NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
17022 |
2b5y   |
6603 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 94 ILE HA 95 PHE HN 3.00 (# 0:10 Unique 2.18, 2.24 A)
&rst
ixpk= 0, nxpk= 10, iat=1493,1510, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 94 ILE QG2 95 PHE HN 4.00 (# 1:10 Unique 1.90, 3.42 A)
&rst
ixpk= 1, nxpk= 10, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1497,1498,1499,
&end
#
# 95 PHE HA 96 VAL HN 3.00 (# 2:10 Unique 2.19, 2.25 A)
&rst
ixpk= 2, nxpk= 10, iat=1512,1530, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 96 VAL HB 96 VAL HN 4.00 (# 3:10 Unique 2.47, 2.97 A)
&rst
ixpk= 3, nxpk= 10, iat=1534,1530, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 37 TRP HN 69 MET HN 5.00 (# 4:10 Unique 3.55, 3.91 A)
&rst
ixpk= 4, nxpk= 10, iat= 600,1114, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 MET HA 69 MET HN 4.00 (# 5:10 Unique 2.87, 2.90 A)
&rst
ixpk= 5, nxpk= 10, iat=1116,1114, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 SER HA 69 MET HN 4.00 (# 6:10 Unique 2.84, 3.19 A)
&rst
ixpk= 6, nxpk= 10, iat= 626,1114, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 68 HIS HA 69 MET HN 3.00 (# 7:10 Unique 2.19, 2.20 A)
&rst
ixpk= 7, nxpk= 10, iat=1099,1114, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:8 69 MET HN 4.00 (# 8:10 Single Ambig)
&rst
ixpk= 8, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1121,1122,1101,1102,
&end
#
# 68 HIS HB+ 69 MET HN 5.00 (# 9:10 Unique 3.53, 4.19 A)
&rst
ixpk= 9, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1101,1102,
&end
#
# 69 MET HB+ 69 MET HN 3.00 (# 10:10 Unique 2.08, 2.70 A)
&rst
ixpk= 10, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1118,1119,
&end
#
# 32 THR HA 33 LEU HN 3.00 (# 11:10 Unique 2.16, 2.25 A)
&rst
ixpk= 11, nxpk= 10, iat= 513, 525, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 33 LEU HB+ 33 LEU HN 4.00 (# 12:10 Unique 2.41, 2.87 A)
&rst
ixpk= 12, nxpk= 10, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 529, 530,
&end
#
# 33 LEU HB- 33 LEU HN 4.00 (# 13:10 Unique 2.41, 2.87 A)
&rst
ixpk= 13, nxpk= 10, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 529, 530,
&end
#
# 32 THR MG2 33 LEU HN 3.00 (# 14:10 Unique 2.08, 3.26 A)
&rst
ixpk= 14, nxpk= 10, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 517, 518, 519,
&end
#
# 33 LEU HA 33 LEU HN 5.00 (# 15:10 Unique 2.91, 2.93 A)
&rst
ixpk= 15, nxpk= 10, iat= 527, 525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 VAL HA 33 LEU HN 5.00 (# 16:10 Unique 3.04, 3.27 A)
&rst
ixpk= 16, nxpk= 10, iat=1041, 525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:17 33 LEU HN 5.00 (# 17:10 Single Ambig)
&rst
ixpk= 17, nxpk= 10, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 534, 535, 536, 538, 539, 540,1010,1011,
&end
#
# 64 VAL MGX 33 LEU HN 5.00 (# 18:10 Unique 4.35, 5.85 A)
&rst
ixpk= 18, nxpk= 10, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1045,1046,1047,1049,1050,1051,
&end
#
# 62 LEU MDX 33 LEU HN 4.00 (# 19:10 Unique 1.95, 4.20 A)
&rst
ixpk= 19, nxpk= 10, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1015,1016,1017,1019,1020,1021,
&end
#
# 16 TRP HD1 16 TRP HE1 3.00 (# 22:10 Unique 2.64, 2.64 A)
&rst
ixpk= 22, nxpk= 10, iat= 258, 260, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 32 THR HN 117 PHE HN 5.00 (# 25:10 Unique 2.65, 3.07 A)
&rst
ixpk= 25, nxpk= 10, iat= 511,1846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 LEU HA 117 PHE HN 6.00 (# 26:10 Unique 3.06, 3.31 A)
&rst
ixpk= 26, nxpk= 10, iat= 527,1846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 VAL HA 117 PHE HN 3.00 (# 27:10 Unique 2.18, 2.21 A)
&rst
ixpk= 27, nxpk= 10, iat=1832,1846, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 117 PHE HB- 117 PHE HN 4.00 (# 28:10 Unique 2.24, 3.12 A)
&rst
ixpk= 28, nxpk= 10, iat= -1,1846, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1850,1851,
&end
#
# 117 PHE HB+ 117 PHE HN 5.00 (# 29:10 Unique 2.24, 3.12 A)
&rst
ixpk= 29, nxpk= 10, iat= -1,1846, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1850,1851,
&end
#
# 116 VAL MGY 117 PHE HN 3.00 (# 30:10 Unique 2.34, 4.31 A)
&rst
ixpk= 30, nxpk= 10, iat= -1,1846, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1836,1837,1838,1840,1841,1842,
&end
#
# 117 PHE HD 117 PHE HN 3.00 (# 31:10 Unique 1.94, 3.67 A)
&rst
ixpk= 31, nxpk= 10, iat= -1,1846, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1854,1862,
&end
#
# 117 PHE HA 117 PHE HN 5.00 (# 32:10 Unique 2.92, 2.93 A)
&rst
ixpk= 32, nxpk= 10, iat=1848,1846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 VAL HB 66 ALA HN 5.00 (# 33:10 Unique 2.82, 3.20 A)
&rst
ixpk= 33, nxpk= 10, iat=1059,1071, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 ILE HA 66 ALA HN 5.00 (# 34:10 Unique 2.26, 2.52 A)
&rst
ixpk= 34, nxpk= 10, iat=1493,1071, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:35 66 ALA HN 3.00 (# 35:10 Single Ambig)
&rst
ixpk= 35, nxpk= 10, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1057,1073,
&end
#
# 66 ALA MB 66 ALA HN 3.00 (# 36:10 Unique 2.22, 3.13 A)
&rst
ixpk= 36, nxpk= 10, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1075,1076,1077,
&end
#
# 65 VAL MGY 66 ALA HN 4.00 (# 37:10 Unique 2.05, 4.67 A)
&rst
ixpk= 37, nxpk= 10, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1061,1062,1063,1065,1066,1067,
&end
#
# 147 THR HA 148 GLU HN 3.00 (# 44:10 Unique 2.33, 2.37 A)
&rst
ixpk= 44, nxpk= 10, iat=2329,2341, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 PRO HD+ 148 GLU HN 6.00 (# 45:10 Unique 5.23, 7.19 A)
&rst
ixpk= 45, nxpk= 10, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 498, 499,
&end
#
# 148 GLU HA 148 GLU HN 3.00 (# 46:10 Unique 2.17, 2.34 A)
&rst
ixpk= 46, nxpk= 10, iat=2343,2341, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 148 GLU HB- 148 GLU HN 3.00 (# 48:10 Unique 3.18, 3.61 A)
&rst
ixpk= 48, nxpk= 10, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2345,2346,
&end
#
# 148 GLU HB+ 148 GLU HN 3.00 (# 49:10 Unique 3.18, 3.61 A)
&rst
ixpk= 49, nxpk= 10, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2345,2346,
&end
#
# 147 THR MG2 148 GLU HN 3.00 (# 50:10 Unique 2.07, 4.23 A)
&rst
ixpk= 50, nxpk= 10, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2333,2334,2335,
&end
#
# 0 AMB 10-2:53 34 ILE HN 3.00 (# 53:10 Single Ambig)
&rst
ixpk= 53, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 527, 546,
&end
#
# 0 AMB 10-2:54 34 ILE HN 5.00 (# 54:10 Single Ambig)
&rst
ixpk= 54, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1832,1811,
&end
#
# 34 ILE HB 34 ILE HN 4.00 (# 55:10 Unique 2.49, 2.80 A)
&rst
ixpk= 55, nxpk= 10, iat= 548, 544, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 LEU HG 34 ILE HN 5.00 (# 56:10 Unique 2.93, 4.17 A)
&rst
ixpk= 56, nxpk= 10, iat= 532, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 LEU MDY 34 ILE HN 3.00 (# 57:10 Unique 1.93, 4.37 A)
&rst
ixpk= 57, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 534, 535, 536, 538, 539, 540,
&end
#
# 33 LEU MDX 34 ILE HN 5.00 (# 58:10 Unique 1.93, 4.37 A)
&rst
ixpk= 58, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 534, 535, 536, 538, 539, 540,
&end
#
# 34 ILE QD1 34 ILE HN 4.00 (# 59:10 Unique 2.47, 4.27 A)
&rst
ixpk= 59, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 557, 558, 559,
&end
#
# 0 AMB 10-2:60 34 ILE HN 5.00 (# 60:10 Single Ambig)
&rst
ixpk= 60, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 550, 551, 552,1947,1948,1949,1951,1952,1953,
&end
#
# 34 ILE HG1+ 34 ILE HN 5.00 (# 61:10 Unique 1.93, 2.95 A)
&rst
ixpk= 61, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 554, 555,
&end
#
# 18 ASN HD2+ 92 GLN HN 6.00 (# 79:10 Unique 3.52, 4.41 A)
&rst
ixpk= 79, nxpk= 10, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 302, 303,
&end
#
# 91 THR HN 92 GLN HN 3.00 (# 80:10 Unique 1.87, 2.09 A)
&rst
ixpk= 80, nxpk= 10, iat=1446,1460, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 92 GLN HA 92 GLN HN 4.00 (# 81:10 Unique 2.63, 2.69 A)
&rst
ixpk= 81, nxpk= 10, iat=1462,1460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 91 THR HA 92 GLN HN 4.00 (# 82:10 Unique 3.55, 3.62 A)
&rst
ixpk= 82, nxpk= 10, iat=1448,1460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:83 92 GLN HN 4.00 (# 83:10 Single Ambig)
&rst
ixpk= 83, nxpk= 10, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1478,1479,1478,1479,
&end
#
# 0 AMB 10-2:84 92 GLN HN 4.00 (# 84:10 Single Ambig)
&rst
ixpk= 84, nxpk= 10, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1429, 883,
&end
#
# 0 AMB 10-2:85 92 GLN HN 5.00 (# 85:10 Single Ambig)
&rst
ixpk= 85, nxpk= 10, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1464,1465, 885, 886,
&end
#
# 92 GLN HG- 92 GLN HN 5.00 (# 86:10 Unique 1.59, 2.92 A)
&rst
ixpk= 86, nxpk= 10, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1467,1468,
&end
#
# 92 GLN HG+ 92 GLN HN 4.00 (# 87:10 Unique 1.59, 2.92 A)
&rst
ixpk= 87, nxpk= 10, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1467,1468,
&end
#
# 92 GLN HB- 92 GLN HN 4.00 (# 88:10 Unique 2.09, 3.00 A)
&rst
ixpk= 88, nxpk= 10, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1464,1465,
&end
#
# 0 AMB 10-2:89 92 GLN HN 5.00 (# 89:10 Single Ambig)
&rst
ixpk= 89, nxpk= 10, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1452,1453,1454,1045,1046,1047,1049,1050,1051,
&end
#
# 90 ILE QG2 92 GLN HN 4.00 (# 90:10 Unique 3.63, 5.73 A)
&rst
ixpk= 90, nxpk= 10, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1433,1434,1435,
&end
#
# 126 PHE HA 126 PHE HN 4.00 (# 92:10 Unique 2.78, 2.88 A)
&rst
ixpk= 92, nxpk= 10, iat=2000,1998, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 125 HIS HB- 126 PHE HN 5.00 (# 94:10 Unique 2.42, 3.77 A)
&rst
ixpk= 94, nxpk= 10, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1985,1986,
&end
#
# 126 PHE HB- 126 PHE HN 4.00 (# 95:10 Unique 2.43, 3.27 A)
&rst
ixpk= 95, nxpk= 10, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2002,2003,
&end
#
# 126 PHE HB+ 126 PHE HN 4.00 (# 96:10 Unique 2.43, 3.27 A)
&rst
ixpk= 96, nxpk= 10, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2002,2003,
&end
#
# 3 LEU MDY 126 PHE HN 4.00 (# 97:10 Unique 2.30, 5.17 A)
&rst
ixpk= 97, nxpk= 10, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 64 VAL HA 65 VAL HN 3.00 (# 98:10 Unique 2.18, 2.19 A)
&rst
ixpk= 98, nxpk= 10, iat=1041,1055, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 65 VAL HA 65 VAL HN 5.00 (# 99:10 Unique 2.89, 2.92 A)
&rst
ixpk= 99, nxpk= 10, iat=1057,1055, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 ILE HA 65 VAL HN 4.00 (# 100:10 Unique 2.80, 3.07 A)
&rst
ixpk= 100, nxpk= 10, iat= 546,1055, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:101 65 VAL HN 4.00 (# 101:10 Single Ambig)
&rst
ixpk= 101, nxpk= 10, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1059, 554, 555,
&end
#
# 0 AMB 10-2:102 65 VAL HN 3.00 (# 102:10 Single Ambig)
&rst
ixpk= 102, nxpk= 10, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1045,1046,1047,1049,1050,1051, 554, 555,
&end
#
# 64 VAL MGX 65 VAL HN 4.00 (# 103:10 Unique 2.63, 4.52 A)
&rst
ixpk= 103, nxpk= 10, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1045,1046,1047,1049,1050,1051,
&end
#
# 0 AMB 10-2:104 65 VAL HN 3.00 (# 104:10 Single Ambig)
&rst
ixpk= 104, nxpk= 10, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1061,1062,1063,1065,1066,1067, 534, 535, 536, 538,
539, 540,
&end
#
# 117 PHE HA 124 ARG HN 4.00 (# 105:10 Unique 2.10, 2.45 A)
&rst
ixpk= 105, nxpk= 10, iat=1848,1957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 125 HIS HN 124 ARG HN 4.00 (# 107:10 Unique 1.96, 2.34 A)
&rst
ixpk= 107, nxpk= 10, iat=1981,1957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 123 LEU HA 124 ARG HN 4.00 (# 108:10 Unique 2.18, 2.19 A)
&rst
ixpk= 108, nxpk= 10, iat=1940,1957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 124 ARG HB+ 124 ARG HN 5.00 (# 109:10 Unique 2.06, 2.84 A)
&rst
ixpk= 109, nxpk= 10, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1961,1962,
&end
#
# 123 LEU MDY 124 ARG HN 4.00 (# 110:10 Unique 2.06, 4.76 A)
&rst
ixpk= 110, nxpk= 10, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1947,1948,1949,1951,1952,1953,
&end
#
# 101 ALA HN 102 LEU HN 5.00 (# 115:10 Unique 2.68, 2.80 A)
&rst
ixpk= 115, nxpk= 10, iat=1598,1608, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:116 102 LEU HN 4.00 (# 116:10 Single Ambig)
&rst
ixpk= 116, nxpk= 10, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1610,1583,
&end
#
# 101 ALA MB 102 LEU HN 4.00 (# 117:10 Unique 2.81, 3.71 A)
&rst
ixpk= 117, nxpk= 10, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1602,1603,1604,
&end
#
# 102 LEU HB- 102 LEU HN 4.00 (# 118:10 Unique 1.98, 2.81 A)
&rst
ixpk= 118, nxpk= 10, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1612,1613,
&end
#
# 102 LEU HB+ 102 LEU HN 4.00 (# 119:10 Unique 1.98, 2.81 A)
&rst
ixpk= 119, nxpk= 10, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1612,1613,
&end
#
# 103 THR HN 102 LEU HN 4.00 (# 120:10 Unique 2.54, 2.69 A)
&rst
ixpk= 120, nxpk= 10, iat=1627,1608, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 ASN HA 109 GLU HN 4.00 (# 123:10 Unique 2.25, 2.54 A)
&rst
ixpk= 123, nxpk= 10, iat=1700,1712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:126 39 ILE HN 3.00 (# 126:10 Single Ambig)
&rst
ixpk= 126, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 626, 637,
&end
#
# 39 ILE HG1+ 39 ILE HN 4.00 (# 127:10 Unique 2.37, 3.09 A)
&rst
ixpk= 127, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 645, 646,
&end
#
# 39 ILE HG1- 39 ILE HN 4.00 (# 128:10 Unique 2.37, 3.09 A)
&rst
ixpk= 128, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 645, 646,
&end
#
# 39 ILE QG2 39 ILE HN 4.00 (# 129:10 Unique 1.94, 2.70 A)
&rst
ixpk= 129, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 641, 642, 643,
&end
#
# 0 AMB 10-2:130 39 ILE HN 5.00 (# 130:10 Single Ambig)
&rst
ixpk= 130, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 648, 649, 650,1754,1755,1756,1758,1759,1760,
&end
#
# 67 VAL MGY 68 HIS HN 6.00 (# 131:10 Unique 1.91, 4.31 A)
&rst
ixpk= 131, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1087,1088,1089,1091,1092,1093,
&end
#
# 67 VAL HA 68 HIS HN 3.00 (# 132:10 Unique 2.18, 2.24 A)
&rst
ixpk= 132, nxpk= 10, iat=1083,1097, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 106 PHE HN 105 ALA HN 3.00 (# 134:10 Unique 2.08, 2.26 A)
&rst
ixpk= 134, nxpk= 10, iat=1663,1653, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 104 ASP HN 105 ALA HN 3.00 (# 135:10 Unique 2.31, 2.58 A)
&rst
ixpk= 135, nxpk= 10, iat=1641,1653, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 106 PHE HD 105 ALA HN 5.00 (# 136:10 Unique 2.87, 5.61 A)
&rst
ixpk= 136, nxpk= 10, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1671,1679,
&end
#
# 104 ASP HA 105 ALA HN 4.00 (# 137:10 Unique 3.40, 3.43 A)
&rst
ixpk= 137, nxpk= 10, iat=1643,1653, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 102 LEU HA 105 ALA HN 4.00 (# 138:10 Unique 3.12, 3.38 A)
&rst
ixpk= 138, nxpk= 10, iat=1610,1653, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 105 ALA HA 105 ALA HN 3.00 (# 139:10 Unique 2.92, 2.93 A)
&rst
ixpk= 139, nxpk= 10, iat=1655,1653, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:140 105 ALA HN 3.00 (# 140:10 Single Ambig)
&rst
ixpk= 140, nxpk= 10, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1645,1646,1667,1668,
&end
#
# 0 AMB 10-2:141 105 ALA HN 3.00 (# 141:10 Single Ambig)
&rst
ixpk= 141, nxpk= 10, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1645,1646,1667,1668,
&end
#
# 105 ALA MB 105 ALA HN 3.00 (# 142:10 Unique 2.17, 2.99 A)
&rst
ixpk= 142, nxpk= 10, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1657,1658,1659,
&end
#
# 102 LEU MDX 105 ALA HN 6.00 (# 144:10 Unique 4.92, 6.75 A)
&rst
ixpk= 144, nxpk= 10, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1617,1618,1619,1621,1622,1623,
&end
#
# 9 GLU HA 10 LEU HN 3.00 (# 147:10 Unique 2.22, 2.40 A)
&rst
ixpk= 147, nxpk= 10, iat= 150, 163, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 9 GLU HB- 10 LEU HN 5.00 (# 148:10 Unique 3.83, 4.42 A)
&rst
ixpk= 148, nxpk= 10, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 152, 153,
&end
#
# 9 GLU HB+ 10 LEU HN 4.00 (# 149:10 Unique 3.83, 4.42 A)
&rst
ixpk= 149, nxpk= 10, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 152, 153,
&end
#
# 10 LEU HG 10 LEU HN 4.00 (# 150:10 Unique 2.15, 3.59 A)
&rst
ixpk= 150, nxpk= 10, iat= 170, 163, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 LEU HB- 10 LEU HN 5.00 (# 151:10 Unique 2.12, 2.91 A)
&rst
ixpk= 151, nxpk= 10, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 167, 168,
&end
#
# 34 ILE HA 35 HIS HN 3.00 (# 154:10 Unique 2.18, 2.20 A)
&rst
ixpk= 154, nxpk= 10, iat= 546, 563, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 34 ILE QG2 35 HIS HN 4.00 (# 155:10 Unique 2.22, 3.67 A)
&rst
ixpk= 155, nxpk= 10, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 550, 551, 552,
&end
#
# 35 HIS HD2 35 HIS HN 3.00 (# 156:10 Unique 1.74, 2.20 A)
&rst
ixpk= 156, nxpk= 10, iat= 576, 563, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 66 ALA HA 35 HIS HN 4.00 (# 157:10 Unique 2.13, 2.43 A)
&rst
ixpk= 157, nxpk= 10, iat=1073, 563, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:160 35 HIS HN 4.00 (# 160:10 Single Ambig)
&rst
ixpk= 160, nxpk= 10, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 554, 555,1045,1046,1047,1049,1050,1051,2140,
&end
#
# 6 PRO HA 123 LEU HN 4.00 (# 161:10 Unique 2.60, 3.05 A)
&rst
ixpk= 161, nxpk= 10, iat= 113,1938, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 122 GLN HA 123 LEU HN 3.00 (# 162:10 Unique 2.20, 2.25 A)
&rst
ixpk= 162, nxpk= 10, iat=1923,1938, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 123 LEU HA 123 LEU HN 3.00 (# 163:10 Unique 2.79, 2.83 A)
&rst
ixpk= 163, nxpk= 10, iat=1940,1938, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:164 123 LEU HN 3.00 (# 164:10 Single Ambig)
&rst
ixpk= 164, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1925,1926,1928,1929,
&end
#
# 117 PHE HD 123 LEU HN 5.00 (# 165:10 Unique 2.55, 4.96 A)
&rst
ixpk= 165, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1854,1862,
&end
#
# 123 LEU HB- 123 LEU HN 3.00 (# 166:10 Unique 2.31, 2.46 A)
&rst
ixpk= 166, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1942,1943,
&end
#
# 122 GLN HB+ 123 LEU HN 4.00 (# 167:10 Unique 2.95, 3.85 A)
&rst
ixpk= 167, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1925,1926,
&end
#
# 123 LEU HB+ 123 LEU HN 3.00 (# 168:10 Unique 2.31, 2.46 A)
&rst
ixpk= 168, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1942,1943,
&end
#
# 0 AMB 10-2:169 123 LEU HN 5.00 (# 169:10 Single Ambig)
&rst
ixpk= 169, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1945, 124, 125,
&end
#
# 0 AMB 10-2:170 123 LEU HN 5.00 (# 170:10 Single Ambig)
&rst
ixpk= 170, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1947,1948,1949,1951,1952,1953, 52, 53, 54, 56,
57, 58,
&end
#
# 123 LEU MDY 123 LEU HN 6.00 (# 171:10 Unique 4.21, 5.10 A)
&rst
ixpk= 171, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1947,1948,1949,1951,1952,1953,
&end
#
# 113 ALA HN 36 PHE HN 5.00 (# 172:10 Unique 2.21, 2.57 A)
&rst
ixpk= 172, nxpk= 10, iat=1778, 580, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 HIS HA 36 PHE HN 3.00 (# 173:10 Unique 2.20, 2.23 A)
&rst
ixpk= 173, nxpk= 10, iat= 565, 580, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 36 PHE HB+ 36 PHE HN 4.00 (# 174:10 Unique 1.96, 2.61 A)
&rst
ixpk= 174, nxpk= 10, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 584, 585,
&end
#
# 35 HIS HB+ 36 PHE HN 5.00 (# 175:10 Unique 3.12, 3.63 A)
&rst
ixpk= 175, nxpk= 10, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 567, 568,
&end
#
# 36 PHE HB- 36 PHE HN 4.00 (# 176:10 Unique 1.96, 2.61 A)
&rst
ixpk= 176, nxpk= 10, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 584, 585,
&end
#
# 36 PHE HD 36 PHE HN 3.00 (# 177:10 Unique 1.98, 4.12 A)
&rst
ixpk= 177, nxpk= 10, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 588, 596,
&end
#
# 33 LEU HN 63 ASN HN 6.00 (# 178:10 Unique 3.18, 3.85 A)
&rst
ixpk= 178, nxpk= 10, iat= 525,1025, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:179 63 ASN HN 4.00 (# 179:10 Single Ambig)
&rst
ixpk= 179, nxpk= 10, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1010,1011, 479, 480, 501, 502,
&end
#
# 62 LEU MDY 63 ASN HN 5.00 (# 180:10 Unique 1.96, 4.03 A)
&rst
ixpk= 180, nxpk= 10, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1015,1016,1017,1019,1020,1021,
&end
#
# 32 THR HA 63 ASN HN 3.00 (# 181:10 Unique 2.24, 2.62 A)
&rst
ixpk= 181, nxpk= 10, iat= 513,1025, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 63 ASN HA 63 ASN HN 4.00 (# 182:10 Unique 2.75, 2.82 A)
&rst
ixpk= 182, nxpk= 10, iat=1027,1025, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 62 LEU HA 63 ASN HN 3.00 (# 183:10 Unique 2.18, 2.25 A)
&rst
ixpk= 183, nxpk= 10, iat=1008,1025, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 63 ASN HB- 63 ASN HN 4.00 (# 184:10 Unique 2.34, 3.06 A)
&rst
ixpk= 184, nxpk= 10, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1029,1030,
&end
#
# 63 ASN HB+ 63 ASN HN 4.00 (# 185:10 Unique 2.34, 3.06 A)
&rst
ixpk= 185, nxpk= 10, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1029,1030,
&end
#
# 62 LEU HG 63 ASN HN 5.00 (# 186:10 Unique 1.98, 3.84 A)
&rst
ixpk= 186, nxpk= 10, iat=1013,1025, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LEU MDX 63 ASN HN 3.00 (# 187:10 Unique 1.96, 4.03 A)
&rst
ixpk= 187, nxpk= 10, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1015,1016,1017,1019,1020,1021,
&end
#
# 0 AMB 10-2:188 85 ALA HN 5.00 (# 188:10 Single Ambig)
&rst
ixpk= 188, nxpk= 10, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1322,1323,1281,1282,1431,
&end
#
# 84 THR HN 85 ALA HN 3.00 (# 189:10 Unique 2.57, 2.79 A)
&rst
ixpk= 189, nxpk= 10, iat=1349,1363, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 86 ALA HN 85 ALA HN 3.00 (# 190:10 Unique 2.31, 2.58 A)
&rst
ixpk= 190, nxpk= 10, iat=1373,1363, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 84 THR HB 85 ALA HN 3.00 (# 193:10 Unique 2.48, 2.81 A)
&rst
ixpk= 193, nxpk= 10, iat=1353,1363, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 84 THR HA 85 ALA HN 4.00 (# 194:10 Unique 3.56, 3.61 A)
&rst
ixpk= 194, nxpk= 10, iat=1351,1363, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:195 85 ALA HN 3.00 (# 195:10 Single Ambig)
&rst
ixpk= 195, nxpk= 10, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1365,1314,
