat=1283, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1249,1250,
&end
#
# 0 AMB 25-2:1556 0 AMB 25-1:1556 2.50 (# 1556:25 Double Ambig)
&rst
ixpk= 1556, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=1246,1247, 46, 47,
igr2=1249,1250, 49, 50,
&end
#
# 0 AMB 25-2:1557 0 AMB 25-1:1557 2.50 (# 1557:25 Double Ambig)
&rst
ixpk= 1557, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=1252,1253, 52, 53,
igr2=1249,1250, 49, 50,
&end
#
# 7 LEU MDX 4 LYS HG+ 5.50 (# 1559:25 Unique 3.15, 7.26 A)
&rst
ixpk= 1559, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 105, 106, 107, 109, 110, 111,
igr2= 49, 50,
&end
#
# 85 ILE MD1 83 LYS QG 4.50 (# 1560:25 Unique 2.53, 4.65 A)
&rst
ixpk= 1560, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1294,1295,1296,
igr2=1249,1250,
&end
#
# 0 AMB 25-2:1561 0 AMB 25-1:1561 4.50 (# 1561:25 Double Ambig)
&rst
ixpk= 1561, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 44, 190,
igr2= 49, 50, 173, 174,
&end
#
# 0 AMB 25-2:1562 0 AMB 25-1:1562 2.50 (# 1562:25 Double Ambig)
&rst
ixpk= 1562, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=1690,1691, 52, 53,
igr2=1687,1688, 49, 50,
&end
#
# 33 TYR HB- 37 VAL MGY 5.50 (# 1564:25 Unique 3.98, 6.89 A)
&rst
ixpk= 1564, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 489, 490,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 38 LYS HG+ 35 ASN HA 5.50 (# 1565:25 Unique 2.71, 4.35 A)
&rst
ixpk= 1565, nxpk= 25, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 578, 579,
&end
#
# 0 AMB 25-2:1566 35 ASN HA 5.50 (# 1566:25 Single Ambig)
&rst
ixpk= 1566, nxpk= 25, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 508, 480, 481, 595,
&end
#
# 35 ASN HB- 35 ASN HA 2.50 (# 1567:25 Unique 2.25, 2.71 A)
&rst
ixpk= 1567, nxpk= 25, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 521, 522,
&end
#
# 38 LYS HD+ 35 ASN HA 3.50 (# 1568:25 Unique 2.34, 3.36 A)
&rst
ixpk= 1568, nxpk= 25, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 581, 582,
&end
#
# 38 LYS HG- 76 PRO QG 5.50 (# 1569:25 Unique 5.95, 7.44 A)
&rst
ixpk= 1569, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 578, 579,
igr2=1149,1150,
&end
#
# 37 VAL MGX 76 PRO QG 5.50 (# 1570:25 Unique 2.32, 4.17 A)
&rst
ixpk= 1570, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 561, 562, 563, 565, 566, 567,
igr2=1149,1150,
&end
#
# 0 AMB 25-2:1573 104 LEU MDX 5.50 (# 1573:25 Single Ambig)
&rst
ixpk= 1573, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 727, 728,1604,1605,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 41 LEU MDX 104 LEU MDX 3.50 (# 1574:25 Unique 2.50, 5.54 A)
&rst
ixpk= 1574, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 638, 639, 640, 642, 643, 644,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 66 LEU HA 66 LEU MDY 4.50 (# 1577:25 Unique 2.15, 3.21 A)
&rst
ixpk= 1577, nxpk= 25, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 25-2:1578 66 LEU MDY 3.50 (# 1578:25 Single Ambig)
&rst
ixpk= 1578, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 957, 212,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 77 ASN HB- 66 LEU MDY 5.50 (# 1579:25 Unique 2.76, 5.50 A)
&rst
ixpk= 1579, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1163,1164,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 25-2:1580 66 LEU MDY 4.50 (# 1580:25 Single Ambig)
&rst
ixpk= 1580, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 820, 261, 262, 959, 960,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 25-2:1581 66 LEU MDY 3.50 (# 1581:25 Single Ambig)
&rst
ixpk= 1581, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 997, 998, 940, 941,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 62 LEU MDX 66 LEU MDY 5.50 (# 1583:25 Unique 2.26, 6.32 A)
&rst
ixpk= 1583, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 945, 946, 947, 949, 950, 951,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 25-2:1585 66 LEU MDY 2.50 (# 1585:25 Single Ambig)
&rst
ixpk= 1585, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1000, 987, 988, 989,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 66 LEU HB- 66 LEU MDY 3.50 (# 1586:25 Unique 2.28, 3.55 A)
&rst
ixpk= 1586, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 997, 998,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 53 LEU MDY 66 LEU MDY 3.50 (# 1587:25 Unique 2.89, 6.42 A)
&rst
ixpk= 1587, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 822, 823, 824, 826, 827, 828,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 62 LEU MDY 66 LEU MDY 4.50 (# 1588:25 Unique 2.26, 6.32 A)
&rst
ixpk= 1588, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 945, 946, 947, 949, 950, 951,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 25-2:1590 66 LEU MDY 4.50 (# 1590:25 Single Ambig)
&rst
ixpk= 1590, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 384, 385,1043,1044,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 77 ASN HB+ 66 LEU MDY 4.50 (# 1591:25 Unique 2.76, 5.50 A)
&rst
ixpk= 1591, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1163,1164,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 53 LEU MDX 66 LEU MDY 3.50 (# 1592:25 Unique 2.89, 6.42 A)
&rst
ixpk= 1592, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 822, 823, 824, 826, 827, 828,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 25-2:1593 66 LEU MDY 4.50 (# 1593:25 Single Ambig)
&rst
ixpk= 1593, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 945, 946, 947, 949, 950, 951, 822, 823, 824, 826,
827, 828,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 15 LYS HA 15 LYS HG+ 4.50 (# 1594:25 Unique 2.35, 2.73 A)
&rst
ixpk= 1594, nxpk= 25, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 227, 228,
&end
#
# 15 LYS HE- 15 LYS HG+ 5.50 (# 1595:25 Unique 2.38, 2.79 A)
&rst
ixpk= 1595, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 233, 234,
igr2= 227, 228,
&end
#
# 114 PRO HD- 112 LYS HA 5.50 (# 1598:25 Unique 3.62, 5.48 A)
&rst
ixpk= 1598, nxpk= 25, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1717,1718,
&end
#
# 53 LEU HA 53 LEU MDX 2.50 (# 1600:25 Unique 2.13, 3.84 A)
&rst
ixpk= 1600, nxpk= 25, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 59 GLY HA+ 53 LEU MDX 4.50 (# 1601:25 Unique 2.29, 5.11 A)
&rst
ixpk= 1601, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 903, 904,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 26 PHE HB+ 53 LEU MDX 5.50 (# 1602:25 Unique 2.23, 4.70 A)
&rst
ixpk= 1602, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 384, 385,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 25-2:1603 53 LEU MDX 4.50 (# 1603:25 Single Ambig)
&rst
ixpk= 1603, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 384, 385, 424, 425, 424, 425,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 25-2:1604 53 LEU MDX 2.50 (# 1604:25 Single Ambig)
&rst
ixpk= 1604, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 959, 960, 820,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 62 LEU HB+ 53 LEU MDX 3.50 (# 1605:25 Unique 2.21, 4.35 A)
&rst
ixpk= 1605, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 940, 941,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 25-2:1606 53 LEU MDX 3.50 (# 1606:25 Single Ambig)
&rst
ixpk= 1606, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 817, 818,1000,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 14 ALA MB 53 LEU MDX 4.50 (# 1607:25 Unique 5.74, 7.77 A)
&rst
ixpk= 1607, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 214, 215, 216,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 51 VAL MGX 53 LEU MDX 5.50 (# 1609:25 Unique 2.22, 6.02 A)
&rst
ixpk= 1609, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 788, 789, 790, 792, 793, 794,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 66 LEU MDY 53 LEU MDX 4.50 (# 1610:25 Unique 2.89, 6.42 A)
&rst
ixpk= 1610, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 25-2:1611 101 LEU MDY 4.50 (# 1611:25 Single Ambig)
&rst
ixpk= 1611, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1555,1660, 681,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 101 LEU HA 101 LEU MDY 3.50 (# 1612:25 Unique 2.12, 3.61 A)
&rst
ixpk= 1612, nxpk= 25, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 102 PRO HD- 101 LEU MDY 5.50 (# 1613:25 Unique 2.43, 5.45 A)
&rst
ixpk= 1613, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1546,1547,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 102 PRO HD+ 101 LEU MDY 5.50 (# 1614:25 Unique 2.43, 5.45 A)
&rst
ixpk= 1614, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1546,1547,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 112 LYS QE 101 LEU MDY 7.00 (# 1615:25 Unique 2.30, 6.53 A)
&rst
ixpk= 1615, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1693,1694,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 0 AMB 25-2:1616 101 LEU MDY 3.50 (# 1616:25 Single Ambig)
&rst
ixpk= 1616, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 683,1604,1605,1604,1605,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 0 AMB 25-2:1617 101 LEU MDY 4.50 (# 1617:25 Single Ambig)
&rst
ixpk= 1617, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1582,1583,1549,1550,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 0 AMB 25-2:1618 101 LEU MDY 2.50 (# 1618:25 Single Ambig)
&rst
ixpk= 1618, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1533,1530,1531,1587,1588,1589,1591,1592,1593,1684,
1685,1684,1685,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 0 AMB 25-2:1619 101 LEU MDY 4.50 (# 1619:25 Single Ambig)
&rst
ixpk= 1619, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1582,1583,1687,1688,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 44 VAL MGY 101 LEU MDY 2.50 (# 1620:25 Unique 2.19, 5.45 A)
&rst
ixpk= 1620, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 685, 686, 687, 689, 690, 691,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 66 LEU MDX 62 LEU MDY 5.50 (# 1623:25 Unique 2.26, 6.32 A)
&rst
ixpk= 1623, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 59 GLY HA+ 62 LEU MDY 5.50 (# 1624:25 Unique 3.74, 6.53 A)
&rst
ixpk= 1624, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 903, 904,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 58 ASP HB+ 62 LEU MDY 5.50 (# 1626:25 Unique 2.40, 6.60 A)
&rst
ixpk= 1626, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 893, 894,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 8 ASP HB+ 11 LEU MDY 5.50 (# 1628:25 Unique 4.77, 6.93 A)
&rst
ixpk= 1628, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 119, 120,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 15 LYS HG+ 11 LEU MDY 5.50 (# 1629:25 Unique 2.31, 5.19 A)
&rst
ixpk= 1629, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 227, 228,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 8 ASP HA 11 LEU MDY 4.50 (# 1630:25 Unique 3.25, 4.74 A)
&rst
ixpk= 1630, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 11 LEU HA 11 LEU MDY 3.50 (# 1631:25 Unique 2.47, 4.31 A)
&rst
ixpk= 1631, nxpk= 25, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 69 TRP HB- 11 LEU MDY 3.50 (# 1632:25 Unique 2.19, 5.19 A)
&rst
ixpk= 1632, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1043,1044,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 15 LYS HE- 11 LEU MDY 3.50 (# 1633:25 Unique 2.12, 4.31 A)
&rst
ixpk= 1633, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 233, 234,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 0 AMB 25-2:1634 11 LEU MDY 2.50 (# 1634:25 Single Ambig)
&rst
ixpk= 1634, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 154, 173, 174, 214, 215, 216,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 15 LYS QD 11 LEU MDY 4.50 (# 1635:25 Unique 2.51, 5.16 A)
&rst
ixpk= 1635, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 230, 231,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 8 ASP HB+ 7 LEU MDX 5.50 (# 1637:25 Unique 3.69, 7.01 A)
&rst
ixpk= 1637, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 119, 120,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 8 ASP HB- 7 LEU MDX 5.50 (# 1638:25 Unique 3.69, 7.01 A)
&rst
ixpk= 1638, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 119, 120,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 0 AMB 25-2:1639 104 LEU MDX 5.50 (# 1639:25 Single Ambig)
&rst
ixpk= 1639, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 683, 727, 728,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 104 LEU HA 104 LEU MDX 3.50 (# 1640:25 Unique 2.17, 3.88 A)
&rst
ixpk= 1640, nxpk= 25, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 104 LEU HB+ 104 LEU MDX 3.50 (# 1642:25 Unique 2.42, 3.29 A)
&rst
ixpk= 1642, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1582,1583,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 46 ALA MB 104 LEU MDX 3.50 (# 1644:25 Unique 2.22, 3.93 A)
&rst
ixpk= 1644, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 706, 707, 708,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 0 AMB 25-2:1645 104 LEU MDX 4.50 (# 1645:25 Single Ambig)
&rst
ixpk= 1645, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1=1662,1663,1664,1535,1536,1537,1539,1540,1541,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 0 AMB 25-2:1646 104 LEU MDX 2.50 (# 1646:25 Single Ambig)
&rst
ixpk= 1646, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 338, 339, 340, 342, 343, 344,1535,1536,1537,1539,
1540,1541,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 41 LEU MDY 104 LEU MDX 5.50 (# 1647:25 Unique 2.50, 5.54 A)
&rst
ixpk= 1647, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 638, 639, 640, 642, 643, 644,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 48 TYR HB+ 104 LEU MDX 5.50 (# 1648:25 Unique 5.09, 7.10 A)
&rst
ixpk= 1648, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 727, 728,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 40 LEU HA 40 LEU MDX 3.50 (# 1651:25 Unique 2.27, 3.93 A)
&rst
ixpk= 1651, nxpk= 25, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 96 GLN HA 40 LEU MDX 5.50 (# 1652:25 Unique 6.24, 7.81 A)
&rst
ixpk= 1652, nxpk= 25, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 41 LEU HA 40 LEU MDX 5.50 (# 1653:25 Unique 2.71, 6.13 A)
&rst
ixpk= 1653, nxpk= 25, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 92 VAL HA 40 LEU MDX 3.50 (# 1654:25 Unique 2.26, 3.40 A)
&rst
ixpk= 1654, nxpk= 25, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 95 HIS HB+ 40 LEU MDX 4.50 (# 1655:25 Unique 2.40, 3.86 A)
&rst
ixpk= 1655, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1424,1425,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 43 GLN QB 40 LEU MDX 4.50 (# 1657:25 Unique 3.55, 6.81 A)
&rst
ixpk= 1657, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 666, 667,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 25-2:1658 40 LEU MDX 4.50 (# 1658:25 Single Ambig)
&rst
ixpk= 1658, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1371, 535, 536,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 25-2:1659 40 LEU MDX 2.50 (# 1659:25 Single Ambig)
&rst
ixpk= 1659, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 614, 615, 636,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 92 VAL MGY 40 LEU MDX 2.50 (# 1662:25 Unique 2.30, 5.01 A)
&rst
ixpk= 1662, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1373,1374,1375,1377,1378,1379,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 25-2:1663 40 LEU MDX 2.50 (# 1663:25 Single Ambig)
&rst
ixpk= 1663, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1357,1358,1359,1361,1362,1363,1516,1517,1518,1520,
1521,1522,1516,1517,1518,1520,1521,1522,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 15 LYS HE- 15 LYS HG- 5.50 (# 1664:25 Unique 2.38, 2.79 A)
&rst
ixpk= 1664, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 233, 234,
igr2= 227, 228,
&end
#
# 15 LYS HE- 15 LYS HG- 5.50 (# 1666:25 Unique 2.38, 2.79 A)
&rst
ixpk= 1666, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 233, 234,
igr2= 227, 228,
&end
#
# 67 ALA HA 66 LEU MDY 5.50 (# 1669:25 Unique 3.18, 6.77 A)
&rst
ixpk= 1669, nxpk= 25, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 15 LYS QD 15 LYS HG+ 3.50 (# 1671:25 Unique 2.44, 2.76 A)
&rst
ixpk= 1671, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 230, 231,
igr2= 227, 228,
&end
#
# 15 LYS HE+ 15 LYS HG+ 4.50 (# 1672:25 Unique 2.38, 2.79 A)
&rst
ixpk= 1672, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 233, 234,
igr2= 227, 228,
&end
#
# 0 AMB 25-2:1673 0 AMB 25-1:1673 3.50 (# 1673:25 Double Ambig)
&rst
ixpk= 1673, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 224, 225, 154,
igr2= 227, 228, 227, 228,
&end
#
# 0 AMB 25-2:1676 97 ARG HA 2.50 (# 1676:25 Single Ambig)
&rst
ixpk= 1676, nxpk= 25, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1461,1462,1458,1459,
&end
#
# 0 AMB 25-2:1677 112 LYS HA 2.50 (# 1677:25 Single Ambig)
&rst
ixpk= 1677, nxpk= 25, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1684,1685,1684,1685,
&end
#
# 112 LYS QG 112 LYS HA 3.50 (# 1678:25 Unique 2.41, 3.09 A)
&rst
ixpk= 1678, nxpk= 25, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1687,1688,
&end
#
# 17 LEU HB+ 14 ALA HA 4.50 (# 1679:25 Unique 2.40, 3.30 A)
&rst
ixpk= 1679, nxpk= 25, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 261, 262,
&end
#
# 17 LEU MDY 14 ALA HA 5.50 (# 1680:25 Unique 2.33, 4.71 A)
&rst
ixpk= 1680, nxpk= 25, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 266, 267, 268, 270, 271, 272,
&end
#
# 14 ALA MB 14 ALA HA 2.50 (# 1681:25 Unique 2.40, 2.65 A)
&rst
ixpk= 1681, nxpk= 25, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 214, 215, 216,
&end
#
# 17 LEU HB- 14 ALA HA 4.50 (# 1682:25 Unique 2.40, 3.30 A)
&rst
ixpk= 1682, nxpk= 25, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 261, 262,
&end
#
# 0 AMB 25-2:1683 14 ALA HA 3.50 (# 1683:25 Single Ambig)
&rst
ixpk= 1683, nxpk= 25, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 266, 267, 268, 270, 271, 272, 945, 946, 947, 949,
950, 951,
&end
#
# 66 LEU MDX 53 LEU MDX 5.50 (# 1692:25 Unique 2.89, 6.42 A)
&rst
ixpk= 1692, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 25-2:1693 101 LEU MDX 4.50 (# 1693:25 Single Ambig)
&rst
ixpk= 1693, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1555,1660, 681,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 101 LEU HA 101 LEU MDX 3.50 (# 1694:25 Unique 2.12, 3.61 A)
&rst
ixpk= 1694, nxpk= 25, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 104 LEU HA 101 LEU MDX 5.50 (# 1695:25 Unique 5.35, 7.92 A)
&rst
ixpk= 1695, nxpk= 25, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 102 PRO HD+ 101 LEU MDX 5.50 (# 1696:25 Unique 2.43, 5.45 A)
&rst
ixpk= 1696, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1546,1547,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 0 AMB 25-2:1697 101 LEU MDX 3.50 (# 1697:25 Single Ambig)
&rst
ixpk= 1697, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 683,1604,1605,1604,1605,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 0 AMB 25-2:1698 101 LEU MDX 4.50 (# 1698:25 Single Ambig)
&rst
ixpk= 1698, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1582,1583,1549,1550,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 0 AMB 25-2:1700 101 LEU MDX 2.50 (# 1700:25 Single Ambig)
&rst
ixpk= 1700, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1533,1530,1531,1587,1588,1589,1591,1592,1593,1684,
1685,1684,1685,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 100 LEU HB- 101 LEU MDX 5.50 (# 1702:25 Unique 2.92, 7.26 A)
&rst
ixpk= 1702, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1511,1512,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 44 VAL MGY 101 LEU MDX 2.50 (# 1703:25 Unique 2.19, 5.45 A)
&rst
ixpk= 1703, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 685, 686, 687, 689, 690, 691,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 51 VAL MGX 62 LEU MDY 5.50 (# 1705:25 Unique 3.67, 7.20 A)
&rst
ixpk= 1705, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 788, 789, 790, 792, 793, 794,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 66 LEU MDY 62 LEU MDY 5.50 (# 1706:25 Unique 2.26, 6.32 A)
&rst
ixpk= 1706, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 0 AMB 25-2:1707 0 AMB 25-1:1707 3.50 (# 1707:25 Double Ambig)
&rst
ixpk= 1707, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1759, 139,
igr2=1766,1767,1768,1770,1771,1772, 945, 946, 947, 949,
950, 951,
&end
#
# 62 LEU HA 62 LEU MDY 2.50 (# 1708:25 Unique 2.12, 3.20 A)
&rst
ixpk= 1708, nxpk= 25, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 0 AMB 25-2:1709 62 LEU MDY 3.50 (# 1709:25 Single Ambig)
&rst
ixpk= 1709, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 212, 957,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 0 AMB 25-2:1710 62 LEU MDY 5.50 (# 1710:25 Single Ambig)
&rst
ixpk= 1710, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 893, 894, 201, 202,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 26 PHE HB- 62 LEU MDY 4.50 (# 1711:25 Unique 4.19, 7.92 A)
&rst
ixpk= 1711, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 384, 385,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 58 ASP HB+ 62 LEU MDY 5.50 (# 1712:25 Unique 2.40, 6.60 A)
&rst
ixpk= 1712, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 893, 894,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 0 AMB 25-2:1714 62 LEU MDY 4.50 (# 1714:25 Single Ambig)
&rst
ixpk= 1714, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 923, 924, 820,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 0 AMB 25-2:1715 62 LEU MDY 3.50 (# 1715:25 Single Ambig)
&rst
ixpk= 1715, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 940, 941, 997, 998,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 0 AMB 25-2:1717 62 LEU MDY 3.50 (# 1717:25 Single Ambig)
&rst
ixpk= 1717, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 214, 215, 216, 141, 142, 143,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 0 AMB 25-2:1718 62 LEU MDY 2.50 (# 1718:25 Single Ambig)
&rst
ixpk= 1718, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 940, 941, 195, 196,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 59 GLY HA+ 62 LEU MDY 5.50 (# 1719:25 Unique 3.74, 6.53 A)
&rst
ixpk= 1719, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 903, 904,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 12 LYS HA 11 LEU MDY 5.50 (# 1720:25 Unique 2.46, 5.01 A)
&rst
ixpk= 1720, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 156, 157, 158, 160, 161, 162,
&end
#
# 0 AMB 25-2:1721 7 LEU MDX 2.50 (# 1721:25 Single Ambig)
&rst
ixpk= 1721, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 98, 985,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 7 LEU QB 7 LEU MDX 2.50 (# 1722:25 Unique 2.35, 3.36 A)
&rst
ixpk= 1722, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 100, 101,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 97 ARG QD 97 ARG HA 4.50 (# 1724:25 Unique 3.94, 4.53 A)
&rst
ixpk= 1724, nxpk= 25, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1464,1465,
&end
#
# 0 AMB 25-2:1725 0 AMB 25-1:1725 2.50 (# 1725:25 Double Ambig)
&rst
ixpk= 1725, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=1458,1459,1744,1745,
igr2=1456,1742,
&end
#
# 100 LEU HB+ 101 LEU MDX 5.50 (# 1729:25 Unique 2.92, 7.26 A)
&rst
ixpk= 1729, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1511,1512,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 0 AMB 25-2:1730 101 LEU MDX 4.50 (# 1730:25 Single Ambig)
&rst
ixpk= 1730, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1582,1583,1687,1688,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 102 PRO HD+ 99 GLU HA 4.50 (# 1733:25 Unique 2.49, 3.34 A)
&rst
ixpk= 1733, nxpk= 25, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1546,1547,
&end
#
# 102 PRO HD- 99 GLU HA 5.50 (# 1734:25 Unique 2.49, 3.34 A)
&rst
ixpk= 1734, nxpk= 25, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1546,1547,
&end
#
# 99 GLU QG 99 GLU HA 2.50 (# 1735:25 Unique 2.49, 2.82 A)
&rst
ixpk= 1735, nxpk= 25, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1499,1500,
&end
#
# 94 LYS HA 99 GLU HA 5.50 (# 1736:25 Unique 5.50, 5.54 A)
&rst
ixpk= 1736, nxpk= 25, iat=1400,1494, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 GLN HB- 116 GLN HA 3.50 (# 1738:25 Unique 2.37, 2.70 A)
&rst
ixpk= 1738, nxpk= 25, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1744,1745,
&end
#
# 115 ALA MB 116 GLN HA 5.50 (# 1739:25 Unique 4.70, 5.51 A)
&rst
ixpk= 1739, nxpk= 25, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1734,1735,1736,
&end
#
# 117 LEU HA 116 GLN HA 5.50 (# 1740:25 Unique 4.26, 4.49 A)
&rst
ixpk= 1740, nxpk= 25, iat=1759,1742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:1747 78 VAL MGX 5.50 (# 1747:25 Single Ambig)
&rst
ixpk= 1747, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1163,1164, 727, 728,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 102 PRO HA 117 LEU MDY 5.50 (# 1748:25 Unique 2.27, 4.57 A)
&rst
ixpk= 1748, nxpk= 25, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1766,1767,1768,1770,1771,1772,
&end
#
# 0 AMB 25-2:1750 117 LEU MDY 5.50 (# 1750:25 Single Ambig)
&rst
ixpk= 1750, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1618,1619,1706,1707,
igr2=1766,1767,1768,1770,1771,1772,
&end
#
# 105 GLN HG- 117 LEU MDY 5.50 (# 1751:25 Unique 2.36, 6.57 A)
&rst
ixpk= 1751, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1604,1605,
igr2=1766,1767,1768,1770,1771,1772,
&end
#
# 8 ASP HB+ 7 LEU MDY 5.50 (# 1753:25 Unique 3.69, 7.01 A)
&rst
ixpk= 1753, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 119, 120,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 7 LEU HA 7 LEU MDY 2.50 (# 1754:25 Unique 2.20, 3.82 A)
&rst
ixpk= 1754, nxpk= 25, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 68 HIS HB- 7 LEU MDY 5.50 (# 1755:25 Unique 2.50, 4.16 A)
&rst
ixpk= 1755, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1026,1027,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 8 ASP HB- 7 LEU MDY 5.50 (# 1757:25 Unique 3.69, 7.01 A)
&rst
ixpk= 1757, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 119, 120,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 0 AMB 25-2:1758 7 LEU MDY 5.50 (# 1758:25 Single Ambig)
&rst
ixpk= 1758, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 923, 924, 85, 86,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 0 AMB 25-2:1759 7 LEU MDY 4.50 (# 1759:25 Single Ambig)
&rst
ixpk= 1759, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 923, 924, 85, 86,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 7 LEU HG 7 LEU MDY 2.50 (# 1760:25 Unique 2.33, 2.66 A)
&rst
ixpk= 1760, nxpk= 25, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 105, 106, 107, 109, 110, 111,
&end
#
# 0 AMB 25-2:1765 0 AMB 25-1:1765 4.50 (# 1765:25 Double Ambig)
&rst
ixpk= 1765, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 976, 977, 149,
igr2= 985, 139,
&end
#
# 0 AMB 25-2:1766 65 ALA HA 3.50 (# 1766:25 Single Ambig)
&rst
ixpk= 1766, nxpk= 25, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1026,1027,1026,1027,
&end
#
# 65 ALA MB 65 ALA HA 2.50 (# 1767:25 Unique 2.42, 2.64 A)
&rst
ixpk= 1767, nxpk= 25, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 987, 988, 989,
&end
#
# 7 LEU MDX 65 ALA HA 4.50 (# 1768:25 Unique 2.29, 3.87 A)
&rst
ixpk= 1768, nxpk= 25, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 105, 106, 107, 109, 110, 111,
&end
#
# 24 VAL HB 18 ALA HA 4.50 (# 1772:25 Unique 2.52, 2.60 A)
&rst
ixpk= 1772, nxpk= 25, iat= 352, 278, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:1773 18 ALA HA 2.50 (# 1773:25 Single Ambig)
&rst
ixpk= 1773, nxpk= 25, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 354, 355, 356, 358, 359, 360, 280, 281, 282,
&end
#
# 24 VAL MGX 18 ALA HA 3.50 (# 1774:25 Unique 2.20, 3.29 A)
&rst
ixpk= 1774, nxpk= 25, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 12 LYS HA 9 ALA HA 5.50 (# 1776:25 Unique 5.24, 5.39 A)
&rst
ixpk= 1776, nxpk= 25, iat= 168, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 LYS QB 9 ALA HA 3.50 (# 1777:25 Unique 2.65, 3.23 A)
&rst
ixpk= 1777, nxpk= 25, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 170, 171,
&end
#
# 12 LYS QD 9 ALA HA 4.50 (# 1778:25 Unique 2.71, 4.25 A)
&rst
ixpk= 1778, nxpk= 25, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 176, 177,
&end
#
# 9 ALA MB 9 ALA HA 2.50 (# 1779:25 Unique 2.46, 2.67 A)
&rst
ixpk= 1779, nxpk= 25, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 131, 132, 133,
&end
#
# 0 AMB 25-2:1780 67 ALA HA 4.50 (# 1780:25 Single Ambig)
&rst
ixpk= 1780, nxpk= 25, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1079,1080,1024,
&end
#
# 67 ALA MB 67 ALA HA 2.50 (# 1783:25 Unique 2.43, 2.68 A)
&rst
ixpk= 1783, nxpk= 25, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1016,1017,1018,
&end
#
# 48 TYR HB- 50 VAL MGX 5.50 (# 1784:25 Unique 4.51, 7.17 A)
&rst
ixpk= 1784, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 727, 728,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 51 VAL HA 50 VAL MGX 5.50 (# 1785:25 Unique 3.89, 5.72 A)
&rst
ixpk= 1785, nxpk= 25, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 27 SER HB- 50 VAL MGX 4.50 (# 1786:25 Unique 2.48, 5.49 A)
&rst
ixpk= 1786, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 404, 405,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 0 AMB 25-2:1787 50 VAL MGX 3.50 (# 1787:25 Single Ambig)
&rst
ixpk= 1787, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 584, 585, 584, 585,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 0 AMB 25-2:1788 50 VAL MGX 3.50 (# 1788:25 Single Ambig)
&rst
ixpk= 1788, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 805, 806, 368,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 50 VAL HB 50 VAL MGX 2.50 (# 1789:25 Unique 2.35, 2.66 A)
&rst
ixpk= 1789, nxpk= 25, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 38 LYS HD- 50 VAL MGX 4.50 (# 1790:25 Unique 2.24, 4.54 A)
&rst
ixpk= 1790, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 581, 582,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 38 LYS HD+ 50 VAL MGX 4.50 (# 1791:25 Unique 2.24, 4.54 A)
&rst
ixpk= 1791, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 581, 582,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 89 ASP HA 92 VAL MGY 3.50 (# 1793:25 Unique 2.11, 4.55 A)
&rst
ixpk= 1793, nxpk= 25, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 92 VAL HA 92 VAL MGY 2.50 (# 1794:25 Unique 2.47, 3.21 A)
&rst
ixpk= 1794, nxpk= 25, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 36 ARG HD- 92 VAL MGY 5.50 (# 1795:25 Unique 2.42, 5.28 A)
&rst
ixpk= 1795, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 541, 542,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 36 ARG HD+ 92 VAL MGY 5.50 (# 1796:25 Unique 2.42, 5.28 A)
&rst
ixpk= 1796, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 541, 542,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 96 GLN HG- 92 VAL MGY 5.50 (# 1797:25 Unique 2.96, 5.78 A)
&rst
ixpk= 1797, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1444,1445,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 0 AMB 25-2:1798 92 VAL MGY 2.50 (# 1798:25 Single Ambig)
&rst
ixpk= 1798, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1371,1387,1388, 535, 536,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 40 LEU MDY 92 VAL MGY 4.50 (# 1799:25 Unique 2.30, 5.01 A)
&rst
ixpk= 1799, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 619, 620, 621, 623, 624, 625,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 40 LEU MDX 92 VAL MGY 2.50 (# 1800:25 Unique 2.30, 5.01 A)
&rst
ixpk= 1800, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 619, 620, 621, 623, 624, 625,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 40 LEU HG 92 VAL MGY 4.50 (# 1801:25 Unique 4.61, 6.47 A)
&rst
ixpk= 1801, nxpk= 25, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 40 LEU HA 92 VAL MGY 5.50 (# 1803:25 Unique 5.33, 7.35 A)
&rst
ixpk= 1803, nxpk= 25, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 90 THR HB 91 VAL MGY 4.50 (# 1804:25 Unique 3.04, 4.59 A)
&rst
ixpk= 1804, nxpk= 25, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 25-2:1805 91 VAL MGY 5.50 (# 1805:25 Single Ambig)
&rst
ixpk= 1805, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1309,1310,1302,1303,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 91 VAL HA 0 AMB 25-1:1806 2.50 (# 1806:25 Single Ambig)
&rst
ixpk= 1806, nxpk= 25, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1357,1358,1359,1361,1362,1363,1516,1517,1518,1520,
1521,1522,
&end
#
# 88 CYS HB- 91 VAL MGY 5.50 (# 1807:25 Unique 4.65, 6.48 A)
&rst
ixpk= 1807, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1318,1319,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 91 VAL HB 0 AMB 25-1:1808 2.50 (# 1808:25 Single Ambig)
&rst
ixpk= 1808, nxpk= 25, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
1362,1363,
&end
#
# 41 LEU MDY 0 AMB 25-1:1809 5.50 (# 1809:25 Single Ambig)
&rst
ixpk= 1809, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 638, 639, 640, 642, 643, 644,
igr2=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
1362,1363,
&end
#
# 88 CYS HA 91 VAL MGY 4.50 (# 1810:25 Unique 2.27, 4.13 A)
&rst
ixpk= 1810, nxpk= 25, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 66 LEU HA 66 LEU MDX 2.50 (# 1811:25 Unique 2.15, 3.21 A)
&rst
ixpk= 1811, nxpk= 25, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 25-2:1812 66 LEU MDX 4.50 (# 1812:25 Single Ambig)
&rst
ixpk= 1812, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 957, 212,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 73 GLY HA- 66 LEU MDX 5.50 (# 1813:25 Unique 2.62, 6.93 A)
&rst
ixpk= 1813, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1110,1111,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 25-2:1814 66 LEU MDX 4.50 (# 1814:25 Single Ambig)
&rst
ixpk= 1814, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 384, 385,1043,1044,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 77 ASN HB- 66 LEU MDX 5.50 (# 1815:25 Unique 2.76, 5.50 A)
&rst
ixpk= 1815, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1163,1164,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 25-2:1816 66 LEU MDX 3.50 (# 1816:25 Single Ambig)
&rst
ixpk= 1816, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 997, 998, 940, 941,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 25-2:1817 66 LEU MDX 2.50 (# 1817:25 Single Ambig)
&rst
ixpk= 1817, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1000, 987, 988, 989,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 14 ALA MB 66 LEU MDX 2.50 (# 1818:25 Unique 2.35, 4.34 A)
&rst
ixpk= 1818, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 214, 215, 216,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 53 LEU MDX 66 LEU MDX 5.50 (# 1819:25 Unique 2.89, 6.42 A)
&rst
ixpk= 1819, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 822, 823, 824, 826, 827, 828,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 53 LEU MDY 66 LEU MDX 4.50 (# 1820:25 Unique 2.89, 6.42 A)
&rst
ixpk= 1820, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 822, 823, 824, 826, 827, 828,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 25-2:1821 66 LEU MDX 5.50 (# 1821:25 Single Ambig)
&rst
ixpk= 1821, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 945, 946, 947, 949, 950, 951, 822, 823, 824, 826,
827, 828,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 62 LEU MDY 66 LEU MDX 4.50 (# 1822:25 Unique 2.26, 6.32 A)
&rst
ixpk= 1822, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 945, 946, 947, 949, 950, 951,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 25-2:1826 66 LEU MDX 5.50 (# 1826:25 Single Ambig)
&rst
ixpk= 1826, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 820, 261, 262, 959, 960,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 62 LEU MDX 66 LEU MDX 5.50 (# 1828:25 Unique 2.26, 6.32 A)
&rst
ixpk= 1828, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 945, 946, 947, 949, 950, 951,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 10 ALA MB 10 ALA HA 2.50 (# 1830:25 Unique 2.40, 2.66 A)
&rst
ixpk= 1830, nxpk= 25, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 141, 142, 143,
&end
#
# 12 LYS HG- 9 ALA HA 5.50 (# 1831:25 Unique 3.86, 5.16 A)
&rst
ixpk= 1831, nxpk= 25, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 173, 174,
&end
#
# 88 CYS HA 90 THR MG2 7.00 (# 1837:25 Unique 7.41, 7.83 A)
&rst
ixpk= 1837, nxpk= 25, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1343,1344,1345,
&end
#
# 22 PRO HA 23 VAL MGX 4.50 (# 1838:25 Unique 4.54, 6.34 A)
&rst
ixpk= 1838, nxpk= 25, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 104 LEU HA 23 VAL MGX 4.50 (# 1839:25 Unique 4.16, 5.77 A)
&rst
ixpk= 1839, nxpk= 25, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 48 TYR HB+ 23 VAL MGX 4.50 (# 1840:25 Unique 2.42, 4.04 A)
&rst
ixpk= 1840, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 727, 728,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 25-2:1841 23 VAL MGX 2.50 (# 1841:25 Single Ambig)
&rst
ixpk= 1841, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 336, 322, 323,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 25-2:1842 0 AMB 25-1:1842 2.50 (# 1842:25 Double Ambig)
&rst
ixpk= 1842, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1219,1220,1650,1651,1652, 636,
igr2= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
1184,1185,
&end
#
# 46 ALA MB 23 VAL MGX 3.50 (# 1843:25 Unique 2.45, 5.07 A)
&rst
ixpk= 1843, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 706, 707, 708,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 41 LEU MDX 0 AMB 25-1:1844 3.50 (# 1844:25 Single Ambig)
&rst
ixpk= 1844, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
1184,1185,
&end
#
# 87 GLY HA- 78 VAL MGX 4.50 (# 1845:25 Unique 2.30, 5.78 A)
&rst
ixpk= 1845, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1309,1310,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 25-2:1846 0 AMB 25-1:1846 5.50 (# 1846:25 Double Ambig)
&rst
ixpk= 1846, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.51, r4=12.01,
igr1=1193,1194,1193,1194,1163,1164,1353,
igr2=1179,1180,1181,1183,1184,1185, 338, 339, 340, 342,
343, 344,
&end
#
# 76 PRO HB+ 78 VAL MGX 4.50 (# 1847:25 Unique 2.65, 5.39 A)
&rst
ixpk= 1847, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1152,1153,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 78 VAL HB 78 VAL MGX 2.50 (# 1848:25 Unique 2.42, 2.67 A)
&rst
ixpk= 1848, nxpk= 25, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 25-2:1849 0 AMB 25-1:1849 2.50 (# 1849:25 Double Ambig)
&rst
ixpk= 1849, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1587,1588,1589,1591,1592,1593,1152,1153,
igr2= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
1184,1185,
&end
#
# 41 LEU MDY 0 AMB 25-1:1851 4.50 (# 1851:25 Single Ambig)
&rst
ixpk= 1851, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
1184,1185,
&end
#
# 0 AMB 25-2:1854 0 AMB 25-1:1854 2.50 (# 1854:25 Double Ambig)
&rst
ixpk= 1854, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 863, 864, 802, 803,
igr2= 868, 869, 870, 872, 873, 874, 772, 773, 774, 776,
777, 778,
&end
#
# 0 AMB 25-2:1855 0 AMB 25-1:1855 3.50 (# 1855:25 Double Ambig)
&rst
ixpk= 1855, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 863, 864,1213,
igr2= 868, 869, 870, 872, 873, 874,1568,1569,1570,1572,
1573,1574,
&end
#
# 103 LEU HA 103 LEU MDX 2.50 (# 1856:25 Unique 2.19, 3.80 A)
&rst
ixpk= 1856, nxpk= 25, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1568,1569,1570,1572,1573,1574,
&end
#
# 0 AMB 25-2:1857 0 AMB 25-1:1857 5.50 (# 1857:25 Double Ambig)
&rst
ixpk= 1857, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1552,1553, 727, 728,
igr2=1568,1569,1570,1572,1573,1574, 772, 773, 774, 776,
777, 778,
&end
#
# 0 AMB 25-2:1858 0 AMB 25-1:1858 2.50 (# 1858:25 Double Ambig)
&rst
ixpk= 1858, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 866, 770,1566, 266, 267, 268, 270, 271, 272,
igr2= 868, 869, 870, 872, 873, 874, 772, 773, 774, 776,
777, 778,1568,1569,1570,1572,1573,1574,
&end
#
# 0 AMB 25-2:1859 0 AMB 25-1:1859 2.50 (# 1859:25 Double Ambig)
&rst
ixpk= 1859, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 581, 582, 578, 579,1563,1564,
igr2= 772, 773, 774, 776, 777, 778,1568,1569,1570,1572,
1573,1574,
&end
#
# 0 AMB 25-2:1860 103 LEU MDX 2.50 (# 1860:25 Single Ambig)
&rst
ixpk= 1860, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1294,1295,1296,1222,1223,1224,
igr2=1568,1569,1570,1572,1573,1574,
&end
#
# 13 LYS QE 17 LEU MDX 5.50 (# 1861:25 Unique 2.38, 5.15 A)
&rst
ixpk= 1861, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 201, 202,
igr2= 266, 267, 268, 270, 271, 272,
&end
#
# 49 LYS HE+ 17 LEU MDX 4.50 (# 1862:25 Unique 2.07, 4.52 A)
&rst
ixpk= 1862, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 757, 758,
igr2= 266, 267, 268, 270, 271, 272,
&end
#
# 16 GLU HG- 17 LEU MDX 5.50 (# 1863:25 Unique 4.73, 7.53 A)
&rst
ixpk= 1863, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 249, 250,
igr2= 266, 267, 268, 270, 271, 272,
&end
#
# 104 LEU MDY 100 LEU MDX 3.50 (# 1864:25 Unique 2.30, 5.17 A)
&rst
ixpk= 1864, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1587,1588,1589,1591,1592,1593,
igr2=1516,1517,1518,1520,1521,1522,
&end
#
# 0 AMB 25-2:1865 0 AMB 25-1:1865 2.50 (# 1865:25 Double Ambig)
&rst
ixpk= 1865, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 418, 419,1514,1563,1564,
igr2=1135,1136,1137,1139,1140,1141,1516,1517,1518,1520,
1521,1522,
&end
#
# 100 LEU HB- 100 LEU MDX 2.50 (# 1866:25 Unique 2.40, 3.32 A)
&rst
ixpk= 1866, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1511,1512,
igr2=1516,1517,1518,1520,1521,1522,
&end
#
# 41 LEU MDX 0 AMB 25-1:1867 3.50 (# 1867:25 Single Ambig)
&rst
ixpk= 1867, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 638, 639, 640, 642, 643, 644,
igr2=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
1362,1363,
&end
#
# 13 LYS HB+ 10 ALA HA 3.50 (# 1869:25 Unique 2.46, 3.04 A)
&rst
ixpk= 1869, nxpk= 25, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 192, 193,
&end
#
# 13 LYS HB- 10 ALA HA 4.50 (# 1870:25 Unique 2.46, 3.04 A)
&rst
ixpk= 1870, nxpk= 25, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 192, 193,
&end
#
# 13 LYS HG+ 10 ALA HA 5.50 (# 1871:25 Unique 4.19, 4.97 A)
&rst
ixpk= 1871, nxpk= 25, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 195, 196,
&end
#
# 62 LEU MDY 10 ALA HA 3.50 (# 1872:25 Unique 2.59, 4.43 A)
&rst
ixpk= 1872, nxpk= 25, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 945, 946, 947, 949, 950, 951,
&end
#
# 85 ILE HA 90 THR MG2 5.50 (# 1874:25 Unique 4.67, 5.51 A)
&rst
ixpk= 1874, nxpk= 25, iat=1283, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1343,1344,1345,
&end
#
# 90 THR HA 90 THR MG2 3.50 (# 1875:25 Unique 2.35, 2.98 A)
&rst
ixpk= 1875, nxpk= 25, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1343,1344,1345,
&end
#
# 90 THR HB 90 THR MG2 3.50 (# 1876:25 Unique 2.40, 2.66 A)
&rst
ixpk= 1876, nxpk= 25, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1343,1344,1345,
&end
#
# 86 GLY HA- 90 THR MG2 4.50 (# 1877:25 Unique 2.26, 4.09 A)
&rst
ixpk= 1877, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1302,1303,
igr2=1343,1344,1345,
&end
#
# 91 VAL HA 90 THR MG2 5.50 (# 1878:25 Unique 3.90, 4.98 A)
&rst
ixpk= 1878, nxpk= 25, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1343,1344,1345,
&end
#
# 0 AMB 25-2:1879 90 THR MG2 3.50 (# 1879:25 Single Ambig)
&rst
ixpk= 1879, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1411,1412,1411,1412,
igr2=1343,1344,1345,
&end
#
# 0 AMB 25-2:1880 90 THR MG2 3.50 (# 1880:25 Single Ambig)
&rst
ixpk= 1880, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1402,1403,1387,1388,
igr2=1343,1344,1345,
&end
#
# 0 AMB 25-2:1881 90 THR MG2 5.50 (# 1881:25 Single Ambig)
&rst
ixpk= 1881, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1285,1291,1292,
igr2=1343,1344,1345,
&end
#
# 94 LYS QG 90 THR MG2 4.50 (# 1882:25 Unique 3.06, 4.61 A)
&rst
ixpk= 1882, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1405,1406,
igr2=1343,1344,1345,
&end
#
# 0 AMB 25-2:1884 90 THR MG2 3.50 (# 1884:25 Single Ambig)
&rst
ixpk= 1884, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
1362,1363,
igr2=1343,1344,1345,
&end
#
# 85 ILE MG2 90 THR MG2 2.50 (# 1885:25 Unique 2.77, 4.26 A)
&rst
ixpk= 1885, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1287,1288,1289,
igr2=1343,1344,1345,
&end
#
# 0 AMB 25-2:1887 23 VAL MGX 5.50 (# 1887:25 Single Ambig)
&rst
ixpk= 1887, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1= 716, 717, 319, 320, 319, 320, 631,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 25-2:1888 23 VAL MGX 3.50 (# 1888:25 Single Ambig)
&rst
ixpk= 1888, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 727, 728, 325, 326,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 22 PRO HD+ 24 VAL MGY 5.50 (# 1889:25 Unique 5.60, 7.87 A)
&rst
ixpk= 1889, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 319, 320,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 51 VAL MGX 0 AMB 25-1:1890 4.50 (# 1890:25 Single Ambig)
&rst
ixpk= 1890, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 788, 789, 790, 792, 793, 794,
igr2= 868, 869, 870, 872, 873, 874, 354, 355, 356, 358,
359, 360,
&end
#
# 0 AMB 25-2:1891 0 AMB 25-1:1891 3.50 (# 1891:25 Double Ambig)
&rst
ixpk= 1891, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 815, 882, 883, 784, 301, 302,
igr2= 868, 869, 870, 872, 873, 874, 772, 773, 774, 776,
777, 778, 354, 355, 356, 358, 359, 360,
&end
#
# 27 SER HB- 50 VAL MGY 5.50 (# 1892:25 Unique 2.48, 5.49 A)
&rst
ixpk= 1892, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 404, 405,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 0 AMB 25-2:1893 0 AMB 25-1:1893 3.50 (# 1893:25 Double Ambig)
&rst
ixpk= 1893, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 584, 585, 584, 585,1618,1619,
igr2= 772, 773, 774, 776, 777, 778,1568,1569,1570,1572,
1573,1574,
&end
#
# 0 AMB 25-2:1894 0 AMB 25-1:1894 2.50 (# 1894:25 Double Ambig)
&rst
ixpk= 1894, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 805, 806, 368, 940, 941,
igr2= 772, 773, 774, 776, 777, 778, 868, 869, 870, 872,
873, 874,
&end
#
# 0 AMB 25-2:1895 0 AMB 25-1:1895 4.50 (# 1895:25 Double Ambig)
&rst
ixpk= 1895, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 578, 579, 940, 941,
igr2= 772, 773, 774, 776, 777, 778, 868, 869, 870, 872,
873, 874,
&end
#
# 0 AMB 25-2:1897 17 LEU MDX 2.50 (# 1897:25 Single Ambig)
&rst
ixpk= 1897, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 259, 212,
igr2= 266, 267, 268, 270, 271, 272,
&end
#
# 51 VAL MGX 17 LEU MDX 3.50 (# 1899:25 Unique 2.19, 4.42 A)
&rst
ixpk= 1899, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 788, 789, 790, 792, 793, 794,
igr2= 266, 267, 268, 270, 271, 272,
&end
#
# 17 LEU HB- 17 LEU MDX 2.50 (# 1900:25 Unique 2.40, 3.31 A)
&rst
ixpk= 1900, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 261, 262,
igr2= 266, 267, 268, 270, 271, 272,
&end
#
# 0 AMB 25-2:1901 0 AMB 25-1:1901 2.50 (# 1901:25 Double Ambig)
&rst
ixpk= 1901, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1509,1131,
igr2=1516,1517,1518,1520,1521,1522,1135,1136,1137,1139,
1140,1141,
&end
#
# 0 AMB 25-2:1902 0 AMB 25-1:1902 2.50 (# 1902:25 Double Ambig)
&rst
ixpk= 1902, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1133,1511,1512,
igr2=1135,1136,1137,1139,1140,1141,1516,1517,1518,1520,
1521,1522,
&end
#
# 18 ALA HA 24 VAL MGY 3.50 (# 1906:25 Unique 2.20, 3.29 A)
&rst
ixpk= 1906, nxpk= 25, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 25-2:1907 24 VAL MGY 2.50 (# 1907:25 Single Ambig)
&rst
ixpk= 1907, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 312, 313, 314, 751, 752,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 25-2:1910 0 AMB 25-1:1910 2.50 (# 1910:25 Double Ambig)
&rst
ixpk= 1910, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 424, 425, 424, 425,1152,1153,
igr2=1135,1136,1137,1139,1140,1141, 561, 562, 563, 565,
566, 567,
&end
#
# 38 LYS HA 41 LEU MDX 5.50 (# 1912:25 Unique 2.92, 5.22 A)
&rst
ixpk= 1912, nxpk= 25, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:1917 24 VAL MGY 5.50 (# 1917:25 Single Ambig)
&rst
ixpk= 1917, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 319, 320, 319, 320,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 38 LYS HA 50 VAL MGY 5.50 (# 1918:25 Unique 4.49, 6.08 A)
&rst
ixpk= 1918, nxpk= 25, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 91 VAL HA 91 VAL MGX 2.50 (# 1919:25 Unique 2.31, 3.48 A)
&rst
ixpk= 1919, nxpk= 25, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 25-2:1920 0 AMB 25-1:1920 4.50 (# 1920:25 Double Ambig)
&rst
ixpk= 1920, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1424,1425, 510, 511,
igr2=1357,1358,1359,1361,1362,1363,1135,1136,1137,1139,
1140,1141, 561, 562, 563, 565, 566, 567,
&end
#
# 37 VAL HA 0 AMB 25-1:1921 2.50 (# 1921:25 Single Ambig)
&rst
ixpk= 1921, nxpk= 25, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
1362,1363,
&end
#
# 38 LYS HA 37 VAL MGX 4.50 (# 1922:25 Unique 3.42, 5.59 A)
&rst
ixpk= 1922, nxpk= 25, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 88 CYS HB+ 37 VAL MGX 4.50 (# 1923:25 Unique 2.37, 5.03 A)
&rst
ixpk= 1923, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1318,1319,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 0 AMB 25-2:1924 0 AMB 25-1:1924 2.50 (# 1924:25 Double Ambig)
&rst
ixpk= 1924, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1355, 559,
igr2=1357,1358,1359,1361,1362,1363, 561, 562, 563, 565,
566, 567,
&end
#
# 0 AMB 25-2:1925 37 VAL MGX 2.50 (# 1925:25 Single Ambig)
&rst
ixpk= 1925, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1149,1150,1152,1153,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 0 AMB 25-2:1926 0 AMB 25-1:1926 2.50 (# 1926:25 Double Ambig)
&rst
ixpk= 1926, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 421, 422, 636,1408,1409, 817, 818, 614, 615,
igr2=1135,1136,1137,1139,1140,1141, 561, 562, 563, 565,
566, 567,1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 25-2:1927 0 AMB 25-1:1927 3.50 (# 1927:25 Double Ambig)
&rst
ixpk= 1927, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 578, 579,1343,1344,1345,1511,1512,
igr2= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
1362,1363,
&end
#
# 41 LEU HA 41 LEU MDX 2.50 (# 1930:25 Unique 2.15, 3.85 A)
&rst
ixpk= 1930, nxpk= 25, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 48 TYR HB+ 41 LEU MDX 5.50 (# 1931:25 Unique 2.34, 4.52 A)
&rst
ixpk= 1931, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 727, 728,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 48 TYR HB- 41 LEU MDX 4.50 (# 1932:25 Unique 2.34, 4.52 A)
&rst
ixpk= 1932, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 727, 728,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:1933 41 LEU MDX 4.50 (# 1933:25 Single Ambig)
&rst
ixpk= 1933, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1355, 559, 368,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:1934 41 LEU MDX 2.50 (# 1934:25 Single Ambig)
&rst
ixpk= 1934, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 636, 614, 615,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:1935 41 LEU MDX 2.50 (# 1935:25 Single Ambig)
&rst
ixpk= 1935, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 706, 707, 708, 619, 620, 621, 623, 624, 625,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:1936 41 LEU MDX 3.50 (# 1936:25 Single Ambig)
&rst
ixpk= 1936, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
1184,1185,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:1937 41 LEU MDX 2.50 (# 1937:25 Single Ambig)
&rst
ixpk= 1937, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 561, 562, 563, 565, 566, 567, 338, 339, 340, 342,
343, 344, 633, 634,1516,1517,1518,1520,1521,1522,
685, 686, 687, 689, 690, 691,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 104 LEU MDY 41 LEU MDX 5.50 (# 1941:25 Unique 2.50, 5.54 A)
&rst
ixpk= 1941, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1587,1588,1589,1591,1592,1593,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 29 THR HB 29 THR MG2 3.50 (# 1948:25 Unique 2.42, 2.66 A)
&rst
ixpk= 1948, nxpk= 25, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 439, 440, 441,
&end
#
# 29 THR HA 29 THR MG2 3.50 (# 1949:25 Unique 2.37, 2.95 A)
&rst
ixpk= 1949, nxpk= 25, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 439, 440, 441,
&end
#
# 0 AMB 25-2:1950 29 THR MG2 3.50 (# 1950:25 Single Ambig)
&rst
ixpk= 1950, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 802, 803, 851, 852, 805, 806,
igr2= 439, 440, 441,
&end
#
# 52 GLU HB- 29 THR MG2 4.50 (# 1951:25 Unique 2.26, 3.56 A)
&rst
ixpk= 1951, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 802, 803,
igr2= 439, 440, 441,
&end
#
# 0 AMB 25-2:1955 42 THR MG2 4.50 (# 1955:25 Single Ambig)
&rst
ixpk= 1955, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 597, 598, 575, 576,
igr2= 654, 655, 656,
&end
#
# 41 LEU HB- 42 THR MG2 5.50 (# 1956:25 Unique 6.39, 7.04 A)
&rst
ixpk= 1956, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 633, 634,
igr2= 654, 655, 656,
&end
#
# 0 AMB 25-2:1959 0 AMB 25-1:1959 2.50 (# 1959:25 Double Ambig)
&rst
ixpk= 1959, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1660,1119,
igr2=1662,1663,1664,1121,1122,1123,
&end
#
# 0 AMB 25-2:1960 110 THR MG2 4.50 (# 1960:25 Single Ambig)
&rst
ixpk= 1960, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1599, 697, 698,1528,
igr2=1662,1663,1664,
&end
#
# 0 AMB 25-2:1961 110 THR MG2 5.50 (# 1961:25 Single Ambig)
&rst
ixpk= 1961, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 697, 698,1580,
igr2=1662,1663,1664,
&end
#
# 0 AMB 25-2:1963 110 THR MG2 4.50 (# 1963:25 Single Ambig)
&rst
ixpk= 1963, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1604,1605,1604,1605, 683,
igr2=1662,1663,1664,
&end
#
# 0 AMB 25-2:1965 110 THR MG2 4.50 (# 1965:25 Single Ambig)
&rst
ixpk= 1965, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1587,1588,1589,1591,1592,1593,1684,1685,1684,1685,
igr2=1662,1663,1664,
&end
#
# 109 ALA MB 110 THR MG2 3.50 (# 1966:25 Unique 2.68, 5.03 A)
&rst
ixpk= 1966, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1650,1651,1652,
igr2=1662,1663,1664,
&end
#
# 0 AMB 25-2:1967 110 THR MG2 4.50 (# 1967:25 Single Ambig)
&rst
ixpk= 1967, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1582,1583,1687,1688,
igr2=1662,1663,1664,
&end
#
# 41 LEU MDY 37 VAL MGX 2.50 (# 1974:25 Unique 2.28, 5.78 A)
&rst
ixpk= 1974, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 40 LEU HA 41 LEU MDX 5.50 (# 1975:25 Unique 5.10, 7.25 A)
&rst
ixpk= 1975, nxpk= 25, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:1979 42 THR MG2 2.50 (# 1979:25 Single Ambig)
&rst
ixpk= 1979, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 652, 650,
igr2= 654, 655, 656,
&end
#
# 43 GLN HA 42 THR MG2 3.50 (# 1980:25 Unique 3.57, 4.67 A)
&rst
ixpk= 1980, nxpk= 25, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 654, 655, 656,
&end
#
# 0 AMB 25-2:1981 42 THR MG2 5.50 (# 1981:25 Single Ambig)
&rst
ixpk= 1981, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 669, 670, 600, 601,
igr2= 654, 655, 656,
&end
#
# 0 AMB 25-2:1982 42 THR MG2 4.50 (# 1982:25 Single Ambig)
&rst
ixpk= 1982, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 669, 670, 600, 601,
igr2= 654, 655, 656,
&end
#
# 74 THR HB 74 THR MG2 2.50 (# 1983:25 Unique 2.41, 2.66 A)
&rst
ixpk= 1983, nxpk= 25, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1121,1122,1123,
&end
#
# 73 GLY HA- 74 THR MG2 5.50 (# 1984:25 Unique 4.04, 6.16 A)
&rst
ixpk= 1984, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1110,1111,
igr2=1121,1122,1123,
&end
#
# 40 LEU MDY 92 VAL MGX 5.50 (# 1985:25 Unique 2.30, 5.01 A)
&rst
ixpk= 1985, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 619, 620, 621, 623, 624, 625,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 0 AMB 25-2:1986 51 VAL MGY 2.50 (# 1986:25 Single Ambig)
&rst
ixpk= 1986, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 784, 815,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 49 LYS HE- 51 VAL MGY 5.50 (# 1987:25 Unique 2.19, 4.89 A)
&rst
ixpk= 1987, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 757, 758,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 0 AMB 25-2:1988 51 VAL MGY 4.50 (# 1988:25 Single Ambig)
&rst
ixpk= 1988, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1= 266, 267, 268, 270, 271, 272, 866,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 51 VAL HB 51 VAL MGY 2.50 (# 1989:25 Unique 2.40, 2.66 A)
&rst
ixpk= 1989, nxpk= 25, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 53 LEU MDX 51 VAL MGY 3.50 (# 1990:25 Unique 2.22, 6.02 A)
&rst
ixpk= 1990, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 822, 823, 824, 826, 827, 828,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 0 AMB 25-2:1992 0 AMB 25-1:1992 5.50 (# 1992:25 Double Ambig)
&rst
ixpk= 1992, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 533,1230,1231, 612,
igr2= 561, 562, 563, 565, 566, 567, 338, 339, 340, 342,
343, 344,
&end
#
# 89 ASP HA 91 VAL MGX 5.50 (# 1993:25 Unique 5.37, 6.91 A)
&rst
ixpk= 1993, nxpk= 25, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 80 ILE MG2 107 ALA HA 4.50 (# 1994:25 Unique 4.51, 5.21 A)
&rst
ixpk= 1994, nxpk= 25, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1215,1216,1217,
&end
#
# 108 ALA MB 108 ALA HA 2.50 (# 1996:25 Unique 2.41, 2.65 A)
&rst
ixpk= 1996, nxpk= 25, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1640,1641,1642,
&end
#
# 48 TYR HB+ 23 VAL MGY 3.50 (# 2008:25 Unique 2.42, 4.04 A)
&rst
ixpk= 2008, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 727, 728,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 25-2:2009 23 VAL MGY 2.50 (# 2009:25 Single Ambig)
&rst
ixpk= 2009, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 336, 322, 323,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 46 ALA MB 23 VAL MGY 4.50 (# 2010:25 Unique 2.45, 5.07 A)
&rst
ixpk= 2010, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 706, 707, 708,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 77 ASN HB+ 25 VAL MGY 5.50 (# 2013:25 Unique 5.49, 7.99 A)
&rst
ixpk= 2013, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1163,1164,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 0 AMB 25-2:2014 25 VAL MGY 2.50 (# 2014:25 Single Ambig)
&rst
ixpk= 2014, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 368, 559,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 76 PRO HB- 25 VAL MGY 4.50 (# 2015:25 Unique 2.33, 4.70 A)
&rst
ixpk= 2015, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1152,1153,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 0 AMB 25-2:2017 25 VAL MGY 2.50 (# 2017:25 Single Ambig)
&rst
ixpk= 2017, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1179,1180,1181,1183,1184,1185, 338, 339, 340, 342,
343, 344,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 41 LEU MDY 25 VAL MGY 2.50 (# 2019:25 Unique 2.28, 5.72 A)
&rst
ixpk= 2019, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 0 AMB 25-2:2021 70 THR MG2 3.50 (# 2021:25 Single Ambig)
&rst
ixpk= 2021, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1065, 995,
igr2=1069,1070,1071,
&end
#
# 67 ALA HA 70 THR MG2 5.50 (# 2022:25 Unique 4.95, 6.05 A)
&rst
ixpk= 2022, nxpk= 25, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1069,1070,1071,
&end
#
# 0 AMB 25-2:2023 70 THR MG2 3.50 (# 2023:25 Single Ambig)
&rst
ixpk= 2023, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1043,1044,1043,1044,
igr2=1069,1070,1071,
&end
#
# 0 AMB 25-2:2024 70 THR MG2 5.50 (# 2024:25 Single Ambig)
&rst
ixpk= 2024, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1094,1095,1266, 384, 385,
igr2=1069,1070,1071,
&end
#
# 84 GLN HG- 70 THR MG2 3.50 (# 2025:25 Unique 2.32, 3.75 A)
&rst
ixpk= 2025, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1271,1272,
igr2=1069,1070,1071,
&end
#
# 84 GLN HG+ 70 THR MG2 3.50 (# 2026:25 Unique 2.32, 3.75 A)
&rst
ixpk= 2026, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1271,1272,
igr2=1069,1070,1071,
&end
#
# 84 GLN HB- 70 THR MG2 5.50 (# 2027:25 Unique 2.75, 4.58 A)
&rst
ixpk= 2027, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1268,1269,
igr2=1069,1070,1071,
&end
#
# 66 LEU MDY 70 THR MG2 5.50 (# 2028:25 Unique 2.30, 4.85 A)
&rst
ixpk= 2028, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1002,1003,1004,1006,1007,1008,
igr2=1069,1070,1071,
&end
#
# 0 AMB 25-2:2029 109 ALA HA 4.50 (# 2029:25 Single Ambig)
&rst
ixpk= 2029, nxpk= 25, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 716, 717, 716, 717,
&end
#
# 22 PRO HB+ 109 ALA HA 4.50 (# 2030:25 Unique 2.71, 3.46 A)
&rst
ixpk= 2030, nxpk= 25, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 325, 326,
&end
#
# 22 PRO HB- 109 ALA HA 4.50 (# 2031:25 Unique 2.71, 3.46 A)
&rst
ixpk= 2031, nxpk= 25, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 325, 326,
&end
#
# 22 PRO HG+ 109 ALA HA 5.50 (# 2032:25 Unique 2.50, 2.74 A)
&rst
ixpk= 2032, nxpk= 25, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 322, 323,
&end
#
# 109 ALA MB 109 ALA HA 2.50 (# 2033:25 Unique 2.43, 2.67 A)
&rst
ixpk= 2033, nxpk= 25, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1650,1651,1652,
&end
#
# 104 LEU MDX 109 ALA HA 7.00 (# 2034:25 Unique 4.94, 6.71 A)
&rst
ixpk= 2034, nxpk= 25, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1587,1588,1589,1591,1592,1593,
&end
#
# 81 GLY HA- 107 ALA HA 5.50 (# 2035:25 Unique 3.33, 3.98 A)
&rst
ixpk= 2035, nxpk= 25, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1230,1231,
&end
#
# 107 ALA MB 107 ALA HA 2.50 (# 2036:25 Unique 2.45, 2.66 A)
&rst
ixpk= 2036, nxpk= 25, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1630,1631,1632,
&end
#
# 104 LEU HA 107 ALA HA 5.50 (# 2038:25 Unique 5.28, 5.39 A)
&rst
ixpk= 2038, nxpk= 25, iat=1580,1628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 ASP HA 92 VAL MGX 4.50 (# 2042:25 Unique 2.11, 4.55 A)
&rst
ixpk= 2042, nxpk= 25, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 0 AMB 25-2:2043 92 VAL MGX 5.50 (# 2043:25 Single Ambig)
&rst
ixpk= 2043, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1339,1439,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 92 VAL HA 92 VAL MGX 3.50 (# 2044:25 Unique 2.47, 3.21 A)
&rst
ixpk= 2044, nxpk= 25, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 36 ARG HD+ 92 VAL MGX 5.50 (# 2045:25 Unique 2.42, 5.28 A)
&rst
ixpk= 2045, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 541, 542,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 96 GLN HG- 92 VAL MGX 4.50 (# 2046:25 Unique 2.96, 5.78 A)
&rst
ixpk= 2046, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1444,1445,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 96 GLN HG+ 92 VAL MGX 4.50 (# 2047:25 Unique 2.96, 5.78 A)
&rst
ixpk= 2047, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1444,1445,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 0 AMB 25-2:2048 92 VAL MGX 2.50 (# 2048:25 Single Ambig)
&rst
ixpk= 2048, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1371,1387,1388, 535, 536,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 40 LEU MDY 92 VAL MGX 5.50 (# 2049:25 Unique 2.30, 5.01 A)
&rst
ixpk= 2049, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 619, 620, 621, 623, 624, 625,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 40 LEU MDX 92 VAL MGX 4.50 (# 2050:25 Unique 2.30, 5.01 A)
&rst
ixpk= 2050, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 619, 620, 621, 623, 624, 625,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 40 LEU HG 92 VAL MGX 4.50 (# 2051:25 Unique 4.61, 6.47 A)
&rst
ixpk= 2051, nxpk= 25, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 44 VAL HA 44 VAL MGY 2.50 (# 2052:25 Unique 2.37, 3.50 A)
&rst
ixpk= 2052, nxpk= 25, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 0 AMB 25-2:2053 44 VAL MGY 4.50 (# 2053:25 Single Ambig)
&rst
ixpk= 2053, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 612, 664,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 41 LEU HA 44 VAL MGY 4.50 (# 2054:25 Unique 2.08, 4.08 A)
&rst
ixpk= 2054, nxpk= 25, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 44 VAL HB 44 VAL MGY 2.50 (# 2055:25 Unique 2.39, 2.65 A)
&rst
ixpk= 2055, nxpk= 25, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 0 AMB 25-2:2056 44 VAL MGY 4.50 (# 2056:25 Single Ambig)
&rst
ixpk= 2056, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1=1587,1588,1589,1591,1592,1593,1533,1530,1531,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 46 ALA MB 44 VAL MGY 3.50 (# 2057:25 Unique 2.32, 5.39 A)
&rst
ixpk= 2057, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 706, 707, 708,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 76 PRO HB+ 25 VAL MGY 5.50 (# 2058:25 Unique 2.33, 4.70 A)
&rst
ixpk= 2058, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1152,1153,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 38 LYS HA 25 VAL MGY 5.50 (# 2059:25 Unique 3.79, 5.37 A)
&rst
ixpk= 2059, nxpk= 25, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 48 TYR HB+ 25 VAL MGY 4.50 (# 2060:25 Unique 2.58, 5.86 A)
&rst
ixpk= 2060, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 727, 728,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 48 TYR HB- 25 VAL MGY 4.50 (# 2061:25 Unique 2.58, 5.86 A)
&rst
ixpk= 2061, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 727, 728,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 23 VAL HB 25 VAL MGY 5.50 (# 2062:25 Unique 4.58, 7.04 A)
&rst
ixpk= 2062, nxpk= 25, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 0 AMB 25-2:2063 25 VAL MGY 4.50 (# 2063:25 Single Ambig)
&rst
ixpk= 2063, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 581, 582, 636,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 0 AMB 25-2:2066 46 ALA MB 5.50 (# 2066:25 Single Ambig)
&rst
ixpk= 2066, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 697, 698,1528,
igr2= 706, 707, 708,
&end
#
# 0 AMB 25-2:2067 46 ALA MB 4.50 (# 2067:25 Single Ambig)
&rst
ixpk= 2067, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 727, 728, 683,
igr2= 706, 707, 708,
&end
#
# 23 VAL MGX 46 ALA MB 3.50 (# 2068:25 Unique 2.45, 5.07 A)
&rst
ixpk= 2068, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 338, 339, 340, 342, 343, 344,
igr2= 706, 707, 708,
&end
#
# 41 LEU MDY 46 ALA MB 4.50 (# 2069:25 Unique 2.58, 4.90 A)
&rst
ixpk= 2069, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 706, 707, 708,
&end
#
# 95 HIS HB+ 92 VAL MGX 5.50 (# 2070:25 Unique 4.09, 5.83 A)
&rst
ixpk= 2070, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1424,1425,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 81 GLY HA- 23 VAL MGY 5.50 (# 2072:25 Unique 5.89, 7.83 A)
&rst
ixpk= 2072, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1230,1231,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 27 SER HB+ 25 VAL MGX 3.50 (# 2074:25 Unique 2.15, 5.83 A)
&rst
ixpk= 2074, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 404, 405,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 0 AMB 25-2:2076 25 VAL MGX 2.50 (# 2076:25 Single Ambig)
&rst
ixpk= 2076, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 368, 559,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 0 AMB 25-2:2077 0 AMB 25-1:2077 4.50 (# 2077:25 Double Ambig)
&rst
ixpk= 2077, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 508,1146,1147,
igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
1184,1185,
&end
#
# 88 CYS HA 78 VAL MGY 5.50 (# 2078:25 Unique 3.64, 5.65 A)
&rst
ixpk= 2078, nxpk= 25, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 87 GLY HA- 78 VAL MGY 5.50 (# 2079:25 Unique 2.30, 5.78 A)
&rst
ixpk= 2079, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1309,1310,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 26 PHE HB+ 25 VAL MGX 4.50 (# 2080:25 Unique 5.05, 7.40 A)
&rst
ixpk= 2080, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 384, 385,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 0 AMB 25-2:2081 0 AMB 25-1:2081 3.50 (# 2081:25 Double Ambig)
&rst
ixpk= 2081, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1152,1153,1152,1153,
igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
1184,1185,
&end
#
# 38 LYS HG+ 25 VAL MGX 4.50 (# 2082:25 Unique 2.87, 4.91 A)
&rst
ixpk= 2082, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 578, 579,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 41 LEU MDX 0 AMB 25-1:2083 4.50 (# 2083:25 Single Ambig)
&rst
ixpk= 2083, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
1184,1185,
&end
#
# 24 VAL MGX 25 VAL MGX 5.50 (# 2085:25 Unique 5.24, 7.68 A)
&rst
ixpk= 2085, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 354, 355, 356, 358, 359, 360,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 41 LEU MDY 0 AMB 25-1:2086 3.50 (# 2086:25 Single Ambig)
&rst
ixpk= 2086, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
1184,1185,
&end
#
# 114 PRO HD- 111 ALA HA 5.50 (# 2089:25 Unique 2.40, 5.75 A)
&rst
ixpk= 2089, nxpk= 25, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1717,1718,
&end
#
# 0 AMB 25-2:2090 0 AMB 25-1:2090 2.50 (# 2090:25 Double Ambig)
&rst
ixpk= 2090, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1734,1735,1736,1674,1675,1676,
igr2=1732,1672,
&end
#
# 0 AMB 25-2:2095 21 ALA MB 2.50 (# 2095:25 Single Ambig)
&rst
ixpk= 2095, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 319, 320, 319, 320,
igr2= 312, 313, 314,
&end
#
# 0 AMB 25-2:2096 21 ALA MB 5.50 (# 2096:25 Single Ambig)
&rst
ixpk= 2096, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 727, 728, 757, 758,
igr2= 312, 313, 314,
&end
#
# 22 PRO HG- 21 ALA MB 3.50 (# 2097:25 Unique 3.82, 5.27 A)
&rst
ixpk= 2097, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 322, 323,
igr2= 312, 313, 314,
&end
#
# 22 PRO HG+ 21 ALA MB 5.50 (# 2098:25 Unique 3.82, 5.27 A)
&rst
ixpk= 2098, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 322, 323,
igr2= 312, 313, 314,
&end
#
# 49 LYS HB+ 21 ALA MB 3.50 (# 2099:25 Unique 2.31, 2.96 A)
&rst
ixpk= 2099, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 748, 749,
igr2= 312, 313, 314,
&end
#
# 49 LYS QD 21 ALA MB 3.50 (# 2100:25 Unique 2.85, 4.29 A)
&rst
ixpk= 2100, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 754, 755,
igr2= 312, 313, 314,
&end
#
# 20 SER HA 21 ALA MB 5.50 (# 2101:25 Unique 5.12, 5.73 A)
&rst
ixpk= 2101, nxpk= 25, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 312, 313, 314,
&end
#
# 49 LYS HE- 21 ALA MB 5.50 (# 2102:25 Unique 5.36, 6.36 A)
&rst
ixpk= 2102, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 757, 758,
igr2= 312, 313, 314,
&end
#
# 0 AMB 25-2:2103 21 ALA MB 5.50 (# 2103:25 Single Ambig)
&rst