&end
#
# 85 ALA MB 85 ALA HN 3.00 (# 196:10 Unique 1.98, 2.81 A)
&rst
ixpk= 196, nxpk= 10, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1367,1368,1369,
&end
#
# 64 VAL HA 64 VAL HN 4.00 (# 201:10 Unique 2.87, 2.92 A)
&rst
ixpk= 201, nxpk= 10, iat=1041,1039, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 63 ASN HA 64 VAL HN 3.00 (# 202:10 Unique 2.25, 2.28 A)
&rst
ixpk= 202, nxpk= 10, iat=1027,1039, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 63 ASN HB- 64 VAL HN 5.00 (# 203:10 Unique 3.06, 3.90 A)
&rst
ixpk= 203, nxpk= 10, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1029,1030,
&end
#
# 0 AMB 10-2:204 64 VAL HN 4.00 (# 204:10 Single Ambig)
&rst
ixpk= 204, nxpk= 10, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1029,1030, 967, 968,
&end
#
# 64 VAL HB 64 VAL HN 3.00 (# 205:10 Unique 2.27, 2.54 A)
&rst
ixpk= 205, nxpk= 10, iat=1043,1039, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 64 VAL MGY 64 VAL HN 4.00 (# 206:10 Unique 2.05, 3.91 A)
&rst
ixpk= 206, nxpk= 10, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1045,1046,1047,1049,1050,1051,
&end
#
# 64 VAL MGX 64 VAL HN 3.00 (# 207:10 Unique 2.05, 3.91 A)
&rst
ixpk= 207, nxpk= 10, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1045,1046,1047,1049,1050,1051,
&end
#
# 0 AMB 10-2:208 64 VAL HN 6.00 (# 208:10 Single Ambig)
&rst
ixpk= 208, nxpk= 10, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1061,1062,1063,1065,1066,1067, 534, 535, 536, 538,
539, 540,
&end
#
# 0 AMB 10-2:209 64 VAL HN 5.00 (# 209:10 Single Ambig)
&rst
ixpk= 209, nxpk= 10, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1015,1016,1017,1019,1020,1021, 424, 425, 426, 428,
429, 430,
&end
#
# 127 GLN HA 128 ALA HN 3.00 (# 211:10 Unique 2.23, 2.41 A)
&rst
ixpk= 211, nxpk= 10, iat=2020,2035, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 127 GLN HB+ 128 ALA HN 3.00 (# 213:10 Unique 2.44, 3.67 A)
&rst
ixpk= 213, nxpk= 10, iat= -1,2035, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2022,2023,
&end
#
# 127 GLN HB- 128 ALA HN 4.00 (# 214:10 Unique 2.44, 3.67 A)
&rst
ixpk= 214, nxpk= 10, iat= -1,2035, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2022,2023,
&end
#
# 128 ALA MB 128 ALA HN 3.00 (# 215:10 Unique 2.28, 3.24 A)
&rst
ixpk= 215, nxpk= 10, iat= -1,2035, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2039,2040,2041,
&end
#
# 79 GLY HN 80 LYS HN 3.00 (# 216:10 Unique 2.13, 2.19 A)
&rst
ixpk= 216, nxpk= 10, iat=1264,1271, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 81 ILE HN 80 LYS HN 3.00 (# 217:10 Unique 2.06, 2.12 A)
&rst
ixpk= 217, nxpk= 10, iat=1293,1271, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 79 GLY HA- 80 LYS HN 3.00 (# 218:10 Unique 2.95, 3.31 A)
&rst
ixpk= 218, nxpk= 10, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1266,1267,
&end
#
# 80 LYS HB- 80 LYS HN 3.00 (# 219:10 Unique 2.24, 3.09 A)
&rst
ixpk= 219, nxpk= 10, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1275,1276,
&end
#
# 80 LYS HG+ 80 LYS HN 4.00 (# 220:10 Unique 1.87, 3.18 A)
&rst
ixpk= 220, nxpk= 10, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1278,1279,
&end
#
# 80 LYS HA 80 LYS HN 3.00 (# 222:10 Unique 2.92, 2.92 A)
&rst
ixpk= 222, nxpk= 10, iat=1273,1271, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 79 GLY HA+ 80 LYS HN 3.00 (# 223:10 Unique 2.95, 3.31 A)
&rst
ixpk= 223, nxpk= 10, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1266,1267,
&end
#
# 77 ASP HB+ 80 LYS HN 4.00 (# 224:10 Unique 2.12, 3.37 A)
&rst
ixpk= 224, nxpk= 10, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1242,1243,
&end
#
# 80 LYS HD- 80 LYS HN 5.00 (# 226:10 Unique 1.86, 4.01 A)
&rst
ixpk= 226, nxpk= 10, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1281,1282,
&end
#
# 80 LYS HG- 80 LYS HN 4.00 (# 228:10 Unique 1.87, 3.18 A)
&rst
ixpk= 228, nxpk= 10, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1278,1279,
&end
#
# 0 AMB 10-2:234 0 AMB 10-1:234 4.00 (# 234:10 Double Ambig)
&rst
ixpk= 234, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 907, 760,
igr2= 917,2070,
&end
#
# 0 AMB 10-2:235 0 AMB 10-1:235 4.00 (# 235:10 Double Ambig)
&rst
ixpk= 235, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 863,2079,
igr2= 917,2070,
&end
#
# 0 AMB 10-2:236 132 GLY HN 5.00 (# 236:10 Single Ambig)
&rst
ixpk= 236, nxpk= 10, iat= -1,2070, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2063,2064,2072,2073,2054,2055,
&end
#
# 0 AMB 10-2:237 0 AMB 10-1:237 3.00 (# 237:10 Double Ambig)
&rst
ixpk= 237, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2072,2073, 919,2054,2055,
igr2=2070, 917,
&end
#
# 0 AMB 10-2:238 57 LYS HN 3.00 (# 238:10 Single Ambig)
&rst
ixpk= 238, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 909, 910, 943, 944,
&end
#
# 0 AMB 10-2:239 57 LYS HN 3.00 (# 239:10 Single Ambig)
&rst
ixpk= 239, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 909, 910, 885, 886,
&end
#
# 57 LYS HB- 57 LYS HN 3.00 (# 240:10 Unique 2.17, 2.68 A)
&rst
ixpk= 240, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 921, 922,
&end
#
# 57 LYS HB+ 57 LYS HN 3.00 (# 241:10 Unique 2.17, 2.68 A)
&rst
ixpk= 241, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 921, 922,
&end
#
# 0 AMB 10-2:242 0 AMB 10-1:242 5.00 (# 242:10 Double Ambig)
&rst
ixpk= 242, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 924, 925, 701, 702, 703, 705, 706, 707,
igr2= 917,2070,
&end
#
# 57 LYS HG+ 57 LYS HN 5.00 (# 243:10 Unique 2.42, 4.01 A)
&rst
ixpk= 243, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 924, 925,
&end
#
# 0 AMB 10-2:244 17 LEU HN 5.00 (# 244:10 Single Ambig)
&rst
ixpk= 244, nxpk= 10, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 283, 284, 285, 287, 288, 289,1536,1537,1538,1540,
1541,1542,
&end
#
# 82 LYS HN 81 ILE HN 4.00 (# 245:10 Unique 2.68, 2.88 A)
&rst
ixpk= 245, nxpk= 10, iat=1312,1293, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 80 LYS HN 81 ILE HN 3.00 (# 246:10 Unique 2.06, 2.12 A)
&rst
ixpk= 246, nxpk= 10, iat=1271,1293, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 80 LYS HA 81 ILE HN 5.00 (# 247:10 Unique 3.55, 3.59 A)
&rst
ixpk= 247, nxpk= 10, iat=1273,1293, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 81 ILE QD1 81 ILE HN 3.00 (# 248:10 Unique 2.22, 3.81 A)
&rst
ixpk= 248, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1306,1307,1308,
&end
#
# 78 PRO HA 81 ILE HN 4.00 (# 249:10 Unique 3.03, 3.33 A)
&rst
ixpk= 249, nxpk= 10, iat=1260,1293, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 ILE HA 81 ILE HN 4.00 (# 250:10 Unique 2.65, 2.77 A)
&rst
ixpk= 250, nxpk= 10, iat=1295,1293, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 80 LYS HB- 81 ILE HN 4.00 (# 251:10 Unique 3.30, 3.93 A)
&rst
ixpk= 251, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1275,1276,
&end
#
# 81 ILE HG1+ 81 ILE HN 3.00 (# 252:10 Unique 1.90, 2.83 A)
&rst
ixpk= 252, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1303,1304,
&end
#
# 39 ILE QD1 81 ILE HN 5.00 (# 253:10 Unique 3.30, 4.50 A)
&rst
ixpk= 253, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 648, 649, 650,
&end
#
# 81 ILE HG1- 81 ILE HN 4.00 (# 254:10 Unique 1.90, 2.83 A)
&rst
ixpk= 254, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1303,1304,
&end
#
# 52 ASN HN 51 VAL HN 3.00 (# 255:10 Unique 2.64, 2.80 A)
&rst
ixpk= 255, nxpk= 10, iat= 832, 816, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 50 GLN HN 51 VAL HN 3.00 (# 256:10 Unique 2.18, 2.39 A)
&rst
ixpk= 256, nxpk= 10, iat= 799, 816, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 VAL HA 51 VAL HN 3.00 (# 257:10 Unique 2.64, 2.72 A)
&rst
ixpk= 257, nxpk= 10, iat= 818, 816, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 VAL MGX 51 VAL HN 4.00 (# 258:10 Unique 1.90, 3.78 A)
&rst
ixpk= 258, nxpk= 10, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 16 TRP HA 17 LEU HN 3.00 (# 261:10 Unique 2.21, 2.24 A)
&rst
ixpk= 261, nxpk= 10, iat= 252, 274, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 LEU HA 17 LEU HN 6.00 (# 262:10 Unique 2.83, 2.90 A)
&rst
ixpk= 262, nxpk= 10, iat= 276, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 TRP HB- 17 LEU HN 5.00 (# 263:10 Unique 2.90, 4.06 A)
&rst
ixpk= 263, nxpk= 10, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 254, 255,
&end
#
# 0 AMB 10-2:264 17 LEU HN 4.00 (# 264:10 Single Ambig)
&rst
ixpk= 264, nxpk= 10, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 278, 279, 281,
&end
#
# 17 LEU MDY 17 LEU HN 4.00 (# 265:10 Unique 1.96, 4.21 A)
&rst
ixpk= 265, nxpk= 10, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 283, 284, 285, 287, 288, 289,
&end
#
# 0 AMB 10-2:266 17 LEU HN 4.00 (# 266:10 Single Ambig)
&rst
ixpk= 266, nxpk= 10, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 269, 263,
&end
#
# 2 LYS HA 2 LYS HN 3.00 (# 269:10 Unique 2.91, 2.93 A)
&rst
ixpk= 269, nxpk= 10, iat= 23, 21, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 1 MET HA 2 LYS HN 3.00 (# 270:10 Unique 2.20, 2.30 A)
&rst
ixpk= 270, nxpk= 10, iat= 6, 21, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 GLN HG+ 2 LYS HN 3.00 (# 271:10 Unique 1.89, 2.73 A)
&rst
ixpk= 271, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 93, 94,
&end
#
# 0 AMB 10-2:272 2 LYS HN 4.00 (# 272:10 Single Ambig)
&rst
ixpk= 272, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 90, 91, 66, 67,
&end
#
# 1 MET HB+ 2 LYS HN 4.00 (# 273:10 Unique 2.56, 3.70 A)
&rst
ixpk= 273, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 8, 9,
&end
#
# 2 LYS HB- 2 LYS HN 3.00 (# 274:10 Unique 2.50, 3.41 A)
&rst
ixpk= 274, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 25, 26,
&end
#
# 2 LYS HG- 2 LYS HN 3.00 (# 275:10 Unique 1.92, 2.92 A)
&rst
ixpk= 275, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 28, 29,
&end
#
# 0 AMB 10-2:277 81 ILE HN 3.00 (# 277:10 Single Ambig)
&rst
ixpk= 277, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1278,1279,1297,
&end
#
# 81 ILE QG2 81 ILE HN 4.00 (# 278:10 Unique 4.21, 4.46 A)
&rst
ixpk= 278, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1299,1300,1301,
&end
#
# 48 MET HA 51 VAL HN 4.00 (# 279:10 Unique 3.34, 3.71 A)
&rst
ixpk= 279, nxpk= 10, iat= 770, 816, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 50 GLN HA 51 VAL HN 5.00 (# 280:10 Unique 3.61, 3.64 A)
&rst
ixpk= 280, nxpk= 10, iat= 801, 816, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 50 GLN HB- 51 VAL HN 3.00 (# 281:10 Unique 2.11, 2.82 A)
&rst
ixpk= 281, nxpk= 10, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 803, 804,
&end
#
# 51 VAL HB 51 VAL HN 3.00 (# 282:10 Unique 2.00, 2.29 A)
&rst
ixpk= 282, nxpk= 10, iat= 820, 816, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 50 GLN HB+ 51 VAL HN 4.00 (# 283:10 Unique 2.11, 2.82 A)
&rst
ixpk= 283, nxpk= 10, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 803, 804,
&end
#
# 51 VAL MGY 51 VAL HN 3.00 (# 284:10 Unique 1.90, 3.78 A)
&rst
ixpk= 284, nxpk= 10, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 29 GLU HN 30 LYS HN 3.00 (# 285:10 Unique 1.70, 2.08 A)
&rst
ixpk= 285, nxpk= 10, iat= 460, 475, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 30 LYS HA 30 LYS HN 4.00 (# 286:10 Unique 2.93, 2.93 A)
&rst
ixpk= 286, nxpk= 10, iat= 477, 475, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:288 30 LYS HN 4.00 (# 288:10 Single Ambig)
&rst
ixpk= 288, nxpk= 10, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 462, 455, 456,
&end
#
# 29 GLU HB+ 30 LYS HN 4.00 (# 289:10 Unique 2.09, 3.44 A)
&rst
ixpk= 289, nxpk= 10, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 464, 465,
&end
#
# 29 GLU HB- 30 LYS HN 3.00 (# 290:10 Unique 2.09, 3.44 A)
&rst
ixpk= 290, nxpk= 10, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 464, 465,
&end
#
# 0 AMB 10-2:291 30 LYS HN 3.00 (# 291:10 Single Ambig)
&rst
ixpk= 291, nxpk= 10, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 479, 480,1882,1883,
&end
#
# 0 AMB 10-2:292 30 LYS HN 3.00 (# 292:10 Single Ambig)
&rst
ixpk= 292, nxpk= 10, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 482, 483,1882,1883,
&end
#
# 22 THR HB 23 ARG HN 3.00 (# 294:10 Unique 1.94, 2.61 A)
&rst
ixpk= 294, nxpk= 10, iat= 349, 359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 ARG HA 23 ARG HN 4.00 (# 295:10 Unique 2.66, 2.74 A)
&rst
ixpk= 295, nxpk= 10, iat= 361, 359, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 ARG HB+ 23 ARG HN 3.00 (# 296:10 Unique 2.28, 3.05 A)
&rst
ixpk= 296, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 363, 364,
&end
#
# 24 GLU HN 23 ARG HN 5.00 (# 297:10 Unique 2.40, 2.69 A)
&rst
ixpk= 297, nxpk= 10, iat= 383, 359, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 HIS HN 116 VAL HN 5.00 (# 300:10 Unique 3.10, 3.34 A)
&rst
ixpk= 300, nxpk= 10, iat=1981,1830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:301 116 VAL HN 5.00 (# 301:10 Single Ambig)
&rst
ixpk= 301, nxpk= 10, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1856,1860,1817,1826,1998,
&end
#
# 126 PHE HA 116 VAL HN 4.00 (# 302:10 Unique 2.71, 2.90 A)
&rst
ixpk= 302, nxpk= 10, iat=2000,1830, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:303 116 VAL HN 3.00 (# 303:10 Single Ambig)
&rst
ixpk= 303, nxpk= 10, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1811,1832,
&end
#
# 116 VAL HB 116 VAL HN 3.00 (# 304:10 Unique 2.15, 2.57 A)
&rst
ixpk= 304, nxpk= 10, iat=1834,1830, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:305 116 VAL HN 3.00 (# 305:10 Single Ambig)
&rst
ixpk= 305, nxpk= 10, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
1841,1842,1947,1948,1949,1951,1952,1953,
&end
#
# 123 LEU MDY 116 VAL HN 3.00 (# 306:10 Unique 2.37, 4.35 A)
&rst
ixpk= 306, nxpk= 10, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1947,1948,1949,1951,1952,1953,
&end
#
# 6 PRO HA 7 MET HN 3.00 (# 307:10 Unique 2.37, 2.78 A)
&rst
ixpk= 307, nxpk= 10, iat= 113, 117, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 7 MET HA 7 MET HN 5.00 (# 308:10 Unique 2.29, 2.53 A)
&rst
ixpk= 308, nxpk= 10, iat= 119, 117, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 PRO HB+ 7 MET HN 5.00 (# 309:10 Unique 1.83, 2.59 A)
&rst
ixpk= 309, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 110, 111,
&end
#
# 0 AMB 10-2:310 7 MET HN 4.00 (# 310:10 Single Ambig)
&rst
ixpk= 310, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 110, 111, 121, 122,
&end
#
# 7 MET ME 7 MET HN 4.00 (# 311:10 Unique 1.81, 3.27 A)
&rst
ixpk= 311, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 128, 129, 130,
&end
#
# 37 TRP HZ2 37 TRP HE1 3.00 (# 314:10 Unique 2.85, 2.85 A)
&rst
ixpk= 314, nxpk= 10, iat= 613, 610, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 37 TRP HD1 37 TRP HE1 3.00 (# 315:10 Unique 2.64, 2.64 A)
&rst
ixpk= 315, nxpk= 10, iat= 608, 610, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 66 ALA MB 37 TRP HE1 3.00 (# 316:10 Unique 1.87, 3.37 A)
&rst
ixpk= 316, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1075,1076,1077,
&end
#
# 94 ILE QD1 37 TRP HE1 5.00 (# 317:10 Unique 2.10, 6.13 A)
&rst
ixpk= 317, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1504,1505,1506,
&end
#
# 0 AMB 10-2:318 37 TRP HE1 3.00 (# 318:10 Single Ambig)
&rst
ixpk= 318, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 822, 823, 824, 826, 827, 828,1497,1498,1499,
&end
#
# 94 ILE HG1- 37 TRP HE1 6.00 (# 319:10 Unique 2.39, 5.84 A)
&rst
ixpk= 319, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1501,1502,
&end
#
# 60 ASP HN 59 GLN HN 5.00 (# 320:10 Unique 2.53, 3.46 A)
&rst
ixpk= 320, nxpk= 10, iat= 977, 960, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:321 59 GLN HN 6.00 (# 321:10 Single Ambig)
&rst
ixpk= 321, nxpk= 10, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 989, 881,
&end
#
# 58 TYR HN 59 GLN HN 3.00 (# 322:10 Unique 1.89, 2.49 A)
&rst
ixpk= 322, nxpk= 10, iat= 939, 960, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 54 PHE HD 59 GLN HN 6.00 (# 323:10 Unique 6.76, 8.50 A)
&rst
ixpk= 323, nxpk= 10, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 869, 877,
&end
#
# 58 TYR HA 59 GLN HN 4.00 (# 324:10 Unique 2.84, 3.15 A)
&rst
ixpk= 324, nxpk= 10, iat= 941, 960, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 56 ASP HA 59 GLN HN 4.00 (# 325:10 Unique 3.06, 3.36 A)
&rst
ixpk= 325, nxpk= 10, iat= 907, 960, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 59 GLN HA 59 GLN HN 3.00 (# 326:10 Unique 2.70, 2.80 A)
&rst
ixpk= 326, nxpk= 10, iat= 962, 960, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:327 59 GLN HN 4.00 (# 327:10 Single Ambig)
&rst
ixpk= 327, nxpk= 10, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 883, 919,
&end
#
# 58 TYR HB+ 59 GLN HN 4.00 (# 328:10 Unique 3.00, 4.07 A)
&rst
ixpk= 328, nxpk= 10, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 943, 944,
&end
#
# 59 GLN HG+ 59 GLN HN 3.00 (# 329:10 Unique 3.36, 4.36 A)
&rst
ixpk= 329, nxpk= 10, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 967, 968,
&end
#
# 59 GLN HB+ 59 GLN HN 3.00 (# 330:10 Unique 2.02, 2.59 A)
&rst
ixpk= 330, nxpk= 10, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 964, 965,
&end
#
# 59 GLN HB- 59 GLN HN 3.00 (# 331:10 Unique 2.02, 2.59 A)
&rst
ixpk= 331, nxpk= 10, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 964, 965,
&end
#
# 72 SER HN 71 ARG HN 3.00 (# 332:10 Unique 2.27, 2.64 A)
&rst
ixpk= 332, nxpk= 10, iat=1169,1145, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 70 PRO HA 71 ARG HN 3.00 (# 334:10 Unique 2.28, 2.53 A)
&rst
ixpk= 334, nxpk= 10, iat=1141,1145, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 75 ASP HB+ 71 ARG HN 4.00 (# 335:10 Unique 2.07, 3.32 A)
&rst
ixpk= 335, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1211,1212,
&end
#
# 75 ASP HB- 71 ARG HN 5.00 (# 336:10 Unique 2.07, 3.32 A)
&rst
ixpk= 336, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1211,1212,
&end
#
# 71 ARG HB- 71 ARG HN 4.00 (# 337:10 Unique 2.03, 2.58 A)
&rst
ixpk= 337, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1149,1150,
&end
#
# 71 ARG HB+ 71 ARG HN 4.00 (# 338:10 Unique 2.03, 2.58 A)
&rst
ixpk= 338, nxpk= 10, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1149,1150,
&end
#
# 37 TRP HD1 37 TRP HN 3.00 (# 339:10 Unique 3.02, 3.36 A)
&rst
ixpk= 339, nxpk= 10, iat= 608, 600, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 36 PHE HA 37 TRP HN 3.00 (# 340:10 Unique 2.19, 2.20 A)
&rst
ixpk= 340, nxpk= 10, iat= 582, 600, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:341 37 TRP HN 4.00 (# 341:10 Single Ambig)
&rst
ixpk= 341, nxpk= 10, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 604, 605,1099,
&end
#
# 0 AMB 10-2:342 0 AMB 10-1:342 4.00 (# 342:10 Double Ambig)
&rst
ixpk= 342, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1792,1793, 584, 585,
igr2=1809, 600,
&end
#
# 0 AMB 10-2:343 0 AMB 10-1:343 4.00 (# 343:10 Double Ambig)
&rst
ixpk= 343, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 602,1811,
igr2= 600,1809,
&end
#
# 0 AMB 10-2:344 0 AMB 10-1:344 4.00 (# 344:10 Double Ambig)
&rst
ixpk= 344, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1=1754,1755,1756,1758,1759,1760,1836,1837,1838,1840,
1841,1842,1497,1498,1499,
igr2= 600,1809,
&end
#
# 102 LEU HN 103 THR HN 4.00 (# 349:10 Unique 2.54, 2.69 A)
&rst
ixpk= 349, nxpk= 10, iat=1608,1627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:351 103 THR HN 4.00 (# 351:10 Single Ambig)
&rst
ixpk= 351, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1610,1583,
&end
#
# 103 THR HA 103 THR HN 4.00 (# 352:10 Unique 2.73, 2.76 A)
&rst
ixpk= 352, nxpk= 10, iat=1629,1627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 THR HB 103 THR HN 5.00 (# 353:10 Unique 2.56, 3.37 A)
&rst
ixpk= 353, nxpk= 10, iat=1631,1627, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 THR MG2 103 THR HN 4.00 (# 354:10 Unique 1.71, 2.98 A)
&rst
ixpk= 354, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1633,1634,1635,
&end
#
# 115 TYR HD 115 TYR HN 3.00 (# 355:10 Unique 2.19, 3.50 A)
&rst
ixpk= 355, nxpk= 10, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1817,1826,
&end
#
# 114 TYR HA 115 TYR HN 3.00 (# 356:10 Unique 2.19, 2.23 A)
&rst
ixpk= 356, nxpk= 10, iat=1790,1809, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:357 0 AMB 10-1:357 4.00 (# 357:10 Double Ambig)
&rst
ixpk= 357, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1813,1814, 604, 605,
igr2=1809, 600,
&end
#
# 33 LEU MDY 115 TYR HN 4.00 (# 358:10 Unique 2.26, 4.82 A)
&rst
ixpk= 358, nxpk= 10, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 534, 535, 536, 538, 539, 540,
&end
#
# 35 HIS HA 115 TYR HN 6.00 (# 359:10 Unique 2.97, 3.16 A)
&rst
ixpk= 359, nxpk= 10, iat= 565,1809, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 TYR HB- 115 TYR HN 4.00 (# 360:10 Unique 2.14, 3.12 A)
&rst
ixpk= 360, nxpk= 10, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1813,1814,
&end
#
# 0 AMB 10-2:361 115 TYR HN 5.00 (# 361:10 Single Ambig)
&rst
ixpk= 361, nxpk= 10, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 550, 551, 552,1947,1948,1949,1951,1952,1953,
&end
#
# 145 ALA HN 144 LEU HN 3.00 (# 362:10 Unique 2.17, 2.44 A)
&rst
ixpk= 362, nxpk= 10, iat=2302,2283, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 143 VAL HA 144 LEU HN 4.00 (# 363:10 Unique 3.50, 3.56 A)
&rst
ixpk= 363, nxpk= 10, iat=2269,2283, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:364 144 LEU HN 3.00 (# 364:10 Single Ambig)
&rst
ixpk= 364, nxpk= 10, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
&end
#
# 144 LEU MDX 144 LEU HN 4.00 (# 365:10 Unique 2.59, 4.37 A)
&rst
ixpk= 365, nxpk= 10, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2292,2293,2294,2296,2297,2298,
&end
#
# 144 LEU MDY 144 LEU HN 3.00 (# 366:10 Unique 2.59, 4.37 A)
&rst
ixpk= 366, nxpk= 10, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2292,2293,2294,2296,2297,2298,
&end
#
# 143 VAL HN 144 LEU HN 3.00 (# 367:10 Unique 2.54, 2.77 A)
&rst
ixpk= 367, nxpk= 10, iat=2267,2283, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 141 ASN HA 144 LEU HN 3.00 (# 368:10 Unique 3.31, 3.58 A)
&rst
ixpk= 368, nxpk= 10, iat=2231,2283, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:369 144 LEU HN 3.00 (# 369:10 Single Ambig)
&rst
ixpk= 369, nxpk= 10, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2285,2245,
&end
#
# 144 LEU HB+ 144 LEU HN 3.00 (# 370:10 Unique 2.22, 2.96 A)
&rst
ixpk= 370, nxpk= 10, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2287,2288,
&end
#
# 144 LEU HB- 144 LEU HN 3.00 (# 371:10 Unique 2.22, 2.96 A)
&rst