ixpk= 2103, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 727, 728, 325, 326,
igr2= 312, 313, 314,
&end
#
# 24 VAL MGY 21 ALA MB 2.50 (# 2104:25 Unique 2.26, 5.19 A)
&rst
ixpk= 2104, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 354, 355, 356, 358, 359, 360,
igr2= 312, 313, 314,
&end
#
# 24 VAL MGX 21 ALA MB 5.50 (# 2105:25 Unique 2.26, 5.19 A)
&rst
ixpk= 2105, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 354, 355, 356, 358, 359, 360,
igr2= 312, 313, 314,
&end
#
# 22 PRO HA 21 ALA MB 4.50 (# 2106:25 Unique 4.97, 5.46 A)
&rst
ixpk= 2106, nxpk= 25, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 312, 313, 314,
&end
#
# 0 AMB 25-2:2107 46 ALA MB 5.50 (# 2107:25 Single Ambig)
&rst
ixpk= 2107, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1658,1648,
igr2= 706, 707, 708,
&end
#
# 0 AMB 25-2:2108 46 ALA MB 2.50 (# 2108:25 Single Ambig)
&rst
ixpk= 2108, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 633, 634, 685, 686, 687, 689, 690, 691, 685, 686,
687, 689, 690, 691, 338, 339, 340, 342, 343, 344,
igr2= 706, 707, 708,
&end
#
# 104 LEU MDX 46 ALA MB 2.50 (# 2109:25 Unique 2.22, 3.93 A)
&rst
ixpk= 2109, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1587,1588,1589,1591,1592,1593,
igr2= 706, 707, 708,
&end
#
# 41 LEU MDX 46 ALA MB 3.50 (# 2110:25 Unique 2.58, 4.90 A)
&rst
ixpk= 2110, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 706, 707, 708,
&end
#
# 48 TYR HB+ 46 ALA MB 5.50 (# 2111:25 Unique 3.20, 5.03 A)
&rst
ixpk= 2111, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 727, 728,
igr2= 706, 707, 708,
&end
#
# 0 AMB 25-2:2112 46 ALA MB 4.50 (# 2112:25 Single Ambig)
&rst
ixpk= 2112, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1650,1651,1652, 636,
igr2= 706, 707, 708,
&end
#
# 78 VAL HB 78 VAL MGY 2.50 (# 2114:25 Unique 2.42, 2.67 A)
&rst
ixpk= 2114, nxpk= 25, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 76 PRO HB- 0 AMB 25-1:2115 3.50 (# 2115:25 Single Ambig)
&rst
ixpk= 2115, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1152,1153,
igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
1184,1185,
&end
#
# 80 ILE HG1- 78 VAL MGY 4.50 (# 2116:25 Unique 2.43, 5.49 A)
&rst
ixpk= 2116, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1219,1220,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 41 LEU HB+ 25 VAL MGX 4.50 (# 2117:25 Unique 4.31, 6.68 A)
&rst
ixpk= 2117, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 633, 634,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 79 PHE HB+ 24 VAL MGX 5.50 (# 2120:25 Unique 3.70, 5.10 A)
&rst
ixpk= 2120, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1193,1194,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 25-2:2121 24 VAL MGX 5.50 (# 2121:25 Single Ambig)
&rst
ixpk= 2121, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 301, 302, 784,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 18 ALA HA 24 VAL MGX 3.50 (# 2122:25 Unique 2.20, 3.29 A)
&rst
ixpk= 2122, nxpk= 25, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 17 LEU HB+ 24 VAL MGX 5.50 (# 2123:25 Unique 2.87, 5.31 A)
&rst
ixpk= 2123, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 261, 262,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 24 VAL HB 24 VAL MGX 3.50 (# 2125:25 Unique 2.43, 2.67 A)
&rst
ixpk= 2125, nxpk= 25, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 49 LYS QD 24 VAL MGX 4.50 (# 2126:25 Unique 2.39, 4.47 A)
&rst
ixpk= 2126, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 754, 755,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 51 VAL MGX 24 VAL MGX 3.50 (# 2130:25 Unique 2.50, 6.46 A)
&rst
ixpk= 2130, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 788, 789, 790, 792, 793, 794,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 104 LEU MDY 109 ALA MB 5.50 (# 2133:25 Unique 2.40, 4.55 A)
&rst
ixpk= 2133, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1587,1588,1589,1591,1592,1593,
igr2=1650,1651,1652,
&end
#
# 46 ALA MB 109 ALA MB 3.50 (# 2135:25 Unique 2.47, 4.46 A)
&rst
ixpk= 2135, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 706, 707, 708,
igr2=1650,1651,1652,
&end
#
# 41 LEU MDX 109 ALA MB 5.50 (# 2136:25 Unique 4.78, 7.46 A)
&rst
ixpk= 2136, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 638, 639, 640, 642, 643, 644,
igr2=1650,1651,1652,
&end
#
# 0 AMB 25-2:2139 24 VAL MGX 5.50 (# 2139:25 Single Ambig)
&rst
ixpk= 2139, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 757, 758, 384, 385,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 49 LYS HE+ 24 VAL MGX 5.50 (# 2140:25 Unique 3.70, 5.62 A)
&rst
ixpk= 2140, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 757, 758,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 25 VAL HB 24 VAL MGX 5.50 (# 2141:25 Unique 5.16, 6.77 A)
&rst
ixpk= 2141, nxpk= 25, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 25-2:2142 24 VAL MGX 4.50 (# 2142:25 Single Ambig)
&rst
ixpk= 2142, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 312, 313, 314, 751, 752,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 109 ALA HA 109 ALA MB 2.50 (# 2145:25 Unique 2.43, 2.67 A)
&rst
ixpk= 2145, nxpk= 25, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1650,1651,1652,
&end
#
# 104 LEU HA 109 ALA MB 4.50 (# 2146:25 Unique 2.62, 3.56 A)
&rst
ixpk= 2146, nxpk= 25, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1650,1651,1652,
&end
#
# 22 PRO HB+ 109 ALA MB 4.50 (# 2148:25 Unique 2.29, 4.20 A)
&rst
ixpk= 2148, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 325, 326,
igr2=1650,1651,1652,
&end
#
# 0 AMB 25-2:2149 109 ALA MB 3.50 (# 2149:25 Single Ambig)
&rst
ixpk= 2149, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 325, 326,1582,1583,
igr2=1650,1651,1652,
&end
#
# 110 THR MG2 109 ALA MB 4.50 (# 2150:25 Unique 2.68, 5.03 A)
&rst
ixpk= 2150, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1662,1663,1664,
igr2=1650,1651,1652,
&end
#
# 23 VAL MGX 109 ALA MB 3.50 (# 2151:25 Unique 2.21, 4.57 A)
&rst
ixpk= 2151, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 338, 339, 340, 342, 343, 344,
igr2=1650,1651,1652,
&end
#
# 104 LEU MDX 109 ALA MB 4.50 (# 2152:25 Unique 2.40, 4.55 A)
&rst
ixpk= 2152, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1587,1588,1589,1591,1592,1593,
igr2=1650,1651,1652,
&end
#
# 81 GLY HA+ 107 ALA MB 3.50 (# 2158:25 Unique 2.60, 3.90 A)
&rst
ixpk= 2158, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1230,1231,
igr2=1630,1631,1632,
&end
#
# 0 AMB 25-2:2160 107 ALA MB 4.50 (# 2160:25 Single Ambig)
&rst
ixpk= 2160, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 322, 323, 336,
igr2=1630,1631,1632,
&end
#
# 0 AMB 25-2:2161 107 ALA MB 4.50 (# 2161:25 Single Ambig)
&rst
ixpk= 2161, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1566, 322, 323,
igr2=1630,1631,1632,
&end
#
# 0 AMB 25-2:2163 107 ALA MB 3.50 (# 2163:25 Single Ambig)
&rst
ixpk= 2163, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1587,1588,1589,1591,1592,1593,1222,1223,1224,
igr2=1630,1631,1632,
&end
#
# 44 VAL HB 44 VAL MGX 2.50 (# 2170:25 Unique 2.39, 2.65 A)
&rst
ixpk= 2170, nxpk= 25, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 0 AMB 25-2:2171 44 VAL MGX 4.50 (# 2171:25 Single Ambig)
&rst
ixpk= 2171, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 636, 614, 615,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 104 LEU HB- 44 VAL MGX 4.50 (# 2172:25 Unique 4.23, 6.11 A)
&rst
ixpk= 2172, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1582,1583,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 41 LEU MDX 44 VAL MGX 4.50 (# 2173:25 Unique 2.99, 7.13 A)
&rst
ixpk= 2173, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 41 LEU MDY 44 VAL MGX 5.50 (# 2174:25 Unique 2.99, 7.13 A)
&rst
ixpk= 2174, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 44 VAL HA 44 VAL MGX 3.50 (# 2175:25 Unique 2.37, 3.50 A)
&rst
ixpk= 2175, nxpk= 25, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 45 GLY HA+ 44 VAL MGX 4.50 (# 2176:25 Unique 4.67, 6.36 A)
&rst
ixpk= 2176, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 697, 698,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 41 LEU HA 44 VAL MGX 3.50 (# 2177:25 Unique 2.08, 4.08 A)
&rst
ixpk= 2177, nxpk= 25, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 104 LEU HB+ 44 VAL MGX 5.50 (# 2178:25 Unique 4.23, 6.11 A)
&rst
ixpk= 2178, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1582,1583,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 0 AMB 25-2:2179 44 VAL MGX 4.50 (# 2179:25 Single Ambig)
&rst
ixpk= 2179, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1=1587,1588,1589,1591,1592,1593,1533,1530,1531,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 46 ALA MB 44 VAL MGX 2.50 (# 2180:25 Unique 2.32, 5.39 A)
&rst
ixpk= 2180, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 706, 707, 708,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 101 LEU MDX 44 VAL MGX 3.50 (# 2181:25 Unique 2.19, 5.45 A)
&rst
ixpk= 2181, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1535,1536,1537,1539,1540,1541,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 0 AMB 25-2:2185 51 VAL MGX 5.50 (# 2185:25 Single Ambig)
&rst
ixpk= 2185, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 940, 941, 195, 196,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 0 AMB 25-2:2186 51 VAL MGX 3.50 (# 2186:25 Single Ambig)
&rst
ixpk= 2186, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 784, 815,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 18 ALA HA 51 VAL MGX 5.50 (# 2187:25 Unique 5.06, 7.30 A)
&rst
ixpk= 2187, nxpk= 25, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 49 LYS HE- 51 VAL MGX 4.50 (# 2188:25 Unique 2.19, 4.89 A)
&rst
ixpk= 2188, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 757, 758,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 49 LYS HE+ 51 VAL MGX 4.50 (# 2189:25 Unique 2.19, 4.89 A)
&rst
ixpk= 2189, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 757, 758,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 0 AMB 25-2:2190 51 VAL MGX 4.50 (# 2190:25 Single Ambig)
&rst
ixpk= 2190, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 261, 262, 820,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 0 AMB 25-2:2191 51 VAL MGX 5.50 (# 2191:25 Single Ambig)
&rst
ixpk= 2191, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 940, 941, 368, 805, 806,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 0 AMB 25-2:2192 51 VAL MGX 5.50 (# 2192:25 Single Ambig)
&rst
ixpk= 2192, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1= 266, 267, 268, 270, 271, 272, 866,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 51 VAL HB 51 VAL MGX 2.50 (# 2193:25 Unique 2.40, 2.66 A)
&rst
ixpk= 2193, nxpk= 25, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 49 LYS QD 51 VAL MGX 4.50 (# 2194:25 Unique 2.58, 6.05 A)
&rst
ixpk= 2194, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 754, 755,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 49 LYS HG- 51 VAL MGX 4.50 (# 2195:25 Unique 2.65, 5.79 A)
&rst
ixpk= 2195, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 751, 752,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 0 AMB 25-2:2196 51 VAL MGX 3.50 (# 2196:25 Single Ambig)
&rst
ixpk= 2196, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 822, 823, 824, 826, 827, 828, 261, 262,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 24 VAL MGX 51 VAL MGX 3.50 (# 2198:25 Unique 2.50, 6.46 A)
&rst
ixpk= 2198, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 354, 355, 356, 358, 359, 360,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 106 ASP HB- 107 ALA MB 5.50 (# 2200:25 Unique 4.19, 5.83 A)
&rst
ixpk= 2200, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1618,1619,
igr2=1630,1631,1632,
&end
#
# 80 ILE HG1+ 107 ALA MB 5.50 (# 2202:25 Unique 5.36, 6.13 A)
&rst
ixpk= 2202, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1219,1220,
igr2=1630,1631,1632,
&end
#
# 111 ALA HA 111 ALA MB 2.50 (# 2203:25 Unique 2.43, 2.66 A)
&rst
ixpk= 2203, nxpk= 25, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1674,1675,1676,
&end
#
# 0 AMB 25-2:2204 111 ALA MB 5.50 (# 2204:25 Single Ambig)
&rst
ixpk= 2204, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1717,1718,1717,1718,
igr2=1674,1675,1676,
&end
#
# 107 ALA HA 107 ALA MB 2.50 (# 2206:25 Unique 2.45, 2.66 A)
&rst
ixpk= 2206, nxpk= 25, iat=1628, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1630,1631,1632,
&end
#
# 104 LEU HA 107 ALA MB 4.50 (# 2207:25 Unique 2.49, 3.52 A)
&rst
ixpk= 2207, nxpk= 25, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1630,1631,1632,
&end
#
# 106 ASP HB+ 107 ALA MB 5.50 (# 2208:25 Unique 4.19, 5.83 A)
&rst
ixpk= 2208, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1618,1619,
igr2=1630,1631,1632,
&end
#
# 22 PRO HB+ 107 ALA MB 4.50 (# 2209:25 Unique 2.64, 4.19 A)
&rst
ixpk= 2209, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 325, 326,
igr2=1630,1631,1632,
&end
#
# 23 VAL MGX 107 ALA MB 4.50 (# 2210:25 Unique 4.11, 6.36 A)
&rst
ixpk= 2210, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 338, 339, 340, 342, 343, 344,
igr2=1630,1631,1632,
&end
#
# 80 ILE MG2 107 ALA MB 2.50 (# 2211:25 Unique 2.26, 3.21 A)
&rst
ixpk= 2211, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1215,1216,1217,
igr2=1630,1631,1632,
&end
#
# 106 ASP HB- 107 ALA MB 5.50 (# 2212:25 Unique 4.19, 5.83 A)
&rst
ixpk= 2212, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1618,1619,
igr2=1630,1631,1632,
&end
#
# 113 ASN HB- 114 PRO HD- 5.50 (# 2213:25 Unique 2.20, 4.62 A)
&rst
ixpk= 2213, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1706,1707,
igr2=1717,1718,
&end
#
# 113 ASN HB- 114 PRO HD+ 5.50 (# 2214:25 Unique 2.20, 4.62 A)
&rst
ixpk= 2214, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1706,1707,
igr2=1717,1718,
&end
#
# 80 ILE HG1+ 107 ALA MB 5.50 (# 2216:25 Unique 5.36, 6.13 A)
&rst
ixpk= 2216, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1219,1220,
igr2=1630,1631,1632,
&end
#
# 0 AMB 25-2:2217 10 ALA MB 2.50 (# 2217:25 Single Ambig)
&rst
ixpk= 2217, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 139, 98,
igr2= 141, 142, 143,
&end
#
# 0 AMB 25-2:2218 10 ALA MB 4.50 (# 2218:25 Single Ambig)
&rst
ixpk= 2218, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 149, 212,
igr2= 141, 142, 143,
&end
#
# 61 GLN HG- 10 ALA MB 4.50 (# 2219:25 Unique 2.55, 5.78 A)
&rst
ixpk= 2219, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 926, 927,
igr2= 141, 142, 143,
&end
#
# 61 GLN HG+ 10 ALA MB 4.50 (# 2220:25 Unique 2.55, 5.78 A)
&rst
ixpk= 2220, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 926, 927,
igr2= 141, 142, 143,
&end
#
# 61 GLN HB+ 10 ALA MB 4.50 (# 2221:25 Unique 2.31, 3.77 A)
&rst
ixpk= 2221, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 923, 924,
igr2= 141, 142, 143,
&end
#
# 61 GLN HB- 10 ALA MB 3.50 (# 2222:25 Unique 2.31, 3.77 A)
&rst
ixpk= 2222, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 923, 924,
igr2= 141, 142, 143,
&end
#
# 62 LEU MDX 10 ALA MB 4.50 (# 2223:25 Unique 2.28, 5.06 A)
&rst
ixpk= 2223, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 945, 946, 947, 949, 950, 951,
igr2= 141, 142, 143,
&end
#
# 0 AMB 25-2:2224 10 ALA MB 4.50 (# 2224:25 Single Ambig)
&rst
ixpk= 2224, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 151, 152, 100, 101, 198, 199,
igr2= 141, 142, 143,
&end
#
# 62 LEU MDY 10 ALA MB 2.50 (# 2225:25 Unique 2.28, 5.06 A)
&rst
ixpk= 2225, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 945, 946, 947, 949, 950, 951,
igr2= 141, 142, 143,
&end
#
# 33 TYR HB+ 76 PRO HD- 5.50 (# 2227:25 Unique 2.22, 2.70 A)
&rst
ixpk= 2227, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 489, 490,
igr2=1146,1147,
&end
#
# 37 VAL MGY 76 PRO HD- 5.50 (# 2228:25 Unique 4.39, 6.20 A)
&rst
ixpk= 2228, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 561, 562, 563, 565, 566, 567,
igr2=1146,1147,
&end
#
# 114 PRO HA 114 PRO HD- 5.50 (# 2229:25 Unique 3.34, 3.76 A)
&rst
ixpk= 2229, nxpk= 25, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1717,1718,
&end
#
# 114 PRO HB- 114 PRO HD- 4.50 (# 2231:25 Unique 2.76, 3.68 A)
&rst
ixpk= 2231, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1723,1724,
igr2=1717,1718,
&end
#
# 114 PRO QG 114 PRO HD- 2.50 (# 2232:25 Unique 2.29, 2.61 A)
&rst
ixpk= 2232, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1720,1721,
igr2=1717,1718,
&end
#
# 22 PRO HA 22 PRO HD- 5.50 (# 2233:25 Unique 3.42, 3.77 A)
&rst
ixpk= 2233, nxpk= 25, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 319, 320,
&end
#
# 22 PRO HG- 22 PRO HD- 4.50 (# 2234:25 Unique 2.34, 2.61 A)
&rst
ixpk= 2234, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 322, 323,
igr2= 319, 320,
&end
#
# 21 ALA MB 22 PRO HD- 3.50 (# 2235:25 Unique 2.12, 3.70 A)
&rst
ixpk= 2235, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 312, 313, 314,
igr2= 319, 320,
&end
#
# 22 PRO HB+ 22 PRO HD+ 5.50 (# 2236:25 Unique 2.79, 3.66 A)
&rst
ixpk= 2236, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 325, 326,
igr2= 319, 320,
&end
#
# 21 ALA MB 22 PRO HD+ 3.50 (# 2237:25 Unique 2.12, 3.70 A)
&rst
ixpk= 2237, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 312, 313, 314,
igr2= 319, 320,
&end
#
# 22 PRO HG- 22 PRO HD+ 4.50 (# 2239:25 Unique 2.34, 2.61 A)
&rst
ixpk= 2239, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 322, 323,
igr2= 319, 320,
&end
#
# 114 PRO QG 114 PRO HD+ 2.50 (# 2240:25 Unique 2.29, 2.61 A)
&rst
ixpk= 2240, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1720,1721,
igr2=1717,1718,
&end
#
# 111 ALA HA 114 PRO HD+ 5.50 (# 2241:25 Unique 2.40, 5.75 A)
&rst
ixpk= 2241, nxpk= 25, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1717,1718,
&end
#
# 114 PRO HB- 114 PRO HD+ 4.50 (# 2242:25 Unique 2.76, 3.68 A)
&rst
ixpk= 2242, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1723,1724,
igr2=1717,1718,
&end
#
# 0 AMB 25-2:2245 76 PRO HD- 3.50 (# 2245:25 Single Ambig)
&rst
ixpk= 2245, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1149,1150,1152,1153,
igr2=1146,1147,
&end
#
# 37 VAL MGY 76 PRO HD- 5.50 (# 2246:25 Unique 4.39, 6.20 A)
&rst
ixpk= 2246, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 561, 562, 563, 565, 566, 567,
igr2=1146,1147,
&end
#
# 33 TYR HB- 76 PRO HD+ 5.50 (# 2247:25 Unique 2.22, 2.70 A)
&rst
ixpk= 2247, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 489, 490,
igr2=1146,1147,
&end
#
# 76 PRO HD- 75 VAL MGX 5.50 (# 2249:25 Unique 4.12, 6.15 A)
&rst
ixpk= 2249, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1146,1147,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 101 LEU MDX 102 PRO HD- 5.50 (# 2250:25 Unique 2.43, 5.45 A)
&rst
ixpk= 2250, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1535,1536,1537,1539,1540,1541,
igr2=1546,1547,
&end
#
# 0 AMB 25-2:2257 9 ALA MB 2.50 (# 2257:25 Single Ambig)
&rst
ixpk= 2257, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 83, 129,
igr2= 131, 132, 133,
&end
#
# 8 ASP HB+ 9 ALA MB 5.50 (# 2259:25 Unique 4.39, 5.92 A)
&rst
ixpk= 2259, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 119, 120,
igr2= 131, 132, 133,
&end
#
# 0 AMB 25-2:2260 0 AMB 25-1:2260 5.50 (# 2260:25 Double Ambig)
&rst
ixpk= 2260, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 962, 963, 71, 72,
igr2=1016,1017,1018, 131, 132, 133,
&end
#
# 0 AMB 25-2:2261 0 AMB 25-1:2261 3.50 (# 2261:25 Double Ambig)
&rst
ixpk= 2261, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 945, 946, 947, 949, 950, 951, 170, 171,
igr2= 987, 988, 989, 131, 132, 133,
&end
#
# 8 ASP HB- 9 ALA MB 5.50 (# 2263:25 Unique 4.39, 5.92 A)
&rst
ixpk= 2263, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 119, 120,
igr2= 131, 132, 133,
&end
#
# 0 AMB 25-2:2264 0 AMB 25-1:2264 4.50 (# 2264:25 Double Ambig)
&rst
ixpk= 2264, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1= 88, 89, 923, 924, 959, 960,
igr2= 131, 132, 133, 987, 988, 989,1016,1017,1018,
&end
#
# 0 AMB 25-2:2265 0 AMB 25-1:2265 3.50 (# 2265:25 Double Ambig)
&rst
ixpk= 2265, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 997, 998, 85, 86, 997, 998, 68, 69,
igr2= 987, 988, 989, 131, 132, 133,1016,1017,1018,
&end
#
# 11 LEU HA 65 ALA MB 2.50 (# 2267:25 Unique 2.19, 3.09 A)
&rst
ixpk= 2267, nxpk= 25, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 987, 988, 989,
&end
#
# 67 ALA HA 67 ALA MB 2.50 (# 2268:25 Unique 2.43, 2.68 A)
&rst
ixpk= 2268, nxpk= 25, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1016,1017,1018,
&end
#
# 0 AMB 25-2:2269 0 AMB 25-1:2269 3.50 (# 2269:25 Double Ambig)
&rst
ixpk= 2269, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1043,1044,1026,1027,1026,1027,1026,1027,
igr2= 987, 988, 989,1016,1017,1018,
&end
#
# 0 AMB 25-2:2270 65 ALA MB 3.50 (# 2270:25 Single Ambig)
&rst
ixpk= 2270, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 945, 946, 947, 949, 950, 951, 156, 157, 158, 160,
161, 162,
igr2= 987, 988, 989,
&end
#
# 0 AMB 25-2:2271 65 ALA MB 2.50 (# 2271:25 Single Ambig)
&rst
ixpk= 2271, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 105, 106, 107, 109, 110, 111, 156, 157, 158, 160,
161, 162,
igr2= 987, 988, 989,
&end
#
# 66 LEU MDX 65 ALA MB 4.50 (# 2272:25 Unique 3.33, 6.21 A)
&rst
ixpk= 2272, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 987, 988, 989,
&end
#
# 66 LEU MDY 65 ALA MB 4.50 (# 2273:25 Unique 3.33, 6.21 A)
&rst
ixpk= 2273, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 987, 988, 989,
&end
#
# 75 VAL HA 75 VAL MGX 3.50 (# 2276:25 Unique 2.29, 3.46 A)
&rst
ixpk= 2276, nxpk= 25, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 0 AMB 25-2:2277 75 VAL MGX 5.50 (# 2277:25 Single Ambig)
&rst
ixpk= 2277, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1146,1147, 510, 511,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 27 SER HB+ 75 VAL MGX 5.50 (# 2278:25 Unique 4.64, 6.16 A)
&rst
ixpk= 2278, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 404, 405,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 0 AMB 25-2:2279 75 VAL MGX 3.50 (# 2279:25 Single Ambig)
&rst
ixpk= 2279, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 424, 425, 424, 425,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 31 CYS HB- 75 VAL MGX 5.50 (# 2280:25 Unique 3.39, 6.18 A)
&rst
ixpk= 2280, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 473, 472,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 75 VAL HB 75 VAL MGX 3.50 (# 2281:25 Unique 2.38, 2.65 A)
&rst
ixpk= 2281, nxpk= 25, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 28 LYS HD- 75 VAL MGX 4.50 (# 2282:25 Unique 2.29, 4.99 A)
&rst
ixpk= 2282, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 421, 422,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 28 LYS QG 75 VAL MGX 2.50 (# 2283:25 Unique 2.29, 4.26 A)
&rst
ixpk= 2283, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 418, 419,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 0 AMB 25-2:2285 102 PRO HD- 4.50 (# 2285:25 Single Ambig)
&rst
ixpk= 2285, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1494,1555,
igr2=1546,1547,
&end
#
# 102 PRO HB+ 102 PRO HD- 4.50 (# 2287:25 Unique 2.82, 3.70 A)
&rst
ixpk= 2287, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1552,1553,
igr2=1546,1547,
&end
#
# 102 PRO HG- 102 PRO HD- 3.50 (# 2288:25 Unique 2.28, 2.60 A)
&rst
ixpk= 2288, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1549,1550,
igr2=1546,1547,
&end
#
# 102 PRO HG+ 102 PRO HD- 3.50 (# 2289:25 Unique 2.28, 2.60 A)
&rst
ixpk= 2289, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1549,1550,
igr2=1546,1547,
&end
#
# 0 AMB 25-2:2290 102 PRO HD- 2.50 (# 2290:25 Single Ambig)
&rst
ixpk= 2290, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=1530,1531,1552,1553,
igr2=1546,1547,
&end
#
# 101 LEU HA 102 PRO HD- 5.50 (# 2291:25 Unique 3.98, 4.14 A)
&rst
ixpk= 2291, nxpk= 25, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1546,1547,
&end
#
# 0 AMB 25-2:2293 0 AMB 25-1:2293 4.50 (# 2293:25 Double Ambig)
&rst
ixpk= 2293, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1494,1555,
igr2=1546,1547,1546,1547,
&end
#
# 101 LEU HA 102 PRO HD+ 5.50 (# 2294:25 Unique 3.98, 4.14 A)
&rst
ixpk= 2294, nxpk= 25, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1546,1547,
&end
#
# 102 PRO HB+ 102 PRO HD+ 4.50 (# 2296:25 Unique 2.82, 3.70 A)
&rst
ixpk= 2296, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1552,1553,
igr2=1546,1547,
&end
#
# 102 PRO HG- 102 PRO HD+ 3.50 (# 2297:25 Unique 2.28, 2.60 A)
&rst
ixpk= 2297, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1549,1550,
igr2=1546,1547,
&end
#
# 102 PRO HG+ 102 PRO HD+ 4.50 (# 2298:25 Unique 2.28, 2.60 A)
&rst
ixpk= 2298, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1549,1550,
igr2=1546,1547,
&end
#
# 0 AMB 25-2:2299 0 AMB 25-1:2299 3.50 (# 2299:25 Double Ambig)
&rst
ixpk= 2299, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1530,1531,1552,1553,
igr2=1546,1547,1546,1547,
&end
#
# 0 AMB 25-2:2301 108 ALA MB 5.50 (# 2301:25 Single Ambig)
&rst
ixpk= 2301, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 322, 323,1601,1602,
igr2=1640,1641,1642,
&end
#
# 82 GLY HA+ 18 ALA MB 5.50 (# 2308:25 Unique 2.85, 5.13 A)
&rst
ixpk= 2308, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1237,1238,
igr2= 280, 281, 282,
&end
#
# 0 AMB 25-2:2309 18 ALA MB 4.50 (# 2309:25 Single Ambig)
&rst
ixpk= 2309, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 290, 291, 212, 244,
igr2= 280, 281, 282,
&end
#
# 0 AMB 25-2:2310 18 ALA MB 2.50 (# 2310:25 Single Ambig)
&rst
ixpk= 2310, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 222, 278,1237,1238,
igr2= 280, 281, 282,
&end
#
# 79 PHE HB+ 18 ALA MB 5.50 (# 2311:25 Unique 3.03, 4.46 A)
&rst
ixpk= 2311, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1193,1194,
igr2= 280, 281, 282,
&end
#
# 79 PHE HB- 18 ALA MB 5.50 (# 2312:25 Unique 3.03, 4.46 A)
&rst
ixpk= 2312, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1193,1194,
igr2= 280, 281, 282,
&end
#
# 17 LEU HB+ 18 ALA MB 4.50 (# 2313:25 Unique 4.24, 5.35 A)
&rst
ixpk= 2313, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 261, 262,
igr2= 280, 281, 282,
&end
#
# 24 VAL HB 18 ALA MB 4.50 (# 2314:25 Unique 3.97, 4.66 A)
&rst
ixpk= 2314, nxpk= 25, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 280, 281, 282,
&end
#
# 0 AMB 25-2:2315 18 ALA MB 5.50 (# 2315:25 Single Ambig)
&rst
ixpk= 2315, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1268,1269, 233, 234,
igr2= 280, 281, 282,
&end
#
# 0 AMB 25-2:2316 18 ALA MB 3.50 (# 2316:25 Single Ambig)
&rst
ixpk= 2316, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 224, 225, 214, 215, 216,
igr2= 280, 281, 282,
&end
#
# 15 LYS HG- 18 ALA MB 5.50 (# 2318:25 Unique 4.10, 5.54 A)
&rst
ixpk= 2318, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 227, 228,
igr2= 280, 281, 282,
&end
#
# 66 LEU MDX 18 ALA MB 4.50 (# 2319:25 Unique 4.62, 6.99 A)
&rst
ixpk= 2319, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 280, 281, 282,
&end
#
# 24 VAL MGX 18 ALA MB 4.50 (# 2320:25 Unique 4.11, 5.61 A)
&rst
ixpk= 2320, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 354, 355, 356, 358, 359, 360,
igr2= 280, 281, 282,
&end
#
# 15 LYS HG+ 18 ALA MB 5.50 (# 2321:25 Unique 4.10, 5.54 A)
&rst
ixpk= 2321, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 227, 228,
igr2= 280, 281, 282,
&end
#
# 103 LEU HG 80 ILE MG2 4.50 (# 2322:25 Unique 2.20, 3.38 A)
&rst
ixpk= 2322, nxpk= 25, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1215,1216,1217,
&end
#
# 46 ALA MB 80 ILE MG2 5.50 (# 2323:25 Unique 5.95, 7.69 A)
&rst
ixpk= 2323, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 706, 707, 708,
igr2=1215,1216,1217,
&end
#
# 0 AMB 25-2:2324 80 ILE MG2 2.50 (# 2324:25 Single Ambig)
&rst
ixpk= 2324, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 338, 339, 340, 342, 343, 344,1568,1569,1570,1572,
1573,1574,1568,1569,1570,1572,1573,1574,
igr2=1215,1216,1217,
&end
#
# 0 AMB 25-2:2325 80 ILE MG2 4.50 (# 2325:25 Single Ambig)
&rst
ixpk= 2325, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1230,1231,1561,
igr2=1215,1216,1217,
&end
#
# 104 LEU HA 80 ILE MG2 4.50 (# 2326:25 Unique 2.66, 3.50 A)
&rst
ixpk= 2326, nxpk= 25, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1215,1216,1217,
&end
#
# 22 PRO HB+ 80 ILE MG2 5.50 (# 2327:25 Unique 4.08, 5.87 A)
&rst
ixpk= 2327, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 325, 326,
igr2=1215,1216,1217,
&end
#
# 0 AMB 25-2:2328 80 ILE MG2 4.50 (# 2328:25 Single Ambig)
&rst
ixpk= 2328, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1563,1564, 325, 326,
igr2=1215,1216,1217,
&end
#
# 80 ILE HB 80 ILE MG2 3.50 (# 2329:25 Unique 2.36, 2.66 A)
&rst
ixpk= 2329, nxpk= 25, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1215,1216,1217,
&end
#
# 0 AMB 25-2:2330 80 ILE MG2 2.50 (# 2330:25 Single Ambig)
&rst
ixpk= 2330, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1630,1631,1632,1563,1564,
igr2=1215,1216,1217,
&end
#
# 80 ILE HG1+ 80 ILE MG2 3.50 (# 2331:25 Unique 2.60, 3.56 A)
&rst
ixpk= 2331, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1219,1220,
igr2=1215,1216,1217,
&end
#
# 108 ALA HA 108 ALA MB 2.50 (# 2333:25 Unique 2.41, 2.65 A)
&rst
ixpk= 2333, nxpk= 25, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1640,1641,1642,
&end
#
# 22 PRO HB+ 108 ALA MB 5.50 (# 2334:25 Unique 4.23, 5.81 A)
&rst
ixpk= 2334, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 325, 326,
igr2=1640,1641,1642,
&end
#
# 0 AMB 25-2:2337 14 ALA MB 2.50 (# 2337:25 Single Ambig)
&rst
ixpk= 2337, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 212, 149,
igr2= 214, 215, 216,
&end
#
# 0 AMB 25-2:2338 14 ALA MB 4.50 (# 2338:25 Single Ambig)
&rst
ixpk= 2338, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 222, 168,
igr2= 214, 215, 216,
&end
#
# 0 AMB 25-2:2339 14 ALA MB 5.50 (# 2339:25 Single Ambig)
&rst
ixpk= 2339, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1043,1044, 384, 385,
igr2= 214, 215, 216,
&end
#
# 17 LEU HB+ 14 ALA MB 5.50 (# 2340:25 Unique 4.32, 5.66 A)
&rst
ixpk= 2340, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 261, 262,
igr2= 214, 215, 216,
&end
#
# 66 LEU HB+ 14 ALA MB 4.50 (# 2341:25 Unique 3.32, 6.12 A)
&rst
ixpk= 2341, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 997, 998,
igr2= 214, 215, 216,
&end
#
# 0 AMB 25-2:2342 14 ALA MB 4.50 (# 2342:25 Single Ambig)
&rst
ixpk= 2342, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 266, 267, 268, 270, 271, 272, 192, 193,
igr2= 214, 215, 216,
&end
#
# 62 LEU MDX 14 ALA MB 4.50 (# 2343:25 Unique 2.24, 4.57 A)
&rst
ixpk= 2343, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 945, 946, 947, 949, 950, 951,
igr2= 214, 215, 216,
&end
#
# 0 AMB 25-2:2344 14 ALA MB 4.50 (# 2344:25 Single Ambig)
&rst
ixpk= 2344, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 151, 152, 233, 234, 198, 199,
igr2= 214, 215, 216,
&end
#
# 62 LEU MDY 14 ALA MB 2.50 (# 2346:25 Unique 2.24, 4.57 A)
&rst
ixpk= 2346, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 945, 946, 947, 949, 950, 951,
igr2= 214, 215, 216,
&end
#
# 66 LEU MDX 14 ALA MB 3.50 (# 2347:25 Unique 2.35, 4.34 A)
&rst
ixpk= 2347, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 214, 215, 216,
&end
#
# 66 LEU MDY 14 ALA MB 4.50 (# 2348:25 Unique 2.35, 4.34 A)
&rst
ixpk= 2348, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 214, 215, 216,
&end
#
# 15 LYS HG+ 14 ALA MB 5.50 (# 2349:25 Unique 3.62, 5.36 A)
&rst
ixpk= 2349, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 227, 228,
igr2= 214, 215, 216,
&end
#
# 66 LEU HA 14 ALA MB 4.50 (# 2351:25 Unique 3.67, 4.72 A)
&rst
ixpk= 2351, nxpk= 25, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 214, 215, 216,
&end
#
# 62 LEU HA 14 ALA MB 4.50 (# 2352:25 Unique 3.83, 5.09 A)
&rst
ixpk= 2352, nxpk= 25, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 214, 215, 216,
&end
#
# 17 LEU HB- 14 ALA MB 4.50 (# 2353:25 Unique 4.32, 5.66 A)
&rst
ixpk= 2353, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 261, 262,
igr2= 214, 215, 216,
&end
#
# 78 VAL HB 85 ILE MG2 5.50 (# 2355:25 Unique 3.61, 4.98 A)
&rst
ixpk= 2355, nxpk= 25, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1287,1288,1289,
&end
#
# 85 ILE HA 85 ILE MG2 3.50 (# 2356:25 Unique 2.53, 3.18 A)
&rst
ixpk= 2356, nxpk= 25, iat=1283, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1287,1288,1289,
&end
#
# 90 THR HB 85 ILE MG2 4.50 (# 2357:25 Unique 3.19, 4.46 A)
&rst
ixpk= 2357, nxpk= 25, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1287,1288,1289,
&end
#
# 86 GLY HA- 85 ILE MG2 5.50 (# 2358:25 Unique 3.49, 5.21 A)
&rst
ixpk= 2358, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1302,1303,
igr2=1287,1288,1289,
&end
#
# 91 VAL HA 85 ILE MG2 4.50 (# 2359:25 Unique 3.99, 4.94 A)
&rst
ixpk= 2359, nxpk= 25, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1287,1288,1289,
&end
#
# 0 AMB 25-2:2360 85 ILE MG2 3.50 (# 2360:25 Single Ambig)
&rst
ixpk= 2360, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1411,1412,1411,1412,
igr2=1287,1288,1289,
&end
#
# 91 VAL HB 85 ILE MG2 5.50 (# 2361:25 Unique 4.94, 6.18 A)
&rst
ixpk= 2361, nxpk= 25, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1287,1288,1289,
&end
#
# 0 AMB 25-2:2362 85 ILE MG2 2.50 (# 2362:25 Single Ambig)
&rst
ixpk= 2362, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1291,1292,1285,
igr2=1287,1288,1289,
&end
#
# 0 AMB 25-2:2363 85 ILE MG2 4.50 (# 2363:25 Single Ambig)
&rst
ixpk= 2363, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1213,1405,1406,1271,1272,
igr2=1287,1288,1289,
&end
#
# 94 LYS HD+ 85 ILE MG2 4.50 (# 2364:25 Unique 2.75, 3.52 A)
&rst
ixpk= 2364, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1408,1409,
igr2=1287,1288,1289,
&end
#
# 90 THR MG2 85 ILE MG2 3.50 (# 2365:25 Unique 2.77, 4.26 A)
&rst
ixpk= 2365, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1343,1344,1345,
igr2=1287,1288,1289,
&end
#
# 85 ILE HG1+ 85 ILE MG2 3.50 (# 2366:25 Unique 2.35, 3.46 A)
&rst
ixpk= 2366, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1291,1292,
igr2=1287,1288,1289,
&end
#
# 0 AMB 25-2:2367 85 ILE MG2 2.50 (# 2367:25 Single Ambig)
&rst
ixpk= 2367, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
1362,1363,
igr2=1287,1288,1289,
&end
#
# 53 LEU HA 59 GLY HA+ 5.50 (# 2370:25 Unique 2.60, 3.58 A)
&rst
ixpk= 2370, nxpk= 25, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 903, 904,
&end
#
# 62 LEU HB+ 59 GLY HA+ 5.50 (# 2371:25 Unique 2.31, 3.83 A)
&rst
ixpk= 2371, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 940, 941,
igr2= 903, 904,
&end
#
# 56 LEU HB+ 59 GLY HA+ 5.50 (# 2372:25 Unique 2.26, 3.49 A)
&rst
ixpk= 2372, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 863, 864,
igr2= 903, 904,
&end
#
# 56 LEU MDY 59 GLY HA+ 4.50 (# 2373:25 Unique 2.27, 5.20 A)
&rst
ixpk= 2373, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 868, 869, 870, 872, 873, 874,
igr2= 903, 904,
&end
#
# 53 LEU MDX 59 GLY HA+ 4.50 (# 2374:25 Unique 2.29, 5.11 A)
&rst
ixpk= 2374, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 822, 823, 824, 826, 827, 828,
igr2= 903, 904,
&end
#
# 0 AMB 25-2:2375 32 GLY QA 4.50 (# 2375:25 Single Ambig)
&rst
ixpk= 2375, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 470, 519,
igr2= 480, 481,
&end
#
# 35 ASN HB+ 32 GLY QA 4.50 (# 2376:25 Unique 2.32, 3.93 A)
&rst
ixpk= 2376, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 521, 522,
igr2= 480, 481,
&end
#
# 0 AMB 25-2:2383 0 AMB 25-1:2383 3.50 (# 2383:25 Double Ambig)
&rst
ixpk= 2383, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1630,1631,1632,1249,1250,
igr2=1230,1231,1230,1231,
&end
#
# 80 ILE MG2 81 GLY HA+ 4.50 (# 2384:25 Unique 3.28, 4.59 A)
&rst
ixpk= 2384, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1215,1216,1217,
igr2=1230,1231,
&end
#
# 80 ILE MG2 81 GLY HA- 5.50 (# 2385:25 Unique 3.28, 4.59 A)
&rst
ixpk= 2385, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1215,1216,1217,
igr2=1230,1231,
&end
#
# 0 AMB 25-2:2387 81 GLY HA- 4.50 (# 2387:25 Single Ambig)
&rst
ixpk= 2387, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1630,1631,1632,1249,1250,
igr2=1230,1231,
&end
#
# 0 AMB 25-2:2395 80 ILE MD1 4.50 (# 2395:25 Single Ambig)
&rst
ixpk= 2395, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1509,1283,
igr2=1222,1223,1224,
&end
#
# 104 LEU HA 80 ILE MD1 5.50 (# 2396:25 Unique 3.53, 4.87 A)
&rst
ixpk= 2396, nxpk= 25, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1222,1223,1224,
&end
#
# 103 LEU HB+ 80 ILE MD1 4.50 (# 2397:25 Unique 3.34, 5.15 A)
&rst
ixpk= 2397, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1563,1564,
igr2=1222,1223,1224,
&end
#
# 103 LEU HG 80 ILE MD1 4.50 (# 2398:25 Unique 2.80, 3.85 A)
&rst
ixpk= 2398, nxpk= 25, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1222,1223,1224,
&end
#
# 0 AMB 25-2:2399 80 ILE MD1 2.50 (# 2399:25 Single Ambig)
&rst
ixpk= 2399, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1219,1220,1563,1564,
igr2=1222,1223,1224,
&end
#
# 0 AMB 25-2:2400 80 ILE MD1 2.50 (# 2400:25 Single Ambig)
&rst
ixpk= 2400, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1291,1292,1219,1220,
igr2=1222,1223,1224,
&end
#
# 41 LEU MDX 80 ILE MD1 5.50 (# 2401:25 Unique 3.39, 6.02 A)
&rst
ixpk= 2401, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 638, 639, 640, 642, 643, 644,
igr2=1222,1223,1224,
&end
#
# 85 ILE HG1- 80 ILE MD1 3.50 (# 2402:25 Unique 2.29, 3.99 A)
&rst
ixpk= 2402, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1291,1292,
igr2=1222,1223,1224,
&end
#
# 0 AMB 25-2:2403 80 ILE MD1 3.50 (# 2403:25 Single Ambig)
&rst
ixpk= 2403, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
1573,1574,
igr2=1222,1223,1224,
&end
#
# 67 ALA MB 73 GLY HA+ 3.50 (# 2414:25 Unique 2.24, 3.47 A)
&rst
ixpk= 2414, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1016,1017,1018,
igr2=1110,1111,
&end
#
# 67 ALA MB 73 GLY HA- 3.50 (# 2416:25 Unique 2.24, 3.47 A)
&rst
ixpk= 2416, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1016,1017,1018,
igr2=1110,1111,
&end
#
# 90 THR MG2 86 GLY HA- 5.50 (# 2419:25 Unique 2.26, 4.09 A)
&rst
ixpk= 2419, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1343,1344,1345,
igr2=1302,1303,
&end
#
# 90 THR MG2 86 GLY HA- 5.50 (# 2422:25 Unique 2.26, 4.09 A)
&rst
ixpk= 2422, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1343,1344,1345,
igr2=1302,1303,
&end
#
# 97 ARG HA 97 ARG QD 4.50 (# 2427:25 Unique 3.94, 4.53 A)
&rst
ixpk= 2427, nxpk= 25, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1464,1465,
&end
#
# 93 GLU HG+ 97 ARG QD 4.50 (# 2428:25 Unique 2.13, 4.26 A)
&rst
ixpk= 2428, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1390,1391,
igr2=1464,1465,
&end
#
# 97 ARG HG- 97 ARG QD 2.50 (# 2429:25 Unique 2.41, 2.65 A)
&rst
ixpk= 2429, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1461,1462,
igr2=1464,1465,
&end
#
# 36 ARG HA 36 ARG HD- 4.50 (# 2430:25 Unique 2.16, 4.50 A)
&rst
ixpk= 2430, nxpk= 25, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 541, 542,
&end
#
# 36 ARG HG+ 36 ARG HD- 3.50 (# 2431:25 Unique 2.33, 2.70 A)
&rst
ixpk= 2431, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 538, 539,
igr2= 541, 542,
&end
#
# 36 ARG HB- 36 ARG HD- 4.50 (# 2432:25 Unique 2.37, 3.03 A)
&rst
ixpk= 2432, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 535, 536,
igr2= 541, 542,
&end
#
# 36 ARG HB+ 36 ARG HD- 4.50 (# 2433:25 Unique 2.37, 3.03 A)
&rst
ixpk= 2433, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 535, 536,
igr2= 541, 542,
&end
#
# 36 ARG HG- 36 ARG HD- 3.50 (# 2434:25 Unique 2.33, 2.70 A)
&rst
ixpk= 2434, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 538, 539,
igr2= 541, 542,
&end
#
# 0 AMB 25-2:2435 0 AMB 25-1:2435 2.50 (# 2435:25 Double Ambig)
&rst
ixpk= 2435, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1458,1459, 535, 536,1496,1497,
igr2=1464,1465, 541, 542,
&end
#
# 0 AMB 25-2:2436 0 AMB 25-1:2436 2.50 (# 2436:25 Double Ambig)
&rst
ixpk= 2436, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 538, 539,1458,1459,1461,1462,
igr2= 541, 542,1464,1465,
&end
#
# 36 ARG HA 36 ARG HD+ 4.50 (# 2437:25 Unique 2.16, 4.50 A)
&rst
ixpk= 2437, nxpk= 25, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 541, 542,
&end
#
# 92 VAL MGY 36 ARG HD+ 4.50 (# 2438:25 Unique 2.42, 5.28 A)
&rst
ixpk= 2438, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1373,1374,1375,1377,1378,1379,
igr2= 541, 542,
&end
#
# 0 AMB 25-2:2440 0 AMB 25-1:2440 3.50 (# 2440:25 Double Ambig)
&rst
ixpk= 2440, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 868, 869, 870, 872, 873, 874, 788, 789, 790, 792,
793, 794, 822, 823, 824, 826, 827, 828,
igr2= 863, 864, 863, 864, 863, 864,
&end
#
# 56 LEU MDY 56 LEU HB- 3.50 (# 2441:25 Unique 2.40, 3.34 A)
&rst
ixpk= 2441, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 868, 869, 870, 872, 873, 874,
igr2= 863, 864,
&end
#
# 92 VAL MGY 36 ARG HD- 5.50 (# 2443:25 Unique 2.42, 5.28 A)
&rst
ixpk= 2443, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1373,1374,1375,1377,1378,1379,
igr2= 541, 542,
&end
#
# 33 TYR HA 36 ARG HD- 5.50 (# 2444:25 Unique 2.19, 4.05 A)
&rst
ixpk= 2444, nxpk= 25, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 541, 542,
&end
#
# 117 LEU HA 117 LEU QB 5.50 (# 2445:25 Unique 2.29, 2.70 A)
&rst
ixpk= 2445, nxpk= 25, iat=1759, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1761,1762,
&end
#
# 0 AMB 25-2:2446 0 AMB 25-1:2446 4.50 (# 2446:25 Double Ambig)
&rst
ixpk= 2446, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 212, 259,
igr2= 261, 262, 261, 262,
&end
#
# 17 LEU MDY 17 LEU HB+ 4.50 (# 2447:25 Unique 2.40, 3.31 A)
&rst
ixpk= 2447, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 266, 267, 268, 270, 271, 272,
igr2= 261, 262,
&end
#
# 0 AMB 25-2:2449 0 AMB 25-1:2449 3.50 (# 2449:25 Double Ambig)
&rst
ixpk= 2449, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 264, 354, 355, 356, 358, 359, 360,
igr2= 261, 262, 261, 262,
&end
#
# 0 AMB 25-2:2451 17 LEU HB- 4.50 (# 2451:25 Single Ambig)
&rst
ixpk= 2451, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 212, 259,
igr2= 261, 262,
&end
#
# 17 LEU MDY 17 LEU HB- 5.50 (# 2453:25 Unique 2.40, 3.31 A)
&rst
ixpk= 2453, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 266, 267, 268, 270, 271, 272,
igr2= 261, 262,
&end
#
# 0 AMB 25-2:2454 17 LEU HB- 3.50 (# 2454:25 Single Ambig)
&rst
ixpk= 2454, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 788, 789, 790, 792, 793, 794, 264, 354, 355, 356,
358, 359, 360,
igr2= 261, 262,
&end
#
# 17 LEU MDX 17 LEU HB- 3.50 (# 2455:25 Unique 2.40, 3.31 A)
&rst
ixpk= 2455, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 266, 267, 268, 270, 271, 272,
igr2= 261, 262,
&end
#
# 24 VAL HB 79 PHE HB+ 5.50 (# 2456:25 Unique 2.25, 2.98 A)
&rst
ixpk= 2456, nxpk= 25, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1193,1194,
&end
#
# 0 AMB 25-2:2457 28 LYS HE- 4.50 (# 2457:25 Single Ambig)
&rst
ixpk= 2457, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 421, 422, 817, 818,
igr2= 424, 425,
&end
#
# 0 AMB 25-2:2458 28 LYS HE- 3.50 (# 2458:25 Single Ambig)
&rst
ixpk= 2458, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1135,1136,1137,1139,1140,1141, 822, 823, 824, 826,
827, 828,
igr2= 424, 425,
&end
#
# 0 AMB 25-2:2459 0 AMB 25-1:2459 4.50 (# 2459:25 Double Ambig)
&rst
ixpk= 2459, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 421, 422, 817, 818,
igr2= 424, 425, 424, 425,
&end
#
# 28 LYS HB- 28 LYS HE+ 5.50 (# 2460:25 Unique 2.16, 4.50 A)
&rst
ixpk= 2460, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 415, 416,
igr2= 424, 425,
&end
#
# 0 AMB 25-2:2461 0 AMB 25-1:2461 3.50 (# 2461:25 Double Ambig)
&rst
ixpk= 2461, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1135,1136,1137,1139,1140,1141, 822, 823, 824, 826,
827, 828,
igr2= 424, 425, 424, 425,
&end
#
# 24 VAL HB 79 PHE HB- 5.50 (# 2462:25 Unique 2.25, 2.98 A)
&rst
ixpk= 2462, nxpk= 25, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1193,1194,
&end
#
# 0 AMB 25-2:2463 79 PHE HB- 5.50 (# 2463:25 Single Ambig)
&rst
ixpk= 2463, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 280, 281, 282, 354, 355, 356, 358, 359, 360,
igr2=1193,1194,
&end
#
# 0 AMB 25-2:2465 0 AMB 25-1:2465 5.50 (# 2465:25 Double Ambig)
&rst
ixpk= 2465, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 280, 281, 282, 354, 355, 356, 358, 359, 360,
igr2=1193,1194,1193,1194,
&end
#
# 0 AMB 25-2:2467 0 AMB 25-1:2467 4.50 (# 2467:25 Double Ambig)
&rst
ixpk= 2467, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1088,1089,1091,1092,
igr2=1094,1095,1094,1095,
&end
#
# 72 ARG HG- 72 ARG HD+ 4.50 (# 2468:25 Unique 2.33, 2.73 A)
&rst
ixpk= 2468, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1091,1092,
igr2=1094,1095,
&end
#
# 100 LEU HG 100 LEU HB+ 4.50 (# 2471:25 Unique 2.34, 2.78 A)
&rst
ixpk= 2471, nxpk= 25, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1511,1512,
&end
#
# 0 AMB 25-2:2472 0 AMB 25-1:2472 3.50 (# 2472:25 Double Ambig)
&rst
ixpk= 2472, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
1521,1522,
igr2=1511,1512,1511,1512,
&end
#
# 100 LEU HA 100 LEU HB+ 5.50 (# 2473:25 Unique 2.48, 2.79 A)
&rst
ixpk= 2473, nxpk= 25, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1511,1512,
&end
#
# 100 LEU HA 100 LEU HB- 4.50 (# 2474:25 Unique 2.48, 2.79 A)
&rst
ixpk= 2474, nxpk= 25, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1511,1512,
&end
#
# 83 LYS QB 83 LYS QE 4.50 (# 2477:25 Unique 2.11, 4.01 A)
&rst
ixpk= 2477, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1246,1247,
igr2=1255,1256,
&end
#
# 83 LYS QD 83 LYS QE 2.50 (# 2478:25 Unique 2.35, 2.73 A)
&rst
ixpk= 2478, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1252,1253,
igr2=1255,1256,
&end
#
# 83 LYS QG 83 LYS QE 3.50 (# 2479:25 Unique 2.40, 3.10 A)
&rst
ixpk= 2479, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1249,1250,
igr2=1255,1256,
&end
#
# 85 ILE MD1 83 LYS QE 5.50 (# 2481:25 Unique 2.49, 5.70 A)
&rst
ixpk= 2481, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1294,1295,1296,
igr2=1255,1256,
&end
#
# 0 AMB 25-2:2482 0 AMB 25-1:2482 5.50 (# 2482:25 Double Ambig)
&rst
ixpk= 2482, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 190, 44,
igr2= 201, 202, 55, 56,
&end
#
# 0 AMB 25-2:2484 0 AMB 25-1:2484 2.50 (# 2484:25 Double Ambig)
&rst
ixpk= 2484, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1088,1089, 754, 755,1091,1092,
igr2=1094,1095, 757, 758,
&end
#
# 0 AMB 25-2:2485 0 AMB 25-1:2485 2.50 (# 2485:25 Double Ambig)
&rst
ixpk= 2485, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=1091,1092, 751, 752,
igr2=1094,1095, 757, 758,
&end
#
# 51 VAL MGX 49 LYS HE- 4.50 (# 2486:25 Unique 2.19, 4.89 A)
&rst
ixpk= 2486, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 788, 789, 790, 792, 793, 794,
igr2= 757, 758,
&end
#
# 49 LYS HG- 49 LYS HE+ 3.50 (# 2489:25 Unique 2.42, 3.24 A)
&rst
ixpk= 2489, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 751, 752,
igr2= 757, 758,
&end
#
# 51 VAL MGX 49 LYS HE+ 4.50 (# 2490:25 Unique 2.19, 4.89 A)
&rst
ixpk= 2490, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 788, 789, 790, 792, 793, 794,
igr2= 757, 758,
&end
#
# 103 LEU HA 103 LEU HB+ 3.50 (# 2492:25 Unique 2.41, 2.75 A)
&rst
ixpk= 2492, nxpk= 25, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1563,1564,
&end
#
# 103 LEU HG 103 LEU HB+ 4.50 (# 2494:25 Unique 2.31, 2.70 A)
&rst
ixpk= 2494, nxpk= 25, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1563,1564,
&end
#
# 0 AMB 25-2:2495 0 AMB 25-1:2495 3.50 (# 2495:25 Double Ambig)
&rst
ixpk= 2495, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
1573,1574,
igr2=1563,1564,1563,1564,
&end
#
# 0 AMB 25-2:2496 0 AMB 25-1:2496 5.50 (# 2496:25 Double Ambig)
&rst
ixpk= 2496, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 903, 904,1110,1111,
igr2= 940, 941, 997, 998,
&end
#
# 62 LEU MDX 0 AMB 25-1:2497 4.50 (# 2497:25 Single Ambig)
&rst
ixpk= 2497, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 945, 946, 947, 949, 950, 951,
igr2= 940, 941, 997, 998,
&end
#
# 0 AMB 25-2:2498 0 AMB 25-1:2498 3.50 (# 2498:25 Double Ambig)
&rst
ixpk= 2498, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1000, 987, 988, 989,
igr2= 997, 998, 997, 998,
&end
#
# 0 AMB 25-2:2500 0 AMB 25-1:2500 3.50 (# 2500:25 Double Ambig)
&rst
ixpk= 2500, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 943, 868, 869, 870, 872, 873, 874,
igr2= 940, 941, 940, 941,
&end
#
# 0 AMB 25-2:2501 0 AMB 25-1:2501 4.50 (# 2501:25 Double Ambig)
&rst
ixpk= 2501, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 938, 815,
igr2= 940, 941, 940, 941,
&end
#
# 63 GLN HA 66 LEU HB+ 5.50 (# 2502:25 Unique 2.09, 3.22 A)
&rst
ixpk= 2502, nxpk= 25, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 997, 998,
&end
#
# 66 LEU MDX 66 LEU HB+ 4.50 (# 2503:25 Unique 2.28, 3.55 A)
&rst
ixpk= 2503, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 997, 998,
&end
#
# 66 LEU MDY 0 AMB 25-1:2504 3.50 (# 2504:25 Single Ambig)
&rst
ixpk= 2504, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 997, 998, 940, 941,
&end
#
# 103 LEU HA 103 LEU HB- 3.50 (# 2505:25 Unique 2.41, 2.75 A)
&rst
ixpk= 2505, nxpk= 25, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1563,1564,
&end
#
# 103 LEU HG 103 LEU HB- 4.50 (# 2507:25 Unique 2.31, 2.70 A)
&rst
ixpk= 2507, nxpk= 25, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1563,1564,
&end
#
# 0 AMB 25-2:2508 103 LEU HB- 2.50 (# 2508:25 Single Ambig)
&rst
ixpk= 2508, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
1573,1574,
igr2=1563,1564,
&end
#
# 0 AMB 25-2:2509 103 LEU HB- 4.50 (# 2509:25 Single Ambig)
&rst
ixpk= 2509, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
1521,1522,1215,1216,1217,
igr2=1563,1564,
&end
#
# 66 LEU MDY 66 LEU HB- 4.50 (# 2510:25 Unique 2.28, 3.55 A)
&rst
ixpk= 2510, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 997, 998,
&end
#
# 66 LEU HA 66 LEU HB- 4.50 (# 2511:25 Unique 2.43, 2.87 A)
&rst
ixpk= 2511, nxpk= 25, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 997, 998,
&end
#
# 66 LEU HG 66 LEU HB- 3.50 (# 2512:25 Unique 2.32, 2.41 A)
&rst
ixpk= 2512, nxpk= 25, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 997, 998,
&end
#
# 66 LEU MDX 66 LEU HB- 4.50 (# 2513:25 Unique 2.28, 3.55 A)
&rst
ixpk= 2513, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 997, 998,
&end
#
# 63 GLN HA 66 LEU HB- 5.50 (# 2514:25 Unique 2.09, 3.22 A)
&rst
ixpk= 2514, nxpk= 25, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 997, 998,
&end
#
# 100 LEU HG 100 LEU HB- 3.50 (# 2516:25 Unique 2.34, 2.78 A)
&rst
ixpk= 2516, nxpk= 25, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1511,1512,
&end
#
# 0 AMB 25-2:2517 0 AMB 25-1:2517 3.50 (# 2517:25 Double Ambig)
&rst
ixpk= 2517, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 938,1400,
igr2= 940, 941,1511,1512,
&end
#
# 0 AMB 25-2:2519 0 AMB 25-1:2519 4.50 (# 2519:25 Double Ambig)
&rst
ixpk= 2519, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 945, 946, 947, 949, 950, 951,1587,1588,1589,1591,
1592,1593,1530,1531,
igr2= 940, 941,1511,1512,
&end
#
# 0 AMB 25-2:2520 0 AMB 25-1:2520 2.50 (# 2520:25 Double Ambig)
&rst
ixpk= 2520, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 943,1516,1517,1518,1520,1521,1522, 868, 869, 870,
872, 873, 874,
igr2= 940, 941,1511,1512,
&end
#
# 0 AMB 25-2:2525 0 AMB 25-1:2525 2.50 (# 2525:25 Double Ambig)
&rst
ixpk= 2525, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1690,1691, 198, 199, 52, 53,
igr2=1693,1694, 201, 202, 55, 56,
&end
#
# 0 AMB 25-2:2526 0 AMB 25-1:2526 2.50 (# 2526:25 Double Ambig)
&rst
ixpk= 2526, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1687,1688, 49, 50, 49, 50,
igr2=1693,1694, 55, 56,
&end
#
# 0 AMB 25-2:2527 13 LYS QE 4.50 (# 2527:25 Single Ambig)
&rst
ixpk= 2527, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 266, 267, 268, 270, 271, 272, 868, 869, 870, 872,
873, 874,
igr2= 201, 202,
&end
#
# 0 AMB 25-2:2528 13 LYS QE 5.50 (# 2528:25 Single Ambig)
&rst
ixpk= 2528, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 264, 868, 869, 870, 872, 873, 874,
igr2= 201, 202,
&end
#
# 9 ALA HA 12 LYS QE 5.50 (# 2529:25 Unique 2.12, 5.89 A)
&rst
ixpk= 2529, nxpk= 25, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 179, 180,
&end
#
# 12 LYS HA 12 LYS QE 5.50 (# 2530:25 Unique 4.33, 5.27 A)
&rst
ixpk= 2530, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 179, 180,
&end
#
# 12 LYS QB 12 LYS QE 4.50 (# 2531:25 Unique 2.15, 4.35 A)
&rst
ixpk= 2531, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 170, 171,
igr2= 179, 180,
&end
#
# 12 LYS QD 12 LYS QE 2.50 (# 2532:25 Unique 2.35, 2.71 A)
&rst
ixpk= 2532, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 176, 177,
igr2= 179, 180,
&end
#
# 12 LYS HG+ 12 LYS QE 3.50 (# 2533:25 Unique 2.37, 3.05 A)
&rst
ixpk= 2533, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 173, 174,
igr2= 179, 180,
&end
#
# 12 LYS HG- 12 LYS QE 3.50 (# 2534:25 Unique 2.37, 3.05 A)
&rst
ixpk= 2534, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 173, 174,
igr2= 179, 180,
&end
#
# 38 LYS HD- 38 LYS HE+ 4.50 (# 2537:25 Unique 2.41, 2.76 A)
&rst
ixpk= 2537, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 581, 582,
igr2= 584, 585,
&end
#
# 0 AMB 25-2:2538 0 AMB 25-1:2538 2.50 (# 2538:25 Double Ambig)
&rst
ixpk= 2538, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 754, 755, 581, 582,
igr2= 757, 758, 584, 585,
&end
#
# 0 AMB 25-2:2539 0 AMB 25-1:2539 2.50 (# 2539:25 Double Ambig)
&rst
ixpk= 2539, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 266, 267, 268, 270, 271, 272, 772, 773, 774, 776,
777, 778, 788, 789, 790, 792, 793, 794,
igr2= 757, 758, 584, 585, 757, 758,
&end
#
# 53 LEU HA 53 LEU HB+ 5.50 (# 2543:25 Unique 2.49, 2.82 A)
&rst
ixpk= 2543, nxpk= 25, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 817, 818,
&end
#
# 0 AMB 25-2:2544 0 AMB 25-1:2544 4.50 (# 2544:25 Double Ambig)
&rst
ixpk= 2544, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 820, 959, 960,
igr2= 817, 818, 817, 818,
&end
#
# 0 AMB 25-2:2545 0 AMB 25-1:2545 4.50 (# 2545:25 Double Ambig)
&rst
ixpk= 2545, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 822, 823, 824, 826, 827, 828,1135,1136,1137,1139,
1140,1141,
igr2= 817, 818, 817, 818,
&end
#
# 53 LEU MDX 53 LEU HB+ 5.50 (# 2546:25 Unique 2.41, 3.35 A)
&rst
ixpk= 2546, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 822, 823, 824, 826, 827, 828,
igr2= 817, 818,
&end
#
# 37 VAL HA 40 LEU QB 3.50 (# 2548:25 Unique 2.47, 2.87 A)
&rst
ixpk= 2548, nxpk= 25, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 614, 615,
&end
#
# 0 AMB 25-2:2549 0 AMB 25-1:2549 3.50 (# 2549:25 Double Ambig)
&rst
ixpk= 2549, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 612, 815,
igr2= 614, 615, 817, 818,
&end
#
# 0 AMB 25-2:2550 40 LEU QB 5.50 (# 2550:25 Single Ambig)
&rst
ixpk= 2550, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 597, 598,1355, 559,
igr2= 614, 615,
&end
#
# 0 AMB 25-2:2552 0 AMB 25-1:2552 3.50 (# 2552:25 Double Ambig)
&rst
ixpk= 2552, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
1140,1141, 561, 562, 563, 565, 566, 567,1357,1358,
1359,1361,1362,1363,1357,1358,1359,1361,1362,1363,
868, 869, 870, 872, 873, 874, 633, 634,
igr2= 817, 818, 614, 615,
&end
#
# 40 LEU HG 40 LEU QB 3.50 (# 2553:25 Unique 2.58, 2.82 A)
&rst
ixpk= 2553, nxpk= 25, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 614, 615,
&end
#
# 53 LEU MDX 53 LEU HB- 4.50 (# 2554:25 Unique 2.41, 3.35 A)
&rst
ixpk= 2554, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 822, 823, 824, 826, 827, 828,
igr2= 817, 818,
&end
#
# 0 AMB 25-2:2556 53 LEU HB- 5.50 (# 2556:25 Single Ambig)
&rst
ixpk= 2556, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 820, 959, 960,
igr2= 817, 818,
&end
#
# 0 AMB 25-2:2557 103 LEU HB- 5.50 (# 2557:25 Single Ambig)
&rst
ixpk= 2557, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1552,1553,1587,1588,1589,1591,1592,1593,
igr2=1563,1564,
&end
#
# 58 ASP HB- 62 LEU HB- 5.50 (# 2559:25 Unique 3.39, 5.76 A)
&rst
ixpk= 2559, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 893, 894,
igr2= 940, 941,
&end
#
# 0 AMB 25-2:2560 0 AMB 25-1:2560 5.50 (# 2560:25 Double Ambig)
&rst
ixpk= 2560, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 190, 44,
igr2= 201, 202, 55, 56,
&end
#
# 103 LEU HA 94 LYS HE+ 7.00 (# 2562:25 Unique 6.25, 6.54 A)
&rst
ixpk= 2562, nxpk= 25, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1411,1412,
&end
#
# 94 LYS HA 94 LYS HE+ 5.50 (# 2563:25 Unique 4.28, 5.07 A)
&rst
ixpk= 2563, nxpk= 25, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1411,1412,
&end
#
# 99 GLU HB- 94 LYS HE+ 4.50 (# 2564:25 Unique 2.91, 5.29 A)
&rst
ixpk= 2564, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1496,1497,
igr2=1411,1412,
&end
#
# 0 AMB 25-2:2565 0 AMB 25-1:2565 3.50 (# 2565:25 Double Ambig)
&rst
ixpk= 2565, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
1573,1574,
igr2=1411,1412,1411,1412,
&end
#
# 50 VAL MGX 38 LYS HE- 4.50 (# 2566:25 Unique 2.12, 4.67 A)
&rst
ixpk= 2566, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 772, 773, 774, 776, 777, 778,
igr2= 584, 585,
&end
#
# 38 LYS HB+ 38 LYS HE+ 5.50 (# 2567:25 Unique 2.16, 3.14 A)
&rst
ixpk= 2567, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 575, 576,
igr2= 584, 585,
&end
#
# 38 LYS HG+ 38 LYS HE+ 4.50 (# 2568:25 Unique 2.44, 3.30 A)
&rst
ixpk= 2568, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 578, 579,
igr2= 584, 585,
&end
#
# 0 AMB 25-2:2569 0 AMB 25-1:2569 5.50 (# 2569:25 Double Ambig)
&rst
ixpk= 2569, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 266, 267, 268, 270, 271, 272, 575, 576,
igr2= 757, 758, 584, 585,
&end
#
# 40 LEU MDY 40 LEU QB 3.50 (# 2570:25 Unique 2.35, 3.28 A)
&rst
ixpk= 2570, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 619, 620, 621, 623, 624, 625,
igr2= 614, 615,
&end
#
# 41 LEU HA 41 LEU HB- 5.50 (# 2571:25 Unique 2.51, 2.80 A)
&rst
ixpk= 2571, nxpk= 25, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 633, 634,
&end
#
# 94 LYS HB+ 94 LYS HE- 5.50 (# 2573:25 Unique 2.19, 3.37 A)
&rst
ixpk= 2573, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1402,1403,
igr2=1411,1412,
&end
#
# 0 AMB 25-2:2574 94 LYS HE- 3.50 (# 2574:25 Single Ambig)
&rst
ixpk= 2574, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1402,1403,1408,1409,
igr2=1411,1412,
&end
#
# 0 AMB 25-2:2575 94 LYS HE- 3.50 (# 2575:25 Single Ambig)
&rst
ixpk= 2575, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1511,1512,1343,1344,1345,
igr2=1411,1412,
&end
#
# 0 AMB 25-2:2576 94 LYS HE- 4.50 (# 2576:25 Single Ambig)
&rst
ixpk= 2576, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1287,1288,1289,1294,1295,1296,
igr2=1411,1412,
&end
#
# 0 AMB 25-2:2577 94 LYS HE- 5.50 (# 2577:25 Single Ambig)
&rst
ixpk= 2577, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1496,1497,1563,1564,
igr2=1411,1412,
&end
#
# 0 AMB 25-2:2578 0 AMB 25-1:2578 3.50 (# 2578:25 Double Ambig)
&rst
ixpk= 2578, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1402,1403,1408,1409,
igr2=1411,1412,1411,1412,
&end
#
# 0 AMB 25-2:2579 0 AMB 25-1:2579 3.50 (# 2579:25 Double Ambig)
&rst
ixpk= 2579, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1511,1512,1343,1344,1345,
igr2=1411,1412,1411,1412,
&end
#
# 0 AMB 25-2:2580 0 AMB 25-1:2580 4.50 (# 2580:25 Double Ambig)
&rst
ixpk= 2580, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1287,1288,1289,1294,1295,1296,
igr2=1411,1412,1411,1412,
&end
#
# 0 AMB 25-2:2581 0 AMB 25-1:2581 5.50 (# 2581:25 Double Ambig)
&rst
ixpk= 2581, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1496,1497,1563,1564,
igr2=1411,1412,1411,1412,
&end
#
# 94 LYS HB+ 94 LYS HE+ 5.50 (# 2582:25 Unique 2.19, 3.37 A)
&rst
ixpk= 2582, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1402,1403,
igr2=1411,1412,
&end
#
# 104 LEU MDY 104 LEU HB+ 4.50 (# 2583:25 Unique 2.42, 3.29 A)
&rst
ixpk= 2583, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1587,1588,1589,1591,1592,1593,
igr2=1582,1583,
&end
#
# 0 AMB 25-2:2585 0 AMB 25-1:2585 3.50 (# 2585:25 Double Ambig)
&rst
ixpk= 2585, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1587,1588,1589,1591,1592,1593,1585,
igr2=1582,1583,1582,1583,
&end
#
# 104 LEU HA 104 LEU HB+ 5.50 (# 2586:25 Unique 2.55, 2.81 A)
&rst
ixpk= 2586, nxpk= 25, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1582,1583,
&end
#
# 0 AMB 25-2:2587 0 AMB 25-1:2587 5.50 (# 2587:25 Double Ambig)
&rst
ixpk= 2587, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1662,1663,1664,1535,1536,1537,1539,1540,1541,
igr2=1582,1583,1582,1583,
&end
#
# 8 ASP HA 11 LEU QB 3.50 (# 2588:25 Unique 2.24, 2.92 A)
&rst
ixpk= 2588, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 151, 152,
&end
#
# 11 LEU HA 11 LEU QB 3.50 (# 2589:25 Unique 2.32, 2.71 A)
&rst
ixpk= 2589, nxpk= 25, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 151, 152,
&end
#
# 0 AMB 25-2:2590 0 AMB 25-1:2590 5.50 (# 2590:25 Double Ambig)
&rst
ixpk= 2590, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 119, 120, 119, 120,
igr2= 100, 101, 151, 152,
&end
#
# 0 AMB 25-2:2591 0 AMB 25-1:2591 5.50 (# 2591:25 Double Ambig)
&rst
ixpk= 2591, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 119, 120, 926, 927,
igr2= 100, 101, 151, 152,
&end
#
# 0 AMB 25-2:2592 0 AMB 25-1:2592 2.50 (# 2592:25 Double Ambig)
&rst
ixpk= 2592, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 154, 49, 50,
igr2= 151, 152, 100, 101,
&end
#
# 11 LEU MDX 11 LEU QB 2.50 (# 2593:25 Unique 2.30, 3.31 A)
&rst
ixpk= 2593, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 156, 157, 158, 160, 161, 162,
igr2= 151, 152,
&end
#
# 104 LEU HA 104 LEU HB- 4.50 (# 2594:25 Unique 2.55, 2.81 A)
&rst
ixpk= 2594, nxpk= 25, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1582,1583,
&end
#
# 104 LEU MDY 104 LEU HB- 4.50 (# 2596:25 Unique 2.42, 3.29 A)
&rst
ixpk= 2596, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1587,1588,1589,1591,1592,1593,
igr2=1582,1583,
&end
#
# 0 AMB 25-2:2597 104 LEU HB- 3.50 (# 2597:25 Single Ambig)
&rst
ixpk= 2597, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1587,1588,1589,1591,1592,1593,1585,
igr2=1582,1583,
&end
#
# 101 LEU HA 104 LEU HB- 5.50 (# 2598:25 Unique 2.37, 3.34 A)
&rst
ixpk= 2598, nxpk= 25, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1582,1583,
&end
#
# 110 THR MG2 104 LEU HB- 5.50 (# 2599:25 Unique 2.22, 3.48 A)
&rst
ixpk= 2599, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1662,1663,1664,
igr2=1582,1583,
&end
#
# 41 LEU HA 41 LEU HB+ 5.50 (# 2600:25 Unique 2.51, 2.80 A)
&rst
ixpk= 2600, nxpk= 25, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 633, 634,
&end
#
# 41 LEU MDY 41 LEU HB+ 4.50 (# 2602:25 Unique 2.31, 3.33 A)
&rst
ixpk= 2602, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 633, 634,
&end
#
# 41 LEU HG 41 LEU HB- 5.50 (# 2604:25 Unique 2.30, 2.77 A)
&rst
ixpk= 2604, nxpk= 25, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 633, 634,
&end
#
# 41 LEU MDX 41 LEU HB- 5.50 (# 2605:25 Unique 2.31, 3.33 A)
&rst
ixpk= 2605, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 633, 634,
&end
#
# 41 LEU MDY 41 LEU HB- 4.50 (# 2606:25 Unique 2.31, 3.33 A)
&rst
ixpk= 2606, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 633, 634,
&end
#
# 0 AMB 25-2:2608 15 LYS HE- 3.50 (# 2608:25 Single Ambig)
&rst
ixpk= 2608, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 224, 225, 154,
igr2= 233, 234,
&end
#
# 15 LYS QD 15 LYS HE- 3.50 (# 2609:25 Unique 2.46, 2.77 A)
&rst
ixpk= 2609, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 230, 231,
igr2= 233, 234,
&end
#
# 11 LEU MDX 15 LYS HE- 3.50 (# 2610:25 Unique 2.12, 4.31 A)
&rst
ixpk= 2610, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 156, 157, 158, 160, 161, 162,
igr2= 233, 234,
&end
#
# 11 LEU MDY 15 LYS HE- 3.50 (# 2611:25 Unique 2.12, 4.31 A)
&rst
ixpk= 2611, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 156, 157, 158, 160, 161, 162,
igr2= 233, 234,
&end
#
# 15 LYS HG- 15 LYS HE- 4.50 (# 2612:25 Unique 2.38, 2.79 A)
&rst
ixpk= 2612, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 227, 228,
igr2= 233, 234,
&end
#
# 15 LYS HG+ 15 LYS HE- 4.50 (# 2613:25 Unique 2.38, 2.79 A)
&rst
ixpk= 2613, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 227, 228,
igr2= 233, 234,
&end
#
# 7 LEU HA 7 LEU QB 2.50 (# 2614:25 Unique 2.41, 2.77 A)
&rst
ixpk= 2614, nxpk= 25, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 100, 101,
&end
#
# 12 LYS HA 11 LEU QB 5.50 (# 2615:25 Unique 4.38, 5.16 A)
&rst
ixpk= 2615, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 151, 152,
&end
#
# 0 AMB 25-2:2616 0 AMB 25-1:2616 2.50 (# 2616:25 Double Ambig)
&rst
ixpk= 2616, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 156, 157, 158, 160, 161, 162,1215,1216,1217,
igr2= 233, 234,1213,
&end
#
# 0 AMB 25-2:2617 0 AMB 25-1:2617 5.50 (# 2617:25 Double Ambig)
&rst
ixpk= 2617, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 168, 222,
igr2= 233, 234, 233, 234,
&end
#
# 0 AMB 25-2:2619 0 AMB 25-1:2619 2.50 (# 2619:25 Double Ambig)
&rst
ixpk= 2619, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1291,1292, 230, 231,
igr2=1213, 233, 234,
&end
#
# 15 LYS HG+ 15 LYS HE+ 4.50 (# 2620:25 Unique 2.38, 2.79 A)
&rst
ixpk= 2620, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 227, 228,
igr2= 233, 234,
&end
#
# 85 ILE HA 85 ILE MD1 2.50 (# 2621:25 Unique 2.25, 3.04 A)
&rst
ixpk= 2621, nxpk= 25, iat=1283, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1294,1295,1296,
&end
#
# 0 AMB 25-2:2622 85 ILE MD1 4.50 (# 2622:25 Single Ambig)
&rst
ixpk= 2622, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1411,1412,1411,1412,1266,
igr2=1294,1295,1296,
&end
#
# 103 LEU HB+ 85 ILE MD1 5.50 (# 2623:25 Unique 4.54, 6.40 A)
&rst
ixpk= 2623, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1563,1564,
igr2=1294,1295,1296,
&end
#
# 83 LYS QB 85 ILE MD1 4.50 (# 2624:25 Unique 3.03, 4.91 A)
&rst
ixpk= 2624, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1246,1247,
igr2=1294,1295,1296,
&end
#
# 0 AMB 25-2:2625 85 ILE MD1 2.50 (# 2625:25 Single Ambig)
&rst
ixpk= 2625, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1291,1292,1285,1252,1253,
igr2=1294,1295,1296,
&end
#
# 0 AMB 25-2:2626 85 ILE MD1 5.50 (# 2626:25 Single Ambig)
&rst
ixpk= 2626, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1268,1269,1343,1344,1345,
igr2=1294,1295,1296,
&end
#
# 85 ILE HG1+ 85 ILE MD1 3.50 (# 2627:25 Unique 2.40, 2.66 A)
&rst
ixpk= 2627, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1291,1292,
igr2=1294,1295,1296,
&end
#
# 0 AMB 25-2:2628 85 ILE MD1 3.50 (# 2628:25 Single Ambig)
&rst
ixpk= 2628, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
1573,1574,
igr2=1294,1295,1296,
&end
#
# 80 ILE MG2 85 ILE MD1 3.50 (# 2629:25 Unique 4.04, 5.55 A)
&rst
ixpk= 2629, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1215,1216,1217,
igr2=1294,1295,1296,
&end
#
# 105 GLN HB+ 106 ASP HB- 5.50 (# 2631:25 Unique 4.29, 5.07 A)
&rst
ixpk= 2631, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1601,1602,
igr2=1618,1619,
&end
#
# 0 AMB 25-2:2634 0 AMB 25-1:2634 5.50 (# 2634:25 Double Ambig)
&rst
ixpk= 2634, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 338, 339, 340, 342, 343, 344, 633, 634,
igr2= 727, 728, 727, 728,
&end
#
# 23 VAL HB 48 TYR HB+ 5.50 (# 2635:25 Unique 2.27, 2.52 A)
&rst
ixpk= 2635, nxpk= 25, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 727, 728,
&end
#
# 23 VAL MGX 48 TYR HB+ 5.50 (# 2636:25 Unique 2.42, 4.04 A)
&rst
ixpk= 2636, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 338, 339, 340, 342, 343, 344,
igr2= 727, 728,
&end
#
# 0 AMB 25-2:2638 48 TYR HB- 5.50 (# 2638:25 Single Ambig)
&rst
ixpk= 2638, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 338, 339, 340, 342, 343, 344, 633, 634,
igr2= 727, 728,
&end
#
# 23 VAL HB 48 TYR HB- 4.50 (# 2640:25 Unique 2.27, 2.52 A)
&rst
ixpk= 2640, nxpk= 25, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 727, 728,
&end
#
# 0 AMB 25-2:2642 0 AMB 25-1:2642 5.50 (# 2642:25 Double Ambig)
&rst
ixpk= 2642, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1552,1553,1604,1605,
igr2=1618,1619,1618,1619,
&end
#
# 103 LEU HA 106 ASP HB+ 4.50 (# 2643:25 Unique 2.36, 3.08 A)
&rst
ixpk= 2643, nxpk= 25, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1618,1619,
&end
#
# 0 AMB 25-2:2645 0 AMB 25-1:2645 4.50 (# 2645:25 Double Ambig)
&rst
ixpk= 2645, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 49, 50,1630,1631,1632, 131, 132, 133,1563,1564,
igr2= 119, 120,1618,1619, 119, 120,
&end
#
# 105 GLN HB- 106 ASP HB- 5.50 (# 2646:25 Unique 4.29, 5.07 A)
&rst
ixpk= 2646, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1601,1602,
igr2=1618,1619,
&end
#
# 0 AMB 25-2:2648 0 AMB 25-1:2648 3.50 (# 2648:25 Double Ambig)
&rst
ixpk= 2648, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 66,1561,
igr2= 119, 120,1618,1619,
&end
#
# 0 AMB 25-2:2649 0 AMB 25-1:2649 4.50 (# 2649:25 Double Ambig)
&rst
ixpk= 2649, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 52, 53, 100, 101, 151, 152,
igr2= 119, 120, 119, 120, 119, 120,
&end
#
# 0 AMB 25-2:2650 0 AMB 25-1:2650 3.50 (# 2650:25 Double Ambig)
&rst
ixpk= 2650, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 117,1131,
igr2= 119, 120,1163,1164,
&end
#
# 8 ASP HA 8 ASP HB- 3.50 (# 2651:25 Unique 2.41, 2.74 A)
&rst
ixpk= 2651, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 119, 120,
&end
#
# 5 GLN HA 8 ASP HB- 3.50 (# 2652:25 Unique 2.27, 3.11 A)
&rst
ixpk= 2652, nxpk= 25, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 119, 120,
&end
#
# 0 AMB 25-2:2653 8 ASP HB- 4.50 (# 2653:25 Single Ambig)
&rst
ixpk= 2653, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 52, 53, 100, 101, 151, 152,
igr2= 119, 120,
&end
#
# 0 AMB 25-2:2654 8 ASP HB- 4.50 (# 2654:25 Single Ambig)
&rst
ixpk= 2654, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 49, 50, 131, 132, 133,
igr2= 119, 120,
&end
#
# 71 GLY HA+ 70 THR HB 5.50 (# 2655:25 Unique 5.09, 5.47 A)
&rst
ixpk= 2655, nxpk= 25, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1079,1080,
&end
#
# 70 THR MG2 70 THR HB 3.50 (# 2656:25 Unique 2.40, 2.66 A)
&rst
ixpk= 2656, nxpk= 25, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1069,1070,1071,
&end
#
# 74 THR MG2 74 THR HB 2.50 (# 2658:25 Unique 2.41, 2.66 A)
&rst
ixpk= 2658, nxpk= 25, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1121,1122,1123,
&end
#
# 75 VAL MGX 74 THR HB 5.50 (# 2659:25 Unique 4.44, 5.86 A)
&rst
ixpk= 2659, nxpk= 25, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1135,1136,1137,1139,1140,1141,
&end
#
# 66 LEU MDY 26 PHE HB+ 5.50 (# 2660:25 Unique 3.31, 4.90 A)
&rst
ixpk= 2660, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 384, 385,
&end
#
# 0 AMB 25-2:2661 0 AMB 25-1:2661 4.50 (# 2661:25 Double Ambig)
&rst
ixpk= 2661, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
1140,1141, 945, 946, 947, 949, 950, 951,
igr2= 384, 385, 384, 385, 384, 385,
&end
#
# 0 AMB 25-2:2664 0 AMB 25-1:2664 4.50 (# 2664:25 Double Ambig)
&rst
ixpk= 2664, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 822, 823, 824, 826, 827, 828,1766,1767,1768,1770,
1771,1772,
igr2= 384, 385,1706,1707,
&end
#
# 66 LEU MDY 26 PHE HB- 5.50 (# 2665:25 Unique 3.31, 4.90 A)
&rst
ixpk= 2665, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 384, 385,
&end
#
# 114 PRO HD+ 113 ASN HB- 5.50 (# 2668:25 Unique 2.20, 4.62 A)
&rst
ixpk= 2668, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1717,1718,
igr2=1706,1707,
&end
#
# 0 AMB 25-2:2670 0 AMB 25-1:2670 3.50 (# 2670:25 Double Ambig)
&rst
ixpk= 2670, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1638,1327,
igr2=1706,1707,1329,1330,
&end
#
# 114 PRO HD+ 113 ASN HB+ 5.50 (# 2671:25 Unique 2.20, 4.62 A)
&rst
ixpk= 2671, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1717,1718,
igr2=1706,1707,
&end
#
# 105 GLN HB+ 113 ASN HB+ 5.50 (# 2673:25 Unique 2.19, 5.12 A)
&rst
ixpk= 2673, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1601,1602,
igr2=1706,1707,
&end
#
# 92 VAL MGY 89 ASP HB+ 5.50 (# 2674:25 Unique 4.53, 7.07 A)
&rst
ixpk= 2674, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1373,1374,1375,1377,1378,1379,
igr2=1329,1330,
&end
#
# 28 LYS QG 54 ASP HB- 5.50 (# 2675:25 Unique 2.27, 4.21 A)
&rst
ixpk= 2675, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 418, 419,
igr2= 836, 837,
&end
#
# 89 ASP HA 89 ASP HB- 3.50 (# 2678:25 Unique 2.44, 2.75 A)
&rst
ixpk= 2678, nxpk= 25, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1329,1330,
&end
#
# 0 AMB 25-2:2679 89 ASP HB- 5.50 (# 2679:25 Single Ambig)
&rst
ixpk= 2679, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1371,1387,1388,
igr2=1329,1330,
&end
#
# 102 PRO HG+ 101 LEU QB 5.50 (# 2680:25 Unique 4.06, 5.15 A)
&rst
ixpk= 2680, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1549,1550,
igr2=1530,1531,
&end
#
# 102 PRO HD+ 101 LEU QB 3.50 (# 2681:25 Unique 2.07, 3.15 A)
&rst
ixpk= 2681, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1546,1547,
igr2=1530,1531,
&end
#
# 0 AMB 25-2:2682 101 LEU QB 4.50 (# 2682:25 Single Ambig)
&rst
ixpk= 2682, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1549,1550,1582,1583,
igr2=1530,1531,
&end
#
# 101 LEU MDX 101 LEU QB 2.50 (# 2683:25 Unique 2.39, 3.41 A)
&rst
ixpk= 2683, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1535,1536,1537,1539,1540,1541,
igr2=1530,1531,
&end
#
# 101 LEU HA 101 LEU QB 3.50 (# 2684:25 Unique 2.38, 2.78 A)
&rst
ixpk= 2684, nxpk= 25, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1530,1531,
&end
#
# 102 PRO HD- 101 LEU QB 3.50 (# 2685:25 Unique 2.07, 3.15 A)
&rst
ixpk= 2685, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1546,1547,
igr2=1530,1531,
&end
#
# 0 AMB 25-2:2686 101 LEU QB 5.50 (# 2686:25 Single Ambig)
&rst
ixpk= 2686, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1604,1605, 683,1552,1553,
igr2=1530,1531,
&end
#
# 0 AMB 25-2:2687 101 LEU QB 4.50 (# 2687:25 Single Ambig)
&rst
ixpk= 2687, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1587,1588,1589,1591,1592,1593,1516,1517,1518,1520,
1521,1522,
igr2=1530,1531,
&end
#
# 61 GLN HB+ 58 ASP HB- 4.50 (# 2688:25 Unique 2.35, 5.26 A)
&rst
ixpk= 2688, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 923, 924,
igr2= 893, 894,
&end
#
# 29 THR MG2 29 THR HB 2.50 (# 2692:25 Unique 2.42, 2.66 A)
&rst
ixpk= 2692, nxpk= 25, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 439, 440, 441,
&end
#
# 29 THR HA 29 THR HB 3.50 (# 2693:25 Unique 2.61, 2.64 A)
&rst
ixpk= 2693, nxpk= 25, iat= 435, 437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 TYR HA 33 TYR HB+ 5.50 (# 2694:25 Unique 2.48, 2.77 A)
&rst
ixpk= 2694, nxpk= 25, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 489, 490,
&end
#
# 109 ALA MB 110 THR HB 5.50 (# 2699:25 Unique 4.13, 6.07 A)
&rst
ixpk= 2699, nxpk= 25, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1650,1651,1652,
&end
#
# 110 THR MG2 110 THR HB 2.50 (# 2700:25 Unique 2.35, 2.65 A)
&rst
ixpk= 2700, nxpk= 25, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1662,1663,1664,
&end
#
# 35 ASN HA 35 ASN HB+ 3.50 (# 2701:25 Unique 2.25, 2.71 A)
&rst
ixpk= 2701, nxpk= 25, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 521, 522,
&end
#
# 32 GLY QA 35 ASN HB+ 3.50 (# 2702:25 Unique 2.32, 3.93 A)
&rst
ixpk= 2702, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 480, 481,
igr2= 521, 522,
&end
#
# 35 ASN HA 35 ASN HB- 3.50 (# 2703:25 Unique 2.25, 2.71 A)
&rst
ixpk= 2703, nxpk= 25, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 521, 522,
&end
#
# 32 GLY QA 35 ASN HB- 3.50 (# 2704:25 Unique 2.32, 3.93 A)
&rst
ixpk= 2704, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 480, 481,
igr2= 521, 522,
&end
#
# 28 LYS QG 28 LYS HB- 4.50 (# 2705:25 Unique 2.37, 2.75 A)
&rst
ixpk= 2705, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 418, 419,
igr2= 415, 416,
&end
#
# 39 GLN HA 42 THR HB 3.50 (# 2706:25 Unique 2.25, 2.36 A)
&rst
ixpk= 2706, nxpk= 25, iat= 595, 652, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:2707 42 THR HB 5.50 (# 2707:25 Single Ambig)
&rst
ixpk= 2707, nxpk= 25, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 669, 670, 600, 601,
&end
#
# 0 AMB 25-2:2708 42 THR HB 5.50 (# 2708:25 Single Ambig)
&rst
ixpk= 2708, nxpk= 25, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 597, 598, 575, 576,
&end
#
# 42 THR MG2 42 THR HB 2.50 (# 2709:25 Unique 2.42, 2.66 A)
&rst
ixpk= 2709, nxpk= 25, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 654, 655, 656,
&end
#
# 6 GLU HB+ 6 GLU HG+ 2.50 (# 2710:25 Unique 2.25, 2.75 A)
&rst
ixpk= 2710, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 85, 86,
igr2= 88, 89,
&end
#
# 6 GLU HA 6 GLU HG+ 2.50 (# 2711:25 Unique 2.37, 2.81 A)
&rst
ixpk= 2711, nxpk= 25, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 88, 89,
&end
#
# 9 ALA MB 6 GLU HG+ 4.50 (# 2712:25 Unique 3.62, 5.70 A)
&rst
ixpk= 2712, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 131, 132, 133,
igr2= 88, 89,
&end
#
# 0 AMB 25-2:2713 0 AMB 25-1:2713 2.50 (# 2713:25 Double Ambig)
&rst
ixpk= 2713, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 85, 86, 68, 69,
igr2= 88, 89, 88, 89,
&end
#
# 85 ILE HA 85 ILE HB 4.50 (# 2714:25 Unique 3.00, 3.04 A)
&rst
ixpk= 2714, nxpk= 25, iat=1283,1285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 VAL HB 85 ILE HB 5.50 (# 2715:25 Unique 2.83, 3.04 A)
&rst
ixpk= 2715, nxpk= 25, iat=1177,1285, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2716 85 ILE HB 2.50 (# 2716:25 Single Ambig)
&rst
ixpk= 2716, nxpk= 25, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1287,1288,1289,1294,1295,1296,
&end
#
# 85 ILE HG1+ 85 ILE HB 3.50 (# 2717:25 Unique 2.38, 2.44 A)
&rst
ixpk= 2717, nxpk= 25, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1291,1292,
&end
#
# 90 THR MG2 90 THR HB 3.50 (# 2719:25 Unique 2.40, 2.66 A)
&rst
ixpk= 2719, nxpk= 25, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1343,1344,1345,
&end
#
# 86 GLY HA- 90 THR HB 5.50 (# 2720:25 Unique 2.55, 3.56 A)
&rst
ixpk= 2720, nxpk= 25, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1302,1303,
&end
#
# 0 AMB 25-2:2721 90 THR HB 5.50 (# 2721:25 Single Ambig)
&rst
ixpk= 2721, nxpk= 25, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
1362,1363,
&end
#
# 85 ILE MG2 90 THR HB 5.50 (# 2722:25 Unique 3.19, 4.46 A)
&rst
ixpk= 2722, nxpk= 25, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1287,1288,1289,
&end
#
# 97 ARG QD 93 GLU HG+ 4.50 (# 2724:25 Unique 2.13, 4.26 A)
&rst
ixpk= 2724, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1464,1465,
igr2=1390,1391,
&end
#
# 0 AMB 25-2:2725 93 GLU HG- 5.50 (# 2725:25 Single Ambig)
&rst
ixpk= 2725, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1402,1403,1408,1409,
igr2=1390,1391,
&end
#
# 93 GLU HA 93 GLU HG- 3.50 (# 2727:25 Unique 2.36, 2.96 A)
&rst
ixpk= 2727, nxpk= 25, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1390,1391,
&end
#
# 0 AMB 25-2:2729 0 AMB 25-1:2729 5.50 (# 2729:25 Double Ambig)
&rst
ixpk= 2729, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 170, 171, 192, 193,
igr2= 249, 250, 249, 250,
&end
#
# 0 AMB 25-2:2730 0 AMB 25-1:2730 4.50 (# 2730:25 Double Ambig)
&rst
ixpk= 2730, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 173, 174, 224, 225,
igr2= 249, 250, 249, 250,
&end
#
# 12 LYS HG- 16 GLU HG- 5.50 (# 2731:25 Unique 3.00, 6.18 A)
&rst
ixpk= 2731, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 173, 174,
igr2= 249, 250,
&end
#
# 16 GLU HA 16 GLU HG- 3.50 (# 2732:25 Unique 2.37, 3.12 A)
&rst
ixpk= 2732, nxpk= 25, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 249, 250,
&end
#
# 97 ARG HG- 93 GLU HG+ 5.50 (# 2734:25 Unique 2.72, 4.34 A)
&rst
ixpk= 2734, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1461,1462,
igr2=1390,1391,
&end
#
# 0 AMB 25-2:2735 16 GLU HG- 5.50 (# 2735:25 Single Ambig)
&rst
ixpk= 2735, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 173, 174, 224, 225,
igr2= 249, 250,
&end
#
# 0 AMB 25-2:2736 0 AMB 25-1:2736 4.50 (# 2736:25 Double Ambig)
&rst
ixpk= 2736, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1461,1462,1405,1406,
igr2=1390,1391,1390,1391,
&end
#
# 17 LEU HG 16 GLU HG- 5.50 (# 2737:25 Unique 4.19, 5.50 A)
&rst
ixpk= 2737, nxpk= 25, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 249, 250,
&end
#
# 96 GLN HG+ 93 GLU HG- 5.50 (# 2738:25 Unique 3.94, 6.42 A)
&rst
ixpk= 2738, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1444,1445,
igr2=1390,1391,
&end
#
# 97 ARG QD 93 GLU HG- 5.50 (# 2739:25 Unique 2.13, 4.26 A)
&rst
ixpk= 2739, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1464,1465,
igr2=1390,1391,
&end
#
# 0 AMB 25-2:2740 0 AMB 25-1:2740 4.50 (# 2740:25 Double Ambig)
&rst
ixpk= 2740, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 190, 290, 291,
igr2= 249, 250, 249, 250,
&end
#
# 17 LEU MDX 16 GLU HG+ 5.50 (# 2741:25 Unique 4.73, 7.53 A)
&rst
ixpk= 2741, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 266, 267, 268, 270, 271, 272,
igr2= 249, 250,
&end
#
# 16 GLU HA 16 GLU HG+ 3.50 (# 2742:25 Unique 2.37, 3.12 A)
&rst
ixpk= 2742, nxpk= 25, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 249, 250,
&end
#
# 99 GLU HA 99 GLU QG 3.50 (# 2744:25 Unique 2.49, 2.82 A)
&rst
ixpk= 2744, nxpk= 25, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1499,1500,
&end
#
# 99 GLU HB- 99 GLU QG 2.50 (# 2745:25 Unique 2.34, 2.76 A)
&rst
ixpk= 2745, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1496,1497,
igr2=1499,1500,
&end
#
# 0 AMB 25-2:2746 99 GLU QG 4.50 (# 2746:25 Single Ambig)
&rst
ixpk= 2746, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1458,1459,1405,1406,
igr2=1499,1500,
&end
#
# 94 LYS QG 91 VAL HA 5.50 (# 2747:25 Unique 3.78, 4.53 A)
&rst
ixpk= 2747, nxpk= 25, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1405,1406,
&end
#
# 0 AMB 25-2:2748 91 VAL HA 5.50 (# 2748:25 Single Ambig)
&rst
ixpk= 2748, nxpk= 25, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1373,1374,1375,1377,1378,1379,1373,1374,1375,1377,
1378,1379,1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 25-2:2749 91 VAL HA 5.50 (# 2749:25 Single Ambig)
&rst
ixpk= 2749, nxpk= 25, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1402,1403,1408,1409,
&end
#
# 18 ALA HA 24 VAL HB 4.50 (# 2750:25 Unique 2.52, 2.60 A)
&rst
ixpk= 2750, nxpk= 25, iat= 278, 352, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 PHE HB+ 24 VAL HB 4.50 (# 2751:25 Unique 2.25, 2.98 A)
&rst
ixpk= 2751, nxpk= 25, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1193,1194,
&end
#
# 79 PHE HB- 24 VAL HB 5.50 (# 2752:25 Unique 2.25, 2.98 A)
&rst
ixpk= 2752, nxpk= 25, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1193,1194,
&end
#
# 24 VAL MGY 24 VAL HB 2.50 (# 2753:25 Unique 2.43, 2.67 A)
&rst
ixpk= 2753, nxpk= 25, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 24 VAL MGX 24 VAL HB 3.50 (# 2754:25 Unique 2.43, 2.67 A)
&rst
ixpk= 2754, nxpk= 25, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 24 VAL MGX 49 LYS HB+ 5.50 (# 2755:25 Unique 2.24, 4.42 A)
&rst
ixpk= 2755, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 354, 355, 356, 358, 359, 360,
igr2= 748, 749,
&end
#
# 91 VAL HB 91 VAL HA 3.50 (# 2756:25 Unique 2.44, 2.47 A)
&rst
ixpk= 2756, nxpk= 25, iat=1355,1353, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:2757 91 VAL HA 4.50 (# 2757:25 Single Ambig)
&rst
ixpk= 2757, nxpk= 25, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1287,1288,1289, 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 25-2:2758 91 VAL HA 5.50 (# 2758:25 Single Ambig)
&rst
ixpk= 2758, nxpk= 25, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1511,1512,1343,1344,1345,
&end
#
# 0 AMB 25-2:2759 91 VAL HA 2.50 (# 2759:25 Single Ambig)
&rst
ixpk= 2759, nxpk= 25, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
1362,1363,1516,1517,1518,1520,1521,1522,
&end
#
# 49 LYS QD 49 LYS HB+ 3.50 (# 2761:25 Unique 2.37, 2.85 A)
&rst
ixpk= 2761, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 754, 755,
igr2= 748, 749,
&end
#
# 0 AMB 25-2:2762 0 AMB 25-1:2762 3.50 (# 2762:25 Double Ambig)
&rst
ixpk= 2762, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 751, 752, 312, 313, 314,
igr2= 748, 749, 748, 749,
&end
#
# 49 LYS HG+ 49 LYS HB+ 3.50 (# 2763:25 Unique 2.22, 2.74 A)
&rst
ixpk= 2763, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 751, 752,
igr2= 748, 749,
&end
#
# 49 LYS QD 49 LYS HB- 3.50 (# 2765:25 Unique 2.37, 2.85 A)
&rst
ixpk= 2765, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 754, 755,
igr2= 748, 749,
&end
#
# 0 AMB 25-2:2766 49 LYS HB- 3.50 (# 2766:25 Single Ambig)
&rst
ixpk= 2766, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 751, 752, 312, 313, 314,
igr2= 748, 749,
&end
#
# 0 AMB 25-2:2767 49 LYS HB- 4.50 (# 2767:25 Single Ambig)
&rst
ixpk= 2767, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 751, 752, 354, 355, 356, 358, 359, 360,
igr2= 748, 749,
&end
#
# 0 AMB 25-2:2768 0 AMB 25-1:2768 5.50 (# 2768:25 Double Ambig)
&rst
ixpk= 2768, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 508,1146,1147,
igr2=1152,1153,1152,1153,
&end
#
# 0 AMB 25-2:2770 0 AMB 25-1:2770 4.50 (# 2770:25 Double Ambig)
&rst
ixpk= 2770, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 370, 371, 372, 374, 375, 376, 561, 562, 563, 565,
566, 567,
igr2=1152,1153,1152,1153,
&end
#
# 37 VAL MGX 76 PRO HB- 3.50 (# 2772:25 Unique 2.68, 4.58 A)
&rst
ixpk= 2772, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 561, 562, 563, 565, 566, 567,
igr2=1152,1153,
&end
#
# 0 AMB 25-2:2773 76 PRO HB- 5.50 (# 2773:25 Single Ambig)
&rst
ixpk= 2773, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 508,1146,1147,
igr2=1152,1153,
&end
#
# 45 GLY HA+ 42 THR HA 5.50 (# 2774:25 Unique 3.27, 4.48 A)
&rst
ixpk= 2774, nxpk= 25, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 697, 698,
&end
#
# 39 GLN HA 42 THR HA 5.50 (# 2775:25 Unique 5.04, 5.14 A)
&rst
ixpk= 2775, nxpk= 25, iat= 595, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 THR MG2 42 THR HA 2.50 (# 2776:25 Unique 2.54, 3.18 A)
&rst
ixpk= 2776, nxpk= 25, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 654, 655, 656,
&end
#
# 95 HIS HB+ 92 VAL HA 4.50 (# 2777:25 Unique 2.53, 3.10 A)
&rst
ixpk= 2777, nxpk= 25, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1424,1425,
&end
#
# 92 VAL HB 92 VAL HA 4.50 (# 2778:25 Unique 2.42, 2.98 A)
&rst
ixpk= 2778, nxpk= 25, iat=1371,1369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 VAL MGY 92 VAL HA 2.50 (# 2779:25 Unique 2.47, 3.21 A)
&rst
ixpk= 2779, nxpk= 25, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1373,1374,1375,1377,1378,1379,
&end
#
# 0 AMB 25-2:2780 92 VAL HA 4.50 (# 2780:25 Single Ambig)
&rst
ixpk= 2780, nxpk= 25, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
1362,1363,1516,1517,1518,1520,1521,1522,1516,1517,
1518,1520,1521,1522,
&end
#
# 40 LEU MDX 92 VAL HA 5.50 (# 2781:25 Unique 2.26, 3.40 A)
&rst
ixpk= 2781, nxpk= 25, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 40 LEU HG 92 VAL HA 4.50 (# 2782:25 Unique 4.52, 4.54 A)
&rst
ixpk= 2782, nxpk= 25, iat= 617,1369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 LEU HG 37 VAL HA 5.50 (# 2783:25 Unique 4.93, 5.06 A)
&rst
ixpk= 2783, nxpk= 25, iat= 617, 557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2784 37 VAL HA 3.50 (# 2784:25 Single Ambig)
&rst
ixpk= 2784, nxpk= 25, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 559,1355,
&end
#
# 0 AMB 25-2:2785 37 VAL HA 3.50 (# 2785:25 Single Ambig)
&rst
ixpk= 2785, nxpk= 25, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 614, 615, 636,
&end
#
# 40 LEU MDY 37 VAL HA 5.50 (# 2786:25 Unique 3.43, 4.97 A)
&rst
ixpk= 2786, nxpk= 25, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 37 VAL MGY 37 VAL HA 3.50 (# 2787:25 Unique 2.32, 3.13 A)
&rst
ixpk= 2787, nxpk= 25, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 561, 562, 563, 565, 566, 567,
&end
#
# 0 AMB 25-2:2788 37 VAL HA 3.50 (# 2788:25 Single Ambig)
&rst
ixpk= 2788, nxpk= 25, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
1362,1363,1357,1358,1359,1361,1362,1363,
&end
#
# 40 LEU MDX 37 VAL HA 5.50 (# 2789:25 Unique 3.43, 4.97 A)
&rst
ixpk= 2789, nxpk= 25, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 61 GLN HB- 61 GLN HG- 3.50 (# 2790:25 Unique 2.38, 2.77 A)
&rst
ixpk= 2790, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 923, 924,
igr2= 926, 927,
&end
#
# 10 ALA MB 61 GLN HG- 4.50 (# 2791:25 Unique 2.55, 5.78 A)
&rst
ixpk= 2791, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 141, 142, 143,
igr2= 926, 927,
&end
#
# 48 TYR HB+ 23 VAL HB 4.50 (# 2792:25 Unique 2.27, 2.52 A)
&rst
ixpk= 2792, nxpk= 25, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 727, 728,
&end
#
# 23 VAL MGX 23 VAL HB 3.50 (# 2793:25 Unique 2.36, 2.64 A)
&rst
ixpk= 2793, nxpk= 25, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 102 PRO HB- 102 PRO HA 3.50 (# 2795:25 Unique 2.26, 2.68 A)
&rst
ixpk= 2795, nxpk= 25, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1552,1553,
&end
#
# 93 GLU HB+ 90 THR HA 4.50 (# 2796:25 Unique 2.76, 3.38 A)
&rst
ixpk= 2796, nxpk= 25, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1387,1388,
&end
#
# 93 GLU HB- 90 THR HA 4.50 (# 2797:25 Unique 2.76, 3.38 A)
&rst
ixpk= 2797, nxpk= 25, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1387,1388,
&end
#
# 90 THR MG2 90 THR HA 3.50 (# 2798:25 Unique 2.35, 2.98 A)
&rst
ixpk= 2798, nxpk= 25, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1343,1344,1345,
&end
#
# 93 GLU HA 96 GLN HG- 4.50 (# 2801:25 Unique 2.19, 3.95 A)
&rst
ixpk= 2801, nxpk= 25, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1444,1445,
&end
#
# 92 VAL MGX 96 GLN HG- 4.50 (# 2803:25 Unique 2.96, 5.78 A)
&rst
ixpk= 2803, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1373,1374,1375,1377,1378,1379,
igr2=1444,1445,
&end
#
# 58 ASP HB- 61 GLN HG- 5.50 (# 2804:25 Unique 2.36, 5.96 A)
&rst
ixpk= 2804, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 893, 894,
igr2= 926, 927,
&end
#
# 106 ASP HB+ 105 GLN HG- 5.50 (# 2805:25 Unique 6.51, 6.98 A)
&rst
ixpk= 2805, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1618,1619,
igr2=1604,1605,
&end
#
# 0 AMB 25-2:2806 105 GLN HG- 5.50 (# 2806:25 Single Ambig)
&rst
ixpk= 2806, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1684,1685,1684,1685,1533,
igr2=1604,1605,
&end
#
# 58 ASP HB- 61 GLN HG+ 5.50 (# 2808:25 Unique 2.36, 5.96 A)
&rst
ixpk= 2808, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 893, 894,
igr2= 926, 927,
&end
#
# 0 AMB 25-2:2809 0 AMB 25-1:2809 4.50 (# 2809:25 Double Ambig)
&rst
ixpk= 2809, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1687,1688, 141, 142, 143,
igr2=1604,1605, 926, 927,
&end
#
# 0 AMB 25-2:2810 0 AMB 25-1:2810 3.50 (# 2810:25 Double Ambig)
&rst
ixpk= 2810, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 822, 823, 824, 826, 827, 828,1766,1767,1768,1770,
1771,1772,1766,1767,1768,1770,1771,1772,
igr2= 962, 963,1604,1605,1604,1605,
&end
#
# 80 ILE HG1+ 23 VAL HB 5.50 (# 2812:25 Unique 4.39, 5.19 A)
&rst
ixpk= 2812, nxpk= 25, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1219,1220,
&end
#
# 23 VAL MGX 23 VAL HB 4.50 (# 2813:25 Unique 2.36, 2.64 A)
&rst
ixpk= 2813, nxpk= 25, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 25-2:2814 23 VAL HB 5.50 (# 2814:25 Single Ambig)
&rst
ixpk= 2814, nxpk= 25, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 706, 707, 708, 312, 313, 314,
&end
#
# 23 VAL MGY 23 VAL HB 3.50 (# 2815:25 Unique 2.36, 2.64 A)
&rst
ixpk= 2815, nxpk= 25, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 50 VAL MGX 25 VAL HB 4.50 (# 2818:25 Unique 2.39, 3.84 A)
&rst
ixpk= 2818, nxpk= 25, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 772, 773, 774, 776, 777, 778,
&end
#
# 50 VAL MGY 25 VAL HB 4.50 (# 2819:25 Unique 2.39, 3.84 A)
&rst
ixpk= 2819, nxpk= 25, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 772, 773, 774, 776, 777, 778,
&end
#
# 25 VAL MGX 25 VAL HB 3.50 (# 2820:25 Unique 2.40, 2.66 A)
&rst
ixpk= 2820, nxpk= 25, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 370, 371, 372, 374, 375, 376,
&end
#
# 25 VAL MGY 25 VAL HB 3.50 (# 2821:25 Unique 2.40, 2.66 A)
&rst
ixpk= 2821, nxpk= 25, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 370, 371, 372, 374, 375, 376,
&end
#
# 102 PRO HD- 102 PRO HA 5.50 (# 2823:25 Unique 3.33, 3.66 A)
&rst
ixpk= 2823, nxpk= 25, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1546,1547,
&end
#
# 0 AMB 25-2:2824 0 AMB 25-1:2824 3.50 (# 2824:25 Double Ambig)
&rst
ixpk= 2824, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1549,1550, 322, 323,
igr2=1555, 328,
&end
#
# 81 GLY HA- 22 PRO HA 5.50 (# 2825:25 Unique 3.22, 4.30 A)
&rst
ixpk= 2825, nxpk= 25, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1230,1231,
&end
#
# 0 AMB 25-2:2826 0 AMB 25-1:2826 2.50 (# 2826:25 Double Ambig)
&rst
ixpk= 2826, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=1552,1553, 325, 326,
igr2=1555, 328,
&end
#
# 0 AMB 25-2:2827 0 AMB 25-1:2827 2.50 (# 2827:25 Double Ambig)
&rst
ixpk= 2827, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1601,1602, 325, 326,1549,1550,
igr2=1555, 328,
&end
#
# 0 AMB 25-2:2828 22 PRO HA 5.50 (# 2828:25 Single Ambig)
&rst
ixpk= 2828, nxpk= 25, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 338, 339, 340, 342, 343, 344, 354, 355, 356, 358,
359, 360,
&end
#
# 96 GLN HA 96 GLN HG- 3.50 (# 2829:25 Unique 2.42, 3.10 A)
&rst
ixpk= 2829, nxpk= 25, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1444,1445,
&end
#
# 96 GLN HB+ 96 GLN HG- 3.50 (# 2830:25 Unique 2.31, 2.70 A)
&rst
ixpk= 2830, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1441,1442,
igr2=1444,1445,
&end
#
# 96 GLN HB- 96 GLN HG- 3.50 (# 2831:25 Unique 2.31, 2.70 A)
&rst
ixpk= 2831, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1441,1442,
igr2=1444,1445,
&end
#
# 42 THR HB 0 AMB 25-1:2833 4.50 (# 2833:25 Single Ambig)
&rst
ixpk= 2833, nxpk= 25, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 669, 670, 600, 601,
&end
#
# 0 AMB 25-2:2834 43 GLN HG- 2.50 (# 2834:25 Single Ambig)
&rst
ixpk= 2834, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 612, 664,
igr2= 669, 670,
&end
#
# 0 AMB 25-2:2836 0 AMB 25-1:2836 2.50 (# 2836:25 Double Ambig)
&rst
ixpk= 2836, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 597, 598, 575, 576,
igr2= 600, 601, 600, 601,
&end
#
# 44 VAL MGY 43 GLN HG- 5.50 (# 2837:25 Unique 5.29, 7.57 A)
&rst
ixpk= 2837, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 685, 686, 687, 689, 690, 691,
igr2= 669, 670,
&end
#
# 0 AMB 25-2:2838 105 GLN HG- 4.50 (# 2838:25 Single Ambig)
&rst
ixpk= 2838, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1682,1555,1660,1742,
igr2=1604,1605,
&end
#
# 0 AMB 25-2:2839 0 AMB 25-1:2839 3.50 (# 2839:25 Double Ambig)
&rst
ixpk= 2839, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1599, 66,
igr2=1604,1605, 71, 72,
&end
#
# 96 GLN HA 96 GLN HG+ 3.50 (# 2840:25 Unique 2.42, 3.10 A)
&rst
ixpk= 2840, nxpk= 25, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1444,1445,
&end
#
# 0 AMB 25-2:2842 0 AMB 25-1:2842 2.50 (# 2842:25 Double Ambig)
&rst
ixpk= 2842, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1601,1602,1441,1442,1458,1459,
igr2=1604,1605,1444,1445,1444,1445,
&end
#
# 0 AMB 25-2:2843 0 AMB 25-1:2843 2.50 (# 2843:25 Double Ambig)
&rst
ixpk= 2843, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 68, 69, 68, 69,1601,1602,
igr2= 71, 72,1604,1605,
&end
#
# 101 LEU MDY 105 GLN HG- 5.50 (# 2844:25 Unique 2.26, 4.96 A)
&rst
ixpk= 2844, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1535,1536,1537,1539,1540,1541,
igr2=1604,1605,
&end
#
# 92 VAL MGX 96 GLN HG+ 4.50 (# 2845:25 Unique 2.96, 5.78 A)
&rst
ixpk= 2845, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1373,1374,1375,1377,1378,1379,
igr2=1444,1445,
&end
#
# 106 ASP HB+ 105 GLN HG- 5.50 (# 2846:25 Unique 6.51, 6.98 A)
&rst
ixpk= 2846, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1618,1619,
igr2=1604,1605,
&end
#
# 113 ASN HB+ 105 GLN HG+ 5.50 (# 2847:25 Unique 2.67, 5.30 A)
&rst
ixpk= 2847, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1706,1707,
igr2=1604,1605,
&end
#
# 0 AMB 25-2:2848 0 AMB 25-1:2848 4.50 (# 2848:25 Double Ambig)
&rst
ixpk= 2848, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1684,1685,1684,1685,1533,
igr2=1604,1605,1604,1605,1604,1605,
&end
#
# 0 AMB 25-2:2849 0 AMB 25-1:2849 4.50 (# 2849:25 Double Ambig)
&rst
ixpk= 2849, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1535,1536,1537,1539,1540,1541,1662,1663,1664, 822,
823, 824, 826, 827, 828,
igr2=1604,1605,1604,1605, 962, 963,
&end
#
# 0 AMB 25-2:2850 0 AMB 25-1:2850 3.50 (# 2850:25 Double Ambig)
&rst
ixpk= 2850, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1742,1555, 652,1660, 974,
igr2=1747,1748,1604,1605, 669, 670,1604,1605, 962, 963,
1604,1605,
&end
#
# 63 GLN HA 63 GLN QG 3.50 (# 2851:25 Unique 2.30, 3.10 A)
&rst
ixpk= 2851, nxpk= 25, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 962, 963,
&end
#
# 0 AMB 25-2:2852 0 AMB 25-1:2852 4.50 (# 2852:25 Double Ambig)
&rst
ixpk= 2852, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1766,1767,1768,1770,1771,1772,1135,1136,1137,1139,
1140,1141,
igr2=1604,1605, 962, 963,
&end
#
# 21 ALA MB 22 PRO HA 5.50 (# 2858:25 Unique 4.97, 5.46 A)
&rst
ixpk= 2858, nxpk= 25, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 312, 313, 314,
&end
#
# 0 AMB 25-2:2859 22 PRO HA 4.50 (# 2859:25 Single Ambig)
&rst
ixpk= 2859, nxpk= 25, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 319, 320, 319, 320,
&end
#
# 107 ALA MB 22 PRO HA 4.50 (# 2860:25 Unique 3.55, 4.97 A)
&rst
ixpk= 2860, nxpk= 25, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1630,1631,1632,
&end
#
# 25 VAL MGX 27 SER HB+ 5.50 (# 2863:25 Unique 2.15, 5.83 A)
&rst
ixpk= 2863, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 370, 371, 372, 374, 375, 376,
igr2= 404, 405,
&end
#
# 50 VAL MGY 27 SER HB+ 4.50 (# 2865:25 Unique 2.48, 5.49 A)
&rst
ixpk= 2865, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 772, 773, 774, 776, 777, 778,
igr2= 404, 405,
&end
#
# 50 VAL MGY 27 SER HB- 4.50 (# 2867:25 Unique 2.48, 5.49 A)
&rst
ixpk= 2867, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 772, 773, 774, 776, 777, 778,
igr2= 404, 405,
&end
#
# 25 VAL MGX 27 SER HB- 5.50 (# 2868:25 Unique 2.15, 5.83 A)
&rst
ixpk= 2868, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 370, 371, 372, 374, 375, 376,
igr2= 404, 405,
&end
#
# 0 AMB 25-2:2869 0 AMB 25-1:2869 5.50 (# 2869:25 Double Ambig)
&rst
ixpk= 2869, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 614, 615, 538, 539,
igr2= 669, 670, 600, 601, 600, 601,
&end
#
# 42 THR MG2 43 GLN HG- 5.50 (# 2870:25 Unique 3.85, 5.52 A)
&rst
ixpk= 2870, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 654, 655, 656,
igr2= 669, 670,
&end
#
# 0 AMB 25-2:2871 39 GLN HG- 5.50 (# 2871:25 Single Ambig)
&rst
ixpk= 2871, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 521, 522, 584, 585,
igr2= 600, 601,
&end
#
# 0 AMB 25-2:2872 0 AMB 25-1:2872 2.50 (# 2872:25 Double Ambig)
&rst
ixpk= 2872, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=1744,1745, 597, 598,
igr2=1747,1748, 600, 601,
&end
#
# 50 VAL MGX 50 VAL HB 2.50 (# 2874:25 Unique 2.35, 2.66 A)
&rst
ixpk= 2874, nxpk= 25, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 772, 773, 774, 776, 777, 778,
&end
#
# 50 VAL MGY 50 VAL HB 2.50 (# 2875:25 Unique 2.35, 2.66 A)
&rst
ixpk= 2875, nxpk= 25, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 772, 773, 774, 776, 777, 778,
&end
#
# 83 LYS QG 83 LYS QB 2.50 (# 2876:25 Unique 2.39, 2.76 A)
&rst
ixpk= 2876, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1249,1250,
igr2=1246,1247,
&end
#
# 29 THR HB 29 THR HA 3.50 (# 2880:25 Unique 2.61, 2.64 A)
&rst
ixpk= 2880, nxpk= 25, iat= 437, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 GLU QG 29 THR HA 5.50 (# 2881:25 Unique 2.61, 4.06 A)
&rst
ixpk= 2881, nxpk= 25, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 805, 806,
&end
#
# 29 THR MG2 29 THR HA 3.50 (# 2882:25 Unique 2.37, 2.95 A)
&rst
ixpk= 2882, nxpk= 25, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 439, 440, 441,
&end
#
# 78 VAL MGY 78 VAL HB 2.50 (# 2883:25 Unique 2.42, 2.67 A)
&rst
ixpk= 2883, nxpk= 25, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1179,1180,1181,1183,1184,1185,
&end
#
# 84 GLN HA 84 GLN HG- 4.50 (# 2884:25 Unique 2.29, 3.01 A)
&rst
ixpk= 2884, nxpk= 25, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1271,1272,
&end
#
# 70 THR MG2 84 GLN HG+ 4.50 (# 2885:25 Unique 2.32, 3.75 A)
&rst
ixpk= 2885, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1069,1070,1071,
igr2=1271,1272,
&end
#
# 84 GLN HA 84 GLN HG+ 4.50 (# 2886:25 Unique 2.29, 3.01 A)
&rst
ixpk= 2886, nxpk= 25, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1271,1272,
&end
#
# 0 AMB 25-2:2887 3 SER HB- 5.50 (# 2887:25 Single Ambig)
&rst
ixpk= 2887, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 68, 69, 68, 69,
igr2= 35, 36,
&end
#
# 38 LYS HG+ 52 GLU QG 5.50 (# 2888:25 Unique 6.07, 6.75 A)
&rst
ixpk= 2888, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 578, 579,
igr2= 805, 806,
&end
#
# 38 LYS HA 38 LYS HB+ 4.50 (# 2889:25 Unique 2.44, 2.79 A)
&rst
ixpk= 2889, nxpk= 25, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 575, 576,
&end
#
# 50 VAL MGX 52 GLU QG 5.50 (# 2890:25 Unique 2.16, 4.71 A)
&rst
ixpk= 2890, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 772, 773, 774, 776, 777, 778,
igr2= 805, 806,
&end
#
# 38 LYS HG+ 38 LYS HB+ 5.50 (# 2891:25 Unique 2.39, 2.78 A)
&rst
ixpk= 2891, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 578, 579,
igr2= 575, 576,
&end
#
# 112 LYS HA 112 LYS HB+ 3.50 (# 2893:25 Unique 2.37, 2.72 A)
&rst
ixpk= 2893, nxpk= 25, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1684,1685,
&end
#
# 84 GLN HB- 84 GLN HG- 3.50 (# 2895:25 Unique 2.24, 2.64 A)
&rst
ixpk= 2895, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1268,1269,
igr2=1271,1272,
&end
#
# 70 THR MG2 84 GLN HG- 3.50 (# 2896:25 Unique 2.32, 3.75 A)
&rst
ixpk= 2896, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1069,1070,1071,
igr2=1271,1272,
&end
#
# 112 LYS HA 112 LYS HB- 4.50 (# 2897:25 Unique 2.37, 2.72 A)
&rst
ixpk= 2897, nxpk= 25, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1684,1685,
&end
#
# 112 LYS QG 112 LYS HB- 2.50 (# 2898:25 Unique 2.29, 2.73 A)
&rst
ixpk= 2898, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1687,1688,
igr2=1684,1685,
&end
#
# 84 GLN HB- 84 GLN HG+ 3.50 (# 2900:25 Unique 2.24, 2.64 A)
&rst
ixpk= 2900, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1268,1269,
igr2=1271,1272,
&end
#
# 52 GLU HB- 52 GLU QG 2.50 (# 2906:25 Unique 2.25, 2.75 A)
&rst
ixpk= 2906, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 802, 803,
igr2= 805, 806,
&end
#
# 50 VAL MGY 52 GLU QG 3.50 (# 2907:25 Unique 2.16, 4.71 A)
&rst
ixpk= 2907, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 772, 773, 774, 776, 777, 778,
igr2= 805, 806,
&end
#
# 24 VAL MGX 51 VAL HB 5.50 (# 2909:25 Unique 3.75, 6.42 A)
&rst
ixpk= 2909, nxpk= 25, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 25-2:2910 51 VAL HB 2.50 (# 2910:25 Single Ambig)
&rst
ixpk= 2910, nxpk= 25, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 788, 789, 790, 792, 793, 794, 822, 823, 824, 826,
827, 828,
&end
#
# 51 VAL MGX 51 VAL HB 3.50 (# 2911:25 Unique 2.40, 2.66 A)
&rst
ixpk= 2911, nxpk= 25, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 788, 789, 790, 792, 793, 794,
&end
#
# 0 AMB 25-2:2913 0 AMB 25-1:2913 5.50 (# 2913:25 Double Ambig)
&rst
ixpk= 2913, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 149, 244,
igr2= 192, 193, 170, 171,
&end
#
# 12 LYS HG- 12 LYS QB 2.50 (# 2914:25 Unique 2.26, 2.76 A)
&rst
ixpk= 2914, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 173, 174,
igr2= 170, 171,
&end
#
# 11 LEU MDX 12 LYS QB 4.50 (# 2915:25 Unique 3.66, 6.38 A)
&rst
ixpk= 2915, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 156, 157, 158, 160, 161, 162,
igr2= 170, 171,
&end
#
# 0 AMB 25-2:2916 0 AMB 25-1:2916 2.50 (# 2916:25 Double Ambig)
&rst
ixpk= 2916, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 44, 129,
igr2= 46, 47, 170, 171,
&end
#
# 12 LYS HA 12 LYS QB 2.50 (# 2917:25 Unique 2.44, 2.78 A)
&rst
ixpk= 2917, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 170, 171,
&end
#
# 12 LYS QE 12 LYS QB 4.50 (# 2918:25 Unique 2.15, 4.35 A)
&rst
ixpk= 2918, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 179, 180,
igr2= 170, 171,
&end
#
# 12 LYS QD 12 LYS QB 2.50 (# 2919:25 Unique 2.36, 2.90 A)
&rst
ixpk= 2919, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 176, 177,
igr2= 170, 171,
&end
#
# 0 AMB 25-2:2920 0 AMB 25-1:2920 2.50 (# 2920:25 Double Ambig)
&rst
ixpk= 2920, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 173, 174, 49, 50, 49, 50,
igr2= 170, 171, 46, 47,
&end
#
# 0 AMB 25-2:2921 0 AMB 25-1:2921 5.50 (# 2921:25 Double Ambig)
&rst
ixpk= 2921, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1461,1462, 170, 171,
igr2=1402,1403, 224, 225,
&end
#
# 0 AMB 25-2:2923 34 CYS HA 3.50 (# 2923:25 Single Ambig)
&rst
ixpk= 2923, nxpk= 25, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 510, 511,1146,1147,
&end
#
# 34 CYS HB- 34 CYS HA 4.50 (# 2924:25 Unique 2.48, 2.78 A)
&rst
ixpk= 2924, nxpk= 25, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 510, 511,
&end
#
# 76 PRO HB+ 34 CYS HA 4.50 (# 2925:25 Unique 2.27, 3.18 A)
&rst
ixpk= 2925, nxpk= 25, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1152,1153,
&end
#
# 37 VAL HB 34 CYS HA 4.50 (# 2926:25 Unique 2.60, 2.92 A)
&rst
ixpk= 2926, nxpk= 25, iat= 559, 508, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 VAL MGY 34 CYS HA 4.50 (# 2927:25 Unique 3.31, 4.81 A)
&rst
ixpk= 2927, nxpk= 25, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 561, 562, 563, 565, 566, 567,
&end
#
# 0 AMB 25-2:2928 34 CYS HA 3.50 (# 2928:25 Single Ambig)
&rst
ixpk= 2928, nxpk= 25, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1149,1150,1152,1153,
&end
#
# 0 AMB 25-2:2929 0 AMB 25-1:2929 4.50 (# 2929:25 Double Ambig)
&rst
ixpk= 2929, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 319, 320, 319, 320,
igr2= 325, 326, 325, 326,
&end
#
# 0 AMB 25-2:2931 0 AMB 25-1:2931 3.50 (# 2931:25 Double Ambig)
&rst
ixpk= 2931, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1650,1651,1652,1630,1631,1632,
igr2= 325, 326, 325, 326,
&end
#
# 23 VAL MGX 22 PRO HB+ 5.50 (# 2932:25 Unique 2.87, 6.13 A)
&rst
ixpk= 2932, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 338, 339, 340, 342, 343, 344,
igr2= 325, 326,
&end
#
# 0 AMB 25-2:2935 22 PRO HB- 4.50 (# 2935:25 Single Ambig)
&rst
ixpk= 2935, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 319, 320, 319, 320,
igr2= 325, 326,
&end
#
# 0 AMB 25-2:2936 22 PRO HB- 2.50 (# 2936:25 Single Ambig)
&rst
ixpk= 2936, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1650,1651,1652,1630,1631,1632,
igr2= 325, 326,
&end
#
# 94 LYS HA 94 LYS HB+ 4.50 (# 2937:25 Unique 2.48, 2.78 A)
&rst
ixpk= 2937, nxpk= 25, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1402,1403,
&end
#
# 91 VAL HA 94 LYS HB+ 5.50 (# 2938:25 Unique 2.38, 3.35 A)
&rst
ixpk= 2938, nxpk= 25, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1402,1403,
&end
#
# 94 LYS QG 94 LYS HB+ 3.50 (# 2939:25 Unique 2.43, 2.78 A)
&rst
ixpk= 2939, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1405,1406,
igr2=1402,1403,
&end
#
# 4 LYS HA 4 LYS HB+ 2.50 (# 2941:25 Unique 2.41, 2.70 A)
&rst
ixpk= 2941, nxpk= 25, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 46, 47,
&end
#
# 0 AMB 25-2:2942 0 AMB 25-1:2942 2.50 (# 2942:25 Double Ambig)
&rst
ixpk= 2942, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 49, 50, 49, 50,1402,1403,
igr2= 46, 47, 46, 47,1496,1497,
&end
#
# 94 LYS HA 94 LYS HB- 4.50 (# 2943:25 Unique 2.48, 2.78 A)
&rst
ixpk= 2943, nxpk= 25, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1402,1403,
&end
#
# 100 LEU HB- 94 LYS HB- 5.50 (# 2944:25 Unique 2.37, 3.36 A)
&rst
ixpk= 2944, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1511,1512,
igr2=1402,1403,
&end
#
# 0 AMB 25-2:2945 0 AMB 25-1:2945 5.50 (# 2945:25 Double Ambig)
&rst
ixpk= 2945, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 156, 157, 158, 160, 161, 162,1568,1569,1570,1572,
1573,1574,1568,1569,1570,1572,1573,1574,
igr2= 224, 225,1402,1403,
&end
#
# 0 AMB 25-2:2946 15 LYS QB 3.50 (# 2946:25 Single Ambig)
&rst
ixpk= 2946, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 222, 168,
igr2= 224, 225,
&end
#
# 0 AMB 25-2:2948 0 AMB 25-1:2948 2.50 (# 2948:25 Double Ambig)
&rst
ixpk= 2948, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 233, 234,1405,1406,
igr2= 224, 225,1402,1403,
&end
#
# 15 LYS QD 15 LYS QB 3.50 (# 2949:25 Unique 2.45, 2.84 A)
&rst
ixpk= 2949, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 230, 231,
igr2= 224, 225,
&end
#
# 0 AMB 25-2:2950 94 LYS HB- 4.50 (# 2950:25 Single Ambig)
&rst
ixpk= 2950, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
1521,1522,
igr2=1402,1403,
&end
#
# 15 LYS HG- 15 LYS QB 3.50 (# 2951:25 Unique 2.37, 2.76 A)
&rst
ixpk= 2951, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 227, 228,
igr2= 224, 225,
&end
#
# 15 LYS HG+ 15 LYS QB 4.50 (# 2952:25 Unique 2.37, 2.76 A)
&rst
ixpk= 2952, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 227, 228,
igr2= 224, 225,
&end
#
# 82 GLY HA- 19 SER HB+ 5.50 (# 2953:25 Unique 2.99, 5.17 A)
&rst
ixpk= 2953, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1237,1238,
igr2= 290, 291,
&end
#
# 18 ALA MB 19 SER HB+ 5.50 (# 2955:25 Unique 4.10, 6.05 A)
&rst
ixpk= 2955, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 280, 281, 282,
igr2= 290, 291,
&end
#
# 37 VAL MGX 34 CYS HA 4.50 (# 2957:25 Unique 3.31, 4.81 A)
&rst
ixpk= 2957, nxpk= 25, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 561, 562, 563, 565, 566, 567,
&end
#
# 22 PRO HG+ 22 PRO HB+ 3.50 (# 2958:25 Unique 2.39, 2.64 A)
&rst
ixpk= 2958, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 322, 323,
igr2= 325, 326,
&end
#
# 114 PRO HA 114 PRO HB- 3.50 (# 2959:25 Unique 2.26, 2.60 A)
&rst
ixpk= 2959, nxpk= 25, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1723,1724,
&end
#
# 114 PRO HD- 114 PRO HB- 4.50 (# 2960:25 Unique 2.76, 3.68 A)
&rst
ixpk= 2960, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1717,1718,
igr2=1723,1724,
&end
#
# 0 AMB 25-2:2962 75 VAL HB 3.50 (# 2962:25 Single Ambig)
&rst
ixpk= 2962, nxpk= 25, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
1140,1141,
&end
#
# 92 VAL HA 92 VAL HB 4.50 (# 2964:25 Unique 2.42, 2.98 A)
&rst
ixpk= 2964, nxpk= 25, iat=1369,1371, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 PRO HA 22 PRO HB- 2.50 (# 2965:25 Unique 2.30, 2.52 A)
&rst
ixpk= 2965, nxpk= 25, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 325, 326,
&end
#
# 94 LYS HA 99 GLU HB+ 5.50 (# 2966:25 Unique 2.55, 3.33 A)
&rst
ixpk= 2966, nxpk= 25, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1496,1497,
&end
#
# 97 ARG HB- 99 GLU HB+ 5.50 (# 2968:25 Unique 2.35, 3.44 A)
&rst
ixpk= 2968, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1458,1459,
igr2=1496,1497,
&end
#
# 99 GLU QG 94 LYS HB+ 4.50 (# 2969:25 Unique 3.53, 5.39 A)
&rst
ixpk= 2969, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1499,1500,
igr2=1402,1403,
&end
#
# 114 PRO HA 114 PRO HB+ 4.50 (# 2970:25 Unique 2.26, 2.60 A)
&rst
ixpk= 2970, nxpk= 25, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1723,1724,
&end
#
# 114 PRO HD+ 114 PRO HB+ 4.50 (# 2971:25 Unique 2.76, 3.68 A)
&rst
ixpk= 2971, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1717,1718,
igr2=1723,1724,
&end
#
# 99 GLU HA 99 GLU HB- 5.50 (# 2973:25 Unique 2.48, 2.77 A)
&rst
ixpk= 2973, nxpk= 25, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1496,1497,
&end
#
# 99 GLU QG 99 GLU HB- 3.50 (# 2974:25 Unique 2.34, 2.76 A)
&rst
ixpk= 2974, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1499,1500,
igr2=1496,1497,
&end
#
# 8 ASP HA 0 AMB 25-1:2976 5.50 (# 2976:25 Single Ambig)
&rst
ixpk= 2976, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 170, 171, 46, 47,
&end
#
# 15 LYS HA 19 SER HB+ 5.50 (# 2978:25 Unique 5.12, 6.02 A)
&rst
ixpk= 2978, nxpk= 25, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 290, 291,
&end
#
# 22 PRO HG- 47 SER HB+ 5.50 (# 2979:25 Unique 2.55, 3.74 A)
&rst
ixpk= 2979, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 322, 323,
igr2= 716, 717,
&end
#
# 92 VAL MGX 92 VAL HB 2.50 (# 2982:25 Unique 2.41, 2.67 A)
&rst
ixpk= 2982, nxpk= 25, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1373,1374,1375,1377,1378,1379,
&end
#
# 114 PRO HD- 114 PRO HA 5.50 (# 2983:25 Unique 3.34, 3.76 A)
&rst
ixpk= 2983, nxpk= 25, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1717,1718,
&end
#
# 0 AMB 25-2:2984 114 PRO HA 3.50 (# 2984:25 Single Ambig)
&rst
ixpk= 2984, nxpk= 25, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1723,1724,1720,1721,
&end
#
# 0 AMB 25-2:2988 20 SER HB- 5.50 (# 2988:25 Single Ambig)
&rst
ixpk= 2988, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 266, 267, 268, 270, 271, 272, 354, 355, 356, 358,
359, 360,
igr2= 301, 302,
&end
#
# 109 ALA HA 47 SER HB+ 5.50 (# 2989:25 Unique 2.64, 3.95 A)
&rst
ixpk= 2989, nxpk= 25, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 716, 717,
&end
#
# 109 ALA MB 47 SER HB+ 5.50 (# 2990:25 Unique 3.55, 5.53 A)
&rst
ixpk= 2990, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1650,1651,1652,
igr2= 716, 717,
&end
#
# 46 ALA MB 47 SER HB+ 5.50 (# 2991:25 Unique 4.83, 6.34 A)
&rst
ixpk= 2991, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 706, 707, 708,
igr2= 716, 717,
&end
#
# 109 ALA HA 47 SER HB- 5.50 (# 2992:25 Unique 2.64, 3.95 A)
&rst
ixpk= 2992, nxpk= 25, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 716, 717,
&end
#
# 22 PRO HB- 47 SER HB- 5.50 (# 2993:25 Unique 4.52, 5.93 A)
&rst
ixpk= 2993, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 325, 326,
igr2= 716, 717,
&end
#
# 34 CYS HA 37 VAL HB 4.50 (# 2995:25 Unique 2.60, 2.92 A)
&rst
ixpk= 2995, nxpk= 25, iat= 508, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:2996 0 AMB 25-1:2996 3.50 (# 2996:25 Double Ambig)
&rst
ixpk= 2996, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 557, 510, 511,
igr2= 559,1355,
&end
#
# 91 VAL HA 91 VAL HB 5.50 (# 2997:25 Unique 2.44, 2.47 A)
&rst
ixpk= 2997, nxpk= 25, iat=1353,1355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:2998 37 VAL HB 3.50 (# 2998:25 Single Ambig)
&rst
ixpk= 2998, nxpk= 25, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1149,1150,1152,1153,
&end
#
# 0 AMB 25-2:2999 0 AMB 25-1:2999 5.50 (# 2999:25 Double Ambig)
&rst
ixpk= 2999, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 578, 579,1511,1512,
igr2= 559,1355,
&end
#
# 37 VAL MGY 37 VAL HB 2.50 (# 3000:25 Unique 2.43, 2.67 A)
&rst
ixpk= 3000, nxpk= 25, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 561, 562, 563, 565, 566, 567,
&end
#
# 0 AMB 25-2:3001 0 AMB 25-1:3001 2.50 (# 3001:25 Double Ambig)
&rst
ixpk= 3001, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
1362,1363,1357,1358,1359,1361,1362,1363, 561, 562,
563, 565, 566, 567,
igr2=1355, 559,
&end
#
# 0 AMB 25-2:3002 0 AMB 25-1:3002 4.50 (# 3002:25 Double Ambig)
&rst
ixpk= 3002, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 619, 620, 621, 623, 624, 625, 370, 371, 372, 374,
375, 376,
igr2=1355, 559,
&end
#
# 72 ARG HD- 72 ARG HB+ 5.50 (# 3003:25 Unique 2.20, 3.04 A)
&rst
ixpk= 3003, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1094,1095,
igr2=1088,1089,
&end
#
# 114 PRO HB- 114 PRO HA 3.50 (# 3005:25 Unique 2.26, 2.60 A)
&rst
ixpk= 3005, nxpk= 25, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1723,1724,
&end
#
# 0 AMB 25-2:3006 114 PRO HA 5.50 (# 3006:25 Single Ambig)
&rst
ixpk= 3006, nxpk= 25, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1674,1675,1676,1734,1735,1736,
&end
#
# 40 LEU HG 95 HIS HB- 4.50 (# 3007:25 Unique 3.27, 3.86 A)
&rst
ixpk= 3007, nxpk= 25, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1424,1425,
&end
#
# 46 ALA MB 44 VAL HB 5.50 (# 3008:25 Unique 4.16, 5.58 A)
&rst
ixpk= 3008, nxpk= 25, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 706, 707, 708,
&end
#
# 101 LEU MDX 44 VAL HB 4.50 (# 3009:25 Unique 2.25, 4.44 A)
&rst
ixpk= 3009, nxpk= 25, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1535,1536,1537,1539,1540,1541,
&end
#
# 0 AMB 25-2:3010 44 VAL HB 2.50 (# 3010:25 Single Ambig)
&rst
ixpk= 3010, nxpk= 25, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
690, 691,
&end
#
# 44 VAL HA 44 VAL HB 2.50 (# 3011:25 Unique 2.42, 2.47 A)
&rst
ixpk= 3011, nxpk= 25, iat= 681, 683, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 102 PRO HD- 102 PRO HB- 5.50 (# 3012:25 Unique 2.82, 3.70 A)
&rst
ixpk= 3012, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1546,1547,
igr2=1552,1553,
&end
#
# 102 PRO HD+ 102 PRO HB- 5.50 (# 3013:25 Unique 2.82, 3.70 A)
&rst
ixpk= 3013, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1546,1547,
igr2=1552,1553,
&end
#
# 102 PRO HA 102 PRO HB- 3.50 (# 3014:25 Unique 2.26, 2.68 A)
&rst
ixpk= 3014, nxpk= 25, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1552,1553,
&end
#
# 102 PRO HG+ 102 PRO HB- 3.50 (# 3015:25 Unique 2.35, 2.62 A)
&rst
ixpk= 3015, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1549,1550,
igr2=1552,1553,
&end
#
# 50 VAL MGX 38 LYS HD- 5.50 (# 3016:25 Unique 2.24, 4.54 A)
&rst
ixpk= 3016, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 772, 773, 774, 776, 777, 778,
igr2= 581, 582,
&end
#
# 50 VAL MGY 38 LYS HD- 5.50 (# 3019:25 Unique 2.24, 4.54 A)
&rst
ixpk= 3019, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 772, 773, 774, 776, 777, 778,
igr2= 581, 582,
&end
#
# 0 AMB 25-2:3020 38 LYS HD- 4.50 (# 3020:25 Single Ambig)
&rst
ixpk= 3020, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 584, 585, 584, 585,
igr2= 581, 582,
&end
#
# 38 LYS HG+ 38 LYS HD- 5.50 (# 3021:25 Unique 2.35, 2.61 A)
&rst
ixpk= 3021, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 578, 579,
igr2= 581, 582,
&end
#
# 35 ASN HA 38 LYS HD+ 4.50 (# 3022:25 Unique 2.34, 3.36 A)
&rst
ixpk= 3022, nxpk= 25, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 581, 582,
&end
#
# 0 AMB 25-2:3023 0 AMB 25-1:3023 4.50 (# 3023:25 Double Ambig)
&rst
ixpk= 3023, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1094,1095, 584, 585,
igr2=1088,1089, 581, 582,
&end
#
# 38 LYS HB+ 38 LYS HD+ 5.50 (# 3024:25 Unique 2.32, 3.30 A)
&rst
ixpk= 3024, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 575, 576,
igr2= 581, 582,
&end
#
# 38 LYS HG+ 38 LYS HD+ 5.50 (# 3026:25 Unique 2.35, 2.61 A)
&rst
ixpk= 3026, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 578, 579,
igr2= 581, 582,
&end
#
# 0 AMB 25-2:3028 0 AMB 25-1:3028 4.50 (# 3028:25 Double Ambig)
&rst
ixpk= 3028, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 156, 157, 158, 160, 161, 162,1516,1517,1518,1520,
1521,1522,
igr2=1043,1044,1424,1425,
&end
#
# 100 LEU MDY 95 HIS HB+ 4.50 (# 3030:25 Unique 2.24, 4.97 A)
&rst
ixpk= 3030, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1516,1517,1518,1520,1521,1522,
igr2=1424,1425,
&end
#
# 102 PRO HD- 102 PRO HB+ 5.50 (# 3031:25 Unique 2.82, 3.70 A)
&rst
ixpk= 3031, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1546,1547,
igr2=1552,1553,
&end
#
# 102 PRO HD+ 102 PRO HB+ 5.50 (# 3032:25 Unique 2.82, 3.70 A)
&rst
ixpk= 3032, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1546,1547,
igr2=1552,1553,
&end
#
# 102 PRO HG- 102 PRO HB+ 3.50 (# 3033:25 Unique 2.35, 2.62 A)
&rst
ixpk= 3033, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1549,1550,
igr2=1552,1553,
&end
#
# 102 PRO HG+ 102 PRO HB+ 3.50 (# 3034:25 Unique 2.35, 2.62 A)
&rst
ixpk= 3034, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1549,1550,
igr2=1552,1553,
&end
#
# 102 PRO HG- 102 PRO HB- 3.50 (# 3037:25 Unique 2.35, 2.62 A)
&rst
ixpk= 3037, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1549,1550,
igr2=1552,1553,
&end
#
# 55 GLU HA 55 GLU HB+ 3.50 (# 3038:25 Unique 2.40, 2.73 A)
&rst
ixpk= 3038, nxpk= 25, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 848, 849,
&end
#
# 55 GLU HA 55 GLU HB- 4.50 (# 3039:25 Unique 2.40, 2.73 A)
&rst
ixpk= 3039, nxpk= 25, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 848, 849,
&end
#
# 31 CYS HA 31 CYS HB- 5.50 (# 3041:25 Unique 2.27, 2.71 A)
&rst
ixpk= 3041, nxpk= 25, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 473, 472,
&end
#
# 97 ARG HA 97 ARG HB+ 4.50 (# 3042:25 Unique 2.32, 2.75 A)
&rst
ixpk= 3042, nxpk= 25, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1458,1459,
&end
#
# 97 ARG HA 97 ARG HB- 5.50 (# 3043:25 Unique 2.32, 2.75 A)
&rst
ixpk= 3043, nxpk= 25, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1458,1459,
&end
#
# 97 ARG QD 97 ARG HB+ 4.50 (# 3044:25 Unique 2.36, 3.19 A)
&rst
ixpk= 3044, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1464,1465,
igr2=1458,1459,
&end
#
# 97 ARG QD 97 ARG HB- 4.50 (# 3045:25 Unique 2.36, 3.19 A)
&rst
ixpk= 3045, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1464,1465,
igr2=1458,1459,
&end
#
# 0 AMB 25-2:3046 0 AMB 25-1:3046 5.50 (# 3046:25 Double Ambig)
&rst
ixpk= 3046, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1012, 983,1063,
igr2=1026,1027,1026,1027,1026,1027,
&end
#
# 7 LEU MDX 68 HIS HB+ 5.50 (# 3047:25 Unique 2.50, 4.16 A)
&rst
ixpk= 3047, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 105, 106, 107, 109, 110, 111,
igr2=1026,1027,
&end
#
# 11 LEU MDX 68 HIS HB+ 5.50 (# 3048:25 Unique 4.50, 7.62 A)
&rst
ixpk= 3048, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 156, 157, 158, 160, 161, 162,
igr2=1026,1027,
&end
#
# 49 LYS HA 49 LYS QD 4.50 (# 3049:25 Unique 3.82, 4.50 A)
&rst
ixpk= 3049, nxpk= 25, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 754, 755,
&end
#
# 83 LYS HA 83 LYS QD 4.50 (# 3055:25 Unique 2.40, 4.63 A)
&rst
ixpk= 3055, nxpk= 25, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1252,1253,
&end
#
# 0 AMB 25-2:3059 0 AMB 25-1:3059 5.50 (# 3059:25 Double Ambig)
&rst
ixpk= 3059, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 310, 834,
igr2= 322, 323, 959, 960,
&end
#
# 0 AMB 25-2:3060 0 AMB 25-1:3060 5.50 (# 3060:25 Double Ambig)
&rst
ixpk= 3060, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 310,1480,
igr2= 322, 323,1549,1550,
&end
#
# 0 AMB 25-2:3062 80 ILE HG1- 5.50 (# 3062:25 Single Ambig)
&rst
ixpk= 3062, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1211, 334,
igr2=1219,1220,
&end
#
# 72 ARG HA 72 ARG HG+ 5.50 (# 3066:25 Unique 2.41, 3.01 A)
&rst
ixpk= 3066, nxpk= 25, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1091,1092,
&end
#
# 72 ARG HA 72 ARG HG- 5.50 (# 3068:25 Unique 2.41, 3.01 A)
&rst
ixpk= 3068, nxpk= 25, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1091,1092,
&end
#
# 3 SER HA 4 LYS HA 5.50 (# 3069:25 Unique 4.23, 4.59 A)
&rst
ixpk= 3069, nxpk= 25, iat= 33, 44, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 PHE HA 85 ILE HG1- 5.50 (# 3072:25 Unique 2.33, 3.29 A)
&rst
ixpk= 3072, nxpk= 25, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1291,1292,
&end
#
# 83 LYS HA 84 GLN HB+ 5.50 (# 3073:25 Unique 4.22, 4.66 A)
&rst
ixpk= 3073, nxpk= 25, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1268,1269,
&end
#
# 76 PRO HA 75 VAL HA 3.50 (# 3075:25 Unique 2.22, 2.37 A)
&rst
ixpk= 3075, nxpk= 25, iat=1155,1131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:3079 0 AMB 25-1:3079 3.50 (# 3079:25 Double Ambig)
&rst
ixpk= 3079, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1422, 903, 904,
igr2=1516,1517,1518,1520,1521,1522, 943,
&end
#
# 76 PRO HA 53 LEU MDY 5.50 (# 3080:25 Unique 5.57, 7.98 A)
&rst
ixpk= 3080, nxpk= 25, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 26 PHE HA 53 LEU MDY 5.50 (# 3081:25 Unique 3.10, 4.96 A)
&rst
ixpk= 3081, nxpk= 25, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 25-2:3083 56 LEU MDY 4.50 (# 3083:25 Single Ambig)
&rst
ixpk= 3083, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 861, 903, 904,
igr2= 868, 869, 870, 872, 873, 874,
&end
#
# 49 LYS HA 49 LYS HG+ 5.50 (# 3087:25 Unique 2.46, 2.96 A)
&rst
ixpk= 3087, nxpk= 25, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 751, 752,
&end
#
# 49 LYS HA 49 LYS HG- 4.50 (# 3090:25 Unique 2.46, 2.96 A)
&rst
ixpk= 3090, nxpk= 25, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 751, 752,
&end
#
# 79 PHE HA 84 GLN HA 4.50 (# 3095:25 Unique 2.23, 2.44 A)
&rst
ixpk= 3095, nxpk= 25, iat=1191,1266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 PRO HA 37 VAL MGY 5.50 (# 3098:25 Unique 5.29, 6.73 A)
&rst
ixpk= 3098, nxpk= 25, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 33 TYR HA 37 VAL MGY 5.50 (# 3099:25 Unique 4.29, 6.76 A)
&rst
ixpk= 3099, nxpk= 25, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 83 LYS HA 83 LYS QG 3.50 (# 3100:25 Unique 2.49, 3.09 A)
&rst
ixpk= 3100, nxpk= 25, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1249,1250,
&end
#
# 59 GLY HA- 62 LEU MDY 5.50 (# 3102:25 Unique 3.74, 6.53 A)
&rst
ixpk= 3102, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 903, 904,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 0 AMB 25-2:3103 104 LEU MDX 5.50 (# 3103:25 Single Ambig)
&rst
ixpk= 3103, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1211, 334,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 77 ASN HD2- 66 LEU MDY 5.50 (# 3104:25 Unique 2.18, 5.24 A)
&rst
ixpk= 3104, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1168,1169,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 26 PHE HA 53 LEU MDX 5.50 (# 3106:25 Unique 3.10, 4.96 A)
&rst
ixpk= 3106, nxpk= 25, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 46 ALA HA 104 LEU MDX 5.50 (# 3109:25 Unique 3.51, 5.14 A)
&rst
ixpk= 3109, nxpk= 25, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 48 TYR HA 104 LEU MDX 5.50 (# 3110:25 Unique 6.18, 7.93 A)
&rst
ixpk= 3110, nxpk= 25, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1587,1588,1589,1591,1592,1593,
&end
#
# 113 ASN HA 112 LYS HA 5.50 (# 3112:25 Unique 4.30, 4.62 A)
&rst
ixpk= 3112, nxpk= 25, iat=1704,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU HA 53 LEU MDX 5.50 (# 3113:25 Unique 3.77, 5.94 A)
&rst
ixpk= 3113, nxpk= 25, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 59 GLY HA- 62 LEU MDY 5.50 (# 3118:25 Unique 3.74, 6.53 A)
&rst
ixpk= 3118, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 903, 904,
igr2= 945, 946, 947, 949, 950, 951,
&end
#
# 26 PHE HA 50 VAL MGX 5.50 (# 3125:25 Unique 4.39, 6.56 A)
&rst
ixpk= 3125, nxpk= 25, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 49 LYS HA 50 VAL MGX 4.50 (# 3126:25 Unique 3.03, 5.44 A)
&rst
ixpk= 3126, nxpk= 25, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 52 GLU HA 50 VAL MGX 5.50 (# 3127:25 Unique 3.44, 6.20 A)
&rst
ixpk= 3127, nxpk= 25, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 50 VAL HA 50 VAL MGX 3.50 (# 3128:25 Unique 2.48, 3.31 A)
&rst
ixpk= 3128, nxpk= 25, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 77 ASN HD2- 66 LEU MDX 5.50 (# 3131:25 Unique 2.18, 5.24 A)
&rst
ixpk= 3131, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1168,1169,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 25 VAL HA 78 VAL MGX 4.50 (# 3135:25 Unique 2.86, 4.36 A)
&rst
ixpk= 3135, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 26 PHE HA 75 VAL MGY 5.50 (# 3137:25 Unique 4.81, 7.13 A)
&rst
ixpk= 3137, nxpk= 25, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 48 TYR HA 23 VAL MGX 4.50 (# 3141:25 Unique 3.55, 4.48 A)
&rst
ixpk= 3141, nxpk= 25, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 25-2:3142 23 VAL MGX 3.50 (# 3142:25 Single Ambig)
&rst
ixpk= 3142, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 334,1211,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 27 SER HA 50 VAL MGY 5.50 (# 3143:25 Unique 5.16, 7.52 A)
&rst
ixpk= 3143, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 26 PHE HA 17 LEU MDX 5.50 (# 3144:25 Unique 5.77, 7.53 A)
&rst
ixpk= 3144, nxpk= 25, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 266, 267, 268, 270, 271, 272,
&end
#
# 26 PHE HA 75 VAL MGY 5.50 (# 3146:25 Unique 4.81, 7.13 A)
&rst
ixpk= 3146, nxpk= 25, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 74 THR HA 75 VAL MGY 5.50 (# 3148:25 Unique 3.33, 4.72 A)
&rst
ixpk= 3148, nxpk= 25, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 0 AMB 25-2:3149 0 AMB 25-1:3149 4.50 (# 3149:25 Double Ambig)
&rst
ixpk= 3149, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 746, 366,
igr2= 772, 773, 774, 776, 777, 778, 354, 355, 356, 358,
359, 360,
&end
#
# 0 AMB 25-2:3150 0 AMB 25-1:3150 4.50 (# 3150:25 Double Ambig)
&rst
ixpk= 3150, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 800,1211,
igr2= 772, 773, 774, 776, 777, 778, 354, 355, 356, 358,
359, 360,
&end
#
# 0 AMB 25-2:3151 0 AMB 25-1:3151 4.50 (# 3151:25 Double Ambig)
&rst
ixpk= 3151, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1= 334, 382, 891,
igr2= 354, 355, 356, 358, 359, 360, 772, 773, 774, 776,
777, 778, 868, 869, 870, 872, 873, 874,
&end
#
# 76 PRO HA 75 VAL MGY 3.50 (# 3153:25 Unique 2.94, 4.37 A)
&rst
ixpk= 3153, nxpk= 25, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 0 AMB 25-2:3155 0 AMB 25-1:3155 5.50 (# 3155:25 Double Ambig)
&rst
ixpk= 3155, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1117, 366,1302,1303,
igr2=1135,1136,1137,1139,1140,1141, 561, 562, 563, 565,
566, 567,1357,1358,1359,1361,1362,1363,
&end
#
# 46 ALA HA 41 LEU MDX 5.50 (# 3156:25 Unique 5.16, 7.15 A)
&rst
ixpk= 3156, nxpk= 25, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 52 GLU HA 29 THR MG2 5.50 (# 3158:25 Unique 4.34, 5.39 A)
&rst
ixpk= 3158, nxpk= 25, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 439, 440, 441,
&end
#
# 30 TYR HA 29 THR MG2 5.50 (# 3160:25 Unique 6.19, 6.62 A)
&rst
ixpk= 3160, nxpk= 25, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 439, 440, 441,
&end
#
# 74 THR HA 74 THR MG2 3.50 (# 3168:25 Unique 2.34, 2.96 A)
&rst
ixpk= 3168, nxpk= 25, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1121,1122,1123,
&end
#
# 26 PHE HA 51 VAL MGY 4.50 (# 3170:25 Unique 3.20, 4.59 A)
&rst
ixpk= 3170, nxpk= 25, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 0 AMB 25-2:3171 23 VAL MGY 5.50 (# 3171:25 Single Ambig)
&rst
ixpk= 3171, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 704, 366,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 50 VAL HA 51 VAL MGY 5.50 (# 3173:25 Unique 3.21, 5.47 A)
&rst
ixpk= 3173, nxpk= 25, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 48 TYR HA 23 VAL MGY 4.50 (# 3174:25 Unique 3.55, 4.48 A)
&rst
ixpk= 3174, nxpk= 25, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 25-2:3175 23 VAL MGY 3.50 (# 3175:25 Single Ambig)
&rst
ixpk= 3175, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 334,1211,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 48 TYR HA 25 VAL MGY 5.50 (# 3177:25 Unique 4.81, 7.48 A)
&rst
ixpk= 3177, nxpk= 25, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 25 VAL HA 25 VAL MGY 3.50 (# 3178:25 Unique 2.44, 3.17 A)
&rst
ixpk= 3178, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 77 ASN HD2- 70 THR MG2 4.50 (# 3179:25 Unique 2.11, 4.12 A)
&rst
ixpk= 3179, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1168,1169,
igr2=1069,1070,1071,
&end
#
# 0 AMB 25-2:3181 25 VAL MGY 5.50 (# 3181:25 Single Ambig)
&rst
ixpk= 3181, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 382, 334,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 27 SER HA 25 VAL MGX 4.50 (# 3185:25 Unique 4.12, 6.71 A)
&rst
ixpk= 3185, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 25 VAL HA 0 AMB 25-1:3186 3.50 (# 3186:25 Single Ambig)
&rst
ixpk= 3186, nxpk= 25, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
1184,1185,
&end
#
# 79 PHE HA 78 VAL MGY 5.50 (# 3187:25 Unique 3.89, 5.90 A)
&rst
ixpk= 3187, nxpk= 25, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 25-2:3188 0 AMB 25-1:3188 4.50 (# 3188:25 Double Ambig)
&rst
ixpk= 3188, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 382, 334,
igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
1184,1185,
&end
#
# 48 TYR HA 21 ALA MB 5.50 (# 3190:25 Unique 3.10, 4.01 A)
&rst
ixpk= 3190, nxpk= 25, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 312, 313, 314,
&end
#
# 23 VAL HA 21 ALA MB 5.50 (# 3191:25 Unique 5.15, 5.85 A)
&rst
ixpk= 3191, nxpk= 25, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 312, 313, 314,
&end
#
# 21 ALA HA 21 ALA MB 2.50 (# 3192:25 Unique 2.46, 2.69 A)
&rst
ixpk= 3192, nxpk= 25, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 312, 313, 314,
&end
#
# 46 ALA HA 46 ALA MB 2.50 (# 3194:25 Unique 2.43, 2.67 A)
&rst
ixpk= 3194, nxpk= 25, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 706, 707, 708,
&end
#
# 26 PHE HA 24 VAL MGX 5.50 (# 3197:25 Unique 4.30, 6.80 A)
&rst
ixpk= 3197, nxpk= 25, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 25-2:3199 24 VAL MGX 5.50 (# 3199:25 Single Ambig)
&rst
ixpk= 3199, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 366, 746,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 46 ALA HA 44 VAL MGX 5.50 (# 3205:25 Unique 3.90, 6.24 A)
&rst
ixpk= 3205, nxpk= 25, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 26 PHE HA 51 VAL MGX 4.50 (# 3206:25 Unique 3.20, 4.59 A)
&rst
ixpk= 3206, nxpk= 25, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 0 AMB 25-2:3207 51 VAL MGX 4.50 (# 3207:25 Single Ambig)
&rst
ixpk= 3207, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 768, 350,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 95 HIS HA 44 VAL MGX 5.50 (# 3208:25 Unique 4.64, 6.69 A)
&rst
ixpk= 3208, nxpk= 25, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 0 AMB 25-2:3209 51 VAL MGX 5.50 (# 3209:25 Single Ambig)
&rst
ixpk= 3209, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 366, 746,
igr2= 788, 789, 790, 792, 793, 794,
&end
#
# 80 ILE HA 107 ALA MB 4.50 (# 3210:25 Unique 4.43, 4.89 A)
&rst
ixpk= 3210, nxpk= 25, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1630,1631,1632,
&end
#
# 113 ASN HA 114 PRO HD- 3.50 (# 3213:25 Unique 2.11, 2.54 A)
&rst
ixpk= 3213, nxpk= 25, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1717,1718,
&end
#
# 113 ASN HA 114 PRO HD+ 3.50 (# 3214:25 Unique 2.11, 2.54 A)
&rst
ixpk= 3214, nxpk= 25, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1717,1718,
&end
#
# 21 ALA HA 22 PRO HD- 3.50 (# 3215:25 Unique 2.51, 2.56 A)
&rst
ixpk= 3215, nxpk= 25, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 319, 320,
&end
#
# 21 ALA HA 22 PRO HD+ 3.50 (# 3216:25 Unique 2.51, 2.56 A)
&rst
ixpk= 3216, nxpk= 25, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 319, 320,
&end
#
# 76 PRO HA 75 VAL MGX 3.50 (# 3221:25 Unique 2.94, 4.37 A)
&rst
ixpk= 3221, nxpk= 25, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 74 THR HA 75 VAL MGX 4.50 (# 3224:25 Unique 3.33, 4.72 A)
&rst
ixpk= 3224, nxpk= 25, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 0 AMB 25-2:3226 18 ALA MB 5.50 (# 3226:25 Single Ambig)
&rst
ixpk= 3226, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 288,1244,
igr2= 280, 281, 282,
&end
#
# 79 PHE HA 80 ILE MG2 5.50 (# 3227:25 Unique 6.49, 6.66 A)
&rst
ixpk= 3227, nxpk= 25, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1215,1216,1217,
&end
#
# 80 ILE HA 80 ILE MG2 3.50 (# 3229:25 Unique 2.47, 3.17 A)
&rst
ixpk= 3229, nxpk= 25, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1215,1216,1217,
&end
#
# 79 PHE HA 85 ILE MG2 5.50 (# 3230:25 Unique 5.68, 6.02 A)
&rst
ixpk= 3230, nxpk= 25, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1287,1288,1289,
&end
#
# 0 AMB 25-2:3233 0 AMB 25-1:3233 5.50 (# 3233:25 Double Ambig)
&rst
ixpk= 3233, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1211, 334,
igr2=1230,1231,1230,1231,
&end
#
# 0 AMB 25-2:3234 80 ILE MD1 4.50 (# 3234:25 Single Ambig)
&rst
ixpk= 3234, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1211, 334,
igr2=1222,1223,1224,
&end
#
# 79 PHE HA 80 ILE MD1 5.50 (# 3235:25 Unique 5.76, 6.26 A)
&rst
ixpk= 3235, nxpk= 25, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1222,1223,1224,
&end
#
# 19 SER HA 82 GLY HA+ 4.50 (# 3236:25 Unique 2.90, 3.60 A)
&rst
ixpk= 3236, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1237,1238,
&end
#
# 0 AMB 25-2:3239 73 GLY HA- 5.50 (# 3239:25 Single Ambig)
&rst
ixpk= 3239, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1117,1086,
igr2=1110,1111,
&end
#
# 19 SER HA 82 GLY HA- 5.50 (# 3241:25 Unique 2.90, 3.60 A)
&rst
ixpk= 3241, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1237,1238,
&end
#
# 0 AMB 25-2:3248 0 AMB 25-1:3248 4.50 (# 3248:25 Double Ambig)
&rst
ixpk= 3248, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 903, 904, 861,
igr2= 863, 864, 863, 864,
&end
#
# 0 AMB 25-2:3249 56 LEU HB- 4.50 (# 3249:25 Single Ambig)
&rst
ixpk= 3249, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 903, 904, 861,
igr2= 863, 864,
&end
#
# 79 PHE HA 79 PHE HB+ 5.50 (# 3250:25 Unique 2.54, 2.81 A)
&rst
ixpk= 3250, nxpk= 25, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1193,1194,
&end
#
# 79 PHE HA 79 PHE HB- 5.50 (# 3254:25 Unique 2.54, 2.81 A)
&rst
ixpk= 3254, nxpk= 25, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1193,1194,
&end
#
# 95 HIS HA 100 LEU HB+ 5.50 (# 3255:25 Unique 2.26, 2.69 A)
&rst
ixpk= 3255, nxpk= 25, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1511,1512,
&end
#
# 83 LYS HA 83 LYS QE 5.50 (# 3257:25 Unique 4.42, 5.13 A)
&rst
ixpk= 3257, nxpk= 25, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1255,1256,
&end
#
# 0 AMB 25-2:3259 72 ARG HD- 4.50 (# 3259:25 Single Ambig)
&rst
ixpk= 3259, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1086,1302,1303,
igr2=1094,1095,
&end
#
# 80 ILE HA 80 ILE HB 5.50 (# 3266:25 Unique 3.05, 3.05 A)
&rst
ixpk= 3266, nxpk= 25, iat=1211,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 PHE HA 85 ILE MD1 5.50 (# 3268:25 Unique 2.87, 4.71 A)
&rst
ixpk= 3268, nxpk= 25, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1294,1295,1296,
&end
#
# 0 AMB 25-2:3269 85 ILE MD1 5.50 (# 3269:25 Single Ambig)
&rst
ixpk= 3269, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1211, 334,
igr2=1294,1295,1296,
&end
#
# 48 TYR HA 48 TYR HB+ 4.50 (# 3270:25 Unique 2.37, 2.44 A)
&rst
ixpk= 3270, nxpk= 25, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 727, 728,
&end
#
# 48 TYR HA 48 TYR HB- 4.50 (# 3271:25 Unique 2.37, 2.44 A)
&rst
ixpk= 3271, nxpk= 25, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 727, 728,
&end
#
# 77 ASN HA 77 ASN HB+ 5.50 (# 3272:25 Unique 2.47, 2.80 A)
&rst
ixpk= 3272, nxpk= 25, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1163,1164,
&end
#
# 106 ASP HA 106 ASP HB+ 3.50 (# 3273:25 Unique 2.39, 2.73 A)
&rst
ixpk= 3273, nxpk= 25, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1618,1619,
&end
#
# 77 ASN HA 77 ASN HB- 5.50 (# 3274:25 Unique 2.47, 2.80 A)
&rst
ixpk= 3274, nxpk= 25, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1163,1164,
&end
#
# 106 ASP HA 106 ASP HB- 3.50 (# 3275:25 Unique 2.39, 2.73 A)
&rst
ixpk= 3275, nxpk= 25, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1618,1619,
&end
#
# 77 ASN HA 77 ASN HB- 5.50 (# 3276:25 Unique 2.47, 2.80 A)
&rst
ixpk= 3276, nxpk= 25, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1163,1164,
&end
#
# 74 THR HA 74 THR HB 3.50 (# 3279:25 Unique 2.56, 2.67 A)
&rst
ixpk= 3279, nxpk= 25, iat=1117,1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 ASP HA 54 ASP HB+ 3.50 (# 3280:25 Unique 2.42, 2.76 A)
&rst
ixpk= 3280, nxpk= 25, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 836, 837,
&end
#
# 113 ASN HA 113 ASN HB- 3.50 (# 3281:25 Unique 2.30, 2.71 A)
&rst
ixpk= 3281, nxpk= 25, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1706,1707,
&end
#
# 113 ASN HA 113 ASN HB+ 4.50 (# 3282:25 Unique 2.30, 2.71 A)
&rst
ixpk= 3282, nxpk= 25, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1706,1707,
&end
#
# 54 ASP HA 54 ASP HB- 3.50 (# 3284:25 Unique 2.42, 2.76 A)
&rst
ixpk= 3284, nxpk= 25, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 836, 837,
&end
#
# 58 ASP HA 58 ASP HB- 3.50 (# 3285:25 Unique 2.30, 2.68 A)
&rst
ixpk= 3285, nxpk= 25, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 893, 894,
&end
#
# 58 ASP HA 58 ASP HB+ 3.50 (# 3286:25 Unique 2.30, 2.68 A)
&rst
ixpk= 3286, nxpk= 25, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 893, 894,
&end
#
# 30 TYR HA 30 TYR HB- 3.50 (# 3288:25 Unique 2.40, 2.43 A)
&rst
ixpk= 3288, nxpk= 25, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 451, 452,
&end
#
# 30 TYR HA 30 TYR HB+ 4.50 (# 3289:25 Unique 2.40, 2.43 A)
&rst
ixpk= 3289, nxpk= 25, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 451, 452,
&end
#
# 98 ASN HA 98 ASN HB+ 3.50 (# 3293:25 Unique 2.37, 2.72 A)
&rst
ixpk= 3293, nxpk= 25, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1482,1483,
&end
#
# 98 ASN HA 98 ASN HB- 3.50 (# 3294:25 Unique 2.37, 2.72 A)
&rst
ixpk= 3294, nxpk= 25, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1482,1483,
&end
#
# 55 GLU HA 55 GLU HG+ 3.50 (# 3295:25 Unique 2.42, 3.15 A)
&rst
ixpk= 3295, nxpk= 25, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 851, 852,
&end
#
# 55 GLU HA 55 GLU HG- 3.50 (# 3296:25 Unique 2.42, 3.15 A)
&rst
ixpk= 3296, nxpk= 25, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 851, 852,
&end
#
# 49 LYS HA 49 LYS HB+ 4.50 (# 3299:25 Unique 2.43, 2.76 A)
&rst