ixpk= 371, nxpk= 10, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2287,2288,
&end
#
# 52 ASN HN 53 GLU HN 3.00 (# 372:10 Unique 2.05, 2.35 A)
&rst
ixpk= 372, nxpk= 10, iat= 832, 846, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 53 GLU HA 53 GLU HN 3.00 (# 373:10 Unique 2.89, 2.90 A)
&rst
ixpk= 373, nxpk= 10, iat= 848, 846, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 50 GLN HA 53 GLU HN 4.00 (# 374:10 Unique 2.78, 3.05 A)
&rst
ixpk= 374, nxpk= 10, iat= 801, 846, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:375 53 GLU HN 3.00 (# 375:10 Single Ambig)
&rst
ixpk= 375, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 836, 837, 930, 931,
&end
#
# 53 GLU HG+ 53 GLU HN 4.00 (# 376:10 Unique 1.76, 2.31 A)
&rst
ixpk= 376, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 853, 854,
&end
#
# 0 AMB 10-2:377 53 GLU HN 5.00 (# 377:10 Single Ambig)
&rst
ixpk= 377, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 803, 804, 806, 807, 806, 807,1467,1468,
&end
#
# 53 GLU HB- 53 GLU HN 3.00 (# 378:10 Unique 2.36, 3.31 A)
&rst
ixpk= 378, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 850, 851,
&end
#
# 53 GLU HB+ 53 GLU HN 3.00 (# 379:10 Unique 2.36, 3.31 A)
&rst
ixpk= 379, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 850, 851,
&end
#
# 0 AMB 10-2:380 53 GLU HN 4.00 (# 380:10 Single Ambig)
&rst
ixpk= 380, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 834, 795,
&end
#
# 141 ASN HN 140 VAL HN 3.00 (# 381:10 Unique 2.64, 2.87 A)
&rst
ixpk= 381, nxpk= 10, iat=2229,2213, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 139 ARG HN 140 VAL HN 3.00 (# 382:10 Unique 2.53, 2.66 A)
&rst
ixpk= 382, nxpk= 10, iat=2189,2213, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 139 ARG HA 140 VAL HN 5.00 (# 383:10 Unique 3.48, 3.53 A)
&rst
ixpk= 383, nxpk= 10, iat=2191,2213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 137 GLU HA 140 VAL HN 4.00 (# 384:10 Unique 3.43, 3.73 A)
&rst
ixpk= 384, nxpk= 10, iat=2154,2213, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 140 VAL HA 140 VAL HN 3.00 (# 385:10 Unique 2.74, 2.81 A)
&rst
ixpk= 385, nxpk= 10, iat=2215,2213, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 140 VAL HB 140 VAL HN 3.00 (# 386:10 Unique 1.98, 2.36 A)
&rst
ixpk= 386, nxpk= 10, iat=2217,2213, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 139 ARG HB- 140 VAL HN 4.00 (# 387:10 Unique 2.58, 3.42 A)
&rst
ixpk= 387, nxpk= 10, iat= -1,2213, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2193,2194,
&end
#
# 139 ARG HB+ 140 VAL HN 4.00 (# 388:10 Unique 2.58, 3.42 A)
&rst
ixpk= 388, nxpk= 10, iat= -1,2213, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2193,2194,
&end
#
# 0 AMB 10-2:389 140 VAL HN 5.00 (# 389:10 Single Ambig)
&rst
ixpk= 389, nxpk= 10, iat= -1,2213, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
1841,1842,
&end
#
# 140 VAL MGX 140 VAL HN 3.00 (# 390:10 Unique 1.75, 3.73 A)
&rst
ixpk= 390, nxpk= 10, iat= -1,2213, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2219,2220,2221,2223,2224,2225,
&end
#
# 136 LEU MDX 140 VAL HN 5.00 (# 391:10 Unique 2.51, 5.17 A)
&rst
ixpk= 391, nxpk= 10, iat= -1,2213, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2142,2143,2144,2146,2147,2148,
&end
#
# 140 VAL MGY 140 VAL HN 3.00 (# 392:10 Unique 1.75, 3.73 A)
&rst
ixpk= 392, nxpk= 10, iat= -1,2213, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2219,2220,2221,2223,2224,2225,
&end
#
# 0 AMB 10-2:395 0 AMB 10-1:395 6.00 (# 395:10 Double Ambig)
&rst
ixpk= 395, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1610,2304,
igr2=1641,2283,
&end
#
# 143 VAL HB 144 LEU HN 4.00 (# 396:10 Unique 2.40, 3.74 A)
&rst
ixpk= 396, nxpk= 10, iat=2271,2283, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:397 144 LEU HN 4.00 (# 397:10 Single Ambig)
&rst
ixpk= 397, nxpk= 10, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 501, 502,1010,1011, 504, 505,2217,
&end
#
# 144 LEU HG 144 LEU HN 3.00 (# 398:10 Unique 2.03, 2.62 A)
&rst
ixpk= 398, nxpk= 10, iat=2290,2283, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 104 ASP HA 104 ASP HN 3.00 (# 402:10 Unique 2.72, 2.78 A)
&rst
ixpk= 402, nxpk= 10, iat=1643,1641, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 102 LEU HA 104 ASP HN 6.00 (# 403:10 Unique 3.40, 3.87 A)
&rst
ixpk= 403, nxpk= 10, iat=1610,1641, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 ASP HB- 104 ASP HN 3.00 (# 404:10 Unique 2.23, 2.60 A)
&rst
ixpk= 404, nxpk= 10, iat= -1,1641, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1645,1646,
&end
#
# 104 ASP HB+ 104 ASP HN 3.00 (# 405:10 Unique 2.23, 2.60 A)
&rst
ixpk= 405, nxpk= 10, iat= -1,1641, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1645,1646,
&end
#
# 103 THR MG2 104 ASP HN 5.00 (# 406:10 Unique 4.02, 4.82 A)
&rst
ixpk= 406, nxpk= 10, iat= -1,1641, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1633,1634,1635,
&end
#
# 105 ALA HN 104 ASP HN 4.00 (# 407:10 Unique 2.31, 2.58 A)
&rst
ixpk= 407, nxpk= 10, iat=1653,1641, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 101 ALA HA 104 ASP HN 4.00 (# 408:10 Unique 3.12, 3.47 A)
&rst
ixpk= 408, nxpk= 10, iat=1600,1641, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:409 104 ASP HN 4.00 (# 409:10 Single Ambig)
&rst
ixpk= 409, nxpk= 10, iat= -1,1641, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1629,1685,
&end
#
# 5 GLN HA 5 GLN HN 3.00 (# 412:10 Unique 2.87, 2.90 A)
&rst
ixpk= 412, nxpk= 10, iat= 88, 86, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 6 PRO HD+ 5 GLN HN 5.00 (# 413:10 Unique 2.33, 3.58 A)
&rst
ixpk= 413, nxpk= 10, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 104, 105,
&end
#
# 3 LEU HA 5 GLN HN 4.00 (# 414:10 Unique 2.92, 3.11 A)
&rst
ixpk= 414, nxpk= 10, iat= 45, 86, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 ARG HA 5 GLN HN 4.00 (# 415:10 Unique 3.10, 3.24 A)
&rst
ixpk= 415, nxpk= 10, iat= 64, 86, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:416 5 GLN HN 3.00 (# 416:10 Single Ambig)
&rst
ixpk= 416, nxpk= 10, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 90, 91, 110, 111,
&end
#
# 0 AMB 10-2:417 5 GLN HN 3.00 (# 417:10 Single Ambig)
&rst
ixpk= 417, nxpk= 10, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 90, 91, 66, 67,
&end
#
# 0 AMB 10-2:418 5 GLN HN 4.00 (# 418:10 Single Ambig)
&rst
ixpk= 418, nxpk= 10, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 25, 26, 8, 9,
&end
#
# 4 ARG HG- 5 GLN HN 4.00 (# 419:10 Unique 2.80, 4.75 A)
&rst
ixpk= 419, nxpk= 10, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 69, 70,
&end
#
# 123 LEU HB+ 5 GLN HN 4.00 (# 420:10 Unique 2.31, 3.30 A)
&rst
ixpk= 420, nxpk= 10, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1942,1943,
&end
#
# 123 LEU HG 5 GLN HN 5.00 (# 421:10 Unique 3.79, 4.50 A)
&rst
ixpk= 421, nxpk= 10, iat=1945, 86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 LEU MDX 5 GLN HN 4.00 (# 422:10 Unique 2.55, 5.30 A)
&rst
ixpk= 422, nxpk= 10, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1947,1948,1949,1951,1952,1953,
&end
#
# 4 ARG HN 5 GLN HN 3.00 (# 423:10 Unique 1.63, 2.21 A)
&rst
ixpk= 423, nxpk= 10, iat= 62, 86, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 123 LEU HN 5 GLN HN 5.00 (# 424:10 Unique 3.97, 4.07 A)
&rst
ixpk= 424, nxpk= 10, iat=1938, 86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 GLN HG+ 5 GLN HN 3.00 (# 426:10 Unique 1.78, 2.89 A)
&rst
ixpk= 426, nxpk= 10, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 93, 94,
&end
#
# 4 ARG HG+ 5 GLN HN 4.00 (# 427:10 Unique 2.80, 4.75 A)
&rst
ixpk= 427, nxpk= 10, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 69, 70,
&end
#
# 137 GLU HN 136 LEU HN 3.00 (# 429:10 Unique 2.03, 2.38 A)
&rst
ixpk= 429, nxpk= 10, iat=2152,2133, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 138 LYS HN 136 LEU HN 4.00 (# 430:10 Unique 3.51, 3.83 A)
&rst
ixpk= 430, nxpk= 10, iat=2167,2133, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 133 MET HA 136 LEU HN 4.00 (# 431:10 Unique 2.83, 3.11 A)
&rst
ixpk= 431, nxpk= 10, iat=2079,2133, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:432 136 LEU HN 4.00 (# 432:10 Single Ambig)
&rst
ixpk= 432, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2118,2054,2055,
&end
#
# 136 LEU HA 136 LEU HN 3.00 (# 433:10 Unique 2.80, 2.88 A)
&rst
ixpk= 433, nxpk= 10, iat=2135,2133, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 135 MET ME 136 LEU HN 3.00 (# 434:10 Unique 1.93, 3.81 A)
&rst
ixpk= 434, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2127,2128,2129,
&end
#
# 136 LEU HB+ 136 LEU HN 3.00 (# 435:10 Unique 2.05, 2.57 A)
&rst
ixpk= 435, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2137,2138,
&end
#
# 136 LEU MDX 136 LEU HN 4.00 (# 436:10 Unique 2.49, 5.04 A)
&rst
ixpk= 436, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2142,2143,2144,2146,2147,2148,
&end
#
# 135 MET HN 136 LEU HN 3.00 (# 437:10 Unique 2.00, 2.24 A)
&rst
ixpk= 437, nxpk= 10, iat=2116,2133, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 50 GLN HE2- 136 LEU HN 5.00 (# 438:10 Unique 6.32, 8.17 A)
&rst
ixpk= 438, nxpk= 10, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 811, 812,
&end
#
# 0 AMB 10-2:439 0 AMB 10-1:439 3.00 (# 439:10 Double Ambig)
&rst
ixpk= 439, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2137,2138,1223,1224,
igr2=2133,1238,
&end
#
# 0 AMB 10-2:440 0 AMB 10-1:440 4.00 (# 440:10 Double Ambig)
&rst
ixpk= 440, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1306,1307,1308,2142,2143,2144,2146,2147,2148,
igr2=1238,2133,
&end
#
# 76 LEU HN 77 ASP HN 3.00 (# 441:10 Unique 1.92, 2.23 A)
&rst
ixpk= 441, nxpk= 10, iat=1219,1238, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 76 LEU HA 77 ASP HN 4.00 (# 443:10 Unique 3.35, 3.48 A)
&rst
ixpk= 443, nxpk= 10, iat=1221,1238, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 77 ASP HB+ 77 ASP HN 3.00 (# 444:10 Unique 2.15, 2.79 A)
&rst
ixpk= 444, nxpk= 10, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1242,1243,
&end
#
# 77 ASP HB- 77 ASP HN 3.00 (# 445:10 Unique 2.15, 2.79 A)
&rst
ixpk= 445, nxpk= 10, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1242,1243,
&end
#
# 76 LEU HG 77 ASP HN 5.00 (# 446:10 Unique 2.19, 4.21 A)
&rst
ixpk= 446, nxpk= 10, iat=1226,1238, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:450 0 AMB 10-1:450 3.00 (# 450:10 Double Ambig)
&rst
ixpk= 450, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 608,1034,1035,
igr2=1081, 460,
&end
#
# 36 PHE HA 67 VAL HN 4.00 (# 451:10 Unique 2.16, 2.39 A)
&rst
ixpk= 451, nxpk= 10, iat= 582,1081, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 66 ALA HA 67 VAL HN 3.00 (# 452:10 Unique 2.37, 2.44 A)
&rst
ixpk= 452, nxpk= 10, iat=1073,1081, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 66 ALA MB 67 VAL HN 4.00 (# 453:10 Unique 2.54, 3.42 A)
&rst
ixpk= 453, nxpk= 10, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1075,1076,1077,
&end
#
# 67 VAL HB 67 VAL HN 4.00 (# 454:10 Unique 2.60, 2.91 A)
&rst
ixpk= 454, nxpk= 10, iat=1085,1081, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 67 VAL MGX 67 VAL HN 4.00 (# 455:10 Unique 1.93, 4.11 A)
&rst
ixpk= 455, nxpk= 10, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1087,1088,1089,1091,1092,1093,
&end
#
# 0 AMB 10-2:458 0 AMB 10-1:458 4.00 (# 458:10 Double Ambig)
&rst
ixpk= 458, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1223,1224,1278,1279,2174,2175,
igr2=1238,2133,
&end
#
# 47 ALA HN 48 MET HN 3.00 (# 459:10 Unique 1.82, 2.15 A)
&rst
ixpk= 459, nxpk= 10, iat= 758, 768, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 47 ALA HA 48 MET HN 4.00 (# 460:10 Unique 3.05, 3.27 A)
&rst
ixpk= 460, nxpk= 10, iat= 760, 768, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 MET HA 48 MET HN 3.00 (# 461:10 Unique 2.72, 2.81 A)
&rst
ixpk= 461, nxpk= 10, iat= 770, 768, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 49 PRO HD+ 48 MET HN 4.00 (# 462:10 Unique 1.80, 2.09 A)
&rst
ixpk= 462, nxpk= 10, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 786, 787,
&end
#
# 49 PRO HD- 48 MET HN 3.00 (# 463:10 Unique 1.80, 2.09 A)
&rst
ixpk= 463, nxpk= 10, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 786, 787,
&end
#
# 48 MET HG+ 48 MET HN 5.00 (# 464:10 Unique 1.86, 3.39 A)
&rst
ixpk= 464, nxpk= 10, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 775, 776,
&end
#
# 48 MET HB- 48 MET HN 3.00 (# 465:10 Unique 1.97, 2.83 A)
&rst
ixpk= 465, nxpk= 10, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 772, 773,
&end
#
# 48 MET HB+ 48 MET HN 3.00 (# 466:10 Unique 1.97, 2.83 A)
&rst
ixpk= 466, nxpk= 10, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 772, 773,
&end
#
# 0 AMB 10-2:467 48 MET HN 4.00 (# 467:10 Single Ambig)
&rst
ixpk= 467, nxpk= 10, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 789, 790, 820, 747, 748,
&end
#
# 0 AMB 10-2:468 48 MET HN 3.00 (# 468:10 Single Ambig)
&rst
ixpk= 468, nxpk= 10, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 762, 763, 764, 728, 729,
&end
#
# 48 MET ME 48 MET HN 4.00 (# 469:10 Unique 2.75, 4.67 A)
&rst
ixpk= 469, nxpk= 10, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 779, 780, 781,
&end
#
# 119 LYS HB- 29 GLU HN 5.00 (# 470:10 Unique 1.94, 3.29 A)
&rst
ixpk= 470, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1882,1883,
&end
#
# 0 AMB 10-2:472 29 GLU HN 3.00 (# 472:10 Single Ambig)
&rst
ixpk= 472, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 455, 456, 462,
&end
#
# 28 GLY HA+ 29 GLU HN 5.00 (# 473:10 Unique 2.28, 3.29 A)
&rst
ixpk= 473, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 455, 456,
&end
#
# 29 GLU HB+ 29 GLU HN 4.00 (# 474:10 Unique 2.67, 3.44 A)
&rst
ixpk= 474, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 464, 465,
&end
#
# 29 GLU HB- 29 GLU HN 4.00 (# 475:10 Unique 2.67, 3.44 A)
&rst
ixpk= 475, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 464, 465,
&end
#
# 30 LYS HN 29 GLU HN 3.00 (# 476:10 Unique 1.70, 2.08 A)
&rst
ixpk= 476, nxpk= 10, iat= 475, 460, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 46 GLU HN 45 LYS HN 4.00 (# 479:10 Unique 2.12, 2.52 A)
&rst
ixpk= 479, nxpk= 10, iat= 743, 721, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:480 45 LYS HN 4.00 (# 480:10 Single Ambig)
&rst
ixpk= 480, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 715, 716, 677,
&end
#
# 44 CYSS HN 45 LYS HN 4.00 (# 481:10 Unique 2.15, 2.45 A)
&rst
ixpk= 481, nxpk= 10, iat= 711, 721, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 45 LYS HA 45 LYS HN 4.00 (# 483:10 Unique 2.75, 2.82 A)
&rst
ixpk= 483, nxpk= 10, iat= 723, 721, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 45 LYS HB+ 45 LYS HN 4.00 (# 484:10 Unique 2.00, 2.91 A)
&rst
ixpk= 484, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 725, 726,
&end
#
# 45 LYS HD+ 45 LYS HN 3.00 (# 485:10 Unique 1.93, 3.34 A)
&rst
ixpk= 485, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 731, 732,
&end
#
# 45 LYS HG+ 45 LYS HN 4.00 (# 486:10 Unique 1.81, 3.39 A)
&rst
ixpk= 486, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 728, 729,
&end
#
# 93 PRO HA 94 ILE HN 4.00 (# 488:10 Unique 2.15, 2.16 A)
&rst
ixpk= 488, nxpk= 10, iat=1487,1491, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 HIS HN 87 GLU HN 3.00 (# 490:10 Unique 2.12, 2.27 A)
&rst
ixpk= 490, nxpk= 10, iat=1398,1383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 84 THR HA 87 GLU HN 3.00 (# 492:10 Unique 3.09, 3.33 A)
&rst
ixpk= 492, nxpk= 10, iat=1351,1383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 86 ALA HA 87 GLU HN 4.00 (# 493:10 Unique 3.42, 3.50 A)
&rst
ixpk= 493, nxpk= 10, iat=1375,1383, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 87 GLU HA 87 GLU HN 3.00 (# 495:10 Unique 2.83, 2.89 A)
&rst
ixpk= 495, nxpk= 10, iat=1385,1383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 87 GLU HB- 87 GLU HN 3.00 (# 497:10 Unique 2.10, 2.87 A)
&rst
ixpk= 497, nxpk= 10, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1387,1388,
&end
#
# 87 GLU HB+ 87 GLU HN 3.00 (# 498:10 Unique 2.10, 2.87 A)
&rst
ixpk= 498, nxpk= 10, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1387,1388,
&end
#
# 86 ALA MB 87 GLU HN 3.00 (# 499:10 Unique 2.87, 3.82 A)
&rst
ixpk= 499, nxpk= 10, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1377,1378,1379,
&end
#
# 84 THR HA 86 ALA HN 4.00 (# 500:10 Unique 3.80, 4.19 A)
&rst
ixpk= 500, nxpk= 10, iat=1351,1373, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:501 86 ALA HN 4.00 (# 501:10 Single Ambig)
&rst
ixpk= 501, nxpk= 10, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1365,1314,
&end
#
# 87 GLU HB- 86 ALA HN 5.00 (# 502:10 Unique 4.08, 5.20 A)
&rst
ixpk= 502, nxpk= 10, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1387,1388,
&end
#
# 0 AMB 10-2:503 0 AMB 10-1:503 5.00 (# 503:10 Double Ambig)
&rst
ixpk= 503, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1437,1438,1319,1320, 444, 445,
igr2=1373,1921,
&end
#
# 85 ALA HN 86 ALA HN 3.00 (# 504:10 Unique 2.31, 2.58 A)
&rst
ixpk= 504, nxpk= 10, iat=1363,1373, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 86 ALA HA 86 ALA HN 3.00 (# 505:10 Unique 2.77, 2.83 A)
&rst
ixpk= 505, nxpk= 10, iat=1375,1373, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 83 GLU HA 86 ALA HN 4.00 (# 506:10 Unique 2.93, 3.33 A)
&rst
ixpk= 506, nxpk= 10, iat=1336,1373, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 87 GLU HA 86 ALA HN 5.00 (# 507:10 Unique 4.75, 5.05 A)
&rst
ixpk= 507, nxpk= 10, iat=1385,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 ALA MB 86 ALA HN 3.00 (# 508:10 Unique 2.59, 3.63 A)
&rst
ixpk= 508, nxpk= 10, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1367,1368,1369,
&end
#
# 86 ALA MB 86 ALA HN 3.00 (# 509:10 Unique 2.02, 2.82 A)
&rst
ixpk= 509, nxpk= 10, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1377,1378,1379,
&end
#
# 135 MET ME 135 MET HN 4.00 (# 511:10 Unique 1.91, 4.67 A)
&rst
ixpk= 511, nxpk= 10, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2127,2128,2129,
&end
#
# 84 THR HN 83 GLU HN 3.00 (# 514:10 Unique 2.10, 2.46 A)
&rst
ixpk= 514, nxpk= 10, iat=1349,1334, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 82 LYS HN 83 GLU HN 3.00 (# 515:10 Unique 2.77, 2.87 A)
&rst
ixpk= 515, nxpk= 10, iat=1312,1334, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 83 GLU HA 83 GLU HN 3.00 (# 516:10 Unique 2.77, 2.86 A)
&rst
ixpk= 516, nxpk= 10, iat=1336,1334, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 83 GLU HG- 83 GLU HN 3.00 (# 517:10 Unique 3.13, 4.05 A)
&rst
ixpk= 517, nxpk= 10, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1341,1342,
&end
#
# 83 GLU HB- 83 GLU HN 3.00 (# 518:10 Unique 2.02, 2.69 A)
&rst
ixpk= 518, nxpk= 10, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1338,1339,
&end
#
# 82 LYS HB+ 83 GLU HN 3.00 (# 519:10 Unique 2.46, 3.51 A)
&rst
ixpk= 519, nxpk= 10, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1316,1317,
&end
#
# 82 LYS HG- 83 GLU HN 4.00 (# 520:10 Unique 2.59, 4.27 A)
&rst
ixpk= 520, nxpk= 10, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1319,1320,
&end
#
# 0 AMB 10-2:524 107 GLU HN 3.00 (# 524:10 Single Ambig)
&rst
ixpk= 524, nxpk= 10, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1687,1688,1690,1691,
&end
#
# 121 GLY HN 122 GLN HN 3.00 (# 525:10 Unique 2.16, 2.54 A)
&rst
ixpk= 525, nxpk= 10, iat=1914,1921, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 122 GLN HA 122 GLN HN 3.00 (# 527:10 Unique 2.90, 2.91 A)
&rst
ixpk= 527, nxpk= 10, iat=1923,1921, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:528 0 AMB 10-1:528 4.00 (# 528:10 Double Ambig)
&rst
ixpk= 528, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1916,1917,1631,
igr2=1921,1683,
&end
#
# 122 GLN HG- 122 GLN HN 3.00 (# 529:10 Unique 2.58, 3.52 A)
&rst
ixpk= 529, nxpk= 10, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1928,1929,
&end
#
# 0 AMB 10-2:530 0 AMB 10-1:530 3.00 (# 530:10 Double Ambig)
&rst
ixpk= 530, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1925,1926,1928,1929,1687,1688,
igr2=1921,1683,
&end
#
# 120 THR HN 122 GLN HN 4.00 (# 531:10 Unique 3.09, 3.42 A)
&rst
ixpk= 531, nxpk= 10, iat=1900,1921, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:532 0 AMB 10-1:532 3.00 (# 532:10 Double Ambig)
&rst
ixpk= 532, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1925,1926,1367,1368,1369,
igr2=1921,1373,
&end
#
# 62 LEU HG 62 LEU HN 6.00 (# 535:10 Unique 3.62, 4.62 A)
&rst
ixpk= 535, nxpk= 10, iat=1013,1006, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 144 LEU HN 145 ALA HN 3.00 (# 537:10 Unique 2.17, 2.44 A)
&rst
ixpk= 537, nxpk= 10, iat=2283,2302, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 145 ALA HA 145 ALA HN 3.00 (# 538:10 Unique 2.83, 2.88 A)
&rst
ixpk= 538, nxpk= 10, iat=2304,2302, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:539 0 AMB 10-1:539 3.00 (# 539:10 Double Ambig)
&rst
ixpk= 539, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2245,2285, 848,
igr2=2302, 861,
&end
#
# 0 AMB 10-2:540 0 AMB 10-1:540 5.00 (# 540:10 Double Ambig)
&rst
ixpk= 540, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2269, 883,
igr2=2302, 861,
&end
#
# 0 AMB 10-2:541 0 AMB 10-1:541 4.00 (# 541:10 Double Ambig)
&rst
ixpk= 541, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=2316,2317,2159,2160,2271,
igr2=2302, 861,
&end
#
# 0 AMB 10-2:542 0 AMB 10-1:542 3.00 (# 542:10 Double Ambig)
&rst
ixpk= 542, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2287,2288, 803, 804,
igr2=2302, 861,
&end
#
# 144 LEU HG 145 ALA HN 5.00 (# 543:10 Unique 4.37, 4.57 A)
&rst
ixpk= 543, nxpk= 10, iat=2290,2302, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 145 ALA MB 145 ALA HN 3.00 (# 544:10 Unique 2.08, 2.87 A)
&rst
ixpk= 544, nxpk= 10, iat= -1,2302, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2306,2307,2308,
&end
#
# 144 LEU HB- 145 ALA HN 3.00 (# 545:10 Unique 2.64, 3.29 A)
&rst
ixpk= 545, nxpk= 10, iat= -1,2302, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2287,2288,
&end
#
# 0 AMB 10-2:546 145 ALA HN 5.00 (# 546:10 Single Ambig)
&rst
ixpk= 546, nxpk= 10, iat= -1,2302, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
&end
#
# 144 LEU MDX 145 ALA HN 4.00 (# 547:10 Unique 4.29, 5.73 A)
&rst
ixpk= 547, nxpk= 10, iat= -1,2302, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2292,2293,2294,2296,2297,2298,
&end
#
# 144 LEU MDY 145 ALA HN 4.00 (# 548:10 Unique 4.29, 5.73 A)
&rst
ixpk= 548, nxpk= 10, iat= -1,2302, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2292,2293,2294,2296,2297,2298,
&end
#
# 0 AMB 10-2:549 0 AMB 10-1:549 4.00 (# 549:10 Double Ambig)
&rst
ixpk= 549, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2231, 834,
igr2=2302, 861,
&end
#
# 82 LYS HA 83 GLU HN 4.00 (# 550:10 Unique 3.51, 3.58 A)
&rst
ixpk= 550, nxpk= 10, iat=1314,1334, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 83 GLU HB+ 83 GLU HN 3.00 (# 551:10 Unique 2.02, 2.69 A)
&rst
ixpk= 551, nxpk= 10, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1338,1339,
&end
#
# 82 LYS HD+ 83 GLU HN 5.00 (# 552:10 Unique 1.93, 5.01 A)
&rst
ixpk= 552, nxpk= 10, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1322,1323,
&end
#
# 82 LYS HG+ 83 GLU HN 3.00 (# 553:10 Unique 2.59, 4.27 A)
&rst
ixpk= 553, nxpk= 10, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1319,1320,
&end
#
# 47 ALA HN 46 GLU HN 3.00 (# 554:10 Unique 2.29, 2.42 A)
&rst
ixpk= 554, nxpk= 10, iat= 758, 743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:555 46 GLU HN 5.00 (# 555:10 Single Ambig)
&rst
ixpk= 555, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 713,2061, 677,
&end
#
# 46 GLU HA 46 GLU HN 3.00 (# 556:10 Unique 2.83, 2.86 A)
&rst
ixpk= 556, nxpk= 10, iat= 745, 743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 LYS HA 46 GLU HN 5.00 (# 557:10 Unique 3.47, 3.51 A)
&rst
ixpk= 557, nxpk= 10, iat= 723, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 46 GLU HG- 46 GLU HN 3.00 (# 558:10 Unique 2.01, 2.58 A)
&rst
ixpk= 558, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 750, 751,
&end
#
# 46 GLU HB- 46 GLU HN 3.00 (# 559:10 Unique 2.48, 3.11 A)
&rst
ixpk= 559, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 747, 748,
&end
#
# 0 AMB 10-2:560 0 AMB 10-1:560 3.00 (# 560:10 Double Ambig)
&rst
ixpk= 560, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 747, 748,1184,1185, 725, 726,
igr2= 743,1195,
&end
#
# 0 AMB 10-2:561 0 AMB 10-1:561 3.00 (# 561:10 Double Ambig)
&rst
ixpk= 561, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 731, 732,1281,1282,
igr2= 743,1195,
&end
#
# 45 LYS HN 46 GLU HN 3.00 (# 562:10 Unique 2.12, 2.52 A)
&rst
ixpk= 562, nxpk= 10, iat= 721, 743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 43 LEU HA 46 GLU HN 4.00 (# 563:10 Unique 2.91, 3.30 A)
&rst
ixpk= 563, nxpk= 10, iat= 694, 743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:564 0 AMB 10-1:564 4.00 (# 564:10 Double Ambig)
&rst
ixpk= 564, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 728, 729, 762, 763, 764, 645, 646,
igr2= 743,1195,
&end
#
# 75 ASP HN 74 ASP HN 4.00 (# 565:10 Unique 2.06, 2.55 A)
&rst
ixpk= 565, nxpk= 10, iat=1207,1195, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 ASP HA 74 ASP HN 3.00 (# 566:10 Unique 2.75, 2.82 A)
&rst
ixpk= 566, nxpk= 10, iat=1197,1195, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 72 SER HB- 74 ASP HN 4.00 (# 567:10 Unique 1.96, 2.89 A)
&rst
ixpk= 567, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1173,1174,
&end
#
# 74 ASP HB+ 74 ASP HN 4.00 (# 568:10 Unique 2.06, 2.95 A)
&rst
ixpk= 568, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1199,1200,
&end
#
# 74 ASP HB- 74 ASP HN 3.00 (# 570:10 Unique 2.06, 2.95 A)
&rst
ixpk= 570, nxpk= 10, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1199,1200,
&end
#
# 81 ILE HN 82 LYS HN 3.00 (# 573:10 Unique 2.68, 2.88 A)
&rst
ixpk= 573, nxpk= 10, iat=1293,1312, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 81 ILE HA 82 LYS HN 6.00 (# 576:10 Unique 3.60, 3.63 A)
&rst
ixpk= 576, nxpk= 10, iat=1295,1312, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 ILE QG2 82 LYS HN 4.00 (# 584:10 Unique 2.97, 4.03 A)
&rst
ixpk= 584, nxpk= 10, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1299,1300,1301,
&end
#
# 106 PHE HN 107 GLU HN 3.00 (# 587:10 Unique 1.83, 2.03 A)
&rst
ixpk= 587, nxpk= 10, iat=1663,1683, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 104 ASP HA 107 GLU HN 4.00 (# 588:10 Unique 4.07, 4.35 A)
&rst
ixpk= 588, nxpk= 10, iat=1643,1683, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:589 107 GLU HN 3.00 (# 589:10 Single Ambig)
&rst
ixpk= 589, nxpk= 10, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1629,1685,
&end
#
# 106 PHE HB- 107 GLU HN 4.00 (# 590:10 Unique 2.82, 3.85 A)
&rst
ixpk= 590, nxpk= 10, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1667,1668,
&end
#
# 106 PHE HB+ 107 GLU HN 4.00 (# 591:10 Unique 2.82, 3.85 A)
&rst
ixpk= 591, nxpk= 10, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1667,1668,
&end
#
# 107 GLU HB+ 107 GLU HN 3.00 (# 592:10 Unique 2.70, 3.44 A)
&rst
ixpk= 592, nxpk= 10, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1687,1688,
&end
#
# 0 AMB 10-2:593 107 GLU HN 4.00 (# 593:10 Single Ambig)
&rst
ixpk= 593, nxpk= 10, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1657,1658,1659,1702,1703, 15, 16, 17,
&end
#
# 61 GLN HN 62 LEU HN 3.00 (# 594:10 Unique 1.76, 1.87 A)
&rst
ixpk= 594, nxpk= 10, iat= 989,1006, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 62 LEU HA 62 LEU HN 3.00 (# 595:10 Unique 2.84, 2.90 A)
&rst
ixpk= 595, nxpk= 10, iat=1008,1006, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 61 GLN HA 62 LEU HN 4.00 (# 596:10 Unique 3.38, 3.54 A)
&rst
ixpk= 596, nxpk= 10, iat= 991,1006, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 59 GLN HA 62 LEU HN 5.00 (# 597:10 Unique 3.39, 3.88 A)
&rst
ixpk= 597, nxpk= 10, iat= 962,1006, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 TYR HB- 62 LEU HN 5.00 (# 598:10 Unique 1.93, 3.44 A)
&rst
ixpk= 598, nxpk= 10, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 943, 944,
&end
#
# 61 GLN HG- 62 LEU HN 4.00 (# 599:10 Unique 3.20, 4.85 A)
&rst
ixpk= 599, nxpk= 10, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 996, 997,
&end
#
# 0 AMB 10-2:600 62 LEU HN 3.00 (# 600:10 Single Ambig)
&rst
ixpk= 600, nxpk= 10, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1010,1011, 993, 994,
&end
#
# 62 LEU HB+ 62 LEU HN 3.00 (# 601:10 Unique 2.45, 3.12 A)
&rst
ixpk= 601, nxpk= 10, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1010,1011,
&end
#
# 62 LEU MDY 62 LEU HN 4.00 (# 602:10 Unique 3.09, 5.04 A)
&rst
ixpk= 602, nxpk= 10, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1015,1016,1017,1019,1020,1021,
&end
#
# 60 ASP HN 62 LEU HN 5.00 (# 603:10 Unique 2.09, 2.83 A)
&rst
ixpk= 603, nxpk= 10, iat= 977,1006, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 TYR HB+ 62 LEU HN 5.00 (# 604:10 Unique 1.93, 3.44 A)
&rst
ixpk= 604, nxpk= 10, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 943, 944,
&end
#
# 0 AMB 10-2:605 62 LEU HN 4.00 (# 605:10 Single Ambig)
&rst
ixpk= 605, nxpk= 10, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1015,1016,1017,1019,1020,1021,2292,2293,2294,2296,
2297,2298,
&end
#
# 114 TYR HN 127 GLN HN 4.00 (# 606:10 Unique 2.87, 3.15 A)
&rst
ixpk= 606, nxpk= 10, iat=1788,2018, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:607 0 AMB 10-1:607 6.00 (# 607:10 Double Ambig)
&rst
ixpk= 607, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=2238,2239,1817,1826,1998,
igr2=2243,2018,
&end
#
# 115 TYR HA 127 GLN HN 6.00 (# 608:10 Unique 3.00, 3.30 A)
&rst
ixpk= 608, nxpk= 10, iat=1811,2018, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 127 GLN HA 127 GLN HN 3.00 (# 609:10 Unique 2.82, 2.89 A)
&rst
ixpk= 609, nxpk= 10, iat=2020,2018, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:610 127 GLN HN 3.00 (# 610:10 Single Ambig)
&rst
ixpk= 610, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2002,2003,1792,1793,
&end
#
# 143 VAL HB 142 ARG HN 5.00 (# 611:10 Unique 4.55, 4.80 A)
&rst
ixpk= 611, nxpk= 10, iat=2271,2243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 PHE HD 127 GLN HN 3.00 (# 612:10 Unique 2.01, 3.90 A)
&rst
ixpk= 612, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2006,2014,
&end
#
# 126 PHE HA 127 GLN HN 3.00 (# 613:10 Unique 2.21, 2.35 A)
&rst
ixpk= 613, nxpk= 10, iat=2000,2018, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 126 PHE HB+ 127 GLN HN 5.00 (# 614:10 Unique 2.72, 3.87 A)
&rst
ixpk= 614, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2002,2003,
&end
#
# 127 GLN HB- 127 GLN HN 3.00 (# 615:10 Unique 2.38, 3.05 A)
&rst
ixpk= 615, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2022,2023,
&end
#
# 55 ARG HN 54 PHE HN 3.00 (# 617:10 Unique 2.68, 2.81 A)
&rst
ixpk= 617, nxpk= 10, iat= 881, 861, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 54 PHE HD 54 PHE HN 4.00 (# 619:10 Unique 2.01, 3.91 A)
&rst
ixpk= 619, nxpk= 10, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 869, 877,
&end
#
# 54 PHE HA 54 PHE HN 3.00 (# 620:10 Unique 2.62, 2.73 A)
&rst
ixpk= 620, nxpk= 10, iat= 863, 861, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:622 0 AMB 10-1:622 3.00 (# 622:10 Double Ambig)
&rst
ixpk= 622, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2245,2285, 848,
igr2=2302, 861,
&end
#
# 54 PHE HB- 54 PHE HN 3.00 (# 623:10 Unique 1.91, 2.66 A)
&rst
ixpk= 623, nxpk= 10, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 865, 866,
&end
#
# 51 VAL HA 54 PHE HN 4.00 (# 624:10 Unique 3.12, 3.52 A)
&rst
ixpk= 624, nxpk= 10, iat= 818, 861, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 54 PHE HB+ 54 PHE HN 3.00 (# 625:10 Unique 1.91, 2.66 A)
&rst
ixpk= 625, nxpk= 10, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 865, 866,
&end
#
# 0 AMB 10-2:626 54 PHE HN 3.00 (# 626:10 Single Ambig)
&rst
ixpk= 626, nxpk= 10, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 850, 851, 888, 889,
&end
#
# 53 GLU HB+ 54 PHE HN 3.00 (# 627:10 Unique 2.78, 3.68 A)
&rst
ixpk= 627, nxpk= 10, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 850, 851,
&end
#
# 0 AMB 10-2:628 54 PHE HN 5.00 (# 628:10 Single Ambig)
&rst
ixpk= 628, nxpk= 10, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 885, 886, 909, 910,
&end
#
# 127 GLN HN 114 TYR HN 4.00 (# 632:10 Unique 2.87, 3.15 A)
&rst
ixpk= 632, nxpk= 10, iat=2018,1788, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 114 TYR HA 114 TYR HN 4.00 (# 634:10 Unique 2.90, 2.92 A)
&rst
ixpk= 634, nxpk= 10, iat=1790,1788, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 114 TYR HB- 114 TYR HN 4.00 (# 637:10 Unique 2.60, 3.46 A)
&rst
ixpk= 637, nxpk= 10, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1792,1793,
&end
#
# 114 TYR HB+ 114 TYR HN 4.00 (# 638:10 Unique 2.60, 3.46 A)
&rst
ixpk= 638, nxpk= 10, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1792,1793,
&end
#
# 128 ALA MB 114 TYR HN 5.00 (# 640:10 Unique 3.91, 4.87 A)
&rst
ixpk= 640, nxpk= 10, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2039,2040,2041,
&end
#
# 2 LYS HB- 3 LEU HN 3.00 (# 641:10 Unique 2.01, 3.45 A)
&rst
ixpk= 641, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 25, 26,
&end
#
# 127 GLN HB- 127 GLN HN 3.00 (# 643:10 Unique 2.38, 3.05 A)
&rst
ixpk= 643, nxpk= 10, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2022,2023,
&end
#
# 141 ASN HN 142 ARG HN 3.00 (# 644:10 Unique 2.56, 2.72 A)
&rst
ixpk= 644, nxpk= 10, iat=2229,2243, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 143 VAL HN 142 ARG HN 3.00 (# 645:10 Unique 2.39, 2.72 A)
&rst
ixpk= 645, nxpk= 10, iat=2267,2243, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 141 ASN HA 142 ARG HN 4.00 (# 647:10 Unique 3.39, 3.50 A)
&rst
ixpk= 647, nxpk= 10, iat=2231,2243, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 142 ARG HA 142 ARG HN 3.00 (# 648:10 Unique 2.72, 2.81 A)
&rst
ixpk= 648, nxpk= 10, iat=2245,2243, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 138 LYS HA 142 ARG HN 5.00 (# 649:10 Unique 3.80, 4.47 A)
&rst
ixpk= 649, nxpk= 10, iat=2169,2243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 139 ARG HA 142 ARG HN 4.00 (# 650:10 Unique 3.15, 3.41 A)
&rst
ixpk= 650, nxpk= 10, iat=2191,2243, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:651 0 AMB 10-1:651 5.00 (# 651:10 Double Ambig)
&rst
ixpk= 651, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2253,2254,1985,1986,
igr2=2243,2018,
&end
#
# 141 ASN HB- 142 ARG HN 3.00 (# 652:10 Unique 2.96, 3.74 A)
&rst
ixpk= 652, nxpk= 10, iat= -1,2243, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2233,2234,
&end
#
# 141 ASN HB+ 142 ARG HN 3.00 (# 653:10 Unique 2.96, 3.74 A)
&rst
ixpk= 653, nxpk= 10, iat= -1,2243, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2233,2234,
&end
#
# 0 AMB 10-2:654 0 AMB 10-1:654 3.00 (# 654:10 Double Ambig)
&rst
ixpk= 654, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2247,2248,2022,2023,
igr2=2243,2018,
&end
#
# 142 ARG HG+ 142 ARG HN 3.00 (# 655:10 Unique 3.16, 3.91 A)
&rst
ixpk= 655, nxpk= 10, iat= -1,2243, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2250,2251,
&end
#
# 0 AMB 10-2:656 142 ARG HN 5.00 (# 656:10 Single Ambig)
&rst
ixpk= 656, nxpk= 10, iat= -1,2243, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
&end
#
# 25 GLN HN 26 LEU HN 3.00 (# 659:10 Unique 1.89, 2.18 A)
&rst
ixpk= 659, nxpk= 10, iat= 398, 415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 27 ILE HN 26 LEU HN 3.00 (# 660:10 Unique 1.81, 1.89 A)
&rst
ixpk= 660, nxpk= 10, iat= 434, 415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:661 26 LEU HN 3.00 (# 661:10 Single Ambig)
&rst
ixpk= 661, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 417, 400,
&end
#
# 23 ARG HA 26 LEU HN 5.00 (# 662:10 Unique 2.95, 3.41 A)
&rst
ixpk= 662, nxpk= 10, iat= 361, 415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:663 26 LEU HN 5.00 (# 663:10 Single Ambig)
&rst
ixpk= 663, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 402, 403, 390, 391,
&end
#
# 0 AMB 10-2:664 26 LEU HN 4.00 (# 664:10 Single Ambig)
&rst
ixpk= 664, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 402, 403, 387, 388,
&end
#
# 26 LEU HG 26 LEU HN 3.00 (# 665:10 Unique 1.98, 2.53 A)
&rst
ixpk= 665, nxpk= 10, iat= 422, 415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 26 LEU HB+ 26 LEU HN 3.00 (# 666:10 Unique 2.42, 3.41 A)
&rst
ixpk= 666, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 419, 420,
&end
#
# 0 AMB 10-2:667 26 LEU HN 3.00 (# 667:10 Single Ambig)
&rst
ixpk= 667, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 424, 425, 426, 428, 429, 430, 335, 336, 337, 339,
340, 341,
&end
#
# 26 LEU MDX 26 LEU HN 3.00 (# 668:10 Unique 2.73, 4.44 A)
&rst
ixpk= 668, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 424, 425, 426, 428, 429, 430,
&end
#
# 2 LYS HA 3 LEU HN 3.00 (# 672:10 Unique 2.18, 2.36 A)
&rst
ixpk= 672, nxpk= 10, iat= 23, 43, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 3 LEU HA 3 LEU HN 4.00 (# 673:10 Unique 2.48, 2.66 A)
&rst
ixpk= 673, nxpk= 10, iat= 45, 43, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:674 3 LEU HN 3.00 (# 674:10 Single Ambig)
&rst
ixpk= 674, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 50, 47, 48,
&end
#
# 3 LEU HB- 3 LEU HN 3.00 (# 675:10 Unique 2.59, 3.17 A)
&rst
ixpk= 675, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 47, 48,
&end
#
# 3 LEU MDX 3 LEU HN 4.00 (# 676:10 Unique 2.09, 3.97 A)
&rst
ixpk= 676, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 3 LEU MDY 3 LEU HN 3.00 (# 677:10 Unique 2.09, 3.97 A)
&rst
ixpk= 677, nxpk= 10, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 25 GLN HE2+ 26 LEU HN 5.00 (# 678:10 Unique 5.81, 7.21 A)
&rst
ixpk= 678, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 410, 411,
&end
#
# 53 GLU HN 52 ASN HN 3.00 (# 680:10 Unique 2.05, 2.35 A)
&rst
ixpk= 680, nxpk= 10, iat= 846, 832, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 VAL HN 52 ASN HN 3.00 (# 681:10 Unique 2.64, 2.80 A)
&rst
ixpk= 681, nxpk= 10, iat= 816, 832, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 48 MET HA 52 ASN HN 4.00 (# 682:10 Unique 3.82, 4.26 A)
&rst
ixpk= 682, nxpk= 10, iat= 770, 832, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 51 VAL HA 52 ASN HN 4.00 (# 683:10 Unique 3.36, 3.48 A)
&rst
ixpk= 683, nxpk= 10, iat= 818, 832, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 52 ASN HB+ 52 ASN HN 3.00 (# 684:10 Unique 2.04, 2.82 A)
&rst
ixpk= 684, nxpk= 10, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 836, 837,
&end
#
# 51 VAL HB 52 ASN HN 3.00 (# 685:10 Unique 2.86, 3.26 A)
&rst
ixpk= 685, nxpk= 10, iat= 820, 832, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 VAL MGY 52 ASN HN 4.00 (# 686:10 Unique 2.45, 4.81 A)
&rst
ixpk= 686, nxpk= 10, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 51 VAL MGX 52 ASN HN 4.00 (# 687:10 Unique 2.45, 4.81 A)
&rst
ixpk= 687, nxpk= 10, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 52 ASN HD2+ 52 ASN HN 4.00 (# 688:10 Unique 1.83, 3.55 A)
&rst
ixpk= 688, nxpk= 10, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 841, 842,
&end
#
# 0 AMB 10-2:689 0 AMB 10-1:689 4.00 (# 689:10 Double Ambig)
&rst
ixpk= 689, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 799,1398,
igr2= 832,1427,
&end
#
# 0 AMB 10-2:690 0 AMB 10-1:690 3.00 (# 690:10 Double Ambig)
&rst
ixpk= 690, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 834,1417,1375,
igr2= 832,1427,
&end
#
# 0 AMB 10-2:694 0 AMB 10-1:694 6.00 (# 694:10 Double Ambig)
&rst
ixpk= 694, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,1504,1505,1506,
igr2=1866,1427,
&end
#
# 89 ASP HN 90 ILE HN 3.00 (# 695:10 Unique 1.72, 1.88 A)
&rst
ixpk= 695, nxpk= 10, iat=1415,1427, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 90 ILE HA 90 ILE HN 3.00 (# 696:10 Unique 2.26, 2.64 A)
&rst
ixpk= 696, nxpk= 10, iat=1429,1427, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 90 ILE HB 90 ILE HN 3.00 (# 697:10 Unique 2.31, 3.44 A)
&rst
ixpk= 697, nxpk= 10, iat=1431,1427, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:698 90 ILE HN 3.00 (# 698:10 Single Ambig)
&rst
ixpk= 698, nxpk= 10, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1437,1438, 779, 780, 781,
&end
#
# 90 ILE QG2 90 ILE HN 6.00 (# 699:10 Unique 2.14, 3.45 A)
&rst
ixpk= 699, nxpk= 10, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1433,1434,1435,
&end
#
# 90 ILE QD1 90 ILE HN 4.00 (# 700:10 Unique 2.00, 3.99 A)
&rst
ixpk= 700, nxpk= 10, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1440,1441,1442,
&end
#
# 55 ARG HA 55 ARG HN 4.00 (# 701:10 Unique 2.74, 2.82 A)
&rst
ixpk= 701, nxpk= 10, iat= 883, 881, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:702 0 AMB 10-1:702 5.00 (# 702:10 Double Ambig)
&rst
ixpk= 702, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 909, 910,2107,2108, 930, 931, 943, 944,
igr2= 881,2152,
&end
#
# 0 AMB 10-2:703 0 AMB 10-1:703 4.00 (# 703:10 Double Ambig)
&rst
ixpk= 703, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 885, 886,2177,2178,
igr2= 881,2152,
&end
#
# 56 ASP HN 55 ARG HN 4.00 (# 704:10 Unique 2.34, 2.65 A)
&rst
ixpk= 704, nxpk= 10, iat= 905, 881, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 54 PHE HN 55 ARG HN 3.00 (# 705:10 Unique 2.68, 2.81 A)
&rst
ixpk= 705, nxpk= 10, iat= 861, 881, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 54 PHE HB+ 55 ARG HN 5.00 (# 706:10 Unique 2.69, 3.54 A)
&rst
ixpk= 706, nxpk= 10, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 865, 866,
&end
#
# 55 ARG HB- 55 ARG HN 4.00 (# 707:10 Unique 2.06, 2.64 A)
&rst
ixpk= 707, nxpk= 10, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 885, 886,
&end
#
# 0 AMB 10-2:708 0 AMB 10-1:708 4.00 (# 708:10 Double Ambig)
&rst
ixpk= 708, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2079, 863,
igr2=2152, 881,
&end
#
# 52 ASN HA 55 ARG HN 4.00 (# 709:10 Unique 4.00, 4.24 A)
&rst
ixpk= 709, nxpk= 10, iat= 834, 881, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:710 0 AMB 10-1:710 6.00 (# 710:10 Double Ambig)
&rst
ixpk= 710, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 848,2118,
igr2= 881,2152,
&end
#
# 136 LEU MDY 137 GLU HN 6.00 (# 711:10 Unique 2.66, 5.23 A)
&rst
ixpk= 711, nxpk= 10, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2142,2143,2144,2146,2147,2148,
&end
#
# 138 LYS HN 137 GLU HN 3.00 (# 712:10 Unique 2.71, 2.84 A)
&rst
ixpk= 712, nxpk= 10, iat=2167,2152, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 136 LEU HN 137 GLU HN 3.00 (# 713:10 Unique 2.03, 2.38 A)
&rst
ixpk= 713, nxpk= 10, iat=2133,2152, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 54 PHE HD 0 AMB 10-1:714 5.00 (# 714:10 Single Ambig)
&rst
ixpk= 714, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 869, 877,
igr2=2152, 881,
&end
#
# 136 LEU HA 137 GLU HN 5.00 (# 716:10 Unique 3.50, 3.60 A)
&rst
ixpk= 716, nxpk= 10, iat=2135,2152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 137 GLU HA 137 GLU HN 3.00 (# 717:10 Unique 2.66, 2.69 A)
&rst
ixpk= 717, nxpk= 10, iat=2154,2152, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:718 0 AMB 10-1:718 3.00 (# 718:10 Double Ambig)
&rst
ixpk= 718, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 888, 889,2159,2160,2156,2157,
igr2= 881,2152,
&end
#
# 136 LEU HB- 137 GLU HN 3.00 (# 719:10 Unique 2.40, 3.26 A)
&rst
ixpk= 719, nxpk= 10, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2137,2138,
&end
#
# 0 AMB 10-2:720 137 GLU HN 3.00 (# 720:10 Single Ambig)
&rst
ixpk= 720, nxpk= 10, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2137,2138,2140,
&end
#
# 140 VAL HN 139 ARG HN 3.00 (# 721:10 Unique 2.53, 2.66 A)
&rst
ixpk= 721, nxpk= 10, iat=2213,2189, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 138 LYS HN 139 ARG HN 3.00 (# 722:10 Unique 2.10, 2.24 A)
&rst
ixpk= 722, nxpk= 10, iat=2167,2189, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 138 LYS HA 139 ARG HN 4.00 (# 723:10 Unique 3.56, 3.58 A)
&rst
ixpk= 723, nxpk= 10, iat=2169,2189, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 139 ARG HA 139 ARG HN 3.00 (# 724:10 Unique 2.68, 2.75 A)
&rst
ixpk= 724, nxpk= 10, iat=2191,2189, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 136 LEU HA 139 ARG HN 5.00 (# 725:10 Unique 2.55, 2.76 A)
&rst
ixpk= 725, nxpk= 10, iat=2135,2189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 138 LYS HB- 139 ARG HN 3.00 (# 726:10 Unique 2.75, 3.69 A)
&rst
ixpk= 726, nxpk= 10, iat= -1,2189, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2171,2172,
&end
#
# 139 ARG HB- 139 ARG HN 3.00 (# 727:10 Unique 2.03, 2.79 A)
&rst
ixpk= 727, nxpk= 10, iat= -1,2189, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2193,2194,
&end
#
# 139 ARG HB+ 139 ARG HN 3.00 (# 728:10 Unique 2.03, 2.79 A)
&rst
ixpk= 728, nxpk= 10, iat= -1,2189, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2193,2194,
&end
#
# 139 ARG HG- 139 ARG HN 4.00 (# 729:10 Unique 1.98, 3.45 A)
&rst
ixpk= 729, nxpk= 10, iat= -1,2189, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2196,2197,
&end