ixpk= 3299, nxpk= 25, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 748, 749,
&end
#
# 49 LYS HA 49 LYS HB- 4.50 (# 3301:25 Unique 2.43, 2.76 A)
&rst
ixpk= 3301, nxpk= 25, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 748, 749,
&end
#
# 76 PRO HA 76 PRO HB+ 5.50 (# 3302:25 Unique 2.29, 2.54 A)
&rst
ixpk= 3302, nxpk= 25, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1152,1153,
&end
#
# 76 PRO HA 76 PRO HB- 5.50 (# 3303:25 Unique 2.29, 2.54 A)
&rst
ixpk= 3303, nxpk= 25, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1152,1153,
&end
#
# 48 TYR HA 23 VAL HB 3.50 (# 3307:25 Unique 2.10, 2.22 A)
&rst
ixpk= 3307, nxpk= 25, iat= 725, 336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:3308 22 PRO HA 5.50 (# 3308:25 Single Ambig)
&rst
ixpk= 3308, nxpk= 25, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 310, 288,
&end
#
# 50 VAL HA 25 VAL HB 3.50 (# 3310:25 Unique 2.39, 2.61 A)
&rst
ixpk= 3310, nxpk= 25, iat= 768, 368, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 VAL HA 25 VAL HB 5.50 (# 3311:25 Unique 3.02, 3.04 A)
&rst
ixpk= 3311, nxpk= 25, iat= 366, 368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 SER HA 27 SER HB+ 5.50 (# 3312:25 Unique 2.32, 2.66 A)
&rst
ixpk= 3312, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 404, 405,
&end
#
# 27 SER HA 27 SER HB- 5.50 (# 3314:25 Unique 2.32, 2.66 A)
&rst
ixpk= 3314, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 404, 405,
&end
#
# 50 VAL HA 50 VAL HB 3.50 (# 3316:25 Unique 2.26, 2.82 A)
&rst
ixpk= 3316, nxpk= 25, iat= 768, 770, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-2:3317 50 VAL HB 4.50 (# 3317:25 Single Ambig)
&rst
ixpk= 3317, nxpk= 25, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 746, 366,
&end
#
# 83 LYS HA 83 LYS QB 3.50 (# 3318:25 Unique 2.37, 2.69 A)
&rst
ixpk= 3318, nxpk= 25, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1246,1247,
&end
#
# 0 AMB 25-2:3319 22 PRO HA 5.50 (# 3319:25 Single Ambig)
&rst
ixpk= 3319, nxpk= 25, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 310, 288,
&end
#
# 0 AMB 25-2:3323 51 VAL HB 5.50 (# 3323:25 Single Ambig)
&rst
ixpk= 3323, nxpk= 25, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 768, 350,
&end
#
# 3 SER HA 3 SER HB- 3.50 (# 3325:25 Unique 2.33, 2.69 A)
&rst
ixpk= 3325, nxpk= 25, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 35, 36,
&end
#
# 3 SER HA 3 SER HB+ 3.50 (# 3327:25 Unique 2.33, 2.69 A)
&rst
ixpk= 3327, nxpk= 25, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 35, 36,
&end
#
# 26 PHE HA 51 VAL HB 4.50 (# 3329:25 Unique 2.12, 2.36 A)
&rst
ixpk= 3329, nxpk= 25, iat= 382, 786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 SER HA 19 SER HB+ 3.50 (# 3334:25 Unique 2.36, 2.68 A)
&rst
ixpk= 3334, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 290, 291,
&end
#
# 19 SER HA 19 SER HB- 3.50 (# 3335:25 Unique 2.36, 2.68 A)
&rst
ixpk= 3335, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 290, 291,
&end
#
# 76 PRO HA 75 VAL HB 3.50 (# 3336:25 Unique 2.26, 2.38 A)
&rst
ixpk= 3336, nxpk= 25, iat=1155,1133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 VAL MGY 76 PRO HA 3.50 (# 3337:25 Unique 2.94, 4.37 A)
&rst
ixpk= 3337, nxpk= 25, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1135,1136,1137,1139,1140,1141,
&end
#
# 0 AMB 25-2:3338 76 PRO HA 4.50 (# 3338:25 Single Ambig)
&rst
ixpk= 3338, nxpk= 25, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1152,1153,1149,1150,
&end
#
# 75 VAL HB 76 PRO HA 4.50 (# 3339:25 Unique 2.26, 2.38 A)
&rst
ixpk= 3339, nxpk= 25, iat=1133,1155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 PRO HB+ 76 PRO HA 4.50 (# 3340:25 Unique 2.29, 2.54 A)
&rst
ixpk= 3340, nxpk= 25, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1152,1153,
&end
#
# 75 VAL HA 76 PRO HA 4.50 (# 3341:25 Unique 2.22, 2.37 A)
&rst
ixpk= 3341, nxpk= 25, iat=1131,1155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 ASN HN 76 PRO HA 4.50 (# 3343:25 Unique 2.30, 2.34 A)
&rst
ixpk= 3343, nxpk= 25, iat=1159,1155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:3344 25 VAL HA 3.50 (# 3344:25 Single Ambig)
&rst
ixpk= 3344, nxpk= 25, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
1184,1185,
&end
#
# 78 VAL MGX 25 VAL HA 4.50 (# 3345:25 Unique 2.86, 4.36 A)
&rst
ixpk= 3345, nxpk= 25, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1179,1180,1181,1183,1184,1185,
&end
#
# 25 VAL MGY 25 VAL HA 3.50 (# 3346:25 Unique 2.44, 3.17 A)
&rst
ixpk= 3346, nxpk= 25, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 370, 371, 372, 374, 375, 376,
&end
#
# 0 AMB 25-2:3347 25 VAL HA 3.50 (# 3347:25 Single Ambig)
&rst
ixpk= 3347, nxpk= 25, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 380, 364,
&end
#
# 24 VAL HN 23 VAL HA 3.50 (# 3348:25 Unique 2.25, 2.27 A)
&rst
ixpk= 3348, nxpk= 25, iat= 348, 334, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 GLY HN 80 ILE HA 3.50 (# 3349:25 Unique 2.21, 2.24 A)
&rst
ixpk= 3349, nxpk= 25, iat=1228,1211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 VAL MGX 23 VAL HA 3.50 (# 3350:25 Unique 2.47, 3.20 A)
&rst
ixpk= 3350, nxpk= 25, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 23 VAL MGY 23 VAL HA 2.50 (# 3351:25 Unique 2.47, 3.20 A)
&rst
ixpk= 3351, nxpk= 25, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 80 ILE HG1- 80 ILE HA 3.50 (# 3352:25 Unique 2.47, 2.83 A)
&rst
ixpk= 3352, nxpk= 25, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1219,1220,
&end
#
# 74 THR MG2 74 THR HA 3.50 (# 3353:25 Unique 2.34, 2.96 A)
&rst
ixpk= 3353, nxpk= 25, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1121,1122,1123,
&end
#
# 0 AMB 25-2:3354 74 THR HA 4.50 (# 3354:25 Single Ambig)
&rst
ixpk= 3354, nxpk= 25, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
1140,1141,
&end
#
# 74 THR HB 74 THR HA 3.50 (# 3355:25 Unique 2.56, 2.67 A)
&rst
ixpk= 3355, nxpk= 25, iat=1119,1117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 VAL MGX 26 PHE HA 5.50 (# 3356:25 Unique 3.20, 4.59 A)
&rst
ixpk= 3356, nxpk= 25, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 788, 789, 790, 792, 793, 794,
&end
#
# 25 VAL MGX 26 PHE HA 5.50 (# 3357:25 Unique 4.33, 6.25 A)
&rst
ixpk= 3357, nxpk= 25, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 370, 371, 372, 374, 375, 376,
&end
#
# 0 AMB 25-2:3358 26 PHE HA 3.50 (# 3358:25 Single Ambig)
&rst
ixpk= 3358, nxpk= 25, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 822, 823, 824, 826, 827, 828, 788, 789, 790, 792,
793, 794, 354, 355, 356, 358, 359, 360,
&end
#
# 51 VAL HB 26 PHE HA 4.50 (# 3359:25 Unique 2.12, 2.36 A)
&rst
ixpk= 3359, nxpk= 25, iat= 786, 382, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 PHE HB- 26 PHE HA 5.50 (# 3360:25 Unique 2.46, 2.76 A)
&rst
ixpk= 3360, nxpk= 25, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 384, 385,
&end
#
# 77 ASN HB+ 26 PHE HA 5.50 (# 3361:25 Unique 5.04, 5.75 A)
&rst
ixpk= 3361, nxpk= 25, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1163,1164,
&end
#
# 26 PHE HD 26 PHE HA 4.50 (# 3363:25 Unique 2.74, 3.55 A)
&rst
ixpk= 3363, nxpk= 25, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 388, 396,
&end
#
# 51 VAL HN 26 PHE HA 5.50 (# 3364:25 Unique 2.83, 2.97 A)
&rst
ixpk= 3364, nxpk= 25, iat= 782, 382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 SER HN 26 PHE HA 3.50 (# 3365:25 Unique 2.16, 2.22 A)
&rst
ixpk= 3365, nxpk= 25, iat= 400, 382, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 LYS HN 3 SER HA 3.50 (# 3366:25 Unique 2.23, 3.03 A)
&rst
ixpk= 3366, nxpk= 25, iat= 42, 33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 SER HN 47 SER HA 4.50 (# 3367:25 Unique 2.92, 2.95 A)
&rst
ixpk= 3367, nxpk= 25, iat= 712, 714, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 TYR HN 47 SER HA 2.50 (# 3368:25 Unique 2.26, 2.31 A)
&rst
ixpk= 3368, nxpk= 25, iat= 723, 714, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 19 SER HN 19 SER HA 4.50 (# 3369:25 Unique 2.94, 2.98 A)
&rst
ixpk= 3369, nxpk= 25, iat= 286, 288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 SER HB+ 3 SER HA 2.50 (# 3370:25 Unique 2.33, 2.69 A)
&rst
ixpk= 3370, nxpk= 25, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 35, 36,
&end
#
# 3 SER HB- 3 SER HA 2.50 (# 3371:25 Unique 2.33, 2.69 A)
&rst
ixpk= 3371, nxpk= 25, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 35, 36,
&end
#
# 0 AMB 25-2:3372 47 SER HA 2.50 (# 3372:25 Single Ambig)
&rst
ixpk= 3372, nxpk= 25, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 716, 717, 716, 717,
&end
#
# 19 SER HB- 19 SER HA 3.50 (# 3373:25 Unique 2.36, 2.68 A)
&rst
ixpk= 3373, nxpk= 25, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 290, 291,
&end
#
# 19 SER HB+ 19 SER HA 3.50 (# 3374:25 Unique 2.36, 2.68 A)
&rst
ixpk= 3374, nxpk= 25, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 290, 291,
&end
#
# 82 GLY HA- 19 SER HA 4.50 (# 3375:25 Unique 2.90, 3.60 A)
&rst
ixpk= 3375, nxpk= 25, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1237,1238,
&end
#
# 82 GLY HA+ 19 SER HA 5.50 (# 3376:25 Unique 2.90, 3.60 A)
&rst
ixpk= 3376, nxpk= 25, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1237,1238,
&end
#
# 0 AMB 25-2:3377 55 GLU HA 2.50 (# 3377:25 Single Ambig)
&rst
ixpk= 3377, nxpk= 25, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 848, 849, 851, 852,
&end
#
# 55 GLU HG- 55 GLU HA 3.50 (# 3378:25 Unique 2.42, 3.15 A)
&rst
ixpk= 3378, nxpk= 25, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 851, 852,
&end
#
# 106 ASP HB- 106 ASP HA 2.50 (# 3379:25 Unique 2.39, 2.73 A)
&rst
ixpk= 3379, nxpk= 25, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1618,1619,
&end
#
# 0 AMB 25-2:3380 106 ASP HA 5.50 (# 3380:25 Single Ambig)
&rst
ixpk= 3380, nxpk= 25, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1640,1641,1642,1630,1631,1632,
&end
#
# 79 PHE HD 79 PHE HA 5.50 (# 3381:25 Unique 3.42, 3.64 A)
&rst
ixpk= 3381, nxpk= 25, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1197,1205,
&end
#
# 80 ILE HN 79 PHE HA 3.50 (# 3382:25 Unique 2.25, 2.26 A)
&rst
ixpk= 3382, nxpk= 25, iat=1209,1191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 ILE HN 79 PHE HA 4.50 (# 3383:25 Unique 2.60, 2.73 A)
&rst
ixpk= 3383, nxpk= 25, iat=1281,1191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 ILE MD1 79 PHE HA 4.50 (# 3384:25 Unique 2.87, 4.71 A)
&rst
ixpk= 3384, nxpk= 25, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1294,1295,1296,
&end
#
# 85 ILE HG1- 79 PHE HA 4.50 (# 3385:25 Unique 2.33, 3.29 A)
&rst
ixpk= 3385, nxpk= 25, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1291,1292,
&end
#
# 84 GLN HA 79 PHE HA 4.50 (# 3386:25 Unique 2.23, 2.44 A)
&rst
ixpk= 3386, nxpk= 25, iat=1266,1191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 PHE HB- 79 PHE HA 5.50 (# 3387:25 Unique 2.54, 2.81 A)
&rst
ixpk= 3387, nxpk= 25, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1193,1194,
&end
#
# 0 AMB 25-2:3388 27 SER HA 3.50 (# 3388:25 Single Ambig)
&rst
ixpk= 3388, nxpk= 25, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
1140,1141,
&end
#
# 75 VAL HB 27 SER HA 4.50 (# 3389:25 Unique 2.04, 2.20 A)
&rst
ixpk= 3389, nxpk= 25, iat=1133, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 SER HB+ 27 SER HA 4.50 (# 3390:25 Unique 2.32, 2.66 A)
&rst
ixpk= 3390, nxpk= 25, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 404, 405,
&end
#
# 28 LYS HN 27 SER HA 4.50 (# 3391:25 Unique 2.58, 2.68 A)
&rst
ixpk= 3391, nxpk= 25, iat= 411, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 SER HN 27 SER HA 5.50 (# 3392:25 Unique 2.91, 2.95 A)
&rst
ixpk= 3392, nxpk= 25, iat= 400, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 VAL MGY 48 TYR HA 5.50 (# 3393:25 Unique 4.81, 7.48 A)
&rst
ixpk= 3393, nxpk= 25, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 370, 371, 372, 374, 375, 376,
&end
#
# 23 VAL MGX 48 TYR HA 4.50 (# 3394:25 Unique 3.55, 4.48 A)
&rst
ixpk= 3394, nxpk= 25, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 23 VAL MGY 48 TYR HA 4.50 (# 3395:25 Unique 3.55, 4.48 A)
&rst
ixpk= 3395, nxpk= 25, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 0 AMB 25-2:3396 48 TYR HA 4.50 (# 3396:25 Single Ambig)
&rst
ixpk= 3396, nxpk= 25, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 312, 313, 314, 706, 707, 708,
&end
#
# 23 VAL HB 48 TYR HA 3.50 (# 3397:25 Unique 2.10, 2.22 A)
&rst
ixpk= 3397, nxpk= 25, iat= 336, 725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 TYR HB- 48 TYR HA 4.50 (# 3398:25 Unique 2.37, 2.44 A)
&rst
ixpk= 3398, nxpk= 25, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 727, 728,
&end
#
# 48 TYR HB+ 48 TYR HA 3.50 (# 3399:25 Unique 2.37, 2.44 A)
&rst
ixpk= 3399, nxpk= 25, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 727, 728,
&end
#
# 48 TYR HD 48 TYR HA 4.50 (# 3400:25 Unique 4.16, 4.27 A)
&rst
ixpk= 3400, nxpk= 25, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 731, 740,
&end
#
# 23 VAL HN 48 TYR HA 5.50 (# 3401:25 Unique 2.89, 3.04 A)
&rst
ixpk= 3401, nxpk= 25, iat= 332, 725, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 TYR HN 48 TYR HA 5.50 (# 3402:25 Unique 2.90, 2.93 A)
&rst
ixpk= 3402, nxpk= 25, iat= 723, 725, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HN 48 TYR HA 3.50 (# 3403:25 Unique 2.21, 2.33 A)
&rst
ixpk= 3403, nxpk= 25, iat= 744, 725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 ASN HN 98 ASN HA 2.50 (# 3404:25 Unique 2.19, 2.21 A)
&rst
ixpk= 3404, nxpk= 25, iat=1478,1480, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 99 GLU HN 98 ASN HA 4.50 (# 3405:25 Unique 2.56, 2.69 A)
&rst
ixpk= 3405, nxpk= 25, iat=1492,1480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 ASP HN 54 ASP HA 4.50 (# 3406:25 Unique 2.82, 2.85 A)
&rst
ixpk= 3406, nxpk= 25, iat= 832, 834, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 LEU HN 98 ASN HA 4.50 (# 3407:25 Unique 3.33, 3.59 A)
&rst
ixpk= 3407, nxpk= 25, iat=1507,1480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 TYR HD 30 TYR HA 4.50 (# 3408:25 Unique 4.13, 4.23 A)
&rst
ixpk= 3408, nxpk= 25, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 455, 464,
&end
#
# 98 ASN HB+ 98 ASN HA 2.50 (# 3409:25 Unique 2.37, 2.72 A)
&rst
ixpk= 3409, nxpk= 25, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1482,1483,
&end
#
# 54 ASP HB- 54 ASP HA 2.50 (# 3410:25 Unique 2.42, 2.76 A)
&rst
ixpk= 3410, nxpk= 25, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 836, 837,
&end
#
# 30 TYR HB- 30 TYR HA 4.50 (# 3411:25 Unique 2.40, 2.43 A)
&rst
ixpk= 3411, nxpk= 25, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 451, 452,
&end
#
# 0 AMB 25-2:3412 98 ASN HA 5.50 (# 3412:25 Single Ambig)
&rst
ixpk= 3412, nxpk= 25, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1458,1459,1461,1462,
&end
#
# 49 LYS HG+ 49 LYS HA 4.50 (# 3413:25 Unique 2.46, 2.96 A)
&rst
ixpk= 3413, nxpk= 25, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 751, 752,
&end
#
# 49 LYS HG- 49 LYS HA 3.50 (# 3414:25 Unique 2.46, 2.96 A)
&rst
ixpk= 3414, nxpk= 25, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 751, 752,
&end
#
# 49 LYS HB- 49 LYS HA 3.50 (# 3415:25 Unique 2.43, 2.76 A)
&rst
ixpk= 3415, nxpk= 25, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 748, 749,
&end
#
# 53 LEU HN 52 GLU HA 3.50 (# 3416:25 Unique 2.11, 2.20 A)
&rst
ixpk= 3416, nxpk= 25, iat= 813, 800, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 GLU HN 52 GLU HA 4.50 (# 3417:25 Unique 2.86, 2.93 A)
&rst
ixpk= 3417, nxpk= 25, iat= 798, 800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:3418 52 GLU HA 3.50 (# 3418:25 Single Ambig)
&rst
ixpk= 3418, nxpk= 25, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 805, 806, 802, 803,
&end
#
# 52 GLU HB- 52 GLU HA 4.50 (# 3419:25 Unique 2.39, 2.76 A)
&rst
ixpk= 3419, nxpk= 25, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 802, 803,
&end
#
# 0 AMB 25-2:3420 52 GLU HA 4.50 (# 3420:25 Single Ambig)
&rst
ixpk= 3420, nxpk= 25, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 772, 773, 774, 776, 777, 778, 822, 823, 824, 826,
827, 828, 788, 789, 790, 792, 793, 794,
&end
#
# 46 ALA MB 46 ALA HA 2.50 (# 3421:25 Unique 2.43, 2.67 A)
&rst
ixpk= 3421, nxpk= 25, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 706, 707, 708,
&end
#
# 0 AMB 25-2:3422 58 ASP HA 2.50 (# 3422:25 Single Ambig)
&rst
ixpk= 3422, nxpk= 25, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 893, 894, 926, 927,
&end
#
# 58 ASP HB- 58 ASP HA 3.50 (# 3423:25 Unique 2.30, 2.68 A)
&rst
ixpk= 3423, nxpk= 25, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 893, 894,
&end
#
# 0 AMB 25-2:3425 46 ALA HA 4.50 (# 3425:25 Single Ambig)
&rst
ixpk= 3425, nxpk= 25, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 716, 717, 716, 717, 631,
&end
#
# 47 SER HN 46 ALA HA 2.50 (# 3426:25 Unique 2.17, 2.20 A)
&rst
ixpk= 3426, nxpk= 25, iat= 712, 704, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 21 ALA MB 21 ALA HA 2.50 (# 3427:25 Unique 2.46, 2.69 A)
&rst
ixpk= 3427, nxpk= 25, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 312, 313, 314,
&end
#
# 0 AMB 25-2:3428 21 ALA HA 2.50 (# 3428:25 Single Ambig)
&rst
ixpk= 3428, nxpk= 25, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 319, 320, 319, 320,
&end
#
# 40 LEU HG 40 LEU MDY 4.50 (# 3429:25 Unique 2.41, 2.65 A)
&rst
ixpk= 3429, nxpk= 25, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 88 CYS HA 37 VAL MGY 2.50 (# 3431:25 Unique 2.14, 3.77 A)
&rst
ixpk= 3431, nxpk= 25, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 41 LEU MDY 37 VAL MGY 5.50 (# 3432:25 Unique 2.28, 5.78 A)
&rst
ixpk= 3432, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 79 PHE HN 79 PHE HA 5.50 (# 3433:25 Unique 2.97, 2.97 A)
&rst
ixpk= 3433, nxpk= 25, iat=1189,1191, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:3434 0 AMB 25-1:3434 4.50 (# 3434:25 Double Ambig)
&rst
ixpk= 3434, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 220, 242,
igr2= 227, 228, 227, 228,
&end
#
# 63 GLN QG 66 LEU MDY 5.50 (# 3435:25 Unique 4.86, 7.77 A)
&rst
ixpk= 3435, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 962, 963,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 26 PHE HB- 66 LEU MDY 4.50 (# 3436:25 Unique 3.31, 4.90 A)
&rst
ixpk= 3436, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 384, 385,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 81 GLY HN 81 GLY HA+ 3.50 (# 3442:25 Unique 2.28, 2.55 A)
&rst
ixpk= 3442, nxpk= 25, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1230,1231,
&end
#
# 81 GLY HN 81 GLY HA- 4.50 (# 3443:25 Unique 2.28, 2.55 A)
&rst
ixpk= 3443, nxpk= 25, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1230,1231,
&end
#
# 81 GLY HN 80 ILE MG2 4.50 (# 3444:25 Unique 2.56, 3.24 A)
&rst
ixpk= 3444, nxpk= 25, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1215,1216,1217,
&end
#
# 81 GLY HN 107 ALA MB 4.50 (# 3445:25 Unique 2.55, 3.50 A)
&rst
ixpk= 3445, nxpk= 25, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1630,1631,1632,
&end
#
# 81 GLY HN 23 VAL MGX 5.50 (# 3446:25 Unique 3.79, 5.50 A)
&rst
ixpk= 3446, nxpk= 25, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 338, 339, 340, 342, 343, 344,
&end
#
# 81 GLY HN 80 ILE MD1 5.50 (# 3447:25 Unique 5.63, 6.17 A)
&rst
ixpk= 3447, nxpk= 25, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1222,1223,1224,
&end
#
# 81 GLY HN 22 PRO HA 5.50 (# 3449:25 Unique 3.15, 3.33 A)
&rst
ixpk= 3449, nxpk= 25, iat=1228, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 GLY HN 82 GLY HA+ 5.50 (# 3450:25 Unique 5.02, 5.24 A)
&rst
ixpk= 3450, nxpk= 25, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1237,1238,
&end
#
# 69 TRP HE1 15 LYS HE+ 5.50 (# 3451:25 Unique 2.89, 3.43 A)
&rst
ixpk= 3451, nxpk= 25, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 233, 234,
&end
#
# 69 TRP HE1 15 LYS HE- 5.50 (# 3452:25 Unique 2.89, 3.43 A)
&rst
ixpk= 3452, nxpk= 25, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 233, 234,
&end
#
# 53 LEU HN 75 VAL MGX 5.50 (# 3454:25 Unique 4.28, 6.43 A)
&rst
ixpk= 3454, nxpk= 25, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 82 GLY HN 80 ILE MG2 5.50 (# 3455:25 Unique 5.07, 5.66 A)
&rst
ixpk= 3455, nxpk= 25, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1215,1216,1217,
&end
#
# 54 ASP HN 75 VAL MGX 7.00 (# 3456:25 Unique 5.51, 7.27 A)
&rst
ixpk= 3456, nxpk= 25, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 27 SER HN 75 VAL MGX 5.50 (# 3457:25 Unique 3.86, 5.77 A)
&rst
ixpk= 3457, nxpk= 25, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 24 VAL HN 80 ILE MG2 5.50 (# 3459:25 Unique 5.58, 6.51 A)
&rst
ixpk= 3459, nxpk= 25, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1215,1216,1217,
&end
#
# 79 PHE HN 18 ALA MB 7.00 (# 3461:25 Unique 5.92, 6.90 A)
&rst
ixpk= 3461, nxpk= 25, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 280, 281, 282,
&end
#
# 82 GLY HN 18 ALA MB 5.50 (# 3462:25 Unique 4.37, 6.22 A)
&rst
ixpk= 3462, nxpk= 25, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 280, 281, 282,
&end
#
# 29 THR HN 75 VAL MGX 5.50 (# 3463:25 Unique 5.95, 7.63 A)
&rst
ixpk= 3463, nxpk= 25, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 53 LEU HN 28 LYS HB- 7.00 (# 3464:25 Unique 5.11, 5.57 A)
&rst
ixpk= 3464, nxpk= 25, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 415, 416,
&end
#
# 79 PHE HN 25 VAL HA 5.50 (# 3465:25 Unique 3.52, 3.69 A)
&rst
ixpk= 3465, nxpk= 25, iat=1189, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 PHE HN 25 VAL MGY 5.50 (# 3466:25 Unique 4.03, 5.66 A)
&rst
ixpk= 3466, nxpk= 25, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 370, 371, 372, 374, 375, 376,
&end
#
# 79 PHE HN 24 VAL MGX 5.50 (# 3467:25 Unique 4.85, 5.78 A)
&rst
ixpk= 3467, nxpk= 25, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 354, 355, 356, 358, 359, 360,
&end
#
# 101 LEU HN 100 LEU HB+ 5.50 (# 3468:25 Unique 2.56, 3.28 A)
&rst
ixpk= 3468, nxpk= 25, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1511,1512,
&end
#
# 79 PHE HN 79 PHE HB- 5.50 (# 3469:25 Unique 2.50, 3.11 A)
&rst
ixpk= 3469, nxpk= 25, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1193,1194,
&end
#
# 34 CYS HN 34 CYS HB- 5.50 (# 3470:25 Unique 2.42, 2.93 A)
&rst
ixpk= 3470, nxpk= 25, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 510, 511,
&end
#
# 34 CYS HN 33 TYR HB- 5.50 (# 3471:25 Unique 2.72, 3.33 A)
&rst
ixpk= 3471, nxpk= 25, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 489, 490,
&end
#
# 34 CYS HN 33 TYR HB+ 5.50 (# 3472:25 Unique 2.72, 3.33 A)
&rst
ixpk= 3472, nxpk= 25, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 489, 490,
&end
#
# 33 TYR HN 33 TYR HB+ 5.50 (# 3473:25 Unique 2.35, 3.01 A)
&rst
ixpk= 3473, nxpk= 25, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 489, 490,
&end
#
# 33 TYR HN 88 CYS HB+ 5.50 (# 3474:25 Unique 5.70, 6.07 A)
&rst
ixpk= 3474, nxpk= 25, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1318,1319,
&end
#
# 73 GLY HN 72 ARG HA 4.50 (# 3478:25 Unique 2.27, 2.82 A)
&rst
ixpk= 3478, nxpk= 25, iat=1108,1086, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 ASP HN 59 GLY HA+ 5.50 (# 3479:25 Unique 3.71, 4.12 A)
&rst
ixpk= 3479, nxpk= 25, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 903, 904,
&end
#
# 24 VAL HN 79 PHE HB+ 5.50 (# 3480:25 Unique 3.00, 3.62 A)
&rst
ixpk= 3480, nxpk= 25, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1193,1194,
&end
#
# 0 AMB 25-2:3481 0 AMB 25-1:3481 5.50 (# 3481:25 Double Ambig)
&rst
ixpk= 3481, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 380,1173,
igr2=1163,1164,1163,1164,
&end
#
# 0 AMB 25-2:3482 77 ASN HB- 5.50 (# 3482:25 Single Ambig)
&rst
ixpk= 3482, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 380,1173,
igr2=1163,1164,
&end
#
# 0 AMB 25-2:3484 0 AMB 25-1:3484 5.50 (# 3484:25 Double Ambig)
&rst
ixpk= 3484, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 936, 955,
igr2= 903, 904, 903, 904,
&end
#
# 80 ILE HN 79 PHE HB+ 5.50 (# 3485:25 Unique 2.86, 3.51 A)
&rst
ixpk= 3485, nxpk= 25, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1193,1194,
&end
#
# 95 HIS HN 95 HIS HB- 3.50 (# 3486:25 Unique 2.41, 2.55 A)
&rst
ixpk= 3486, nxpk= 25, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1424,1425,
&end
#
# 95 HIS HN 95 HIS HB+ 4.50 (# 3487:25 Unique 2.41, 2.55 A)
&rst
ixpk= 3487, nxpk= 25, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1424,1425,
&end
#
# 79 PHE HZ 70 THR MG2 3.50 (# 3488:25 Unique 2.34, 2.85 A)
&rst
ixpk= 3488, nxpk= 25, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1069,1070,1071,
&end
#
# 79 PHE HZ 66 LEU MDX 4.50 (# 3489:25 Unique 2.71, 4.55 A)
&rst
ixpk= 3489, nxpk= 25, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 79 PHE HZ 18 ALA MB 5.50 (# 3490:25 Unique 4.20, 4.98 A)
&rst
ixpk= 3490, nxpk= 25, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 280, 281, 282,
&end
#
# 84 GLN HN 83 LYS HA 2.50 (# 3494:25 Unique 2.21, 2.26 A)
&rst
ixpk= 3494, nxpk= 25, iat=1264,1244, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 83 LYS QB 83 LYS HA 3.50 (# 3495:25 Unique 2.37, 2.69 A)
&rst
ixpk= 3495, nxpk= 25, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1246,1247,
&end
#
# 83 LYS QD 83 LYS HA 4.50 (# 3496:25 Unique 2.40, 4.63 A)
&rst
ixpk= 3496, nxpk= 25, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1252,1253,
&end
#
# 83 LYS QG 83 LYS HA 3.50 (# 3497:25 Unique 2.49, 3.09 A)
&rst
ixpk= 3497, nxpk= 25, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1249,1250,
&end
#
# 83 LYS HN 83 LYS HA 4.50 (# 3498:25 Unique 2.97, 2.98 A)
&rst
ixpk= 3498, nxpk= 25, iat=1242,1244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 LYS HB+ 3 SER HA 5.50 (# 3499:25 Unique 4.53, 5.57 A)
&rst
ixpk= 3499, nxpk= 25, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 46, 47,
&end
#
# 4 LYS HG+ 3 SER HA 7.00 (# 3500:25 Unique 3.90, 6.33 A)
&rst
ixpk= 3500, nxpk= 25, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 49, 50,
&end
#
# 28 LYS HD- 28 LYS HB- 5.50 (# 3501:25 Unique 2.29, 2.90 A)
&rst
ixpk= 3501, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 421, 422,
igr2= 415, 416,
&end
#
# 0 AMB 25-2:3502 18 ALA HA 4.50 (# 3502:25 Single Ambig)
&rst
ixpk= 3502, nxpk= 25, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 286,1197,1205,
&end
#
# 0 AMB 25-2:3503 18 ALA HA 5.50 (# 3503:25 Single Ambig)
&rst
ixpk= 3503, nxpk= 25, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 259, 290, 291, 212,
&end
#
# 0 AMB 25-2:3504 18 ALA MB 2.50 (# 3504:25 Single Ambig)
&rst
ixpk= 3504, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1197,1205, 286,
igr2= 280, 281, 282,
&end
#
# 19 SER HB+ 18 ALA MB 5.50 (# 3505:25 Unique 4.10, 6.05 A)
&rst
ixpk= 3505, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 290, 291,
igr2= 280, 281, 282,
&end
#
# 0 AMB 25-2:3506 20 SER HA 5.50 (# 3506:25 Single Ambig)
&rst
ixpk= 3506, nxpk= 25, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 312, 313, 314, 751, 752,
&end
#
# 17 LEU MDX 20 SER HB+ 5.50 (# 3507:25 Unique 3.73, 6.60 A)
&rst
ixpk= 3507, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 266, 267, 268, 270, 271, 272,
igr2= 301, 302,
&end
#
# 0 AMB 25-2:3508 21 ALA HA 4.50 (# 3508:25 Single Ambig)
&rst
ixpk= 3508, nxpk= 25, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 308, 332,
&end
#
# 80 ILE HA 22 PRO HA 5.50 (# 3509:25 Unique 4.68, 4.78 A)
&rst
ixpk= 3509, nxpk= 25, iat=1211, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 VAL HA 23 VAL HB 5.50 (# 3510:25 Unique 3.04, 3.04 A)
&rst
ixpk= 3510, nxpk= 25, iat= 334, 336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 VAL MGX 28 LYS QG 3.50 (# 3511:25 Unique 2.29, 4.26 A)
&rst
ixpk= 3511, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1135,1136,1137,1139,1140,1141,
igr2= 418, 419,
&end
#
# 29 THR HN 29 THR HB 5.50 (# 3512:25 Unique 3.40, 3.43 A)
&rst
ixpk= 3512, nxpk= 25, iat= 433, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 TYR HN 29 THR HB 5.50 (# 3513:25 Unique 3.37, 3.90 A)
&rst
ixpk= 3513, nxpk= 25, iat= 447, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:3514 29 THR HB 5.50 (# 3514:25 Single Ambig)
&rst
ixpk= 3514, nxpk= 25, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 802, 803, 848, 849,
&end
#
# 56 LEU HN 29 THR MG2 7.00 (# 3515:25 Unique 5.01, 6.23 A)
&rst
ixpk= 3515, nxpk= 25, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 439, 440, 441,
&end
#
# 55 GLU HN 29 THR MG2 5.50 (# 3516:25 Unique 2.88, 4.12 A)
&rst
ixpk= 3516, nxpk= 25, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 439, 440, 441,
&end
#
# 30 TYR HN 29 THR MG2 5.50 (# 3517:25 Unique 4.60, 5.28 A)
&rst
ixpk= 3517, nxpk= 25, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 439, 440, 441,
&end
#
# 76 PRO QG 33 TYR HB+ 5.50 (# 3518:25 Unique 2.72, 3.92 A)
&rst
ixpk= 3518, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1149,1150,
igr2= 489, 490,
&end
#
# 76 PRO QG 33 TYR HB- 5.50 (# 3519:25 Unique 2.72, 3.92 A)
&rst
ixpk= 3519, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1149,1150,
igr2= 489, 490,
&end
#
# 76 PRO HD- 33 TYR HB+ 5.50 (# 3520:25 Unique 2.22, 2.70 A)
&rst
ixpk= 3520, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1146,1147,
igr2= 489, 490,
&end
#
# 76 PRO HD+ 33 TYR HB+ 5.50 (# 3521:25 Unique 2.22, 2.70 A)
&rst
ixpk= 3521, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1146,1147,
igr2= 489, 490,
&end
#
# 76 PRO HD+ 33 TYR HB- 5.50 (# 3522:25 Unique 2.22, 2.70 A)
&rst
ixpk= 3522, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1146,1147,
igr2= 489, 490,
&end
#
# 0 AMB 25-2:3523 33 TYR HB- 5.50 (# 3523:25 Single Ambig)
&rst
ixpk= 3523, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 508, 480, 481,
igr2= 489, 490,
&end
#
# 0 AMB 25-2:3524 34 CYS HA 5.50 (# 3524:25 Single Ambig)
&rst
ixpk= 3524, nxpk= 25, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 404, 405, 489, 490,
&end
#
# 35 ASN HN 34 CYS HB+ 5.50 (# 3525:25 Unique 2.43, 3.09 A)
&rst
ixpk= 3525, nxpk= 25, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 510, 511,
&end
#
# 41 LEU HN 40 LEU HA 5.50 (# 3526:25 Unique 3.57, 3.58 A)
&rst
ixpk= 3526, nxpk= 25, iat= 629, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 GLN HN 40 LEU MDX 5.50 (# 3527:25 Unique 5.25, 7.06 A)
&rst
ixpk= 3527, nxpk= 25, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 41 LEU HN 40 LEU MDY 5.50 (# 3528:25 Unique 3.19, 5.37 A)
&rst
ixpk= 3528, nxpk= 25, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 92 VAL MGY 40 LEU MDY 5.50 (# 3529:25 Unique 2.30, 5.01 A)
&rst
ixpk= 3529, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1373,1374,1375,1377,1378,1379,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 25-2:3530 41 LEU HA 5.50 (# 3530:25 Single Ambig)
&rst
ixpk= 3530, nxpk= 25, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 731, 740, 733, 738,
&end
#
# 41 LEU MDX 41 LEU HB+ 5.50 (# 3531:25 Unique 2.31, 3.33 A)
&rst
ixpk= 3531, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 633, 634,
&end
#
# 43 GLN HN 41 LEU MDX 5.50 (# 3532:25 Unique 5.86, 7.53 A)
&rst
ixpk= 3532, nxpk= 25, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 23 VAL HB 41 LEU MDY 5.50 (# 3533:25 Unique 3.54, 5.20 A)
&rst
ixpk= 3533, nxpk= 25, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 25-2:3534 41 LEU MDY 5.50 (# 3534:25 Single Ambig)
&rst
ixpk= 3534, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 704, 366,
igr2= 638, 639, 640, 642, 643, 644,
&end
#
# 43 GLN QB 44 VAL MGX 4.50 (# 3535:25 Unique 3.00, 5.49 A)
&rst
ixpk= 3535, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 666, 667,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 46 ALA HN 44 VAL MGY 5.50 (# 3536:25 Unique 2.30, 4.66 A)
&rst
ixpk= 3536, nxpk= 25, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 41 LEU HG 44 VAL MGY 4.50 (# 3537:25 Unique 4.46, 6.45 A)
&rst
ixpk= 3537, nxpk= 25, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 685, 686, 687, 689, 690, 691,
&end
#
# 104 LEU MDX 46 ALA HA 4.50 (# 3538:25 Unique 3.51, 5.14 A)
&rst
ixpk= 3538, nxpk= 25, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1587,1588,1589,1591,1592,1593,
&end
#
# 109 ALA MB 46 ALA HA 5.50 (# 3539:25 Unique 3.30, 4.27 A)
&rst
ixpk= 3539, nxpk= 25, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1650,1651,1652,
&end
#
# 46 ALA HN 46 ALA HA 4.50 (# 3540:25 Unique 2.88, 2.91 A)
&rst
ixpk= 3540, nxpk= 25, iat= 702, 704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 LEU HA 46 ALA MB 3.50 (# 3541:25 Unique 2.91, 3.85 A)
&rst
ixpk= 3541, nxpk= 25, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 706, 707, 708,
&end
#
# 0 AMB 25-2:3542 46 ALA MB 5.50 (# 3542:25 Single Ambig)
&rst
ixpk= 3542, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 727, 728, 683,
igr2= 706, 707, 708,
&end
#
# 0 AMB 25-2:3543 46 ALA MB 4.50 (# 3543:25 Single Ambig)
&rst
ixpk= 3543, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 336, 322, 323,
igr2= 706, 707, 708,
&end
#
# 0 AMB 25-2:3544 47 SER HA 5.50 (# 3544:25 Single Ambig)
&rst
ixpk= 3544, nxpk= 25, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 731, 740, 733, 738,
&end
#
# 0 AMB 25-2:3545 47 SER HA 5.50 (# 3545:25 Single Ambig)
&rst
ixpk= 3545, nxpk= 25, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 706, 707, 708, 312, 313, 314,
&end
#
# 48 TYR HN 47 SER HB+ 4.50 (# 3546:25 Unique 3.09, 3.89 A)
&rst
ixpk= 3546, nxpk= 25, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 716, 717,
&end
#
# 47 SER HA 47 SER HB- 2.50 (# 3547:25 Unique 2.39, 2.74 A)
&rst
ixpk= 3547, nxpk= 25, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 716, 717,
&end
#
# 47 SER HA 47 SER HB+ 3.50 (# 3548:25 Unique 2.39, 2.74 A)
&rst
ixpk= 3548, nxpk= 25, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 716, 717,
&end
#
# 109 ALA MB 47 SER HB- 5.50 (# 3549:25 Unique 3.55, 5.53 A)
&rst
ixpk= 3549, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1650,1651,1652,
igr2= 716, 717,
&end
#
# 49 LYS HN 48 TYR HB- 5.50 (# 3550:25 Unique 2.33, 3.12 A)
&rst
ixpk= 3550, nxpk= 25, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 727, 728,
&end
#
# 50 VAL HB 49 LYS HA 5.50 (# 3551:25 Unique 4.54, 4.59 A)
&rst
ixpk= 3551, nxpk= 25, iat= 770, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS QD 49 LYS HA 4.50 (# 3552:25 Unique 3.82, 4.50 A)
&rst
ixpk= 3552, nxpk= 25, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 754, 755,
&end
#
# 49 LYS HB+ 49 LYS HA 4.50 (# 3553:25 Unique 2.43, 2.76 A)
&rst
ixpk= 3553, nxpk= 25, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 748, 749,
&end
#
# 28 LYS HD- 54 ASP HB- 5.50 (# 3554:25 Unique 2.35, 4.48 A)
&rst
ixpk= 3554, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 421, 422,
igr2= 836, 837,
&end
#
# 56 LEU HN 55 GLU HB+ 5.50 (# 3556:25 Unique 2.93, 3.85 A)
&rst
ixpk= 3556, nxpk= 25, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 848, 849,
&end
#
# 56 LEU HN 55 GLU HB- 5.50 (# 3557:25 Unique 2.93, 3.85 A)
&rst
ixpk= 3557, nxpk= 25, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 848, 849,
&end
#
# 59 GLY HN 56 LEU HB- 5.50 (# 3558:25 Unique 2.69, 3.88 A)
&rst
ixpk= 3558, nxpk= 25, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 863, 864,
&end
#
# 56 LEU HG 56 LEU HB- 4.50 (# 3559:25 Unique 2.29, 2.75 A)
&rst
ixpk= 3559, nxpk= 25, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 863, 864,
&end
#
# 56 LEU HG 56 LEU HB+ 4.50 (# 3561:25 Unique 2.29, 2.75 A)
&rst
ixpk= 3561, nxpk= 25, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 863, 864,
&end
#
# 0 AMB 25-2:3562 56 LEU MDY 4.50 (# 3562:25 Single Ambig)
&rst
ixpk= 3562, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 820, 848, 849,
igr2= 868, 869, 870, 872, 873, 874,
&end
#
# 57 SER HN 57 SER QB 5.50 (# 3563:25 Unique 2.63, 3.08 A)
&rst
ixpk= 3563, nxpk= 25, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 882, 883,
&end
#
# 59 GLY HN 58 ASP HA 4.50 (# 3564:25 Unique 2.84, 2.95 A)
&rst
ixpk= 3564, nxpk= 25, iat= 901, 891, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 ASP HN 58 ASP HA 4.50 (# 3565:25 Unique 2.96, 2.97 A)
&rst
ixpk= 3565, nxpk= 25, iat= 889, 891, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-2:3566 0 AMB 25-1:3566 4.50 (# 3566:25 Double Ambig)
&rst
ixpk= 3566, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 868, 869, 870, 872, 873, 874, 822, 823, 824, 826,
827, 828,
igr2= 903, 904, 903, 904,
&end
#
# 56 LEU HB- 59 GLY HA+ 5.50 (# 3567:25 Unique 2.26, 3.49 A)
&rst
ixpk= 3567, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 863, 864,
igr2= 903, 904,
&end
#
# 56 LEU HN 59 GLY HA+ 5.50 (# 3568:25 Unique 3.53, 4.20 A)
&rst
ixpk= 3568, nxpk= 25, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 903, 904,
&end
#
# 26 PHE HZ 62 LEU HG 7.00 (# 3569:25 Unique 6.25, 6.75 A)
&rst
ixpk= 3569, nxpk= 25, iat= 392, 943, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 26 PHE HD 62 LEU HG 5.50 (# 3570:25 Unique 4.33, 6.83 A)
&rst
ixpk= 3570, nxpk= 25, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 388, 396,
&end
#
# 0 AMB 25-2:3571 63 GLN HA 5.50 (# 3571:25 Single Ambig)
&rst
ixpk= 3571, nxpk= 25, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1012, 983,
&end
#
# 63 GLN HE2+ 63 GLN HA 5.50 (# 3572:25 Unique 2.40, 4.23 A)
&rst
ixpk= 3572, nxpk= 25, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 967, 968,
&end
#
# 66 LEU HB+ 63 GLN HA 4.50 (# 3573:25 Unique 2.09, 3.22 A)
&rst
ixpk= 3573, nxpk= 25, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 997, 998,
&end
#
# 66 LEU MDX 63 GLN HA 5.50 (# 3574:25 Unique 3.16, 5.33 A)
&rst
ixpk= 3574, nxpk= 25, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 53 LEU MDX 63 GLN HA 5.50 (# 3575:25 Unique 2.44, 4.28 A)
&rst
ixpk= 3575, nxpk= 25, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 11 LEU MDX 65 ALA HA 4.50 (# 3576:25 Unique 4.12, 6.50 A)
&rst
ixpk= 3576, nxpk= 25, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 66 LEU HB- 66 LEU MDX 3.50 (# 3578:25 Unique 2.28, 3.55 A)
&rst
ixpk= 3578, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 997, 998,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 26 PHE HA 66 LEU MDY 5.50 (# 3579:25 Unique 5.58, 6.81 A)
&rst
ixpk= 3579, nxpk= 25, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 79 PHE HZ 66 LEU MDY 5.50 (# 3580:25 Unique 2.71, 4.55 A)
&rst
ixpk= 3580, nxpk= 25, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 69 TRP HZ3 66 LEU MDY 5.50 (# 3581:25 Unique 3.02, 4.29 A)
&rst
ixpk= 3581, nxpk= 25, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 25-2:3582 66 LEU MDY 5.50 (# 3582:25 Single Ambig)
&rst
ixpk= 3582, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1199,1203, 967, 968,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 64 SER HN 66 LEU MDY 5.50 (# 3583:25 Unique 5.79, 7.87 A)
&rst
ixpk= 3583, nxpk= 25, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 26 PHE HN 66 LEU MDY 5.50 (# 3584:25 Unique 5.00, 6.69 A)
&rst
ixpk= 3584, nxpk= 25, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1002,1003,1004,1006,1007,1008,
&end
#
# 69 TRP HE3 69 TRP HB- 5.50 (# 3585:25 Unique 2.47, 2.97 A)
&rst
ixpk= 3585, nxpk= 25, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1043,1044,
&end
#
# 69 TRP HN 69 TRP HB- 4.50 (# 3586:25 Unique 2.23, 2.40 A)
&rst
ixpk= 3586, nxpk= 25, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1043,1044,
&end
#
# 0 AMB 25-2:3587 0 AMB 25-1:3587 5.50 (# 3587:25 Double Ambig)
&rst
ixpk= 3587, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 987, 988, 989,1402,1403, 214, 215, 216,
igr2=1043,1044,1424,1425,1043,1044,
&end
#
# 0 AMB 25-2:3588 69 TRP HB- 5.50 (# 3588:25 Single Ambig)
&rst
ixpk= 3588, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 987, 988, 989, 214, 215, 216,
igr2=1043,1044,
&end
#
# 84 GLN HE2- 70 THR HA 5.50 (# 3589:25 Unique 3.46, 5.65 A)
&rst
ixpk= 3589, nxpk= 25, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1276,1277,
&end
#
# 0 AMB 25-2:3590 70 THR HA 5.50 (# 3590:25 Single Ambig)
&rst
ixpk= 3590, nxpk= 25, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1276,1277,1047,
&end
#
# 69 TRP HB+ 70 THR HA 5.50 (# 3591:25 Unique 4.29, 5.08 A)
&rst
ixpk= 3591, nxpk= 25, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1043,1044,
&end
#
# 84 GLN HG+ 70 THR HB 5.50 (# 3592:25 Unique 2.20, 3.54 A)
&rst
ixpk= 3592, nxpk= 25, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1271,1272,
&end
#
# 84 GLN HG- 70 THR HB 5.50 (# 3593:25 Unique 2.20, 3.54 A)
&rst
ixpk= 3593, nxpk= 25, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1271,1272,
&end
#
# 0 AMB 25-2:3594 70 THR MG2 5.50 (# 3594:25 Single Ambig)
&rst
ixpk= 3594, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1054,1035,
igr2=1069,1070,1071,
&end
#
# 66 LEU HB+ 70 THR MG2 5.50 (# 3596:25 Unique 3.90, 5.56 A)
&rst
ixpk= 3596, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 997, 998,
igr2=1069,1070,1071,
&end
#
# 0 AMB 25-2:3597 72 ARG HA 4.50 (# 3597:25 Single Ambig)
&rst
ixpk= 3597, nxpk= 25, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1084,1168,1169,
&end
#
# 73 GLY HA+ 72 ARG HA 5.50 (# 3598:25 Unique 4.46, 4.74 A)
&rst
ixpk= 3598, nxpk= 25, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1110,1111,
&end
#
# 77 ASN HD2- 72 ARG HB- 5.50 (# 3599:25 Unique 2.34, 3.90 A)
&rst
ixpk= 3599, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1168,1169,
igr2=1088,1089,
&end
#
# 77 ASN HD2- 72 ARG HB+ 5.50 (# 3600:25 Unique 2.34, 3.90 A)
&rst
ixpk= 3600, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1168,1169,
igr2=1088,1089,
&end
#
# 72 ARG HA 72 ARG HB+ 4.50 (# 3601:25 Unique 2.35, 2.73 A)
&rst
ixpk= 3601, nxpk= 25, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1088,1089,
&end
#
# 72 ARG HA 72 ARG HB- 4.50 (# 3602:25 Unique 2.35, 2.73 A)
&rst
ixpk= 3602, nxpk= 25, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1088,1089,
&end
#
# 72 ARG HD+ 72 ARG HB+ 5.50 (# 3603:25 Unique 2.20, 3.04 A)
&rst
ixpk= 3603, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1094,1095,
igr2=1088,1089,
&end
#
# 72 ARG HD+ 72 ARG HB- 5.50 (# 3604:25 Unique 2.20, 3.04 A)
&rst
ixpk= 3604, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1094,1095,
igr2=1088,1089,
&end
#
# 77 ASN HD2+ 72 ARG HD+ 5.50 (# 3605:25 Unique 3.23, 4.70 A)
&rst
ixpk= 3605, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1168,1169,
igr2=1094,1095,
&end
#
# 72 ARG HE 72 ARG HD+ 5.50 (# 3606:25 Unique 2.29, 2.69 A)
&rst
ixpk= 3606, nxpk= 25, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1094,1095,
&end
#
# 74 THR HN 72 ARG HD- 5.50 (# 3607:25 Unique 2.94, 4.98 A)
&rst
ixpk= 3607, nxpk= 25, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1094,1095,
&end
#
# 84 GLN HE2- 72 ARG HD- 5.50 (# 3608:25 Unique 2.39, 4.48 A)
&rst
ixpk= 3608, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1276,1277,
igr2=1094,1095,
&end
#
# 0 AMB 25-2:3609 0 AMB 25-1:3609 5.50 (# 3609:25 Double Ambig)
&rst
ixpk= 3609, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1309,1310,1302,1303,
igr2=1094,1095,1094,1095,
&end
#
# 86 GLY HA- 72 ARG HD- 5.50 (# 3610:25 Unique 3.16, 4.94 A)
&rst
ixpk= 3610, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1302,1303,
igr2=1094,1095,
&end
#
# 73 GLY HN 73 GLY HA+ 5.50 (# 3611:25 Unique 2.26, 2.59 A)
&rst
ixpk= 3611, nxpk= 25, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1110,1111,
&end
#
# 0 AMB 25-2:3612 75 VAL HA 5.50 (# 3612:25 Single Ambig)
&rst
ixpk= 3612, nxpk= 25, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1152,1153,1149,1150,
&end
#
# 63 GLN HE2+ 75 VAL MGX 5.50 (# 3613:25 Unique 2.78, 5.57 A)
&rst
ixpk= 3613, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 967, 968,
igr2=1135,1136,1137,1139,1140,1141,
&end
#
# 75 VAL HB 76 PRO HB+ 5.50 (# 3614:25 Unique 3.73, 4.54 A)
&rst
ixpk= 3614, nxpk= 25, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1152,1153,
&end
#
# 75 VAL HB 76 PRO HB- 5.50 (# 3615:25 Unique 3.73, 4.54 A)
&rst
ixpk= 3615, nxpk= 25, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1152,1153,
&end
#
# 0 AMB 25-2:3616 0 AMB 25-1:3616 5.50 (# 3616:25 Double Ambig)
&rst
ixpk= 3616, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 510, 511,1146,1147,1309,1310,
igr2=1152,1153,1152,1153,1152,1153,
&end
#
# 77 ASN HN 76 PRO HB+ 5.50 (# 3617:25 Unique 2.66, 3.20 A)
&rst
ixpk= 3617, nxpk= 25, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1152,1153,
&end
#
# 33 TYR HB- 76 PRO HD- 5.50 (# 3618:25 Unique 2.22, 2.70 A)
&rst
ixpk= 3618, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 489, 490,
igr2=1146,1147,
&end
#
# 0 AMB 25-2:3619 76 PRO HD- 5.50 (# 3619:25 Single Ambig)
&rst
ixpk= 3619, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1152,1153, 473, 472,
igr2=1146,1147,
&end
#
# 88 CYS HB- 76 PRO HD- 5.50 (# 3620:25 Unique 2.41, 3.98 A)
&rst
ixpk= 3620, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1318,1319,
igr2=1146,1147,
&end
#
# 37 VAL MGY 76 PRO HD+ 5.50 (# 3621:25 Unique 4.39, 6.20 A)
&rst
ixpk= 3621, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 561, 562, 563, 565, 566, 567,
igr2=1146,1147,
&end
#
# 78 VAL HN 77 ASN HA 3.50 (# 3622:25 Unique 2.17, 2.22 A)
&rst
ixpk= 3622, nxpk= 25, iat=1173,1161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 PHE HD 77 ASN HB+ 5.50 (# 3623:25 Unique 2.69, 5.23 A)
&rst
ixpk= 3623, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 388, 396,
igr2=1163,1164,
&end
#
# 77 ASN HD2- 77 ASN HB+ 5.50 (# 3624:25 Unique 2.18, 3.19 A)
&rst
ixpk= 3624, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1168,1169,
igr2=1163,1164,
&end
#
# 79 PHE HB+ 79 PHE HA 5.50 (# 3626:25 Unique 2.54, 2.81 A)
&rst
ixpk= 3626, nxpk= 25, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1193,1194,
&end
#
# 80 ILE HA 80 ILE HG1+ 5.50 (# 3627:25 Unique 2.47, 2.83 A)
&rst
ixpk= 3627, nxpk= 25, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1219,1220,
&end
#
# 103 LEU HN 80 ILE MG2 7.00 (# 3628:25 Unique 5.61, 6.99 A)
&rst
ixpk= 3628, nxpk= 25, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1215,1216,1217,
&end
#
# 0 AMB 25-2:3629 80 ILE MG2 4.50 (# 3629:25 Single Ambig)
&rst
ixpk= 3629, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1628, 328,
igr2=1215,1216,1217,
&end
#
# 0 AMB 25-2:3630 80 ILE MG2 5.50 (# 3630:25 Single Ambig)
&rst
ixpk= 3630, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1618,1619,1411,1412,
igr2=1215,1216,1217,
&end
#
# 104 LEU MDY 80 ILE MG2 4.50 (# 3631:25 Unique 2.49, 5.59 A)
&rst
ixpk= 3631, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1587,1588,1589,1591,1592,1593,
igr2=1215,1216,1217,
&end
#
# 0 AMB 25-2:3632 80 ILE MD1 5.50 (# 3632:25 Single Ambig)
&rst
ixpk= 3632, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1411,1412,1411,1412,
igr2=1222,1223,1224,
&end
#
# 0 AMB 25-2:3633 80 ILE MD1 5.50 (# 3633:25 Single Ambig)
&rst
ixpk= 3633, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1353,1193,1194,
igr2=1222,1223,1224,
&end
#
# 0 AMB 25-2:3634 81 GLY HA- 5.50 (# 3634:25 Single Ambig)
&rst
ixpk= 3634, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1211, 334,
igr2=1230,1231,
&end
#
# 84 GLN HG- 84 GLN HA 4.50 (# 3635:25 Unique 2.29, 3.01 A)
&rst
ixpk= 3635, nxpk= 25, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1271,1272,
&end
#
# 79 PHE HE 84 GLN HB- 5.50 (# 3636:25 Unique 2.72, 4.46 A)
&rst
ixpk= 3636, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1199,1203,
igr2=1268,1269,
&end
#
# 79 PHE HE 84 GLN HB+ 5.50 (# 3637:25 Unique 2.72, 4.46 A)
&rst
ixpk= 3637, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1199,1203,
igr2=1268,1269,
&end
#
# 79 PHE HZ 84 GLN HB- 5.50 (# 3638:25 Unique 2.98, 4.11 A)
&rst
ixpk= 3638, nxpk= 25, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1268,1269,
&end
#
# 83 LYS HA 84 GLN HB- 5.50 (# 3639:25 Unique 4.22, 4.66 A)
&rst
ixpk= 3639, nxpk= 25, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1268,1269,
&end
#
# 70 THR HB 84 GLN HG+ 5.50 (# 3640:25 Unique 2.20, 3.54 A)
&rst
ixpk= 3640, nxpk= 25, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1271,1272,
&end
#
# 0 AMB 25-2:3641 0 AMB 25-1:3641 5.50 (# 3641:25 Double Ambig)
&rst
ixpk= 3641, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1067,1599,
igr2=1271,1272,1684,1685,
&end
#
# 79 PHE HE 84 GLN HG+ 5.50 (# 3642:25 Unique 2.86, 4.20 A)
&rst
ixpk= 3642, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1199,1203,
igr2=1271,1272,
&end
#
# 0 AMB 25-2:3643 85 ILE HB 5.50 (# 3643:25 Single Ambig)
&rst
ixpk= 3643, nxpk= 25, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1266,1411,1412,
&end
#
# 0 AMB 25-2:3644 85 ILE HG1- 5.50 (# 3644:25 Single Ambig)
&rst
ixpk= 3644, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1300,1276,1277,
igr2=1291,1292,
&end
#
# 79 PHE HA 85 ILE HG1+ 5.50 (# 3645:25 Unique 2.33, 3.29 A)
&rst
ixpk= 3645, nxpk= 25, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1291,1292,
&end
#
# 83 LYS HA 85 ILE MD1 5.50 (# 3647:25 Unique 5.15, 6.12 A)
&rst
ixpk= 3647, nxpk= 25, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1294,1295,1296,
&end
#
# 79 PHE HB+ 85 ILE MD1 5.50 (# 3648:25 Unique 4.69, 6.96 A)
&rst
ixpk= 3648, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1193,1194,
igr2=1294,1295,1296,
&end
#
# 83 LYS QE 85 ILE MD1 5.50 (# 3649:25 Unique 2.49, 5.70 A)
&rst
ixpk= 3649, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1255,1256,
igr2=1294,1295,1296,
&end
#
# 86 GLY HA- 85 ILE MD1 5.50 (# 3650:25 Unique 6.80, 7.48 A)
&rst
ixpk= 3650, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1302,1303,
igr2=1294,1295,1296,
&end
#
# 83 LYS QG 85 ILE MD1 3.50 (# 3651:25 Unique 2.53, 4.65 A)
&rst
ixpk= 3651, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1249,1250,
igr2=1294,1295,1296,
&end
#
# 90 THR MG2 86 GLY HA+ 4.50 (# 3652:25 Unique 2.26, 4.09 A)
&rst
ixpk= 3652, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1343,1344,1345,
igr2=1302,1303,
&end
#
# 85 ILE MG2 86 GLY HA+ 5.50 (# 3653:25 Unique 3.49, 5.21 A)
&rst
ixpk= 3653, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1287,1288,1289,
igr2=1302,1303,
&end
#
# 85 ILE MG2 86 GLY HA- 5.50 (# 3654:25 Unique 3.49, 5.21 A)
&rst
ixpk= 3654, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1287,1288,1289,
igr2=1302,1303,
&end
#
# 88 CYS HN 87 GLY HA+ 4.50 (# 3655:25 Unique 2.34, 2.58 A)
&rst
ixpk= 3655, nxpk= 25, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1309,1310,
&end
#
# 87 GLY HN 87 GLY HA+ 4.50 (# 3656:25 Unique 2.41, 2.76 A)
&rst
ixpk= 3656, nxpk= 25, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1309,1310,
&end
#
# 0 AMB 25-2:3658 87 GLY HA- 5.50 (# 3658:25 Single Ambig)
&rst
ixpk= 3658, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1152,1153,1149,1150,
igr2=1309,1310,
&end
#
# 0 AMB 25-2:3659 0 AMB 25-1:3659 5.50 (# 3659:25 Double Ambig)
&rst
ixpk= 3659, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
igr1= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
1362,1363,1357,1358,1359,1361,1362,1363,
igr2=1309,1310,1309,1310,1309,1310,
&end
#
# 0 AMB 25-2:3660 87 GLY HA- 5.50 (# 3660:25 Single Ambig)
&rst
ixpk= 3660, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
1362,1363,1357,1358,1359,1361,1362,1363,
igr2=1309,1310,
&end
#
# 89 ASP HN 88 CYS HB- 5.50 (# 3661:25 Unique 2.46, 3.48 A)
&rst
ixpk= 3661, nxpk= 25, iat=1325, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1318,1319,
&end
#
# 33 TYR HD 88 CYS HB+ 5.50 (# 3662:25 Unique 2.27, 4.66 A)
&rst
ixpk= 3662, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 493, 502,
igr2=1318,1319,
&end
#
# 33 TYR HD 88 CYS HB- 5.50 (# 3663:25 Unique 2.27, 4.66 A)
&rst
ixpk= 3663, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 493, 502,
igr2=1318,1319,
&end
#
# 76 PRO HD- 88 CYS HB+ 5.50 (# 3664:25 Unique 2.41, 3.98 A)
&rst
ixpk= 3664, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1146,1147,
igr2=1318,1319,
&end
#
# 76 PRO HD- 88 CYS HB- 5.50 (# 3665:25 Unique 2.41, 3.98 A)
&rst
ixpk= 3665, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1146,1147,
igr2=1318,1319,
&end
#
# 33 TYR HB- 88 CYS HB+ 5.50 (# 3666:25 Unique 2.30, 3.59 A)
&rst
ixpk= 3666, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 489, 490,
igr2=1318,1319,
&end
#
# 37 VAL MGX 88 CYS HB- 5.50 (# 3667:25 Unique 2.37, 5.03 A)
&rst
ixpk= 3667, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 561, 562, 563, 565, 566, 567,
igr2=1318,1319,
&end
#
# 0 AMB 25-2:3668 100 LEU HA 5.50 (# 3668:25 Single Ambig)
&rst
ixpk= 3668, nxpk= 25, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1546,1547,1353,
&end
#
# 101 LEU HN 100 LEU HA 5.50 (# 3669:25 Unique 3.58, 3.60 A)
&rst
ixpk= 3669, nxpk= 25, iat=1526,1509, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 LYS QG 90 THR HA 5.50 (# 3670:25 Unique 3.76, 4.76 A)
&rst
ixpk= 3670, nxpk= 25, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1405,1406,
&end
#
# 0 AMB 25-2:3671 90 THR HB 5.50 (# 3671:25 Single Ambig)
&rst
ixpk= 3671, nxpk= 25, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1367,1398,1383,
&end
#
# 86 GLY HA+ 90 THR HB 5.50 (# 3672:25 Unique 2.55, 3.56 A)
&rst
ixpk= 3672, nxpk= 25, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1302,1303,
&end
#
# 91 VAL HA 90 THR HB 5.50 (# 3673:25 Unique 3.99, 4.06 A)
&rst
ixpk= 3673, nxpk= 25, iat=1353,1341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-2:3674 90 THR HB 5.50 (# 3674:25 Single Ambig)
&rst
ixpk= 3674, nxpk= 25, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1355,1387,1388,
&end
#
# 86 GLY HA+ 90 THR MG2 4.50 (# 3675:25 Unique 2.26, 4.09 A)
&rst
ixpk= 3675, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1302,1303,
igr2=1343,1344,1345,
&end
#
# 94 LYS HA 91 VAL HA 5.50 (# 3677:25 Unique 5.19, 5.29 A)
&rst
ixpk= 3677, nxpk= 25, iat=1400,1353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 PRO HB+ 37 VAL HB 5.50 (# 3678:25 Unique 3.52, 3.85 A)
&rst
ixpk= 3678, nxpk= 25, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1152,1153,
&end
#
# 40 LEU MDY 92 VAL HA 5.50 (# 3679:25 Unique 2.26, 3.40 A)
&rst
ixpk= 3679, nxpk= 25, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 93 GLU HA 92 VAL MGX 4.50 (# 3680:25 Unique 3.45, 5.66 A)
&rst
ixpk= 3680, nxpk= 25, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1373,1374,1375,1377,1378,1379,
&end
#
# 95 HIS HD2 95 HIS HB- 5.50 (# 3684:25 Unique 2.57, 3.11 A)
&rst
ixpk= 3684, nxpk= 25, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1424,1425,
&end
#
# 95 HIS HD2 95 HIS HB+ 5.50 (# 3685:25 Unique 2.57, 3.11 A)
&rst
ixpk= 3685, nxpk= 25, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1424,1425,
&end
#
# 40 LEU HG 95 HIS HB+ 5.50 (# 3686:25 Unique 3.27, 3.86 A)
&rst
ixpk= 3686, nxpk= 25, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1424,1425,
&end
#
# 0 AMB 25-2:3687 0 AMB 25-1:3687 5.50 (# 3687:25 Double Ambig)
&rst
ixpk= 3687, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 901,1578,
igr2= 866,1566,
&end
#
# 56 LEU HN 56 LEU HG 5.50 (# 3688:25 Unique 2.35, 4.37 A)
&rst
ixpk= 3688, nxpk= 25, iat= 859, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ASP HN 117 LEU MDX 5.50 (# 3689:25 Unique 3.03, 6.18 A)
&rst
ixpk= 3689, nxpk= 25, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1766,1767,1768,1770,1771,1772,
&end
#
# 0 AMB 25-2:3690 106 ASP HA 7.00 (# 3690:25 Single Ambig)
&rst
ixpk= 3690, nxpk= 25, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1604,1605,1552,1553,
&end
#
# 116 GLN HA 106 ASP HB+ 5.50 (# 3691:25 Unique 2.72, 7.43 A)
&rst
ixpk= 3691, nxpk= 25, iat=1742, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1618,1619,
&end
#
# 0 AMB 25-2:3692 0 AMB 25-1:3692 4.50 (# 3692:25 Double Ambig)
&rst
ixpk= 3692, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1630,1631,1632,1563,1564,
igr2=1618,1619,1618,1619,
&end
#
# 106 ASP HB- 107 ALA HA 5.50 (# 3693:25 Unique 4.36, 5.23 A)
&rst
ixpk= 3693, nxpk= 25, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1618,1619,
&end
#
# 81 GLY HA- 107 ALA MB 4.50 (# 3694:25 Unique 2.60, 3.90 A)
&rst
ixpk= 3694, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1230,1231,
igr2=1630,1631,1632,
&end
#
# 0 AMB 25-2:3697 108 ALA HA 5.50 (# 3697:25 Single Ambig)
&rst
ixpk= 3697, nxpk= 25, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1601,1602,1582,1583, 322, 323,
&end
#
# 46 ALA HA 110 THR MG2 3.50 (# 3698:25 Unique 2.29, 3.16 A)
&rst
ixpk= 3698, nxpk= 25, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1662,1663,1664,
&end
#
# 111 ALA HN 110 THR MG2 4.50 (# 3699:25 Unique 3.32, 4.86 A)
&rst
ixpk= 3699, nxpk= 25, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1662,1663,1664,
&end
#
# 112 LYS HN 111 ALA MB 4.50 (# 3700:25 Unique 3.63, 4.41 A)
&rst
ixpk= 3700, nxpk= 25, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1674,1675,1676,
&end
#
# 113 ASN HB+ 113 ASN HA 4.50 (# 3701:25 Unique 2.30, 2.71 A)
&rst
ixpk= 3701, nxpk= 25, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1706,1707,
&end
#
# 113 ASN HB- 113 ASN HA 4.50 (# 3702:25 Unique 2.30, 2.71 A)
&rst
ixpk= 3702, nxpk= 25, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1706,1707,
&end
#
# 114 PRO HD+ 113 ASN HA 3.50 (# 3703:25 Unique 2.11, 2.54 A)
&rst
ixpk= 3703, nxpk= 25, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1717,1718,
&end
#
# 113 ASN HA 114 PRO QG 5.50 (# 3704:25 Unique 4.28, 4.64 A)
&rst
ixpk= 3704, nxpk= 25, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1720,1721,
&end
#
# 117 LEU HN 117 LEU HA 5.50 (# 3705:25 Unique 2.76, 2.87 A)
&rst
ixpk= 3705, nxpk= 25, iat=1757,1759, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 ALA MB 6 GLU HG- 5.50 (# 3706:25 Unique 3.62, 5.70 A)
&rst
ixpk= 3706, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 131, 132, 133,
igr2= 88, 89,
&end
#
# 48 TYR HE 38 LYS HG+ 5.50 (# 3707:25 Unique 2.25, 4.88 A)
&rst
ixpk= 3707, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 733, 738,
igr2= 578, 579,
&end
#
# 48 TYR HE 38 LYS HG- 5.50 (# 3708:25 Unique 2.25, 4.88 A)
&rst
ixpk= 3708, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 733, 738,
igr2= 578, 579,
&end
#
# 38 LYS HA 38 LYS HG+ 5.50 (# 3709:25 Unique 2.43, 2.76 A)
&rst
ixpk= 3709, nxpk= 25, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 578, 579,
&end
#
# 38 LYS HA 38 LYS HG- 5.50 (# 3710:25 Unique 2.43, 2.76 A)
&rst
ixpk= 3710, nxpk= 25, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 578, 579,
&end
#
# 0 AMB 25-2:3711 38 LYS HG- 5.50 (# 3711:25 Single Ambig)
&rst
ixpk= 3711, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 584, 585, 584, 585,
igr2= 578, 579,
&end
#
# 0 AMB 25-2:3712 0 AMB 25-1:3712 5.50 (# 3712:25 Double Ambig)
&rst
ixpk= 3712, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 584, 585, 584, 585,
igr2= 578, 579, 578, 579,
&end
#
# 0 AMB 25-2:3713 38 LYS HG- 5.50 (# 3713:25 Single Ambig)
&rst
ixpk= 3713, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 575, 576, 559,
igr2= 578, 579,
&end
#
# 0 AMB 25-2:3714 0 AMB 25-1:3714 5.50 (# 3714:25 Double Ambig)
&rst
ixpk= 3714, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 575, 576, 559,
igr2= 578, 579, 578, 579,
&end
#
# 95 HIS HD2 95 HIS HE1 5.50 (# 0:26 Unique 4.26, 4.26 A)
&rst
ixpk= 0, nxpk= 26, iat=1433,1430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 26-2:1 95 HIS HE1 4.50 (# 1:26 Single Ambig)
&rst
ixpk= 1, nxpk= 26, iat= -1,1430, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1533,1530,1531,
&end
#
# 44 VAL HB 95 HIS HE1 5.50 (# 3:26 Unique 2.55, 4.43 A)
&rst
ixpk= 3, nxpk= 26, iat= 683,1430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LEU MDY 95 HIS HE1 4.50 (# 4:26 Unique 2.80, 5.78 A)
&rst
ixpk= 4, nxpk= 26, iat= -1,1430, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1535,1536,1537,1539,1540,1541,
&end
#
# 44 VAL MGY 95 HIS HE1 2.50 (# 5:26 Unique 2.43, 4.25 A)
&rst
ixpk= 5, nxpk= 26, iat= -1,1430, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 685, 686, 687, 689, 690, 691,
&end
#
# 40 LEU MDX 95 HIS HE1 5.50 (# 6:26 Unique 4.85, 6.56 A)
&rst
ixpk= 6, nxpk= 26, iat= -1,1430, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 26-2:8 68 HIS HE1 4.50 (# 8:26 Single Ambig)
&rst
ixpk= 8, nxpk= 26, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 105, 106, 107, 109, 110, 111, 105, 106, 107, 109,
110, 111,
&end
#
# 50 VAL MGX 48 TYR HD 2.50 (# 9:26 Unique 2.39, 6.27 A)
&rst
ixpk= 9, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 772, 773, 774, 776, 777, 778,
igr2= 731, 740,
&end
#
# 48 TYR HB- 48 TYR HD 3.50 (# 10:26 Unique 2.35, 3.08 A)
&rst
ixpk= 10, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 727, 728,
igr2= 731, 740,
&end
#
# 30 TYR HN 30 TYR HD 4.50 (# 11:26 Unique 2.36, 3.47 A)
&rst
ixpk= 11, nxpk= 26, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 455, 464,
&end
#
# 48 TYR HN 48 TYR HD 4.50 (# 12:26 Unique 2.17, 3.82 A)
&rst
ixpk= 12, nxpk= 26, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 731, 740,
&end
#
# 48 TYR HB+ 48 TYR HD 3.50 (# 13:26 Unique 2.35, 3.08 A)
&rst
ixpk= 13, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 727, 728,
igr2= 731, 740,
&end
#
# 46 ALA MB 48 TYR HD 3.50 (# 14:26 Unique 2.45, 5.67 A)
&rst
ixpk= 14, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 706, 707, 708,
igr2= 731, 740,
&end
#
# 41 LEU HB- 48 TYR HD 3.50 (# 15:26 Unique 2.22, 4.15 A)
&rst
ixpk= 15, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 633, 634,
igr2= 731, 740,
&end
#
# 25 VAL MGY 48 TYR HD 4.50 (# 16:26 Unique 2.61, 6.31 A)
&rst
ixpk= 16, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 370, 371, 372, 374, 375, 376,
igr2= 731, 740,
&end
#
# 41 LEU MDY 48 TYR HD 4.50 (# 17:26 Unique 2.95, 5.37 A)
&rst
ixpk= 17, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 731, 740,
&end
#
# 49 LYS HN 48 TYR HD 5.50 (# 18:26 Unique 3.11, 4.48 A)
&rst
ixpk= 18, nxpk= 26, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 731, 740,
&end
#
# 30 TYR HE 30 TYR HD 2.50 (# 20:26 Unique 2.46, 3.72 A)
&rst
ixpk= 20, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 457, 462,
igr2= 455, 464,
&end
#
# 30 TYR HA 30 TYR HD 4.50 (# 21:26 Unique 4.13, 4.23 A)
&rst
ixpk= 21, nxpk= 26, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 455, 464,
&end
#
# 30 TYR HB- 30 TYR HD 2.50 (# 22:26 Unique 2.41, 3.09 A)
&rst
ixpk= 22, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 451, 452,
igr2= 455, 464,
&end
#
# 30 TYR HB+ 30 TYR HD 2.50 (# 23:26 Unique 2.41, 3.09 A)
&rst
ixpk= 23, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 451, 452,
igr2= 455, 464,
&end
#
# 48 TYR HA 48 TYR HD 4.50 (# 24:26 Unique 4.16, 4.27 A)
&rst
ixpk= 24, nxpk= 26, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 731, 740,
&end
#
# 0 AMB 26-2:25 33 TYR HD 3.50 (# 25:26 Single Ambig)
&rst
ixpk= 25, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 489, 490, 541, 542,
igr2= 493, 502,
&end
#
# 33 TYR HN 33 TYR HD 4.50 (# 27:26 Unique 2.20, 3.60 A)
&rst
ixpk= 27, nxpk= 26, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 493, 502,
&end
#
# 33 TYR HE 33 TYR HD 2.50 (# 28:26 Unique 2.47, 3.73 A)
&rst
ixpk= 28, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 495, 500,
igr2= 493, 502,
&end
#
# 33 TYR HA 33 TYR HD 4.50 (# 30:26 Unique 2.42, 3.46 A)
&rst
ixpk= 30, nxpk= 26, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 493, 502,
&end
#
# 33 TYR HB- 33 TYR HD 4.50 (# 31:26 Unique 2.36, 3.09 A)
&rst
ixpk= 31, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 489, 490,
igr2= 493, 502,
&end
#
# 26 PHE HE 26 PHE HD 2.50 (# 35:26 Unique 2.47, 3.73 A)
&rst
ixpk= 35, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 390, 394,
igr2= 388, 396,
&end
#
# 51 VAL HB 26 PHE HD 4.50 (# 36:26 Unique 2.41, 4.03 A)
&rst
ixpk= 36, nxpk= 26, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 388, 396,
&end
#
# 26 PHE HA 26 PHE HD 4.50 (# 37:26 Unique 2.74, 3.55 A)
&rst
ixpk= 37, nxpk= 26, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 388, 396,
&end
#
# 26 PHE HB+ 26 PHE HD 4.50 (# 38:26 Unique 2.39, 3.09 A)
&rst
ixpk= 38, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 384, 385,
igr2= 388, 396,
&end
#
# 0 AMB 26-2:39 26 PHE HD 2.50 (# 39:26 Single Ambig)
&rst
ixpk= 39, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 822, 823, 824, 826, 827, 828, 788, 789, 790, 792,
793, 794,
igr2= 388, 396,
&end
#
# 0 AMB 26-2:40 26 PHE HD 4.50 (# 40:26 Single Ambig)
&rst
ixpk= 40, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1002,1003,1004,1006,1007,1008, 354, 355, 356, 358,
359, 360,
igr2= 388, 396,
&end
#
# 26 PHE HN 26 PHE HD 4.50 (# 41:26 Unique 2.32, 3.65 A)
&rst
ixpk= 41, nxpk= 26, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 388, 396,
&end
#
# 26 PHE HB- 26 PHE HD 4.50 (# 42:26 Unique 2.39, 3.09 A)
&rst
ixpk= 42, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 384, 385,
igr2= 388, 396,
&end
#
# 53 LEU MDX 26 PHE HD 3.50 (# 43:26 Unique 2.16, 5.45 A)
&rst
ixpk= 43, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 822, 823, 824, 826, 827, 828,
igr2= 388, 396,
&end
#
# 79 PHE HE 79 PHE HD 3.50 (# 44:26 Unique 2.47, 3.72 A)
&rst
ixpk= 44, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1199,1203,
igr2=1197,1205,
&end
#
# 79 PHE HD 79 PHE HE 3.50 (# 45:26 Unique 2.47, 3.72 A)
&rst
ixpk= 45, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1197,1205,
igr2=1199,1203,
&end
#
# 0 AMB 26-2:46 26 PHE HE 4.50 (# 46:26 Single Ambig)
&rst
ixpk= 46, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 261, 262, 822, 823, 824, 826, 827, 828,
igr2= 390, 394,
&end
#
# 26 PHE HZ 26 PHE HE 2.50 (# 47:26 Unique 2.48, 2.48 A)
&rst
ixpk= 47, nxpk= 26, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 390, 394,
&end
#
# 0 AMB 26-2:48 26 PHE HE 2.50 (# 48:26 Single Ambig)
&rst
ixpk= 48, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 788, 789, 790, 792, 793, 794, 280, 281, 282, 354,
355, 356, 358, 359, 360,
igr2= 390, 394,
&end
#
# 26 PHE HD 26 PHE HE 2.50 (# 50:26 Unique 2.47, 3.73 A)
&rst
ixpk= 50, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 388, 396,
igr2= 390, 394,
&end
#
# 79 PHE HD 79 PHE HZ 5.50 (# 52:26 Unique 4.29, 4.30 A)
&rst
ixpk= 52, nxpk= 26, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1197,1205,
&end
#
# 79 PHE HE 79 PHE HZ 2.50 (# 53:26 Unique 2.48, 2.49 A)
&rst
ixpk= 53, nxpk= 26, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=1199,1203,
&end
#
# 0 AMB 26-2:54 79 PHE HZ 3.50 (# 54:26 Single Ambig)
&rst
ixpk= 54, nxpk= 26, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1069,1070,1071,1002,1003,1004,1006,1007,1008,
&end
#
# 17 LEU HB+ 26 PHE HZ 4.50 (# 55:26 Unique 2.41, 2.81 A)
&rst
ixpk= 55, nxpk= 26, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 261, 262,
&end
#
# 26 PHE HE 26 PHE HZ 2.50 (# 56:26 Unique 2.48, 2.48 A)
&rst
ixpk= 56, nxpk= 26, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 390, 394,
&end
#
# 0 AMB 26-2:57 26 PHE HZ 3.50 (# 57:26 Single Ambig)
&rst
ixpk= 57, nxpk= 26, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 280, 281, 282, 354, 355, 356, 358, 359, 360,
&end
#
# 69 TRP HB- 69 TRP HD1 4.50 (# 58:26 Unique 3.26, 3.60 A)
&rst
ixpk= 58, nxpk= 26, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1043,1044,
&end
#
# 69 TRP HE1 69 TRP HD1 2.50 (# 59:26 Unique 2.52, 2.52 A)
&rst
ixpk= 59, nxpk= 26, iat=1049,1047, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 69 TRP HZ2 69 TRP HH2 2.50 (# 61:26 Unique 2.49, 2.49 A)
&rst
ixpk= 61, nxpk= 26, iat=1052,1054, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 15 LYS HA 69 TRP HH2 4.50 (# 62:26 Unique 2.21, 2.39 A)
&rst
ixpk= 62, nxpk= 26, iat= 222,1054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 TRP HB- 69 TRP HD1 5.50 (# 63:26 Unique 3.26, 3.60 A)
&rst
ixpk= 63, nxpk= 26, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1043,1044,
&end
#
# 18 ALA MB 69 TRP HH2 3.50 (# 64:26 Unique 2.34, 2.86 A)
&rst
ixpk= 64, nxpk= 26, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 280, 281, 282,
&end
#
# 69 TRP HZ3 69 TRP HH2 3.50 (# 65:26 Unique 2.48, 2.48 A)
&rst
ixpk= 65, nxpk= 26, iat=1056,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 LYS HA 69 TRP HZ3 4.50 (# 66:26 Unique 3.23, 3.45 A)
&rst
ixpk= 66, nxpk= 26, iat= 222,1056, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 TRP HE3 69 TRP HZ3 3.50 (# 67:26 Unique 2.48, 2.49 A)
&rst
ixpk= 67, nxpk= 26, iat=1058,1056, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 TRP HH2 69 TRP HZ3 2.50 (# 68:26 Unique 2.48, 2.48 A)
&rst
ixpk= 68, nxpk= 26, iat=1054,1056, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 18 ALA MB 69 TRP HZ3 3.50 (# 69:26 Unique 2.69, 3.77 A)
&rst
ixpk= 69, nxpk= 26, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 280, 281, 282,
&end
#
# 66 LEU MDX 69 TRP HZ3 3.50 (# 70:26 Unique 3.02, 4.29 A)
&rst
ixpk= 70, nxpk= 26, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 14 ALA MB 69 TRP HZ3 4.50 (# 71:26 Unique 2.32, 3.18 A)
&rst
ixpk= 71, nxpk= 26, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 214, 215, 216,
&end
#
# 11 LEU MDX 68 HIS HD2 4.50 (# 73:26 Unique 2.15, 4.58 A)
&rst
ixpk= 73, nxpk= 26, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 11 LEU MDY 68 HIS HD2 5.50 (# 74:26 Unique 2.15, 4.58 A)
&rst
ixpk= 74, nxpk= 26, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 0 AMB 26-2:75 68 HIS HD2 3.50 (# 75:26 Single Ambig)
&rst
ixpk= 75, nxpk= 26, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1043,1044,1026,1027,
&end
#
# 65 ALA MB 68 HIS HD2 5.50 (# 77:26 Unique 3.59, 4.80 A)
&rst
ixpk= 77, nxpk= 26, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 987, 988, 989,
&end
#
# 69 TRP HN 68 HIS HD2 5.50 (# 78:26 Unique 2.71, 2.82 A)
&rst
ixpk= 78, nxpk= 26, iat=1039,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 26-2:79 68 HIS HD2 5.50 (# 79:26 Single Ambig)
&rst
ixpk= 79, nxpk= 26, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 117, 974,
&end
#
# 65 ALA HA 68 HIS HD2 5.50 (# 80:26 Unique 2.97, 3.24 A)
&rst
ixpk= 80, nxpk= 26, iat= 985,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 26-2:81 68 HIS HD2 3.50 (# 81:26 Single Ambig)
&rst
ixpk= 81, nxpk= 26, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1043,1044,1026,1027,1026,1027,
&end
#
# 11 LEU MDY 68 HIS HD2 4.50 (# 82:26 Unique 2.15, 4.58 A)
&rst
ixpk= 82, nxpk= 26, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 69 TRP HE1 68 HIS HD2 7.00 (# 83:26 Unique 6.88, 7.01 A)
&rst
ixpk= 83, nxpk= 26, iat=1049,1035, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 69 TRP HE3 68 HIS HD2 5.50 (# 84:26 Unique 5.50, 5.53 A)
&rst
ixpk= 84, nxpk= 26, iat=1058,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 LEU MDX 68 HIS HD2 4.50 (# 85:26 Unique 2.15, 4.58 A)
&rst
ixpk= 85, nxpk= 26, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 68 HIS HN 68 HIS HD2 5.50 (# 86:26 Unique 4.16, 4.25 A)
&rst
ixpk= 86, nxpk= 26, iat=1022,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 TRP HZ3 69 TRP HE3 3.50 (# 88:26 Unique 2.48, 2.49 A)
&rst