#
# 90 ILE HN 89 ASP HN 3.00 (# 730:10 Unique 1.72, 1.88 A)
&rst
ixpk= 730, nxpk= 10, iat=1427,1415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 88 HIS HN 89 ASP HN 3.00 (# 734:10 Unique 2.35, 2.87 A)
&rst
ixpk= 734, nxpk= 10, iat=1398,1415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:735 89 ASP HN 4.00 (# 735:10 Single Ambig)
&rst
ixpk= 735, nxpk= 10, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1400, 770,
&end
#
# 0 AMB 10-2:736 89 ASP HN 3.00 (# 736:10 Single Ambig)
&rst
ixpk= 736, nxpk= 10, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1417,1375,
&end
#
# 87 GLU HA 89 ASP HN 4.00 (# 737:10 Unique 4.73, 5.02 A)
&rst
ixpk= 737, nxpk= 10, iat=1385,1415, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 89 ASP HB+ 89 ASP HN 3.00 (# 738:10 Unique 3.00, 3.57 A)
&rst
ixpk= 738, nxpk= 10, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1419,1420,
&end
#
# 0 AMB 10-2:739 89 ASP HN 6.00 (# 739:10 Single Ambig)
&rst
ixpk= 739, nxpk= 10, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1377,1378,1379, 281, 278, 279, 728, 729,
&end
#
# 138 LYS HD+ 138 LYS HN 4.00 (# 742:10 Unique 1.84, 2.29 A)
&rst
ixpk= 742, nxpk= 10, iat= -1,2167, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2177,2178,
&end
#
# 137 GLU HN 138 LYS HN 3.00 (# 743:10 Unique 2.71, 2.84 A)
&rst
ixpk= 743, nxpk= 10, iat=2152,2167, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 139 ARG HN 138 LYS HN 3.00 (# 744:10 Unique 2.10, 2.24 A)
&rst
ixpk= 744, nxpk= 10, iat=2189,2167, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 135 MET HA 138 LYS HN 4.00 (# 746:10 Unique 3.58, 3.93 A)
&rst
ixpk= 746, nxpk= 10, iat=2118,2167, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 138 LYS HA 138 LYS HN 3.00 (# 747:10 Unique 2.85, 2.90 A)
&rst
ixpk= 747, nxpk= 10, iat=2169,2167, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 137 GLU HA 138 LYS HN 4.00 (# 748:10 Unique 3.47, 3.52 A)
&rst
ixpk= 748, nxpk= 10, iat=2154,2167, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 137 GLU HG+ 138 LYS HN 4.00 (# 749:10 Unique 1.92, 4.66 A)
&rst
ixpk= 749, nxpk= 10, iat= -1,2167, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2159,2160,
&end
#
# 138 LYS HB- 138 LYS HN 3.00 (# 750:10 Unique 2.88, 3.29 A)
&rst
ixpk= 750, nxpk= 10, iat= -1,2167, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2171,2172,
&end
#
# 138 LYS HB+ 138 LYS HN 3.00 (# 751:10 Unique 2.88, 3.29 A)
&rst
ixpk= 751, nxpk= 10, iat= -1,2167, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2171,2172,
&end
#
# 138 LYS HG+ 138 LYS HN 3.00 (# 752:10 Unique 1.83, 2.64 A)
&rst
ixpk= 752, nxpk= 10, iat= -1,2167, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2174,2175,
&end
#
# 138 LYS HG- 138 LYS HN 4.00 (# 753:10 Unique 1.83, 2.64 A)
&rst
ixpk= 753, nxpk= 10, iat= -1,2167, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2174,2175,
&end
#
# 120 THR HN 119 LYS HN 5.00 (# 757:10 Unique 2.68, 2.85 A)
&rst
ixpk= 757, nxpk= 10, iat=1900,1878, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 ASP HA 119 LYS HN 3.00 (# 759:10 Unique 2.48, 2.53 A)
&rst
ixpk= 759, nxpk= 10, iat=1868,1878, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 119 LYS HA 119 LYS HN 4.00 (# 760:10 Unique 2.75, 2.80 A)
&rst
ixpk= 760, nxpk= 10, iat=1880,1878, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 118 ASP HB- 119 LYS HN 3.00 (# 761:10 Unique 2.28, 3.23 A)
&rst
ixpk= 761, nxpk= 10, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1870,1871,
&end
#
# 118 ASP HB+ 119 LYS HN 4.00 (# 762:10 Unique 2.28, 3.23 A)
&rst
ixpk= 762, nxpk= 10, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1870,1871,
&end
#
# 0 AMB 10-2:763 119 LYS HN 5.00 (# 763:10 Single Ambig)
&rst
ixpk= 763, nxpk= 10, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 501, 502,2345,2346,
&end
#
# 119 LYS HB- 119 LYS HN 4.00 (# 764:10 Unique 2.06, 2.96 A)
&rst
ixpk= 764, nxpk= 10, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1882,1883,
&end
#
# 119 LYS HD- 119 LYS HN 4.00 (# 765:10 Unique 3.00, 4.59 A)
&rst
ixpk= 765, nxpk= 10, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1888,1889,
&end
#
# 119 LYS HG+ 119 LYS HN 4.00 (# 766:10 Unique 1.94, 2.79 A)
&rst
ixpk= 766, nxpk= 10, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1885,1886,
&end
#
# 119 LYS HB+ 119 LYS HN 4.00 (# 767:10 Unique 2.06, 2.96 A)
&rst
ixpk= 767, nxpk= 10, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1882,1883,
&end
#
# 119 LYS HG- 119 LYS HN 4.00 (# 768:10 Unique 1.94, 2.79 A)
&rst
ixpk= 768, nxpk= 10, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1885,1886,
&end
#
# 0 AMB 10-2:769 119 LYS HN 4.00 (# 769:10 Single Ambig)
&rst
ixpk= 769, nxpk= 10, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
&end
#
# 122 GLN HN 118 ASP HN 5.00 (# 770:10 Unique 2.44, 2.73 A)
&rst
ixpk= 770, nxpk= 10, iat=1921,1866, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 PHE HD 118 ASP HN 5.00 (# 771:10 Unique 4.20, 5.21 A)
&rst
ixpk= 771, nxpk= 10, iat= -1,1866, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1854,1862,
&end
#
# 117 PHE HA 118 ASP HN 3.00 (# 772:10 Unique 2.20, 2.25 A)
&rst
ixpk= 772, nxpk= 10, iat=1848,1866, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 118 ASP HA 118 ASP HN 4.00 (# 773:10 Unique 2.72, 2.76 A)
&rst
ixpk= 773, nxpk= 10, iat=1868,1866, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 118 ASP HB- 118 ASP HN 4.00 (# 774:10 Unique 2.03, 2.86 A)
&rst
ixpk= 774, nxpk= 10, iat= -1,1866, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1870,1871,
&end
#
# 0 AMB 10-2:775 118 ASP HN 4.00 (# 775:10 Single Ambig)
&rst
ixpk= 775, nxpk= 10, iat= -1,1866, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1967,1968,1850,1851,
&end
#
# 117 PHE HB+ 118 ASP HN 4.00 (# 776:10 Unique 2.85, 3.66 A)
&rst
ixpk= 776, nxpk= 10, iat= -1,1866, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1850,1851,
&end
#
# 124 ARG HG+ 118 ASP HN 4.00 (# 777:10 Unique 2.39, 3.83 A)
&rst
ixpk= 777, nxpk= 10, iat= -1,1866, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1964,1965,
&end
#
# 90 ILE HG1+ 90 ILE HN 4.00 (# 779:10 Unique 1.79, 2.54 A)
&rst
ixpk= 779, nxpk= 10, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1437,1438,
&end
#
# 139 ARG HD- 139 ARG HN 4.00 (# 780:10 Unique 2.70, 4.59 A)
&rst
ixpk= 780, nxpk= 10, iat= -1,2189, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2199,2200,
&end
#
# 64 VAL MGY 92 GLN HE2- 6.00 (# 782:10 Unique 1.86, 4.65 A)
&rst
ixpk= 782, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1045,1046,1047,1049,1050,1051,
igr2=1472,1473,
&end
#
# 0 AMB 10-2:783 27 ILE HN 4.00 (# 783:10 Single Ambig)
&rst
ixpk= 783, nxpk= 10, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 417, 400,
&end
#
# 36 PHE HN 113 ALA HN 5.00 (# 784:10 Unique 2.21, 2.57 A)
&rst
ixpk= 784, nxpk= 10, iat= 580,1778, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 TYR HD 113 ALA HN 4.00 (# 785:10 Unique 3.57, 5.63 A)
&rst
ixpk= 785, nxpk= 10, iat= -1,1778, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1796,1805,
&end
#
# 111 VAL HA 113 ALA HN 4.00 (# 787:10 Unique 2.64, 2.97 A)
&rst
ixpk= 787, nxpk= 10, iat=1750,1778, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 36 PHE HB- 113 ALA HN 6.00 (# 788:10 Unique 2.69, 3.38 A)
&rst
ixpk= 788, nxpk= 10, iat= -1,1778, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 584, 585,
&end
#
# 36 PHE HB+ 113 ALA HN 5.00 (# 789:10 Unique 2.69, 3.38 A)
&rst
ixpk= 789, nxpk= 10, iat= -1,1778, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 584, 585,
&end
#
# 112 PRO HB- 113 ALA HN 4.00 (# 790:10 Unique 2.63, 3.21 A)
&rst
ixpk= 790, nxpk= 10, iat= -1,1778, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1771,1772,
&end
#
# 0 AMB 10-2:791 113 ALA HN 4.00 (# 791:10 Single Ambig)
&rst
ixpk= 791, nxpk= 10, iat= -1,1778, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1771,1772,1752,
&end
#
# 113 ALA MB 113 ALA HN 3.00 (# 792:10 Unique 2.65, 3.47 A)
&rst
ixpk= 792, nxpk= 10, iat= -1,1778, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1782,1783,1784,
&end
#
# 111 VAL MGX 113 ALA HN 4.00 (# 793:10 Unique 3.42, 5.39 A)
&rst
ixpk= 793, nxpk= 10, iat= -1,1778, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1754,1755,1756,1758,1759,1760,
&end
#
# 26 LEU HA 63 ASN HD2+ 5.00 (# 794:10 Unique 3.54, 4.26 A)
&rst
ixpk= 794, nxpk= 10, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1034,1035,
&end
#
# 63 ASN HB- 63 ASN HD2+ 4.00 (# 795:10 Unique 2.10, 3.26 A)
&rst
ixpk= 795, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1029,1030,
igr2=1034,1035,
&end
#
# 30 LYS HB- 63 ASN HD2+ 5.00 (# 796:10 Unique 2.59, 4.07 A)
&rst
ixpk= 796, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 479, 480,
igr2=1034,1035,
&end
#
# 26 LEU MDX 63 ASN HD2+ 4.00 (# 797:10 Unique 1.93, 5.96 A)
&rst
ixpk= 797, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 424, 425, 426, 428, 429, 430,
igr2=1034,1035,
&end
#
# 108 ASN HD2+ 110 TYR HN 5.00 (# 800:10 Unique 2.52, 4.06 A)
&rst
ixpk= 800, nxpk= 10, iat= -1,1727, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1707,1708,
&end
#
# 0 AMB 10-2:801 110 TYR HN 4.00 (# 801:10 Single Ambig)
&rst
ixpk= 801, nxpk= 10, iat= -1,1727, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1702,1703,1719,1720,
&end
#
# 109 GLU HB- 110 TYR HN 4.00 (# 802:10 Unique 2.46, 4.06 A)
&rst
ixpk= 802, nxpk= 10, iat= -1,1727, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1716,1717,
&end
#
# 147 THR HN 146 GLU HN 3.00 (# 804:10 Unique 1.84, 2.16 A)
&rst
ixpk= 804, nxpk= 10, iat=2327,2312, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 147 THR HA 146 GLU HN 6.00 (# 807:10 Unique 4.48, 4.65 A)
&rst
ixpk= 807, nxpk= 10, iat=2329,2312, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:808 146 GLU HN 3.00 (# 808:10 Single Ambig)
&rst
ixpk= 808, nxpk= 10, iat= -1,2312, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2314,2304,
&end
#
# 0 AMB 10-2:809 146 GLU HN 4.00 (# 809:10 Single Ambig)
&rst
ixpk= 809, nxpk= 10, iat= -1,2312, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2285,2245,
&end
#
# 143 VAL HA 146 GLU HN 5.00 (# 810:10 Unique 3.34, 3.58 A)
&rst
ixpk= 810, nxpk= 10, iat=2269,2312, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 146 GLU HG- 146 GLU HN 3.00 (# 811:10 Unique 2.04, 3.28 A)
&rst
ixpk= 811, nxpk= 10, iat= -1,2312, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2319,2320,
&end
#
# 146 GLU HG+ 146 GLU HN 3.00 (# 812:10 Unique 2.04, 3.28 A)
&rst
ixpk= 812, nxpk= 10, iat= -1,2312, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2319,2320,
&end
#
# 146 GLU HB- 146 GLU HN 3.00 (# 813:10 Unique 2.23, 3.16 A)
&rst
ixpk= 813, nxpk= 10, iat= -1,2312, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2316,2317,
&end
#
# 145 ALA MB 146 GLU HN 3.00 (# 814:10 Unique 3.43, 4.24 A)
&rst
ixpk= 814, nxpk= 10, iat= -1,2312, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2306,2307,2308,
&end
#
# 26 LEU HN 27 ILE HN 3.00 (# 816:10 Unique 1.81, 1.89 A)
&rst
ixpk= 816, nxpk= 10, iat= 415, 434, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 GLN HN 27 ILE HN 4.00 (# 817:10 Unique 3.53, 3.72 A)
&rst
ixpk= 817, nxpk= 10, iat= 398, 434, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 ILE HA 27 ILE HN 3.00 (# 818:10 Unique 2.80, 2.86 A)
&rst
ixpk= 818, nxpk= 10, iat= 436, 434, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 GLU HA 27 ILE HN 5.00 (# 819:10 Unique 3.54, 3.86 A)
&rst
ixpk= 819, nxpk= 10, iat= 385, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 LEU HG 27 ILE HN 4.00 (# 820:10 Unique 2.50, 3.57 A)
&rst
ixpk= 820, nxpk= 10, iat= 422, 434, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:821 27 ILE HN 3.00 (# 821:10 Single Ambig)
&rst
ixpk= 821, nxpk= 10, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 438, 419, 420,
&end
#
# 27 ILE HG1- 27 ILE HN 3.00 (# 822:10 Unique 1.82, 2.57 A)
&rst
ixpk= 822, nxpk= 10, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 444, 445,
&end
#
# 27 ILE HG1+ 27 ILE HN 3.00 (# 823:10 Unique 1.82, 2.57 A)
&rst
ixpk= 823, nxpk= 10, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 444, 445,
&end
#
# 27 ILE QG2 27 ILE HN 4.00 (# 824:10 Unique 4.07, 4.49 A)
&rst
ixpk= 824, nxpk= 10, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 440, 441, 442,
&end
#
# 26 LEU MDY 27 ILE HN 3.00 (# 825:10 Unique 2.06, 5.15 A)
&rst
ixpk= 825, nxpk= 10, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 424, 425, 426, 428, 429, 430,
&end
#
# 140 VAL HN 141 ASN HN 3.00 (# 826:10 Unique 2.64, 2.87 A)
&rst
ixpk= 826, nxpk= 10, iat=2213,2229, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 142 ARG HN 141 ASN HN 3.00 (# 827:10 Unique 2.56, 2.72 A)
&rst
ixpk= 827, nxpk= 10, iat=2243,2229, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 141 ASN HD2+ 141 ASN HN 5.00 (# 828:10 Unique 1.85, 3.26 A)
&rst
ixpk= 828, nxpk= 10, iat= -1,2229, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2238,2239,
&end
#
# 141 ASN HD2- 141 ASN HN 6.00 (# 829:10 Unique 1.85, 3.26 A)
&rst
ixpk= 829, nxpk= 10, iat= -1,2229, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2238,2239,
&end
#
# 141 ASN HA 141 ASN HN 3.00 (# 830:10 Unique 2.62, 2.71 A)
&rst
ixpk= 830, nxpk= 10, iat=2231,2229, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 138 LYS HA 141 ASN HN 4.00 (# 831:10 Unique 3.36, 3.57 A)
&rst
ixpk= 831, nxpk= 10, iat=2169,2229, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 137 GLU HA 141 ASN HN 4.00 (# 832:10 Unique 4.52, 4.93 A)
&rst
ixpk= 832, nxpk= 10, iat=2154,2229, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 140 VAL HA 141 ASN HN 4.00 (# 833:10 Unique 3.62, 3.64 A)
&rst
ixpk= 833, nxpk= 10, iat=2215,2229, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 141 ASN HB- 141 ASN HN 3.00 (# 834:10 Unique 2.24, 3.04 A)
&rst
ixpk= 834, nxpk= 10, iat= -1,2229, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2233,2234,
&end
#
# 141 ASN HB+ 141 ASN HN 3.00 (# 835:10 Unique 2.24, 3.04 A)
&rst
ixpk= 835, nxpk= 10, iat= -1,2229, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2233,2234,
&end
#
# 0 AMB 10-2:836 141 ASN HN 5.00 (# 836:10 Single Ambig)
&rst
ixpk= 836, nxpk= 10, iat= -1,2229, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2271,2156,2157,
&end
#
# 140 VAL HB 141 ASN HN 3.00 (# 837:10 Unique 2.01, 2.44 A)
&rst
ixpk= 837, nxpk= 10, iat=2217,2229, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 140 VAL MGX 141 ASN HN 4.00 (# 838:10 Unique 1.84, 4.07 A)
&rst
ixpk= 838, nxpk= 10, iat= -1,2229, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2219,2220,2221,2223,2224,2225,
&end
#
# 140 VAL MGY 141 ASN HN 4.00 (# 839:10 Unique 1.84, 4.07 A)
&rst
ixpk= 839, nxpk= 10, iat= -1,2229, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2219,2220,2221,2223,2224,2225,
&end
#
# 85 ALA HN 84 THR HN 3.00 (# 840:10 Unique 2.57, 2.79 A)
&rst
ixpk= 840, nxpk= 10, iat=1363,1349, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 80 LYS HA 84 THR HN 5.00 (# 841:10 Unique 3.16, 3.54 A)
&rst
ixpk= 841, nxpk= 10, iat=1273,1349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 81 ILE HA 84 THR HN 5.00 (# 842:10 Unique 2.74, 3.22 A)
&rst
ixpk= 842, nxpk= 10, iat=1295,1349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 GLU HN 84 THR HN 3.00 (# 843:10 Unique 2.10, 2.46 A)
&rst
ixpk= 843, nxpk= 10, iat=1334,1349, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 84 THR HB 84 THR HN 3.00 (# 845:10 Unique 2.02, 2.09 A)
&rst
ixpk= 845, nxpk= 10, iat=1353,1349, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 84 THR HA 84 THR HN 3.00 (# 846:10 Unique 2.73, 2.79 A)
&rst
ixpk= 846, nxpk= 10, iat=1351,1349, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 83 GLU HA 84 THR HN 4.00 (# 847:10 Unique 3.58, 3.62 A)
&rst
ixpk= 847, nxpk= 10, iat=1336,1349, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 83 GLU HB- 84 THR HN 3.00 (# 848:10 Unique 2.47, 2.99 A)
&rst
ixpk= 848, nxpk= 10, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1338,1339,
&end
#
# 0 AMB 10-2:849 84 THR HN 3.00 (# 849:10 Single Ambig)
&rst
ixpk= 849, nxpk= 10, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1278,1279,1355,1356,1357,1319,1320,
&end
#
# 39 ILE QG2 84 THR HN 5.00 (# 850:10 Unique 4.67, 5.89 A)
&rst
ixpk= 850, nxpk= 10, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 641, 642, 643,
&end
#
# 109 GLU HN 110 TYR HN 3.00 (# 852:10 Unique 1.62, 2.12 A)
&rst
ixpk= 852, nxpk= 10, iat=1712,1727, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 108 ASN HD2- 110 TYR HN 4.00 (# 853:10 Unique 2.52, 4.06 A)
&rst
ixpk= 853, nxpk= 10, iat= -1,1727, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1707,1708,
&end
#
# 110 TYR HD 110 TYR HN 3.00 (# 854:10 Unique 1.75, 3.43 A)
&rst
ixpk= 854, nxpk= 10, iat= -1,1727, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1735,1744,
&end
#
# 110 TYR HA 110 TYR HN 3.00 (# 855:10 Unique 2.77, 2.87 A)
&rst
ixpk= 855, nxpk= 10, iat=1729,1727, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 108 ASN HA 110 TYR HN 4.00 (# 856:10 Unique 3.20, 3.57 A)
&rst
ixpk= 856, nxpk= 10, iat=1700,1727, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 109 GLU HA 110 TYR HN 4.00 (# 857:10 Unique 2.64, 3.14 A)
&rst
ixpk= 857, nxpk= 10, iat=1714,1727, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 TYR HB- 110 TYR HN 3.00 (# 858:10 Unique 2.48, 3.41 A)
&rst
ixpk= 858, nxpk= 10, iat= -1,1727, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1731,1732,
&end
#
# 110 TYR HB+ 110 TYR HN 3.00 (# 859:10 Unique 2.48, 3.41 A)
&rst
ixpk= 859, nxpk= 10, iat= -1,1727, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1731,1732,
&end
#
# 61 GLN HN 60 ASP HN 4.00 (# 862:10 Unique 1.70, 1.95 A)
&rst
ixpk= 862, nxpk= 10, iat= 989, 977, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 59 GLN HN 60 ASP HN 5.00 (# 863:10 Unique 2.53, 3.46 A)
&rst
ixpk= 863, nxpk= 10, iat= 960, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 ASP HA 60 ASP HN 3.00 (# 864:10 Unique 2.61, 2.74 A)
&rst
ixpk= 864, nxpk= 10, iat= 979, 977, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 59 GLN HA 60 ASP HN 4.00 (# 865:10 Unique 2.45, 2.78 A)
&rst
ixpk= 865, nxpk= 10, iat= 962, 977, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:866 60 ASP HN 3.00 (# 866:10 Single Ambig)
&rst
ixpk= 866, nxpk= 10, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 981, 982, 981, 982,
&end
#
# 59 GLN HG+ 60 ASP HN 6.00 (# 867:10 Unique 4.19, 5.20 A)
&rst
ixpk= 867, nxpk= 10, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 967, 968,
&end
#
# 0 AMB 10-2:868 60 ASP HN 3.00 (# 868:10 Single Ambig)
&rst
ixpk= 868, nxpk= 10, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 964, 965, 996, 997, 967, 968,
&end
#
# 59 GLN HB- 60 ASP HN 4.00 (# 869:10 Unique 3.22, 4.30 A)
&rst
ixpk= 869, nxpk= 10, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 964, 965,
&end
#
# 100 HIS HN 99 ASP HN 5.00 (# 870:10 Unique 2.01, 2.28 A)
&rst
ixpk= 870, nxpk= 10, iat=1581,1569, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 142 ARG HN 143 VAL HN 3.00 (# 872:10 Unique 2.39, 2.72 A)
&rst
ixpk= 872, nxpk= 10, iat=2243,2267, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:873 0 AMB 10-1:873 4.00 (# 873:10 Double Ambig)
&rst
ixpk= 873, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1173,1174,2269,
igr2=1207,2267,
&end
#
# 74 ASP HN 75 ASP HN 3.00 (# 874:10 Unique 2.06, 2.55 A)
&rst
ixpk= 874, nxpk= 10, iat=1195,1207, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 141 ASN HA 143 VAL HN 6.00 (# 875:10 Unique 4.53, 4.96 A)
&rst
ixpk= 875, nxpk= 10, iat=2231,2267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 72 SER HB- 75 ASP HN 3.00 (# 876:10 Unique 2.43, 3.49 A)
&rst
ixpk= 876, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1173,1174,
&end
#
# 140 VAL HA 143 VAL HN 4.00 (# 877:10 Unique 3.28, 3.55 A)
&rst
ixpk= 877, nxpk= 10, iat=2215,2267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 143 VAL HB 143 VAL HN 3.00 (# 878:10 Unique 2.07, 2.29 A)
&rst
ixpk= 878, nxpk= 10, iat=2271,2267, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 142 ARG HB+ 143 VAL HN 3.00 (# 879:10 Unique 2.20, 2.79 A)
&rst
ixpk= 879, nxpk= 10, iat= -1,2267, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2247,2248,
&end
#
# 0 AMB 10-2:880 143 VAL HN 3.00 (# 880:10 Single Ambig)
&rst
ixpk= 880, nxpk= 10, iat= -1,2267, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
&end
#
# 0 AMB 10-2:881 0 AMB 10-1:881 5.00 (# 881:10 Double Ambig)
&rst
ixpk= 881, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1836,1837,1838,1840,1841,1842, 648, 649, 650,
igr2=2267,1207,
&end
#
# 0 AMB 10-2:882 75 ASP HN 3.00 (# 882:10 Single Ambig)
&rst
ixpk= 882, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1281,1282,1149,1150,1226,
&end
#
# 0 AMB 10-2:883 75 ASP HN 4.00 (# 883:10 Single Ambig)
&rst
ixpk= 883, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 645, 646,1223,1224,
&end
#
# 71 ARG HN 75 ASP HN 6.00 (# 884:10 Unique 4.32, 4.75 A)
&rst
ixpk= 884, nxpk= 10, iat=1145,1207, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 72 SER HN 75 ASP HN 4.00 (# 885:10 Unique 2.59, 3.20 A)
&rst
ixpk= 885, nxpk= 10, iat=1169,1207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 LEU HN 75 ASP HN 3.00 (# 887:10 Unique 2.49, 2.70 A)
&rst
ixpk= 887, nxpk= 10, iat=1219,1207, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 74 ASP HA 75 ASP HN 3.00 (# 890:10 Unique 3.57, 3.64 A)
&rst
ixpk= 890, nxpk= 10, iat=1197,1207, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 75 ASP HB+ 75 ASP HN 3.00 (# 891:10 Unique 2.19, 3.03 A)
&rst
ixpk= 891, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1211,1212,
&end
#
# 75 ASP HB- 75 ASP HN 3.00 (# 892:10 Unique 2.19, 3.03 A)
&rst
ixpk= 892, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1211,1212,
&end
#
# 74 ASP HB+ 75 ASP HN 4.00 (# 893:10 Unique 2.07, 2.87 A)
&rst
ixpk= 893, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1199,1200,
&end
#
# 74 ASP HB- 75 ASP HN 4.00 (# 894:10 Unique 2.07, 2.87 A)
&rst
ixpk= 894, nxpk= 10, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1199,1200,
&end
#
# 0 AMB 10-2:895 0 AMB 10-1:895 5.00 (# 895:10 Double Ambig)
&rst
ixpk= 895, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1223,1224,2287,2288,
igr2=1207,2267,
&end
#
# 0 AMB 10-2:896 0 AMB 10-1:896 4.00 (# 896:10 Double Ambig)
&rst
ixpk= 896, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1836,1837,1838,1840,1841,1842,1228,1229,1230,1232,
1233,1234,
igr2=2267,1207,
&end
#
# 106 PHE HD 106 PHE HN 3.00 (# 899:10 Unique 1.38, 3.73 A)
&rst
ixpk= 899, nxpk= 10, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1671,1679,
&end
#
# 0 AMB 10-2:900 106 PHE HN 5.00 (# 900:10 Single Ambig)
&rst
ixpk= 900, nxpk= 10, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1629,1685,
&end
#
# 0 AMB 10-2:901 106 PHE HN 3.00 (# 901:10 Single Ambig)
&rst
ixpk= 901, nxpk= 10, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1683,1653,
&end
#
# 0 AMB 10-2:902 106 PHE HN 5.00 (# 902:10 Single Ambig)
&rst
ixpk= 902, nxpk= 10, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1655,1700,
&end
#
# 106 PHE HA 106 PHE HN 4.00 (# 903:10 Unique 2.91, 2.93 A)
&rst
ixpk= 903, nxpk= 10, iat=1665,1663, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 PHE HB- 106 PHE HN 3.00 (# 904:10 Unique 2.04, 2.92 A)
&rst
ixpk= 904, nxpk= 10, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1667,1668,
&end
#
# 106 PHE HB+ 106 PHE HN 3.00 (# 905:10 Unique 2.04, 2.92 A)
&rst
ixpk= 905, nxpk= 10, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1667,1668,
&end
#
# 105 ALA MB 106 PHE HN 3.00 (# 906:10 Unique 2.21, 3.22 A)
&rst
ixpk= 906, nxpk= 10, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1657,1658,1659,
&end
#
# 57 LYS HB+ 56 ASP HN 5.00 (# 907:10 Unique 3.92, 4.85 A)
&rst
ixpk= 907, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 921, 922,
&end
#
# 46 GLU HG+ 47 ALA HN 5.00 (# 909:10 Unique 4.14, 4.65 A)
&rst
ixpk= 909, nxpk= 10, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 750, 751,
&end
#
# 46 GLU HN 47 ALA HN 3.00 (# 910:10 Unique 2.29, 2.42 A)
&rst
ixpk= 910, nxpk= 10, iat= 743, 758, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 48 MET HN 47 ALA HN 3.00 (# 911:10 Unique 1.82, 2.15 A)
&rst
ixpk= 911, nxpk= 10, iat= 768, 758, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 47 ALA HA 47 ALA HN 3.00 (# 913:10 Unique 2.92, 2.94 A)
&rst
ixpk= 913, nxpk= 10, iat= 760, 758, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 46 GLU HA 47 ALA HN 4.00 (# 914:10 Unique 3.29, 3.37 A)
&rst
ixpk= 914, nxpk= 10, iat= 745, 758, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:915 47 ALA HN 5.00 (# 915:10 Single Ambig)
&rst
ixpk= 915, nxpk= 10, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 772, 773, 750, 751, 806, 807,
&end
#
# 46 GLU HB- 47 ALA HN 3.00 (# 916:10 Unique 2.98, 3.94 A)
&rst
ixpk= 916, nxpk= 10, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 747, 748,
&end
#
# 0 AMB 10-2:917 47 ALA HN 3.00 (# 917:10 Single Ambig)
&rst
ixpk= 917, nxpk= 10, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 747, 748,2081,2082,
&end
#
# 47 ALA MB 47 ALA HN 3.00 (# 918:10 Unique 2.16, 3.04 A)
&rst
ixpk= 918, nxpk= 10, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 762, 763, 764,
&end
#
# 62 LEU HN 61 GLN HN 3.00 (# 920:10 Unique 1.76, 1.87 A)
&rst
ixpk= 920, nxpk= 10, iat=1006, 989, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 60 ASP HN 61 GLN HN 3.00 (# 921:10 Unique 1.70, 1.95 A)
&rst
ixpk= 921, nxpk= 10, iat= 977, 989, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 60 ASP HA 61 GLN HN 4.00 (# 922:10 Unique 3.00, 3.42 A)
&rst
ixpk= 922, nxpk= 10, iat= 979, 989, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 61 GLN HA 61 GLN HN 3.00 (# 923:10 Unique 2.86, 2.91 A)
&rst
ixpk= 923, nxpk= 10, iat= 991, 989, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 60 ASP HB+ 61 GLN HN 4.00 (# 924:10 Unique 3.00, 3.59 A)
&rst
ixpk= 924, nxpk= 10, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 981, 982,
&end
#
# 0 AMB 10-2:925 61 GLN HN 3.00 (# 925:10 Single Ambig)
&rst
ixpk= 925, nxpk= 10, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 996, 997, 993, 994,
&end
#
# 61 GLN HG- 61 GLN HN 3.00 (# 926:10 Unique 1.92, 3.67 A)
&rst
ixpk= 926, nxpk= 10, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 996, 997,
&end
#
# 61 GLN HB- 61 GLN HN 3.00 (# 927:10 Unique 2.39, 3.17 A)
&rst
ixpk= 927, nxpk= 10, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 993, 994,
&end
#
# 57 LYS HN 56 ASP HN 3.00 (# 928:10 Unique 2.30, 2.54 A)
&rst
ixpk= 928, nxpk= 10, iat= 917, 905, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 55 ARG HN 56 ASP HN 4.00 (# 929:10 Unique 2.34, 2.65 A)
&rst
ixpk= 929, nxpk= 10, iat= 881, 905, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 55 ARG HE 56 ASP HN 5.00 (# 930:10 Unique 2.41, 4.75 A)
&rst
ixpk= 930, nxpk= 10, iat= 894, 905, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 ASP HA 56 ASP HN 3.00 (# 931:10 Unique 2.71, 2.80 A)
&rst
ixpk= 931, nxpk= 10, iat= 907, 905, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 52 ASN HA 56 ASP HN 6.00 (# 932:10 Unique 4.02, 5.04 A)
&rst
ixpk= 932, nxpk= 10, iat= 834, 905, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 GLU HA 56 ASP HN 4.00 (# 933:10 Unique 2.97, 3.46 A)
&rst
ixpk= 933, nxpk= 10, iat= 848, 905, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:934 56 ASP HN 4.00 (# 934:10 Single Ambig)
&rst
ixpk= 934, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 883, 919,
&end
#
# 56 ASP HB+ 56 ASP HN 3.00 (# 935:10 Unique 2.00, 2.58 A)
&rst
ixpk= 935, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 909, 910,
&end
#
# 0 AMB 10-2:936 56 ASP HN 3.00 (# 936:10 Single Ambig)
&rst
ixpk= 936, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 885, 886, 909, 910,
&end
#
# 55 ARG HB+ 56 ASP HN 3.00 (# 937:10 Unique 1.95, 3.17 A)
&rst
ixpk= 937, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 885, 886,
&end
#
# 0 AMB 10-2:938 56 ASP HN 5.00 (# 938:10 Single Ambig)
&rst
ixpk= 938, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 939, 861, 846,
&end
#
# 92 GLN HN 91 THR HN 3.00 (# 939:10 Unique 1.87, 2.09 A)
&rst
ixpk= 939, nxpk= 10, iat=1460,1446, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 18 ASN HD2+ 91 THR HN 4.00 (# 940:10 Unique 3.40, 3.96 A)
&rst
ixpk= 940, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 302, 303,
&end
#
# 91 THR HA 91 THR HN 4.00 (# 941:10 Unique 2.89, 2.93 A)
&rst
ixpk= 941, nxpk= 10, iat=1448,1446, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 90 ILE HA 91 THR HN 3.00 (# 942:10 Unique 2.20, 2.33 A)
&rst
ixpk= 942, nxpk= 10, iat=1429,1446, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 91 THR MG2 91 THR HN 3.00 (# 943:10 Unique 2.57, 3.76 A)
&rst
ixpk= 943, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1452,1453,1454,
&end
#
# 90 ILE QG2 91 THR HN 4.00 (# 944:10 Unique 2.26, 4.25 A)
&rst
ixpk= 944, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1433,1434,1435,
&end
#
# 116 VAL HN 125 HIS HN 4.00 (# 945:10 Unique 3.10, 3.34 A)
&rst
ixpk= 945, nxpk= 10, iat=1830,1981, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 126 PHE HN 125 HIS HN 5.00 (# 946:10 Unique 4.15, 4.33 A)
&rst
ixpk= 946, nxpk= 10, iat=1998,1981, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 HIS HB- 125 HIS HN 5.00 (# 947:10 Unique 2.81, 3.30 A)
&rst
ixpk= 947, nxpk= 10, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1985,1986,
&end
#
# 123 LEU HG 125 HIS HN 4.00 (# 948:10 Unique 3.26, 3.92 A)
&rst
ixpk= 948, nxpk= 10, iat=1945,1981, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 124 ARG HN 125 HIS HN 3.00 (# 949:10 Unique 1.96, 2.34 A)
&rst
ixpk= 949, nxpk= 10, iat=1957,1981, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:950 125 HIS HN 5.00 (# 950:10 Single Ambig)
&rst
ixpk= 950, nxpk= 10, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1848,2000,
&end
#
# 0 AMB 10-2:951 125 HIS HN 6.00 (# 951:10 Single Ambig)
&rst
ixpk= 951, nxpk= 10, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1832,1811,
&end
#
# 123 LEU HA 125 HIS HN 4.00 (# 953:10 Unique 3.55, 3.84 A)
&rst
ixpk= 953, nxpk= 10, iat=1940,1981, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 125 HIS HB+ 125 HIS HN 4.00 (# 954:10 Unique 2.81, 3.30 A)
&rst
ixpk= 954, nxpk= 10, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1985,1986,
&end
#
# 116 VAL HB 125 HIS HN 4.00 (# 955:10 Unique 2.56, 3.28 A)
&rst
ixpk= 955, nxpk= 10, iat=1834,1981, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 124 ARG HB+ 125 HIS HN 5.00 (# 956:10 Unique 2.33, 3.06 A)
&rst
ixpk= 956, nxpk= 10, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1961,1962,
&end
#
# 124 ARG HB- 125 HIS HN 5.00 (# 957:10 Unique 2.33, 3.06 A)
&rst
ixpk= 957, nxpk= 10, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1961,1962,
&end
#
# 0 AMB 10-2:958 125 HIS HN 3.00 (# 958:10 Single Ambig)
&rst
ixpk= 958, nxpk= 10, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1836,1837,1838,1840,1841,1842,1947,1948,1949,1951,
1952,1953,
&end
#
# 123 LEU MDY 125 HIS HN 3.00 (# 959:10 Unique 1.98, 4.72 A)
&rst
ixpk= 959, nxpk= 10, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1947,1948,1949,1951,1952,1953,
&end
#
# 0 AMB 10-2:960 76 LEU HN 3.00 (# 960:10 Single Ambig)
&rst
ixpk= 960, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1238,1207,
&end
#
# 76 LEU HA 76 LEU HN 3.00 (# 963:10 Unique 2.81, 2.90 A)
&rst
ixpk= 963, nxpk= 10, iat=1221,1219, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 76 LEU HB+ 76 LEU HN 4.00 (# 964:10 Unique 2.04, 2.71 A)
&rst
ixpk= 964, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1223,1224,
&end
#
# 0 AMB 10-2:965 76 LEU HN 3.00 (# 965:10 Single Ambig)
&rst
ixpk= 965, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1226,1281,1282,
&end
#
# 76 LEU MDY 76 LEU HN 3.00 (# 966:10 Unique 1.94, 5.03 A)
&rst
ixpk= 966, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1228,1229,1230,1232,1233,1234,
&end
#
# 76 LEU MDX 76 LEU HN 3.00 (# 967:10 Unique 1.94, 5.03 A)
&rst
ixpk= 967, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1228,1229,1230,1232,1233,1234,
&end
#
# 24 GLU HN 25 GLN HN 3.00 (# 968:10 Unique 2.19, 2.53 A)
&rst
ixpk= 968, nxpk= 10, iat= 383, 398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 26 LEU HN 25 GLN HN 3.00 (# 969:10 Unique 1.89, 2.18 A)
&rst
ixpk= 969, nxpk= 10, iat= 415, 398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 27 ILE HN 25 GLN HN 5.00 (# 970:10 Unique 3.53, 3.72 A)
&rst
ixpk= 970, nxpk= 10, iat= 434, 398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 GLN HA 25 GLN HN 3.00 (# 972:10 Unique 2.86, 2.91 A)
&rst
ixpk= 972, nxpk= 10, iat= 400, 398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 GLU HA 25 GLN HN 4.00 (# 973:10 Unique 3.31, 3.35 A)
&rst
ixpk= 973, nxpk= 10, iat= 385, 398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:974 25 GLN HN 3.00 (# 974:10 Single Ambig)
&rst
ixpk= 974, nxpk= 10, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 390, 391, 405, 406,
&end
#
# 0 AMB 10-2:975 25 GLN HN 3.00 (# 975:10 Single Ambig)
&rst
ixpk= 975, nxpk= 10, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 402, 403, 390, 391,
&end
#
# 25 GLN HB+ 25 GLN HN 3.00 (# 976:10 Unique 2.31, 3.02 A)
&rst
ixpk= 976, nxpk= 10, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 402, 403,
&end
#
# 24 GLU HB+ 25 GLN HN 4.00 (# 977:10 Unique 4.16, 4.38 A)
&rst
ixpk= 977, nxpk= 10, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 387, 388,
&end
#
# 26 LEU HG 25 GLN HN 4.00 (# 978:10 Unique 2.48, 2.92 A)
&rst
ixpk= 978, nxpk= 10, iat= 422, 398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:979 25 GLN HN 5.00 (# 979:10 Single Ambig)
&rst
ixpk= 979, nxpk= 10, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 424, 425, 426, 428, 429, 430, 335, 336, 337, 339,
340, 341,
&end
#
# 0 AMB 10-2:981 108 ASN HD2- 3.00 (# 981:10 Single Ambig)
&rst
ixpk= 981, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1118,1119,1702,1703,
igr2=1707,1708,
&end
#
# 111 VAL MGX 108 ASN HD2- 6.00 (# 982:10 Unique 1.89, 4.36 A)
&rst
ixpk= 982, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1754,1755,1756,1758,1759,1760,
igr2=1707,1708,
&end
#
# 108 ASN HB+ 108 ASN HD2+ 5.00 (# 984:10 Unique 2.15, 3.55 A)
&rst
ixpk= 984, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1702,1703,
igr2=1707,1708,
&end
#
# 0 AMB 10-2:985 0 AMB 10-1:985 3.00 (# 985:10 Double Ambig)
&rst
ixpk= 985, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1118,1119,1702,1703,
igr2=1707,1708,1707,1708,
&end
#
# 8 PRO HA 9 GLU HN 3.00 (# 990:10 Unique 3.49, 3.53 A)
&rst
ixpk= 990, nxpk= 10, iat= 144, 148, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 9 GLU HA 9 GLU HN 3.00 (# 991:10 Unique 2.73, 2.86 A)
&rst
ixpk= 991, nxpk= 10, iat= 150, 148, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 103 THR HB 108 ASN HN 5.00 (# 992:10 Unique 3.12, 3.88 A)
&rst
ixpk= 992, nxpk= 10, iat=1631,1698, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 GLU HG+ 9 GLU HN 3.00 (# 993:10 Unique 3.34, 4.01 A)
&rst
ixpk= 993, nxpk= 10, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 155, 156,
&end
#
# 8 PRO HB- 9 GLU HN 3.00 (# 994:10 Unique 2.06, 3.12 A)
&rst
ixpk= 994, nxpk= 10, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 141, 142,
&end
#
# 0 AMB 10-2:995 0 AMB 10-1:995 3.00 (# 995:10 Double Ambig)
&rst
ixpk= 995, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 152, 153,1687,1688,
igr2= 148,1698,
&end
#
# 9 GLU HB+ 9 GLU HN 3.00 (# 996:10 Unique 2.62, 3.35 A)
&rst
ixpk= 996, nxpk= 10, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 152, 153,
&end
#
# 0 AMB 10-2:997 0 AMB 10-1:997 3.00 (# 997:10 Double Ambig)
&rst
ixpk= 997, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 141, 142,1702,1703,
igr2= 148,1698,
&end
#
# 19 GLY HN 20 GLU HN 4.00 (# 998:10 Unique 2.50, 3.75 A)
&rst
ixpk= 998, nxpk= 10, iat= 307, 314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 19 GLY HA- 20 GLU HN 3.00 (# 999:10 Unique 2.20, 2.75 A)
&rst
ixpk= 999, nxpk= 10, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 309, 310,
&end
#
# 19 GLY HA+ 20 GLU HN 3.00 (# 1000:10 Unique 2.20, 2.75 A)
&rst
ixpk= 1000, nxpk= 10, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 309, 310,
&end
#
# 0 AMB 10-2:1001 20 GLU HN 3.00 (# 1001:10 Single Ambig)
&rst
ixpk= 1001, nxpk= 10, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1514,1515, 316,
&end
#
# 20 GLU HB+ 20 GLU HN 3.00 (# 1002:10 Unique 2.07, 3.07 A)
&rst
ixpk= 1002, nxpk= 10, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 318, 319,
&end
#
# 20 GLU HG- 20 GLU HN 4.00 (# 1003:10 Unique 1.86, 3.58 A)
&rst
ixpk= 1003, nxpk= 10, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 321, 322,
&end
#
# 106 PHE HN 108 ASN HN 6.00 (# 1004:10 Unique 3.16, 3.91 A)
&rst
ixpk= 1004, nxpk= 10, iat=1663,1698, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 LEU HA 9 GLU HN 5.00 (# 1008:10 Unique 3.92, 4.14 A)
&rst
ixpk= 1008, nxpk= 10, iat= 165, 148, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 ASN HA 108 ASN HN 3.00 (# 1009:10 Unique 2.17, 2.22 A)
&rst
ixpk= 1009, nxpk= 10, iat=1700,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 103 THR HA 108 ASN HN 3.00 (# 1010:10 Unique 1.64, 2.10 A)
&rst
ixpk= 1010, nxpk= 10, iat=1629,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 106 PHE HB- 108 ASN HN 5.00 (# 1011:10 Unique 2.42, 4.20 A)
&rst
ixpk= 1011, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1667,1668,
&end
#
# 106 PHE HB+ 108 ASN HN 5.00 (# 1012:10 Unique 2.42, 4.20 A)
&rst
ixpk= 1012, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1667,1668,
&end
#
# 108 ASN HB+ 108 ASN HN 3.00 (# 1013:10 Unique 2.31, 3.34 A)
&rst
ixpk= 1013, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1702,1703,
&end
#
# 107 GLU HB+ 108 ASN HN 4.00 (# 1014:10 Unique 3.94, 4.48 A)
&rst
ixpk= 1014, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1687,1688,
&end
#
# 103 THR MG2 108 ASN HN 3.00 (# 1015:10 Unique 2.30, 3.74 A)
&rst
ixpk= 1015, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1633,1634,1635,
&end
#
# 49 PRO HA 50 GLN HN 4.00 (# 1018:10 Unique 3.21, 3.32 A)
&rst
ixpk= 1018, nxpk= 10, iat= 795, 799, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 50 GLN HA 50 GLN HN 3.00 (# 1019:10 Unique 2.90, 2.90 A)
&rst
ixpk= 1019, nxpk= 10, iat= 801, 799, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 49 PRO HD+ 50 GLN HN 4.00 (# 1020:10 Unique 2.38, 3.13 A)
&rst
ixpk= 1020, nxpk= 10, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 786, 787,
&end
#
# 49 PRO HD- 50 GLN HN 4.00 (# 1021:10 Unique 2.38, 3.13 A)
&rst
ixpk= 1021, nxpk= 10, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 786, 787,
&end
#
# 0 AMB 10-2:1022 0 AMB 10-1:1022 3.00 (# 1022:10 Double Ambig)
&rst
ixpk= 1022, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1514,1515, 803, 804,
igr2= 314, 799,
&end
#
# 52 ASN HN 50 GLN HN 5.00 (# 1025:10 Unique 3.04, 3.29 A)
&rst
ixpk= 1025, nxpk= 10, iat= 832, 799, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 ALA HA 50 GLN HN 4.00 (# 1026:10 Unique 3.11, 3.27 A)
&rst
ixpk= 1026, nxpk= 10, iat= 760, 799, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 MET HA 50 GLN HN 5.00 (# 1027:10 Unique 3.50, 3.72 A)
&rst
ixpk= 1027, nxpk= 10, iat= 770, 799, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1028 50 GLN HN 4.00 (# 1028:10 Single Ambig)
&rst
ixpk= 1028, nxpk= 10, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 792, 793, 853, 854, 772, 773,
&end
#
# 0 AMB 10-2:1029 50 GLN HN 3.00 (# 1029:10 Single Ambig)
&rst
ixpk= 1029, nxpk= 10, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 806, 807, 803, 804,
&end
#
# 0 AMB 10-2:1030 50 GLN HN 3.00 (# 1030:10 Single Ambig)
&rst
ixpk= 1030, nxpk= 10, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 789, 790,2081,2082, 820,
&end
#
# 0 AMB 10-2:1031 0 AMB 10-1:1031 4.00 (# 1031:10 Double Ambig)
&rst
ixpk= 1031, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 822, 823, 824, 826, 827, 828,1497,1498,1499,
igr2= 799, 314,
&end
#
# 0 AMB 10-2:1032 11 THR HN 5.00 (# 1032:10 Single Ambig)
&rst
ixpk= 1032, nxpk= 10, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 186, 198, 199,
&end
#
# 10 LEU HA 11 THR HN 3.00 (# 1033:10 Unique 2.25, 2.39 A)
&rst
ixpk= 1033, nxpk= 10, iat= 165, 182, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 11 THR MG2 11 THR HN 4.00 (# 1034:10 Unique 1.93, 3.03 A)
&rst
ixpk= 1034, nxpk= 10, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 188, 189, 190,
&end
#
# 102 LEU MDX 11 THR HN 4.00 (# 1035:10 Unique 2.58, 5.19 A)
&rst
ixpk= 1035, nxpk= 10, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1617,1618,1619,1621,1622,1623,
&end
#
# 23 ARG HN 24 GLU HN 4.00 (# 1036:10 Unique 2.40, 2.69 A)
&rst
ixpk= 1036, nxpk= 10, iat= 359, 383, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 GLN HN 24 GLU HN 3.00 (# 1037:10 Unique 2.19, 2.53 A)
&rst
ixpk= 1037, nxpk= 10, iat= 398, 383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 22 THR HB 24 GLU HN 3.00 (# 1039:10 Unique 2.11, 2.40 A)
&rst
ixpk= 1039, nxpk= 10, iat= 349, 383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 GLU HG- 24 GLU HN 4.00 (# 1040:10 Unique 2.06, 2.79 A)
&rst
ixpk= 1040, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 390, 391,
&end
#
# 24 GLU HB- 24 GLU HN 3.00 (# 1041:10 Unique 2.29, 3.03 A)
&rst
ixpk= 1041, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 387, 388,
&end
#
# 24 GLU HB+ 24 GLU HN 3.00 (# 1042:10 Unique 2.29, 3.03 A)
&rst
ixpk= 1042, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 387, 388,
&end
#
# 0 AMB 10-2:1043 24 GLU HN 3.00 (# 1043:10 Single Ambig)
&rst
ixpk= 1043, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 363, 364, 422,
&end
#
# 0 AMB 10-2:1044 24 GLU HN 5.00 (# 1044:10 Single Ambig)
&rst
ixpk= 1044, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 170, 121, 122, 333,
&end
#
# 27 ILE HG1- 24 GLU HN 5.00 (# 1045:10 Unique 4.83, 5.89 A)
&rst
ixpk= 1045, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 444, 445,
&end
#
# 24 GLU HA 24 GLU HN 3.00 (# 1046:10 Unique 2.75, 2.84 A)
&rst
ixpk= 1046, nxpk= 10, iat= 385, 383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 ARG HA 24 GLU HN 4.00 (# 1047:10 Unique 3.37, 3.47 A)
&rst
ixpk= 1047, nxpk= 10, iat= 361, 383, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 GLU HG+ 24 GLU HN 3.00 (# 1048:10 Unique 2.06, 2.79 A)
&rst
ixpk= 1048, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 390, 391,
&end
#
# 22 THR MG2 24 GLU HN 4.00 (# 1049:10 Unique 3.87, 4.89 A)
&rst
ixpk= 1049, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 351, 352, 353,
&end
#
# 0 AMB 10-2:1050 24 GLU HN 5.00 (# 1050:10 Single Ambig)
&rst
ixpk= 1050, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 424, 425, 426, 428, 429, 430, 447, 448, 449, 335,
336, 337, 339, 340, 341,
&end
#
# 57 LYS HN 58 TYR HN 3.00 (# 1054:10 Unique 1.98, 2.52 A)
&rst
ixpk= 1054, nxpk= 10, iat= 917, 939, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 59 GLN HN 58 TYR HN 3.00 (# 1055:10 Unique 1.89, 2.49 A)
&rst
ixpk= 1055, nxpk= 10, iat= 960, 939, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1057 58 TYR HN 4.00 (# 1057:10 Single Ambig)
&rst
ixpk= 1057, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 863, 962,
&end
#
# 58 TYR HB- 58 TYR HN 3.00 (# 1058:10 Unique 2.12, 3.05 A)
&rst
ixpk= 1058, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 943, 944,
&end
#
# 58 TYR HB+ 58 TYR HN 3.00 (# 1059:10 Unique 2.12, 3.05 A)
&rst
ixpk= 1059, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 943, 944,
&end
#
# 0 AMB 10-2:1060 58 TYR HN 4.00 (# 1060:10 Single Ambig)
&rst
ixpk= 1060, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 964, 965, 967, 968, 996, 997,
&end
#
# 57 LYS HB+ 58 TYR HN 3.00 (# 1061:10 Unique 2.16, 3.39 A)
&rst
ixpk= 1061, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 921, 922,
&end
#
# 57 LYS HG+ 58 TYR HN 4.00 (# 1062:10 Unique 2.07, 3.70 A)
&rst
ixpk= 1062, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 924, 925,
&end
#
# 58 TYR HA 58 TYR HN 3.00 (# 1063:10 Unique 2.83, 2.92 A)
&rst
ixpk= 1063, nxpk= 10, iat= 941, 939, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1064 58 TYR HN 5.00 (# 1064:10 Single Ambig)
&rst
ixpk= 1064, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1010,1011, 993, 994, 850, 851,
&end
#
# 57 LYS HG- 58 TYR HN 5.00 (# 1065:10 Unique 2.07, 3.70 A)
&rst
ixpk= 1065, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 924, 925,
&end
#
# 146 GLU HN 147 THR HN 3.00 (# 1067:10 Unique 1.84, 2.16 A)
&rst
ixpk= 1067, nxpk= 10, iat=2312,2327, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 147 THR HA 147 THR HN 3.00 (# 1070:10 Unique 2.92, 2.94 A)
&rst
ixpk= 1070, nxpk= 10, iat=2329,2327, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1071 147 THR HN 4.00 (# 1071:10 Single Ambig)
&rst
ixpk= 1071, nxpk= 10, iat= -1,2327, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2314,2304,
&end
#
# 146 GLU HB- 147 THR HN 3.00 (# 1072:10 Unique 2.18, 3.23 A)
&rst