ixpk= 88, nxpk= 26, iat=1056,1058, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LEU HA 69 TRP HE3 4.50 (# 89:26 Unique 2.36, 2.85 A)
&rst
ixpk= 89, nxpk= 26, iat= 995,1058, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 TRP HB- 69 TRP HE3 3.50 (# 90:26 Unique 2.47, 2.97 A)
&rst
ixpk= 90, nxpk= 26, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1043,1044,
&end
#
# 66 LEU MDX 69 TRP HE3 2.50 (# 91:26 Unique 2.32, 3.86 A)
&rst
ixpk= 91, nxpk= 26, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 26-2:92 69 TRP HE3 5.50 (# 92:26 Single Ambig)
&rst
ixpk= 92, nxpk= 26, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1054, 390, 394,1035,
&end
#
# 0 AMB 26-2:93 69 TRP HE3 4.50 (# 93:26 Single Ambig)
&rst
ixpk= 93, nxpk= 26, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 214, 215, 216, 154,
&end
#
# 54 ASP HB+ 30 TYR HE 5.50 (# 94:26 Unique 3.53, 6.55 A)
&rst
ixpk= 94, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 836, 837,
igr2= 457, 462,
&end
#
# 28 LYS HE+ 30 TYR HE 5.50 (# 95:26 Unique 2.74, 6.90 A)
&rst
ixpk= 95, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 424, 425,
igr2= 457, 462,
&end
#
# 0 AMB 26-2:96 30 TYR HE 4.50 (# 96:26 Single Ambig)
&rst
ixpk= 96, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 421, 422, 418, 419,
igr2= 457, 462,
&end
#
# 28 LYS HD- 30 TYR HE 5.50 (# 97:26 Unique 2.66, 5.02 A)
&rst
ixpk= 97, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 421, 422,
igr2= 457, 462,
&end
#
# 33 TYR HD 33 TYR HE 2.50 (# 99:26 Unique 2.47, 3.73 A)
&rst
ixpk= 99, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 493, 502,
igr2= 495, 500,
&end
#
# 30 TYR HD 30 TYR HE 2.50 (# 100:26 Unique 2.46, 3.72 A)
&rst
ixpk= 100, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 455, 464,
igr2= 457, 462,
&end
#
# 54 ASP HB- 30 TYR HE 5.50 (# 102:26 Unique 3.53, 6.55 A)
&rst
ixpk= 102, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 836, 837,
igr2= 457, 462,
&end
#
# 95 HIS HB+ 95 HIS HD2 4.50 (# 104:26 Unique 2.57, 3.11 A)
&rst
ixpk= 104, nxpk= 26, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1424,1425,
&end
#
# 42 THR HA 48 TYR HE 4.50 (# 105:26 Unique 2.59, 4.88 A)
&rst
ixpk= 105, nxpk= 26, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 733, 738,
&end
#
# 38 LYS HE+ 48 TYR HE 4.50 (# 106:26 Unique 2.70, 5.43 A)
&rst
ixpk= 106, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 584, 585,
igr2= 733, 738,
&end
#
# 46 ALA MB 48 TYR HE 4.50 (# 108:26 Unique 4.07, 7.00 A)
&rst
ixpk= 108, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 706, 707, 708,
igr2= 733, 738,
&end
#
# 50 VAL MGX 48 TYR HE 3.50 (# 109:26 Unique 2.26, 5.95 A)
&rst
ixpk= 109, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 772, 773, 774, 776, 777, 778,
igr2= 733, 738,
&end
#
# 41 LEU HB- 48 TYR HE 3.50 (# 110:26 Unique 2.76, 4.35 A)
&rst
ixpk= 110, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 633, 634,
igr2= 733, 738,
&end
#
# 41 LEU MDY 48 TYR HE 4.50 (# 111:26 Unique 3.94, 6.35 A)
&rst
ixpk= 111, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 733, 738,
&end
#
# 95 HIS HB- 95 HIS HD2 4.50 (# 112:26 Unique 2.57, 3.11 A)
&rst
ixpk= 112, nxpk= 26, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1424,1425,
&end
#
# 0 AMB 26-2:113 95 HIS HD2 4.50 (# 113:26 Single Ambig)
&rst
ixpk= 113, nxpk= 26, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 685, 686, 687, 689, 690, 691,1516,1517,1518,1520,
1521,1522,1516,1517,1518,1520,1521,1522,
&end
#
# 40 LEU MDX 95 HIS HD2 3.50 (# 114:26 Unique 2.38, 4.23 A)
&rst
ixpk= 114, nxpk= 26, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 69 TRP HE1 69 TRP HZ2 4.50 (# 115:26 Unique 2.91, 2.92 A)
&rst
ixpk= 115, nxpk= 26, iat=1049,1052, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 TRP HH2 69 TRP HZ2 2.50 (# 116:26 Unique 2.49, 2.49 A)
&rst
ixpk= 116, nxpk= 26, iat=1054,1052, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 26-2:117 69 TRP HZ2 4.50 (# 117:26 Single Ambig)
&rst
ixpk= 117, nxpk= 26, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 280, 281, 282, 156, 157, 158, 160, 161, 162,
&end
#
# 68 HIS HA 68 HIS HE1 7.00 (# 118:26 Unique 5.50, 5.59 A)
&rst
ixpk= 118, nxpk= 26, iat=1024,1032, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 68 HIS HD2 68 HIS HE1 5.50 (# 119:26 Unique 4.26, 4.27 A)
&rst
ixpk= 119, nxpk= 26, iat=1035,1032, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 THR HN 48 TYR HD 5.50 (# 121:26 Unique 4.57, 5.98 A)
&rst
ixpk= 121, nxpk= 26, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 731, 740,
&end
#
# 0 AMB 26-2:123 48 TYR HD 4.50 (# 123:26 Single Ambig)
&rst
ixpk= 123, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 714, 704,
igr2= 731, 740,
&end
#
# 23 VAL HB 48 TYR HD 5.50 (# 124:26 Unique 4.50, 4.91 A)
&rst
ixpk= 124, nxpk= 26, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 731, 740,
&end
#
# 25 VAL HB 48 TYR HD 5.50 (# 125:26 Unique 3.53, 5.85 A)
&rst
ixpk= 125, nxpk= 26, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 731, 740,
&end
#
# 50 VAL HB 48 TYR HD 5.50 (# 126:26 Unique 2.53, 6.26 A)
&rst
ixpk= 126, nxpk= 26, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 731, 740,
&end
#
# 38 LYS HG- 48 TYR HD 5.50 (# 127:26 Unique 4.01, 6.07 A)
&rst
ixpk= 127, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 578, 579,
igr2= 731, 740,
&end
#
# 41 LEU MDX 48 TYR HD 5.50 (# 128:26 Unique 2.95, 5.37 A)
&rst
ixpk= 128, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 731, 740,
&end
#
# 31 CYS HA 30 TYR HD 5.50 (# 129:26 Unique 2.76, 4.50 A)
&rst
ixpk= 129, nxpk= 26, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 455, 464,
&end
#
# 28 LYS QG 30 TYR HD 5.50 (# 130:26 Unique 5.30, 7.33 A)
&rst
ixpk= 130, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 418, 419,
igr2= 455, 464,
&end
#
# 28 LYS HB+ 30 TYR HD 5.50 (# 132:26 Unique 3.43, 5.19 A)
&rst
ixpk= 132, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 415, 416,
igr2= 455, 464,
&end
#
# 32 GLY QA 33 TYR HD 5.50 (# 133:26 Unique 4.27, 6.11 A)
&rst
ixpk= 133, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 480, 481,
igr2= 493, 502,
&end
#
# 76 PRO HD+ 33 TYR HD 5.50 (# 134:26 Unique 3.81, 4.91 A)
&rst
ixpk= 134, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1146,1147,
igr2= 493, 502,
&end
#
# 88 CYS HB- 33 TYR HD 5.50 (# 135:26 Unique 2.27, 4.66 A)
&rst
ixpk= 135, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1318,1319,
igr2= 493, 502,
&end
#
# 34 CYS HN 33 TYR HD 5.50 (# 136:26 Unique 4.49, 5.16 A)
&rst
ixpk= 136, nxpk= 26, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 493, 502,
&end
#
# 77 ASN HB+ 26 PHE HD 5.50 (# 138:26 Unique 2.69, 5.23 A)
&rst
ixpk= 138, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1163,1164,
igr2= 388, 396,
&end
#
# 66 LEU MDX 26 PHE HD 5.50 (# 139:26 Unique 2.81, 4.87 A)
&rst
ixpk= 139, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1002,1003,1004,1006,1007,1008,
igr2= 388, 396,
&end
#
# 51 VAL MGX 26 PHE HD 5.50 (# 140:26 Unique 2.52, 5.49 A)
&rst
ixpk= 140, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 788, 789, 790, 792, 793, 794,
igr2= 388, 396,
&end
#
# 14 ALA HA 26 PHE HZ 5.50 (# 142:26 Unique 3.00, 3.20 A)
&rst
ixpk= 142, nxpk= 26, iat= 212, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ALA HA 26 PHE HZ 5.50 (# 143:26 Unique 3.08, 3.27 A)
&rst
ixpk= 143, nxpk= 26, iat= 278, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 VAL MGX 26 PHE HZ 5.50 (# 144:26 Unique 3.26, 5.06 A)
&rst
ixpk= 144, nxpk= 26, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 18 ALA HN 26 PHE HZ 5.50 (# 145:26 Unique 2.51, 2.59 A)
&rst
ixpk= 145, nxpk= 26, iat= 276, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 LYS HN 69 TRP HZ3 5.50 (# 147:26 Unique 3.84, 4.06 A)
&rst
ixpk= 147, nxpk= 26, iat= 220,1056, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 PHE HE 69 TRP HZ3 5.50 (# 148:26 Unique 3.61, 4.28 A)
&rst
ixpk= 148, nxpk= 26, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1199,1203,
&end
#
# 53 LEU HG 26 PHE HD 5.50 (# 150:26 Unique 2.99, 5.73 A)
&rst
ixpk= 150, nxpk= 26, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 388, 396,
&end
#
# 67 ALA HA 68 HIS HD2 7.00 (# 151:26 Unique 7.01, 7.08 A)
&rst
ixpk= 151, nxpk= 26, iat=1014,1035, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 41 LEU MDX 48 TYR HE 5.50 (# 152:26 Unique 3.94, 6.35 A)
&rst
ixpk= 152, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 638, 639, 640, 642, 643, 644,
igr2= 733, 738,
&end
#
# 25 VAL MGY 48 TYR HE 5.50 (# 153:26 Unique 3.92, 7.04 A)
&rst
ixpk= 153, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 370, 371, 372, 374, 375, 376,
igr2= 733, 738,
&end
#
# 38 LYS HD+ 48 TYR HE 4.50 (# 154:26 Unique 3.56, 6.49 A)
&rst
ixpk= 154, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 581, 582,
igr2= 733, 738,
&end
#
# 23 VAL HB 48 TYR HE 7.00 (# 155:26 Unique 6.90, 7.18 A)
&rst
ixpk= 155, nxpk= 26, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 733, 738,
&end
#
# 25 VAL HB 48 TYR HE 5.50 (# 156:26 Unique 4.33, 6.52 A)
&rst
ixpk= 156, nxpk= 26, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 733, 738,
&end
#
# 48 TYR HB- 48 TYR HE 5.50 (# 157:26 Unique 4.64, 5.09 A)
&rst
ixpk= 157, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 727, 728,
igr2= 733, 738,
&end
#
# 38 LYS HA 48 TYR HE 5.50 (# 158:26 Unique 2.86, 3.99 A)
&rst
ixpk= 158, nxpk= 26, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 733, 738,
&end
#
# 47 SER HA 48 TYR HE 5.50 (# 159:26 Unique 4.73, 6.44 A)
&rst
ixpk= 159, nxpk= 26, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 733, 738,
&end
#
# 0 AMB 26-2:160 48 TYR HE 5.50 (# 160:26 Single Ambig)
&rst
ixpk= 160, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 723, 695,
igr2= 733, 738,
&end
#
# 0 AMB 26-2:161 48 TYR HE 5.50 (# 161:26 Single Ambig)
&rst
ixpk= 161, nxpk= 26, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 629, 571,
igr2= 733, 738,
&end
#
# 42 THR HN 48 TYR HE 5.50 (# 162:26 Unique 3.09, 4.72 A)
&rst
ixpk= 162, nxpk= 26, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 733, 738,
&end
#
# 15 LYS HE+ 69 TRP HZ2 5.50 (# 164:26 Unique 2.68, 3.55 A)
&rst
ixpk= 164, nxpk= 26, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 233, 234,
&end
#
# 15 LYS HE- 69 TRP HZ2 5.50 (# 165:26 Unique 2.68, 3.55 A)
&rst
ixpk= 165, nxpk= 26, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 233, 234,
&end
#
# 0 AMB 15-2:0 117 LEU HN 3.50 (# 0:15 Single Ambig)
&rst
ixpk= 0, nxpk= 15, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1742,1555,
&end
#
# 117 LEU HA 117 LEU HN 5.50 (# 1:15 Unique 2.76, 2.87 A)
&rst
ixpk= 1, nxpk= 15, iat=1759,1757, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 GLN HB+ 117 LEU HN 5.50 (# 2:15 Unique 1.95, 3.57 A)
&rst
ixpk= 2, nxpk= 15, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1744,1745,
&end
#
# 0 AMB 15-2:3 117 LEU HN 4.50 (# 3:15 Single Ambig)
&rst
ixpk= 3, nxpk= 15, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1761,1762,1764,
&end
#
# 116 GLN QG 117 LEU HN 5.50 (# 4:15 Unique 2.47, 4.38 A)
&rst
ixpk= 4, nxpk= 15, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1747,1748,
&end
#
# 116 GLN HB- 117 LEU HN 5.50 (# 5:15 Unique 1.95, 3.57 A)
&rst
ixpk= 5, nxpk= 15, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1744,1745,
&end
#
# 0 AMB 15-2:6 51 VAL HN 5.50 (# 6:15 Single Ambig)
&rst
ixpk= 6, nxpk= 15, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 364, 380,
&end
#
# 50 VAL HN 51 VAL HN 5.50 (# 7:15 Unique 4.26, 4.34 A)
&rst
ixpk= 7, nxpk= 15, iat= 766, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 VAL HA 51 VAL HN 3.50 (# 8:15 Unique 2.20, 2.26 A)
&rst
ixpk= 8, nxpk= 15, iat= 768, 782, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 VAL HA 51 VAL HN 4.50 (# 9:15 Unique 2.96, 2.97 A)
&rst
ixpk= 9, nxpk= 15, iat= 784, 782, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:10 51 VAL HN 5.50 (# 10:15 Single Ambig)
&rst
ixpk= 10, nxpk= 15, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 368, 805, 806,
&end
#
# 51 VAL HB 51 VAL HN 4.50 (# 11:15 Unique 2.64, 2.84 A)
&rst
ixpk= 11, nxpk= 15, iat= 786, 782, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 VAL MGX 51 VAL HN 4.50 (# 12:15 Unique 2.30, 4.10 A)
&rst
ixpk= 12, nxpk= 15, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 772, 773, 774, 776, 777, 778,
&end
#
# 0 AMB 15-2:13 51 VAL HN 3.50 (# 13:15 Single Ambig)
&rst
ixpk= 13, nxpk= 15, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 772, 773, 774, 776, 777, 778, 788, 789, 790, 792,
793, 794,
&end
#
# 25 VAL MGX 51 VAL HN 5.50 (# 14:15 Unique 4.25, 5.82 A)
&rst
ixpk= 14, nxpk= 15, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 370, 371, 372, 374, 375, 376,
&end
#
# 51 VAL MGX 51 VAL HN 4.50 (# 15:15 Unique 2.69, 4.22 A)
&rst
ixpk= 15, nxpk= 15, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 788, 789, 790, 792, 793, 794,
&end
#
# 24 VAL MGX 51 VAL HN 5.50 (# 16:15 Unique 4.54, 6.59 A)
&rst
ixpk= 16, nxpk= 15, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 27 SER HN 51 VAL HN 5.50 (# 17:15 Unique 3.26, 3.51 A)
&rst
ixpk= 17, nxpk= 15, iat= 400, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 PHE HA 51 VAL HN 4.50 (# 18:15 Unique 2.83, 2.97 A)
&rst
ixpk= 18, nxpk= 15, iat= 382, 782, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 VAL HB 51 VAL HN 5.50 (# 19:15 Unique 3.76, 3.90 A)
&rst
ixpk= 19, nxpk= 15, iat= 770, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 VAL HA 79 PHE HN 5.50 (# 20:15 Unique 3.52, 3.69 A)
&rst
ixpk= 20, nxpk= 15, iat= 366,1189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:21 79 PHE HN 5.50 (# 21:15 Single Ambig)
&rst
ixpk= 21, nxpk= 15, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1209,1159,
&end
#
# 24 VAL HN 79 PHE HN 4.50 (# 22:15 Unique 2.80, 2.86 A)
&rst
ixpk= 22, nxpk= 15, iat= 348,1189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 PHE HD 79 PHE HN 4.50 (# 23:15 Unique 2.82, 4.21 A)
&rst
ixpk= 23, nxpk= 15, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1197,1205,
&end
#
# 78 VAL MGX 79 PHE HN 4.50 (# 24:15 Unique 2.53, 4.12 A)
&rst
ixpk= 24, nxpk= 15, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1179,1180,1181,1183,1184,1185,
&end
#
# 24 VAL MGX 79 PHE HN 5.50 (# 25:15 Unique 4.85, 5.78 A)
&rst
ixpk= 25, nxpk= 15, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 79 PHE HE 79 PHE HN 7.00 (# 26:15 Unique 5.23, 6.24 A)
&rst
ixpk= 26, nxpk= 15, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1199,1203,
&end
#
# 79 PHE HA 79 PHE HN 5.50 (# 27:15 Unique 2.97, 2.97 A)
&rst
ixpk= 27, nxpk= 15, iat=1191,1189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 PHE HB+ 79 PHE HN 4.50 (# 29:15 Unique 2.50, 3.11 A)
&rst
ixpk= 29, nxpk= 15, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1193,1194,
&end
#
# 79 PHE HB- 79 PHE HN 5.50 (# 30:15 Unique 2.50, 3.11 A)
&rst
ixpk= 30, nxpk= 15, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1193,1194,
&end
#
# 24 VAL HB 79 PHE HN 4.50 (# 31:15 Unique 3.61, 3.74 A)
&rst
ixpk= 31, nxpk= 15, iat= 352,1189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:32 79 PHE HN 5.50 (# 32:15 Single Ambig)
&rst
ixpk= 32, nxpk= 15, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 338, 339, 340, 342, 343, 344,1357,1358,1359,1361,
1362,1363,1357,1358,1359,1361,1362,1363, 561, 562,
563, 565, 566, 567,
&end
#
# 78 VAL MGY 79 PHE HN 4.50 (# 33:15 Unique 2.53, 4.12 A)
&rst
ixpk= 33, nxpk= 15, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 15-2:35 69 TRP HE1 5.50 (# 35:15 Single Ambig)
&rst
ixpk= 35, nxpk= 15, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1054,1035,
&end
#
# 69 TRP HB- 69 TRP HE1 5.50 (# 36:15 Unique 5.00, 5.14 A)
&rst
ixpk= 36, nxpk= 15, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1043,1044,
&end
#
# 15 LYS QD 69 TRP HE1 5.50 (# 37:15 Unique 5.27, 5.76 A)
&rst
ixpk= 37, nxpk= 15, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 230, 231,
&end
#
# 70 THR MG2 69 TRP HE1 5.50 (# 38:15 Unique 4.52, 6.00 A)
&rst
ixpk= 38, nxpk= 15, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1069,1070,1071,
&end
#
# 15 LYS HG+ 69 TRP HE1 5.50 (# 39:15 Unique 4.26, 4.87 A)
&rst
ixpk= 39, nxpk= 15, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 227, 228,
&end
#
# 69 TRP HZ2 69 TRP HE1 3.50 (# 40:15 Unique 2.91, 2.92 A)
&rst
ixpk= 40, nxpk= 15, iat=1052,1049, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 TRP HD1 69 TRP HE1 2.50 (# 41:15 Unique 2.52, 2.52 A)
&rst
ixpk= 41, nxpk= 15, iat=1047,1049, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 15-2:43 69 TRP HE1 7.00 (# 43:15 Single Ambig)
&rst
ixpk= 43, nxpk= 15, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1065, 995,
&end
#
# 15 LYS HE- 69 TRP HE1 5.50 (# 44:15 Unique 2.89, 3.43 A)
&rst
ixpk= 44, nxpk= 15, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 233, 234,
&end
#
# 15 LYS HE+ 69 TRP HE1 4.50 (# 45:15 Unique 2.89, 3.43 A)
&rst
ixpk= 45, nxpk= 15, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 233, 234,
&end
#
# 0 AMB 15-2:46 69 TRP HE1 5.50 (# 46:15 Single Ambig)
&rst
ixpk= 46, nxpk= 15, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 224, 225, 154,
&end
#
# 11 LEU MDX 69 TRP HE1 5.50 (# 47:15 Unique 3.97, 5.87 A)
&rst
ixpk= 47, nxpk= 15, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 11 LEU MDY 69 TRP HE1 5.50 (# 48:15 Unique 3.97, 5.87 A)
&rst
ixpk= 48, nxpk= 15, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 34 CYS HN 33 TYR HN 4.50 (# 50:15 Unique 2.60, 2.73 A)
&rst
ixpk= 50, nxpk= 15, iat= 506, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 GLY HN 33 TYR HN 5.50 (# 51:15 Unique 2.63, 2.80 A)
&rst
ixpk= 51, nxpk= 15, iat= 478, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ASN HN 33 TYR HN 5.50 (# 52:15 Unique 4.08, 4.25 A)
&rst
ixpk= 52, nxpk= 15, iat= 517, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 TYR HD 33 TYR HN 4.50 (# 53:15 Unique 2.20, 3.60 A)
&rst
ixpk= 53, nxpk= 15, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 493, 502,
&end
#
# 33 TYR HE 33 TYR HN 5.50 (# 54:15 Unique 4.45, 5.23 A)
&rst
ixpk= 54, nxpk= 15, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 495, 500,
&end
#
# 33 TYR HA 33 TYR HN 4.50 (# 56:15 Unique 2.84, 2.86 A)
&rst
ixpk= 56, nxpk= 15, iat= 487, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 GLY QA 33 TYR HN 4.50 (# 57:15 Unique 2.83, 3.25 A)
&rst
ixpk= 57, nxpk= 15, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 480, 481,
&end
#
# 0 AMB 15-2:58 33 TYR HN 5.50 (# 58:15 Single Ambig)
&rst
ixpk= 58, nxpk= 15, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1146,1147, 510, 511,
&end
#
# 33 TYR HB+ 33 TYR HN 4.50 (# 59:15 Unique 2.35, 3.01 A)
&rst
ixpk= 59, nxpk= 15, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 489, 490,
&end
#
# 33 TYR HB- 33 TYR HN 4.50 (# 60:15 Unique 2.35, 3.01 A)
&rst
ixpk= 60, nxpk= 15, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 489, 490,
&end
#
# 35 ASN HN 34 CYS HN 5.50 (# 61:15 Unique 2.50, 2.60 A)
&rst
ixpk= 61, nxpk= 15, iat= 517, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:62 34 CYS HN 5.50 (# 62:15 Single Ambig)
&rst
ixpk= 62, nxpk= 15, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 487, 470,
&end
#
# 0 AMB 15-2:63 34 CYS HN 4.50 (# 63:15 Single Ambig)
&rst
ixpk= 63, nxpk= 15, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1146,1147, 508,
&end
#
# 0 AMB 15-2:64 34 CYS HN 4.50 (# 64:15 Single Ambig)
&rst
ixpk= 64, nxpk= 15, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 510, 511,1146,1147,
&end
#
# 33 TYR HB- 34 CYS HN 4.50 (# 65:15 Unique 2.72, 3.33 A)
&rst
ixpk= 65, nxpk= 15, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 489, 490,
&end
#
# 33 TYR HN 34 CYS HN 4.50 (# 66:15 Unique 2.60, 2.73 A)
&rst
ixpk= 66, nxpk= 15, iat= 485, 506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 TYR HB+ 34 CYS HN 5.50 (# 68:15 Unique 2.72, 3.33 A)
&rst
ixpk= 68, nxpk= 15, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 489, 490,
&end
#
# 81 GLY HN 24 VAL HN 5.50 (# 69:15 Unique 5.40, 5.49 A)
&rst
ixpk= 69, nxpk= 15, iat=1228, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:70 24 VAL HN 5.50 (# 70:15 Single Ambig)
&rst
ixpk= 70, nxpk= 15, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 744,1209,
&end
#
# 23 VAL HA 24 VAL HN 3.50 (# 71:15 Unique 2.25, 2.27 A)
&rst
ixpk= 71, nxpk= 15, iat= 334, 348, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 PHE HB+ 24 VAL HN 5.50 (# 73:15 Unique 3.00, 3.62 A)
&rst
ixpk= 73, nxpk= 15, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1193,1194,
&end
#
# 23 VAL HB 24 VAL HN 5.50 (# 74:15 Unique 3.97, 4.07 A)
&rst
ixpk= 74, nxpk= 15, iat= 336, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ALA MB 24 VAL HN 5.50 (# 75:15 Unique 5.23, 6.16 A)
&rst
ixpk= 75, nxpk= 15, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 312, 313, 314,
&end
#
# 0 AMB 15-2:76 24 VAL HN 4.50 (# 76:15 Single Ambig)
&rst
ixpk= 76, nxpk= 15, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
1184,1185,
&end
#
# 23 VAL MGY 24 VAL HN 4.50 (# 77:15 Unique 2.78, 4.22 A)
&rst
ixpk= 77, nxpk= 15, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 24 VAL MGX 24 VAL HN 5.50 (# 78:15 Unique 3.01, 4.32 A)
&rst
ixpk= 78, nxpk= 15, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 79 PHE HN 24 VAL HN 5.50 (# 79:15 Unique 2.80, 2.86 A)
&rst
ixpk= 79, nxpk= 15, iat=1189, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 VAL HN 24 VAL HN 5.50 (# 80:15 Unique 4.21, 4.23 A)
&rst
ixpk= 80, nxpk= 15, iat= 332, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:81 24 VAL HN 5.50 (# 81:15 Single Ambig)
&rst
ixpk= 81, nxpk= 15, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1191, 725,
&end
#
# 79 PHE HB- 24 VAL HN 5.50 (# 82:15 Unique 3.00, 3.62 A)
&rst
ixpk= 82, nxpk= 15, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1193,1194,
&end
#
# 24 VAL HB 24 VAL HN 4.50 (# 83:15 Unique 2.82, 2.87 A)
&rst
ixpk= 83, nxpk= 15, iat= 352, 348, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 ILE HG1- 24 VAL HN 5.50 (# 84:15 Unique 3.96, 4.34 A)
&rst
ixpk= 84, nxpk= 15, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1219,1220,
&end
#
# 80 ILE HG1+ 24 VAL HN 5.50 (# 85:15 Unique 3.96, 4.34 A)
&rst
ixpk= 85, nxpk= 15, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1219,1220,
&end
#
# 26 PHE HE 26 PHE HN 5.50 (# 98:15 Unique 4.44, 5.39 A)
&rst
ixpk= 98, nxpk= 15, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 390, 394,
&end
#
# 79 PHE HN 26 PHE HN 5.50 (# 99:15 Unique 4.44, 4.70 A)
&rst
ixpk= 99, nxpk= 15, iat=1189, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ASN HN 26 PHE HN 4.50 (# 100:15 Unique 2.92, 3.10 A)
&rst
ixpk= 100, nxpk= 15, iat=1159, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 PHE HD 26 PHE HN 4.50 (# 101:15 Unique 2.32, 3.65 A)
&rst
ixpk= 101, nxpk= 15, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 388, 396,
&end
#
# 26 PHE HA 26 PHE HN 4.50 (# 102:15 Unique 2.94, 2.96 A)
&rst
ixpk= 102, nxpk= 15, iat= 382, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 VAL HA 26 PHE HN 3.50 (# 104:15 Unique 2.18, 2.22 A)
&rst
ixpk= 104, nxpk= 15, iat= 366, 380, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 VAL HB 26 PHE HN 5.50 (# 105:15 Unique 4.36, 4.89 A)
&rst
ixpk= 105, nxpk= 15, iat= 786, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:106 26 PHE HN 4.50 (# 106:15 Single Ambig)
&rst
ixpk= 106, nxpk= 15, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 354, 355, 356, 358, 359, 360,1179,1180,1181,1183,
1184,1185, 788, 789, 790, 792, 793, 794,
&end
#
# 0 AMB 15-2:107 26 PHE HN 4.50 (# 107:15 Single Ambig)
&rst
ixpk= 107, nxpk= 15, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
1184,1185,
&end
#
# 25 VAL MGY 26 PHE HN 4.50 (# 108:15 Unique 3.14, 4.82 A)
&rst
ixpk= 108, nxpk= 15, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 370, 371, 372, 374, 375, 376,
&end
#
# 77 ASN HB+ 26 PHE HN 5.50 (# 109:15 Unique 3.31, 4.29 A)
&rst
ixpk= 109, nxpk= 15, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1163,1164,
&end
#
# 26 PHE HB- 26 PHE HN 4.50 (# 110:15 Unique 2.38, 3.04 A)
&rst
ixpk= 110, nxpk= 15, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 384, 385,
&end
#
# 25 VAL HB 26 PHE HN 5.50 (# 111:15 Unique 4.19, 4.44 A)
&rst
ixpk= 111, nxpk= 15, iat= 368, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:112 26 PHE HN 5.50 (# 112:15 Single Ambig)
&rst
ixpk= 112, nxpk= 15, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 354, 355, 356, 358, 359, 360,1002,1003,1004,1006,
1007,1008,
&end
#
# 79 PHE HN 78 VAL HN 5.50 (# 113:15 Unique 4.43, 4.49 A)
&rst
ixpk= 113, nxpk= 15, iat=1189,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ASN HN 78 VAL HN 5.50 (# 114:15 Unique 3.97, 4.12 A)
&rst
ixpk= 114, nxpk= 15, iat=1159,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 VAL MGX 78 VAL HN 3.50 (# 115:15 Unique 2.24, 4.01 A)
&rst
ixpk= 115, nxpk= 15, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 15-2:116 78 VAL HN 4.50 (# 116:15 Single Ambig)
&rst
ixpk= 116, nxpk= 15, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
1362,1363, 561, 562, 563, 565, 566, 567,
&end
#
# 86 GLY HN 78 VAL HN 4.50 (# 117:15 Unique 2.99, 3.07 A)
&rst
ixpk= 117, nxpk= 15, iat=1300,1173, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 ASN HA 78 VAL HN 3.50 (# 118:15 Unique 2.17, 2.22 A)
&rst
ixpk= 118, nxpk= 15, iat=1161,1173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:119 78 VAL HN 5.50 (# 119:15 Single Ambig)
&rst
ixpk= 119, nxpk= 15, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1302,1303, 366,
&end
#
# 86 GLY HA- 78 VAL HN 5.50 (# 120:15 Unique 4.50, 4.74 A)
&rst
ixpk= 120, nxpk= 15, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1302,1303,
&end
#
# 77 ASN HB+ 78 VAL HN 5.50 (# 121:15 Unique 4.15, 4.40 A)
&rst
ixpk= 121, nxpk= 15, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1163,1164,
&end
#
# 77 ASN HB- 78 VAL HN 5.50 (# 122:15 Unique 4.15, 4.40 A)
&rst
ixpk= 122, nxpk= 15, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1163,1164,
&end
#
# 78 VAL HB 78 VAL HN 3.50 (# 123:15 Unique 2.59, 2.69 A)
&rst
ixpk= 123, nxpk= 15, iat=1177,1173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:124 78 VAL HN 5.50 (# 124:15 Single Ambig)
&rst
ixpk= 124, nxpk= 15, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1271,1272,1285,1152,1153,
&end
#
# 78 VAL MGY 78 VAL HN 4.50 (# 125:15 Unique 2.24, 4.01 A)
&rst
ixpk= 125, nxpk= 15, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 15-2:126 52 GLU HN 5.50 (# 126:15 Single Ambig)
&rst
ixpk= 126, nxpk= 15, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 439, 440, 441, 751, 752,
&end
#
# 0 AMB 15-2:127 52 GLU HN 5.50 (# 127:15 Single Ambig)
&rst
ixpk= 127, nxpk= 15, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 772, 773, 774, 776, 777, 778, 822, 823, 824, 826,
827, 828,
&end
#
# 53 LEU HN 52 GLU HN 5.50 (# 128:15 Unique 3.84, 4.06 A)
&rst
ixpk= 128, nxpk= 15, iat= 813, 798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU HA 52 GLU HN 4.50 (# 129:15 Unique 2.86, 2.93 A)
&rst
ixpk= 129, nxpk= 15, iat= 800, 798, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 VAL HA 52 GLU HN 2.50 (# 130:15 Unique 2.19, 2.25 A)
&rst
ixpk= 130, nxpk= 15, iat= 784, 798, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 15-2:131 52 GLU HN 3.50 (# 131:15 Single Ambig)
&rst
ixpk= 131, nxpk= 15, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 802, 803, 805, 806,
&end
#
# 52 GLU HB- 52 GLU HN 4.50 (# 132:15 Unique 2.27, 3.04 A)
&rst
ixpk= 132, nxpk= 15, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 802, 803,
&end
#
# 0 AMB 15-2:133 52 GLU HN 3.50 (# 133:15 Single Ambig)
&rst
ixpk= 133, nxpk= 15, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 788, 789, 790, 792, 793, 794, 772, 773, 774, 776,
777, 778, 822, 823, 824, 826, 827, 828,
&end
#
# 51 VAL MGX 52 GLU HN 4.50 (# 134:15 Unique 2.88, 4.91 A)
&rst
ixpk= 134, nxpk= 15, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 788, 789, 790, 792, 793, 794,
&end
#
# 27 SER HN 53 LEU HN 5.50 (# 135:15 Unique 2.84, 2.99 A)
&rst
ixpk= 135, nxpk= 15, iat= 400, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:136 53 LEU HN 5.50 (# 136:15 Single Ambig)
&rst
ixpk= 136, nxpk= 15, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 798, 782,
&end
#
# 52 GLU HA 53 LEU HN 4.50 (# 137:15 Unique 2.11, 2.20 A)
&rst
ixpk= 137, nxpk= 15, iat= 800, 813, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU HA 53 LEU HN 4.50 (# 138:15 Unique 2.73, 2.77 A)
&rst
ixpk= 138, nxpk= 15, iat= 815, 813, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU HG 53 LEU HN 4.50 (# 139:15 Unique 2.20, 3.09 A)
&rst
ixpk= 139, nxpk= 15, iat= 820, 813, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:140 53 LEU HN 5.50 (# 140:15 Single Ambig)
&rst
ixpk= 140, nxpk= 15, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 802, 803, 805, 806, 851, 852,
&end
#
# 29 THR MG2 53 LEU HN 5.50 (# 141:15 Unique 5.10, 6.42 A)
&rst
ixpk= 141, nxpk= 15, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 439, 440, 441,
&end
#
# 53 LEU MDX 53 LEU HN 4.50 (# 142:15 Unique 2.19, 4.07 A)
&rst
ixpk= 142, nxpk= 15, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 53 LEU MDY 53 LEU HN 4.50 (# 143:15 Unique 2.19, 4.07 A)
&rst
ixpk= 143, nxpk= 15, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 54 ASP HN 53 LEU HN 5.50 (# 144:15 Unique 2.78, 2.98 A)
&rst
ixpk= 144, nxpk= 15, iat= 832, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LYS HA 53 LEU HN 5.50 (# 145:15 Unique 2.88, 3.13 A)
&rst
ixpk= 145, nxpk= 15, iat= 413, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:146 53 LEU HN 4.50 (# 146:15 Single Ambig)
&rst
ixpk= 146, nxpk= 15, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 817, 818, 421, 422,
&end
#
# 0 AMB 15-2:147 25 VAL HN 5.50 (# 147:15 Single Ambig)
&rst
ixpk= 147, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 382, 334,
&end
#
# 49 LYS HB- 25 VAL HN 5.50 (# 148:15 Unique 3.45, 4.89 A)
&rst
ixpk= 148, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 748, 749,
&end
#
# 51 VAL HN 25 VAL HN 5.50 (# 149:15 Unique 3.75, 3.89 A)
&rst
ixpk= 149, nxpk= 15, iat= 782, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 VAL HA 25 VAL HN 4.50 (# 151:15 Unique 2.98, 2.98 A)
&rst
ixpk= 151, nxpk= 15, iat= 366, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 VAL HB 25 VAL HN 5.50 (# 152:15 Unique 4.05, 4.09 A)
&rst
ixpk= 152, nxpk= 15, iat= 352, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:153 25 VAL HN 5.50 (# 153:15 Single Ambig)
&rst
ixpk= 153, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 751, 752, 312, 313, 314,
&end
#
# 0 AMB 15-2:154 25 VAL HN 4.50 (# 154:15 Single Ambig)
&rst
ixpk= 154, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 354, 355, 356, 358, 359, 360, 788, 789, 790, 792,
793, 794, 772, 773, 774, 776, 777, 778,
&end
#
# 51 VAL MGX 25 VAL HN 5.50 (# 155:15 Unique 3.40, 6.16 A)
&rst
ixpk= 155, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 788, 789, 790, 792, 793, 794,
&end
#
# 49 LYS HN 25 VAL HN 5.50 (# 156:15 Unique 3.87, 3.94 A)
&rst
ixpk= 156, nxpk= 15, iat= 744, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:157 25 VAL HN 5.50 (# 157:15 Single Ambig)
&rst
ixpk= 157, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 731, 740, 733, 738,
&end
#
# 25 VAL HB 25 VAL HN 4.50 (# 158:15 Unique 2.51, 2.67 A)
&rst
ixpk= 158, nxpk= 15, iat= 368, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:159 25 VAL HN 5.50 (# 159:15 Single Ambig)
&rst
ixpk= 159, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 748, 749, 786,
&end
#
# 50 VAL MGX 25 VAL HN 4.50 (# 160:15 Unique 3.78, 5.20 A)
&rst
ixpk= 160, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 772, 773, 774, 776, 777, 778,
&end
#
# 25 VAL MGX 25 VAL HN 4.50 (# 161:15 Unique 2.57, 4.08 A)
&rst
ixpk= 161, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 370, 371, 372, 374, 375, 376,
&end
#
# 25 VAL MGY 25 VAL HN 4.50 (# 162:15 Unique 2.57, 4.08 A)
&rst
ixpk= 162, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 370, 371, 372, 374, 375, 376,
&end
#
# 24 VAL MGX 25 VAL HN 3.50 (# 163:15 Unique 2.81, 4.22 A)
&rst
ixpk= 163, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 78 VAL HB 85 ILE HN 5.50 (# 164:15 Unique 3.93, 4.14 A)
&rst
ixpk= 164, nxpk= 15, iat=1177,1281, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 VAL MGX 85 ILE HN 5.50 (# 165:15 Unique 4.58, 6.06 A)
&rst
ixpk= 165, nxpk= 15, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 15-2:166 85 ILE HN 4.50 (# 166:15 Single Ambig)
&rst
ixpk= 166, nxpk= 15, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1209,1264,
&end
#
# 86 GLY HN 85 ILE HN 4.50 (# 167:15 Unique 2.08, 2.19 A)
&rst
ixpk= 167, nxpk= 15, iat=1300,1281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 PHE HA 85 ILE HN 4.50 (# 168:15 Unique 2.60, 2.73 A)
&rst
ixpk= 168, nxpk= 15, iat=1191,1281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 ILE HA 85 ILE HN 4.50 (# 169:15 Unique 2.99, 2.99 A)
&rst
ixpk= 169, nxpk= 15, iat=1283,1281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 GLN HA 85 ILE HN 4.50 (# 170:15 Unique 2.22, 2.25 A)
&rst
ixpk= 170, nxpk= 15, iat=1266,1281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:171 85 ILE HN 3.50 (# 171:15 Single Ambig)
&rst
ixpk= 171, nxpk= 15, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1271,1272,1285,1291,1292,
&end
#
# 84 GLN HG+ 85 ILE HN 5.50 (# 172:15 Unique 2.19, 3.76 A)
&rst
ixpk= 172, nxpk= 15, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1271,1272,
&end
#
# 84 GLN HB- 85 ILE HN 5.50 (# 173:15 Unique 3.11, 4.15 A)
&rst
ixpk= 173, nxpk= 15, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1268,1269,
&end
#
# 85 ILE HG1+ 85 ILE HN 5.50 (# 174:15 Unique 2.66, 3.45 A)
&rst
ixpk= 174, nxpk= 15, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1291,1292,
&end
#
# 0 AMB 15-2:175 85 ILE HN 5.50 (# 175:15 Single Ambig)
&rst
ixpk= 175, nxpk= 15, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
1362,1363,
&end
#
# 0 AMB 15-2:176 85 ILE HN 4.50 (# 176:15 Single Ambig)
&rst
ixpk= 176, nxpk= 15, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1294,1295,1296,1287,1288,1289,
&end
#
# 66 LEU HN 0 AMB 15-1:178 3.50 (# 178:15 Single Ambig)
&rst
ixpk= 178, nxpk= 15, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 983,1012,
&end
#
# 0 AMB 15-2:179 65 ALA HN 5.50 (# 179:15 Single Ambig)
&rst
ixpk= 179, nxpk= 15, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 955, 936,
&end
#
# 68 HIS HN 67 ALA HN 4.50 (# 180:15 Unique 2.75, 2.82 A)
&rst
ixpk= 180, nxpk= 15, iat=1022,1012, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 SER HN 65 ALA HN 3.50 (# 181:15 Unique 2.75, 2.80 A)
&rst
ixpk= 181, nxpk= 15, iat= 972, 983, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:182 67 ALA HN 5.50 (# 182:15 Single Ambig)
&rst
ixpk= 182, nxpk= 15, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1077,1084,1168,1169,
&end
#
# 63 GLN HE2+ 67 ALA HN 5.50 (# 183:15 Unique 2.86, 5.07 A)
&rst
ixpk= 183, nxpk= 15, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 967, 968,
&end
#
# 64 SER HA 0 AMB 15-1:184 3.50 (# 184:15 Single Ambig)
&rst
ixpk= 184, nxpk= 15, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1012, 983,
&end
#
# 0 AMB 15-2:185 0 AMB 15-1:185 3.50 (# 185:15 Double Ambig)
&rst
ixpk= 185, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 985,1110,1111,
igr2= 983,1012,
&end
#
# 0 AMB 15-2:186 65 ALA HN 3.50 (# 186:15 Single Ambig)
&rst
ixpk= 186, nxpk= 15, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 976, 977, 938,
&end
#
# 67 ALA HA 67 ALA HN 3.50 (# 187:15 Unique 2.79, 2.83 A)
&rst
ixpk= 187, nxpk= 15, iat=1014,1012, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:188 0 AMB 15-1:188 4.50 (# 188:15 Double Ambig)
&rst
ixpk= 188, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1026,1027,1026,1027,1026,1027,1043,1044,
igr2=1012, 983,
&end
#
# 0 AMB 15-2:189 0 AMB 15-1:189 4.50 (# 189:15 Double Ambig)
&rst
ixpk= 189, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 923, 924, 959, 960, 959, 960,
igr2= 983,1012,
&end
#
# 66 LEU HB+ 67 ALA HN 4.50 (# 190:15 Unique 2.60, 3.06 A)
&rst
ixpk= 190, nxpk= 15, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 997, 998,
&end
#
# 0 AMB 15-2:191 0 AMB 15-1:191 2.50 (# 191:15 Double Ambig)
&rst
ixpk= 191, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1016,1017,1018, 987, 988, 989,
igr2=1012, 983,
&end
#
# 66 LEU HB- 67 ALA HN 4.50 (# 192:15 Unique 2.60, 3.06 A)
&rst
ixpk= 192, nxpk= 15, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 997, 998,
&end
#
# 53 LEU MDX 0 AMB 15-1:193 5.50 (# 193:15 Single Ambig)
&rst
ixpk= 193, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 822, 823, 824, 826, 827, 828,
igr2= 983,1012,
&end
#
# 0 AMB 15-2:194 0 AMB 15-1:194 5.50 (# 194:15 Double Ambig)
&rst
ixpk= 194, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 945, 946, 947, 949, 950, 951, 822, 823, 824, 826,
827, 828,
igr2= 983,1012,
&end
#
# 66 LEU MDX 67 ALA HN 4.50 (# 195:15 Unique 3.19, 5.60 A)
&rst
ixpk= 195, nxpk= 15, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 66 LEU MDY 67 ALA HN 4.50 (# 196:15 Unique 3.19, 5.60 A)
&rst
ixpk= 196, nxpk= 15, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 15-2:198 0 AMB 15-1:198 5.50 (# 198:15 Double Ambig)
&rst
ixpk= 198, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 962, 963, 926, 927,
igr2=1012, 983,
&end
#
# 0 AMB 15-2:199 65 ALA HN 5.50 (# 199:15 Single Ambig)
&rst
ixpk= 199, nxpk= 15, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 151, 152, 100, 101,
&end
#
# 7 LEU MDX 65 ALA HN 4.50 (# 200:15 Unique 3.02, 5.23 A)
&rst
ixpk= 200, nxpk= 15, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 105, 106, 107, 109, 110, 111,
&end
#
# 49 LYS HE- 50 VAL HN 5.50 (# 201:15 Unique 4.43, 5.16 A)
&rst
ixpk= 201, nxpk= 15, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 757, 758,
&end
#
# 51 VAL MGX 50 VAL HN 5.50 (# 202:15 Unique 3.95, 6.02 A)
&rst
ixpk= 202, nxpk= 15, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 788, 789, 790, 792, 793, 794,
&end
#
# 0 AMB 15-2:203 50 VAL HN 5.50 (# 203:15 Single Ambig)
&rst
ixpk= 203, nxpk= 15, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 731, 740, 733, 738,
&end
#
# 50 VAL HA 50 VAL HN 4.50 (# 204:15 Unique 2.92, 2.96 A)
&rst
ixpk= 204, nxpk= 15, iat= 768, 766, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 LYS HA 50 VAL HN 2.50 (# 205:15 Unique 2.29, 2.35 A)
&rst
ixpk= 205, nxpk= 15, iat= 746, 766, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 50 VAL HB 50 VAL HN 3.50 (# 206:15 Unique 2.67, 2.97 A)
&rst
ixpk= 206, nxpk= 15, iat= 770, 766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HB+ 50 VAL HN 4.50 (# 207:15 Unique 3.61, 3.96 A)
&rst
ixpk= 207, nxpk= 15, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 748, 749,
&end
#
# 49 LYS HB- 50 VAL HN 4.50 (# 208:15 Unique 3.61, 3.96 A)
&rst
ixpk= 208, nxpk= 15, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 748, 749,
&end
#
# 49 LYS QD 50 VAL HN 5.50 (# 209:15 Unique 2.71, 4.65 A)
&rst
ixpk= 209, nxpk= 15, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 754, 755,
&end
#
# 49 LYS HG- 50 VAL HN 4.50 (# 210:15 Unique 2.15, 2.72 A)
&rst
ixpk= 210, nxpk= 15, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 751, 752,
&end
#
# 50 VAL MGX 50 VAL HN 3.50 (# 211:15 Unique 2.49, 4.13 A)
&rst
ixpk= 211, nxpk= 15, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 772, 773, 774, 776, 777, 778,
&end
#
# 50 VAL MGY 50 VAL HN 4.50 (# 212:15 Unique 2.49, 4.13 A)
&rst
ixpk= 212, nxpk= 15, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 772, 773, 774, 776, 777, 778,
&end
#
# 25 VAL HN 50 VAL HN 5.50 (# 213:15 Unique 4.45, 4.54 A)
&rst
ixpk= 213, nxpk= 15, iat= 364, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:214 50 VAL HN 5.50 (# 214:15 Single Ambig)
&rst
ixpk= 214, nxpk= 15, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 782, 798,
&end
#
# 112 LYS HN 111 ALA HN 4.50 (# 216:15 Unique 2.13, 2.95 A)
&rst
ixpk= 216, nxpk= 15, iat=1680,1670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 THR HN 111 ALA HN 4.50 (# 219:15 Unique 2.32, 3.57 A)
&rst
ixpk= 219, nxpk= 15, iat=1656,1670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 THR HA 111 ALA HN 3.50 (# 222:15 Unique 2.19, 2.77 A)
&rst
ixpk= 222, nxpk= 15, iat=1658,1670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:223 111 ALA HN 3.50 (# 223:15 Single Ambig)
&rst
ixpk= 223, nxpk= 15, iat= -1,1670, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1660,1672,
&end
#
# 0 AMB 15-2:224 111 ALA HN 3.50 (# 224:15 Single Ambig)
&rst
ixpk= 224, nxpk= 15, iat= -1,1670, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1674,1675,1676,1687,1688,
&end
#
# 110 THR MG2 111 ALA HN 4.50 (# 225:15 Unique 3.32, 4.86 A)
&rst
ixpk= 225, nxpk= 15, iat= -1,1670, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1662,1663,1664,
&end
#
# 0 AMB 15-2:226 111 ALA HN 5.50 (# 226:15 Single Ambig)
&rst
ixpk= 226, nxpk= 15, iat= -1,1670, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1640,1641,1642,1650,1651,1652,
&end
#
# 85 ILE HN 84 GLN HN 5.50 (# 228:15 Unique 4.61, 4.63 A)
&rst
ixpk= 228, nxpk= 15, iat=1281,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:229 84 GLN HN 7.00 (# 229:15 Single Ambig)
&rst
ixpk= 229, nxpk= 15, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1276,1277,1300,
&end
#
# 85 ILE MD1 84 GLN HN 5.50 (# 230:15 Unique 4.68, 5.80 A)
&rst
ixpk= 230, nxpk= 15, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1294,1295,1296,
&end
#
# 83 LYS HN 84 GLN HN 5.50 (# 231:15 Unique 4.36, 4.42 A)
&rst
ixpk= 231, nxpk= 15, iat=1242,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 PHE HD 84 GLN HN 5.50 (# 232:15 Unique 3.32, 4.83 A)
&rst
ixpk= 232, nxpk= 15, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1197,1205,
&end
#
# 79 PHE HE 84 GLN HN 5.50 (# 233:15 Unique 3.31, 4.82 A)
&rst
ixpk= 233, nxpk= 15, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1199,1203,
&end
#
# 79 PHE HA 84 GLN HN 5.50 (# 234:15 Unique 4.53, 4.63 A)
&rst
ixpk= 234, nxpk= 15, iat=1191,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 LYS HA 84 GLN HN 2.50 (# 235:15 Unique 2.21, 2.26 A)
&rst
ixpk= 235, nxpk= 15, iat=1244,1264, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 84 GLN HA 84 GLN HN 4.50 (# 236:15 Unique 2.85, 2.87 A)
&rst
ixpk= 236, nxpk= 15, iat=1266,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 LYS QB 84 GLN HN 4.50 (# 237:15 Unique 2.61, 3.96 A)
&rst
ixpk= 237, nxpk= 15, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1246,1247,
&end
#
# 84 GLN HB+ 84 GLN HN 3.50 (# 238:15 Unique 2.19, 2.51 A)
&rst
ixpk= 238, nxpk= 15, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1268,1269,
&end
#
# 83 LYS QG 84 GLN HN 4.50 (# 239:15 Unique 2.58, 3.37 A)
&rst
ixpk= 239, nxpk= 15, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1249,1250,
&end
#
# 84 GLN HB- 84 GLN HN 3.50 (# 240:15 Unique 2.19, 2.51 A)
&rst
ixpk= 240, nxpk= 15, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1268,1269,
&end
#
# 70 THR MG2 84 GLN HN 5.50 (# 241:15 Unique 4.69, 6.28 A)
&rst
ixpk= 241, nxpk= 15, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1069,1070,1071,
&end
#
# 42 THR HN 43 GLN HN 3.50 (# 243:15 Unique 2.71, 2.80 A)
&rst
ixpk= 243, nxpk= 15, iat= 648, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 LEU HN 43 GLN HN 5.50 (# 244:15 Unique 4.06, 4.19 A)
&rst
ixpk= 244, nxpk= 15, iat= 629, 662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL HN 43 GLN HN 3.50 (# 245:15 Unique 2.76, 2.82 A)
&rst
ixpk= 245, nxpk= 15, iat= 679, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 TYR HE 43 GLN HN 5.50 (# 246:15 Unique 5.45, 7.25 A)
&rst
ixpk= 246, nxpk= 15, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 733, 738,
&end
#
# 42 THR HB 43 GLN HN 3.50 (# 247:15 Unique 2.47, 2.69 A)
&rst
ixpk= 247, nxpk= 15, iat= 652, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:248 43 GLN HN 3.50 (# 248:15 Single Ambig)
&rst
ixpk= 248, nxpk= 15, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 664, 612,
&end
#
# 43 GLN QB 43 GLN HN 2.50 (# 249:15 Unique 2.31, 2.97 A)
&rst
ixpk= 249, nxpk= 15, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 666, 667,
&end
#
# 39 GLN QB 43 GLN HN 5.50 (# 250:15 Unique 4.69, 5.27 A)
&rst
ixpk= 250, nxpk= 15, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 597, 598,
&end
#
# 0 AMB 15-2:251 43 GLN HN 5.50 (# 251:15 Single Ambig)
&rst
ixpk= 251, nxpk= 15, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 614, 615, 636,
&end
#
# 0 AMB 15-2:252 43 GLN HN 4.50 (# 252:15 Single Ambig)
&rst
ixpk= 252, nxpk= 15, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 654, 655, 656, 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 15-2:253 43 GLN HN 4.50 (# 253:15 Single Ambig)
&rst
ixpk= 253, nxpk= 15, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
690, 691, 633, 634,
&end
#
# 40 LEU MDX 43 GLN HN 5.50 (# 254:15 Unique 5.25, 7.06 A)
&rst
ixpk= 254, nxpk= 15, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 41 LEU HA 43 GLN HN 5.50 (# 256:15 Unique 4.13, 4.37 A)
&rst
ixpk= 256, nxpk= 15, iat= 631, 662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 GLN HG- 43 GLN HN 4.50 (# 257:15 Unique 2.52, 3.21 A)
&rst
ixpk= 257, nxpk= 15, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 669, 670,
&end
#
# 61 GLN HE2+ 61 GLN HN 5.50 (# 263:15 Unique 3.97, 5.04 A)
&rst
ixpk= 263, nxpk= 15, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 931, 932,
&end
#
# 60 SER HN 61 GLN HN 4.50 (# 264:15 Unique 2.78, 2.93 A)
&rst
ixpk= 264, nxpk= 15, iat= 908, 919, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 LEU HN 61 GLN HN 3.50 (# 265:15 Unique 2.39, 2.45 A)
&rst
ixpk= 265, nxpk= 15, iat= 936, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:266 61 GLN HN 5.50 (# 266:15 Single Ambig)
&rst
ixpk= 266, nxpk= 15, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 901, 972,
&end
#
# 60 SER QB 61 GLN HN 4.50 (# 268:15 Unique 2.48, 3.29 A)
&rst
ixpk= 268, nxpk= 15, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 912, 913,
&end
#
# 61 GLN HA 61 GLN HN 3.50 (# 269:15 Unique 2.88, 2.93 A)
&rst
ixpk= 269, nxpk= 15, iat= 921, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:270 61 GLN HN 3.50 (# 270:15 Single Ambig)
&rst
ixpk= 270, nxpk= 15, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 910, 976, 977,
&end
#
# 58 ASP HB- 61 GLN HN 5.50 (# 271:15 Unique 3.63, 5.14 A)
&rst
ixpk= 271, nxpk= 15, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 893, 894,
&end
#
# 61 GLN HG- 61 GLN HN 4.50 (# 272:15 Unique 2.08, 2.94 A)
&rst
ixpk= 272, nxpk= 15, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 926, 927,
&end
#
# 61 GLN HG+ 61 GLN HN 4.50 (# 273:15 Unique 2.08, 2.94 A)
&rst
ixpk= 273, nxpk= 15, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 926, 927,
&end
#
# 61 GLN HB+ 61 GLN HN 3.50 (# 274:15 Unique 2.02, 3.09 A)
&rst
ixpk= 274, nxpk= 15, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 923, 924,
&end
#
# 62 LEU HB+ 61 GLN HN 5.50 (# 275:15 Unique 4.28, 4.83 A)
&rst
ixpk= 275, nxpk= 15, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 940, 941,
&end
#
# 62 LEU MDX 61 GLN HN 5.50 (# 276:15 Unique 4.06, 6.96 A)
&rst
ixpk= 276, nxpk= 15, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 945, 946, 947, 949, 950, 951,
&end
#
# 10 ALA MB 61 GLN HN 5.50 (# 277:15 Unique 5.28, 5.91 A)
&rst
ixpk= 277, nxpk= 15, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 141, 142, 143,
&end
#
# 62 LEU MDY 61 GLN HN 5.50 (# 278:15 Unique 4.06, 6.96 A)
&rst
ixpk= 278, nxpk= 15, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 945, 946, 947, 949, 950, 951,
&end
#
# 58 ASP HA 61 GLN HN 5.50 (# 279:15 Unique 3.43, 4.01 A)
&rst
ixpk= 279, nxpk= 15, iat= 891, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 LEU HB- 61 GLN HN 5.50 (# 280:15 Unique 4.28, 4.83 A)
&rst
ixpk= 280, nxpk= 15, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 940, 941,
&end
#
# 0 AMB 15-2:281 4 LYS HN 5.50 (# 281:15 Single Ambig)
&rst
ixpk= 281, nxpk= 15, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 52, 53, 100, 101,
&end
#
# 5 GLN HN 4 LYS HN 5.50 (# 282:15 Unique 2.55, 2.83 A)
&rst
ixpk= 282, nxpk= 15, iat= 64, 42, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 SER HA 4 LYS HN 4.50 (# 284:15 Unique 2.23, 3.03 A)
&rst
ixpk= 284, nxpk= 15, iat= 33, 42, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 SER HB- 4 LYS HN 4.50 (# 285:15 Unique 2.62, 3.41 A)
&rst
ixpk= 285, nxpk= 15, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 35, 36,
&end
#
# 4 LYS HA 4 LYS HN 4.50 (# 286:15 Unique 2.74, 2.83 A)
&rst
ixpk= 286, nxpk= 15, iat= 44, 42, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 LYS HB+ 4 LYS HN 4.50 (# 287:15 Unique 2.34, 2.74 A)
&rst
ixpk= 287, nxpk= 15, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 46, 47,
&end
#
# 4 LYS HG+ 4 LYS HN 5.50 (# 288:15 Unique 2.12, 3.83 A)
&rst
ixpk= 288, nxpk= 15, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 49, 50,
&end
#
# 25 VAL HN 49 LYS HN 5.50 (# 289:15 Unique 3.87, 3.94 A)
&rst
ixpk= 289, nxpk= 15, iat= 364, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 TYR HN 49 LYS HN 5.50 (# 290:15 Unique 4.32, 4.41 A)
&rst
ixpk= 290, nxpk= 15, iat= 723, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 TYR HD 49 LYS HN 5.50 (# 291:15 Unique 3.11, 4.48 A)
&rst
ixpk= 291, nxpk= 15, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 731, 740,
&end
#
# 23 VAL HB 49 LYS HN 4.50 (# 292:15 Unique 3.54, 3.63 A)
&rst
ixpk= 292, nxpk= 15, iat= 336, 744, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 VAL MGY 49 LYS HN 4.50 (# 293:15 Unique 3.85, 5.48 A)
&rst
ixpk= 293, nxpk= 15, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 24 VAL MGX 49 LYS HN 5.50 (# 294:15 Unique 3.48, 4.92 A)
&rst
ixpk= 294, nxpk= 15, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 23 VAL HN 49 LYS HN 5.50 (# 295:15 Unique 3.69, 3.90 A)
&rst
ixpk= 295, nxpk= 15, iat= 332, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 TYR HA 49 LYS HN 3.50 (# 296:15 Unique 2.21, 2.33 A)
&rst
ixpk= 296, nxpk= 15, iat= 725, 744, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HA 49 LYS HN 4.50 (# 298:15 Unique 2.97, 2.99 A)
&rst
ixpk= 298, nxpk= 15, iat= 746, 744, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 TYR HB+ 49 LYS HN 4.50 (# 299:15 Unique 2.33, 3.12 A)
&rst
ixpk= 299, nxpk= 15, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 727, 728,
&end
#
# 48 TYR HB- 49 LYS HN 4.50 (# 300:15 Unique 2.33, 3.12 A)
&rst
ixpk= 300, nxpk= 15, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 727, 728,
&end
#
# 49 LYS HB+ 49 LYS HN 4.50 (# 301:15 Unique 2.43, 2.79 A)
&rst
ixpk= 301, nxpk= 15, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 748, 749,
&end
#
# 49 LYS HB- 49 LYS HN 4.50 (# 302:15 Unique 2.43, 2.79 A)
&rst
ixpk= 302, nxpk= 15, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 748, 749,
&end
#
# 49 LYS QD 49 LYS HN 5.50 (# 303:15 Unique 4.63, 5.08 A)
&rst
ixpk= 303, nxpk= 15, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 754, 755,
&end
#
# 0 AMB 15-2:304 49 LYS HN 4.50 (# 304:15 Single Ambig)
&rst
ixpk= 304, nxpk= 15, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 312, 313, 314, 751, 752,
&end
#
# 0 AMB 15-2:305 49 LYS HN 4.50 (# 305:15 Single Ambig)
&rst
ixpk= 305, nxpk= 15, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 354, 355, 356, 358, 359, 360, 338, 339, 340, 342,
343, 344, 772, 773, 774, 776, 777, 778,
&end
#
# 25 VAL MGY 49 LYS HN 5.50 (# 306:15 Unique 3.78, 6.31 A)
&rst
ixpk= 306, nxpk= 15, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 370, 371, 372, 374, 375, 376,
&end
#
# 34 CYS HB+ 28 LYS HN 5.50 (# 307:15 Unique 3.00, 3.57 A)
&rst
ixpk= 307, nxpk= 15, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 510, 511,
&end
#
# 30 TYR HE 28 LYS HN 7.00 (# 308:15 Unique 5.72, 7.24 A)
&rst
ixpk= 308, nxpk= 15, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 457, 462,
&end
#
# 27 SER HA 28 LYS HN 4.50 (# 309:15 Unique 2.58, 2.68 A)
&rst
ixpk= 309, nxpk= 15, iat= 402, 411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 SER HB+ 28 LYS HN 5.50 (# 311:15 Unique 1.96, 2.75 A)
&rst
ixpk= 311, nxpk= 15, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 404, 405,
&end
#
# 28 LYS HB- 28 LYS HN 5.50 (# 312:15 Unique 2.60, 3.27 A)
&rst
ixpk= 312, nxpk= 15, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 415, 416,
&end
#
# 0 AMB 15-2:313 28 LYS HN 4.50 (# 313:15 Single Ambig)
&rst
ixpk= 313, nxpk= 15, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1135,1136,1137,1139,1140,1141, 822, 823, 824, 826,
827, 828,
&end
#
# 27 SER HB- 28 LYS HN 5.50 (# 314:15 Unique 1.96, 2.75 A)
&rst
ixpk= 314, nxpk= 15, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 404, 405,
&end
#
# 31 CYS HB+ 28 LYS HN 5.50 (# 315:15 Unique 2.52, 4.45 A)
&rst
ixpk= 315, nxpk= 15, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 473, 472,
&end
#
# 102 PRO HD+ 100 LEU HN 5.50 (# 316:15 Unique 3.55, 4.38 A)
&rst
ixpk= 316, nxpk= 15, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1546,1547,
&end
#
# 102 PRO HD- 100 LEU HN 5.50 (# 317:15 Unique 3.55, 4.38 A)
&rst
ixpk= 317, nxpk= 15, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1546,1547,
&end
#
# 98 ASN HB+ 100 LEU HN 5.50 (# 318:15 Unique 5.24, 5.95 A)
&rst
ixpk= 318, nxpk= 15, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1482,1483,
&end
#
# 94 LYS HB+ 100 LEU HN 5.50 (# 319:15 Unique 2.76, 3.42 A)
&rst
ixpk= 319, nxpk= 15, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1402,1403,
&end
#
# 0 AMB 15-2:320 100 LEU HN 4.50 (# 320:15 Single Ambig)
&rst
ixpk= 320, nxpk= 15, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1514,1563,1564,
&end
#
# 101 LEU HN 100 LEU HN 4.50 (# 321:15 Unique 2.56, 2.66 A)
&rst
ixpk= 321, nxpk= 15, iat=1526,1507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 GLU HN 100 LEU HN 3.50 (# 322:15 Unique 1.89, 1.99 A)
&rst
ixpk= 322, nxpk= 15, iat=1492,1507, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 HIS HA 100 LEU HN 4.50 (# 323:15 Unique 2.77, 2.93 A)
&rst
ixpk= 323, nxpk= 15, iat=1422,1507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 ASN HA 100 LEU HN 5.50 (# 324:15 Unique 3.33, 3.59 A)
&rst
ixpk= 324, nxpk= 15, iat=1480,1507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 LEU HA 100 LEU HN 5.50 (# 325:15 Unique 2.83, 2.87 A)
&rst
ixpk= 325, nxpk= 15, iat=1509,1507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 LEU HB+ 100 LEU HN 4.50 (# 326:15 Unique 2.24, 2.53 A)
&rst
ixpk= 326, nxpk= 15, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1511,1512,
&end
#
# 0 AMB 15-2:327 100 LEU HN 4.50 (# 327:15 Single Ambig)
&rst
ixpk= 327, nxpk= 15, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1461,1462,1530,1531,1552,1553,1533,
&end
#
# 100 LEU HB- 100 LEU HN 4.50 (# 328:15 Unique 2.24, 2.53 A)
&rst
ixpk= 328, nxpk= 15, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1511,1512,
&end
#
# 0 AMB 15-2:329 100 LEU HN 4.50 (# 329:15 Single Ambig)
&rst
ixpk= 329, nxpk= 15, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
1521,1522,
&end
#
# 98 ASN HN 100 LEU HN 5.50 (# 330:15 Unique 4.02, 4.11 A)
&rst
ixpk= 330, nxpk= 15, iat=1478,1507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:331 21 ALA HN 5.50 (# 331:15 Single Ambig)
&rst
ixpk= 331, nxpk= 15, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 744, 276,
&end
#
# 0 AMB 15-2:332 21 ALA HN 5.50 (# 332:15 Single Ambig)
&rst
ixpk= 332, nxpk= 15, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 278,1237,1238,
&end
#
# 24 VAL HB 21 ALA HN 5.50 (# 333:15 Unique 5.20, 5.46 A)
&rst
ixpk= 333, nxpk= 15, iat= 352, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 VAL MGX 21 ALA HN 5.50 (# 334:15 Unique 2.96, 4.52 A)
&rst
ixpk= 334, nxpk= 15, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 20 SER HN 21 ALA HN 3.50 (# 335:15 Unique 2.64, 2.70 A)
&rst
ixpk= 335, nxpk= 15, iat= 297, 308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 SER HN 21 ALA HN 5.50 (# 336:15 Unique 4.15, 4.40 A)
&rst
ixpk= 336, nxpk= 15, iat= 286, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:338 21 ALA HN 3.50 (# 338:15 Single Ambig)
&rst
ixpk= 338, nxpk= 15, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 310, 288,
&end
#
# 20 SER HA 21 ALA HN 4.50 (# 339:15 Unique 3.42, 3.45 A)
&rst
ixpk= 339, nxpk= 15, iat= 299, 308, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 SER HB- 21 ALA HN 5.50 (# 340:15 Unique 3.32, 3.89 A)
&rst
ixpk= 340, nxpk= 15, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 301, 302,
&end
#
# 0 AMB 15-2:341 21 ALA HN 4.50 (# 341:15 Single Ambig)
&rst
ixpk= 341, nxpk= 15, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 319, 320, 319, 320,
&end
#
# 0 AMB 15-2:342 21 ALA HN 7.00 (# 342:15 Single Ambig)
&rst
ixpk= 342, nxpk= 15, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 322, 323, 336,
&end
#
# 49 LYS HB+ 21 ALA HN 5.50 (# 343:15 Unique 4.40, 4.83 A)
&rst
ixpk= 343, nxpk= 15, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 748, 749,
&end
#
# 49 LYS QD 21 ALA HN 5.50 (# 344:15 Unique 4.03, 4.71 A)
&rst
ixpk= 344, nxpk= 15, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 754, 755,
&end
#
# 21 ALA MB 21 ALA HN 3.50 (# 345:15 Unique 2.77, 3.40 A)
&rst
ixpk= 345, nxpk= 15, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 312, 313, 314,
&end
#
# 24 VAL MGY 21 ALA HN 3.50 (# 346:15 Unique 2.96, 4.52 A)
&rst
ixpk= 346, nxpk= 15, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 113 ASN HA 115 ALA HN 5.50 (# 347:15 Unique 3.12, 3.86 A)
&rst
ixpk= 347, nxpk= 15, iat=1704,1730, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 PRO HA 115 ALA HN 3.50 (# 349:15 Unique 2.49, 3.41 A)
&rst
ixpk= 349, nxpk= 15, iat=1726,1730, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 ALA HA 115 ALA HN 4.50 (# 350:15 Unique 2.23, 2.86 A)
&rst
ixpk= 350, nxpk= 15, iat=1732,1730, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 114 PRO HD+ 115 ALA HN 5.50 (# 351:15 Unique 2.56, 3.69 A)
&rst
ixpk= 351, nxpk= 15, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1717,1718,
&end
#
# 114 PRO HB- 115 ALA HN 4.50 (# 352:15 Unique 2.92, 4.01 A)
&rst
ixpk= 352, nxpk= 15, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1723,1724,
&end
#
# 114 PRO HB+ 115 ALA HN 4.50 (# 353:15 Unique 2.92, 4.01 A)
&rst
ixpk= 353, nxpk= 15, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1723,1724,
&end
#
# 115 ALA MB 115 ALA HN 3.50 (# 354:15 Unique 2.48, 3.15 A)
&rst
ixpk= 354, nxpk= 15, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1734,1735,1736,
&end
#
# 113 ASN HB- 115 ALA HN 5.50 (# 355:15 Unique 2.97, 4.50 A)
&rst
ixpk= 355, nxpk= 15, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1706,1707,
&end
#
# 34 CYS HB- 28 LYS HN 5.50 (# 356:15 Unique 3.00, 3.57 A)
&rst
ixpk= 356, nxpk= 15, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 510, 511,
&end
#
# 75 VAL HB 28 LYS HN 5.50 (# 357:15 Unique 3.28, 3.51 A)
&rst
ixpk= 357, nxpk= 15, iat=1133, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 PRO HD+ 100 LEU HN 5.50 (# 358:15 Unique 3.55, 4.38 A)
&rst
ixpk= 358, nxpk= 15, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1546,1547,
&end
#
# 95 HIS HB+ 100 LEU HN 7.00 (# 359:15 Unique 4.66, 5.25 A)
&rst
ixpk= 359, nxpk= 15, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1424,1425,
&end
#
# 8 ASP HA 9 ALA HN 4.50 (# 360:15 Unique 3.60, 3.61 A)
&rst
ixpk= 360, nxpk= 15, iat= 117, 127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:361 0 AMB 15-1:361 3.50 (# 361:15 Double Ambig)
&rst
ixpk= 361, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 129, 83,
igr2= 127, 137,
&end
#
# 8 ASP HB+ 9 ALA HN 3.50 (# 362:15 Unique 2.60, 3.36 A)
&rst
ixpk= 362, nxpk= 15, iat= -1, 127, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 119, 120,
&end
#
# 75 VAL HB 28 LYS HN 5.50 (# 363:15 Unique 3.28, 3.51 A)
&rst
ixpk= 363, nxpk= 15, iat=1133, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:364 0 AMB 15-1:364 2.50 (# 364:15 Double Ambig)
&rst
ixpk= 364, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 131, 132, 133, 418, 419,
igr2= 127, 137, 411,
&end
#
# 8 ASP HN 9 ALA HN 3.50 (# 365:15 Unique 2.72, 2.76 A)
&rst
ixpk= 365, nxpk= 15, iat= 115, 127, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:366 0 AMB 15-1:366 3.50 (# 366:15 Double Ambig)
&rst
ixpk= 366, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 473, 472, 119, 120,
igr2= 411, 127,
&end
#
# 5 GLN QG 7 LEU HN 7.00 (# 367:15 Unique 5.81, 6.57 A)
&rst
ixpk= 367, nxpk= 15, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 71, 72,
&end
#
# 4 LYS HB+ 7 LEU HN 5.50 (# 368:15 Unique 5.00, 5.55 A)
&rst
ixpk= 368, nxpk= 15, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 46, 47,
&end
#
# 8 ASP HN 7 LEU HN 3.50 (# 369:15 Unique 2.64, 2.76 A)
&rst
ixpk= 369, nxpk= 15, iat= 115, 96, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 GLU HN 7 LEU HN 3.50 (# 370:15 Unique 2.44, 2.57 A)
&rst
ixpk= 370, nxpk= 15, iat= 81, 96, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 LEU HA 7 LEU HN 3.50 (# 371:15 Unique 2.82, 2.84 A)
&rst
ixpk= 371, nxpk= 15, iat= 98, 96, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 ASP HB+ 7 LEU HN 5.50 (# 372:15 Unique 4.70, 5.04 A)
&rst
ixpk= 372, nxpk= 15, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 119, 120,
&end
#
# 0 AMB 15-2:373 7 LEU HN 5.50 (# 373:15 Single Ambig)
&rst
ixpk= 373, nxpk= 15, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 119, 120, 926, 927,
&end
#
# 0 AMB 15-2:374 7 LEU HN 4.50 (# 374:15 Single Ambig)
&rst
ixpk= 374, nxpk= 15, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 88, 89, 88, 89,
&end
#
# 6 GLU HB+ 7 LEU HN 3.50 (# 375:15 Unique 2.57, 3.22 A)
&rst
ixpk= 375, nxpk= 15, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 85, 86,
&end
#
# 7 LEU QB 7 LEU HN 2.50 (# 376:15 Unique 2.33, 2.47 A)
&rst
ixpk= 376, nxpk= 15, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 100, 101,
&end
#
# 7 LEU MDX 7 LEU HN 4.50 (# 377:15 Unique 4.53, 5.14 A)
&rst
ixpk= 377, nxpk= 15, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 105, 106, 107, 109, 110, 111,
&end
#
# 11 LEU HN 10 ALA HN 3.50 (# 378:15 Unique 2.73, 2.77 A)
&rst
ixpk= 378, nxpk= 15, iat= 147, 137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 LYS HN 0 AMB 15-1:379 5.50 (# 379:15 Single Ambig)
&rst
ixpk= 379, nxpk= 15, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 137, 127,
&end
#
# 0 AMB 15-2:380 10 ALA HN 4.50 (# 380:15 Single Ambig)
&rst
ixpk= 380, nxpk= 15, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 931, 932, 166,
&end
#
# 11 LEU HA 0 AMB 15-1:381 5.50 (# 381:15 Single Ambig)
&rst
ixpk= 381, nxpk= 15, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 137, 127,
&end
#
# 0 AMB 15-2:382 10 ALA HN 5.50 (# 382:15 Single Ambig)
&rst
ixpk= 382, nxpk= 15, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 88, 89, 923, 924,
&end
#
# 0 AMB 15-2:383 0 AMB 15-1:383 4.50 (# 383:15 Double Ambig)
&rst
ixpk= 383, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 85, 86, 923, 924, 85, 86,
igr2= 137, 127,
&end
#
# 0 AMB 15-2:384 0 AMB 15-1:384 4.50 (# 384:15 Double Ambig)
&rst
ixpk= 384, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 945, 946, 947, 949, 950, 951, 192, 193, 170, 171,
igr2= 137, 127,
&end
#
# 0 AMB 15-2:385 0 AMB 15-1:385 4.50 (# 385:15 Double Ambig)
&rst
ixpk= 385, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 151, 152, 100, 101,
igr2= 137, 127,
&end
#
# 10 ALA MB 10 ALA HN 2.50 (# 386:15 Unique 2.39, 2.87 A)
&rst
ixpk= 386, nxpk= 15, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 141, 142, 143,
&end
#
# 62 LEU MDY 10 ALA HN 5.50 (# 387:15 Unique 4.94, 6.89 A)
&rst
ixpk= 387, nxpk= 15, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 945, 946, 947, 949, 950, 951,
&end
#
# 0 AMB 15-2:388 10 ALA HN 5.50 (# 388:15 Single Ambig)
&rst
ixpk= 388, nxpk= 15, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 105, 106, 107, 109, 110, 111, 156, 157, 158, 160,
161, 162,
&end
#
# 0 AMB 15-2:389 0 AMB 15-1:389 5.50 (# 389:15 Double Ambig)
&rst
ixpk= 389, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 926, 927, 71, 72,
igr2= 137, 127,
&end
#
# 26 PHE HD 77 ASN HN 5.50 (# 390:15 Unique 4.44, 5.61 A)
&rst
ixpk= 390, nxpk= 15, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 388, 396,
&end
#
# 26 PHE HB+ 77 ASN HN 5.50 (# 391:15 Unique 3.02, 3.83 A)
&rst
ixpk= 391, nxpk= 15, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 384, 385,
&end
#
# 26 PHE HN 77 ASN HN 4.50 (# 392:15 Unique 2.92, 3.10 A)
&rst
ixpk= 392, nxpk= 15, iat= 380,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 PRO HA 77 ASN HN 3.50 (# 393:15 Unique 2.30, 2.34 A)
&rst
ixpk= 393, nxpk= 15, iat=1155,1159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 VAL HA 77 ASN HN 5.50 (# 394:15 Unique 3.88, 4.06 A)
&rst
ixpk= 394, nxpk= 15, iat= 366,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 VAL HA 77 ASN HN 4.50 (# 395:15 Unique 3.14, 3.32 A)
&rst
ixpk= 395, nxpk= 15, iat=1131,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 ASN HB+ 77 ASN HN 4.50 (# 396:15 Unique 2.62, 2.94 A)
&rst
ixpk= 396, nxpk= 15, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1163,1164,
&end
#
# 0 AMB 15-2:397 77 ASN HN 4.50 (# 397:15 Single Ambig)
&rst
ixpk= 397, nxpk= 15, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1152,1153, 384, 385,
&end
#
# 75 VAL HB 77 ASN HN 4.50 (# 398:15 Unique 4.11, 4.38 A)
&rst
ixpk= 398, nxpk= 15, iat=1133,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 PRO HB- 77 ASN HN 4.50 (# 399:15 Unique 2.66, 3.20 A)
&rst
ixpk= 399, nxpk= 15, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1152,1153,
&end
#
# 0 AMB 15-2:400 77 ASN HN 4.50 (# 400:15 Single Ambig)
&rst
ixpk= 400, nxpk= 15, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
1184,1185,
&end
#
# 77 ASN HA 77 ASN HN 4.50 (# 401:15 Unique 2.97, 2.98 A)
&rst
ixpk= 401, nxpk= 15, iat=1161,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ALA HA 14 ALA HN 4.50 (# 403:15 Unique 3.81, 3.91 A)
&rst
ixpk= 403, nxpk= 15, iat= 139, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:404 14 ALA HN 5.50 (# 404:15 Single Ambig)
&rst
ixpk= 404, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 168, 222,
&end
#
# 0 AMB 15-2:405 14 ALA HN 5.50 (# 405:15 Single Ambig)
&rst
ixpk= 405, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 246, 247, 249, 250,
&end
#
# 15 LYS HG- 14 ALA HN 5.50 (# 406:15 Unique 4.79, 5.70 A)
&rst
ixpk= 406, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 227, 228,
&end
#
# 11 LEU HN 14 ALA HN 5.50 (# 407:15 Unique 4.55, 4.60 A)
&rst
ixpk= 407, nxpk= 15, iat= 147, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 LYS HN 14 ALA HN 4.50 (# 408:15 Unique 2.79, 2.86 A)
&rst
ixpk= 408, nxpk= 15, iat= 220, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 LYS HN 14 ALA HN 3.50 (# 409:15 Unique 2.76, 2.82 A)
&rst
ixpk= 409, nxpk= 15, iat= 188, 210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 LYS HN 14 ALA HN 5.50 (# 410:15 Unique 4.10, 4.19 A)
&rst
ixpk= 410, nxpk= 15, iat= 166, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LYS HA 14 ALA HN 4.50 (# 411:15 Unique 3.61, 3.62 A)
&rst
ixpk= 411, nxpk= 15, iat= 190, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:412 14 ALA HN 3.50 (# 412:15 Single Ambig)
&rst
ixpk= 412, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 212, 149,
&end
#
# 13 LYS HB+ 14 ALA HN 4.50 (# 413:15 Unique 2.61, 3.37 A)
&rst
ixpk= 413, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 192, 193,
&end
#
# 0 AMB 15-2:414 14 ALA HN 4.50 (# 414:15 Single Ambig)
&rst
ixpk= 414, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 192, 193, 945, 946, 947, 949, 950, 951,
&end
#
# 0 AMB 15-2:415 14 ALA HN 4.50 (# 415:15 Single Ambig)
&rst
ixpk= 415, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 198, 199, 151, 152,
&end
#
# 14 ALA MB 14 ALA HN 2.50 (# 416:15 Unique 2.45, 2.91 A)
&rst
ixpk= 416, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 214, 215, 216,
&end
#
# 13 LYS HG+ 14 ALA HN 4.50 (# 417:15 Unique 3.72, 4.40 A)
&rst
ixpk= 417, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 195, 196,
&end
#
# 0 AMB 15-2:418 14 ALA HN 3.50 (# 418:15 Single Ambig)
&rst
ixpk= 418, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 945, 946, 947, 949, 950, 951, 266, 267, 268, 270,
271, 272,
&end
#
# 110 THR MG2 46 ALA HN 5.50 (# 420:15 Unique 3.30, 4.49 A)
&rst
ixpk= 420, nxpk= 15, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1662,1663,1664,
&end
#
# 41 LEU MDX 46 ALA HN 5.50 (# 421:15 Unique 4.69, 6.38 A)
&rst
ixpk= 421, nxpk= 15, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 47 SER HN 46 ALA HN 4.50 (# 422:15 Unique 4.53, 4.57 A)
&rst
ixpk= 422, nxpk= 15, iat= 712, 702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 GLY HN 46 ALA HN 3.50 (# 423:15 Unique 2.30, 2.56 A)
&rst
ixpk= 423, nxpk= 15, iat= 695, 702, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:424 46 ALA HN 5.50 (# 424:15 Single Ambig)
&rst
ixpk= 424, nxpk= 15, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 731, 740, 733, 738,
&end
#
# 46 ALA HA 46 ALA HN 4.50 (# 425:15 Unique 2.88, 2.91 A)
&rst
ixpk= 425, nxpk= 15, iat= 704, 702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 THR HA 46 ALA HN 4.50 (# 426:15 Unique 3.57, 3.77 A)
&rst
ixpk= 426, nxpk= 15, iat= 650, 702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 GLY HA+ 46 ALA HN 3.50 (# 427:15 Unique 2.85, 3.29 A)
&rst
ixpk= 427, nxpk= 15, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 697, 698,
&end
#
# 45 GLY HA- 46 ALA HN 3.50 (# 428:15 Unique 2.85, 3.29 A)
&rst
ixpk= 428, nxpk= 15, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 697, 698,
&end
#
# 0 AMB 15-2:429 46 ALA HN 5.50 (# 429:15 Single Ambig)
&rst
ixpk= 429, nxpk= 15, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 683, 727, 728,
&end
#
# 46 ALA MB 46 ALA HN 2.50 (# 430:15 Unique 2.40, 2.90 A)
&rst
ixpk= 430, nxpk= 15, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 706, 707, 708,
&end
#
# 0 AMB 15-2:431 46 ALA HN 5.50 (# 431:15 Single Ambig)
&rst
ixpk= 431, nxpk= 15, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 338, 339, 340, 342, 343, 344,1535,1536,1537,1539,
1540,1541,
&end
#
# 44 VAL MGX 46 ALA HN 3.50 (# 432:15 Unique 2.30, 4.66 A)
&rst
ixpk= 432, nxpk= 15, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 685, 686, 687, 689, 690, 691,
&end
#
# 0 AMB 15-2:433 18 ALA HN 5.50 (# 433:15 Single Ambig)
&rst
ixpk= 433, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 242, 220,
&end
#
# 0 AMB 15-2:434 18 ALA HN 5.50 (# 434:15 Single Ambig)
&rst
ixpk= 434, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 290, 291, 190,
&end