ixpk= 1072, nxpk= 10, iat= -1,2327, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2316,2317,
&end
#
# 0 AMB 10-2:1073 147 THR HN 5.00 (# 1073:10 Single Ambig)
&rst
ixpk= 1073, nxpk= 10, iat= -1,2327, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=2306,2307,2308,1961,1962,1885,1886,
&end
#
# 147 THR MG2 147 THR HN 4.00 (# 1074:10 Unique 1.94, 3.26 A)
&rst
ixpk= 1074, nxpk= 10, iat= -1,2327, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2333,2334,2335,
&end
#
# 0 AMB 10-2:1075 58 TYR HN 4.00 (# 1075:10 Single Ambig)
&rst
ixpk= 1075, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 883, 919,
&end
#
# 57 LYS HB- 58 TYR HN 4.00 (# 1076:10 Unique 2.16, 3.39 A)
&rst
ixpk= 1076, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 921, 922,
&end
#
# 91 THR HA 18 ASN HD2+ 5.00 (# 1081:10 Unique 1.90, 3.04 A)
&rst
ixpk= 1081, nxpk= 10, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 302, 303,
&end
#
# 18 ASN HB- 18 ASN HD2+ 5.00 (# 1083:10 Unique 2.10, 3.12 A)
&rst
ixpk= 1083, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 297, 298,
igr2= 302, 303,
&end
#
# 18 ASN HB+ 18 ASN HD2+ 5.00 (# 1084:10 Unique 2.10, 3.12 A)
&rst
ixpk= 1084, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 297, 298,
igr2= 302, 303,
&end
#
# 18 ASN HB+ 18 ASN HD2- 5.00 (# 1086:10 Unique 2.10, 3.12 A)
&rst
ixpk= 1086, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 297, 298,
igr2= 302, 303,
&end
#
# 94 ILE QD1 18 ASN HD2- 4.00 (# 1087:10 Unique 1.92, 3.97 A)
&rst
ixpk= 1087, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1504,1505,1506,
igr2= 302, 303,
&end
#
# 19 GLY HN 18 ASN HN 5.00 (# 1088:10 Unique 2.49, 3.05 A)
&rst
ixpk= 1088, nxpk= 10, iat= 307, 293, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 LEU HA 18 ASN HN 3.00 (# 1089:10 Unique 2.18, 2.22 A)
&rst
ixpk= 1089, nxpk= 10, iat= 276, 293, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 18 ASN HA 18 ASN HN 3.00 (# 1090:10 Unique 2.17, 2.20 A)
&rst
ixpk= 1090, nxpk= 10, iat= 295, 293, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1091 18 ASN HN 4.00 (# 1091:10 Single Ambig)
&rst
ixpk= 1091, nxpk= 10, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 278, 279, 281,1319,1320,
&end
#
# 17 LEU MDY 18 ASN HN 5.00 (# 1092:10 Unique 2.89, 5.08 A)
&rst
ixpk= 1092, nxpk= 10, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 283, 284, 285, 287, 288, 289,
&end
#
# 85 ALA HA 88 HIS HN 5.00 (# 1094:10 Unique 2.75, 3.11 A)
&rst
ixpk= 1094, nxpk= 10, iat=1365,1398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 HIS HB+ 88 HIS HN 3.00 (# 1095:10 Unique 2.21, 2.94 A)
&rst
ixpk= 1095, nxpk= 10, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1402,1403,
&end
#
# 87 GLU HN 88 HIS HN 3.00 (# 1096:10 Unique 2.12, 2.27 A)
&rst
ixpk= 1096, nxpk= 10, iat=1383,1398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 89 ASP HN 88 HIS HN 3.00 (# 1097:10 Unique 2.35, 2.87 A)
&rst
ixpk= 1097, nxpk= 10, iat=1415,1398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 88 HIS HA 88 HIS HN 3.00 (# 1099:10 Unique 2.73, 2.82 A)
&rst
ixpk= 1099, nxpk= 10, iat=1400,1398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1100 88 HIS HN 4.00 (# 1100:10 Single Ambig)
&rst
ixpk= 1100, nxpk= 10, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1375,1417,
&end
#
# 87 GLU HA 88 HIS HN 4.00 (# 1101:10 Unique 3.29, 3.40 A)
&rst
ixpk= 1101, nxpk= 10, iat=1385,1398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 HIS HB- 88 HIS HN 3.00 (# 1102:10 Unique 2.21, 2.94 A)
&rst
ixpk= 1102, nxpk= 10, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1402,1403,
&end
#
# 87 GLU HB+ 88 HIS HN 4.00 (# 1103:10 Unique 3.00, 3.78 A)
&rst
ixpk= 1103, nxpk= 10, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1387,1388,
&end
#
# 0 AMB 10-2:1104 88 HIS HN 5.00 (# 1104:10 Single Ambig)
&rst
ixpk= 1104, nxpk= 10, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1377,1378,1379, 728, 729, 281, 278, 279,
&end
#
# 87 GLU HB- 88 HIS HN 4.00 (# 1105:10 Unique 3.00, 3.78 A)
&rst
ixpk= 1105, nxpk= 10, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1387,1388,
&end
#
# 91 THR HA 18 ASN HD2- 4.00 (# 1107:10 Unique 1.90, 3.04 A)
&rst
ixpk= 1107, nxpk= 10, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 302, 303,
&end
#
# 101 ALA HN 100 HIS HN 5.00 (# 1108:10 Unique 3.03, 3.23 A)
&rst
ixpk= 1108, nxpk= 10, iat=1598,1581, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 ASP HN 100 HIS HN 3.00 (# 1110:10 Unique 2.01, 2.28 A)
&rst
ixpk= 1110, nxpk= 10, iat=1569,1581, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 HIS HB+ 100 HIS HN 5.00 (# 1112:10 Unique 3.28, 3.72 A)
&rst
ixpk= 1112, nxpk= 10, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1585,1586,
&end
#
# 3 LEU MDY 4 ARG HN 4.00 (# 1114:10 Unique 3.23, 5.36 A)
&rst
ixpk= 1114, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 5 GLN HN 4 ARG HN 4.00 (# 1115:10 Unique 1.63, 2.21 A)
&rst
ixpk= 1115, nxpk= 10, iat= 86, 62, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 LEU HA 4 ARG HN 3.00 (# 1116:10 Unique 2.18, 2.30 A)
&rst
ixpk= 1116, nxpk= 10, iat= 45, 62, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 ARG HA 4 ARG HN 3.00 (# 1117:10 Unique 2.19, 2.26 A)
&rst
ixpk= 1117, nxpk= 10, iat= 64, 62, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 10-2:1118 4 ARG HN 5.00 (# 1118:10 Single Ambig)
&rst
ixpk= 1118, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 66, 67,1928,1929, 90, 91,
&end
#
# 123 LEU HB- 4 ARG HN 4.00 (# 1119:10 Unique 2.20, 3.55 A)
&rst
ixpk= 1119, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1942,1943,
&end
#
# 3 LEU HB+ 4 ARG HN 5.00 (# 1120:10 Unique 2.64, 3.47 A)
&rst
ixpk= 1120, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 47, 48,
&end
#
# 4 ARG HG- 4 ARG HN 4.00 (# 1121:10 Unique 2.74, 3.63 A)
&rst
ixpk= 1121, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 69, 70,
&end
#
# 4 ARG HG+ 4 ARG HN 4.00 (# 1122:10 Unique 2.74, 3.63 A)
&rst
ixpk= 1122, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 69, 70,
&end
#
# 0 AMB 10-2:1123 4 ARG HN 4.00 (# 1123:10 Single Ambig)
&rst
ixpk= 1123, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1942,1943, 47, 48,
&end
#
# 117 PHE HN 32 THR HN 6.00 (# 1124:10 Unique 2.65, 3.07 A)
&rst
ixpk= 1124, nxpk= 10, iat=1846, 511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 THR HG1 32 THR HN 4.00 (# 1125:10 Unique 2.85, 3.59 A)
&rst
ixpk= 1125, nxpk= 10, iat= 521, 511, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 THR HA 32 THR HN 5.00 (# 1126:10 Unique 2.94, 2.95 A)
&rst
ixpk= 1126, nxpk= 10, iat= 513, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HA 32 THR HN 3.00 (# 1127:10 Unique 2.27, 2.34 A)
&rst
ixpk= 1127, nxpk= 10, iat= 507, 511, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 32 THR HB 32 THR HN 3.00 (# 1128:10 Unique 2.25, 2.45 A)
&rst
ixpk= 1128, nxpk= 10, iat= 515, 511, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 117 PHE HB- 32 THR HN 6.00 (# 1129:10 Unique 2.27, 3.25 A)
&rst
ixpk= 1129, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1850,1851,
&end
#
# 31 PRO HB- 32 THR HN 4.00 (# 1130:10 Unique 2.77, 3.25 A)
&rst
ixpk= 1130, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 504, 505,
&end
#
# 31 PRO HB+ 32 THR HN 3.00 (# 1131:10 Unique 2.77, 3.25 A)
&rst
ixpk= 1131, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 504, 505,
&end
#
# 0 AMB 10-2:1132 32 THR HN 5.00 (# 1132:10 Single Ambig)
&rst
ixpk= 1132, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 517, 518, 519, 554, 555,
&end
#
# 0 AMB 10-2:1133 32 THR HN 4.00 (# 1133:10 Single Ambig)
&rst
ixpk= 1133, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1015,1016,1017,1019,1020,1021, 424, 425, 426, 428,
429, 430,
&end
#
# 100 HIS HA 100 HIS HN 3.00 (# 1135:10 Unique 2.20, 2.31 A)
&rst
ixpk= 1135, nxpk= 10, iat=1583,1581, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 HIS HB- 100 HIS HN 5.00 (# 1136:10 Unique 3.28, 3.72 A)
&rst
ixpk= 1136, nxpk= 10, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1585,1586,
&end
#
# 71 ARG HN 72 SER HN 3.00 (# 1140:10 Unique 2.27, 2.64 A)
&rst
ixpk= 1140, nxpk= 10, iat=1145,1169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 75 ASP HN 72 SER HN 5.00 (# 1141:10 Unique 2.59, 3.20 A)
&rst
ixpk= 1141, nxpk= 10, iat=1207,1169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 72 SER HA 72 SER HN 3.00 (# 1143:10 Unique 2.87, 2.89 A)
&rst
ixpk= 1143, nxpk= 10, iat=1171,1169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 71 ARG HA 72 SER HN 4.00 (# 1144:10 Unique 3.23, 3.47 A)
&rst
ixpk= 1144, nxpk= 10, iat=1147,1169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1145 72 SER HN 4.00 (# 1145:10 Single Ambig)
&rst
ixpk= 1145, nxpk= 10, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1173,1174, 658, 659,
&end
#
# 72 SER HB+ 72 SER HN 5.00 (# 1146:10 Unique 2.24, 3.08 A)
&rst
ixpk= 1146, nxpk= 10, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1173,1174,
&end
#
# 75 ASP HB+ 72 SER HN 4.00 (# 1147:10 Unique 2.16, 3.63 A)
&rst
ixpk= 1147, nxpk= 10, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1211,1212,
&end
#
# 75 ASP HB- 72 SER HN 4.00 (# 1148:10 Unique 2.16, 3.63 A)
&rst
ixpk= 1148, nxpk= 10, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1211,1212,
&end
#
# 70 PRO HB- 72 SER HN 4.00 (# 1149:10 Unique 3.97, 4.73 A)
&rst
ixpk= 1149, nxpk= 10, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1138,1139,
&end
#
# 71 ARG HB- 72 SER HN 4.00 (# 1150:10 Unique 2.16, 3.46 A)
&rst
ixpk= 1150, nxpk= 10, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1149,1150,
&end
#
# 71 ARG HB+ 72 SER HN 4.00 (# 1151:10 Unique 2.16, 3.46 A)
&rst
ixpk= 1151, nxpk= 10, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1149,1150,
&end
#
# 0 AMB 10-2:1159 5 GLN HE2- 3.00 (# 1159:10 Single Ambig)
&rst
ixpk= 1159, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 11, 12, 93, 94,
igr2= 98, 99,
&end
#
# 1 MET ME 5 GLN HE2- 4.00 (# 1160:10 Unique 1.83, 3.64 A)
&rst
ixpk= 1160, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 15, 16, 17,
igr2= 98, 99,
&end
#
# 1 MET HA 5 GLN HE2+ 6.00 (# 1166:10 Unique 1.88, 3.86 A)
&rst
ixpk= 1166, nxpk= 10, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 98, 99,
&end
#
# 0 AMB 10-2:1167 0 AMB 10-1:1167 3.00 (# 1167:10 Double Ambig)
&rst
ixpk= 1167, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 11, 12, 93, 94,
igr2= 98, 99, 98, 99,
&end
#
# 1 MET ME 5 GLN HE2+ 4.00 (# 1168:10 Unique 1.83, 3.64 A)
&rst
ixpk= 1168, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 15, 16, 17,
igr2= 98, 99,
&end
#
# 0 AMB 10-2:1175 50 GLN HE2- 4.00 (# 1175:10 Single Ambig)
&rst
ixpk= 1175, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 747, 748, 853, 854,2159,2160,
igr2= 811, 812,
&end
#
# 50 GLN HB+ 50 GLN HE2- 4.00 (# 1176:10 Unique 1.90, 4.04 A)
&rst
ixpk= 1176, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 803, 804,
igr2= 811, 812,
&end
#
# 47 ALA HA 50 GLN HE2+ 5.00 (# 1180:10 Unique 1.94, 3.64 A)
&rst
ixpk= 1180, nxpk= 10, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 811, 812,
&end
#
# 0 AMB 10-2:1181 0 AMB 10-1:1181 3.00 (# 1181:10 Double Ambig)
&rst
ixpk= 1181, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 803, 804, 806, 807, 789, 790,
igr2= 811, 812, 811, 812, 811, 812,
&end
#
# 0 AMB 10-2:1182 0 AMB 10-1:1182 5.00 (# 1182:10 Double Ambig)
&rst
ixpk= 1182, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 747, 748,2159,2160,
igr2= 811, 812, 811, 812,
&end
#
# 50 GLN HB+ 50 GLN HE2+ 6.00 (# 1183:10 Unique 1.90, 4.04 A)
&rst
ixpk= 1183, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 803, 804,
igr2= 811, 812,
&end
#
# 47 ALA HA 50 GLN HE2- 6.00 (# 1186:10 Unique 1.94, 3.64 A)
&rst
ixpk= 1186, nxpk= 10, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 811, 812,
&end
#
# 0 AMB 10-2:1187 50 GLN HE2- 3.00 (# 1187:10 Single Ambig)
&rst
ixpk= 1187, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 803, 804, 806, 807, 789, 790,
igr2= 811, 812,
&end
#
# 28 GLY HA- 28 GLY HN 3.00 (# 1197:10 Unique 2.31, 2.73 A)
&rst
ixpk= 1197, nxpk= 10, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 455, 456,
&end
#
# 27 ILE HA 28 GLY HN 3.00 (# 1198:10 Unique 2.31, 2.50 A)
&rst
ixpk= 1198, nxpk= 10, iat= 436, 453, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 119 LYS HA 28 GLY HN 4.00 (# 1199:10 Unique 3.06, 3.79 A)
&rst
ixpk= 1199, nxpk= 10, iat=1880, 453, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 GLY HA+ 28 GLY HN 3.00 (# 1200:10 Unique 2.31, 2.73 A)
&rst
ixpk= 1200, nxpk= 10, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 455, 456,
&end
#
# 27 ILE HB 28 GLY HN 4.00 (# 1201:10 Unique 1.97, 3.48 A)
&rst
ixpk= 1201, nxpk= 10, iat= 438, 453, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 ILE QG2 28 GLY HN 3.00 (# 1202:10 Unique 1.85, 2.66 A)
&rst
ixpk= 1202, nxpk= 10, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 440, 441, 442,
&end
#
# 0 AMB 10-2:1203 28 GLY HN 5.00 (# 1203:10 Single Ambig)
&rst
ixpk= 1203, nxpk= 10, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 447, 448, 449, 424, 425, 426, 428, 429, 430,
&end
#
# 45 LYS HN 44 CYSS HN 3.00 (# 1204:10 Unique 2.15, 2.45 A)
&rst
ixpk= 1204, nxpk= 10, iat= 721, 711, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 41 CYSS HA 44 CYSS HN 5.00 (# 1206:10 Unique 3.96, 4.42 A)
&rst
ixpk= 1206, nxpk= 10, iat= 667, 711, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1207 44 CYSS HN 3.00 (# 1207:10 Single Ambig)
&rst
ixpk= 1207, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 715, 716, 713,
&end
#
# 43 LEU HA 44 CYSS HN 4.00 (# 1208:10 Unique 3.42, 3.52 A)
&rst
ixpk= 1208, nxpk= 10, iat= 694, 711, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1209 44 CYSS HN 6.00 (# 1209:10 Single Ambig)
&rst
ixpk= 1209, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 604, 605,2047,2048,
&end
#
# 44 CYSS HB+ 44 CYSS HN 3.00 (# 1210:10 Unique 2.07, 2.82 A)
&rst
ixpk= 1210, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 715, 716,
&end
#
# 43 LEU HB- 44 CYSS HN 4.00 (# 1211:10 Unique 2.78, 3.53 A)
&rst
ixpk= 1211, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 696, 697,
&end
#
# 45 LYS HD- 44 CYSS HN 6.00 (# 1212:10 Unique 3.43, 5.04 A)
&rst
ixpk= 1212, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 731, 732,
&end
#
# 43 LEU HB+ 44 CYSS HN 4.00 (# 1213:10 Unique 2.78, 3.53 A)
&rst
ixpk= 1213, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 696, 697,
&end
#
# 0 AMB 10-2:1215 44 CYSS HN 5.00 (# 1215:10 Single Ambig)
&rst
ixpk= 1215, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1765,1766, 679, 680,
&end
#
# 45 LYS HB+ 44 CYSS HN 5.00 (# 1216:10 Unique 3.97, 5.18 A)
&rst
ixpk= 1216, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 725, 726,
&end
#
# 40 SER HA 40 SER HN 4.00 (# 1220:10 Unique 2.83, 2.89 A)
&rst
ixpk= 1220, nxpk= 10, iat= 656, 654, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1221 40 SER HN 4.00 (# 1221:10 Single Ambig)
&rst
ixpk= 1221, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 658, 659, 637,
&end
#
# 62 LEU HN 59 GLN HE2- 6.00 (# 1224:10 Unique 4.72, 5.45 A)
&rst
ixpk= 1224, nxpk= 10, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 972, 973,
&end
#
# 61 GLN HE2+ 59 GLN HE2- 3.00 (# 1225:10 Unique 6.70, 9.19 A)
&rst
ixpk= 1225, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1001,1002,
igr2= 972, 973,
&end
#
# 56 ASP HA 59 GLN HE2- 4.00 (# 1230:10 Unique 3.40, 4.51 A)
&rst
ixpk= 1230, nxpk= 10, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 972, 973,
&end
#
# 59 GLN HG+ 59 GLN HE2- 3.00 (# 1231:10 Unique 2.34, 3.51 A)
&rst
ixpk= 1231, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 967, 968,
igr2= 972, 973,
&end
#
# 0 AMB 10-2:1232 59 GLN HE2- 4.00 (# 1232:10 Single Ambig)
&rst
ixpk= 1232, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 964, 965, 967, 968,
igr2= 972, 973,
&end
#
# 59 GLN HB- 59 GLN HE2- 6.00 (# 1233:10 Unique 1.76, 3.70 A)
&rst
ixpk= 1233, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 964, 965,
igr2= 972, 973,
&end
#
# 56 ASP HA 59 GLN HE2+ 5.00 (# 1238:10 Unique 3.40, 4.51 A)
&rst
ixpk= 1238, nxpk= 10, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 972, 973,
&end
#
# 59 GLN HG+ 59 GLN HE2+ 4.00 (# 1239:10 Unique 2.34, 3.51 A)
&rst
ixpk= 1239, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 967, 968,
igr2= 972, 973,
&end
#
# 0 AMB 10-2:1240 0 AMB 10-1:1240 5.00 (# 1240:10 Double Ambig)
&rst
ixpk= 1240, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 964, 965, 967, 968,
igr2= 972, 973, 972, 973,
&end
#
# 110 TYR HN 111 VAL HN 5.00 (# 1241:10 Unique 1.78, 2.55 A)
&rst
ixpk= 1241, nxpk= 10, iat=1727,1748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 TYR HD 61 GLN HE2+ 3.00 (# 1244:10 Unique 3.08, 6.14 A)
&rst
ixpk= 1244, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 947, 956,
igr2=1001,1002,
&end
#
# 58 TYR HA 61 GLN HE2+ 5.00 (# 1246:10 Unique 2.42, 3.87 A)
&rst
ixpk= 1246, nxpk= 10, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1001,1002,
&end
#
# 61 GLN HG+ 61 GLN HE2+ 3.00 (# 1248:10 Unique 2.10, 3.39 A)
&rst
ixpk= 1248, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 996, 997,
igr2=1001,1002,
&end
#
# 61 GLN HG- 61 GLN HE2+ 3.00 (# 1249:10 Unique 2.10, 3.39 A)
&rst
ixpk= 1249, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 996, 997,
igr2=1001,1002,
&end
#
# 61 GLN HB- 61 GLN HE2+ 5.00 (# 1250:10 Unique 1.95, 3.60 A)
&rst
ixpk= 1250, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 993, 994,
igr2=1001,1002,
&end
#
# 144 LEU MDX 61 GLN HE2+ 6.00 (# 1251:10 Unique 3.41, 6.38 A)
&rst
ixpk= 1251, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2292,2293,2294,2296,2297,2298,
igr2=1001,1002,
&end
#
# 144 LEU MDY 61 GLN HE2+ 6.00 (# 1252:10 Unique 3.41, 6.38 A)
&rst
ixpk= 1252, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2292,2293,2294,2296,2297,2298,
igr2=1001,1002,
&end
#
# 59 GLN HE2- 61 GLN HE2- 3.00 (# 1254:10 Unique 6.70, 9.19 A)
&rst
ixpk= 1254, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 972, 973,
igr2=1001,1002,
&end
#
# 61 GLN HG+ 61 GLN HE2- 4.00 (# 1257:10 Unique 2.10, 3.39 A)
&rst
ixpk= 1257, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 996, 997,
igr2=1001,1002,
&end
#
# 61 GLN HG- 61 GLN HE2- 3.00 (# 1258:10 Unique 2.10, 3.39 A)
&rst
ixpk= 1258, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 996, 997,
igr2=1001,1002,
&end
#
# 144 LEU MDY 61 GLN HE2- 6.00 (# 1259:10 Unique 3.41, 6.38 A)
&rst
ixpk= 1259, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2292,2293,2294,2296,2297,2298,
igr2=1001,1002,
&end
#
# 110 TYR HD 111 VAL HN 4.00 (# 1260:10 Unique 1.50, 4.08 A)
&rst
ixpk= 1260, nxpk= 10, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1735,1744,
&end
#
# 110 TYR HA 111 VAL HN 3.00 (# 1261:10 Unique 2.53, 3.11 A)
&rst
ixpk= 1261, nxpk= 10, iat=1729,1748, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 111 VAL HA 111 VAL HN 3.00 (# 1262:10 Unique 2.21, 2.72 A)
&rst
ixpk= 1262, nxpk= 10, iat=1750,1748, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 110 TYR HB- 111 VAL HN 3.00 (# 1263:10 Unique 1.47, 3.94 A)
&rst
ixpk= 1263, nxpk= 10, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1731,1732,
&end
#
# 110 TYR HB+ 111 VAL HN 3.00 (# 1264:10 Unique 1.47, 3.94 A)
&rst
ixpk= 1264, nxpk= 10, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1731,1732,
&end
#
# 111 VAL HB 111 VAL HN 5.00 (# 1265:10 Unique 2.29, 2.93 A)
&rst
ixpk= 1265, nxpk= 10, iat=1752,1748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 VAL MGY 111 VAL HN 3.00 (# 1266:10 Unique 1.85, 3.95 A)
&rst
ixpk= 1266, nxpk= 10, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1754,1755,1756,1758,1759,1760,
&end
#
# 111 VAL MGX 111 VAL HN 4.00 (# 1267:10 Unique 1.85, 3.95 A)
&rst
ixpk= 1267, nxpk= 10, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1754,1755,1756,1758,1759,1760,
&end
#
# 59 GLN HE2- 61 GLN HE2+ 4.00 (# 1268:10 Unique 6.70, 9.19 A)
&rst
ixpk= 1268, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 972, 973,
igr2=1001,1002,
&end
#
# 21 VAL HA 22 THR HN 3.00 (# 1272:10 Unique 2.36, 2.60 A)
&rst
ixpk= 1272, nxpk= 10, iat= 331, 345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 GLN HG- 22 THR HN 5.00 (# 1273:10 Unique 2.96, 4.46 A)
&rst
ixpk= 1273, nxpk= 10, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 405, 406,
&end
#
# 25 GLN HB- 22 THR HN 3.00 (# 1274:10 Unique 1.87, 3.23 A)
&rst
ixpk= 1274, nxpk= 10, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 402, 403,
&end
#
# 25 GLN HB+ 22 THR HN 4.00 (# 1275:10 Unique 1.87, 3.23 A)
&rst
ixpk= 1275, nxpk= 10, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 402, 403,
&end
#
# 21 VAL HB 22 THR HN 3.00 (# 1276:10 Unique 1.97, 3.02 A)
&rst
ixpk= 1276, nxpk= 10, iat= 333, 345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 22 THR MG2 22 THR HN 3.00 (# 1277:10 Unique 3.19, 4.01 A)
&rst
ixpk= 1277, nxpk= 10, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 351, 352, 353,
&end
#
# 21 VAL MGX 22 THR HN 3.00 (# 1278:10 Unique 1.92, 3.78 A)
&rst
ixpk= 1278, nxpk= 10, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 335, 336, 337, 339, 340, 341,
&end
#
# 0 AMB 10-2:1283 25 GLN HE2- 3.00 (# 1283:10 Single Ambig)
&rst
ixpk= 1283, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 390, 391, 405, 406,
igr2= 410, 411,
&end
#
# 22 THR MG2 25 GLN HE2- 6.00 (# 1284:10 Unique 4.46, 6.49 A)
&rst
ixpk= 1284, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 351, 352, 353,
igr2= 410, 411,
&end
#
# 0 AMB 10-2:1288 0 AMB 10-1:1288 3.00 (# 1288:10 Double Ambig)
&rst
ixpk= 1288, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 390, 391, 405, 406,
igr2= 410, 411, 410, 411,
&end
#
# 119 LYS HN 120 THR HN 4.00 (# 1289:10 Unique 2.68, 2.85 A)
&rst
ixpk= 1289, nxpk= 10, iat=1878,1900, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 121 GLY HN 120 THR HN 3.00 (# 1290:10 Unique 1.68, 2.23 A)
&rst
ixpk= 1290, nxpk= 10, iat=1914,1900, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 122 GLN HN 120 THR HN 5.00 (# 1291:10 Unique 3.09, 3.42 A)
&rst
ixpk= 1291, nxpk= 10, iat=1921,1900, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 THR HA 120 THR HN 3.00 (# 1293:10 Unique 2.90, 2.93 A)
&rst
ixpk= 1293, nxpk= 10, iat=1902,1900, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 120 THR HB 120 THR HN 4.00 (# 1294:10 Unique 2.17, 2.49 A)
&rst
ixpk= 1294, nxpk= 10, iat=1904,1900, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 119 LYS HA 120 THR HN 4.00 (# 1295:10 Unique 2.85, 3.23 A)
&rst