#
# 17 LEU HN 18 ALA HN 3.50 (# 435:15 Unique 2.78, 2.81 A)
&rst
ixpk= 435, nxpk= 15, iat= 257, 276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:436 18 ALA HN 5.50 (# 436:15 Single Ambig)
&rst
ixpk= 436, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 297,1052,
&end
#
# 26 PHE HZ 18 ALA HN 4.50 (# 437:15 Unique 2.51, 2.59 A)
&rst
ixpk= 437, nxpk= 15, iat= 392, 276, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 SER HN 18 ALA HN 4.50 (# 438:15 Unique 2.78, 2.83 A)
&rst
ixpk= 438, nxpk= 15, iat= 286, 276, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:439 18 ALA HN 4.50 (# 439:15 Single Ambig)
&rst
ixpk= 439, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 259, 212, 244,
&end
#
# 0 AMB 15-2:440 18 ALA HN 3.50 (# 440:15 Single Ambig)
&rst
ixpk= 440, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 278, 222,
&end
#
# 17 LEU HB+ 18 ALA HN 4.50 (# 441:15 Unique 2.50, 2.98 A)
&rst
ixpk= 441, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 261, 262,
&end
#
# 17 LEU MDY 18 ALA HN 5.50 (# 442:15 Unique 4.81, 5.66 A)
&rst
ixpk= 442, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 266, 267, 268, 270, 271, 272,
&end
#
# 0 AMB 15-2:443 18 ALA HN 5.50 (# 443:15 Single Ambig)
&rst
ixpk= 443, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 214, 215, 216, 224, 225,
&end
#
# 17 LEU HB- 18 ALA HN 4.50 (# 444:15 Unique 2.50, 2.98 A)
&rst
ixpk= 444, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 261, 262,
&end
#
# 18 ALA MB 18 ALA HN 2.50 (# 445:15 Unique 2.44, 2.85 A)
&rst
ixpk= 445, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 280, 281, 282,
&end
#
# 24 VAL MGX 18 ALA HN 5.50 (# 446:15 Unique 3.81, 5.26 A)
&rst
ixpk= 446, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 69 TRP HZ3 18 ALA HN 5.50 (# 447:15 Unique 4.15, 4.45 A)
&rst
ixpk= 447, nxpk= 15, iat=1056, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:448 40 LEU HN 4.50 (# 448:15 Single Ambig)
&rst
ixpk= 448, nxpk= 15, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 600, 601, 666, 667,
&end
#
# 42 THR HN 40 LEU HN 5.50 (# 449:15 Unique 4.05, 4.11 A)
&rst
ixpk= 449, nxpk= 15, iat= 648, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:450 40 LEU HN 3.50 (# 450:15 Single Ambig)
&rst
ixpk= 450, nxpk= 15, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 593, 629,
&end
#
# 0 AMB 15-2:451 40 LEU HN 3.50 (# 451:15 Single Ambig)
&rst
ixpk= 451, nxpk= 15, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 612, 533,
&end
#
# 37 VAL HA 40 LEU HN 4.50 (# 452:15 Unique 3.23, 3.35 A)
&rst
ixpk= 452, nxpk= 15, iat= 557, 610, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 LYS HA 40 LEU HN 5.50 (# 453:15 Unique 4.50, 4.57 A)
&rst
ixpk= 453, nxpk= 15, iat= 573, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:454 40 LEU HN 5.50 (# 454:15 Single Ambig)
&rst
ixpk= 454, nxpk= 15, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 669, 670, 600, 601,
&end
#
# 39 GLN QB 40 LEU HN 3.50 (# 455:15 Unique 2.57, 3.26 A)
&rst
ixpk= 455, nxpk= 15, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 597, 598,
&end
#
# 38 LYS HB- 40 LEU HN 5.50 (# 456:15 Unique 4.95, 5.40 A)
&rst
ixpk= 456, nxpk= 15, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 575, 576,
&end
#
# 40 LEU QB 40 LEU HN 2.50 (# 457:15 Unique 2.28, 2.47 A)
&rst
ixpk= 457, nxpk= 15, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 614, 615,
&end
#
# 40 LEU MDY 40 LEU HN 4.50 (# 458:15 Unique 4.39, 5.08 A)
&rst
ixpk= 458, nxpk= 15, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 15-2:459 40 LEU HN 5.50 (# 459:15 Single Ambig)
&rst
ixpk= 459, nxpk= 15, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 561, 562, 563, 565, 566, 567,1373,1374,1375,1377,
1378,1379,
&end
#
# 0 AMB 15-2:460 40 LEU HN 4.50 (# 460:15 Single Ambig)
&rst
ixpk= 460, nxpk= 15, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 633, 634, 561, 562, 563, 565, 566, 567,1357,1358,
1359,1361,1362,1363,1357,1358,1359,1361,1362,1363,
&end
#
# 40 LEU MDX 40 LEU HN 5.50 (# 461:15 Unique 4.39, 5.08 A)
&rst
ixpk= 461, nxpk= 15, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 40 LEU HG 40 LEU HN 5.50 (# 462:15 Unique 4.51, 4.55 A)
&rst
ixpk= 462, nxpk= 15, iat= 617, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LEU MDY 40 LEU HN 5.50 (# 463:15 Unique 4.42, 6.61 A)
&rst
ixpk= 463, nxpk= 15, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 43 GLN HN 40 LEU HN 5.50 (# 464:15 Unique 4.69, 4.75 A)
&rst
ixpk= 464, nxpk= 15, iat= 662, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 PRO HD+ 101 LEU HN 4.50 (# 466:15 Unique 2.43, 2.94 A)
&rst
ixpk= 466, nxpk= 15, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1546,1547,
&end
#
# 100 LEU HN 101 LEU HN 4.50 (# 467:15 Unique 2.56, 2.66 A)
&rst
ixpk= 467, nxpk= 15, iat=1507,1526, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 LEU HA 101 LEU HN 5.50 (# 468:15 Unique 3.58, 3.60 A)
&rst
ixpk= 468, nxpk= 15, iat=1509,1526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 LEU HA 101 LEU HN 4.50 (# 469:15 Unique 2.80, 2.83 A)
&rst
ixpk= 469, nxpk= 15, iat=1528,1526, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 PRO HD- 101 LEU HN 4.50 (# 470:15 Unique 2.43, 2.94 A)
&rst
ixpk= 470, nxpk= 15, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1546,1547,
&end
#
# 100 LEU HB+ 101 LEU HN 5.50 (# 471:15 Unique 2.56, 3.28 A)
&rst
ixpk= 471, nxpk= 15, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1511,1512,
&end
#
# 101 LEU QB 101 LEU HN 3.50 (# 472:15 Unique 2.13, 2.62 A)
&rst
ixpk= 472, nxpk= 15, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1530,1531,
&end
#
# 101 LEU MDX 101 LEU HN 5.50 (# 473:15 Unique 2.62, 4.97 A)
&rst
ixpk= 473, nxpk= 15, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1535,1536,1537,1539,1540,1541,
&end
#
# 0 AMB 15-2:474 101 LEU HN 5.50 (# 474:15 Single Ambig)
&rst
ixpk= 474, nxpk= 15, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1=1587,1588,1589,1591,1592,1593,1516,1517,1518,1520,
1521,1522,1585,
&end
#
# 0 AMB 15-2:475 101 LEU HN 5.50 (# 475:15 Single Ambig)
&rst
ixpk= 475, nxpk= 15, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1514,1563,1564,
&end
#
# 97 ARG HG- 96 GLN HN 5.50 (# 476:15 Unique 4.65, 5.47 A)
&rst
ixpk= 476, nxpk= 15, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1461,1462,
&end
#
# 95 HIS HN 96 GLN HN 3.50 (# 477:15 Unique 2.66, 2.71 A)
&rst
ixpk= 477, nxpk= 15, iat=1420,1437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 ASN HN 96 GLN HN 5.50 (# 478:15 Unique 3.98, 4.04 A)
&rst
ixpk= 478, nxpk= 15, iat=1478,1437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:479 96 GLN HN 4.50 (# 479:15 Single Ambig)
&rst
ixpk= 479, nxpk= 15, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1449,1450,1454,
&end
#
# 96 GLN HA 96 GLN HN 3.50 (# 480:15 Unique 2.81, 2.84 A)
&rst
ixpk= 480, nxpk= 15, iat=1439,1437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 HIS HB- 96 GLN HN 4.50 (# 481:15 Unique 2.51, 3.29 A)
&rst
ixpk= 481, nxpk= 15, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1424,1425,
&end
#
# 96 GLN HG+ 96 GLN HN 4.50 (# 482:15 Unique 2.27, 3.03 A)
&rst
ixpk= 482, nxpk= 15, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1444,1445,
&end
#
# 96 GLN HB+ 96 GLN HN 3.50 (# 483:15 Unique 2.35, 3.03 A)
&rst
ixpk= 483, nxpk= 15, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1441,1442,
&end
#
# 96 GLN HB- 96 GLN HN 3.50 (# 484:15 Unique 2.35, 3.03 A)
&rst
ixpk= 484, nxpk= 15, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1441,1442,
&end
#
# 0 AMB 15-2:485 96 GLN HN 5.50 (# 485:15 Single Ambig)
&rst
ixpk= 485, nxpk= 15, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1461,1462,1458,1459,
&end
#
# 92 VAL MGX 96 GLN HN 5.50 (# 486:15 Unique 4.49, 6.01 A)
&rst
ixpk= 486, nxpk= 15, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1373,1374,1375,1377,1378,1379,
&end
#
# 95 HIS HA 96 GLN HN 4.50 (# 487:15 Unique 3.61, 3.63 A)
&rst
ixpk= 487, nxpk= 15, iat=1422,1437, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 ARG HA 96 GLN HN 5.50 (# 488:15 Unique 5.39, 5.42 A)
&rst
ixpk= 488, nxpk= 15, iat=1456,1437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 GLU HA 96 GLN HN 4.50 (# 489:15 Unique 3.14, 3.42 A)
&rst
ixpk= 489, nxpk= 15, iat=1385,1437, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 HIS HB+ 96 GLN HN 4.50 (# 490:15 Unique 2.51, 3.29 A)
&rst
ixpk= 490, nxpk= 15, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1424,1425,
&end
#
# 96 GLN HG- 96 GLN HN 4.50 (# 491:15 Unique 2.27, 3.03 A)
&rst
ixpk= 491, nxpk= 15, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1444,1445,
&end
#
# 100 LEU MDY 96 GLN HN 7.00 (# 492:15 Unique 5.55, 7.36 A)
&rst
ixpk= 492, nxpk= 15, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1516,1517,1518,1520,1521,1522,
&end
#
# 53 LEU MDX 27 SER HN 5.50 (# 493:15 Unique 2.38, 4.69 A)
&rst
ixpk= 493, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 15-2:494 27 SER HN 5.50 (# 494:15 Single Ambig)
&rst
ixpk= 494, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 782, 798,
&end
#
# 26 PHE HD 27 SER HN 5.50 (# 495:15 Unique 4.18, 5.20 A)
&rst
ixpk= 495, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 388, 396,
&end
#
# 27 SER HB+ 27 SER HN 5.50 (# 497:15 Unique 2.58, 3.42 A)
&rst
ixpk= 497, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 404, 405,
&end
#
# 27 SER HB- 27 SER HN 5.50 (# 498:15 Unique 2.58, 3.42 A)
&rst
ixpk= 498, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 404, 405,
&end
#
# 0 AMB 15-2:499 27 SER HN 5.50 (# 499:15 Single Ambig)
&rst
ixpk= 499, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 805, 806, 368, 802, 803,
&end
#
# 51 VAL MGX 27 SER HN 5.50 (# 500:15 Unique 4.30, 5.65 A)
&rst
ixpk= 500, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 788, 789, 790, 792, 793, 794,
&end
#
# 53 LEU HN 27 SER HN 5.50 (# 501:15 Unique 2.84, 2.99 A)
&rst
ixpk= 501, nxpk= 15, iat= 813, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 SER HA 27 SER HN 4.50 (# 502:15 Unique 2.91, 2.95 A)
&rst
ixpk= 502, nxpk= 15, iat= 402, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 PHE HA 27 SER HN 3.50 (# 503:15 Unique 2.16, 2.22 A)
&rst
ixpk= 503, nxpk= 15, iat= 382, 400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 PHE HB+ 27 SER HN 5.50 (# 504:15 Unique 3.13, 3.78 A)
&rst
ixpk= 504, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 384, 385,
&end
#
# 26 PHE HB- 27 SER HN 5.50 (# 505:15 Unique 3.13, 3.78 A)
&rst
ixpk= 505, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 384, 385,
&end
#
# 53 LEU HG 27 SER HN 5.50 (# 506:15 Unique 2.79, 4.19 A)
&rst
ixpk= 506, nxpk= 15, iat= 820, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 VAL HB 27 SER HN 5.50 (# 507:15 Unique 3.32, 3.60 A)
&rst
ixpk= 507, nxpk= 15, iat= 786, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:508 27 SER HN 4.50 (# 508:15 Single Ambig)
&rst
ixpk= 508, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 822, 823, 824, 826, 827, 828,1135,1136,1137,1139,
1140,1141,
&end
#
# 0 AMB 15-2:510 113 ASN HN 7.00 (# 510:15 Single Ambig)
&rst
ixpk= 510, nxpk= 15, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1726,1658,
&end
#
# 114 PRO HD- 113 ASN HN 5.50 (# 511:15 Unique 2.47, 4.25 A)
&rst
ixpk= 511, nxpk= 15, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1717,1718,
&end
#
# 84 GLN HE2- 72 ARG HN 5.50 (# 516:15 Unique 3.28, 5.90 A)
&rst
ixpk= 516, nxpk= 15, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1276,1277,
&end
#
# 77 ASN HD2- 72 ARG HN 5.50 (# 517:15 Unique 3.59, 4.19 A)
&rst
ixpk= 517, nxpk= 15, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1168,1169,
&end
#
# 72 ARG HA 72 ARG HN 4.50 (# 519:15 Unique 2.94, 2.97 A)
&rst
ixpk= 519, nxpk= 15, iat=1086,1084, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ALA HA 72 ARG HN 3.50 (# 520:15 Unique 2.83, 3.18 A)
&rst
ixpk= 520, nxpk= 15, iat=1014,1084, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 THR HN 72 ARG HN 4.50 (# 521:15 Unique 3.37, 3.61 A)
&rst
ixpk= 521, nxpk= 15, iat=1063,1084, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 GLY HA+ 72 ARG HN 3.50 (# 522:15 Unique 3.12, 3.35 A)
&rst
ixpk= 522, nxpk= 15, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1079,1080,
&end
#
# 70 THR HB 72 ARG HN 5.50 (# 523:15 Unique 3.07, 3.41 A)
&rst
ixpk= 523, nxpk= 15, iat=1067,1084, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ARG HB+ 72 ARG HN 4.50 (# 524:15 Unique 2.39, 3.02 A)
&rst
ixpk= 524, nxpk= 15, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1088,1089,
&end
#
# 0 AMB 15-2:525 72 ARG HN 3.50 (# 525:15 Single Ambig)
&rst
ixpk= 525, nxpk= 15, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1088,1089,1091,1092,
&end
#
# 70 THR MG2 72 ARG HN 4.50 (# 526:15 Unique 4.65, 4.98 A)
&rst
ixpk= 526, nxpk= 15, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1069,1070,1071,
&end
#
# 60 SER HN 62 LEU HN 5.50 (# 528:15 Unique 4.08, 4.22 A)
&rst
ixpk= 528, nxpk= 15, iat= 908, 936, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 GLN HN 62 LEU HN 3.50 (# 530:15 Unique 2.39, 2.45 A)
&rst
ixpk= 530, nxpk= 15, iat= 919, 936, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 LEU HA 62 LEU HN 4.50 (# 531:15 Unique 2.83, 2.85 A)
&rst
ixpk= 531, nxpk= 15, iat= 938, 936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 GLY HA+ 62 LEU HN 5.50 (# 532:15 Unique 3.28, 4.15 A)
&rst
ixpk= 532, nxpk= 15, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 903, 904,
&end
#
# 58 ASP HB- 62 LEU HN 5.50 (# 533:15 Unique 4.05, 4.95 A)
&rst
ixpk= 533, nxpk= 15, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 893, 894,
&end
#
# 61 GLN HG+ 62 LEU HN 4.50 (# 534:15 Unique 2.33, 4.51 A)
&rst
ixpk= 534, nxpk= 15, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 926, 927,
&end
#
# 61 GLN HB+ 62 LEU HN 3.50 (# 535:15 Unique 2.57, 3.42 A)
&rst
ixpk= 535, nxpk= 15, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 923, 924,
&end
#
# 62 LEU HB+ 62 LEU HN 3.50 (# 536:15 Unique 2.10, 2.62 A)
&rst
ixpk= 536, nxpk= 15, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 940, 941,
&end
#
# 62 LEU MDX 62 LEU HN 3.50 (# 537:15 Unique 2.40, 4.70 A)
&rst
ixpk= 537, nxpk= 15, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 945, 946, 947, 949, 950, 951,
&end
#
# 10 ALA MB 62 LEU HN 4.50 (# 538:15 Unique 3.78, 4.57 A)
&rst
ixpk= 538, nxpk= 15, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 141, 142, 143,
&end
#
# 62 LEU HB- 62 LEU HN 4.50 (# 539:15 Unique 2.10, 2.62 A)
&rst
ixpk= 539, nxpk= 15, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 940, 941,
&end
#
# 62 LEU MDY 62 LEU HN 4.50 (# 540:15 Unique 2.40, 4.70 A)
&rst
ixpk= 540, nxpk= 15, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 945, 946, 947, 949, 950, 951,
&end
#
# 112 LYS HN 113 ASN HN 4.50 (# 541:15 Unique 2.25, 2.74 A)
&rst
ixpk= 541, nxpk= 15, iat=1680,1702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 ASN HA 113 ASN HN 4.50 (# 542:15 Unique 2.24, 2.88 A)
&rst
ixpk= 542, nxpk= 15, iat=1704,1702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:544 113 ASN HN 3.50 (# 544:15 Single Ambig)
&rst
ixpk= 544, nxpk= 15, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1682,1672,
&end
#
# 113 ASN HB- 113 ASN HN 4.50 (# 545:15 Unique 2.24, 3.02 A)
&rst
ixpk= 545, nxpk= 15, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1706,1707,
&end
#
# 113 ASN HB+ 113 ASN HN 4.50 (# 546:15 Unique 2.24, 3.02 A)
&rst
ixpk= 546, nxpk= 15, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1706,1707,
&end
#
# 0 AMB 15-2:547 113 ASN HN 4.50 (# 547:15 Single Ambig)
&rst
ixpk= 547, nxpk= 15, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1684,1685,1684,1685,
&end
#
# 0 AMB 15-2:548 113 ASN HN 4.50 (# 548:15 Single Ambig)
&rst
ixpk= 548, nxpk= 15, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1687,1688,1674,1675,1676,
&end
#
# 105 GLN HN 106 ASP HN 3.50 (# 549:15 Unique 2.63, 2.70 A)
&rst
ixpk= 549, nxpk= 15, iat=1597,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 ALA HN 106 ASP HN 3.50 (# 550:15 Unique 2.67, 2.73 A)
&rst
ixpk= 550, nxpk= 15, iat=1626,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 LEU HN 106 ASP HN 5.50 (# 551:15 Unique 4.63, 4.69 A)
&rst
ixpk= 551, nxpk= 15, iat=1559,1614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ASP HA 106 ASP HN 3.50 (# 552:15 Unique 2.82, 2.85 A)
&rst
ixpk= 552, nxpk= 15, iat=1616,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 GLN HA 106 ASP HN 3.50 (# 553:15 Unique 3.55, 3.57 A)
&rst
ixpk= 553, nxpk= 15, iat=1599,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 ASP HB- 106 ASP HN 3.50 (# 554:15 Unique 2.34, 2.50 A)
&rst
ixpk= 554, nxpk= 15, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1618,1619,
&end
#
# 0 AMB 15-2:555 106 ASP HN 4.50 (# 555:15 Single Ambig)
&rst
ixpk= 555, nxpk= 15, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1604,1605,1552,1553,
&end
#
# 105 GLN HB+ 106 ASP HN 3.50 (# 556:15 Unique 2.51, 3.08 A)
&rst
ixpk= 556, nxpk= 15, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1601,1602,
&end
#
# 105 GLN HB- 106 ASP HN 3.50 (# 557:15 Unique 2.51, 3.08 A)
&rst
ixpk= 557, nxpk= 15, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1601,1602,
&end
#
# 0 AMB 15-2:558 106 ASP HN 4.50 (# 558:15 Single Ambig)
&rst
ixpk= 558, nxpk= 15, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1630,1631,1632,1563,1564,1640,1641,1642,
&end
#
# 8 ASP HB+ 6 GLU HN 5.50 (# 559:15 Unique 5.00, 5.62 A)
&rst
ixpk= 559, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 119, 120,
&end
#
# 5 GLN HN 6 GLU HN 4.50 (# 560:15 Unique 2.52, 2.66 A)
&rst
ixpk= 560, nxpk= 15, iat= 64, 81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 LEU HN 6 GLU HN 3.50 (# 561:15 Unique 2.44, 2.57 A)
&rst
ixpk= 561, nxpk= 15, iat= 96, 81, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 SER HA 6 GLU HN 5.50 (# 563:15 Unique 2.98, 3.90 A)
&rst
ixpk= 563, nxpk= 15, iat= 33, 81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:564 6 GLU HN 3.50 (# 564:15 Single Ambig)
&rst
ixpk= 564, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 83, 44,
&end
#
# 5 GLN QG 6 GLU HN 5.50 (# 565:15 Unique 3.97, 4.75 A)
&rst
ixpk= 565, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 71, 72,
&end
#
# 0 AMB 15-2:566 6 GLU HN 3.50 (# 566:15 Single Ambig)
&rst
ixpk= 566, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 88, 89, 88, 89,
&end
#
# 6 GLU HB- 6 GLU HN 3.50 (# 567:15 Unique 2.28, 2.95 A)
&rst
ixpk= 567, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 85, 86,
&end
#
# 0 AMB 15-2:568 6 GLU HN 3.50 (# 568:15 Single Ambig)
&rst
ixpk= 568, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 85, 86, 68, 69,
&end
#
# 4 LYS HB- 6 GLU HN 5.50 (# 569:15 Unique 4.99, 5.54 A)
&rst
ixpk= 569, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 46, 47,
&end
#
# 0 AMB 15-2:570 6 GLU HN 5.50 (# 570:15 Single Ambig)
&rst
ixpk= 570, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 100, 101, 52, 53,
&end
#
# 0 AMB 15-2:571 6 GLU HN 4.50 (# 571:15 Single Ambig)
&rst
ixpk= 571, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 131, 132, 133, 49, 50,
&end
#
# 107 ALA MB 81 GLY HN 4.50 (# 572:15 Unique 2.55, 3.50 A)
&rst
ixpk= 572, nxpk= 15, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1630,1631,1632,
&end
#
# 82 GLY HN 81 GLY HN 5.50 (# 573:15 Unique 2.75, 2.80 A)
&rst
ixpk= 573, nxpk= 15, iat=1235,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ILE HA 81 GLY HN 3.50 (# 574:15 Unique 2.21, 2.24 A)
&rst
ixpk= 574, nxpk= 15, iat=1211,1228, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 GLY HA+ 81 GLY HN 4.50 (# 575:15 Unique 2.28, 2.55 A)
&rst
ixpk= 575, nxpk= 15, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1230,1231,
&end
#
# 81 GLY HA- 81 GLY HN 4.50 (# 576:15 Unique 2.28, 2.55 A)
&rst
ixpk= 576, nxpk= 15, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1230,1231,
&end
#
# 23 VAL MGX 81 GLY HN 5.50 (# 577:15 Unique 3.79, 5.50 A)
&rst
ixpk= 577, nxpk= 15, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 80 ILE MG2 81 GLY HN 4.50 (# 578:15 Unique 2.56, 3.24 A)
&rst
ixpk= 578, nxpk= 15, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1215,1216,1217,
&end
#
# 7 LEU HN 8 ASP HN 3.50 (# 580:15 Unique 2.64, 2.76 A)
&rst
ixpk= 580, nxpk= 15, iat= 96, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 LEU MDX 8 ASP HN 5.50 (# 581:15 Unique 3.28, 5.31 A)
&rst
ixpk= 581, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 105, 106, 107, 109, 110, 111,
&end
#
# 91 VAL HN 93 GLU HN 5.50 (# 582:15 Unique 4.21, 4.28 A)
&rst
ixpk= 582, nxpk= 15, iat=1351,1383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 ASP HA 93 GLU HN 5.50 (# 583:15 Unique 3.74, 3.83 A)
&rst
ixpk= 583, nxpk= 15, iat=1327,1383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 GLU HA 93 GLU HN 3.50 (# 584:15 Unique 2.82, 2.84 A)
&rst
ixpk= 584, nxpk= 15, iat=1385,1383, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:585 93 GLU HN 5.50 (# 585:15 Single Ambig)
&rst
ixpk= 585, nxpk= 15, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1444,1445,1329,1330,
&end
#
# 0 AMB 15-2:586 93 GLU HN 3.50 (# 586:15 Single Ambig)
&rst
ixpk= 586, nxpk= 15, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1387,1388,1371,
&end
#
# 90 THR HA 93 GLU HN 4.50 (# 587:15 Unique 3.59, 3.67 A)
&rst
ixpk= 587, nxpk= 15, iat=1339,1383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 VAL HA 93 GLU HN 5.50 (# 588:15 Unique 3.60, 3.64 A)
&rst
ixpk= 588, nxpk= 15, iat=1369,1383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:589 93 GLU HN 4.50 (# 589:15 Single Ambig)
&rst
ixpk= 589, nxpk= 15, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1390,1391,1441,1442,
&end
#
# 92 VAL MGX 93 GLU HN 4.50 (# 590:15 Unique 2.58, 4.57 A)
&rst
ixpk= 590, nxpk= 15, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1373,1374,1375,1377,1378,1379,
&end
#
# 0 AMB 15-2:591 93 GLU HN 5.50 (# 591:15 Single Ambig)
&rst
ixpk= 591, nxpk= 15, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1337,1307,
&end
#
# 36 ARG HA 38 LYS HN 5.50 (# 594:15 Unique 4.57, 4.67 A)
&rst
ixpk= 594, nxpk= 15, iat= 533, 571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LYS HD- 38 LYS HN 5.50 (# 595:15 Unique 3.55, 4.11 A)
&rst
ixpk= 595, nxpk= 15, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 581, 582,
&end
#
# 38 LYS HD+ 38 LYS HN 4.50 (# 596:15 Unique 3.55, 4.11 A)
&rst
ixpk= 596, nxpk= 15, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 581, 582,
&end
#
# 38 LYS HG+ 38 LYS HN 4.50 (# 597:15 Unique 2.20, 2.92 A)
&rst
ixpk= 597, nxpk= 15, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 578, 579,
&end
#
# 37 VAL HN 38 LYS HN 4.50 (# 598:15 Unique 2.74, 2.81 A)
&rst
ixpk= 598, nxpk= 15, iat= 555, 571, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:599 38 LYS HN 5.50 (# 599:15 Single Ambig)
&rst
ixpk= 599, nxpk= 15, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 733, 738, 731, 740,
&end
#
# 35 ASN HA 38 LYS HN 5.50 (# 600:15 Unique 3.34, 3.54 A)
&rst
ixpk= 600, nxpk= 15, iat= 519, 571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:601 38 LYS HN 5.50 (# 601:15 Single Ambig)
&rst
ixpk= 601, nxpk= 15, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 508, 595,
&end
#
# 0 AMB 15-2:602 38 LYS HN 5.50 (# 602:15 Single Ambig)
&rst
ixpk= 602, nxpk= 15, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 557, 510, 511,
&end
#
# 38 LYS HA 38 LYS HN 4.50 (# 603:15 Unique 2.80, 2.82 A)
&rst
ixpk= 603, nxpk= 15, iat= 573, 571, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:604 38 LYS HN 3.50 (# 604:15 Single Ambig)
&rst
ixpk= 604, nxpk= 15, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 575, 576, 559,
&end
#
# 37 VAL MGY 38 LYS HN 5.50 (# 605:15 Unique 3.35, 4.51 A)
&rst
ixpk= 605, nxpk= 15, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 561, 562, 563, 565, 566, 567,
&end
#
# 37 VAL MGX 38 LYS HN 4.50 (# 606:15 Unique 3.35, 4.51 A)
&rst
ixpk= 606, nxpk= 15, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 561, 562, 563, 565, 566, 567,
&end
#
# 0 AMB 15-2:607 106 ASP HN 5.50 (# 607:15 Single Ambig)
&rst
ixpk= 607, nxpk= 15, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1552,1553,1587,1588,1589,1591,1592,1593,1533,
&end
#
# 0 AMB 15-2:608 106 ASP HN 4.50 (# 608:15 Single Ambig)
&rst
ixpk= 608, nxpk= 15, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1742,1555,
&end
#
# 104 LEU HA 106 ASP HN 5.50 (# 609:15 Unique 4.33, 4.48 A)
&rst
ixpk= 609, nxpk= 15, iat=1580,1614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ASP HA 8 ASP HN 3.50 (# 612:15 Unique 2.84, 2.85 A)
&rst
ixpk= 612, nxpk= 15, iat= 117, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:613 8 ASP HN 3.50 (# 613:15 Single Ambig)
&rst
ixpk= 613, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 66, 98,
&end
#
# 7 LEU QB 8 ASP HN 3.50 (# 614:15 Unique 2.47, 3.22 A)
&rst
ixpk= 614, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 100, 101,
&end
#
# 9 ALA HN 8 ASP HN 3.50 (# 615:15 Unique 2.72, 2.76 A)
&rst
ixpk= 615, nxpk= 15, iat= 127, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 ASP HB+ 8 ASP HN 3.50 (# 617:15 Unique 2.33, 2.50 A)
&rst
ixpk= 617, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 119, 120,
&end
#
# 8 ASP HB- 8 ASP HN 3.50 (# 618:15 Unique 2.33, 2.50 A)
&rst
ixpk= 618, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 119, 120,
&end
#
# 0 AMB 15-2:619 8 ASP HN 4.50 (# 619:15 Single Ambig)
&rst
ixpk= 619, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 49, 50, 131, 132, 133, 987, 988, 989,
&end
#
# 96 GLN HN 95 HIS HN 4.50 (# 620:15 Unique 2.66, 2.71 A)
&rst
ixpk= 620, nxpk= 15, iat=1437,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 LEU HN 95 HIS HN 5.50 (# 621:15 Unique 4.14, 4.23 A)
&rst
ixpk= 621, nxpk= 15, iat=1507,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 HIS HD2 95 HIS HN 5.50 (# 622:15 Unique 4.99, 5.09 A)
&rst
ixpk= 622, nxpk= 15, iat=1433,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 GLN HG+ 95 HIS HN 5.50 (# 623:15 Unique 4.42, 5.40 A)
&rst
ixpk= 623, nxpk= 15, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1444,1445,
&end
#
# 95 HIS HA 95 HIS HN 4.50 (# 624:15 Unique 2.86, 2.88 A)
&rst
ixpk= 624, nxpk= 15, iat=1422,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 VAL HA 95 HIS HN 5.50 (# 625:15 Unique 3.59, 3.80 A)
&rst
ixpk= 625, nxpk= 15, iat=1353,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 HIS HB+ 95 HIS HN 3.50 (# 626:15 Unique 2.41, 2.55 A)
&rst
ixpk= 626, nxpk= 15, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1424,1425,
&end
#
# 96 GLN HG- 95 HIS HN 5.50 (# 627:15 Unique 4.42, 5.40 A)
&rst
ixpk= 627, nxpk= 15, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1444,1445,
&end
#
# 94 LYS HB+ 95 HIS HN 4.50 (# 628:15 Unique 2.88, 3.43 A)
&rst
ixpk= 628, nxpk= 15, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1402,1403,
&end
#
# 0 AMB 15-2:629 95 HIS HN 4.50 (# 629:15 Single Ambig)
&rst
ixpk= 629, nxpk= 15, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1405,1406,1461,1462,
&end
#
# 94 LYS HB- 95 HIS HN 4.50 (# 630:15 Unique 2.88, 3.43 A)
&rst
ixpk= 630, nxpk= 15, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1402,1403,
&end
#
# 100 LEU HB- 95 HIS HN 5.50 (# 631:15 Unique 2.95, 3.50 A)
&rst
ixpk= 631, nxpk= 15, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1511,1512,
&end
#
# 0 AMB 15-2:632 95 HIS HN 4.50 (# 632:15 Single Ambig)
&rst
ixpk= 632, nxpk= 15, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
1521,1522,
&end
#
# 40 LEU HG 95 HIS HN 7.00 (# 633:15 Unique 5.59, 5.70 A)
&rst
ixpk= 633, nxpk= 15, iat= 617,1420, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 15-2:634 0 AMB 15-1:634 5.50 (# 634:15 Double Ambig)
&rst
ixpk= 634, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1449,1450,1454,
igr2=1383,1420,
&end
#
# 0 AMB 15-2:635 93 GLU HN 5.50 (# 635:15 Single Ambig)
&rst
ixpk= 635, nxpk= 15, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1337,1307,
&end
#
# 40 LEU MDX 93 GLU HN 5.50 (# 636:15 Unique 5.38, 6.64 A)
&rst
ixpk= 636, nxpk= 15, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 15-2:637 93 GLU HN 5.50 (# 637:15 Single Ambig)
&rst
ixpk= 637, nxpk= 15, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1343,1344,1345,1511,1512,
&end
#
# 110 THR MG2 112 LYS HN 7.00 (# 638:15 Unique 2.69, 5.39 A)
&rst
ixpk= 638, nxpk= 15, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1662,1663,1664,
&end
#
# 113 ASN HN 112 LYS HN 5.50 (# 639:15 Unique 2.25, 2.74 A)
&rst
ixpk= 639, nxpk= 15, iat=1702,1680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 ALA HN 112 LYS HN 4.50 (# 640:15 Unique 2.13, 2.95 A)
&rst
ixpk= 640, nxpk= 15, iat=1670,1680, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 THR HN 112 LYS HN 5.50 (# 641:15 Unique 3.80, 4.78 A)
&rst
ixpk= 641, nxpk= 15, iat=1656,1680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 ASN HA 112 LYS HN 7.00 (# 642:15 Unique 4.51, 5.21 A)
&rst
ixpk= 642, nxpk= 15, iat=1704,1680, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 15-2:644 112 LYS HN 3.50 (# 644:15 Single Ambig)
&rst
ixpk= 644, nxpk= 15, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1672,1660,1682,
&end
#
# 112 LYS HB- 112 LYS HN 3.50 (# 645:15 Unique 2.26, 2.97 A)
&rst
ixpk= 645, nxpk= 15, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1684,1685,
&end
#
# 112 LYS QG 112 LYS HN 4.50 (# 646:15 Unique 2.07, 3.27 A)
&rst
ixpk= 646, nxpk= 15, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1687,1688,
&end
#
# 15 LYS HG+ 16 GLU HN 5.50 (# 648:15 Unique 2.53, 4.76 A)
&rst
ixpk= 648, nxpk= 15, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 227, 228,
&end
#
# 17 LEU HN 16 GLU HN 3.50 (# 649:15 Unique 2.73, 2.81 A)
&rst
ixpk= 649, nxpk= 15, iat= 257, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 LYS HA 16 GLU HN 4.50 (# 651:15 Unique 3.09, 3.33 A)
&rst
ixpk= 651, nxpk= 15, iat= 190, 242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 GLU HA 16 GLU HN 3.50 (# 652:15 Unique 2.80, 2.84 A)
&rst
ixpk= 652, nxpk= 15, iat= 244, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:653 0 AMB 15-1:653 4.50 (# 653:15 Double Ambig)
&rst
ixpk= 653, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1237,1238, 222,
igr2=1242, 242,
&end
#
# 16 GLU HG- 16 GLU HN 4.50 (# 654:15 Unique 2.37, 3.80 A)
&rst
ixpk= 654, nxpk= 15, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 249, 250,
&end
#
# 0 AMB 15-2:655 16 GLU HN 3.50 (# 655:15 Single Ambig)
&rst
ixpk= 655, nxpk= 15, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 246, 247, 249, 250,
&end
#
# 16 GLU HB- 16 GLU HN 3.50 (# 656:15 Unique 2.11, 2.72 A)
&rst
ixpk= 656, nxpk= 15, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 246, 247,
&end
#
# 0 AMB 15-2:657 0 AMB 15-1:657 5.50 (# 657:15 Double Ambig)
&rst
ixpk= 657, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 261, 262,1219,1220,
igr2= 242,1242,
&end
#
# 0 AMB 15-2:658 0 AMB 15-1:658 4.50 (# 658:15 Double Ambig)
&rst
ixpk= 658, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 264, 280, 281, 282,1568,1569,1570,1572,1573,1574,
1568,1569,1570,1572,1573,1574,
igr2= 242,1242,
&end
#
# 82 GLY HN 83 LYS HN 4.50 (# 659:15 Unique 2.68, 2.74 A)
&rst
ixpk= 659, nxpk= 15, iat=1235,1242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:660 0 AMB 15-1:660 3.50 (# 660:15 Double Ambig)
&rst
ixpk= 660, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1209, 276,
igr2=1242, 242,
&end
#
# 0 AMB 15-2:661 0 AMB 15-1:661 5.50 (# 661:15 Double Ambig)
&rst
ixpk= 661, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1197,1205, 286,
igr2=1242, 242,
&end
#
# 0 AMB 15-2:662 83 LYS HN 5.50 (# 662:15 Single Ambig)
&rst
ixpk= 662, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1211, 334,
&end
#
# 83 LYS HA 83 LYS HN 4.50 (# 663:15 Unique 2.97, 2.98 A)
&rst
ixpk= 663, nxpk= 15, iat=1244,1242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 GLY HA+ 83 LYS HN 4.50 (# 664:15 Unique 3.15, 3.37 A)
&rst
ixpk= 664, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1237,1238,
&end
#
# 0 AMB 15-2:665 0 AMB 15-1:665 5.50 (# 665:15 Double Ambig)
&rst
ixpk= 665, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 176, 177,1213,
igr2= 242,1242,
&end
#
# 83 LYS QG 83 LYS HN 4.50 (# 666:15 Unique 2.51, 4.14 A)
&rst
ixpk= 666, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1249,1250,
&end
#
# 0 AMB 15-2:667 0 AMB 15-1:667 5.50 (# 667:15 Double Ambig)
&rst
ixpk= 667, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1291,1292, 230, 231,
igr2=1242, 242,
&end
#
# 15 LYS HG- 16 GLU HN 5.50 (# 668:15 Unique 2.53, 4.76 A)
&rst
ixpk= 668, nxpk= 15, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 227, 228,
&end
#
# 84 GLN HA 83 LYS HN 5.50 (# 669:15 Unique 4.85, 4.96 A)
&rst
ixpk= 669, nxpk= 15, iat=1266,1242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 LYS QB 83 LYS HN 3.50 (# 670:15 Unique 2.47, 3.02 A)
&rst
ixpk= 670, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1246,1247,
&end
#
# 0 AMB 15-2:671 0 AMB 15-1:671 4.50 (# 671:15 Double Ambig)
&rst
ixpk= 671, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 198, 199,1291,1292,1252,1253,
igr2= 242,1242,
&end
#
# 0 AMB 15-2:672 0 AMB 15-1:672 4.50 (# 672:15 Double Ambig)
&rst
ixpk= 672, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1215,1216,1217, 266, 267, 268, 270, 271, 272, 945,
946, 947, 949, 950, 951,
igr2=1242, 242,
&end
#
# 79 PHE HB+ 83 LYS HN 5.50 (# 673:15 Unique 3.31, 4.32 A)
&rst
ixpk= 673, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1193,1194,
&end
#
# 0 AMB 15-2:674 36 ARG HN 5.50 (# 674:15 Single Ambig)
&rst
ixpk= 674, nxpk= 15, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 571, 593,
&end
#
# 0 AMB 15-2:676 0 AMB 15-1:676 4.50 (# 676:15 Double Ambig)
&rst
ixpk= 676, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1339, 480, 481, 508,
igr2=1351, 531,
&end
#
# 0 AMB 15-2:677 0 AMB 15-1:677 5.50 (# 677:15 Double Ambig)
&rst
ixpk= 677, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1309,1310, 510, 511, 557,1146,1147,
igr2=1351, 531,
&end
#
# 36 ARG HB- 36 ARG HN 3.50 (# 678:15 Unique 2.32, 2.64 A)
&rst
ixpk= 678, nxpk= 15, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 535, 536,
&end
#
# 36 ARG HB+ 36 ARG HN 2.50 (# 679:15 Unique 2.32, 2.64 A)
&rst
ixpk= 679, nxpk= 15, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 535, 536,
&end
#
# 36 ARG HG+ 36 ARG HN 4.50 (# 680:15 Unique 2.36, 4.15 A)
&rst
ixpk= 680, nxpk= 15, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 538, 539,
&end
#
# 34 CYS HN 36 ARG HN 5.50 (# 681:15 Unique 3.84, 3.99 A)
&rst
ixpk= 681, nxpk= 15, iat= 506, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ASN HN 36 ARG HN 4.50 (# 682:15 Unique 2.81, 2.88 A)
&rst
ixpk= 682, nxpk= 15, iat= 517, 531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:683 36 ARG HN 4.50 (# 683:15 Single Ambig)
&rst
ixpk= 683, nxpk= 15, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 487, 519,
&end
#
# 36 ARG HA 36 ARG HN 3.50 (# 684:15 Unique 2.80, 2.82 A)
&rst
ixpk= 684, nxpk= 15, iat= 533, 531, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:685 36 ARG HN 5.50 (# 685:15 Single Ambig)
&rst
ixpk= 685, nxpk= 15, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 541, 542,1318,1319,
&end
#
# 35 ASN HB+ 36 ARG HN 4.50 (# 686:15 Unique 2.61, 3.42 A)
&rst
ixpk= 686, nxpk= 15, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 521, 522,
&end
#
# 36 ARG HG- 36 ARG HN 4.50 (# 687:15 Unique 2.36, 4.15 A)
&rst
ixpk= 687, nxpk= 15, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 538, 539,
&end
#
# 39 GLN HG- 36 ARG HN 5.50 (# 688:15 Unique 4.75, 5.94 A)
&rst
ixpk= 688, nxpk= 15, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 600, 601,
&end
#
# 79 PHE HB+ 83 LYS HN 5.50 (# 690:15 Unique 3.31, 4.32 A)
&rst
ixpk= 690, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1193,1194,
&end
#
# 79 PHE HB- 83 LYS HN 5.50 (# 691:15 Unique 3.31, 4.32 A)
&rst
ixpk= 691, nxpk= 15, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1193,1194,
&end
#
# 81 GLY HN 83 LYS HN 5.50 (# 692:15 Unique 4.30, 4.36 A)
&rst
ixpk= 692, nxpk= 15, iat=1228,1242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 PHE HA 83 LYS HN 5.50 (# 693:15 Unique 4.18, 4.28 A)
&rst
ixpk= 693, nxpk= 15, iat=1191,1242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 VAL HN 91 VAL HN 3.50 (# 695:15 Unique 2.69, 2.72 A)
&rst
ixpk= 695, nxpk= 15, iat=1367,1351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 CYS HA 91 VAL HN 5.50 (# 696:15 Unique 3.56, 3.64 A)
&rst
ixpk= 696, nxpk= 15, iat=1316,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:697 0 AMB 15-1:697 4.50 (# 697:15 Double Ambig)
&rst
ixpk= 697, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1343,1344,1345, 578, 579,
igr2=1351, 531,
&end
#
# 0 AMB 15-2:698 0 AMB 15-1:698 4.50 (# 698:15 Double Ambig)
&rst
ixpk= 698, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1373,1374,1375,1377,1378,1379, 561, 562, 563, 565,
566, 567,
igr2=1351, 531,
&end
#
# 0 AMB 15-2:699 91 VAL HN 3.50 (# 699:15 Single Ambig)
&rst
ixpk= 699, nxpk= 15, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
1362,1363,
&end
#
# 89 ASP HA 91 VAL HN 5.50 (# 700:15 Unique 4.63, 4.68 A)
&rst
ixpk= 700, nxpk= 15, iat=1327,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 THR HB 91 VAL HN 4.50 (# 701:15 Unique 2.44, 2.48 A)
&rst
ixpk= 701, nxpk= 15, iat=1341,1351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 VAL HA 91 VAL HN 4.50 (# 702:15 Unique 2.88, 2.89 A)
&rst
ixpk= 702, nxpk= 15, iat=1353,1351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:703 0 AMB 15-1:703 5.50 (# 703:15 Double Ambig)
&rst
ixpk= 703, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 600, 601,1318,1319, 473, 472,
igr2= 531,1351,
&end
#
# 0 AMB 15-2:704 91 VAL HN 5.50 (# 704:15 Single Ambig)
&rst
ixpk= 704, nxpk= 15, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1287,1288,1289, 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 15-2:706 107 ALA HN 5.50 (# 706:15 Single Ambig)
&rst
ixpk= 706, nxpk= 15, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 325, 326,1604,1605,1552,1553,
&end
#
# 105 GLN HN 107 ALA HN 5.50 (# 707:15 Unique 4.07, 4.15 A)
&rst
ixpk= 707, nxpk= 15, iat=1597,1626, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:708 107 ALA HN 3.50 (# 708:15 Single Ambig)
&rst
ixpk= 708, nxpk= 15, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1614,1646,
&end
#
# 108 ALA HN 107 ALA HN 3.50 (# 709:15 Unique 2.64, 2.71 A)
&rst
ixpk= 709, nxpk= 15, iat=1636,1626, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 ASP HA 107 ALA HN 4.50 (# 710:15 Unique 3.55, 3.58 A)
&rst
ixpk= 710, nxpk= 15, iat=1616,1626, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 ALA HA 107 ALA HN 3.50 (# 711:15 Unique 2.87, 2.90 A)
&rst
ixpk= 711, nxpk= 15, iat=1628,1626, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:712 107 ALA HN 4.50 (# 712:15 Single Ambig)
&rst
ixpk= 712, nxpk= 15, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1561,1638,1230,1231,
&end
#
# 104 LEU HA 107 ALA HN 5.50 (# 713:15 Unique 3.22, 3.37 A)
&rst
ixpk= 713, nxpk= 15, iat=1580,1626, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ASP HB+ 107 ALA HN 4.50 (# 714:15 Unique 2.59, 3.35 A)
&rst
ixpk= 714, nxpk= 15, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1618,1619,
&end
#
# 106 ASP HB- 107 ALA HN 4.50 (# 715:15 Unique 2.59, 3.35 A)
&rst
ixpk= 715, nxpk= 15, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1618,1619,
&end
#
# 0 AMB 15-2:716 107 ALA HN 5.50 (# 716:15 Single Ambig)
&rst
ixpk= 716, nxpk= 15, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1601,1602,1582,1583,
&end
#
# 105 GLN HB- 107 ALA HN 5.50 (# 717:15 Unique 5.00, 5.34 A)
&rst
ixpk= 717, nxpk= 15, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1601,1602,
&end
#
# 107 ALA MB 107 ALA HN 2.50 (# 718:15 Unique 2.44, 2.87 A)
&rst
ixpk= 718, nxpk= 15, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1630,1631,1632,
&end
#
# 80 ILE MG2 107 ALA HN 5.50 (# 719:15 Unique 3.98, 4.67 A)
&rst
ixpk= 719, nxpk= 15, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1215,1216,1217,
&end
#
# 16 GLU HG- 17 LEU HN 5.50 (# 721:15 Unique 3.66, 4.46 A)
&rst
ixpk= 721, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 249, 250,
&end
#
# 18 ALA HN 17 LEU HN 4.50 (# 722:15 Unique 2.78, 2.81 A)
&rst
ixpk= 722, nxpk= 15, iat= 276, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 GLU HN 17 LEU HN 4.50 (# 723:15 Unique 2.73, 2.81 A)
&rst
ixpk= 723, nxpk= 15, iat= 242, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 PHE HZ 17 LEU HN 5.50 (# 724:15 Unique 4.27, 4.39 A)
&rst
ixpk= 724, nxpk= 15, iat= 392, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 SER HN 17 LEU HN 5.50 (# 725:15 Unique 4.02, 4.08 A)
&rst
ixpk= 725, nxpk= 15, iat= 286, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LYS HA 17 LEU HN 5.50 (# 727:15 Unique 3.73, 3.88 A)
&rst
ixpk= 727, nxpk= 15, iat= 190, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:728 17 LEU HN 3.50 (# 728:15 Single Ambig)
&rst
ixpk= 728, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 259, 212, 244,
&end
#
# 0 AMB 15-2:729 17 LEU HN 5.50 (# 729:15 Single Ambig)
&rst
ixpk= 729, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 222, 278,
&end
#
# 16 GLU HB+ 17 LEU HN 4.50 (# 730:15 Unique 2.36, 3.05 A)
&rst
ixpk= 730, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 246, 247,
&end
#
# 16 GLU HB- 17 LEU HN 4.50 (# 731:15 Unique 2.36, 3.05 A)
&rst
ixpk= 731, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 246, 247,
&end
#
# 17 LEU MDY 17 LEU HN 4.50 (# 732:15 Unique 3.49, 4.46 A)
&rst
ixpk= 732, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 266, 267, 268, 270, 271, 272,
&end
#
# 13 LYS HG- 17 LEU HN 5.50 (# 733:15 Unique 3.89, 4.72 A)
&rst
ixpk= 733, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 195, 196,
&end
#
# 0 AMB 15-2:734 17 LEU HN 5.50 (# 734:15 Single Ambig)
&rst
ixpk= 734, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 224, 225, 214, 215, 216, 173, 174,
&end
#
# 17 LEU HB- 17 LEU HN 4.50 (# 735:15 Unique 2.32, 2.97 A)
&rst
ixpk= 735, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 261, 262,
&end
#
# 17 LEU HG 17 LEU HN 4.50 (# 736:15 Unique 2.40, 2.47 A)
&rst
ixpk= 736, nxpk= 15, iat= 264, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 LEU MDX 17 LEU HN 4.50 (# 737:15 Unique 3.49, 4.46 A)
&rst
ixpk= 737, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 266, 267, 268, 270, 271, 272,
&end
#
# 51 VAL MGX 17 LEU HN 5.50 (# 738:15 Unique 5.70, 7.24 A)
&rst
ixpk= 738, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 788, 789, 790, 792, 793, 794,
&end
#
# 61 GLN HB- 11 LEU HN 7.00 (# 739:15 Unique 6.09, 6.87 A)
&rst
ixpk= 739, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 923, 924,
&end
#
# 0 AMB 15-2:740 116 GLN HN 3.50 (# 740:15 Single Ambig)
&rst
ixpk= 740, nxpk= 15, iat= -1,1740, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1742,1732,
&end
#
# 116 GLN QG 116 GLN HN 5.50 (# 741:15 Unique 2.14, 3.67 A)
&rst
ixpk= 741, nxpk= 15, iat= -1,1740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1747,1748,
&end
#
# 116 GLN HB+ 116 GLN HN 5.50 (# 742:15 Unique 2.48, 3.42 A)
&rst
ixpk= 742, nxpk= 15, iat= -1,1740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1744,1745,
&end
#
# 116 GLN HB- 116 GLN HN 4.50 (# 743:15 Unique 2.48, 3.42 A)
&rst
ixpk= 743, nxpk= 15, iat= -1,1740, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1744,1745,
&end
#
# 115 ALA MB 116 GLN HN 4.50 (# 744:15 Unique 2.07, 3.84 A)
&rst
ixpk= 744, nxpk= 15, iat= -1,1740, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1734,1735,1736,
&end
#
# 113 ASN HB+ 116 GLN HN 5.50 (# 746:15 Unique 2.90, 4.96 A)
&rst
ixpk= 746, nxpk= 15, iat= -1,1740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1706,1707,
&end
#
# 106 ASP HN 105 GLN HN 4.50 (# 747:15 Unique 2.63, 2.70 A)
&rst
ixpk= 747, nxpk= 15, iat=1614,1597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 LEU HN 105 GLN HN 4.50 (# 748:15 Unique 2.67, 2.71 A)
&rst
ixpk= 748, nxpk= 15, iat=1578,1597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:749 105 GLN HN 5.50 (# 749:15 Single Ambig)
&rst
ixpk= 749, nxpk= 15, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1609,1610,1626,
&end
#
# 102 PRO HA 105 GLN HN 4.50 (# 750:15 Unique 3.16, 3.48 A)
&rst
ixpk= 750, nxpk= 15, iat=1555,1597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 GLN HA 105 GLN HN 3.50 (# 751:15 Unique 2.83, 2.86 A)
&rst
ixpk= 751, nxpk= 15, iat=1599,1597, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 ASP HB+ 105 GLN HN 5.50 (# 752:15 Unique 4.67, 4.97 A)
&rst
ixpk= 752, nxpk= 15, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1618,1619,
&end
#
# 105 GLN HG- 105 GLN HN 3.50 (# 753:15 Unique 2.27, 3.01 A)
&rst
ixpk= 753, nxpk= 15, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1604,1605,
&end
#
# 0 AMB 15-2:754 105 GLN HN 3.50 (# 754:15 Single Ambig)
&rst
ixpk= 754, nxpk= 15, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1601,1602,1582,1583,
&end
#
# 105 GLN HB- 105 GLN HN 3.50 (# 755:15 Unique 2.30, 3.00 A)
&rst
ixpk= 755, nxpk= 15, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1601,1602,
&end
#
# 0 AMB 15-2:756 105 GLN HN 4.50 (# 756:15 Single Ambig)
&rst
ixpk= 756, nxpk= 15, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1533,1587,1588,1589,1591,1592,1593,1530,1531,1684,
1685,1684,1685,
&end
#
# 104 LEU HB- 105 GLN HN 4.50 (# 757:15 Unique 2.53, 3.10 A)
&rst
ixpk= 757, nxpk= 15, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1582,1583,
&end
#
# 0 AMB 15-2:758 105 GLN HN 5.50 (# 758:15 Single Ambig)
&rst
ixpk= 758, nxpk= 15, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1535,1536,1537,1539,1540,1541,1662,1663,1664,
&end
#
# 0 AMB 15-2:759 105 GLN HN 5.50 (# 759:15 Single Ambig)
&rst
ixpk= 759, nxpk= 15, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1766,1767,1768,1770,1771,1772,1568,1569,1570,1572,
1573,1574,1568,1569,1570,1572,1573,1574,
&end
#
# 0 AMB 15-2:760 105 GLN HN 4.50 (# 760:15 Single Ambig)
&rst
ixpk= 760, nxpk= 15, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1585,1587,1588,1589,1591,1592,1593,
&end
#
# 0 AMB 15-2:761 105 GLN HN 5.50 (# 761:15 Single Ambig)
&rst
ixpk= 761, nxpk= 15, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1609,1610,1559,
&end
#
# 104 LEU HA 105 GLN HN 5.50 (# 762:15 Unique 3.57, 3.60 A)
&rst
ixpk= 762, nxpk= 15, iat=1580,1597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLY HA+ 63 GLN HN 5.50 (# 764:15 Unique 3.76, 4.35 A)
&rst
ixpk= 764, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 903, 904,
&end
#
# 62 LEU HB+ 63 GLN HN 4.50 (# 765:15 Unique 2.43, 3.10 A)
&rst
ixpk= 765, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 940, 941,
&end
#
# 62 LEU MDX 63 GLN HN 5.50 (# 766:15 Unique 3.95, 5.48 A)
&rst
ixpk= 766, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 945, 946, 947, 949, 950, 951,
&end
#
# 0 AMB 15-2:767 63 GLN HN 5.50 (# 767:15 Single Ambig)
&rst
ixpk= 767, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 926, 927, 893, 894,
&end
#
# 61 GLN HN 63 GLN HN 5.50 (# 768:15 Unique 3.92, 4.04 A)
&rst
ixpk= 768, nxpk= 15, iat= 919, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 LYS HA 11 LEU HN 5.50 (# 772:15 Unique 5.35, 5.39 A)
&rst
ixpk= 772, nxpk= 15, iat= 168, 147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ALA HN 11 LEU HN 3.50 (# 774:15 Unique 2.73, 2.77 A)
&rst
ixpk= 774, nxpk= 15, iat= 137, 147, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:775 11 LEU HN 7.00 (# 775:15 Single Ambig)
&rst
ixpk= 775, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 220, 242,
&end
#
# 13 LYS HN 11 LEU HN 5.50 (# 776:15 Unique 4.19, 4.28 A)
&rst
ixpk= 776, nxpk= 15, iat= 188, 147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 LYS HN 11 LEU HN 4.50 (# 777:15 Unique 2.76, 2.82 A)
&rst
ixpk= 777, nxpk= 15, iat= 166, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 ASP HA 11 LEU HN 4.50 (# 778:15 Unique 3.11, 3.26 A)
&rst
ixpk= 778, nxpk= 15, iat= 117, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:779 11 LEU HN 4.50 (# 779:15 Single Ambig)
&rst
ixpk= 779, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 139, 98, 985,
&end
#
# 11 LEU HA 11 LEU HN 4.50 (# 780:15 Unique 2.84, 2.85 A)
&rst
ixpk= 780, nxpk= 15, iat= 149, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 ASP HB- 11 LEU HN 5.50 (# 781:15 Unique 5.38, 5.50 A)
&rst
ixpk= 781, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 119, 120,
&end
#
# 0 AMB 15-2:782 11 LEU HN 4.50 (# 782:15 Single Ambig)
&rst
ixpk= 782, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 170, 171, 945, 946, 947, 949, 950, 951,
&end
#
# 11 LEU QB 11 LEU HN 2.50 (# 783:15 Unique 2.27, 2.50 A)
&rst
ixpk= 783, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 151, 152,
&end
#
# 10 ALA MB 11 LEU HN 3.50 (# 784:15 Unique 2.71, 3.53 A)
&rst
ixpk= 784, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 141, 142, 143,
&end
#
# 11 LEU MDX 11 LEU HN 4.50 (# 785:15 Unique 4.34, 5.17 A)
&rst
ixpk= 785, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 0 AMB 15-2:786 11 LEU HN 4.50 (# 786:15 Single Ambig)
&rst
ixpk= 786, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 105, 106, 107, 109, 110, 111, 156, 157, 158, 160,
161, 162,
&end
#
# 12 LYS HG- 11 LEU HN 7.00 (# 787:15 Unique 4.84, 6.84 A)
&rst
ixpk= 787, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 173, 174,
&end
#
# 113 ASN HB- 116 GLN HN 5.50 (# 789:15 Unique 2.90, 4.96 A)
&rst
ixpk= 789, nxpk= 15, iat= -1,1740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1706,1707,
&end
#
# 54 ASP HN 56 LEU HN 5.50 (# 790:15 Unique 3.85, 4.05 A)
&rst
ixpk= 790, nxpk= 15, iat= 832, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLU HA 56 LEU HN 4.50 (# 791:15 Unique 3.23, 3.42 A)
&rst
ixpk= 791, nxpk= 15, iat= 846, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU HA 56 LEU HN 4.50 (# 792:15 Unique 2.80, 3.09 A)
&rst
ixpk= 792, nxpk= 15, iat= 815, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 GLY HA+ 56 LEU HN 5.50 (# 793:15 Unique 3.53, 4.20 A)
&rst
ixpk= 793, nxpk= 15, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 903, 904,
&end
#
# 0 AMB 15-2:796 63 GLN HN 5.50 (# 796:15 Single Ambig)
&rst
ixpk= 796, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 983,1012,
&end
#
# 61 GLN HN 63 GLN HN 5.50 (# 797:15 Unique 3.92, 4.04 A)
&rst
ixpk= 797, nxpk= 15, iat= 919, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 SER HN 63 GLN HN 4.50 (# 798:15 Unique 2.69, 2.78 A)
&rst
ixpk= 798, nxpk= 15, iat= 972, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 SER QB 63 GLN HN 5.50 (# 799:15 Unique 5.30, 5.51 A)
&rst
ixpk= 799, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 912, 913,
&end
#
# 0 AMB 15-2:800 63 GLN HN 4.50 (# 800:15 Single Ambig)
&rst
ixpk= 800, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 938, 976, 977,
&end
#
# 0 AMB 15-2:801 63 GLN HN 4.50 (# 801:15 Single Ambig)
&rst
ixpk= 801, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 957, 910,
&end
#
# 63 GLN HB+ 63 GLN HN 3.50 (# 802:15 Unique 2.05, 2.52 A)
&rst
ixpk= 802, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 959, 960,
&end
#
# 0 AMB 15-2:803 63 GLN HN 5.50 (# 803:15 Single Ambig)
&rst
ixpk= 803, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 987, 988, 989,1016,1017,1018,
&end
#
# 62 LEU HB- 63 GLN HN 4.50 (# 804:15 Unique 2.43, 3.10 A)
&rst
ixpk= 804, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 940, 941,
&end
#
# 53 LEU MDX 63 GLN HN 4.50 (# 805:15 Unique 2.51, 4.59 A)
&rst
ixpk= 805, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 53 LEU MDY 63 GLN HN 4.50 (# 806:15 Unique 2.51, 4.59 A)
&rst
ixpk= 806, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 66 LEU MDY 63 GLN HN 5.50 (# 807:15 Unique 4.61, 7.16 A)
&rst
ixpk= 807, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 91 VAL HN 92 VAL HN 4.50 (# 808:15 Unique 2.69, 2.72 A)
&rst
ixpk= 808, nxpk= 15, iat=1351,1367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 ASP HA 92 VAL HN 5.50 (# 809:15 Unique 3.53, 3.55 A)
&rst
ixpk= 809, nxpk= 15, iat=1327,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 VAL HA 92 VAL HN 4.50 (# 810:15 Unique 2.86, 2.87 A)
&rst
ixpk= 810, nxpk= 15, iat=1369,1367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 VAL HA 92 VAL HN 5.50 (# 811:15 Unique 3.60, 3.61 A)
&rst
ixpk= 811, nxpk= 15, iat=1353,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 VAL HB 92 VAL HN 4.50 (# 812:15 Unique 2.29, 2.49 A)
&rst
ixpk= 812, nxpk= 15, iat=1371,1367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 VAL MGY 92 VAL HN 3.50 (# 813:15 Unique 2.21, 3.81 A)
&rst
ixpk= 813, nxpk= 15, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1373,1374,1375,1377,1378,1379,
&end
#
# 0 AMB 15-2:814 92 VAL HN 4.50 (# 814:15 Single Ambig)
&rst
ixpk= 814, nxpk= 15, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
1362,1363,
&end
#
# 40 LEU MDX 92 VAL HN 5.50 (# 815:15 Unique 3.53, 5.01 A)
&rst
ixpk= 815, nxpk= 15, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 107 ALA HN 109 ALA HN 5.50 (# 817:15 Unique 3.69, 3.78 A)
&rst
ixpk= 817, nxpk= 15, iat=1626,1646, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 THR HN 109 ALA HN 3.50 (# 818:15 Unique 2.34, 2.50 A)
&rst
ixpk= 818, nxpk= 15, iat=1656,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 ALA HA 109 ALA HN 3.50 (# 819:15 Unique 2.84, 2.90 A)
&rst
ixpk= 819, nxpk= 15, iat=1648,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 LEU HA 109 ALA HN 5.50 (# 820:15 Unique 3.56, 3.62 A)
&rst
ixpk= 820, nxpk= 15, iat=1580,1646, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ALA MB 109 ALA HN 3.50 (# 821:15 Unique 2.40, 2.87 A)
&rst
ixpk= 821, nxpk= 15, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1650,1651,1652,
&end
#
# 0 AMB 15-2:822 109 ALA HN 5.50 (# 822:15 Single Ambig)
&rst
ixpk= 822, nxpk= 15, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1587,1588,1589,1591,1592,1593,1585,
&end
#
# 0 AMB 15-2:824 13 LYS HN 5.50 (# 824:15 Single Ambig)
&rst
ixpk= 824, nxpk= 15, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 137, 127,
&end
#
# 58 ASP HN 56 LEU HN 5.50 (# 825:15 Unique 5.02, 5.23 A)
&rst
ixpk= 825, nxpk= 15, iat= 889, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLY HN 56 LEU HN 5.50 (# 826:15 Unique 4.13, 4.42 A)
&rst
ixpk= 826, nxpk= 15, iat= 901, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLU HN 56 LEU HN 3.50 (# 827:15 Unique 2.00, 2.24 A)
&rst
ixpk= 827, nxpk= 15, iat= 844, 859, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:828 56 LEU HN 4.50 (# 828:15 Single Ambig)
&rst
ixpk= 828, nxpk= 15, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 861, 903, 904,
&end
#
# 54 ASP HA 56 LEU HN 5.50 (# 829:15 Unique 3.93, 4.18 A)
&rst
ixpk= 829, nxpk= 15, iat= 834, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:830 56 LEU HN 4.50 (# 830:15 Single Ambig)
&rst
ixpk= 830, nxpk= 15, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 848, 849, 851, 852,
&end
#
# 56 LEU HG 56 LEU HN 4.50 (# 831:15 Unique 2.35, 4.37 A)
&rst
ixpk= 831, nxpk= 15, iat= 866, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 LEU HB+ 56 LEU HN 4.50 (# 832:15 Unique 2.41, 2.54 A)
&rst
ixpk= 832, nxpk= 15, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 863, 864,
&end
#
# 56 LEU HB- 56 LEU HN 3.50 (# 833:15 Unique 2.41, 2.54 A)
&rst
ixpk= 833, nxpk= 15, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 863, 864,
&end
#
# 53 LEU MDX 56 LEU HN 5.50 (# 834:15 Unique 4.51, 6.66 A)
&rst
ixpk= 834, nxpk= 15, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 15-2:835 56 LEU HN 4.50 (# 835:15 Single Ambig)
&rst
ixpk= 835, nxpk= 15, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 868, 869, 870, 872, 873, 874, 822, 823, 824, 826,
827, 828,
&end
#
# 0 AMB 15-2:836 92 VAL HN 5.50 (# 836:15 Single Ambig)
&rst
ixpk= 836, nxpk= 15, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1343,1344,1345,1511,1512,
&end
#
# 90 THR HN 92 VAL HN 5.50 (# 837:15 Unique 4.15, 4.19 A)
&rst
ixpk= 837, nxpk= 15, iat=1337,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 LEU HG 92 VAL HN 7.00 (# 838:15 Unique 6.17, 6.21 A)
&rst
ixpk= 838, nxpk= 15, iat= 617,1367, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 15-2:840 109 ALA HN 5.50 (# 840:15 Single Ambig)
&rst
ixpk= 840, nxpk= 15, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1587,1588,1589,1591,1592,1593,1585,
&end
#
# 108 ALA HN 109 ALA HN 3.50 (# 841:15 Unique 2.70, 2.76 A)
&rst
ixpk= 841, nxpk= 15, iat=1636,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 ALA HN 109 ALA HN 5.50 (# 842:15 Unique 3.69, 3.78 A)
&rst
ixpk= 842, nxpk= 15, iat=1626,1646, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 ALA HA 109 ALA HN 3.50 (# 844:15 Unique 2.85, 2.92 A)
&rst
ixpk= 844, nxpk= 15, iat=1638,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 GLN HA 109 ALA HN 5.50 (# 845:15 Unique 3.55, 3.81 A)
&rst
ixpk= 845, nxpk= 15, iat=1599,1646, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 PRO HB+ 109 ALA HN 5.50 (# 846:15 Unique 3.54, 4.27 A)
&rst
ixpk= 846, nxpk= 15, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 325, 326,
&end
#
# 0 AMB 15-2:847 109 ALA HN 5.50 (# 847:15 Single Ambig)
&rst
ixpk= 847, nxpk= 15, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 325, 326,1582,1583,
&end
#
# 110 THR MG2 109 ALA HN 5.50 (# 848:15 Unique 4.20, 5.58 A)
&rst
ixpk= 848, nxpk= 15, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1662,1663,1664,
&end
#
# 23 VAL MGX 109 ALA HN 5.50 (# 849:15 Unique 4.72, 6.87 A)
&rst
ixpk= 849, nxpk= 15, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 105 GLN HN 104 LEU HN 4.50 (# 851:15 Unique 2.67, 2.71 A)
&rst
ixpk= 851, nxpk= 15, iat=1597,1578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 LEU HN 104 LEU HN 4.50 (# 852:15 Unique 2.65, 2.71 A)
&rst
ixpk= 852, nxpk= 15, iat=1559,1578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:853 104 LEU HN 4.50 (# 853:15 Single Ambig)
&rst
ixpk= 853, nxpk= 15, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1528,1561,
&end
#
# 0 AMB 15-2:854 104 LEU HN 3.50 (# 854:15 Single Ambig)
&rst
ixpk= 854, nxpk= 15, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1582,1583,1563,1564,
&end
#
# 103 LEU HB- 104 LEU HN 3.50 (# 855:15 Unique 2.62, 3.31 A)
&rst
ixpk= 855, nxpk= 15, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1563,1564,
&end
#
# 0 AMB 15-2:856 104 LEU HN 5.50 (# 856:15 Single Ambig)
&rst
ixpk= 856, nxpk= 15, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1535,1536,1537,1539,1540,1541,1662,1663,1664,
&end
#
# 0 AMB 15-2:857 104 LEU HN 4.50 (# 857:15 Single Ambig)
&rst
ixpk= 857, nxpk= 15, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
1573,1574,
&end
#
# 0 AMB 15-2:858 104 LEU HN 3.50 (# 858:15 Single Ambig)
&rst
ixpk= 858, nxpk= 15, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1585,1587,1588,1589,1591,1592,1593,
&end
#
# 104 LEU HA 104 LEU HN 4.50 (# 859:15 Unique 2.86, 2.87 A)
&rst
ixpk= 859, nxpk= 15, iat=1580,1578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:860 104 LEU HN 5.50 (# 860:15 Single Ambig)
&rst
ixpk= 860, nxpk= 15, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1604,1605,1552,1553,
&end
#
# 103 LEU HG 104 LEU HN 5.50 (# 861:15 Unique 3.51, 3.85 A)
&rst
ixpk= 861, nxpk= 15, iat=1566,1578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:862 104 LEU HN 3.50 (# 862:15 Single Ambig)
&rst
ixpk= 862, nxpk= 15, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1587,1588,1589,1591,1592,1593,1552,1553,1530,1531,
&end
#
# 11 LEU HN 13 LYS HN 5.50 (# 863:15 Unique 4.19, 4.28 A)
&rst
ixpk= 863, nxpk= 15, iat= 147, 188, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:864 0 AMB 15-1:864 4.50 (# 864:15 Double Ambig)
&rst
ixpk= 864, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 508, 149,
igr2= 555, 188,
&end
#
# 38 LYS HA 37 VAL HN 5.50 (# 865:15 Unique 5.35, 5.41 A)
&rst
ixpk= 865, nxpk= 15, iat= 573, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:866 37 VAL HN 5.50 (# 866:15 Single Ambig)
&rst
ixpk= 866, nxpk= 15, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 489, 490, 541, 542,
&end
#
# 14 ALA HN 13 LYS HN 3.50 (# 867:15 Unique 2.76, 2.82 A)
&rst
ixpk= 867, nxpk= 15, iat= 210, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 LYS HN 37 VAL HN 4.50 (# 868:15 Unique 2.74, 2.81 A)
&rst
ixpk= 868, nxpk= 15, iat= 571, 555, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 LYS HN 13 LYS HN 3.50 (# 869:15 Unique 2.78, 2.82 A)
&rst
ixpk= 869, nxpk= 15, iat= 166, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 TYR HA 37 VAL HN 5.50 (# 870:15 Unique 3.92, 4.03 A)
&rst
ixpk= 870, nxpk= 15, iat= 487, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ALA HA 13 LYS HN 4.50 (# 871:15 Unique 3.12, 3.33 A)
&rst
ixpk= 871, nxpk= 15, iat= 139, 188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:872 0 AMB 15-1:872 4.50 (# 872:15 Double Ambig)
&rst
ixpk= 872, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 168,1316,
igr2= 188, 555,
&end
#
# 37 VAL HA 37 VAL HN 4.50 (# 873:15 Unique 2.85, 2.86 A)
&rst
ixpk= 873, nxpk= 15, iat= 557, 555, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:874 0 AMB 15-1:874 5.50 (# 874:15 Double Ambig)
&rst
ixpk= 874, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 179, 180, 489, 490,
igr2= 188, 555,
&end
#
# 0 AMB 15-2:875 37 VAL HN 5.50 (# 875:15 Single Ambig)
&rst
ixpk= 875, nxpk= 15, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1152,1153, 521, 522,
&end
#
# 0 AMB 15-2:876 37 VAL HN 3.50 (# 876:15 Single Ambig)
&rst
ixpk= 876, nxpk= 15, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 559, 535, 536,
&end
#
# 0 AMB 15-2:877 13 LYS HN 2.50 (# 877:15 Single Ambig)
&rst
ixpk= 877, nxpk= 15, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 192, 193, 170, 171,
&end
#
# 0 AMB 15-2:878 0 AMB 15-1:878 4.50 (# 878:15 Double Ambig)
&rst
ixpk= 878, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 538, 539, 195, 196, 614, 615,
igr2= 555, 188,
&end
#
# 0 AMB 15-2:879 13 LYS HN 4.50 (# 879:15 Single Ambig)
&rst
ixpk= 879, nxpk= 15, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 173, 174, 214, 215, 216, 141, 142, 143, 224, 225,
&end
#
# 0 AMB 15-2:880 13 LYS HN 4.50 (# 880:15 Single Ambig)
&rst
ixpk= 880, nxpk= 15, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 173, 174, 195, 196,
&end
#
# 37 VAL MGY 37 VAL HN 3.50 (# 881:15 Unique 2.24, 3.86 A)
&rst
ixpk= 881, nxpk= 15, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 561, 562, 563, 565, 566, 567,
&end
#
# 37 VAL MGX 37 VAL HN 3.50 (# 882:15 Unique 2.24, 3.86 A)
&rst
ixpk= 882, nxpk= 15, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 561, 562, 563, 565, 566, 567,
&end
#
# 59 GLY HN 58 ASP HN 3.50 (# 884:15 Unique 2.24, 2.32 A)
&rst
ixpk= 884, nxpk= 15, iat= 901, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 ASP HA 58 ASP HN 3.50 (# 885:15 Unique 2.96, 2.97 A)
&rst
ixpk= 885, nxpk= 15, iat= 891, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 SER HA 58 ASP HN 4.50 (# 887:15 Unique 3.44, 3.50 A)
&rst
ixpk= 887, nxpk= 15, iat= 880, 889, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 SER QB 58 ASP HN 4.50 (# 888:15 Unique 2.96, 3.70 A)
&rst
ixpk= 888, nxpk= 15, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 882, 883,
&end
#
# 59 GLY HA+ 58 ASP HN 5.50 (# 889:15 Unique 3.71, 4.12 A)
&rst
ixpk= 889, nxpk= 15, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 903, 904,
&end
#
# 58 ASP HB- 58 ASP HN 4.50 (# 890:15 Unique 2.67, 3.07 A)
&rst
ixpk= 890, nxpk= 15, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 893, 894,
&end
#
# 58 ASP HB+ 58 ASP HN 4.50 (# 891:15 Unique 2.67, 3.07 A)
&rst
ixpk= 891, nxpk= 15, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 893, 894,
&end
#
# 56 LEU HB+ 58 ASP HN 4.50 (# 892:15 Unique 2.66, 4.06 A)
&rst
ixpk= 892, nxpk= 15, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 863, 864,
&end
#
# 56 LEU HB- 58 ASP HN 4.50 (# 893:15 Unique 2.66, 4.06 A)
&rst
ixpk= 893, nxpk= 15, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 863, 864,
&end
#
# 56 LEU MDX 58 ASP HN 4.50 (# 894:15 Unique 1.87, 4.30 A)
&rst
ixpk= 894, nxpk= 15, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 868, 869, 870, 872, 873, 874,
&end
#
# 56 LEU HN 58 ASP HN 5.50 (# 895:15 Unique 5.02, 5.23 A)
&rst
ixpk= 895, nxpk= 15, iat= 859, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ASP HA 108 ALA HN 5.50 (# 896:15 Unique 3.50, 3.59 A)
&rst
ixpk= 896, nxpk= 15, iat=1616,1636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 ALA HA 108 ALA HN 2.50 (# 897:15 Unique 2.20, 2.21 A)
&rst
ixpk= 897, nxpk= 15, iat=1638,1636, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 105 GLN HA 108 ALA HN 4.50 (# 898:15 Unique 3.13, 3.44 A)
&rst
ixpk= 898, nxpk= 15, iat=1599,1636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:899 108 ALA HN 3.50 (# 899:15 Single Ambig)
&rst
ixpk= 899, nxpk= 15, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1640,1641,1642,1630,1631,1632,
&end
#
# 0 AMB 15-2:900 108 ALA HN 3.50 (# 900:15 Single Ambig)
&rst
ixpk= 900, nxpk= 15, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1646,1614,
&end
#
# 107 ALA HN 108 ALA HN 3.50 (# 901:15 Unique 2.64, 2.71 A)
&rst
ixpk= 901, nxpk= 15, iat=1626,1636, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 LEU HA 108 ALA HN 5.50 (# 902:15 Unique 4.69, 4.84 A)
&rst
ixpk= 902, nxpk= 15, iat=1580,1636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ASP HB- 108 ALA HN 5.50 (# 903:15 Unique 4.68, 5.05 A)
&rst
ixpk= 903, nxpk= 15, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1618,1619,
&end
#
# 0 AMB 15-2:904 108 ALA HN 5.50 (# 904:15 Single Ambig)
&rst
ixpk= 904, nxpk= 15, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 325, 326,1604,1605,
&end
#
# 0 AMB 15-2:905 108 ALA HN 5.50 (# 905:15 Single Ambig)
&rst
ixpk= 905, nxpk= 15, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1601,1602,1582,1583,
&end
#
# 80 ILE MG2 108 ALA HN 5.50 (# 906:15 Unique 6.23, 6.63 A)
&rst
ixpk= 906, nxpk= 15, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1215,1216,1217,
&end
#
# 0 AMB 15-2:907 66 LEU HN 5.50 (# 907:15 Single Ambig)
&rst
ixpk= 907, nxpk= 15, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 959, 960, 820, 923, 924,
&end
#
# 63 GLN HA 66 LEU HN 4.50 (# 908:15 Unique 3.09, 3.38 A)
&rst
ixpk= 908, nxpk= 15, iat= 957, 993, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 LEU HB+ 66 LEU HN 3.50 (# 909:15 Unique 2.07, 2.85 A)
&rst
ixpk= 909, nxpk= 15, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 997, 998,
&end
#
# 66 LEU HB- 66 LEU HN 4.50 (# 910:15 Unique 2.07, 2.85 A)
&rst
ixpk= 910, nxpk= 15, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 997, 998,
&end
#
# 68 HIS HD2 68 HIS HN 5.50 (# 912:15 Unique 4.16, 4.25 A)
&rst
ixpk= 912, nxpk= 15, iat=1035,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 TRP HN 68 HIS HN 3.50 (# 913:15 Unique 2.74, 2.80 A)
&rst
ixpk= 913, nxpk= 15, iat=1039,1022, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 ALA HN 68 HIS HN 3.50 (# 914:15 Unique 2.75, 2.82 A)
&rst
ixpk= 914, nxpk= 15, iat=1012,1022, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:915 68 HIS HN 3.50 (# 915:15 Single Ambig)
&rst
ixpk= 915, nxpk= 15, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1024, 974,
&end
#
# 0 AMB 15-2:916 68 HIS HN 5.50 (# 916:15 Single Ambig)
&rst
ixpk= 916, nxpk= 15, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 976, 977, 957,
&end
#
# 67 ALA HA 68 HIS HN 4.50 (# 917:15 Unique 3.56, 3.57 A)
&rst
ixpk= 917, nxpk= 15, iat=1014,1022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 HIS HB+ 68 HIS HN 3.50 (# 918:15 Unique 2.06, 2.45 A)
&rst
ixpk= 918, nxpk= 15, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1026,1027,
&end
#
# 67 ALA MB 68 HIS HN 3.50 (# 919:15 Unique 2.37, 3.28 A)
&rst
ixpk= 919, nxpk= 15, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1016,1017,1018,
&end
#
# 7 LEU MDX 68 HIS HN 5.50 (# 921:15 Unique 3.87, 5.61 A)
&rst
ixpk= 921, nxpk= 15, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 105, 106, 107, 109, 110, 111,
&end
#
# 48 TYR HD 48 TYR HN 3.50 (# 923:15 Unique 2.17, 3.82 A)
&rst
ixpk= 923, nxpk= 15, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 731, 740,
&end
#
# 0 AMB 15-2:925 48 TYR HN 5.50 (# 925:15 Single Ambig)
&rst
ixpk= 925, nxpk= 15, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 336, 322, 323,
&end
#
# 0 AMB 15-2:926 48 TYR HN 5.50 (# 926:15 Single Ambig)
&rst
ixpk= 926, nxpk= 15, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 706, 707, 708, 312, 313, 314,
&end
#
# 23 VAL MGX 48 TYR HN 5.50 (# 927:15 Unique 5.01, 6.45 A)
&rst
ixpk= 927, nxpk= 15, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 41 LEU MDY 48 TYR HN 5.50 (# 928:15 Unique 4.89, 7.23 A)
&rst
ixpk= 928, nxpk= 15, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 49 LYS HN 48 TYR HN 5.50 (# 929:15 Unique 4.32, 4.41 A)
&rst
ixpk= 929, nxpk= 15, iat= 744, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 SER HN 48 TYR HN 5.50 (# 930:15 Unique 3.53, 4.44 A)
&rst
ixpk= 930, nxpk= 15, iat= 712, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 TYR HA 48 TYR HN 4.50 (# 931:15 Unique 2.90, 2.93 A)
&rst
ixpk= 931, nxpk= 15, iat= 725, 723, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 SER HA 48 TYR HN 2.50 (# 932:15 Unique 2.26, 2.31 A)
&rst
ixpk= 932, nxpk= 15, iat= 714, 723, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB 15-2:933 48 TYR HN 3.50 (# 933:15 Single Ambig)
&rst
ixpk= 933, nxpk= 15, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 716, 717, 716, 717,
&end
#
# 48 TYR HB+ 48 TYR HN 4.50 (# 934:15 Unique 2.65, 3.61 A)
&rst
ixpk= 934, nxpk= 15, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 727, 728,
&end
#
# 48 TYR HB- 48 TYR HN 4.50 (# 935:15 Unique 2.65, 3.61 A)
&rst
ixpk= 935, nxpk= 15, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 727, 728,
&end
#
# 0 AMB 15-2:937 48 TYR HN 5.50 (# 937:15 Single Ambig)
&rst
ixpk= 937, nxpk= 15, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 633, 634, 338, 339, 340, 342, 343, 344,
&end
#
# 14 ALA HN 12 LYS HN 5.50 (# 938:15 Unique 4.10, 4.19 A)
&rst
ixpk= 938, nxpk= 15, iat= 210, 166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 TYR HE 32 GLY HN 5.50 (# 939:15 Unique 5.24, 6.99 A)
&rst
ixpk= 939, nxpk= 15, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 457, 462,
&end
#
# 31 CYS HB- 32 GLY HN 5.50 (# 940:15 Unique 3.14, 3.79 A)
&rst
ixpk= 940, nxpk= 15, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 473, 472,
&end
#
# 33 TYR HN 32 GLY HN 5.50 (# 941:15 Unique 2.63, 2.80 A)
&rst
ixpk= 941, nxpk= 15, iat= 485, 478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 CYS HA 32 GLY HN 3.50 (# 943:15 Unique 2.10, 2.15 A)
&rst
ixpk= 943, nxpk= 15, iat= 470, 478, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 GLY QA 32 GLY HN 3.50 (# 944:15 Unique 2.27, 2.55 A)
&rst
ixpk= 944, nxpk= 15, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 480, 481,
&end
#
# 31 CYS HB+ 32 GLY HN 4.50 (# 945:15 Unique 3.14, 3.79 A)
&rst
ixpk= 945, nxpk= 15, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 473, 472,
&end
#
# 64 SER HN 66 LEU HN 5.50 (# 946:15 Unique 4.04, 4.30 A)
&rst
ixpk= 946, nxpk= 15, iat= 972, 993, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ALA HA 66 LEU HN 5.50 (# 947:15 Unique 5.37, 5.42 A)
&rst
ixpk= 947, nxpk= 15, iat=1014, 993, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:948 0 AMB 15-1:948 2.50 (# 948:15 Double Ambig)
&rst
ixpk= 948, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1063, 983,1012,
igr2=1039, 993,
&end
#
# 66 LEU HA 0 AMB 15-1:949 3.50 (# 949:15 Single Ambig)
&rst
ixpk= 949, nxpk= 15, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 993,1039,
&end
#
# 0 AMB 15-2:950 66 LEU HN 2.50 (# 950:15 Single Ambig)
&rst
ixpk= 950, nxpk= 15, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 987, 988, 989,1000,
&end
#
# 66 LEU MDX 66 LEU HN 4.50 (# 951:15 Unique 2.63, 4.21 A)
&rst
ixpk= 951, nxpk= 15, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 66 LEU MDY 66 LEU HN 4.50 (# 952:15 Unique 2.63, 4.21 A)
&rst
ixpk= 952, nxpk= 15, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 15-2:953 88 CYS HN 5.50 (# 953:15 Single Ambig)
&rst
ixpk= 953, nxpk= 15, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
1362,1363,1357,1358,1359,1361,1362,1363,
&end
#
# 87 GLY HA+ 88 CYS HN 4.50 (# 955:15 Unique 2.34, 2.58 A)
&rst
ixpk= 955, nxpk= 15, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1309,1310,
&end
#
# 88 CYS HB+ 88 CYS HN 4.50 (# 956:15 Unique 2.33, 2.95 A)
&rst
ixpk= 956, nxpk= 15, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1318,1319,
&end
#
# 88 CYS HB- 88 CYS HN 4.50 (# 957:15 Unique 2.33, 2.95 A)
&rst
ixpk= 957, nxpk= 15, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1318,1319,
&end
#
# 0 AMB 15-2:958 88 CYS HN 4.50 (# 958:15 Single Ambig)
&rst
ixpk= 958, nxpk= 15, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1149,1150,1152,1153,
&end
#
# 37 VAL MGY 88 CYS HN 5.50 (# 959:15 Unique 3.80, 5.54 A)
&rst
ixpk= 959, nxpk= 15, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 561, 562, 563, 565, 566, 567,
&end
#
# 76 PRO HD- 88 CYS HN 5.50 (# 960:15 Unique 2.76, 3.90 A)
&rst
ixpk= 960, nxpk= 15, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1146,1147,
&end
#
# 0 AMB 15-2:961 88 CYS HN 5.50 (# 961:15 Single Ambig)
&rst
ixpk= 961, nxpk= 15, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1307,1337,
&end
#
# 7 LEU HN 5 GLN HN 5.50 (# 962:15 Unique 4.01, 4.13 A)
&rst
ixpk= 962, nxpk= 15, iat= 96, 64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 SER HA 5 GLN HN 5.50 (# 963:15 Unique 3.75, 4.34 A)
&rst
ixpk= 963, nxpk= 15, iat= 33, 64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 LYS HN 5 GLN HN 5.50 (# 964:15 Unique 2.55, 2.83 A)
&rst
ixpk= 964, nxpk= 15, iat= 42, 64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 GLU HN 5 GLN HN 4.50 (# 965:15 Unique 2.52, 2.66 A)
&rst
ixpk= 965, nxpk= 15, iat= 81, 64, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 GLN HA 5 GLN HN 3.50 (# 967:15 Unique 2.81, 2.87 A)
&rst
ixpk= 967, nxpk= 15, iat= 66, 64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 GLN QG 5 GLN HN 4.50 (# 968:15 Unique 2.52, 4.45 A)
&rst
ixpk= 968, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 71, 72,
&end
#
# 0 AMB 15-2:969 5 GLN HN 5.50 (# 969:15 Single Ambig)
&rst
ixpk= 969, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 88, 89, 88, 89,
&end
#
# 6 GLU HB- 5 GLN HN 5.50 (# 970:15 Unique 4.64, 5.47 A)
&rst
ixpk= 970, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 85, 86,
&end
#
# 0 AMB 15-2:971 5 GLN HN 2.50 (# 971:15 Single Ambig)
&rst
ixpk= 971, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 68, 69, 68, 69,
&end
#
# 4 LYS HB- 5 GLN HN 4.50 (# 972:15 Unique 2.68, 3.51 A)
&rst
ixpk= 972, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 46, 47,
&end
#
# 0 AMB 15-2:973 5 GLN HN 5.50 (# 973:15 Single Ambig)
&rst
ixpk= 973, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 52, 53, 100, 101,
&end
#
# 4 LYS HG+ 5 GLN HN 5.50 (# 974:15 Unique 2.69, 4.20 A)
&rst
ixpk= 974, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 49, 50,
&end
#
# 33 TYR HN 35 ASN HN 5.50 (# 975:15 Unique 4.08, 4.25 A)
&rst
ixpk= 975, nxpk= 15, iat= 485, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 CYS HN 35 ASN HN 5.50 (# 976:15 Unique 2.50, 2.60 A)
&rst
ixpk= 976, nxpk= 15, iat= 506, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 ARG HN 35 ASN HN 4.50 (# 977:15 Unique 2.81, 2.88 A)
&rst
ixpk= 977, nxpk= 15, iat= 531, 517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 ASN HA 35 ASN HN 4.50 (# 979:15 Unique 2.82, 2.84 A)
&rst
ixpk= 979, nxpk= 15, iat= 519, 517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 CYS HB+ 35 ASN HN 5.50 (# 980:15 Unique 2.43, 3.09 A)
&rst
ixpk= 980, nxpk= 15, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 510, 511,
&end
#
# 35 ASN HB+ 35 ASN HN 4.50 (# 981:15 Unique 2.13, 2.58 A)
&rst
ixpk= 981, nxpk= 15, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 521, 522,
&end
#
# 0 AMB 15-2:982 35 ASN HN 4.50 (# 982:15 Single Ambig)
&rst
ixpk= 982, nxpk= 15, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 480, 481, 508,
&end
#
# 0 AMB 15-2:983 12 LYS HN 5.50 (# 983:15 Single Ambig)
&rst
ixpk= 983, nxpk= 15, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 220, 242,
&end
#
# 11 LEU MDX 12 LYS HN 5.50 (# 984:15 Unique 2.90, 4.77 A)
&rst
ixpk= 984, nxpk= 15, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 11 LEU HN 12 LYS HN 3.50 (# 985:15 Unique 2.76, 2.82 A)
&rst
ixpk= 985, nxpk= 15, iat= 147, 166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:986 12 LYS HN 5.50 (# 986:15 Single Ambig)
&rst
ixpk= 986, nxpk= 15, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 137, 127,
&end
#
# 13 LYS HN 12 LYS HN 4.50 (# 987:15 Unique 2.78, 2.82 A)
&rst
ixpk= 987, nxpk= 15, iat= 188, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 ASP HA 12 LYS HN 5.50 (# 988:15 Unique 3.88, 4.02 A)
&rst
ixpk= 988, nxpk= 15, iat= 117, 166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 ALA HA 12 LYS HN 4.50 (# 989:15 Unique 3.21, 3.31 A)
&rst
ixpk= 989, nxpk= 15, iat= 129, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 LEU HA 12 LYS HN 4.50 (# 990:15 Unique 3.61, 3.62 A)
&rst
ixpk= 990, nxpk= 15, iat= 149, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 LYS HA 12 LYS HN 3.50 (# 991:15 Unique 2.82, 2.84 A)
&rst
ixpk= 991, nxpk= 15, iat= 168, 166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 LYS QB 12 LYS HN 2.50 (# 992:15 Unique 2.30, 2.62 A)
&rst
ixpk= 992, nxpk= 15, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 170, 171,
&end
#
# 11 LEU QB 12 LYS HN 3.50 (# 993:15 Unique 2.44, 3.38 A)
&rst
ixpk= 993, nxpk= 15, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 151, 152,
&end
#
# 0 AMB 15-2:994 12 LYS HN 4.50 (# 994:15 Single Ambig)
&rst
ixpk= 994, nxpk= 15, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 173, 174, 154,
&end
#
# 12 LYS HG- 12 LYS HN 4.50 (# 995:15 Unique 2.38, 4.14 A)
&rst
ixpk= 995, nxpk= 15, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 173, 174,
&end
#
# 11 LEU MDY 12 LYS HN 5.50 (# 996:15 Unique 2.90, 4.77 A)
&rst
ixpk= 996, nxpk= 15, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 68 HIS HN 69 TRP HN 3.50 (# 998:15 Unique 2.74, 2.80 A)
&rst
ixpk= 998, nxpk= 15, iat=1022,1039, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 TRP HD1 69 TRP HN 5.50 (# 999:15 Unique 4.86, 4.91 A)
&rst
ixpk= 999, nxpk= 15, iat=1047,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 TRP HE3 69 TRP HN 5.50 (# 1000:15 Unique 4.51, 4.68 A)
&rst
ixpk= 1000, nxpk= 15, iat=1058,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1001 69 TRP HN 5.50 (# 1001:15 Single Ambig)
&rst
ixpk= 1001, nxpk= 15, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1014,1110,1111,
&end
#
# 71 GLY HN 69 TRP HN 5.50 (# 1002:15 Unique 3.88, 4.04 A)
&rst
ixpk= 1002, nxpk= 15, iat=1077,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 HIS HD2 69 TRP HN 5.50 (# 1003:15 Unique 2.71, 2.82 A)
&rst
ixpk= 1003, nxpk= 15, iat=1035,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 HIS HA 69 TRP HN 4.50 (# 1005:15 Unique 3.57, 3.59 A)
&rst
ixpk= 1005, nxpk= 15, iat=1024,1039, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1006 69 TRP HN 2.50 (# 1006:15 Single Ambig)
&rst
ixpk= 1006, nxpk= 15, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1043,1044,1026,1027,
&end
#
# 0 AMB 15-2:1007 0 AMB 15-1:1007 4.50 (# 1007:15 Double Ambig)
&rst
ixpk= 1007, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 156, 157, 158, 160, 161, 162,1568,1569,1570,1572,
1573,1574,1568,1569,1570,1572,1573,1574,
igr2=1039,1209,
&end
#
# 0 AMB 15-2:1008 0 AMB 15-1:1008 4.50 (# 1008:15 Double Ambig)
&rst
ixpk= 1008, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 156, 157, 158, 160, 161, 162,1215,1216,1217, 105,
106, 107, 109, 110, 111,
igr2=1039,1209,
&end
#
# 79 PHE HB- 80 ILE HN 5.50 (# 1009:15 Unique 2.86, 3.51 A)
&rst
ixpk= 1009, nxpk= 15, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1193,1194,
&end
#
# 81 GLY HN 80 ILE HN 5.50 (# 1010:15 Unique 4.22, 4.23 A)
&rst
ixpk= 1010, nxpk= 15, iat=1228,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 PHE HN 80 ILE HN 5.50 (# 1011:15 Unique 4.36, 4.38 A)
&rst
ixpk= 1011, nxpk= 15, iat=1189,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 LYS HN 80 ILE HN 4.50 (# 1012:15 Unique 2.75, 2.81 A)
&rst
ixpk= 1012, nxpk= 15, iat=1242,1209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 PHE HD 80 ILE HN 5.50 (# 1013:15 Unique 4.18, 4.95 A)
&rst
ixpk= 1013, nxpk= 15, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1197,1205,
&end
#
# 79 PHE HA 80 ILE HN 3.50 (# 1014:15 Unique 2.25, 2.26 A)
&rst
ixpk= 1014, nxpk= 15, iat=1191,1209, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 ILE HA 80 ILE HN 4.50 (# 1015:15 Unique 2.92, 2.94 A)
&rst
ixpk= 1015, nxpk= 15, iat=1211,1209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 GLN HA 80 ILE HN 5.50 (# 1016:15 Unique 3.87, 4.05 A)
&rst
ixpk= 1016, nxpk= 15, iat=1266,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 LYS QB 80 ILE HN 5.50 (# 1017:15 Unique 3.62, 4.74 A)
&rst
ixpk= 1017, nxpk= 15, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1246,1247,
&end
#
# 85 ILE HG1- 80 ILE HN 4.50 (# 1018:15 Unique 2.27, 2.97 A)
&rst
ixpk= 1018, nxpk= 15, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1291,1292,
&end
#
# 80 ILE HB 80 ILE HN 4.50 (# 1019:15 Unique 2.84, 2.87 A)
&rst
ixpk= 1019, nxpk= 15, iat=1213,1209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 ILE HG1+ 80 ILE HN 4.50 (# 1020:15 Unique 2.27, 2.97 A)
&rst
ixpk= 1020, nxpk= 15, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1291,1292,
&end
#
# 85 ILE MD1 80 ILE HN 4.50 (# 1021:15 Unique 2.13, 3.76 A)
&rst
ixpk= 1021, nxpk= 15, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1294,1295,1296,
&end
#
# 0 AMB 15-2:1023 88 CYS HN 4.50 (# 1023:15 Single Ambig)
&rst
ixpk= 1023, nxpk= 15, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1309,1310,1146,1147,
&end
#
# 35 ASN HA 39 GLN HN 5.50 (# 1024:15 Unique 3.84, 3.92 A)
&rst
ixpk= 1024, nxpk= 15, iat= 519, 593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 LEU HN 39 GLN HN 4.50 (# 1025:15 Unique 2.71, 2.77 A)
&rst
ixpk= 1025, nxpk= 15, iat= 610, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 GLN HA 39 GLN HN 4.50 (# 1026:15 Unique 2.84, 2.86 A)
&rst
ixpk= 1026, nxpk= 15, iat= 595, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1027 39 GLN HN 5.50 (# 1027:15 Single Ambig)
&rst
ixpk= 1027, nxpk= 15, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 584, 585, 521, 522,
&end
#
# 39 GLN HG+ 39 GLN HN 4.50 (# 1028:15 Unique 2.20, 3.06 A)
&rst
ixpk= 1028, nxpk= 15, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 600, 601,
&end
#
# 39 GLN HG- 39 GLN HN 4.50 (# 1029:15 Unique 2.20, 3.06 A)
&rst
ixpk= 1029, nxpk= 15, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 600, 601,
&end
#
# 0 AMB 15-2:1030 39 GLN HN 2.50 (# 1030:15 Single Ambig)
&rst
ixpk= 1030, nxpk= 15, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 597, 598, 575, 576,
&end
#
# 38 LYS HB- 39 GLN HN 4.50 (# 1031:15 Unique 2.41, 3.08 A)
&rst
ixpk= 1031, nxpk= 15, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 575, 576,
&end
#
# 0 AMB 15-2:1032 39 GLN HN 5.50 (# 1032:15 Single Ambig)
&rst
ixpk= 1032, nxpk= 15, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 555, 526, 527,
&end
#
# 37 VAL HA 39 GLN HN 5.50 (# 1033:15 Unique 4.51, 4.59 A)
&rst
ixpk= 1033, nxpk= 15, iat= 557, 593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LYS HA 39 GLN HN 4.50 (# 1034:15 Unique 3.61, 3.63 A)
&rst
ixpk= 1034, nxpk= 15, iat= 573, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 LYS HD- 39 GLN HN 5.50 (# 1035:15 Unique 4.64, 5.59 A)
&rst
ixpk= 1035, nxpk= 15, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 581, 582,
&end
#
# 0 AMB 15-2:1036 39 GLN HN 4.50 (# 1036:15 Single Ambig)
&rst
ixpk= 1036, nxpk= 15, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 581, 582, 614, 615, 538, 539,
&end
#
# 38 LYS HG+ 39 GLN HN 5.50 (# 1037:15 Unique 4.19, 4.84 A)
&rst
ixpk= 1037, nxpk= 15, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 578, 579,
&end
#
# 0 AMB 15-2:1038 39 GLN HN 5.50 (# 1038:15 Single Ambig)
&rst
ixpk= 1038, nxpk= 15, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 633, 634, 561, 562, 563, 565, 566, 567,
&end
#
# 0 AMB 15-2:1039 47 SER HN 4.50 (# 1039:15 Single Ambig)
&rst
ixpk= 1039, nxpk= 15, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 702,1646,
&end
#
# 109 ALA MB 47 SER HN 4.50 (# 1040:15 Unique 2.53, 3.88 A)
&rst
ixpk= 1040, nxpk= 15, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1650,1651,1652,
&end
#
# 46 ALA MB 47 SER HN 3.50 (# 1041:15 Unique 2.69, 3.69 A)
&rst
ixpk= 1041, nxpk= 15, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 706, 707, 708,
&end
#
# 0 AMB 15-2:1042 47 SER HN 5.50 (# 1042:15 Single Ambig)
&rst
ixpk= 1042, nxpk= 15, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 338, 339, 340, 342, 343, 344, 633, 634,
&end
#
# 104 LEU MDX 47 SER HN 5.50 (# 1043:15 Unique 4.27, 6.25 A)
&rst
ixpk= 1043, nxpk= 15, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1587,1588,1589,1591,1592,1593,
&end
#
# 48 TYR HN 47 SER HN 5.50 (# 1044:15 Unique 3.53, 4.44 A)
&rst
ixpk= 1044, nxpk= 15, iat= 723, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 TYR HD 47 SER HN 5.50 (# 1045:15 Unique 4.29, 6.42 A)
&rst
ixpk= 1045, nxpk= 15, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 731, 740,
&end
#
# 0 AMB 15-2:1046 47 SER HN 2.50 (# 1046:15 Single Ambig)
&rst
ixpk= 1046, nxpk= 15, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 704, 714,
&end
#
# 0 AMB 15-2:1047 47 SER HN 4.50 (# 1047:15 Single Ambig)
&rst
ixpk= 1047, nxpk= 15, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1648,1658,
&end
#
# 0 AMB 15-2:1048 47 SER HN 3.50 (# 1048:15 Single Ambig)
&rst
ixpk= 1048, nxpk= 15, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 716, 717, 716, 717,
&end
#
# 110 THR MG2 47 SER HN 5.50 (# 1049:15 Unique 3.71, 4.96 A)
&rst
ixpk= 1049, nxpk= 15, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1662,1663,1664,
&end
#
# 23 VAL MGX 47 SER HN 5.50 (# 1050:15 Unique 4.10, 6.12 A)
&rst
ixpk= 1050, nxpk= 15, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 56 LEU HB- 55 GLU HN 5.50 (# 1052:15 Unique 4.02, 4.42 A)
&rst
ixpk= 1052, nxpk= 15, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 863, 864,
&end
#
# 53 LEU MDX 55 GLU HN 5.50 (# 1053:15 Unique 5.42, 7.25 A)
&rst
ixpk= 1053, nxpk= 15, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 54 ASP HB- 55 GLU HN 5.50 (# 1054:15 Unique 2.98, 3.65 A)
&rst
ixpk= 1054, nxpk= 15, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 836, 837,
&end
#
# 0 AMB 15-2:1055 55 GLU HN 4.50 (# 1055:15 Single Ambig)
&rst
ixpk= 1055, nxpk= 15, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 802, 803, 863, 864, 817, 818,
&end
#
# 53 LEU HN 55 GLU HN 5.50 (# 1056:15 Unique 4.25, 4.50 A)
&rst
ixpk= 1056, nxpk= 15, iat= 813, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ASP HN 55 GLU HN 4.50 (# 1057:15 Unique 2.41, 2.74 A)
&rst
ixpk= 1057, nxpk= 15, iat= 832, 844, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 LEU HN 55 GLU HN 3.50 (# 1058:15 Unique 2.00, 2.24 A)
&rst
ixpk= 1058, nxpk= 15, iat= 859, 844, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 ASP HA 55 GLU HN 5.50 (# 1059:15 Unique 3.48, 3.52 A)
&rst
ixpk= 1059, nxpk= 15, iat= 834, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLU HA 55 GLU HN 4.50 (# 1060:15 Unique 2.92, 2.97 A)
&rst
ixpk= 1060, nxpk= 15, iat= 846, 844, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1061 55 GLU HN 3.50 (# 1061:15 Single Ambig)
&rst
ixpk= 1061, nxpk= 15, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 848, 849, 851, 852,
&end
#
# 55 GLU HB- 55 GLU HN 3.50 (# 1062:15 Unique 2.34, 2.92 A)
&rst
ixpk= 1062, nxpk= 15, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 848, 849,
&end
#
# 0 AMB 15-2:1063 55 GLU HN 5.50 (# 1063:15 Single Ambig)
&rst
ixpk= 1063, nxpk= 15, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 418, 419, 817, 818, 421, 422,
&end
#
# 29 THR MG2 55 GLU HN 5.50 (# 1064:15 Unique 2.88, 4.12 A)
&rst
ixpk= 1064, nxpk= 15, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 439, 440, 441,
&end
#
# 0 AMB 15-2:1065 55 GLU HN 5.50 (# 1065:15 Single Ambig)
&rst
ixpk= 1065, nxpk= 15, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 868, 869, 870, 872, 873, 874, 822, 823, 824, 826,
827, 828,
&end
#
# 0 AMB 15-2:1066 55 GLU HN 5.50 (# 1066:15 Single Ambig)
&rst
ixpk= 1066, nxpk= 15, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 861, 903, 904,
&end
#
# 53 LEU HA 55 GLU HN 5.50 (# 1067:15 Unique 3.54, 3.85 A)
&rst
ixpk= 1067, nxpk= 15, iat= 815, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ASP HB+ 55 GLU HN 5.50 (# 1068:15 Unique 2.98, 3.65 A)
&rst
ixpk= 1068, nxpk= 15, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 836, 837,
&end
#
# 56 LEU HB- 55 GLU HN 5.50 (# 1069:15 Unique 4.02, 4.42 A)
&rst
ixpk= 1069, nxpk= 15, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 863, 864,
&end
#
# 37 VAL HA 41 LEU HN 5.50 (# 1070:15 Unique 3.82, 3.89 A)
&rst
ixpk= 1070, nxpk= 15, iat= 557, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 LEU MDX 41 LEU HN 5.50 (# 1071:15 Unique 3.19, 5.37 A)
&rst
ixpk= 1071, nxpk= 15, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 43 GLN HN 41 LEU HN 5.50 (# 1072:15 Unique 4.06, 4.19 A)
&rst
ixpk= 1072, nxpk= 15, iat= 662, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 THR HN 41 LEU HN 4.50 (# 1073:15 Unique 2.64, 2.69 A)
&rst
ixpk= 1073, nxpk= 15, iat= 648, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 LEU HN 41 LEU HN 4.50 (# 1074:15 Unique 2.72, 2.77 A)
&rst
ixpk= 1074, nxpk= 15, iat= 610, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1075 41 LEU HN 5.50 (# 1075:15 Single Ambig)
&rst
ixpk= 1075, nxpk= 15, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 652, 650,
&end
#
# 40 LEU HA 41 LEU HN 4.50 (# 1076:15 Unique 3.57, 3.58 A)
&rst
ixpk= 1076, nxpk= 15, iat= 612, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 LEU HA 41 LEU HN 4.50 (# 1077:15 Unique 2.85, 2.87 A)
&rst
ixpk= 1077, nxpk= 15, iat= 631, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 LYS HA 41 LEU HN 5.50 (# 1078:15 Unique 3.66, 3.78 A)
&rst
ixpk= 1078, nxpk= 15, iat= 573, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1079 41 LEU HN 5.50 (# 1079:15 Single Ambig)
&rst
ixpk= 1079, nxpk= 15, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 666, 667, 600, 601,
&end
#
# 0 AMB 15-2:1080 41 LEU HN 2.50 (# 1080:15 Single Ambig)
&rst
ixpk= 1080, nxpk= 15, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 614, 615, 636,
&end
#
# 41 LEU HB+ 41 LEU HN 4.50 (# 1081:15 Unique 2.15, 2.93 A)
&rst
ixpk= 1081, nxpk= 15, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 633, 634,
&end
#
# 37 VAL MGY 41 LEU HN 5.50 (# 1082:15 Unique 4.32, 5.79 A)
&rst
ixpk= 1082, nxpk= 15, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 561, 562, 563, 565, 566, 567,
&end
#
# 41 LEU HB- 41 LEU HN 3.50 (# 1083:15 Unique 2.15, 2.93 A)
&rst
ixpk= 1083, nxpk= 15, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 633, 634,
&end
#
# 41 LEU MDX 41 LEU HN 4.50 (# 1084:15 Unique 2.50, 4.28 A)
&rst
ixpk= 1084, nxpk= 15, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 41 LEU MDY 41 LEU HN 4.50 (# 1085:15 Unique 2.50, 4.28 A)
&rst
ixpk= 1085, nxpk= 15, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 15-2:1086 41 LEU HN 5.50 (# 1086:15 Single Ambig)
&rst
ixpk= 1086, nxpk= 15, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 733, 738, 731, 740,
&end
#
# 0 AMB 15-2:1087 60 SER HN 5.50 (# 1087:15 Single Ambig)
&rst
ixpk= 1087, nxpk= 15, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 936, 955,
&end
#
# 61 GLN HN 60 SER HN 4.50 (# 1088:15 Unique 2.78, 2.93 A)
&rst
ixpk= 1088, nxpk= 15, iat= 919, 908, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 ASP HA 60 SER HN 5.50 (# 1089:15 Unique 3.72, 4.12 A)
&rst
ixpk= 1089, nxpk= 15, iat= 891, 908, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 SER QB 60 SER HN 4.50 (# 1090:15 Unique 2.66, 3.11 A)
&rst
ixpk= 1090, nxpk= 15, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 912, 913,
&end
#
# 60 SER HA 60 SER HN 3.50 (# 1091:15 Unique 2.76, 2.78 A)
&rst
ixpk= 1091, nxpk= 15, iat= 910, 908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 GLY HA+ 60 SER HN 5.50 (# 1092:15 Unique 2.58, 3.19 A)
&rst
ixpk= 1092, nxpk= 15, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 903, 904,
&end
#
# 59 GLY HN 60 SER HN 4.50 (# 1093:15 Unique 2.98, 3.18 A)
&rst
ixpk= 1093, nxpk= 15, iat= 901, 908, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 ASP HA 60 SER HN 5.50 (# 1095:15 Unique 5.51, 5.55 A)
&rst
ixpk= 1095, nxpk= 15, iat= 834, 908, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1096 60 SER HN 5.50 (# 1096:15 Single Ambig)
&rst
ixpk= 1096, nxpk= 15, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 923, 924, 959, 960, 820,
&end
#
# 0 AMB 15-2:1097 94 LYS HN 5.50 (# 1097:15 Single Ambig)
&rst
ixpk= 1097, nxpk= 15, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1511,1512,1343,1344,1345,
&end
#
# 0 AMB 15-2:1098 94 LYS HN 5.50 (# 1098:15 Single Ambig)
&rst
ixpk= 1098, nxpk= 15, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1437,1492,
&end
#
# 94 LYS HA 94 LYS HN 3.50 (# 1099:15 Unique 2.85, 2.87 A)
&rst
ixpk= 1099, nxpk= 15, iat=1400,1398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 VAL HA 94 LYS HN 5.50 (# 1100:15 Unique 4.63, 4.70 A)
&rst
ixpk= 1100, nxpk= 15, iat=1369,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 VAL HA 94 LYS HN 5.50 (# 1101:15 Unique 3.22, 3.28 A)
&rst
ixpk= 1101, nxpk= 15, iat=1353,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 HIS HB+ 94 LYS HN 5.50 (# 1102:15 Unique 4.88, 5.15 A)
&rst
ixpk= 1102, nxpk= 15, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1424,1425,
&end
#
# 0 AMB 15-2:1103 94 LYS HN 5.50 (# 1103:15 Single Ambig)
&rst
ixpk= 1103, nxpk= 15, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1411,1412,1411,1412,
&end
#
# 93 GLU HG+ 94 LYS HN 5.50 (# 1104:15 Unique 3.29, 4.25 A)
&rst
ixpk= 1104, nxpk= 15, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1390,1391,
&end
#
# 0 AMB 15-2:1105 94 LYS HN 3.50 (# 1105:15 Single Ambig)
&rst
ixpk= 1105, nxpk= 15, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1387,1388,1402,1403,
&end
#
# 99 GLU HB- 94 LYS HN 5.50 (# 1106:15 Unique 5.18, 6.05 A)
&rst
ixpk= 1106, nxpk= 15, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1496,1497,
&end
#
# 94 LYS QG 94 LYS HN 3.50 (# 1107:15 Unique 2.25, 2.96 A)
&rst
ixpk= 1107, nxpk= 15, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1405,1406,
&end
#
# 94 LYS HB- 94 LYS HN 4.50 (# 1108:15 Unique 2.40, 3.02 A)
&rst
ixpk= 1108, nxpk= 15, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1402,1403,
&end
#
# 92 VAL MGX 94 LYS HN 5.50 (# 1109:15 Unique 5.28, 6.66 A)
&rst
ixpk= 1109, nxpk= 15, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1373,1374,1375,1377,1378,1379,
&end
#
# 0 AMB 15-2:1110 94 LYS HN 4.50 (# 1110:15 Single Ambig)
&rst
ixpk= 1110, nxpk= 15, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
1362,1363,1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 15-2:1111 94 LYS HN 5.50 (# 1111:15 Single Ambig)
&rst
ixpk= 1111, nxpk= 15, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 619, 620, 621, 623, 624, 625,1287,1288,1289,
&end
#
# 95 HIS HA 94 LYS HN 5.50 (# 1112:15 Unique 5.33, 5.38 A)
&rst
ixpk= 1112, nxpk= 15, iat=1422,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1113 94 LYS HN 7.00 (# 1113:15 Single Ambig)
&rst
ixpk= 1113, nxpk= 15, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1509,1327,
&end
#
# 95 HIS HB- 94 LYS HN 5.50 (# 1114:15 Unique 4.88, 5.15 A)
&rst
ixpk= 1114, nxpk= 15, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1424,1425,
&end
#
# 0 AMB 15-2:1115 41 LEU HN 5.50 (# 1115:15 Single Ambig)
&rst
ixpk= 1115, nxpk= 15, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 597, 598, 575, 576, 559,1355,
&end
#
# 89 ASP HN 90 THR HN 4.50 (# 1117:15 Unique 2.78, 2.82 A)
&rst
ixpk= 1117, nxpk= 15, iat=1325,1337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 GLY HA+ 90 THR HN 5.50 (# 1119:15 Unique 4.45, 5.18 A)
&rst
ixpk= 1119, nxpk= 15, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1302,1303,
&end
#
# 89 ASP HA 90 THR HN 4.50 (# 1120:15 Unique 3.59, 3.59 A)
&rst
ixpk= 1120, nxpk= 15, iat=1327,1337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 THR HA 90 THR HN 4.50 (# 1121:15 Unique 2.82, 2.83 A)
&rst
ixpk= 1121, nxpk= 15, iat=1339,1337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 THR HB 90 THR HN 3.50 (# 1122:15 Unique 2.71, 2.75 A)
&rst
ixpk= 1122, nxpk= 15, iat=1341,1337, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 ASP HB+ 90 THR HN 4.50 (# 1123:15 Unique 2.69, 3.42 A)
&rst
ixpk= 1123, nxpk= 15, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1329,1330,
&end
#
# 89 ASP HB- 90 THR HN 4.50 (# 1124:15 Unique 2.69, 3.42 A)
&rst
ixpk= 1124, nxpk= 15, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1329,1330,
&end
#
# 0 AMB 15-2:1125 90 THR HN 5.50 (# 1125:15 Single Ambig)
&rst
ixpk= 1125, nxpk= 15, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1387,1388,1355,
&end
#
# 90 THR MG2 90 THR HN 4.50 (# 1126:15 Unique 4.23, 4.46 A)
&rst
ixpk= 1126, nxpk= 15, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1343,1344,1345,
&end
#
# 0 AMB 15-2:1127 90 THR HN 5.50 (# 1127:15 Single Ambig)
&rst
ixpk= 1127, nxpk= 15, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1373,1374,1375,1377,1378,1379, 561, 562, 563, 565,
566, 567,
&end
#
# 0 AMB 15-2:1128 90 THR HN 5.50 (# 1128:15 Single Ambig)
&rst
ixpk= 1128, nxpk= 15, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
1362,1363,
&end
#
# 88 CYS HN 90 THR HN 5.50 (# 1129:15 Unique 4.23, 4.27 A)
&rst
ixpk= 1129, nxpk= 15, iat=1314,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 GLN HN 42 THR HN 3.50 (# 1130:15 Unique 2.71, 2.80 A)
&rst
ixpk= 1130, nxpk= 15, iat= 662, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 LEU HN 42 THR HN 4.50 (# 1131:15 Unique 2.64, 2.69 A)
&rst
ixpk= 1131, nxpk= 15, iat= 629, 648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1132 42 THR HN 4.50 (# 1132:15 Single Ambig)
&rst
ixpk= 1132, nxpk= 15, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 610, 679,
&end
#
# 48 TYR HE 42 THR HN 4.50 (# 1133:15 Unique 3.09, 4.72 A)
&rst
ixpk= 1133, nxpk= 15, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 733, 738,
&end
#
# 42 THR HB 42 THR HN 3.50 (# 1135:15 Unique 2.45, 2.51 A)
&rst
ixpk= 1135, nxpk= 15, iat= 652, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 GLN HA 42 THR HN 4.50 (# 1136:15 Unique 3.22, 3.33 A)
&rst
ixpk= 1136, nxpk= 15, iat= 595, 648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 LEU HA 42 THR HN 5.50 (# 1137:15 Unique 3.57, 3.59 A)
&rst
ixpk= 1137, nxpk= 15, iat= 631, 648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LYS HA 42 THR HN 5.50 (# 1138:15 Unique 3.97, 4.06 A)
&rst
ixpk= 1138, nxpk= 15, iat= 573, 648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1139 42 THR HN 5.50 (# 1139:15 Single Ambig)
&rst
ixpk= 1139, nxpk= 15, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 666, 667, 600, 601,
&end
#
# 0 AMB 15-2:1140 42 THR HN 5.50 (# 1140:15 Single Ambig)
&rst
ixpk= 1140, nxpk= 15, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 575, 576, 597, 598,
&end
#
# 0 AMB 15-2:1141 42 THR HN 4.50 (# 1141:15 Single Ambig)
&rst
ixpk= 1141, nxpk= 15, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 636, 614, 615,
&end
#
# 0 AMB 15-2:1142 42 THR HN 4.50 (# 1142:15 Single Ambig)
&rst
ixpk= 1142, nxpk= 15, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 654, 655, 656, 706, 707, 708, 619, 620, 621, 623,
624, 625,
&end
#
# 41 LEU HB- 42 THR HN 4.50 (# 1143:15 Unique 2.60, 3.15 A)
&rst
ixpk= 1143, nxpk= 15, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 633, 634,
&end
#
# 41 LEU MDX 42 THR HN 5.50 (# 1144:15 Unique 4.83, 5.71 A)
&rst
ixpk= 1144, nxpk= 15, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 41 LEU MDY 42 THR HN 5.50 (# 1145:15 Unique 4.83, 5.71 A)
&rst
ixpk= 1145, nxpk= 15, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 15-2:1146 42 THR HN 5.50 (# 1146:15 Single Ambig)
&rst
ixpk= 1146, nxpk= 15, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 669, 670, 600, 601,
&end
#
# 52 GLU HB- 29 THR HN 5.50 (# 1147:15 Unique 3.25, 4.34 A)
&rst
ixpk= 1147, nxpk= 15, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 802, 803,
&end
#
# 28 LYS HB- 29 THR HN 5.50 (# 1148:15 Unique 2.08, 2.97 A)
&rst
ixpk= 1148, nxpk= 15, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 415, 416,
&end
#
# 29 THR HB 29 THR HN 5.50 (# 1150:15 Unique 3.40, 3.43 A)
&rst
ixpk= 1150, nxpk= 15, iat= 437, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 THR HA 29 THR HN 5.50 (# 1151:15 Unique 2.77, 2.82 A)
&rst
ixpk= 1151, nxpk= 15, iat= 435, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU HB+ 29 THR HN 5.50 (# 1152:15 Unique 3.25, 4.34 A)
&rst
ixpk= 1152, nxpk= 15, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 802, 803,
&end
#
# 29 THR MG2 29 THR HN 4.50 (# 1153:15 Unique 2.40, 3.32 A)
&rst
ixpk= 1153, nxpk= 15, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 439, 440, 441,
&end
#
# 28 LYS HA 29 THR HN 4.50 (# 1154:15 Unique 2.34, 2.53 A)
&rst
ixpk= 1154, nxpk= 15, iat= 413, 433, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 THR HN 89 ASP HN 4.50 (# 1155:15 Unique 2.78, 2.82 A)
&rst
ixpk= 1155, nxpk= 15, iat=1337,1325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 ASP HA 89 ASP HN 4.50 (# 1157:15 Unique 2.81, 2.82 A)
&rst
ixpk= 1157, nxpk= 15, iat=1327,1325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1158 89 ASP HN 5.50 (# 1158:15 Single Ambig)
&rst
ixpk= 1158, nxpk= 15, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1146,1147,1339,
&end
#
# 90 THR HB 89 ASP HN 5.50 (# 1159:15 Unique 5.24, 5.32 A)
&rst
ixpk= 1159, nxpk= 15, iat=1341,1325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 CYS HA 89 ASP HN 5.50 (# 1160:15 Unique 3.58, 3.59 A)
&rst
ixpk= 1160, nxpk= 15, iat=1316,1325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 CYS HB+ 89 ASP HN 4.50 (# 1161:15 Unique 2.46, 3.48 A)
&rst
ixpk= 1161, nxpk= 15, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1318,1319,
&end
#
# 89 ASP HB+ 89 ASP HN 4.50 (# 1162:15 Unique 2.47, 2.51 A)
&rst
ixpk= 1162, nxpk= 15, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1329,1330,
&end
#
# 89 ASP HB- 89 ASP HN 4.50 (# 1163:15 Unique 2.47, 2.51 A)
&rst
ixpk= 1163, nxpk= 15, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1329,1330,
&end
#
# 0 AMB 15-2:1164 89 ASP HN 7.00 (# 1164:15 Single Ambig)
&rst
ixpk= 1164, nxpk= 15, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1371,1387,1388, 535, 536,
&end
#
# 0 AMB 15-2:1165 89 ASP HN 5.50 (# 1165:15 Single Ambig)
&rst
ixpk= 1165, nxpk= 15, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1373,1374,1375,1377,1378,1379, 561, 562, 563, 565,
566, 567,
&end
#
# 88 CYS HN 89 ASP HN 4.50 (# 1166:15 Unique 2.85, 2.93 A)
&rst
ixpk= 1166, nxpk= 15, iat=1314,1325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 VAL HN 89 ASP HN 5.50 (# 1167:15 Unique 4.44, 4.54 A)
&rst
ixpk= 1167, nxpk= 15, iat=1351,1325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 GLY HA+ 89 ASP HN 5.50 (# 1168:15 Unique 3.68, 4.43 A)
&rst
ixpk= 1168, nxpk= 15, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1309,1310,
&end
#
# 0 AMB 15-2:1169 89 ASP HN 5.50 (# 1169:15 Single Ambig)
&rst
ixpk= 1169, nxpk= 15, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1309,1310,1146,1147,
&end
#
# 0 AMB 15-2:1170 89 ASP HN 5.50 (# 1170:15 Single Ambig)
&rst
ixpk= 1170, nxpk= 15, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
1362,1363, 561, 562, 563, 565, 566, 567,
&end
#
# 14 ALA HN 15 LYS HN 4.50 (# 1171:15 Unique 2.79, 2.86 A)
&rst
ixpk= 1171, nxpk= 15, iat= 210, 220, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 TRP HH2 15 LYS HN 5.50 (# 1172:15 Unique 4.34, 4.54 A)
&rst
ixpk= 1172, nxpk= 15, iat=1054, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LYS HA 15 LYS HN 5.50 (# 1173:15 Unique 4.40, 4.50 A)
&rst
ixpk= 1173, nxpk= 15, iat= 190, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1174 15 LYS HN 4.50 (# 1174:15 Single Ambig)
&rst
ixpk= 1174, nxpk= 15, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 212, 149,
&end
#
# 0 AMB 15-2:1175 15 LYS HN 3.50 (# 1175:15 Single Ambig)
&rst
ixpk= 1175, nxpk= 15, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 222, 168,
&end
#
# 0 AMB 15-2:1176 15 LYS HN 5.50 (# 1176:15 Single Ambig)
&rst
ixpk= 1176, nxpk= 15, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 246, 247, 249, 250,
&end
#
# 0 AMB 15-2:1177 15 LYS HN 5.50 (# 1177:15 Single Ambig)
&rst
ixpk= 1177, nxpk= 15, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 233, 234, 266, 267, 268, 270, 271, 272,
&end
#
# 0 AMB 15-2:1178 15 LYS HN 5.50 (# 1178:15 Single Ambig)
&rst
ixpk= 1178, nxpk= 15, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 192, 193, 170, 171, 945, 946, 947, 949, 950, 951,
&end
#
# 0 AMB 15-2:1179 15 LYS HN 5.50 (# 1179:15 Single Ambig)
&rst
ixpk= 1179, nxpk= 15, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 233, 234, 176, 177,
&end
#
# 0 AMB 15-2:1180 15 LYS HN 2.50 (# 1180:15 Single Ambig)
&rst
ixpk= 1180, nxpk= 15, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr1= 224, 225, 214, 215, 216,
&end
#
# 15 LYS QD 15 LYS HN 4.50 (# 1181:15 Unique 4.06, 4.53 A)
&rst
ixpk= 1181, nxpk= 15, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 230, 231,
&end
#
# 0 AMB 15-2:1182 15 LYS HN 5.50 (# 1182:15 Single Ambig)
&rst
ixpk= 1182, nxpk= 15, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 156, 157, 158, 160, 161, 162, 280, 281, 282,
&end
#
# 11 LEU MDY 15 LYS HN 5.50 (# 1183:15 Unique 3.56, 5.85 A)
&rst
ixpk= 1183, nxpk= 15, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 156, 157, 158, 160, 161, 162,
&end
#
# 15 LYS HG- 15 LYS HN 4.50 (# 1184:15 Unique 2.33, 3.10 A)
&rst
ixpk= 1184, nxpk= 15, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 227, 228,
&end
#
# 15 LYS HG+ 15 LYS HN 4.50 (# 1185:15 Unique 2.33, 3.10 A)
&rst
ixpk= 1185, nxpk= 15, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 227, 228,
&end
#
# 96 GLN HA 97 ARG HN 5.50 (# 1186:15 Unique 3.55, 3.59 A)
&rst
ixpk= 1186, nxpk= 15, iat=1439,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 GLN HG+ 97 ARG HN 5.50 (# 1187:15 Unique 2.71, 4.65 A)
&rst
ixpk= 1187, nxpk= 15, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1444,1445,
&end
#
# 0 AMB 15-2:1188 97 ARG HN 4.50 (# 1188:15 Single Ambig)
&rst
ixpk= 1188, nxpk= 15, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1437,1492,
&end
#
# 0 AMB 15-2:1189 97 ARG HN 5.50 (# 1189:15 Single Ambig)
&rst
ixpk= 1189, nxpk= 15, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1420,1398,
&end
#
# 98 ASN HN 97 ARG HN 4.50 (# 1190:15 Unique 2.69, 2.78 A)
&rst
ixpk= 1190, nxpk= 15, iat=1478,1454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 ASN HA 97 ARG HN 5.50 (# 1191:15 Unique 4.77, 4.84 A)
&rst
ixpk= 1191, nxpk= 15, iat=1480,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ARG HA 97 ARG HN 4.50 (# 1192:15 Unique 2.88, 2.91 A)
&rst
ixpk= 1192, nxpk= 15, iat=1456,1454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 LYS HA 97 ARG HN 5.50 (# 1193:15 Unique 3.17, 3.32 A)
&rst
ixpk= 1193, nxpk= 15, iat=1400,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 GLN HB+ 97 ARG HN 4.50 (# 1194:15 Unique 2.64, 3.30 A)
&rst
ixpk= 1194, nxpk= 15, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1441,1442,
&end
#
# 0 AMB 15-2:1195 97 ARG HN 3.50 (# 1195:15 Single Ambig)
&rst
ixpk= 1195, nxpk= 15, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1458,1459,1441,1442,
&end
#
# 97 ARG HG- 97 ARG HN 4.50 (# 1196:15 Unique 2.34, 3.05 A)
&rst
ixpk= 1196, nxpk= 15, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1461,1462,
&end
#
# 0 AMB 15-2:1197 97 ARG HN 3.50 (# 1197:15 Single Ambig)
&rst
ixpk= 1197, nxpk= 15, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1458,1459,1461,1462,
&end
#
# 97 ARG QD 97 ARG HN 5.50 (# 1198:15 Unique 3.51, 4.61 A)
&rst
ixpk= 1198, nxpk= 15, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1464,1465,
&end
#
# 96 GLN HG- 97 ARG HN 5.50 (# 1199:15 Unique 2.71, 4.65 A)
&rst
ixpk= 1199, nxpk= 15, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1444,1445,
&end
#
# 63 GLN HN 64 SER HN 3.50 (# 1200:15 Unique 2.69, 2.78 A)
&rst
ixpk= 1200, nxpk= 15, iat= 955, 972, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 ALA HN 64 SER HN 3.50 (# 1201:15 Unique 2.75, 2.80 A)
&rst
ixpk= 1201, nxpk= 15, iat= 983, 972, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 SER HA 64 SER HN 3.50 (# 1202:15 Unique 2.81, 2.84 A)
&rst
ixpk= 1202, nxpk= 15, iat= 974, 972, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 SER HB+ 64 SER HN 3.50 (# 1203:15 Unique 2.54, 3.09 A)
&rst
ixpk= 1203, nxpk= 15, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 976, 977,
&end
#
# 63 GLN HB+ 64 SER HN 3.50 (# 1204:15 Unique 2.57, 3.26 A)
&rst
ixpk= 1204, nxpk= 15, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 959, 960,
&end
#
# 0 AMB 15-2:1205 64 SER HN 5.50 (# 1205:15 Single Ambig)
&rst
ixpk= 1205, nxpk= 15, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 997, 998, 940, 941,
&end
#
# 0 AMB 15-2:1206 64 SER HN 4.50 (# 1206:15 Single Ambig)
&rst
ixpk= 1206, nxpk= 15, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 987, 988, 989,1016,1017,1018,
&end
#
# 66 LEU HB- 64 SER HN 5.50 (# 1207:15 Unique 4.75, 5.86 A)
&rst
ixpk= 1207, nxpk= 15, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 997, 998,
&end
#
# 0 AMB 15-2:1208 64 SER HN 5.50 (# 1208:15 Single Ambig)
&rst
ixpk= 1208, nxpk= 15, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 822, 823, 824, 826, 827, 828, 945, 946, 947, 949,
950, 951,
&end
#
# 66 LEU HN 64 SER HN 5.50 (# 1209:15 Unique 4.04, 4.30 A)
&rst
ixpk= 1209, nxpk= 15, iat= 993, 972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 GLN HN 64 SER HN 5.50 (# 1210:15 Unique 4.51, 4.59 A)
&rst
ixpk= 1210, nxpk= 15, iat= 919, 972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1212 64 SER HN 7.00 (# 1212:15 Single Ambig)
&rst
ixpk= 1212, nxpk= 15, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1= 105, 106, 107, 109, 110, 111, 943,
&end
#
# 18 ALA HN 20 SER HN 5.50 (# 1213:15 Unique 4.20, 4.24 A)
&rst
ixpk= 1213, nxpk= 15, iat= 276, 297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ALA HN 20 SER HN 4.50 (# 1214:15 Unique 2.64, 2.70 A)
&rst
ixpk= 1214, nxpk= 15, iat= 308, 297, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 SER HN 20 SER HN 3.50 (# 1215:15 Unique 2.01, 2.22 A)
&rst
ixpk= 1215, nxpk= 15, iat= 286, 297, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 SER HA 20 SER HN 4.50 (# 1218:15 Unique 3.22, 3.37 A)
&rst
ixpk= 1218, nxpk= 15, iat= 288, 297, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 SER HA 20 SER HN 4.50 (# 1219:15 Unique 2.81, 2.88 A)
&rst
ixpk= 1219, nxpk= 15, iat= 299, 297, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1220 20 SER HN 4.50 (# 1220:15 Single Ambig)
&rst
ixpk= 1220, nxpk= 15, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 301, 302, 290, 291,
&end
#
# 21 ALA MB 20 SER HN 5.50 (# 1221:15 Unique 4.82, 5.58 A)
&rst
ixpk= 1221, nxpk= 15, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 312, 313, 314,
&end
#
# 24 VAL MGY 20 SER HN 3.50 (# 1222:15 Unique 2.86, 4.82 A)
&rst
ixpk= 1222, nxpk= 15, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 24 VAL MGX 20 SER HN 5.50 (# 1223:15 Unique 2.86, 4.82 A)
&rst
ixpk= 1223, nxpk= 15, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 18 ALA HA 20 SER HN 5.50 (# 1224:15 Unique 3.99, 4.13 A)
&rst
ixpk= 1224, nxpk= 15, iat= 278, 297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 GLN HN 103 LEU HN 5.50 (# 1226:15 Unique 4.04, 4.15 A)
&rst
ixpk= 1226, nxpk= 15, iat=1597,1559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HN 103 LEU HN 3.50 (# 1227:15 Unique 2.65, 2.71 A)
&rst
ixpk= 1227, nxpk= 15, iat=1578,1559, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1228 103 LEU HN 4.50 (# 1228:15 Single Ambig)
&rst
ixpk= 1228, nxpk= 15, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
1521,1522,1215,1216,1217,
&end
#
# 102 PRO HA 103 LEU HN 4.50 (# 1229:15 Unique 3.61, 3.64 A)
&rst
ixpk= 1229, nxpk= 15, iat=1555,1559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 LEU HA 103 LEU HN 3.50 (# 1230:15 Unique 2.84, 2.86 A)
&rst
ixpk= 1230, nxpk= 15, iat=1561,1559, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 102 PRO HD- 103 LEU HN 5.50 (# 1231:15 Unique 3.04, 3.77 A)
&rst
ixpk= 1231, nxpk= 15, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1546,1547,
&end
#
# 102 PRO HD+ 103 LEU HN 4.50 (# 1232:15 Unique 3.04, 3.77 A)
&rst
ixpk= 1232, nxpk= 15, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1546,1547,
&end
#
# 102 PRO HB+ 103 LEU HN 4.50 (# 1233:15 Unique 2.45, 3.36 A)
&rst
ixpk= 1233, nxpk= 15, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1552,1553,
&end
#
# 0 AMB 15-2:1234 103 LEU HN 3.50 (# 1234:15 Single Ambig)
&rst
ixpk= 1234, nxpk= 15, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1563,1564,1549,1550,
&end
#
# 102 PRO HG+ 103 LEU HN 4.50 (# 1235:15 Unique 2.70, 4.40 A)
&rst
ixpk= 1235, nxpk= 15, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1549,1550,
&end
#
# 102 PRO HB- 103 LEU HN 4.50 (# 1236:15 Unique 2.45, 3.36 A)
&rst
ixpk= 1236, nxpk= 15, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1552,1553,
&end
#
# 103 LEU HB- 103 LEU HN 3.50 (# 1237:15 Unique 2.11, 2.48 A)
&rst
ixpk= 1237, nxpk= 15, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1563,1564,
&end
#
# 0 AMB 15-2:1238 103 LEU HN 3.50 (# 1238:15 Single Ambig)
&rst
ixpk= 1238, nxpk= 15, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
1573,1574,1766,1767,1768,1770,1771,1772,
&end
#
# 0 AMB 15-2:1239 103 LEU HN 4.50 (# 1239:15 Single Ambig)
&rst
ixpk= 1239, nxpk= 15, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1585,1587,1588,1589,1591,1592,1593,1222,1223,1224,
&end
#
# 0 AMB 15-2:1241 98 ASN HN 5.50 (# 1241:15 Single Ambig)
&rst
ixpk= 1241, nxpk= 15, iat= -1,1478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1420,1398,
&end
#
# 100 LEU HN 98 ASN HN 5.50 (# 1242:15 Unique 4.02, 4.11 A)
&rst
ixpk= 1242, nxpk= 15, iat=1507,1478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 LYS HA 98 ASN HN 5.50 (# 1243:15 Unique 4.61, 4.77 A)
&rst
ixpk= 1243, nxpk= 15, iat=1400,1478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ARG HG- 98 ASN HN 4.50 (# 1244:15 Unique 3.57, 4.99 A)
&rst
ixpk= 1244, nxpk= 15, iat= -1,1478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1461,1462,
&end
#
# 0 AMB 15-2:1245 98 ASN HN 5.50 (# 1245:15 Single Ambig)
&rst
ixpk= 1245, nxpk= 15, iat= -1,1478, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1458,1459,1461,1462,
&end
#
# 99 GLU HN 98 ASN HN 3.50 (# 1246:15 Unique 2.60, 2.74 A)
&rst
ixpk= 1246, nxpk= 15, iat=1492,1478, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 ARG HN 98 ASN HN 3.50 (# 1247:15 Unique 2.69, 2.78 A)
&rst
ixpk= 1247, nxpk= 15, iat=1454,1478, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 ASN HA 98 ASN HN 2.50 (# 1248:15 Unique 2.19, 2.21 A)
&rst
ixpk= 1248, nxpk= 15, iat=1480,1478, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 97 ARG HA 98 ASN HN 4.50 (# 1249:15 Unique 3.18, 3.31 A)
&rst
ixpk= 1249, nxpk= 15, iat=1456,1478, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 GLN HA 98 ASN HN 5.50 (# 1250:15 Unique 3.40, 3.62 A)
&rst
ixpk= 1250, nxpk= 15, iat=1439,1478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 ASN HB+ 98 ASN HN 4.50 (# 1251:15 Unique 2.98, 3.36 A)
&rst
ixpk= 1251, nxpk= 15, iat= -1,1478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1482,1483,
&end
#
# 98 ASN HB- 98 ASN HN 4.50 (# 1252:15 Unique 2.98, 3.36 A)
&rst
ixpk= 1252, nxpk= 15, iat= -1,1478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1482,1483,
&end
#
# 0 AMB 15-2:1253 98 ASN HN 4.50 (# 1253:15 Single Ambig)
&rst
ixpk= 1253, nxpk= 15, iat= -1,1478, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1499,1500,1441,1442,
&end
#
# 0 AMB 15-2:1254 98 ASN HN 4.50 (# 1254:15 Single Ambig)
&rst
ixpk= 1254, nxpk= 15, iat= -1,1478, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1458,1459,1496,1497,
&end
#
# 0 AMB 15-2:1255 97 ARG HE 7.00 (# 1255:15 Single Ambig)
&rst
ixpk= 1255, nxpk= 15, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1456,1494,
&end
#
# 94 LYS HA 97 ARG HE 5.50 (# 1256:15 Unique 2.73, 3.85 A)
&rst
ixpk= 1256, nxpk= 15, iat=1400,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1257 97 ARG HE 4.50 (# 1257:15 Single Ambig)
&rst
ixpk= 1257, nxpk= 15, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1458,1459,1496,1497,
&end
#
# 97 ARG HG- 97 ARG HE 5.50 (# 1258:15 Unique 2.29, 3.35 A)
&rst
ixpk= 1258, nxpk= 15, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1461,1462,
&end
#
# 0 AMB 15-2:1259 97 ARG HE 4.50 (# 1259:15 Single Ambig)
&rst
ixpk= 1259, nxpk= 15, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1461,1462,1458,1459,1405,1406,
&end
#
# 97 ARG QD 97 ARG HE 3.50 (# 1261:15 Unique 2.28, 2.68 A)
&rst
ixpk= 1261, nxpk= 15, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1464,1465,
&end
#
# 73 GLY HA- 73 GLY HN 5.50 (# 1262:15 Unique 2.26, 2.59 A)
&rst
ixpk= 1262, nxpk= 15, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1110,1111,
&end
#
# 73 GLY HA+ 73 GLY HN 5.50 (# 1263:15 Unique 2.26, 2.59 A)
&rst
ixpk= 1263, nxpk= 15, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1110,1111,
&end
#
# 74 THR HN 73 GLY HN 5.50 (# 1264:15 Unique 2.50, 2.89 A)
&rst
ixpk= 1264, nxpk= 15, iat=1115,1108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ARG HG+ 73 GLY HN 5.50 (# 1265:15 Unique 1.98, 4.24 A)
&rst
ixpk= 1265, nxpk= 15, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1091,1092,
&end
#
# 72 ARG HA 73 GLY HN 4.50 (# 1266:15 Unique 2.27, 2.82 A)
&rst
ixpk= 1266, nxpk= 15, iat=1086,1108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 ASN HN 98 ASN HD2+ 5.50 (# 1268:15 Unique 3.68, 5.72 A)
&rst
ixpk= 1268, nxpk= 15, iat=1478, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1487,1488,
&end
#
# 98 ASN HB+ 98 ASN HD2+ 4.50 (# 1270:15 Unique 2.28, 3.30 A)
&rst
ixpk= 1270, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1482,1483,
igr2=1487,1488,
&end
#
# 98 ASN HB- 98 ASN HD2+ 4.50 (# 1271:15 Unique 2.28, 3.30 A)
&rst
ixpk= 1271, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1482,1483,
igr2=1487,1488,
&end
#
# 98 ASN HA 98 ASN HD2- 5.50 (# 1273:15 Unique 2.30, 4.25 A)
&rst
ixpk= 1273, nxpk= 15, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1487,1488,
&end
#
# 98 ASN HB+ 98 ASN HD2- 5.50 (# 1276:15 Unique 2.28, 3.30 A)
&rst
ixpk= 1276, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1482,1483,
igr2=1487,1488,
&end
#
# 98 ASN HB- 98 ASN HD2- 4.50 (# 1277:15 Unique 2.28, 3.30 A)
&rst
ixpk= 1277, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1482,1483,
igr2=1487,1488,
&end
#
# 98 ASN HA 98 ASN HD2+ 5.50 (# 1278:15 Unique 2.30, 4.25 A)
&rst
ixpk= 1278, nxpk= 15, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1487,1488,
&end
#
# 117 LEU MDX 113 ASN HD2+ 5.50 (# 1279:15 Unique 2.72, 6.89 A)
&rst
ixpk= 1279, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1766,1767,1768,1770,1771,1772,
igr2=1711,1712,
&end
#
# 117 LEU HA 113 ASN HD2+ 5.50 (# 1280:15 Unique 2.60, 4.81 A)
&rst
ixpk= 1280, nxpk= 15, iat=1759, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1711,1712,
&end
#
# 113 ASN HB- 113 ASN HD2+ 5.50 (# 1283:15 Unique 2.21, 3.25 A)
&rst
ixpk= 1283, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1706,1707,
igr2=1711,1712,
&end
#
# 113 ASN HB+ 113 ASN HD2+ 5.50 (# 1284:15 Unique 2.21, 3.25 A)
&rst
ixpk= 1284, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1706,1707,
igr2=1711,1712,
&end
#
# 113 ASN HB+ 113 ASN HD2- 5.50 (# 1289:15 Unique 2.21, 3.25 A)
&rst
ixpk= 1289, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1706,1707,
igr2=1711,1712,
&end
#
# 113 ASN HB- 113 ASN HD2- 5.50 (# 1290:15 Unique 2.21, 3.25 A)
&rst
ixpk= 1290, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1706,1707,
igr2=1711,1712,
&end
#
# 101 LEU HN 99 GLU HN 5.50 (# 1294:15 Unique 3.48, 3.77 A)
&rst
ixpk= 1294, nxpk= 15, iat=1526,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ARG HN 99 GLU HN 5.50 (# 1295:15 Unique 3.80, 3.92 A)
&rst
ixpk= 1295, nxpk= 15, iat=1454,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 LEU MDY 99 GLU HN 5.50 (# 1296:15 Unique 6.29, 7.01 A)
&rst
ixpk= 1296, nxpk= 15, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1516,1517,1518,1520,1521,1522,
&end
#
# 95 HIS HN 99 GLU HN 5.50 (# 1298:15 Unique 4.85, 4.93 A)
&rst
ixpk= 1298, nxpk= 15, iat=1420,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 ASN HN 99 GLU HN 4.50 (# 1299:15 Unique 2.60, 2.74 A)
&rst
ixpk= 1299, nxpk= 15, iat=1478,1492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 LEU HN 99 GLU HN 3.50 (# 1300:15 Unique 1.89, 1.99 A)
&rst
ixpk= 1300, nxpk= 15, iat=1507,1492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 ASN HA 99 GLU HN 4.50 (# 1301:15 Unique 2.56, 2.69 A)
&rst
ixpk= 1301, nxpk= 15, iat=1480,1492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 GLU HA 99 GLU HN 4.50 (# 1302:15 Unique 2.96, 2.98 A)
&rst
ixpk= 1302, nxpk= 15, iat=1494,1492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 LYS HA 99 GLU HN 5.50 (# 1303:15 Unique 3.44, 3.63 A)
&rst
ixpk= 1303, nxpk= 15, iat=1400,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 ASN HB+ 99 GLU HN 5.50 (# 1304:15 Unique 4.29, 4.50 A)
&rst
ixpk= 1304, nxpk= 15, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1482,1483,
&end
#
# 99 GLU QG 99 GLU HN 4.50 (# 1305:15 Unique 2.78, 4.42 A)
&rst
ixpk= 1305, nxpk= 15, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1499,1500,
&end
#
# 0 AMB 15-2:1306 99 GLU HN 4.50 (# 1306:15 Single Ambig)
&rst
ixpk= 1306, nxpk= 15, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1496,1497,1458,1459,
&end
#
# 99 GLU HB- 99 GLU HN 4.50 (# 1307:15 Unique 2.29, 2.69 A)
&rst
ixpk= 1307, nxpk= 15, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1496,1497,
&end
#
# 94 LYS HB- 99 GLU HN 5.50 (# 1308:15 Unique 3.78, 4.54 A)
&rst
ixpk= 1308, nxpk= 15, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1402,1403,
&end
#
# 100 LEU HB- 99 GLU HN 5.50 (# 1309:15 Unique 3.92, 4.28 A)
&rst
ixpk= 1309, nxpk= 15, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1511,1512,
&end
#
# 98 ASN HB- 99 GLU HN 5.50 (# 1310:15 Unique 4.29, 4.50 A)
&rst
ixpk= 1310, nxpk= 15, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1482,1483,
&end
#
# 0 AMB 15-2:1311 99 GLU HN 4.50 (# 1311:15 Single Ambig)
&rst
ixpk= 1311, nxpk= 15, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1458,1459,1461,1462,
&end
#
# 24 VAL HN 23 VAL HN 5.50 (# 1313:15 Unique 4.21, 4.23 A)
&rst
ixpk= 1313, nxpk= 15, iat= 348, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HN 23 VAL HN 5.50 (# 1314:15 Unique 3.69, 3.90 A)
&rst
ixpk= 1314, nxpk= 15, iat= 744, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 VAL HA 23 VAL HN 4.50 (# 1315:15 Unique 2.93, 2.93 A)
&rst
ixpk= 1315, nxpk= 15, iat= 334, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 PRO HA 23 VAL HN 4.50 (# 1316:15 Unique 3.48, 3.49 A)
&rst
ixpk= 1316, nxpk= 15, iat= 328, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1317 23 VAL HN 4.50 (# 1317:15 Single Ambig)
&rst
ixpk= 1317, nxpk= 15, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 319, 320, 319, 320,
&end
#
# 0 AMB 15-2:1318 23 VAL HN 5.50 (# 1318:15 Single Ambig)
&rst
ixpk= 1318, nxpk= 15, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 727, 728,1193,1194,
&end
#
# 0 AMB 15-2:1319 23 VAL HN 4.50 (# 1319:15 Single Ambig)
&rst
ixpk= 1319, nxpk= 15, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 325, 326, 727, 728,
&end
#
# 0 AMB 15-2:1320 23 VAL HN 3.50 (# 1320:15 Single Ambig)
&rst
ixpk= 1320, nxpk= 15, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 322, 323, 336,
&end
#
# 22 PRO HG+ 23 VAL HN 4.50 (# 1321:15 Unique 2.78, 3.68 A)
&rst
ixpk= 1321, nxpk= 15, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 322, 323,
&end
#
# 0 AMB 15-2:1322 23 VAL HN 4.50 (# 1322:15 Single Ambig)
&rst
ixpk= 1322, nxpk= 15, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1650,1651,1652,1219,1220,1630,1631,1632,
&end
#
# 21 ALA MB 23 VAL HN 3.50 (# 1323:15 Unique 2.69, 3.35 A)
&rst
ixpk= 1323, nxpk= 15, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 312, 313, 314,
&end
#
# 80 ILE HG1+ 23 VAL HN 5.50 (# 1324:15 Unique 5.36, 6.30 A)
&rst
ixpk= 1324, nxpk= 15, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1219,1220,
&end
#
# 23 VAL MGX 23 VAL HN 3.50 (# 1325:15 Unique 3.09, 4.35 A)
&rst
ixpk= 1325, nxpk= 15, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 48 TYR HA 23 VAL HN 4.50 (# 1327:15 Unique 2.89, 3.04 A)
&rst
ixpk= 1327, nxpk= 15, iat= 725, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 ALA HA 23 VAL HN 5.50 (# 1328:15 Unique 4.12, 4.15 A)
&rst
ixpk= 1328, nxpk= 15, iat= 310, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HB+ 23 VAL HN 5.50 (# 1329:15 Unique 4.67, 4.97 A)
&rst
ixpk= 1329, nxpk= 15, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 748, 749,
&end
#
# 72 ARG HD- 72 ARG HE 5.50 (# 1330:15 Unique 2.29, 2.69 A)
&rst
ixpk= 1330, nxpk= 15, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1094,1095,
&end
#
# 35 ASN HB- 35 ASN HD2+ 4.50 (# 1332:15 Unique 2.24, 3.32 A)
&rst
ixpk= 1332, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 521, 522,
igr2= 526, 527,
&end
#
# 35 ASN HN 35 ASN HD2+ 5.50 (# 1333:15 Unique 3.86, 5.10 A)
&rst
ixpk= 1333, nxpk= 15, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 526, 527,
&end
#
# 0 AMB 15-2:1335 35 ASN HD2- 4.50 (# 1335:15 Single Ambig)
&rst
ixpk= 1335, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 521, 522, 521, 522,
igr2= 526, 527,
&end
#
# 32 GLY QA 35 ASN HD2- 5.50 (# 1337:15 Unique 2.89, 5.02 A)
&rst
ixpk= 1337, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 480, 481,
igr2= 526, 527,
&end
#
# 32 GLY QA 35 ASN HD2+ 4.50 (# 1338:15 Unique 2.89, 5.02 A)
&rst
ixpk= 1338, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 480, 481,
igr2= 526, 527,
&end
#
# 5 GLN QG 5 GLN HE2- 4.50 (# 1341:15 Unique 2.24, 3.38 A)
&rst
ixpk= 1341, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 71, 72,
igr2= 76, 77,
&end
#
# 9 ALA MB 5 GLN HE2- 5.50 (# 1342:15 Unique 2.42, 4.78 A)
&rst
ixpk= 1342, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 131, 132, 133,
igr2= 76, 77,
&end
#
# 5 GLN QG 5 GLN HE2+ 5.50 (# 1345:15 Unique 2.24, 3.38 A)
&rst
ixpk= 1345, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 71, 72,
igr2= 76, 77,
&end
#
# 74 THR HA 75 VAL HN 3.50 (# 1346:15 Unique 2.19, 2.43 A)
&rst
ixpk= 1346, nxpk= 15, iat=1117,1129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 VAL HB 75 VAL HN 5.50 (# 1347:15 Unique 3.60, 3.72 A)
&rst
ixpk= 1347, nxpk= 15, iat=1133,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1348 75 VAL HN 5.50 (# 1348:15 Single Ambig)
&rst
ixpk= 1348, nxpk= 15, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 418, 419,1091,1092,
&end
#
# 74 THR MG2 75 VAL HN 4.50 (# 1349:15 Unique 2.25, 4.21 A)
&rst
ixpk= 1349, nxpk= 15, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1121,1122,1123,
&end
#
# 0 AMB 15-2:1350 75 VAL HN 5.50 (# 1350:15 Single Ambig)
&rst
ixpk= 1350, nxpk= 15, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 967, 968,1097,
&end
#
# 0 AMB 15-2:1351 75 VAL HN 5.50 (# 1351:15 Single Ambig)
&rst
ixpk= 1351, nxpk= 15, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 967, 968,1115,
&end
#
# 76 PRO HA 75 VAL HN 5.50 (# 1352:15 Unique 4.80, 4.87 A)
&rst
ixpk= 1352, nxpk= 15, iat=1155,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1354 75 VAL HN 3.50 (# 1354:15 Single Ambig)
&rst
ixpk= 1354, nxpk= 15, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1119,1131,
&end
#
# 75 VAL MGX 75 VAL HN 3.50 (# 1355:15 Unique 1.99, 3.47 A)
&rst
ixpk= 1355, nxpk= 15, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1135,1136,1137,1139,1140,1141,
&end
#
# 35 ASN HN 35 ASN HD2+ 5.50 (# 1356:15 Unique 3.86, 5.10 A)
&rst
ixpk= 1356, nxpk= 15, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 526, 527,
&end
#
# 52 GLU HA 54 ASP HN 5.50 (# 1357:15 Unique 3.56, 3.85 A)
&rst
ixpk= 1357, nxpk= 15, iat= 800, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ASP HA 54 ASP HN 4.50 (# 1358:15 Unique 2.82, 2.85 A)
&rst
ixpk= 1358, nxpk= 15, iat= 834, 832, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU MDX 54 ASP HN 5.50 (# 1359:15 Unique 4.78, 5.88 A)
&rst
ixpk= 1359, nxpk= 15, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 15-2:1360 54 ASP HN 4.50 (# 1360:15 Single Ambig)
&rst
ixpk= 1360, nxpk= 15, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 822, 823, 824, 826, 827, 828,1135,1136,1137,1139,
1140,1141, 868, 869, 870, 872, 873, 874,
&end
#
# 53 LEU HN 54 ASP HN 5.50 (# 1361:15 Unique 2.78, 2.98 A)
&rst
ixpk= 1361, nxpk= 15, iat= 813, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLU HN 54 ASP HN 4.50 (# 1362:15 Unique 2.41, 2.74 A)
&rst
ixpk= 1362, nxpk= 15, iat= 844, 832, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 LEU HN 54 ASP HN 5.50 (# 1363:15 Unique 3.85, 4.05 A)
&rst
ixpk= 1363, nxpk= 15, iat= 859, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LYS HA 54 ASP HN 4.50 (# 1364:15 Unique 2.34, 2.64 A)
&rst
ixpk= 1364, nxpk= 15, iat= 413, 832, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 ASP HB+ 54 ASP HN 4.50 (# 1365:15 Unique 2.32, 2.52 A)
&rst
ixpk= 1365, nxpk= 15, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 836, 837,
&end
#
# 28 LYS HE- 54 ASP HN 5.50 (# 1366:15 Unique 3.39, 5.07 A)
&rst
ixpk= 1366, nxpk= 15, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 424, 425,
&end
#
# 54 ASP HB- 54 ASP HN 4.50 (# 1367:15 Unique 2.32, 2.52 A)
&rst
ixpk= 1367, nxpk= 15, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 836, 837,
&end
#
# 0 AMB 15-2:1368 54 ASP HN 4.50 (# 1368:15 Single Ambig)
&rst
ixpk= 1368, nxpk= 15, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 851, 852, 848, 849, 820,
&end
#
# 0 AMB 15-2:1369 54 ASP HN 4.50 (# 1369:15 Single Ambig)
&rst
ixpk= 1369, nxpk= 15, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 802, 803, 848, 849,
&end
#
# 0 AMB 15-2:1370 54 ASP HN 4.50 (# 1370:15 Single Ambig)
&rst
ixpk= 1370, nxpk= 15, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 421, 422, 817, 818,
&end
#
# 28 LYS QG 54 ASP HN 4.50 (# 1371:15 Unique 2.15, 3.53 A)
&rst
ixpk= 1371, nxpk= 15, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 418, 419,
&end
#
# 0 AMB 15-2:1373 0 AMB 15-1:1373 5.50 (# 1373:15 Double Ambig)
&rst
ixpk= 1373, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1599, 83,
igr2=1609,1610, 931, 932,
&end
#
# 0 AMB 15-2:1375 0 AMB 15-1:1375 4.50 (# 1375:15 Double Ambig)
&rst
ixpk= 1375, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 926, 927, 893, 894,
igr2= 931, 932, 931, 932,
&end
#
# 58 ASP HA 61 GLN HE2+ 5.50 (# 1376:15 Unique 3.97, 5.09 A)
&rst
ixpk= 1376, nxpk= 15, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 931, 932,
&end
#
# 0 AMB 15-2:1377 0 AMB 15-1:1377 5.50 (# 1377:15 Double Ambig)
&rst
ixpk= 1377, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 923, 924, 85, 86,
igr2= 931, 932, 931, 932,
&end
#
# 0 AMB 15-2:1378 0 AMB 15-1:1378 5.50 (# 1378:15 Double Ambig)
&rst
ixpk= 1378, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 521, 522, 521, 522,
igr2= 605, 606, 605, 606,
&end
#
# 39 GLN HG+ 39 GLN HE2+ 4.50 (# 1379:15 Unique 2.23, 3.23 A)
&rst
ixpk= 1379, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 600, 601,
igr2= 605, 606,
&end
#
# 0 AMB 15-2:1382 61 GLN HE2- 5.50 (# 1382:15 Single Ambig)
&rst
ixpk= 1382, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 926, 927, 893, 894,
igr2= 931, 932,
&end
#
# 61 GLN HG+ 61 GLN HE2- 5.50 (# 1383:15 Unique 2.23, 3.47 A)
&rst
ixpk= 1383, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 926, 927,
igr2= 931, 932,
&end
#
# 0 AMB 15-2:1384 61 GLN HE2- 5.50 (# 1384:15 Single Ambig)
&rst
ixpk= 1384, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 923, 924, 88, 89,
igr2= 931, 932,
&end
#
# 58 ASP HA 61 GLN HE2- 5.50 (# 1385:15 Unique 3.97, 5.09 A)
&rst
ixpk= 1385, nxpk= 15, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 931, 932,
&end
#
# 58 ASP HB- 61 GLN HE2- 5.50 (# 1386:15 Unique 2.25, 5.01 A)
&rst
ixpk= 1386, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 893, 894,
igr2= 931, 932,
&end
#
# 61 GLN HB- 61 GLN HE2- 5.50 (# 1387:15 Unique 2.33, 3.59 A)
&rst
ixpk= 1387, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 923, 924,
igr2= 931, 932,
&end
#
# 39 GLN HG+ 39 GLN HE2- 5.50 (# 1388:15 Unique 2.23, 3.23 A)
&rst
ixpk= 1388, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 600, 601,
igr2= 605, 606,
&end
#
# 0 AMB 15-2:1389 0 AMB 15-1:1389 4.50 (# 1389:15 Double Ambig)
&rst
ixpk= 1389, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 600, 601,1441,1442,
igr2= 605, 606,1449,1450,
&end
#
# 53 LEU HA 54 ASP HN 5.50 (# 1390:15 Unique 3.41, 3.54 A)
&rst
ixpk= 1390, nxpk= 15, iat= 815, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 TRP HN 71 GLY HN 5.50 (# 1391:15 Unique 3.88, 4.04 A)
&rst
ixpk= 1391, nxpk= 15, iat=1039,1077, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 THR HN 71 GLY HN 3.50 (# 1392:15 Unique 2.12, 2.37 A)
&rst
ixpk= 1392, nxpk= 15, iat=1063,1077, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 GLY HA+ 71 GLY HN 3.50 (# 1393:15 Unique 2.28, 2.60 A)
&rst
ixpk= 1393, nxpk= 15, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1079,1080,
&end
#
# 70 THR HA 71 GLY HN 4.50 (# 1394:15 Unique 3.46, 3.49 A)
&rst
ixpk= 1394, nxpk= 15, iat=1065,1077, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 GLY HA- 71 GLY HN 3.50 (# 1395:15 Unique 2.28, 2.60 A)
&rst
ixpk= 1395, nxpk= 15, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1079,1080,
&end
#
# 0 AMB 15-2:1396 71 GLY HN 5.50 (# 1396:15 Single Ambig)
&rst
ixpk= 1396, nxpk= 15, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1043,1044,1026,1027,
&end
#
# 0 AMB 15-2:1397 71 GLY HN 4.50 (# 1397:15 Single Ambig)
&rst
ixpk= 1397, nxpk= 15, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1091,1092,1016,1017,1018,1088,1089,
&end
#
# 70 THR MG2 71 GLY HN 4.50 (# 1398:15 Unique 4.50, 5.09 A)
&rst
ixpk= 1398, nxpk= 15, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1069,1070,1071,
&end
#
# 0 AMB 15-2:1399 0 AMB 15-1:1399 5.50 (# 1399:15 Double Ambig)
&rst
ixpk= 1399, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 923, 924, 88, 89,
igr2= 931, 932, 931, 932,
&end
#
# 112 LYS HN 105 GLN HE2+ 5.50 (# 1400:15 Unique 2.27, 4.96 A)
&rst
ixpk= 1400, nxpk= 15, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1609,1610,
&end
#
# 0 AMB 15-2:1402 0 AMB 15-1:1402 3.50 (# 1402:15 Double Ambig)
&rst
ixpk= 1402, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1604,1605, 926, 927,
igr2=1609,1610, 931, 932,
&end
#
# 9 ALA MB 61 GLN HE2+ 5.50 (# 1403:15 Unique 3.28, 7.13 A)
&rst
ixpk= 1403, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 131, 132, 133,
igr2= 931, 932,
&end
#
# 42 THR HB 43 GLN HE2+ 5.50 (# 1406:15 Unique 2.53, 5.00 A)
&rst
ixpk= 1406, nxpk= 15, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 674, 675,
&end
#
# 0 AMB 15-2:1407 0 AMB 15-1:1407 5.50 (# 1407:15 Double Ambig)
&rst
ixpk= 1407, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1=1385, 612, 533, 664,
igr2=1449,1450, 674, 675, 605, 606, 674, 675,
&end
#
# 0 AMB 15-2:1408 0 AMB 15-1:1408 5.50 (# 1408:15 Double Ambig)
&rst
ixpk= 1408, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1441,1442, 597, 598,1371,
igr2=1449,1450, 605, 606, 674, 675,
&end
#
# 96 GLN HG- 96 GLN HE2- 5.50 (# 1409:15 Unique 2.24, 3.30 A)
&rst
ixpk= 1409, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1444,1445,
igr2=1449,1450,
&end
#
# 92 VAL MGX 96 GLN HE2- 5.50 (# 1410:15 Unique 2.30, 5.93 A)
&rst
ixpk= 1410, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1373,1374,1375,1377,1378,1379,
igr2=1449,1450,
&end
#
# 96 GLN HG+ 96 GLN HE2+ 5.50 (# 1412:15 Unique 2.24, 3.30 A)
&rst
ixpk= 1412, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1444,1445,
igr2=1449,1450,
&end
#
# 92 VAL MGX 96 GLN HE2+ 4.50 (# 1413:15 Unique 2.30, 5.93 A)
&rst
ixpk= 1413, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1373,1374,1375,1377,1378,1379,
igr2=1449,1450,
&end
#
# 96 GLN HG- 96 GLN HE2+ 5.50 (# 1415:15 Unique 2.24, 3.30 A)
&rst
ixpk= 1415, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1444,1445,
igr2=1449,1450,
&end
#
# 0 AMB 15-2:1416 0 AMB 15-1:1416 5.50 (# 1416:15 Double Ambig)
&rst
ixpk= 1416, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1441,1442, 597, 598,1371,
igr2=1449,1450, 605, 606,1449,1450,
&end
#
# 72 ARG HA 71 GLY HN 5.50 (# 1419:15 Unique 5.10, 5.19 A)
&rst
ixpk= 1419, nxpk= 15, iat=1086,1077, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1421 0 AMB 15-1:1421 5.50 (# 1421:15 Double Ambig)
&rst
ixpk= 1421, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1=1682,1660,1672,1555,
igr2=1609,1610,1609,1610,1609,1610,1609,1610,
&end
#
# 105 GLN HB- 105 GLN HE2+ 5.50 (# 1422:15 Unique 1.94, 4.08 A)
&rst
ixpk= 1422, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1601,1602,
igr2=1609,1610,
&end
#
# 0 AMB 15-2:1423 0 AMB 15-1:1423 5.50 (# 1423:15 Double Ambig)
&rst
ixpk= 1423, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1533,1684,1685,1684,1685,
igr2=1609,1610,1609,1610,1609,1610,
&end
#
# 101 LEU MDY 105 GLN HE2+ 5.50 (# 1424:15 Unique 1.86, 5.65 A)
&rst
ixpk= 1424, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1535,1536,1537,1539,1540,1541,
igr2=1609,1610,
&end
#
# 101 LEU MDX 105 GLN HE2+ 5.50 (# 1425:15 Unique 1.86, 5.65 A)
&rst
ixpk= 1425, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1535,1536,1537,1539,1540,1541,
igr2=1609,1610,
&end
#
# 0 AMB 15-2:1426 0 AMB 15-1:1426 5.50 (# 1426:15 Double Ambig)
&rst
ixpk= 1426, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 612, 664,
igr2= 674, 675, 674, 675,
&end
#
# 44 VAL MGY 43 GLN HE2+ 5.50 (# 1427:15 Unique 5.66, 7.97 A)
&rst
ixpk= 1427, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 685, 686, 687, 689, 690, 691,
igr2= 674, 675,
&end
#
# 43 GLN HG- 43 GLN HE2+ 4.50 (# 1428:15 Unique 2.26, 3.41 A)
&rst
ixpk= 1428, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 669, 670,
igr2= 674, 675,
&end
#
# 0 AMB 15-2:1429 0 AMB 15-1:1429 4.50 (# 1429:15 Double Ambig)
&rst
ixpk= 1429, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 669, 670,1441,1442,
igr2= 674, 675,1449,1450,
&end
#
# 40 LEU MDX 0 AMB 15-1:1430 5.50 (# 1430:15 Single Ambig)
&rst
ixpk= 1430, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 619, 620, 621, 623, 624, 625,
igr2= 674, 675,1449,1450,
&end
#
# 0 AMB 15-2:1431 105 GLN HE2- 5.50 (# 1431:15 Single Ambig)
&rst
ixpk= 1431, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1682,1660,1672,1555,
igr2=1609,1610,
&end
#
# 105 GLN HG+ 105 GLN HE2- 4.50 (# 1433:15 Unique 2.19, 3.33 A)
&rst
ixpk= 1433, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1604,1605,
igr2=1609,1610,
&end
#
# 105 GLN HB+ 105 GLN HE2- 5.50 (# 1434:15 Unique 1.94, 4.08 A)
&rst
ixpk= 1434, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1601,1602,
igr2=1609,1610,
&end
#
# 105 GLN HB- 105 GLN HE2- 5.50 (# 1435:15 Unique 1.94, 4.08 A)
&rst
ixpk= 1435, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1601,1602,
igr2=1609,1610,
&end
#
# 0 AMB 15-2:1436 105 GLN HE2- 5.50 (# 1436:15 Single Ambig)
&rst
ixpk= 1436, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1533,1684,1685,1684,1685,
igr2=1609,1610,
&end
#
# 101 LEU MDY 105 GLN HE2- 5.50 (# 1437:15 Unique 1.86, 5.65 A)
&rst
ixpk= 1437, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1535,1536,1537,1539,1540,1541,
igr2=1609,1610,
&end
#
# 101 LEU MDX 105 GLN HE2- 5.50 (# 1438:15 Unique 1.86, 5.65 A)
&rst
ixpk= 1438, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1535,1536,1537,1539,1540,1541,
igr2=1609,1610,
&end
#
# 43 GLN HG- 43 GLN HE2- 5.50 (# 1440:15 Unique 2.26, 3.41 A)
&rst
ixpk= 1440, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 669, 670,
igr2= 674, 675,
&end
#
# 43 GLN HG+ 43 GLN HE2- 5.50 (# 1441:15 Unique 2.26, 3.41 A)
&rst
ixpk= 1441, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 669, 670,
igr2= 674, 675,
&end
#
# 40 LEU MDX 43 GLN HE2- 5.50 (# 1442:15 Unique 3.66, 6.44 A)
&rst
ixpk= 1442, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 619, 620, 621, 623, 624, 625,
igr2= 674, 675,
&end
#
# 42 THR HN 44 VAL HN 5.50 (# 1443:15 Unique 4.29, 4.46 A)
&rst
ixpk= 1443, nxpk= 15, iat= 648, 679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL HA 44 VAL HN 3.50 (# 1444:15 Unique 2.86, 2.92 A)
&rst
ixpk= 1444, nxpk= 15, iat= 681, 679, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 LEU HA 44 VAL HN 5.50 (# 1445:15 Unique 3.49, 3.58 A)
&rst
ixpk= 1445, nxpk= 15, iat= 631, 679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 GLN QB 44 VAL HN 3.50 (# 1446:15 Unique 2.70, 3.28 A)
&rst
ixpk= 1446, nxpk= 15, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 666, 667,
&end
#
# 101 LEU MDX 44 VAL HN 5.50 (# 1447:15 Unique 5.79, 7.49 A)
&rst
ixpk= 1447, nxpk= 15, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1535,1536,1537,1539,1540,1541,
&end
#
# 0 AMB 15-2:1448 44 VAL HN 2.50 (# 1448:15 Single Ambig)
&rst
ixpk= 1448, nxpk= 15, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
690, 691,
&end
#
# 43 GLN HN 44 VAL HN 4.50 (# 1449:15 Unique 2.76, 2.82 A)
&rst
ixpk= 1449, nxpk= 15, iat= 662, 679, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 ALA HN 44 VAL HN 5.50 (# 1450:15 Unique 3.37, 3.90 A)
&rst
ixpk= 1450, nxpk= 15, iat= 702, 679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1451 44 VAL HN 4.50 (# 1451:15 Single Ambig)
&rst
ixpk= 1451, nxpk= 15, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 664, 612,
&end
#
# 0 AMB 15-2:1452 44 VAL HN 4.50 (# 1452:15 Single Ambig)
&rst
ixpk= 1452, nxpk= 15, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 619, 620, 621, 623, 624, 625, 706, 707, 708, 654,
655, 656,
&end
#
# 101 LEU MDY 44 VAL HN 5.50 (# 1453:15 Unique 5.79, 7.49 A)
&rst
ixpk= 1453, nxpk= 15, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1535,1536,1537,1539,1540,1541,
&end
#
# 40 LEU MDX 44 VAL HN 5.50 (# 1454:15 Unique 4.72, 7.00 A)
&rst
ixpk= 1454, nxpk= 15, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 41 LEU MDX 44 VAL HN 5.50 (# 1455:15 Unique 5.28, 7.24 A)
&rst
ixpk= 1455, nxpk= 15, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 63 GLN HA 63 GLN HE2+ 5.50 (# 1456:15 Unique 2.40, 4.23 A)
&rst
ixpk= 1456, nxpk= 15, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 967, 968,
&end
#
# 74 THR HA 63 GLN HE2+ 5.50 (# 1459:15 Unique 2.84, 4.30 A)
&rst
ixpk= 1459, nxpk= 15, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 967, 968,
&end
#
# 63 GLN QG 63 GLN HE2+ 4.50 (# 1460:15 Unique 2.23, 3.26 A)
&rst
ixpk= 1460, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 962, 963,
igr2= 967, 968,
&end
#
# 0 AMB 15-2:1461 0 AMB 15-1:1461 4.50 (# 1461:15 Double Ambig)
&rst
ixpk= 1461, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 959, 960, 820,
igr2= 967, 968, 967, 968,
&end
#
# 67 ALA MB 63 GLN HE2+ 5.50 (# 1462:15 Unique 2.69, 5.32 A)
&rst
ixpk= 1462, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1016,1017,1018,
igr2= 967, 968,
&end
#
# 0 AMB 15-2:1463 0 AMB 15-1:1463 5.50 (# 1463:15 Double Ambig)
&rst
ixpk= 1463, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 822, 823, 824, 826, 827, 828,1135,1136,1137,1139,
1140,1141,
igr2= 967, 968, 967, 968,
&end
#
# 63 GLN HA 63 GLN HE2- 5.50 (# 1466:15 Unique 2.40, 4.23 A)
&rst
ixpk= 1466, nxpk= 15, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 967, 968,
&end
#
# 0 AMB 15-2:1467 63 GLN HE2- 5.50 (# 1467:15 Single Ambig)
&rst
ixpk= 1467, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 959, 960, 820,
igr2= 967, 968,
&end
#
# 67 ALA MB 63 GLN HE2- 5.50 (# 1468:15 Unique 2.69, 5.32 A)
&rst
ixpk= 1468, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1016,1017,1018,
igr2= 967, 968,
&end
#
# 74 THR HA 63 GLN HE2- 5.50 (# 1469:15 Unique 2.84, 4.30 A)
&rst
ixpk= 1469, nxpk= 15, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 967, 968,
&end
#
# 63 GLN QG 63 GLN HE2- 5.50 (# 1470:15 Unique 2.23, 3.26 A)
&rst
ixpk= 1470, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 962, 963,
igr2= 967, 968,
&end
#
# 75 VAL MGY 63 GLN HE2- 5.50 (# 1471:15 Unique 2.78, 5.57 A)
&rst
ixpk= 1471, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1135,1136,1137,1139,1140,1141,
igr2= 967, 968,
&end
#
# 109 ALA HN 110 THR HN 3.50 (# 1472:15 Unique 2.34, 2.50 A)
&rst
ixpk= 1472, nxpk= 15, iat=1646,1656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1474 110 THR HN 3.50 (# 1474:15 Single Ambig)
&rst
ixpk= 1474, nxpk= 15, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1658,1648,
&end
#
# 105 GLN HA 110 THR HN 5.50 (# 1475:15 Unique 2.80, 3.16 A)
&rst
ixpk= 1475, nxpk= 15, iat=1599,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HB+ 110 THR HN 5.50 (# 1476:15 Unique 2.66, 4.01 A)
&rst
ixpk= 1476, nxpk= 15, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1582,1583,
&end
#
# 109 ALA MB 110 THR HN 3.50 (# 1477:15 Unique 2.39, 3.59 A)
&rst
ixpk= 1477, nxpk= 15, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1650,1651,1652,
&end
#
# 104 LEU HB- 110 THR HN 5.50 (# 1478:15 Unique 2.66, 4.01 A)
&rst
ixpk= 1478, nxpk= 15, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1582,1583,
&end
#
# 110 THR MG2 110 THR HN 4.50 (# 1479:15 Unique 2.49, 3.64 A)
&rst
ixpk= 1479, nxpk= 15, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1662,1663,1664,
&end
#
# 0 AMB 15-2:1480 110 THR HN 5.50 (# 1480:15 Single Ambig)
&rst
ixpk= 1480, nxpk= 15, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1535,1536,1537,1539,1540,1541, 338, 339, 340, 342,
343, 344,
&end
#
# 44 VAL HB 45 GLY HN 5.50 (# 1481:15 Unique 4.06, 4.31 A)
&rst
ixpk= 1481, nxpk= 15, iat= 683, 695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 THR HN 45 GLY HN 5.50 (# 1482:15 Unique 4.67, 4.94 A)
&rst
ixpk= 1482, nxpk= 15, iat= 648, 695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ALA HN 45 GLY HN 3.50 (# 1483:15 Unique 2.30, 2.56 A)
&rst
ixpk= 1483, nxpk= 15, iat= 702, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 VAL HA 45 GLY HN 4.50 (# 1484:15 Unique 3.16, 3.38 A)
&rst
ixpk= 1484, nxpk= 15, iat= 681, 695, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 GLY HA+ 45 GLY HN 3.50 (# 1485:15 Unique 2.26, 2.58 A)
&rst
ixpk= 1485, nxpk= 15, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 697, 698,
&end
#
# 45 GLY HA- 45 GLY HN 2.50 (# 1486:15 Unique 2.26, 2.58 A)
&rst
ixpk= 1486, nxpk= 15, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 697, 698,
&end
#
# 43 GLN QB 45 GLY HN 5.50 (# 1487:15 Unique 4.79, 5.06 A)
&rst
ixpk= 1487, nxpk= 15, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 666, 667,
&end
#
# 0 AMB 15-2:1488 45 GLY HN 4.50 (# 1488:15 Single Ambig)
&rst
ixpk= 1488, nxpk= 15, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 706, 707, 708, 654, 655, 656,
&end
#
# 0 AMB 15-2:1489 45 GLY HN 3.50 (# 1489:15 Single Ambig)
&rst
ixpk= 1489, nxpk= 15, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
690, 691,
&end
#
# 43 GLN HN 45 GLY HN 5.50 (# 1490:15 Unique 3.84, 3.94 A)
&rst
ixpk= 1490, nxpk= 15, iat= 662, 695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ALA HA 45 GLY HN 5.50 (# 1491:15 Unique 4.95, 5.18 A)
&rst
ixpk= 1491, nxpk= 15, iat= 704, 695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ASN HD2- 84 GLN HE2+ 5.50 (# 1492:15 Unique 2.26, 4.05 A)
&rst
ixpk= 1492, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1168,1169,
igr2=1276,1277,
&end
#
# 86 GLY HA- 84 GLN HE2+ 5.50 (# 1494:15 Unique 2.30, 4.35 A)
&rst
ixpk= 1494, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1302,1303,
igr2=1276,1277,
&end
#
# 84 GLN HG- 84 GLN HE2+ 4.50 (# 1495:15 Unique 2.18, 3.16 A)
&rst
ixpk= 1495, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1271,1272,
igr2=1276,1277,
&end
#
# 84 GLN HG+ 84 GLN HE2+ 4.50 (# 1496:15 Unique 2.18, 3.16 A)
&rst
ixpk= 1496, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1271,1272,
igr2=1276,1277,
&end
#
# 70 THR MG2 84 GLN HE2+ 5.50 (# 1497:15 Unique 2.70, 4.80 A)
&rst
ixpk= 1497, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1069,1070,1071,
igr2=1276,1277,
&end
#
# 77 ASN HD2+ 84 GLN HE2+ 5.50 (# 1498:15 Unique 2.26, 4.05 A)
&rst
ixpk= 1498, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1168,1169,
igr2=1276,1277,
&end
#
# 70 THR HB 84 GLN HE2+ 5.50 (# 1499:15 Unique 1.80, 3.61 A)
&rst
ixpk= 1499, nxpk= 15, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1276,1277,
&end
#
# 72 ARG HD- 84 GLN HE2+ 5.50 (# 1500:15 Unique 2.39, 4.48 A)
&rst
ixpk= 1500, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1094,1095,
igr2=1276,1277,
&end
#
# 84 GLN HB- 84 GLN HE2+ 5.50 (# 1501:15 Unique 3.69, 4.72 A)
&rst
ixpk= 1501, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1268,1269,
igr2=1276,1277,
&end
#
# 77 ASN HD2+ 84 GLN HE2- 5.50 (# 1502:15 Unique 2.26, 4.05 A)
&rst
ixpk= 1502, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1168,1169,
igr2=1276,1277,
&end
#
# 77 ASN HD2- 84 GLN HE2- 5.50 (# 1503:15 Unique 2.26, 4.05 A)
&rst
ixpk= 1503, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1168,1169,
igr2=1276,1277,
&end
#
# 86 GLY HA+ 84 GLN HE2- 5.50 (# 1505:15 Unique 2.30, 4.35 A)
&rst
ixpk= 1505, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1302,1303,
igr2=1276,1277,
&end
#
# 70 THR HB 84 GLN HE2- 5.50 (# 1506:15 Unique 1.80, 3.61 A)
&rst
ixpk= 1506, nxpk= 15, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1276,1277,
&end
#
# 86 GLY HA- 84 GLN HE2- 5.50 (# 1507:15 Unique 2.30, 4.35 A)
&rst
ixpk= 1507, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1302,1303,
igr2=1276,1277,
&end
#
# 72 ARG HD- 84 GLN HE2- 5.50 (# 1508:15 Unique 2.39, 4.48 A)
&rst
ixpk= 1508, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1094,1095,
igr2=1276,1277,
&end
#
# 84 GLN HG- 84 GLN HE2- 5.50 (# 1509:15 Unique 2.18, 3.16 A)
&rst
ixpk= 1509, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1271,1272,
igr2=1276,1277,
&end
#
# 84 GLN HG+ 84 GLN HE2- 4.50 (# 1510:15 Unique 2.18, 3.16 A)
&rst
ixpk= 1510, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1271,1272,
igr2=1276,1277,
&end
#
# 70 THR MG2 84 GLN HE2- 5.50 (# 1511:15 Unique 2.70, 4.80 A)
&rst
ixpk= 1511, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1069,1070,1071,
igr2=1276,1277,
&end
#
# 73 GLY HN 74 THR HN 4.50 (# 1512:15 Unique 2.50, 2.89 A)
&rst
ixpk= 1512, nxpk= 15, iat=1108,1115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 VAL HN 74 THR HN 5.50 (# 1513:15 Unique 4.31, 4.59 A)
&rst
ixpk= 1513, nxpk= 15, iat=1129,1115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1514 74 THR HN 3.50 (# 1514:15 Single Ambig)
&rst
ixpk= 1514, nxpk= 15, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1117,1086,
&end
#
# 73 GLY HA+ 74 THR HN 4.50 (# 1515:15 Unique 2.77, 3.33 A)
&rst
ixpk= 1515, nxpk= 15, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1110,1111,
&end
#
# 72 ARG HD+ 74 THR HN 5.50 (# 1516:15 Unique 2.94, 4.98 A)
&rst
ixpk= 1516, nxpk= 15, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1094,1095,
&end
#
# 72 ARG HD- 74 THR HN 5.50 (# 1517:15 Unique 2.94, 4.98 A)
&rst
ixpk= 1517, nxpk= 15, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1094,1095,
&end
#
# 72 ARG HG- 74 THR HN 4.50 (# 1518:15 Unique 2.29, 3.57 A)
&rst
ixpk= 1518, nxpk= 15, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1091,1092,
&end
#
# 74 THR MG2 74 THR HN 4.50 (# 1519:15 Unique 2.50, 3.63 A)
&rst
ixpk= 1519, nxpk= 15, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1121,1122,1123,
&end
#
# 77 ASN HD2+ 74 THR HN 5.50 (# 1520:15 Unique 2.99, 4.91 A)
&rst
ixpk= 1520, nxpk= 15, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1168,1169,
&end
#
# 0 AMB 15-2:1521 74 THR HN 7.00 (# 1521:15 Single Ambig)
&rst
ixpk= 1521, nxpk= 15, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 967, 968,1097,
&end
#
# 74 THR HB 74 THR HN 4.50 (# 1523:15 Unique 2.85, 3.42 A)
&rst
ixpk= 1523, nxpk= 15, iat=1119,1115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 GLY HA- 74 THR HN 4.50 (# 1524:15 Unique 2.77, 3.33 A)
&rst
ixpk= 1524, nxpk= 15, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1110,1111,
&end
#
# 72 ARG HG+ 74 THR HN 4.50 (# 1525:15 Unique 2.29, 3.57 A)
&rst
ixpk= 1525, nxpk= 15, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1091,1092,
&end
#
# 0 AMB 15-2:1526 74 THR HN 5.50 (# 1526:15 Single Ambig)
&rst
ixpk= 1526, nxpk= 15, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
1140,1141,
&end
#
# 58 ASP HB- 59 GLY HN 5.50 (# 1527:15 Unique 3.95, 4.39 A)
&rst
ixpk= 1527, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 893, 894,
&end
#
# 0 AMB 15-2:1528 59 GLY HN 5.50 (# 1528:15 Single Ambig)
&rst
ixpk= 1528, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 893, 894, 926, 927,
&end
#
# 58 ASP HN 59 GLY HN 3.50 (# 1529:15 Unique 2.24, 2.32 A)
&rst
ixpk= 1529, nxpk= 15, iat= 889, 901, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 GLN HN 59 GLY HN 5.50 (# 1530:15 Unique 4.19, 4.62 A)
&rst
ixpk= 1530, nxpk= 15, iat= 919, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 LEU HN 59 GLY HN 5.50 (# 1531:15 Unique 4.13, 4.42 A)
&rst
ixpk= 1531, nxpk= 15, iat= 859, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ASP HA 59 GLY HN 4.50 (# 1532:15 Unique 2.84, 2.95 A)
&rst
ixpk= 1532, nxpk= 15, iat= 891, 901, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 SER QB 59 GLY HN 5.50 (# 1534:15 Unique 5.27, 6.12 A)
&rst
ixpk= 1534, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 912, 913,
&end
#
# 57 SER HA 59 GLY HN 5.50 (# 1535:15 Unique 4.03, 4.12 A)
&rst
ixpk= 1535, nxpk= 15, iat= 880, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLY HA+ 59 GLY HN 3.50 (# 1536:15 Unique 2.23, 2.48 A)
&rst
ixpk= 1536, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 903, 904,
&end
#
# 62 LEU HB+ 59 GLY HN 5.50 (# 1537:15 Unique 4.43, 5.12 A)
&rst
ixpk= 1537, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 940, 941,
&end
#
# 56 LEU HG 59 GLY HN 5.50 (# 1538:15 Unique 2.98, 3.48 A)
&rst
ixpk= 1538, nxpk= 15, iat= 866, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 LEU HB+ 59 GLY HN 4.50 (# 1539:15 Unique 2.69, 3.88 A)
&rst
ixpk= 1539, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 863, 864,
&end
#
# 56 LEU HB- 59 GLY HN 4.50 (# 1540:15 Unique 2.69, 3.88 A)
&rst
ixpk= 1540, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 863, 864,
&end
#
# 53 LEU MDX 59 GLY HN 5.50 (# 1541:15 Unique 4.85, 7.15 A)
&rst
ixpk= 1541, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 56 LEU MDX 59 GLY HN 5.50 (# 1542:15 Unique 3.14, 5.30 A)
&rst
ixpk= 1542, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 868, 869, 870, 872, 873, 874,
&end
#
# 0 AMB 15-2:1543 59 GLY HN 5.50 (# 1543:15 Single Ambig)
&rst
ixpk= 1543, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 936, 955,
&end
#
# 0 AMB 15-2:1544 59 GLY HN 4.50 (# 1544:15 Single Ambig)
&rst
ixpk= 1544, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 815, 882, 883,
&end
#
# 0 AMB 15-2:1545 59 GLY HN 5.50 (# 1545:15 Single Ambig)
&rst
ixpk= 1545, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 820, 923, 924, 959, 960,
&end
#
# 88 CYS HN 87 GLY HN 5.50 (# 1546:15 Unique 4.21, 4.27 A)
&rst
ixpk= 1546, nxpk= 15, iat=1314,1307, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 GLY HA+ 87 GLY HN 4.50 (# 1548:15 Unique 2.41, 2.76 A)
&rst
ixpk= 1548, nxpk= 15, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1309,1310,
&end
#
# 86 GLY HA+ 87 GLY HN 3.50 (# 1549:15 Unique 2.16, 2.63 A)
&rst
ixpk= 1549, nxpk= 15, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1302,1303,
&end
#
# 90 THR HB 87 GLY HN 4.50 (# 1550:15 Unique 2.37, 2.51 A)
&rst
ixpk= 1550, nxpk= 15, iat=1341,1307, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1551 87 GLY HN 3.50 (# 1551:15 Single Ambig)
&rst
ixpk= 1551, nxpk= 15, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1302,1303,1309,1310,
&end
#
# 72 ARG HD+ 87 GLY HN 5.50 (# 1552:15 Unique 4.08, 5.07 A)
&rst
ixpk= 1552, nxpk= 15, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1094,1095,
&end
#
# 90 THR MG2 87 GLY HN 4.50 (# 1553:15 Unique 3.60, 4.26 A)
&rst
ixpk= 1553, nxpk= 15, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1343,1344,1345,
&end
#
# 0 AMB 15-2:1554 87 GLY HN 5.50 (# 1554:15 Single Ambig)
&rst
ixpk= 1554, nxpk= 15, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
1362,1363,
&end
#
# 85 ILE MG2 87 GLY HN 5.50 (# 1555:15 Unique 4.76, 6.10 A)
&rst
ixpk= 1555, nxpk= 15, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1287,1288,1289,
&end
#
# 86 GLY HN 87 GLY HN 5.50 (# 1556:15 Unique 3.99, 4.16 A)
&rst
ixpk= 1556, nxpk= 15, iat=1300,1307, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ALA HN 19 SER HN 5.50 (# 1557:15 Unique 4.15, 4.40 A)
&rst
ixpk= 1557, nxpk= 15, iat= 308, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ALA HN 19 SER HN 4.50 (# 1558:15 Unique 2.78, 2.83 A)
&rst
ixpk= 1558, nxpk= 15, iat= 276, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 SER HN 19 SER HN 3.50 (# 1559:15 Unique 2.01, 2.22 A)
&rst
ixpk= 1559, nxpk= 15, iat= 297, 286, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 SER HA 19 SER HN 4.50 (# 1561:15 Unique 2.94, 2.98 A)
&rst
ixpk= 1561, nxpk= 15, iat= 288, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 SER HA 19 SER HN 5.50 (# 1562:15 Unique 4.48, 4.64 A)
&rst
ixpk= 1562, nxpk= 15, iat= 299, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 SER HB- 19 SER HN 3.50 (# 1563:15 Unique 2.51, 3.19 A)
&rst
ixpk= 1563, nxpk= 15, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 290, 291,
&end
#
# 0 AMB 15-2:1564 19 SER HN 4.50 (# 1564:15 Single Ambig)
&rst
ixpk= 1564, nxpk= 15, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 278, 222,1237,1238,
&end
#
# 0 AMB 15-2:1565 19 SER HN 3.50 (# 1565:15 Single Ambig)
&rst
ixpk= 1565, nxpk= 15, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 280, 281, 282, 354, 355, 356, 358, 359, 360,
&end
#
# 24 VAL MGX 19 SER HN 5.50 (# 1566:15 Unique 3.75, 5.46 A)
&rst
ixpk= 1566, nxpk= 15, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 17 LEU HN 19 SER HN 5.50 (# 1567:15 Unique 4.02, 4.08 A)
&rst
ixpk= 1567, nxpk= 15, iat= 257, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1568 19 SER HN 5.50 (# 1568:15 Single Ambig)
&rst
ixpk= 1568, nxpk= 15, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 242, 220,
&end
#
# 19 SER HB+ 19 SER HN 4.50 (# 1569:15 Unique 2.51, 3.19 A)
&rst
ixpk= 1569, nxpk= 15, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 290, 291,
&end
#
# 80 ILE HN 82 GLY HN 5.50 (# 1570:15 Unique 3.79, 3.96 A)
&rst
ixpk= 1570, nxpk= 15, iat=1209,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 PHE HB+ 82 GLY HN 5.50 (# 1571:15 Unique 3.55, 4.38 A)
&rst
ixpk= 1571, nxpk= 15, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1193,1194,
&end
#
# 83 LYS HN 82 GLY HN 4.50 (# 1572:15 Unique 2.68, 2.74 A)
&rst
ixpk= 1572, nxpk= 15, iat=1242,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1573 82 GLY HN 5.50 (# 1573:15 Single Ambig)
&rst
ixpk= 1573, nxpk= 15, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1211, 334,
&end
#
# 0 AMB 15-2:1575 82 GLY HN 5.50 (# 1575:15 Single Ambig)
&rst
ixpk= 1575, nxpk= 15, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 288,1244,
&end
#
# 81 GLY HA+ 82 GLY HN 5.50 (# 1576:15 Unique 2.98, 3.29 A)
&rst
ixpk= 1576, nxpk= 15, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1230,1231,
&end
#
# 82 GLY HA- 82 GLY HN 3.50 (# 1577:15 Unique 2.28, 2.57 A)
&rst
ixpk= 1577, nxpk= 15, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1237,1238,
&end
#
# 81 GLY HN 82 GLY HN 4.50 (# 1578:15 Unique 2.75, 2.80 A)
&rst
ixpk= 1578, nxpk= 15, iat=1228,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 GLY HA- 82 GLY HN 4.50 (# 1579:15 Unique 2.98, 3.29 A)
&rst
ixpk= 1579, nxpk= 15, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1230,1231,
&end
#
# 79 PHE HB- 82 GLY HN 5.50 (# 1580:15 Unique 3.55, 4.38 A)
&rst
ixpk= 1580, nxpk= 15, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1193,1194,
&end
#
# 0 AMB 15-2:1581 82 GLY HN 5.50 (# 1581:15 Single Ambig)
&rst
ixpk= 1581, nxpk= 15, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1249,1250,1630,1631,1632,
&end
#
# 80 ILE MG2 82 GLY HN 5.50 (# 1582:15 Unique 5.07, 5.66 A)
&rst
ixpk= 1582, nxpk= 15, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1215,1216,1217,
&end
#
# 0 AMB 15-2:1583 82 GLY HN 5.50 (# 1583:15 Single Ambig)
&rst
ixpk= 1583, nxpk= 15, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1197,1205, 286,
&end
#
# 0 AMB 15-2:1584 82 GLY HN 5.50 (# 1584:15 Single Ambig)
&rst
ixpk= 1584, nxpk= 15, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1246,1247, 352,
&end
#
# 77 ASN HB- 77 ASN HD2+ 5.50 (# 1586:15 Unique 2.18, 3.19 A)
&rst
ixpk= 1586, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1163,1164,
igr2=1168,1169,
&end
#
# 66 LEU MDX 77 ASN HD2+ 5.50 (# 1587:15 Unique 2.18, 5.24 A)
&rst
ixpk= 1587, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1002,1003,1004,1006,1007,1008,
igr2=1168,1169,
&end
#
# 66 LEU MDY 77 ASN HD2+ 5.50 (# 1588:15 Unique 2.18, 5.24 A)
&rst
ixpk= 1588, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1002,1003,1004,1006,1007,1008,
igr2=1168,1169,
&end
#
# 77 ASN HB+ 77 ASN HD2+ 5.50 (# 1589:15 Unique 2.18, 3.19 A)
&rst
ixpk= 1589, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1163,1164,
igr2=1168,1169,
&end
#
# 0 AMB 15-2:1590 0 AMB 15-1:1590 5.50 (# 1590:15 Double Ambig)
&rst
ixpk= 1590, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1091,1092,1088,1089,
igr2=1168,1169,1168,1169,
&end
#
# 77 ASN HB- 77 ASN HD2- 5.50 (# 1591:15 Unique 2.18, 3.19 A)
&rst
ixpk= 1591, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1163,1164,
igr2=1168,1169,
&end
#
# 0 AMB 15-2:1592 77 ASN HD2- 4.50 (# 1592:15 Single Ambig)
&rst
ixpk= 1592, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1069,1070,1071,1002,1003,1004,1006,1007,1008,
igr2=1168,1169,
&end
#
# 77 ASN HB+ 77 ASN HD2- 5.50 (# 1593:15 Unique 2.18, 3.19 A)
&rst
ixpk= 1593, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1163,1164,
igr2=1168,1169,
&end
#
# 0 AMB 15-2:1594 77 ASN HD2- 5.50 (# 1594:15 Single Ambig)
&rst
ixpk= 1594, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1088,1089,1000,
igr2=1168,1169,
&end
#
# 0 AMB 15-2:1596 70 THR HN 5.50 (# 1596:15 Single Ambig)
&rst
ixpk= 1596, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1091,1092,1016,1017,1018, 987, 988, 989,
&end
#
# 69 TRP HN 70 THR HN 4.50 (# 1597:15 Unique 2.62, 2.69 A)
&rst
ixpk= 1597, nxpk= 15, iat=1039,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 GLY HN 70 THR HN 3.50 (# 1598:15 Unique 2.12, 2.37 A)
&rst
ixpk= 1598, nxpk= 15, iat=1077,1063, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 TRP HE3 70 THR HN 5.50 (# 1599:15 Unique 4.19, 4.81 A)
&rst
ixpk= 1599, nxpk= 15, iat=1058,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1601 70 THR HN 4.50 (# 1601:15 Single Ambig)
&rst
ixpk= 1601, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1079,1080,1024,
&end
#
# 0 AMB 15-2:1602 70 THR HN 4.50 (# 1602:15 Single Ambig)
&rst
ixpk= 1602, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1065, 995,
&end
#
# 67 ALA HA 70 THR HN 4.50 (# 1603:15 Unique 3.62, 3.86 A)
&rst
ixpk= 1603, nxpk= 15, iat=1014,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1604 70 THR HN 3.50 (# 1604:15 Single Ambig)
&rst
ixpk= 1604, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1043,1044,1043,1044,
&end
#
# 70 THR MG2 70 THR HN 3.50 (# 1605:15 Unique 2.32, 3.32 A)
&rst
ixpk= 1605, nxpk= 15, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1069,1070,1071,
&end
#
# 78 VAL HN 86 GLY HN 4.50 (# 1607:15 Unique 2.99, 3.07 A)
&rst
ixpk= 1607, nxpk= 15, iat=1173,1300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 GLY HA- 86 GLY HN 4.50 (# 1609:15 Unique 2.72, 2.82 A)
&rst
ixpk= 1609, nxpk= 15, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1302,1303,
&end
#
# 0 AMB 15-2:1610 86 GLY HN 5.50 (# 1610:15 Single Ambig)
&rst
ixpk= 1610, nxpk= 15, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
1362,1363,
&end
#
# 85 ILE MG2 86 GLY HN 4.50 (# 1611:15 Unique 2.99, 4.33 A)
&rst
ixpk= 1611, nxpk= 15, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1287,1288,1289,
&end
#
# 85 ILE HN 86 GLY HN 4.50 (# 1612:15 Unique 2.08, 2.19 A)
&rst
ixpk= 1612, nxpk= 15, iat=1281,1300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 GLY HA+ 86 GLY HN 4.50 (# 1613:15 Unique 2.72, 2.82 A)
&rst
ixpk= 1613, nxpk= 15, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1302,1303,
&end
#
# 85 ILE HA 86 GLY HN 5.50 (# 1614:15 Unique 3.62, 3.65 A)
&rst
ixpk= 1614, nxpk= 15, iat=1283,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1615 86 GLY HN 5.50 (# 1615:15 Single Ambig)
&rst
ixpk= 1615, nxpk= 15, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1266,1094,1095,
&end
#
# 78 VAL HB 86 GLY HN 5.50 (# 1616:15 Unique 3.04, 3.24 A)
&rst
ixpk= 1616, nxpk= 15, iat=1177,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1617 86 GLY HN 4.50 (# 1617:15 Single Ambig)
&rst
ixpk= 1617, nxpk= 15, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1285,1271,1272,
&end
#
# 84 GLN HG+ 86 GLY HN 5.50 (# 1618:15 Unique 2.65, 4.50 A)
&rst
ixpk= 1618, nxpk= 15, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1271,1272,
&end
#
# 85 ILE HG1+ 86 GLY HN 5.50 (# 1619:15 Unique 4.17, 4.61 A)
&rst
ixpk= 1619, nxpk= 15, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1291,1292,
&end
#
# 78 VAL MGX 86 GLY HN 5.50 (# 1620:15 Unique 4.21, 5.42 A)
&rst
ixpk= 1620, nxpk= 15, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1179,1180,1181,1183,1184,1185,
&end
#
# 0 AMB 15-2:1621 86 GLY HN 5.50 (# 1621:15 Single Ambig)
&rst
ixpk= 1621, nxpk= 15, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1268,1269,1343,1344,1345,
&end
#
# 115 ALA MB 117 LEU HN 7.00 (# 1622:15 Unique 2.64, 6.49 A)
&rst
ixpk= 1622, nxpk= 15, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1734,1735,1736,
&end
#
# 0 AMB 15-2:1623 117 LEU HN 5.50 (# 1623:15 Single Ambig)
&rst
ixpk= 1623, nxpk= 15, iat= -1,1757, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1766,1767,1768,1770,1771,1772,1766,1767,1768,1770,
1771,1772,
&end
#
# 26 PHE HD 51 VAL HN 5.50 (# 1624:15 Unique 4.98, 5.77 A)
&rst
ixpk= 1624, nxpk= 15, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 388, 396,
&end
#
# 0 AMB 15-2:1626 51 VAL HN 5.50 (# 1626:15 Single Ambig)
&rst
ixpk= 1626, nxpk= 15, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 366, 746,
&end
#
# 25 VAL MGY 51 VAL HN 5.50 (# 1627:15 Unique 4.25, 5.82 A)
&rst
ixpk= 1627, nxpk= 15, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 370, 371, 372, 374, 375, 376,
&end
#
# 23 VAL HA 79 PHE HN 5.50 (# 1628:15 Unique 4.54, 4.59 A)
&rst
ixpk= 1628, nxpk= 15, iat= 334,1189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1629 79 PHE HN 5.50 (# 1629:15 Single Ambig)
&rst
ixpk= 1629, nxpk= 15, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1266, 384, 385,
&end
#
# 0 AMB 15-2:1630 79 PHE HN 5.50 (# 1630:15 Single Ambig)
&rst
ixpk= 1630, nxpk= 15, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1219,1220,1271,1272,
&end
#
# 0 AMB 15-2:1631 79 PHE HN 5.50 (# 1631:15 Single Ambig)
&rst
ixpk= 1631, nxpk= 15, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 370, 371, 372, 374, 375, 376,1294,1295,1296,
&end
#
# 0 AMB 15-2:1632 69 TRP HE1 7.00 (# 1632:15 Single Ambig)
&rst
ixpk= 1632, nxpk= 15, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1264,1039,
&end
#
# 69 TRP HZ3 69 TRP HE1 7.00 (# 1634:15 Unique 5.99, 6.00 A)
&rst
ixpk= 1634, nxpk= 15, iat=1056,1049, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 15 LYS HA 69 TRP HE1 7.00 (# 1635:15 Unique 5.94, 6.45 A)
&rst
ixpk= 1635, nxpk= 15, iat= 222,1049, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 36 ARG HN 33 TYR HN 5.50 (# 1636:15 Unique 4.34, 4.55 A)
&rst
ixpk= 1636, nxpk= 15, iat= 531, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 CYS HB- 33 TYR HN 5.50 (# 1637:15 Unique 5.70, 6.07 A)
&rst
ixpk= 1637, nxpk= 15, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1318,1319,
&end
#
# 32 GLY HN 34 CYS HN 5.50 (# 1639:15 Unique 4.07, 4.26 A)
&rst
ixpk= 1639, nxpk= 15, iat= 478, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 TYR HD 34 CYS HN 5.50 (# 1640:15 Unique 4.49, 5.16 A)
&rst
ixpk= 1640, nxpk= 15, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 493, 502,
&end
#
# 36 ARG HN 34 CYS HN 5.50 (# 1642:15 Unique 3.84, 3.99 A)
&rst
ixpk= 1642, nxpk= 15, iat= 531, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1643 34 CYS HN 5.50 (# 1643:15 Single Ambig)
&rst
ixpk= 1643, nxpk= 15, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 561, 562, 563, 565, 566, 567,1135,1136,1137,1139,
1140,1141,1135,1136,1137,1139,1140,1141,
&end
#
# 0 AMB 15-2:1644 34 CYS HN 7.00 (# 1644:15 Single Ambig)
&rst
ixpk= 1644, nxpk= 15, iat= -1, 506, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
igr1= 561, 562, 563, 565, 566, 567, 415, 416, 415, 416,
&end
#
# 0 AMB 15-2:1645 34 CYS HN 5.50 (# 1645:15 Single Ambig)
&rst
ixpk= 1645, nxpk= 15, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1149,1150,1152,1153,
&end
#
# 79 PHE HD 24 VAL HN 5.50 (# 1646:15 Unique 4.83, 5.73 A)
&rst
ixpk= 1646, nxpk= 15, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1197,1205,
&end
#
# 48 TYR HB- 24 VAL HN 5.50 (# 1647:15 Unique 4.60, 5.16 A)
&rst
ixpk= 1647, nxpk= 15, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 727, 728,
&end
#
# 0 AMB 15-2:1648 24 VAL HN 4.50 (# 1648:15 Single Ambig)
&rst
ixpk= 1648, nxpk= 15, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1179,1180,1181,1183,1184,1185, 370, 371, 372, 374,
375, 376,
&end
#
# 0 AMB 15-2:1659 26 PHE HN 5.50 (# 1659:15 Single Ambig)
&rst
ixpk= 1659, nxpk= 15, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1155, 402,
&end
#
# 26 PHE HB+ 26 PHE HN 4.50 (# 1660:15 Unique 2.38, 3.04 A)
&rst
ixpk= 1660, nxpk= 15, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 384, 385,
&end
#
# 53 LEU MDX 26 PHE HN 5.50 (# 1662:15 Unique 5.67, 7.18 A)
&rst
ixpk= 1662, nxpk= 15, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 66 LEU MDX 26 PHE HN 5.50 (# 1664:15 Unique 5.00, 6.69 A)
&rst
ixpk= 1664, nxpk= 15, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 55 GLU HN 52 GLU HN 5.50 (# 1665:15 Unique 5.00, 5.25 A)
&rst
ixpk= 1665, nxpk= 15, iat= 844, 798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1666 52 GLU HN 5.50 (# 1666:15 Single Ambig)
&rst
ixpk= 1666, nxpk= 15, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 768, 861,
&end
#
# 79 PHE HD 78 VAL HN 5.50 (# 1667:15 Unique 4.08, 6.04 A)
&rst
ixpk= 1667, nxpk= 15, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1197,1205,
&end
#
# 87 GLY HA+ 78 VAL HN 5.50 (# 1668:15 Unique 2.80, 3.92 A)
&rst
ixpk= 1668, nxpk= 15, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1309,1310,
&end
#
# 0 AMB 15-2:1669 78 VAL HN 7.00 (# 1669:15 Single Ambig)
&rst
ixpk= 1669, nxpk= 15, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1131,1283,
&end
#
# 0 AMB 15-2:1671 78 VAL HN 5.50 (# 1671:15 Single Ambig)
&rst
ixpk= 1671, nxpk= 15, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1271,1272,1088,1089,
&end
#
# 55 GLU HN 53 LEU HN 5.50 (# 1672:15 Unique 4.25, 4.50 A)
&rst
ixpk= 1672, nxpk= 15, iat= 844, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1673 53 LEU HN 5.50 (# 1673:15 Single Ambig)
&rst
ixpk= 1673, nxpk= 15, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 424, 425, 384, 385,
&end
#
# 0 AMB 15-2:1674 53 LEU HN 5.50 (# 1674:15 Single Ambig)
&rst
ixpk= 1674, nxpk= 15, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 836, 837, 510, 511,
&end
#
# 53 LEU HB- 53 LEU HN 4.50 (# 1675:15 Unique 2.22, 2.97 A)
&rst
ixpk= 1675, nxpk= 15, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 817, 818,
&end
#
# 0 AMB 15-2:1676 25 VAL HN 5.50 (# 1676:15 Single Ambig)
&rst
ixpk= 1676, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 727, 728,1193,1194,
&end
#
# 86 GLY HA- 85 ILE HN 5.50 (# 1677:15 Unique 4.35, 4.67 A)
&rst
ixpk= 1677, nxpk= 15, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1302,1303,
&end
#
# 49 LYS QD 25 VAL HN 5.50 (# 1678:15 Unique 4.11, 5.86 A)
&rst
ixpk= 1678, nxpk= 15, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 754, 755,
&end
#
# 63 GLN HE2- 67 ALA HN 5.50 (# 1679:15 Unique 2.86, 5.07 A)
&rst
ixpk= 1679, nxpk= 15, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 967, 968,
&end
#
# 68 HIS HD2 0 AMB 15-1:1680 5.50 (# 1680:15 Single Ambig)
&rst
ixpk= 1680, nxpk= 15, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 983,1012,
&end
#
# 0 AMB 15-2:1681 0 AMB 15-1:1681 3.50 (# 1681:15 Double Ambig)
&rst
ixpk= 1681, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 976, 977, 957,
igr2= 983,1012,
&end
#
# 51 VAL HA 50 VAL HN 5.50 (# 1682:15 Unique 4.59, 4.77 A)
&rst
ixpk= 1682, nxpk= 15, iat= 784, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1683 50 VAL HN 5.50 (# 1683:15 Single Ambig)
&rst
ixpk= 1683, nxpk= 15, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 757, 758, 584, 585,
&end
#
# 24 VAL MGX 50 VAL HN 5.50 (# 1684:15 Unique 4.68, 6.40 A)
&rst
ixpk= 1684, nxpk= 15, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 25 VAL MGY 50 VAL HN 5.50 (# 1685:15 Unique 5.44, 7.17 A)
&rst
ixpk= 1685, nxpk= 15, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 370, 371, 372, 374, 375, 376,
&end
#
# 79 PHE HZ 84 GLN HN 5.50 (# 1689:15 Unique 4.50, 5.03 A)
&rst
ixpk= 1689, nxpk= 15, iat=1201,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 ILE HA 84 GLN HN 5.50 (# 1690:15 Unique 5.38, 5.44 A)
&rst
ixpk= 1690, nxpk= 15, iat=1283,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ALA MB 84 GLN HN 5.50 (# 1691:15 Unique 5.89, 6.74 A)
&rst
ixpk= 1691, nxpk= 15, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 280, 281, 282,
&end
#
# 83 LYS QE 84 GLN HN 5.50 (# 1692:15 Unique 4.08, 5.19 A)
&rst
ixpk= 1692, nxpk= 15, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1255,1256,
&end
#
# 70 THR HB 84 GLN HN 7.00 (# 1693:15 Unique 5.87, 6.77 A)
&rst
ixpk= 1693, nxpk= 15, iat=1067,1264, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 43 GLN HE2+ 43 GLN HN 5.50 (# 1694:15 Unique 2.64, 4.00 A)
&rst
ixpk= 1694, nxpk= 15, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 674, 675,
&end
#
# 41 LEU MDX 43 GLN HN 5.50 (# 1696:15 Unique 5.86, 7.53 A)
&rst
ixpk= 1696, nxpk= 15, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 61 GLN HE2- 61 GLN HN 5.50 (# 1697:15 Unique 3.97, 5.04 A)
&rst
ixpk= 1697, nxpk= 15, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 931, 932,
&end
#
# 59 GLY HA+ 61 GLN HN 5.50 (# 1698:15 Unique 4.23, 4.67 A)
&rst
ixpk= 1698, nxpk= 15, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 903, 904,
&end
#
# 61 GLN HB- 61 GLN HN 4.50 (# 1699:15 Unique 2.02, 3.09 A)
&rst
ixpk= 1699, nxpk= 15, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 923, 924,
&end
#
# 53 LEU MDX 61 GLN HN 5.50 (# 1700:15 Unique 5.92, 7.83 A)
&rst
ixpk= 1700, nxpk= 15, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 41 LEU MDX 49 LYS HN 5.50 (# 1701:15 Unique 4.88, 7.01 A)
&rst
ixpk= 1701, nxpk= 15, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 15-2:1702 21 ALA HN 7.00 (# 1702:15 Single Ambig)
&rst
ixpk= 1702, nxpk= 15, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 348, 364,
&end
#
# 48 TYR HA 21 ALA HN 7.00 (# 1704:15 Unique 6.44, 6.62 A)
&rst
ixpk= 1704, nxpk= 15, iat= 725, 308, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 VAL HA 21 ALA HN 7.00 (# 1705:15 Unique 6.04, 6.17 A)
&rst
ixpk= 1705, nxpk= 15, iat= 334, 308, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 28 LYS HA 28 LYS HN 5.50 (# 1706:15 Unique 2.91, 2.95 A)
&rst
ixpk= 1706, nxpk= 15, iat= 413, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 GLU HA 100 LEU HN 5.50 (# 1708:15 Unique 3.52, 3.54 A)
&rst
ixpk= 1708, nxpk= 15, iat=1494,1507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1709 100 LEU HN 5.50 (# 1709:15 Single Ambig)
&rst
ixpk= 1709, nxpk= 15, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1411,1412,1411,1412,
&end
#
# 31 CYS HB- 28 LYS HN 5.50 (# 1710:15 Unique 2.52, 4.45 A)
&rst
ixpk= 1710, nxpk= 15, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 473, 472,
&end
#
# 0 AMB 15-2:1711 21 ALA HN 5.50 (# 1711:15 Single Ambig)
&rst
ixpk= 1711, nxpk= 15, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 328,1237,1238,
&end
#
# 0 AMB 15-2:1712 21 ALA HN 5.50 (# 1712:15 Single Ambig)
&rst
ixpk= 1712, nxpk= 15, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 290, 291, 259,
&end
#
# 49 LYS HB- 21 ALA HN 5.50 (# 1713:15 Unique 4.40, 4.83 A)
&rst
ixpk= 1713, nxpk= 15, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 748, 749,
&end
#
# 22 PRO HG+ 21 ALA HN 7.00 (# 1714:15 Unique 6.42, 6.70 A)
&rst
ixpk= 1714, nxpk= 15, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 322, 323,
&end
#
# 0 AMB 15-2:1715 34 CYS HN 5.50 (# 1715:15 Single Ambig)
&rst
ixpk= 1715, nxpk= 15, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1152,1153, 521, 522,
&end
#
# 36 ARG HA 34 CYS HN 7.00 (# 1716:15 Unique 6.61, 6.75 A)
&rst
ixpk= 1716, nxpk= 15, iat= 533, 506, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 25 VAL MGY 24 VAL HN 5.50 (# 1717:15 Unique 3.95, 5.92 A)
&rst
ixpk= 1717, nxpk= 15, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 370, 371, 372, 374, 375, 376,
&end
#
# 6 GLU HB- 7 LEU HN 4.50 (# 1718:15 Unique 2.57, 3.22 A)
&rst
ixpk= 1718, nxpk= 15, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 85, 86,
&end
#
# 0 AMB 15-2:1719 77 ASN HN 5.50 (# 1719:15 Single Ambig)
&rst
ixpk= 1719, nxpk= 15, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1309,1310,1146,1147, 510, 511,
&end
#
# 77 ASN HB- 77 ASN HN 4.50 (# 1720:15 Unique 2.62, 2.94 A)
&rst
ixpk= 1720, nxpk= 15, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1163,1164,
&end
#
# 25 VAL MGY 77 ASN HN 5.50 (# 1721:15 Unique 3.08, 5.52 A)
&rst
ixpk= 1721, nxpk= 15, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 370, 371, 372, 374, 375, 376,
&end
#
# 78 VAL MGX 77 ASN HN 4.50 (# 1722:15 Unique 3.75, 5.62 A)
&rst
ixpk= 1722, nxpk= 15, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1179,1180,1181,1183,1184,1185,
&end
#
# 75 VAL MGY 77 ASN HN 4.50 (# 1723:15 Unique 3.46, 5.75 A)
&rst
ixpk= 1723, nxpk= 15, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1135,1136,1137,1139,1140,1141,
&end
#
# 66 LEU MDY 77 ASN HN 5.50 (# 1724:15 Unique 5.16, 7.51 A)
&rst
ixpk= 1724, nxpk= 15, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 0 AMB 15-2:1725 46 ALA HN 5.50 (# 1725:15 Single Ambig)
&rst
ixpk= 1725, nxpk= 15, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1660, 681,
&end
#
# 0 AMB 15-2:1726 46 ALA HN 5.50 (# 1726:15 Single Ambig)
&rst
ixpk= 1726, nxpk= 15, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 636,1650,1651,1652,
&end
#
# 104 LEU MDX 46 ALA HN 5.50 (# 1727:15 Unique 4.08, 5.74 A)
&rst
ixpk= 1727, nxpk= 15, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1587,1588,1589,1591,1592,1593,
&end
#
# 41 LEU MDY 46 ALA HN 5.50 (# 1728:15 Unique 4.69, 6.38 A)
&rst
ixpk= 1728, nxpk= 15, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 638, 639, 640, 642, 643, 644,
&end
#
# 0 AMB 15-2:1729 14 ALA HN 7.00 (# 1729:15 Single Ambig)
&rst
ixpk= 1729, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 137, 127,
&end
#
# 0 AMB 15-2:1730 14 ALA HN 4.50 (# 1730:15 Single Ambig)
&rst
ixpk= 1730, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 195, 196, 987, 988, 989,
&end
#
# 0 AMB 15-2:1731 14 ALA HN 5.50 (# 1731:15 Single Ambig)
&rst
ixpk= 1731, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 264, 280, 281, 282,
&end
#
# 0 AMB 15-2:1732 14 ALA HN 5.50 (# 1732:15 Single Ambig)
&rst
ixpk= 1732, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 156, 157, 158, 160, 161, 162, 943,
&end
#
# 66 LEU MDX 14 ALA HN 5.50 (# 1733:15 Unique 5.04, 6.79 A)
&rst
ixpk= 1733, nxpk= 15, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 26 PHE HE 18 ALA HN 5.50 (# 1734:15 Unique 4.09, 4.37 A)
&rst
ixpk= 1734, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 390, 394,
&end
#
# 0 AMB 15-2:1736 18 ALA HN 5.50 (# 1736:15 Single Ambig)
&rst
ixpk= 1736, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 352, 192, 193,
&end
#
# 15 LYS HG- 18 ALA HN 5.50 (# 1737:15 Unique 5.68, 5.96 A)
&rst
ixpk= 1737, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 227, 228,
&end
#
# 66 LEU MDX 18 ALA HN 5.50 (# 1738:15 Unique 5.88, 7.26 A)
&rst
ixpk= 1738, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 51 VAL MGX 18 ALA HN 5.50 (# 1739:15 Unique 5.32, 7.17 A)
&rst
ixpk= 1739, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 788, 789, 790, 792, 793, 794,
&end
#
# 0 AMB 15-2:1740 18 ALA HN 4.50 (# 1740:15 Single Ambig)
&rst
ixpk= 1740, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 266, 267, 268, 270, 271, 272, 945, 946, 947, 949,
950, 951,
&end
#
# 99 GLU HN 101 LEU HN 5.50 (# 1741:15 Unique 3.48, 3.77 A)
&rst
ixpk= 1741, nxpk= 15, iat=1492,1526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 LEU HB- 101 LEU HN 5.50 (# 1743:15 Unique 2.56, 3.28 A)
&rst
ixpk= 1743, nxpk= 15, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1511,1512,
&end
#
# 72 ARG HG- 72 ARG HN 5.50 (# 1744:15 Unique 2.65, 4.45 A)
&rst
ixpk= 1744, nxpk= 15, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1091,1092,
&end
#
# 106 ASP HB+ 106 ASP HN 3.50 (# 1745:15 Unique 2.34, 2.50 A)
&rst
ixpk= 1745, nxpk= 15, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1618,1619,
&end
#
# 53 LEU MDX 62 LEU HN 5.50 (# 1746:15 Unique 4.27, 6.17 A)
&rst
ixpk= 1746, nxpk= 15, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 62 LEU HG 62 LEU HN 4.50 (# 1747:15 Unique 3.77, 4.30 A)
&rst
ixpk= 1747, nxpk= 15, iat= 943, 936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 LEU MDX 6 GLU HN 5.50 (# 1748:15 Unique 6.52, 7.53 A)
&rst
ixpk= 1748, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 105, 106, 107, 109, 110, 111,
&end
#
# 24 VAL HN 81 GLY HN 5.50 (# 1749:15 Unique 5.40, 5.49 A)
&rst
ixpk= 1749, nxpk= 15, iat= 348,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ILE HN 81 GLY HN 5.50 (# 1750:15 Unique 4.22, 4.23 A)
&rst
ixpk= 1750, nxpk= 15, iat=1209,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 LYS HN 81 GLY HN 5.50 (# 1751:15 Unique 4.30, 4.36 A)
&rst
ixpk= 1751, nxpk= 15, iat=1242,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 PRO HA 81 GLY HN 4.50 (# 1752:15 Unique 3.15, 3.33 A)
&rst
ixpk= 1752, nxpk= 15, iat= 328,1228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 ILE HB 81 GLY HN 5.50 (# 1753:15 Unique 3.98, 4.09 A)
&rst
ixpk= 1753, nxpk= 15, iat=1213,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ILE HG1+ 81 GLY HN 5.50 (# 1754:15 Unique 4.32, 4.75 A)
&rst
ixpk= 1754, nxpk= 15, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1219,1220,
&end
#
# 38 LYS HB- 38 LYS HN 4.50 (# 1755:15 Unique 2.45, 3.05 A)
&rst
ixpk= 1755, nxpk= 15, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 575, 576,
&end
#
# 35 ASN HB- 36 ARG HN 4.50 (# 1756:15 Unique 2.61, 3.42 A)
&rst
ixpk= 1756, nxpk= 15, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 521, 522,
&end
#
# 92 VAL HA 95 HIS HN 4.50 (# 1757:15 Unique 3.25, 3.41 A)
&rst
ixpk= 1757, nxpk= 15, iat=1369,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 HIS HB- 95 HIS HN 4.50 (# 1758:15 Unique 2.41, 2.55 A)
&rst
ixpk= 1758, nxpk= 15, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1424,1425,
&end
#
# 105 GLN HA 107 ALA HN 5.50 (# 1759:15 Unique 4.25, 4.43 A)
&rst
ixpk= 1759, nxpk= 15, iat=1599,1626, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU HB+ 17 LEU HN 4.50 (# 1760:15 Unique 2.32, 2.97 A)
&rst
ixpk= 1760, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 261, 262,
&end
#
# 24 VAL MGX 17 LEU HN 5.50 (# 1761:15 Unique 5.65, 7.12 A)
&rst
ixpk= 1761, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 354, 355, 356, 358, 359, 360,
&end
#
# 63 GLN QG 63 GLN HN 4.50 (# 1762:15 Unique 3.78, 4.44 A)
&rst
ixpk= 1762, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 962, 963,
&end
#
# 109 ALA HA 109 ALA HN 4.50 (# 1763:15 Unique 2.84, 2.90 A)
&rst
ixpk= 1763, nxpk= 15, iat=1648,1646, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1764 0 AMB 15-1:1764 3.50 (# 1764:15 Double Ambig)
&rst
ixpk= 1764, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 190, 533,
igr2= 188, 555,
&end
#
# 36 ARG HB- 37 VAL HN 4.50 (# 1765:15 Unique 2.56, 3.25 A)
&rst
ixpk= 1765, nxpk= 15, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 535, 536,
&end
#
# 46 ALA MB 104 LEU HN 7.00 (# 1766:15 Unique 6.40, 7.35 A)
&rst
ixpk= 1766, nxpk= 15, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 706, 707, 708,
&end
#
# 56 LEU MDY 58 ASP HN 4.50 (# 1767:15 Unique 1.87, 4.30 A)
&rst
ixpk= 1767, nxpk= 15, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 868, 869, 870, 872, 873, 874,
&end
#
# 70 THR MG2 68 HIS HN 7.00 (# 1769:15 Unique 6.19, 7.31 A)
&rst
ixpk= 1769, nxpk= 15, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1069,1070,1071,
&end
#
# 82 GLY HN 80 ILE HN 5.50 (# 1770:15 Unique 3.79, 3.96 A)
&rst
ixpk= 1770, nxpk= 15, iat=1235,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 CYS HA 88 CYS HN 4.50 (# 1771:15 Unique 2.77, 2.79 A)
&rst
ixpk= 1771, nxpk= 15, iat=1316,1314, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 ARG HA 39 GLN HN 4.50 (# 1772:15 Unique 3.40, 3.49 A)
&rst
ixpk= 1772, nxpk= 15, iat= 533, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 VAL MGY 39 GLN HN 5.50 (# 1773:15 Unique 5.60, 6.59 A)
&rst
ixpk= 1773, nxpk= 15, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 561, 562, 563, 565, 566, 567,
&end
#
# 110 THR HB 47 SER HN 7.00 (# 1774:15 Unique 3.51, 5.56 A)
&rst
ixpk= 1774, nxpk= 15, iat=1660, 712, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 61 GLN HG+ 60 SER HN 5.50 (# 1776:15 Unique 4.38, 5.37 A)
&rst
ixpk= 1776, nxpk= 15, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 926, 927,
&end
#
# 0 AMB 15-2:1777 60 SER HN 5.50 (# 1777:15 Single Ambig)
&rst
ixpk= 1777, nxpk= 15, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 926, 927, 893, 894,
&end
#
# 93 GLU HB+ 94 LYS HN 4.50 (# 1778:15 Unique 2.39, 3.19 A)
&rst
ixpk= 1778, nxpk= 15, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1387,1388,
&end
#
# 0 AMB 15-2:1779 60 SER HN 5.50 (# 1779:15 Single Ambig)
&rst
ixpk= 1779, nxpk= 15, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 868, 869, 870, 872, 873, 874, 943,
&end
#
# 53 LEU MDX 60 SER HN 5.50 (# 1780:15 Unique 5.32, 7.31 A)
&rst
ixpk= 1780, nxpk= 15, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 56 LEU HB+ 60 SER HN 5.50 (# 1781:15 Unique 5.17, 6.24 A)
&rst
ixpk= 1781, nxpk= 15, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 863, 864,
&end
#
# 0 AMB 15-2:1782 60 SER HN 5.50 (# 1782:15 Single Ambig)
&rst
ixpk= 1782, nxpk= 15, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 923, 924, 866,
&end
#
# 92 VAL MGY 94 LYS HN 5.50 (# 1783:15 Unique 5.28, 6.66 A)
&rst
ixpk= 1783, nxpk= 15, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1373,1374,1375,1377,1378,1379,
&end
#
# 87 GLY HA- 90 THR HN 5.50 (# 1784:15 Unique 3.70, 4.35 A)
&rst
ixpk= 1784, nxpk= 15, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1309,1310,
&end
#
# 91 VAL HA 90 THR HN 5.50 (# 1785:15 Unique 5.33, 5.36 A)
&rst
ixpk= 1785, nxpk= 15, iat=1353,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1786 90 THR HN 5.50 (# 1786:15 Single Ambig)
&rst
ixpk= 1786, nxpk= 15, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1318,1319,1094,1095,
&end
#
# 40 LEU MDX 42 THR HN 5.50 (# 1787:15 Unique 5.21, 7.47 A)
&rst
ixpk= 1787, nxpk= 15, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 54 ASP HN 29 THR HN 5.50 (# 1788:15 Unique 3.44, 3.67 A)
&rst
ixpk= 1788, nxpk= 15, iat= 832, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 TYR HE 29 THR HN 5.50 (# 1789:15 Unique 3.83, 5.84 A)
&rst
ixpk= 1789, nxpk= 15, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 457, 462,
&end
#
# 30 TYR HN 29 THR HN 5.50 (# 1790:15 Unique 2.63, 2.89 A)
&rst
ixpk= 1790, nxpk= 15, iat= 447, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 TYR HA 29 THR HN 7.00 (# 1791:15 Unique 5.24, 5.42 A)
&rst
ixpk= 1791, nxpk= 15, iat= 449, 433, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 54 ASP HB+ 29 THR HN 5.50 (# 1792:15 Unique 2.32, 2.96 A)
&rst
ixpk= 1792, nxpk= 15, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 836, 837,
&end
#
# 55 GLU HB+ 29 THR HN 7.00 (# 1793:15 Unique 5.24, 6.44 A)
&rst
ixpk= 1793, nxpk= 15, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 848, 849,
&end
#
# 28 LYS QG 29 THR HN 5.50 (# 1794:15 Unique 3.38, 4.31 A)
&rst
ixpk= 1794, nxpk= 15, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 418, 419,
&end
#
# 75 VAL MGX 29 THR HN 5.50 (# 1795:15 Unique 5.95, 7.63 A)
&rst
ixpk= 1795, nxpk= 15, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1135,1136,1137,1139,1140,1141,
&end
#
# 69 TRP HZ3 15 LYS HN 5.50 (# 1796:15 Unique 3.84, 4.06 A)
&rst
ixpk= 1796, nxpk= 15, iat=1056, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 HIS HB- 97 ARG HN 5.50 (# 1797:15 Unique 5.02, 5.51 A)
&rst
ixpk= 1797, nxpk= 15, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1424,1425,
&end
#
# 98 ASN HB- 97 ARG HN 5.50 (# 1798:15 Unique 5.55, 5.87 A)
&rst
ixpk= 1798, nxpk= 15, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1482,1483,
&end
#
# 63 GLN QG 64 SER HN 4.50 (# 1799:15 Unique 3.34, 4.41 A)
&rst
ixpk= 1799, nxpk= 15, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 962, 963,
&end
#
# 0 AMB 15-2:1801 97 ARG HE 7.00 (# 1801:15 Single Ambig)
&rst
ixpk= 1801, nxpk= 15, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1499,1500,1441,1442,
&end
#
# 94 LYS HB- 98 ASN HN 5.50 (# 1803:15 Unique 5.76, 6.24 A)
&rst
ixpk= 1803, nxpk= 15, iat= -1,1478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1402,1403,
&end
#
# 23 VAL MGY 23 VAL HN 4.50 (# 1804:15 Unique 3.09, 4.35 A)
&rst
ixpk= 1804, nxpk= 15, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 338, 339, 340, 342, 343, 344,
&end
#
# 44 VAL HB 44 VAL HN 4.50 (# 1805:15 Unique 2.37, 3.42 A)
&rst
ixpk= 1805, nxpk= 15, iat= 683, 679, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:1806 0 AMB 15-1:1806 5.50 (# 1806:15 Double Ambig)
&rst
ixpk= 1806, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1129,1022,
igr2= 967, 968, 967, 968,
&end
#
# 0 AMB 15-2:1807 0 AMB 15-1:1807 5.50 (# 1807:15 Double Ambig)
&rst
ixpk= 1807, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 974,1131,1119,
igr2= 967, 968, 967, 968, 967, 968,
&end
#
# 0 AMB 15-2:1808 63 GLN HE2- 5.50 (# 1808:15 Single Ambig)
&rst
ixpk= 1808, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 974,1131,1119,
igr2= 967, 968,
&end
#
# 74 THR MG2 63 GLN HE2+ 5.50 (# 1809:15 Unique 4.64, 6.63 A)
&rst
ixpk= 1809, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1121,1122,1123,
igr2= 967, 968,
&end
#
# 66 LEU HB+ 63 GLN HE2+ 5.50 (# 1810:15 Unique 2.57, 5.13 A)
&rst
ixpk= 1810, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 997, 998,
igr2= 967, 968,
&end
#
# 66 LEU HB+ 63 GLN HE2- 5.50 (# 1811:15 Unique 2.57, 5.13 A)
&rst
ixpk= 1811, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 997, 998,
igr2= 967, 968,
&end
#
# 74 THR MG2 63 GLN HE2- 5.50 (# 1812:15 Unique 4.64, 6.63 A)
&rst
ixpk= 1812, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1121,1122,1123,
igr2= 967, 968,
&end
#
# 108 ALA HA 110 THR HN 5.50 (# 1813:15 Unique 2.94, 3.41 A)
&rst
ixpk= 1813, nxpk= 15, iat=1638,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1814 110 THR HN 5.50 (# 1814:15 Single Ambig)
&rst
ixpk= 1814, nxpk= 15, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1604,1605, 325, 326,
&end
#
# 0 AMB 15-2:1815 110 THR HN 5.50 (# 1815:15 Single Ambig)
&rst
ixpk= 1815, nxpk= 15, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1587,1588,1589,1591,1592,1593,1585,
&end
#
# 84 GLN HB- 84 GLN HE2- 5.50 (# 1816:15 Unique 3.69, 4.72 A)
&rst
ixpk= 1816, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1268,1269,
igr2=1276,1277,
&end
#
# 72 ARG HB+ 74 THR HN 4.50 (# 1817:15 Unique 2.64, 4.64 A)
&rst
ixpk= 1817, nxpk= 15, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1088,1089,
&end
#
# 56 LEU MDY 59 GLY HN 4.50 (# 1818:15 Unique 3.14, 5.30 A)
&rst
ixpk= 1818, nxpk= 15, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 868, 869, 870, 872, 873, 874,
&end
#
# 72 ARG HD- 87 GLY HN 5.50 (# 1819:15 Unique 4.08, 5.07 A)
&rst
ixpk= 1819, nxpk= 15, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1094,1095,
&end
#
# 0 AMB 15-2:1820 19 SER HN 5.50 (# 1820:15 Single Ambig)
&rst
ixpk= 1820, nxpk= 15, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 249, 250, 246, 247,
&end
#
# 79 PHE HA 82 GLY HN 5.50 (# 1822:15 Unique 5.29, 5.48 A)
&rst
ixpk= 1822, nxpk= 15, iat=1191,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 GLY HA+ 82 GLY HN 3.50 (# 1823:15 Unique 2.28, 2.57 A)
&rst
ixpk= 1823, nxpk= 15, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1237,1238,
&end
#
# 0 AMB 15-2:1824 82 GLY HN 5.50 (# 1824:15 Single Ambig)
&rst
ixpk= 1824, nxpk= 15, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 280, 281, 282, 354, 355, 356, 358, 359, 360,
&end
#
# 0 AMB 15-2:1827 0 AMB 15-1:1827 5.50 (# 1827:15 Double Ambig)
&rst
ixpk= 1827, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 995,1065,
igr2=1168,1169,1168,1169,
&end
#
# 0 AMB 15-2:1828 0 AMB 15-1:1828 5.50 (# 1828:15 Double Ambig)
&rst
ixpk= 1828, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1131,1119,
igr2=1168,1169,1168,1169,
&end
#
# 0 AMB 15-2:1829 77 ASN HD2- 5.50 (# 1829:15 Single Ambig)
&rst
ixpk= 1829, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 995,1065,
igr2=1168,1169,
&end
#
# 0 AMB 15-2:1830 77 ASN HD2- 5.50 (# 1830:15 Single Ambig)
&rst
ixpk= 1830, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1131,1119,
igr2=1168,1169,
&end
#
# 66 LEU MDY 77 ASN HD2- 5.50 (# 1831:15 Unique 2.18, 5.24 A)
&rst
ixpk= 1831, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1002,1003,1004,1006,1007,1008,
igr2=1168,1169,
&end
#
# 100 LEU HB- 101 LEU HN 5.50 (# 1834:15 Unique 2.56, 3.28 A)
&rst
ixpk= 1834, nxpk= 15, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1511,1512,
&end
#
# 80 ILE HG1+ 81 GLY HN 5.50 (# 1835:15 Unique 4.32, 4.75 A)
&rst
ixpk= 1835, nxpk= 15, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1219,1220,
&end
#
# 0 AMB 15-2:1836 93 GLU HN 5.50 (# 1836:15 Single Ambig)
&rst
ixpk= 1836, nxpk= 15, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
1362,1363,1516,1517,1518,1520,1521,1522,
&end
#
# 0 AMB 15-2:1837 78 VAL HN 5.50 (# 1837:15 Single Ambig)
&rst
ixpk= 1837, nxpk= 15, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 370, 371, 372, 374, 375, 376,1287,1288,1289,
&end
#
# 0 AMB 15-2:1838 72 ARG HN 5.50 (# 1838:15 Single Ambig)
&rst
ixpk= 1838, nxpk= 15, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1065, 995,
&end
#
# 0 AMB 15-2:1839 0 AMB 15-1:1839 5.50 (# 1839:15 Double Ambig)
&rst
ixpk= 1839, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 519, 117,
igr2= 555, 188,
&end
#
# 0 AMB 15-2:1840 90 THR HN 5.50 (# 1840:15 Single Ambig)
&rst
ixpk= 1840, nxpk= 15, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1387,1388,1371,
&end
#
# 75 VAL MGY 63 GLN HE2+ 5.50 (# 1841:15 Unique 2.78, 5.57 A)
&rst
ixpk= 1841, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1135,1136,1137,1139,1140,1141,
igr2= 967, 968,
&end
#
# 0 AMB 15-2:1842 63 GLN HE2- 5.50 (# 1842:15 Single Ambig)
&rst
ixpk= 1842, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 822, 823, 824, 826, 827, 828,1135,1136,1137,1139,
1140,1141,
igr2= 967, 968,
&end
#
# 95 HIS HA 101 LEU HN 5.50 (# 1843:15 Unique 3.49, 3.74 A)
&rst
ixpk= 1843, nxpk= 15, iat=1422,1526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LYS HG- 38 LYS HN 4.50 (# 1844:15 Unique 2.20, 2.92 A)
&rst
ixpk= 1844, nxpk= 15, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 578, 579,
&end
#
# 3 SER HB+ 4 LYS HN 5.50 (# 1845:15 Unique 2.62, 3.41 A)
&rst
ixpk= 1845, nxpk= 15, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 35, 36,
&end
#
# 4 LYS HB- 4 LYS HN 4.50 (# 1846:15 Unique 2.34, 2.74 A)
&rst
ixpk= 1846, nxpk= 15, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 46, 47,
&end
#
# 4 LYS HA 5 GLN HN 4.50 (# 1847:15 Unique 3.54, 3.59 A)
&rst
ixpk= 1847, nxpk= 15, iat= 44, 64, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 LYS HB+ 5 GLN HN 4.50 (# 1848:15 Unique 2.68, 3.51 A)
&rst
ixpk= 1848, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 46, 47,
&end
#
# 4 LYS HG- 5 GLN HN 5.50 (# 1849:15 Unique 2.69, 4.20 A)
&rst
ixpk= 1849, nxpk= 15, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 49, 50,
&end
#
# 0 AMB 15-2:1850 6 GLU HN 3.50 (# 1850:15 Single Ambig)
&rst
ixpk= 1850, nxpk= 15, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 68, 69, 68, 69,
&end
#
# 0 AMB 15-2:1851 7 LEU HN 3.50 (# 1851:15 Single Ambig)
&rst
ixpk= 1851, nxpk= 15, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 44, 83,
&end
#
# 7 LEU MDY 7 LEU HN 4.50 (# 1852:15 Unique 4.53, 5.14 A)
&rst
ixpk= 1852, nxpk= 15, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 105, 106, 107, 109, 110, 111,
&end
#
# 7 LEU HG 7 LEU HN 4.50 (# 1853:15 Unique 4.47, 4.50 A)
&rst
ixpk= 1853, nxpk= 15, iat= 103, 96, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 LEU MDY 8 ASP HN 5.50 (# 1854:15 Unique 3.28, 5.31 A)
&rst
ixpk= 1854, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 105, 106, 107, 109, 110, 111,
&end
#
# 8 ASP HB+ 11 LEU HN 5.50 (# 1855:15 Unique 5.38, 5.50 A)
&rst
ixpk= 1855, nxpk= 15, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 119, 120,
&end
#
# 10 ALA HA 12 LYS HN 5.50 (# 1856:15 Unique 4.42, 4.51 A)
&rst
ixpk= 1856, nxpk= 15, iat= 139, 166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1857 0 AMB 15-1:1857 4.50 (# 1857:15 Double Ambig)
&rst
ixpk= 1857, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 538, 539, 198, 199, 151, 152,
igr2= 555, 188,
&end
#
# 13 LYS HB+ 13 LYS HN 3.50 (# 1858:15 Unique 2.37, 2.52 A)
&rst
ixpk= 1858, nxpk= 15, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 192, 193,
&end
#
# 16 GLU HB+ 18 ALA HN 5.50 (# 1859:15 Unique 4.96, 5.43 A)
&rst
ixpk= 1859, nxpk= 15, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 246, 247,
&end
#
# 20 SER HB+ 19 SER HN 5.50 (# 1860:15 Unique 4.14, 4.97 A)
&rst
ixpk= 1860, nxpk= 15, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 301, 302,
&end
#
# 17 LEU HB+ 19 SER HN 5.50 (# 1861:15 Unique 4.82, 5.00 A)
&rst
ixpk= 1861, nxpk= 15, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 261, 262,
&end
#
# 0 AMB 15-2:1862 20 SER HN 4.50 (# 1862:15 Single Ambig)
&rst
ixpk= 1862, nxpk= 15, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 290, 291, 259,
&end
#
# 20 SER HB+ 20 SER HN 4.50 (# 1863:15 Unique 2.36, 2.99 A)
&rst
ixpk= 1863, nxpk= 15, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 301, 302,
&end
#
# 22 PRO HB- 23 VAL HN 4.50 (# 1864:15 Unique 3.76, 4.18 A)
&rst
ixpk= 1864, nxpk= 15, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 325, 326,
&end
#
# 25 VAL MGX 27 SER HN 5.50 (# 1865:15 Unique 4.26, 6.82 A)
&rst
ixpk= 1865, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 370, 371, 372, 374, 375, 376,
&end
#
# 52 GLU HA 27 SER HN 5.50 (# 1866:15 Unique 2.80, 3.13 A)
&rst
ixpk= 1866, nxpk= 15, iat= 800, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1867 27 SER HN 5.50 (# 1867:15 Single Ambig)
&rst
ixpk= 1867, nxpk= 15, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 380, 364,
&end
#
# 29 THR HN 28 LYS HN 5.50 (# 1868:15 Unique 4.28, 4.37 A)
&rst
ixpk= 1868, nxpk= 15, iat= 433, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LYS QG 28 LYS HN 5.50 (# 1869:15 Unique 3.07, 3.93 A)
&rst
ixpk= 1869, nxpk= 15, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 418, 419,
&end
#
# 35 ASN HB- 35 ASN HN 4.50 (# 1870:15 Unique 2.13, 2.58 A)
&rst
ixpk= 1870, nxpk= 15, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 521, 522,
&end
#
# 34 CYS HB- 35 ASN HN 5.50 (# 1871:15 Unique 2.43, 3.09 A)
&rst
ixpk= 1871, nxpk= 15, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 510, 511,
&end
#
# 0 AMB 15-2:1872 36 ARG HN 5.50 (# 1872:15 Single Ambig)
&rst
ixpk= 1872, nxpk= 15, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 541, 542, 489, 490,
&end
#
# 0 AMB 15-2:1873 37 VAL HN 5.50 (# 1873:15 Single Ambig)
&rst
ixpk= 1873, nxpk= 15, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1318,1319, 541, 542,
&end
#
# 39 GLN HA 40 LEU HN 5.50 (# 1874:15 Unique 3.59, 3.61 A)
&rst
ixpk= 1874, nxpk= 15, iat= 595, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 LEU MDY 41 LEU HN 4.50 (# 1875:15 Unique 3.19, 5.37 A)
&rst
ixpk= 1875, nxpk= 15, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 42 THR HA 42 THR HN 3.50 (# 1876:15 Unique 2.82, 2.84 A)
&rst
ixpk= 1876, nxpk= 15, iat= 650, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:1877 42 THR HN 5.50 (# 1877:15 Single Ambig)
&rst
ixpk= 1877, nxpk= 15, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 612, 664,
&end
#
# 45 GLY HA+ 44 VAL HN 5.50 (# 1878:15 Unique 4.48, 5.01 A)
&rst
ixpk= 1878, nxpk= 15, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 697, 698,
&end
#
# 45 GLY HA- 44 VAL HN 5.50 (# 1879:15 Unique 4.48, 5.01 A)
&rst
ixpk= 1879, nxpk= 15, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 697, 698,
&end
#
# 42 THR HA 44 VAL HN 5.50 (# 1880:15 Unique 3.96, 4.54 A)
&rst
ixpk= 1880, nxpk= 15, iat= 650, 679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 VAL HN 49 LYS HN 5.50 (# 1881:15 Unique 4.39, 4.45 A)
&rst
ixpk= 1881, nxpk= 15, iat= 766, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLU HG- 55 GLU HN 4.50 (# 1882:15 Unique 2.36, 3.76 A)
&rst
ixpk= 1882, nxpk= 15, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 851, 852,
&end
#
# 56 LEU MDY 55 GLU HN 5.50 (# 1883:15 Unique 4.86, 7.00 A)
&rst
ixpk= 1883, nxpk= 15, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 868, 869, 870, 872, 873, 874,
&end
#
# 0 AMB 15-2:1884 56 LEU HN 4.50 (# 1884:15 Single Ambig)
&rst
ixpk= 1884, nxpk= 15, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 848, 849, 802, 803,
&end
#
# 56 LEU MDY 56 LEU HN 4.50 (# 1885:15 Unique 3.44, 5.16 A)
&rst
ixpk= 1885, nxpk= 15, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 868, 869, 870, 872, 873, 874,
&end
#
# 57 SER HN 58 ASP HN 5.50 (# 1886:15 Unique 2.82, 2.97 A)
&rst
ixpk= 1886, nxpk= 15, iat= 878, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 LEU HG 58 ASP HN 5.50 (# 1887:15 Unique 1.81, 2.28 A)
&rst
ixpk= 1887, nxpk= 15, iat= 866, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1888 62 LEU HN 5.50 (# 1888:15 Single Ambig)
&rst
ixpk= 1888, nxpk= 15, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 910, 976, 977,
&end
#
# 61 GLN HG- 62 LEU HN 4.50 (# 1889:15 Unique 2.33, 4.51 A)
&rst
ixpk= 1889, nxpk= 15, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 926, 927,
&end
#
# 61 GLN HB- 62 LEU HN 4.50 (# 1890:15 Unique 2.57, 3.42 A)
&rst
ixpk= 1890, nxpk= 15, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 923, 924,
&end
#
# 61 GLN HA 63 GLN HN 5.50 (# 1891:15 Unique 4.22, 4.40 A)
&rst
ixpk= 1891, nxpk= 15, iat= 921, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 LEU HG 63 GLN HN 5.50 (# 1892:15 Unique 4.74, 5.05 A)
&rst
ixpk= 1892, nxpk= 15, iat= 943, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 SER HB- 64 SER HN 3.50 (# 1893:15 Unique 2.54, 3.09 A)
&rst
ixpk= 1893, nxpk= 15, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 976, 977,
&end
#
# 61 GLN HA 64 SER HN 4.50 (# 1894:15 Unique 2.87, 3.12 A)
&rst
ixpk= 1894, nxpk= 15, iat= 921, 972, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 LEU MDY 64 SER HN 5.50 (# 1895:15 Unique 5.79, 7.87 A)
&rst
ixpk= 1895, nxpk= 15, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1002,1003,1004,1006,1007,1008,
&end
#
# 65 ALA HA 68 HIS HN 4.50 (# 1896:15 Unique 3.36, 3.49 A)
&rst
ixpk= 1896, nxpk= 15, iat= 985,1022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 HIS HB- 68 HIS HN 3.50 (# 1897:15 Unique 2.06, 2.45 A)
&rst
ixpk= 1897, nxpk= 15, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1026,1027,
&end
#
# 66 LEU HA 0 AMB 15-1:1898 4.50 (# 1898:15 Single Ambig)
&rst
ixpk= 1898, nxpk= 15, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 993,1039,
&end
#
# 70 THR MG2 69 TRP HN 4.50 (# 1899:15 Unique 4.15, 5.33 A)
&rst
ixpk= 1899, nxpk= 15, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1069,1070,1071,
&end
#
# 68 HIS HN 70 THR HN 5.50 (# 1900:15 Unique 4.41, 4.52 A)
&rst
ixpk= 1900, nxpk= 15, iat=1022,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 TRP HD1 70 THR HN 5.50 (# 1901:15 Unique 4.78, 4.94 A)
&rst
ixpk= 1901, nxpk= 15, iat=1047,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 THR HB 70 THR HN 5.50 (# 1902:15 Unique 3.61, 3.67 A)
&rst
ixpk= 1902, nxpk= 15, iat=1067,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 THR HB 71 GLY HN 5.50 (# 1903:15 Unique 4.01, 4.20 A)
&rst
ixpk= 1903, nxpk= 15, iat=1067,1077, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1904 72 ARG HN 5.50 (# 1904:15 Single Ambig)
&rst
ixpk= 1904, nxpk= 15, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1115, 967, 968,
&end
#
# 72 ARG HD+ 72 ARG HN 5.50 (# 1905:15 Unique 4.90, 5.37 A)
&rst
ixpk= 1905, nxpk= 15, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1094,1095,
&end
#
# 72 ARG HD- 72 ARG HN 5.50 (# 1906:15 Unique 4.90, 5.37 A)
&rst
ixpk= 1906, nxpk= 15, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1094,1095,
&end
#
# 0 AMB 15-2:1907 73 GLY HN 5.50 (# 1907:15 Single Ambig)
&rst
ixpk= 1907, nxpk= 15, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1084,1168,1169,
&end
#
# 75 VAL MGY 75 VAL HN 3.50 (# 1908:15 Unique 1.99, 3.47 A)
&rst
ixpk= 1908, nxpk= 15, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1135,1136,1137,1139,1140,1141,
&end
#
# 0 AMB 15-2:1909 81 GLY HN 5.50 (# 1909:15 Single Ambig)
&rst
ixpk= 1909, nxpk= 15, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1587,1588,1589,1591,1592,1593,1222,1223,1224,
&end
#
# 87 GLY HN 86 GLY HN 5.50 (# 1910:15 Unique 3.99, 4.16 A)
&rst
ixpk= 1910, nxpk= 15, iat=1307,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 ASP HN 88 CYS HN 4.50 (# 1911:15 Unique 2.85, 2.93 A)
&rst
ixpk= 1911, nxpk= 15, iat=1325,1314, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 VAL HN 90 THR HN 4.50 (# 1912:15 Unique 2.81, 2.83 A)
&rst
ixpk= 1912, nxpk= 15, iat=1351,1337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 CYS HA 90 THR HN 5.50 (# 1913:15 Unique 4.34, 4.41 A)
&rst
ixpk= 1913, nxpk= 15, iat=1316,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1914 92 VAL HN 4.50 (# 1914:15 Single Ambig)
&rst
ixpk= 1914, nxpk= 15, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1355,1387,1388,
&end
#
# 92 VAL MGX 92 VAL HN 4.50 (# 1915:15 Unique 2.21, 3.81 A)
&rst
ixpk= 1915, nxpk= 15, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1373,1374,1375,1377,1378,1379,
&end
#
# 93 GLU HB- 93 GLU HN 3.50 (# 1916:15 Unique 2.30, 2.48 A)
&rst
ixpk= 1916, nxpk= 15, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1387,1388,
&end
#
# 92 VAL MGY 93 GLU HN 4.50 (# 1917:15 Unique 2.58, 4.57 A)
&rst
ixpk= 1917, nxpk= 15, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1373,1374,1375,1377,1378,1379,
&end
#
# 94 LYS HA 95 HIS HN 5.50 (# 1918:15 Unique 3.58, 3.60 A)
&rst
ixpk= 1918, nxpk= 15, iat=1400,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 GLN HA 95 HIS HN 5.50 (# 1919:15 Unique 5.25, 5.31 A)
&rst
ixpk= 1919, nxpk= 15, iat=1439,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 LEU MDX 95 HIS HN 5.50 (# 1920:15 Unique 3.74, 5.31 A)
&rst
ixpk= 1920, nxpk= 15, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 92 VAL MGX 95 HIS HN 5.50 (# 1921:15 Unique 5.40, 6.12 A)
&rst
ixpk= 1921, nxpk= 15, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1373,1374,1375,1377,1378,1379,
&end
#
# 92 VAL HA 96 GLN HN 5.50 (# 1922:15 Unique 3.82, 4.03 A)
&rst
ixpk= 1922, nxpk= 15, iat=1369,1437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 HIS HA 99 GLU HN 5.50 (# 1923:15 Unique 3.33, 3.59 A)
&rst
ixpk= 1923, nxpk= 15, iat=1422,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1924 100 LEU HN 5.50 (# 1924:15 Single Ambig)
&rst
ixpk= 1924, nxpk= 15, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1528,1561,
&end
#
# 0 AMB 15-2:1925 100 LEU HN 5.50 (# 1925:15 Single Ambig)
&rst
ixpk= 1925, nxpk= 15, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1496,1497,1458,1459,
&end
#
# 0 AMB 15-2:1926 101 LEU HN 5.50 (# 1926:15 Single Ambig)
&rst
ixpk= 1926, nxpk= 15, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 685, 686, 687, 689, 690, 691,1516,1517,1518,1520,
1521,1522,1516,1517,1518,1520,1521,1522,
&end
#
# 101 LEU MDY 101 LEU HN 5.50 (# 1927:15 Unique 2.62, 4.97 A)
&rst
ixpk= 1927, nxpk= 15, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1535,1536,1537,1539,1540,1541,
&end
#
# 0 AMB 15-2:1928 101 LEU HN 5.50 (# 1928:15 Single Ambig)
&rst
ixpk= 1928, nxpk= 15, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1549,1550,1563,1564,1582,1583,1496,1497,
&end
#
# 0 AMB 15-2:1929 105 GLN HN 5.50 (# 1929:15 Single Ambig)
&rst
ixpk= 1929, nxpk= 15, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1618,1619,1706,1707,
&end
#
# 0 AMB 15-2:1930 105 GLN HN 5.50 (# 1930:15 Single Ambig)
&rst
ixpk= 1930, nxpk= 15, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1650,1651,1652,1563,1564,1630,1631,1632,
&end
#
# 0 AMB 15-2:1931 108 ALA HN 4.50 (# 1931:15 Single Ambig)
&rst
ixpk= 1931, nxpk= 15, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1628,1742,1672,
&end
#
# 105 GLN HB- 108 ALA HN 5.50 (# 1932:15 Unique 4.70, 5.13 A)
&rst
ixpk= 1932, nxpk= 15, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1601,1602,
&end
#
# 108 ALA HN 110 THR HN 5.50 (# 1935:15 Unique 3.94, 4.32 A)
&rst
ixpk= 1935, nxpk= 15, iat=1636,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1936 110 THR HN 3.50 (# 1936:15 Single Ambig)
&rst
ixpk= 1936, nxpk= 15, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1660,1672,
&end
#
# 0 AMB 15-2:1937 113 ASN HN 5.50 (# 1937:15 Single Ambig)
&rst
ixpk= 1937, nxpk= 15, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1711,1712,1656,
&end
#
# 114 PRO HD- 115 ALA HN 5.50 (# 1938:15 Unique 2.56, 3.69 A)
&rst
ixpk= 1938, nxpk= 15, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1717,1718,
&end
#
# 0 AMB 15-2:1939 115 ALA HN 5.50 (# 1939:15 Single Ambig)
&rst
ixpk= 1939, nxpk= 15, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1720,1721,1601,1602,
&end
#
# 72 ARG HD+ 72 ARG HE 5.50 (# 1940:15 Unique 2.29, 2.69 A)
&rst
ixpk= 1940, nxpk= 15, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1094,1095,
&end
#
# 0 AMB 15-2:1941 72 ARG HE 5.50 (# 1941:15 Single Ambig)
&rst
ixpk= 1941, nxpk= 15, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1088,1089,1091,1092,
&end
#
# 27 SER HN 28 LYS HN 5.50 (# 1942:15 Unique 4.33, 4.36 A)
&rst
ixpk= 1942, nxpk= 15, iat= 400, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
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