ixpk= 1295, nxpk= 10, iat=1880,1900, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 121 GLY HA+ 120 THR HN 5.00 (# 1296:10 Unique 3.94, 4.64 A)
&rst
ixpk= 1296, nxpk= 10, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1916,1917,
&end
#
# 119 LYS HG+ 120 THR HN 4.00 (# 1297:10 Unique 2.61, 3.93 A)
&rst
ixpk= 1297, nxpk= 10, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1885,1886,
&end
#
# 120 THR MG2 120 THR HN 3.00 (# 1298:10 Unique 2.28, 3.51 A)
&rst
ixpk= 1298, nxpk= 10, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1906,1907,1908,
&end
#
# 119 LYS HG- 120 THR HN 4.00 (# 1299:10 Unique 2.61, 3.93 A)
&rst
ixpk= 1299, nxpk= 10, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1885,1886,
&end
#
# 141 ASN HN 141 ASN HD2+ 5.00 (# 1300:10 Unique 1.85, 3.26 A)
&rst
ixpk= 1300, nxpk= 10, iat=2229, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2238,2239,
&end
#
# 141 ASN HA 141 ASN HD2+ 5.00 (# 1304:10 Unique 1.93, 4.29 A)
&rst
ixpk= 1304, nxpk= 10, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2238,2239,
&end
#
# 138 LYS HA 141 ASN HD2+ 4.00 (# 1305:10 Unique 1.87, 3.33 A)
&rst
ixpk= 1305, nxpk= 10, iat=2169, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2238,2239,
&end
#
# 141 ASN HB- 141 ASN HD2+ 3.00 (# 1306:10 Unique 2.12, 3.28 A)
&rst
ixpk= 1306, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2233,2234,
igr2=2238,2239,
&end
#
# 141 ASN HB+ 141 ASN HD2+ 3.00 (# 1307:10 Unique 2.12, 3.28 A)
&rst
ixpk= 1307, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2233,2234,
igr2=2238,2239,
&end
#
# 137 GLU HG- 141 ASN HD2+ 4.00 (# 1308:10 Unique 2.50, 5.77 A)
&rst
ixpk= 1308, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2159,2160,
igr2=2238,2239,
&end
#
# 137 GLU HG+ 141 ASN HD2+ 4.00 (# 1309:10 Unique 2.50, 5.77 A)
&rst
ixpk= 1309, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2159,2160,
igr2=2238,2239,
&end
#
# 141 ASN HB- 141 ASN HD2- 4.00 (# 1316:10 Unique 2.12, 3.28 A)
&rst
ixpk= 1316, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2233,2234,
igr2=2238,2239,
&end
#
# 141 ASN HA 141 ASN HD2- 6.00 (# 1321:10 Unique 1.93, 4.29 A)
&rst
ixpk= 1321, nxpk= 10, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2238,2239,
&end
#
# 141 ASN HB+ 141 ASN HD2- 4.00 (# 1322:10 Unique 2.12, 3.28 A)
&rst
ixpk= 1322, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2233,2234,
igr2=2238,2239,
&end
#
# 137 GLU HG- 141 ASN HD2- 4.00 (# 1323:10 Unique 2.50, 5.77 A)
&rst
ixpk= 1323, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2159,2160,
igr2=2238,2239,
&end
#
# 137 GLU HG+ 141 ASN HD2- 4.00 (# 1324:10 Unique 2.50, 5.77 A)
&rst
ixpk= 1324, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2159,2160,
igr2=2238,2239,
&end
#
# 0 AMB 10-2:1326 0 AMB 10-1:1326 3.00 (# 1326:10 Double Ambig)
&rst
ixpk= 1326, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1925,1926,1928,1929,
igr2=1933,1934,1933,1934,
&end
#
# 122 GLN HG- 122 GLN HE2+ 4.00 (# 1331:10 Unique 2.10, 3.24 A)
&rst
ixpk= 1331, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1928,1929,
igr2=1933,1934,
&end
#
# 122 GLN HB+ 122 GLN HE2+ 5.00 (# 1332:10 Unique 1.91, 4.02 A)
&rst
ixpk= 1332, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1925,1926,
igr2=1933,1934,
&end
#
# 0 AMB 10-2:1333 0 AMB 10-1:1333 5.00 (# 1333:10 Double Ambig)
&rst
ixpk= 1333, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 758,1854,1862,
igr2= 624,1933,1934,
&end
#
# 37 TRP HA 38 SER HN 3.00 (# 1334:10 Unique 2.45, 2.51 A)
&rst
ixpk= 1334, nxpk= 10, iat= 602, 624, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 CYSS HB- 38 SER HN 5.00 (# 1336:10 Unique 1.94, 2.76 A)
&rst
ixpk= 1336, nxpk= 10, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 715, 716,
&end
#
# 38 SER HA 38 SER HN 4.00 (# 1337:10 Unique 2.85, 2.86 A)
&rst
ixpk= 1337, nxpk= 10, iat= 626, 624, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 37 TRP HB+ 38 SER HN 3.00 (# 1338:10 Unique 2.37, 3.07 A)
&rst
ixpk= 1338, nxpk= 10, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 604, 605,
&end
#
# 0 AMB 10-2:1339 0 AMB 10-1:1339 4.00 (# 1339:10 Double Ambig)
&rst
ixpk= 1339, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1870,1871, 628, 629,
igr2=1933,1934, 624,
&end
#
# 0 AMB 10-2:1340 38 SER HN 4.00 (# 1340:10 Single Ambig)
&rst
ixpk= 1340, nxpk= 10, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 715, 716, 604, 605,
&end
#
# 122 GLN HG- 122 GLN HE2- 5.00 (# 1342:10 Unique 2.10, 3.24 A)
&rst
ixpk= 1342, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1928,1929,
igr2=1933,1934,
&end
#
# 0 AMB 10-2:1343 122 GLN HE2- 4.00 (# 1343:10 Single Ambig)
&rst
ixpk= 1343, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1925,1926,1928,1929,
igr2=1933,1934,
&end
#
# 11 THR HA 12 GLY HN 3.00 (# 1344:10 Unique 2.16, 2.27 A)
&rst
ixpk= 1344, nxpk= 10, iat= 184, 196, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 12 GLY HA- 12 GLY HN 3.00 (# 1346:10 Unique 2.26, 2.72 A)
&rst
ixpk= 1346, nxpk= 10, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 198, 199,
&end
#
# 12 GLY HA+ 12 GLY HN 3.00 (# 1347:10 Unique 2.26, 2.72 A)
&rst
ixpk= 1347, nxpk= 10, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 198, 199,
&end
#
# 0 AMB 10-2:1348 12 GLY HN 4.00 (# 1348:10 Single Ambig)
&rst
ixpk= 1348, nxpk= 10, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 188, 189, 190, 318, 319,
&end
#
# 120 THR HN 121 GLY HN 3.00 (# 1352:10 Unique 1.68, 2.23 A)
&rst
ixpk= 1352, nxpk= 10, iat=1900,1914, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 122 GLN HN 121 GLY HN 3.00 (# 1353:10 Unique 2.16, 2.54 A)
&rst
ixpk= 1353, nxpk= 10, iat=1921,1914, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 120 THR HA 121 GLY HN 4.00 (# 1355:10 Unique 3.09, 3.29 A)
&rst
ixpk= 1355, nxpk= 10, iat=1902,1914, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 120 THR HB 121 GLY HN 6.00 (# 1356:10 Unique 3.76, 4.17 A)
&rst
ixpk= 1356, nxpk= 10, iat=1904,1914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 121 GLY HA- 121 GLY HN 3.00 (# 1357:10 Unique 2.25, 2.56 A)
&rst
ixpk= 1357, nxpk= 10, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1916,1917,
&end
#
# 121 GLY HA+ 121 GLY HN 3.00 (# 1358:10 Unique 2.25, 2.56 A)
&rst
ixpk= 1358, nxpk= 10, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1916,1917,
&end
#
# 120 THR MG2 121 GLY HN 5.00 (# 1359:10 Unique 2.19, 4.14 A)
&rst
ixpk= 1359, nxpk= 10, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1906,1907,1908,
&end
#
# 27 ILE QG2 121 GLY HN 6.00 (# 1360:10 Unique 2.17, 3.57 A)
&rst
ixpk= 1360, nxpk= 10, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 440, 441, 442,
&end
#
# 27 ILE QD1 121 GLY HN 6.00 (# 1361:10 Unique 2.74, 4.16 A)
&rst
ixpk= 1361, nxpk= 10, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 447, 448, 449,
&end
#
# 18 ASN HN 19 GLY HN 3.00 (# 1363:10 Unique 2.49, 3.05 A)
&rst
ixpk= 1363, nxpk= 10, iat= 293, 307, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 20 GLU HN 19 GLY HN 4.00 (# 1365:10 Unique 2.50, 3.75 A)
&rst
ixpk= 1365, nxpk= 10, iat= 314, 307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 LEU HA 19 GLY HN 4.00 (# 1366:10 Unique 3.42, 3.82 A)
&rst
ixpk= 1366, nxpk= 10, iat= 276, 307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 ASN HA 19 GLY HN 3.00 (# 1368:10 Unique 3.16, 3.53 A)
&rst
ixpk= 1368, nxpk= 10, iat= 295, 307, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 19 GLY HA- 19 GLY HN 3.00 (# 1369:10 Unique 2.37, 2.76 A)
&rst
ixpk= 1369, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 309, 310,
&end
#
# 0 AMB 10-2:1370 19 GLY HN 3.00 (# 1370:10 Single Ambig)
&rst
ixpk= 1370, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 309, 310, 297, 298,
&end
#
# 0 AMB 10-2:1371 19 GLY HN 4.00 (# 1371:10 Single Ambig)
&rst
ixpk= 1371, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 297, 298, 254, 255,
&end
#
# 78 PRO HA 79 GLY HN 4.00 (# 1377:10 Unique 2.87, 3.17 A)
&rst
ixpk= 1377, nxpk= 10, iat=1260,1264, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 PRO HA 119 LYS HN 4.00 (# 1385:10 Unique 3.03, 3.16 A)
&rst
ixpk= 1385, nxpk= 10, iat= 507,1878, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 119 LYS HA 28 GLY HN 4.00 (# 1395:10 Unique 3.06, 3.79 A)
&rst
ixpk= 1395, nxpk= 10, iat=1880, 453, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1398 120 THR HN 4.00 (# 1398:10 Single Ambig)
&rst
ixpk= 1398, nxpk= 10, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1882,1883,1925,1926,
&end
#
# 90 ILE QD1 88 HIS HN 4.00 (# 1400:10 Unique 3.54, 5.33 A)
&rst
ixpk= 1400, nxpk= 10, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1440,1441,1442,
&end
#
# 90 ILE HN 88 HIS HN 4.00 (# 1401:10 Unique 3.99, 4.44 A)
&rst
ixpk= 1401, nxpk= 10, iat=1427,1398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 80 LYS HN 79 GLY HN 3.00 (# 1403:10 Unique 2.13, 2.19 A)
&rst
ixpk= 1403, nxpk= 10, iat=1271,1264, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 78 PRO HD+ 79 GLY HN 5.00 (# 1405:10 Unique 2.63, 3.42 A)
&rst
ixpk= 1405, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1251,1252,
&end
#
# 79 GLY HA- 79 GLY HN 3.00 (# 1406:10 Unique 2.28, 2.62 A)
&rst
ixpk= 1406, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1266,1267,
&end
#
# 0 AMB 10-2:1407 79 GLY HN 3.00 (# 1407:10 Single Ambig)
&rst
ixpk= 1407, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1266,1267,1251,1252,
&end
#
# 78 PRO HG+ 79 GLY HN 4.00 (# 1408:10 Unique 3.75, 4.47 A)
&rst
ixpk= 1408, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1254,1255,
&end
#
# 78 PRO HB+ 79 GLY HN 4.00 (# 1409:10 Unique 3.97, 4.39 A)
&rst
ixpk= 1409, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1257,1258,
&end
#
# 0 AMB 10-2:1410 79 GLY HN 4.00 (# 1410:10 Single Ambig)
&rst
ixpk= 1410, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1254,1255,1275,1276,
&end
#
# 80 LYS HA 79 GLY HN 5.00 (# 1411:10 Unique 4.80, 4.85 A)
&rst
ixpk= 1411, nxpk= 10, iat=1273,1264, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 ASN HB+ 52 ASN HD2+ 3.00 (# 1419:10 Unique 2.13, 3.33 A)
&rst
ixpk= 1419, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 836, 837,
igr2= 841, 842,
&end
#
# 49 PRO HA 52 ASN HD2+ 5.00 (# 1428:10 Unique 1.85, 3.11 A)
&rst
ixpk= 1428, nxpk= 10, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 841, 842,
&end
#
# 0 AMB 10-2:1433 129 GLY HN 3.00 (# 1433:10 Single Ambig)
&rst
ixpk= 1433, nxpk= 10, iat= -1,2045, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2037,1780,
&end
#
# 129 GLY HA+ 129 GLY HN 3.00 (# 1435:10 Unique 2.25, 2.65 A)
&rst
ixpk= 1435, nxpk= 10, iat= -1,2045, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2047,2048,
&end
#
# 129 GLY HA- 129 GLY HN 3.00 (# 1436:10 Unique 2.25, 2.65 A)
&rst
ixpk= 1436, nxpk= 10, iat= -1,2045, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2047,2048,
&end
#
# 112 PRO HD+ 129 GLY HN 5.00 (# 1437:10 Unique 3.52, 5.24 A)
&rst
ixpk= 1437, nxpk= 10, iat= -1,2045, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1765,1766,
&end
#
# 128 ALA MB 129 GLY HN 3.00 (# 1438:10 Unique 2.56, 3.86 A)
&rst
ixpk= 1438, nxpk= 10, iat= -1,2045, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2039,2040,2041,
&end
#
# 67 VAL HA 95 PHE HN 4.00 (# 1439:10 Unique 1.95, 2.36 A)
&rst
ixpk= 1439, nxpk= 10, iat=1083,1510, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 PHE HB+ 95 PHE HN 5.00 (# 1440:10 Unique 2.36, 3.12 A)
&rst
ixpk= 1440, nxpk= 10, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1514,1515,
&end
#
# 95 PHE HA 95 PHE HN 6.00 (# 1441:10 Unique 2.90, 2.93 A)
&rst
ixpk= 1441, nxpk= 10, iat=1512,1510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 PHE HB- 95 PHE HN 4.00 (# 1442:10 Unique 2.36, 3.12 A)
&rst
ixpk= 1442, nxpk= 10, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1514,1515,
&end
#
# 66 ALA MB 95 PHE HN 6.00 (# 1443:10 Unique 4.20, 5.32 A)
&rst
ixpk= 1443, nxpk= 10, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1075,1076,1077,
&end
#
# 0 AMB 10-2:1444 95 PHE HN 6.00 (# 1444:10 Single Ambig)
&rst
ixpk= 1444, nxpk= 10, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1061,1062,1063,1065,1066,1067,1504,1505,1506,
&end
#
# 67 VAL MGY 95 PHE HN 6.00 (# 1445:10 Unique 2.52, 4.58 A)
&rst
ixpk= 1445, nxpk= 10, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1087,1088,1089,1091,1092,1093,
&end
#
# 67 VAL MGX 95 PHE HN 6.00 (# 1446:10 Unique 2.52, 4.58 A)
&rst
ixpk= 1446, nxpk= 10, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1087,1088,1089,1091,1092,1093,
&end
#
# 96 VAL HA 96 VAL HN 6.00 (# 1447:10 Unique 2.86, 2.93 A)
&rst
ixpk= 1447, nxpk= 10, iat=1532,1530, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 TRP HA 96 VAL HN 6.00 (# 1448:10 Unique 2.81, 3.47 A)
&rst
ixpk= 1448, nxpk= 10, iat= 252,1530, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 ALA HN 96 VAL HN 5.00 (# 1449:10 Unique 2.44, 3.23 A)
&rst
ixpk= 1449, nxpk= 10, iat= 240,1530, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 VAL MGX 96 VAL HN 4.00 (# 1450:10 Unique 1.92, 3.77 A)
&rst
ixpk= 1450, nxpk= 10, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1536,1537,1538,1540,1541,1542,
&end
#
# 111 VAL MGX 69 MET HN 5.00 (# 1451:10 Unique 3.25, 5.28 A)
&rst
ixpk= 1451, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1754,1755,1756,1758,1759,1760,
&end
#
# 67 VAL MGY 69 MET HN 6.00 (# 1452:10 Unique 4.17, 6.52 A)
&rst
ixpk= 1452, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1087,1088,1089,1091,1092,1093,
&end
#
# 63 ASN HB- 33 LEU HN 5.00 (# 1453:10 Unique 2.76, 3.62 A)
&rst
ixpk= 1453, nxpk= 10, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1029,1030,
&end
#
# 0 AMB 10-2:1454 33 LEU HN 5.00 (# 1454:10 Single Ambig)
&rst
ixpk= 1454, nxpk= 10, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 554, 555,1010,1011, 504, 505,1059,
&end
#
# 0 AMB 10-2:1455 33 LEU HN 5.00 (# 1455:10 Single Ambig)
&rst
ixpk= 1455, nxpk= 10, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 532, 422,
&end
#
# 62 LEU HG 33 LEU HN 5.00 (# 1456:10 Unique 3.33, 4.50 A)
&rst
ixpk= 1456, nxpk= 10, iat=1013, 525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 THR HB 33 LEU HN 6.00 (# 1457:10 Unique 3.97, 4.18 A)
&rst
ixpk= 1457, nxpk= 10, iat= 515, 525, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1458 33 LEU HN 6.00 (# 1458:10 Single Ambig)
&rst
ixpk= 1458, nxpk= 10, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1027,1832,
&end
#
# 63 ASN HN 33 LEU HN 4.00 (# 1459:10 Unique 3.18, 3.85 A)
&rst
ixpk= 1459, nxpk= 10, iat=1025, 525, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1460 33 LEU HN 6.00 (# 1460:10 Single Ambig)
&rst
ixpk= 1460, nxpk= 10, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 511,1039,
&end
#
# 0 AMB 10-2:1461 69 MET HN 6.00 (# 1461:10 Single Ambig)
&rst
ixpk= 1461, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 608,1411,1518,1526,
&end
#
# 0 AMB 10-2:1462 117 PHE HN 5.00 (# 1462:10 Single Ambig)
&rst
ixpk= 1462, nxpk= 10, iat= -1,1846, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 529, 530, 128, 129, 130,
&end
#
# 123 LEU HA 117 PHE HN 6.00 (# 1463:10 Unique 4.52, 4.75 A)
&rst
ixpk= 1463, nxpk= 10, iat=1940,1846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 THR HB 117 PHE HN 5.00 (# 1464:10 Unique 3.70, 4.15 A)
&rst
ixpk= 1464, nxpk= 10, iat= 515,1846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1465 34 ILE HN 6.00 (# 1465:10 Single Ambig)
&rst
ixpk= 1465, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1790, 513,1848,
&end
#
# 115 TYR HB- 34 ILE HN 5.00 (# 1466:10 Unique 2.84, 3.93 A)
&rst
ixpk= 1466, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1813,1814,
&end
#
# 115 TYR HB+ 34 ILE HN 6.00 (# 1467:10 Unique 2.84, 3.93 A)
&rst
ixpk= 1467, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1813,1814,
&end
#
# 33 LEU HB+ 34 ILE HN 5.00 (# 1468:10 Unique 4.02, 4.39 A)
&rst
ixpk= 1468, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 529, 530,
&end
#
# 33 LEU HB- 34 ILE HN 4.00 (# 1469:10 Unique 4.02, 4.39 A)
&rst
ixpk= 1469, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 529, 530,
&end
#
# 92 GLN HG+ 66 ALA HN 6.00 (# 1470:10 Unique 2.74, 4.21 A)
&rst
ixpk= 1470, nxpk= 10, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1467,1468,
&end
#
# 92 GLN HG- 66 ALA HN 5.00 (# 1471:10 Unique 2.74, 4.21 A)
&rst
ixpk= 1471, nxpk= 10, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1467,1468,
&end
#
# 92 GLN HB+ 66 ALA HN 6.00 (# 1472:10 Unique 3.44, 5.03 A)
&rst
ixpk= 1472, nxpk= 10, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1464,1465,
&end
#
# 33 LEU HN 34 ILE HN 5.00 (# 1473:10 Unique 4.01, 4.22 A)
&rst
ixpk= 1473, nxpk= 10, iat= 525, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 115 TYR HN 34 ILE HN 4.00 (# 1474:10 Unique 2.81, 3.09 A)
&rst
ixpk= 1474, nxpk= 10, iat=1809, 544, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1475 34 ILE HN 5.00 (# 1475:10 Single Ambig)
&rst
ixpk= 1475, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 563,1830,
&end
#
# 3 LEU MDX 126 PHE HN 6.00 (# 1479:10 Unique 2.30, 5.17 A)
&rst
ixpk= 1479, nxpk= 10, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 126 PHE HD 126 PHE HN 4.00 (# 1480:10 Unique 3.06, 4.27 A)
&rst
ixpk= 1480, nxpk= 10, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2006,2014,
&end
#
# 0 AMB 10-2:1481 124 ARG HN 6.00 (# 1481:10 Single Ambig)
&rst
ixpk= 1481, nxpk= 10, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1967,1968,1850,1851,
&end
#
# 0 AMB 10-2:1482 124 ARG HN 6.00 (# 1482:10 Single Ambig)
&rst
ixpk= 1482, nxpk= 10, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1928,1929,1834,
&end
#
# 124 ARG HG- 124 ARG HN 5.00 (# 1483:10 Unique 2.16, 3.72 A)
&rst
ixpk= 1483, nxpk= 10, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1964,1965,
&end
#
# 123 LEU HG 124 ARG HN 4.00 (# 1485:10 Unique 3.27, 3.99 A)
&rst
ixpk= 1485, nxpk= 10, iat=1945,1957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1486 124 ARG HN 4.00 (# 1486:10 Single Ambig)
&rst
ixpk= 1486, nxpk= 10, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1947,1948,1949,1951,1952,1953,1836,1837,1838,1840,
1841,1842,
&end
#
# 39 ILE HB 39 ILE HN 5.00 (# 1487:10 Unique 3.48, 3.53 A)
&rst
ixpk= 1487, nxpk= 10, iat= 639, 635, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1488 39 ILE HN 6.00 (# 1488:10 Single Ambig)
&rst
ixpk= 1488, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 669, 670,1155,1156,
&end
#
# 38 SER HB+ 39 ILE HN 5.00 (# 1489:10 Unique 2.49, 3.72 A)
&rst
ixpk= 1489, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 628, 629,
&end
#
# 38 SER HB- 39 ILE HN 6.00 (# 1490:10 Unique 2.49, 3.72 A)
&rst
ixpk= 1490, nxpk= 10, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 628, 629,
&end
#
# 40 SER HN 39 ILE HN 4.00 (# 1493:10 Unique 2.31, 2.59 A)
&rst
ixpk= 1493, nxpk= 10, iat= 654, 635, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 100 HIS HD2 102 LEU HN 6.00 (# 1496:10 Unique 3.78, 4.32 A)
&rst
ixpk= 1496, nxpk= 10, iat=1594,1608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 102 LEU MDX 102 LEU HN 5.00 (# 1498:10 Unique 1.87, 3.79 A)
&rst
ixpk= 1498, nxpk= 10, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1617,1618,1619,1621,1622,1623,
&end
#
# 67 VAL MGX 68 HIS HN 5.00 (# 1499:10 Unique 1.91, 4.31 A)
&rst
ixpk= 1499, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1087,1088,1089,1091,1092,1093,
&end
#
# 94 ILE QG2 68 HIS HN 4.00 (# 1500:10 Unique 2.44, 3.70 A)
&rst
ixpk= 1500, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1497,1498,1499,
&end
#
# 68 HIS HB+ 68 HIS HN 4.00 (# 1501:10 Unique 2.05, 2.76 A)
&rst
ixpk= 1501, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1101,1102,
&end
#
# 68 HIS HB- 68 HIS HN 4.00 (# 1502:10 Unique 2.05, 2.76 A)
&rst
ixpk= 1502, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1101,1102,
&end
#
# 95 PHE HB+ 68 HIS HN 6.00 (# 1503:10 Unique 4.08, 5.25 A)
&rst
ixpk= 1503, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1514,1515,
&end
#
# 68 HIS HA 68 HIS HN 5.00 (# 1504:10 Unique 2.85, 2.89 A)
&rst
ixpk= 1504, nxpk= 10, iat=1099,1097, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 VAL HA 68 HIS HN 5.00 (# 1505:10 Unique 2.28, 2.73 A)
&rst
ixpk= 1505, nxpk= 10, iat=1532,1097, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1506 105 ALA HN 4.00 (# 1506:10 Single Ambig)
&rst
ixpk= 1506, nxpk= 10, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1629,1685,
&end
#
# 103 THR HB 105 ALA HN 5.00 (# 1507:10 Unique 4.90, 5.03 A)
&rst
ixpk= 1507, nxpk= 10, iat=1631,1653, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 THR MG2 105 ALA HN 5.00 (# 1508:10 Unique 5.19, 5.97 A)
&rst
ixpk= 1508, nxpk= 10, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1633,1634,1635,
&end
#
# 0 AMB 10-2:1509 105 ALA HN 5.00 (# 1509:10 Single Ambig)
&rst
ixpk= 1509, nxpk= 10, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1665, 6,
&end
#
# 36 PHE HA 36 PHE HN 4.00 (# 1510:10 Unique 2.89, 2.90 A)
&rst
ixpk= 1510, nxpk= 10, iat= 582, 580, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 114 TYR HA 36 PHE HN 5.00 (# 1511:10 Unique 3.48, 3.66 A)
&rst
ixpk= 1511, nxpk= 10, iat=1790, 580, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 HIS HB- 36 PHE HN 4.00 (# 1513:10 Unique 3.12, 3.63 A)
&rst
ixpk= 1513, nxpk= 10, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 567, 568,
&end
#
# 113 ALA MB 36 PHE HN 4.00 (# 1514:10 Unique 2.69, 4.27 A)
&rst
ixpk= 1514, nxpk= 10, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1782,1783,1784,
&end
#
# 111 VAL MGX 36 PHE HN 5.00 (# 1515:10 Unique 4.16, 6.06 A)
&rst
ixpk= 1515, nxpk= 10, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1754,1755,1756,1758,1759,1760,
&end
#
# 63 ASN HD2+ 63 ASN HN 5.00 (# 1516:10 Unique 1.90, 2.96 A)
&rst
ixpk= 1516, nxpk= 10, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1034,1035,
&end
#
# 63 ASN HD2- 63 ASN HN 5.00 (# 1517:10 Unique 1.90, 2.96 A)
&rst
ixpk= 1517, nxpk= 10, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1034,1035,
&end
#
# 62 LEU HN 63 ASN HN 5.00 (# 1518:10 Unique 3.88, 4.21 A)
&rst
ixpk= 1518, nxpk= 10, iat=1006,1025, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1519 63 ASN HN 4.00 (# 1519:10 Single Ambig)
&rst
ixpk= 1519, nxpk= 10, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1039, 511,
&end
#
# 39 ILE QD1 80 LYS HN 4.00 (# 1520:10 Unique 4.92, 5.88 A)
&rst
ixpk= 1520, nxpk= 10, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 648, 649, 650,
&end
#
# 81 ILE QD1 80 LYS HN 6.00 (# 1521:10 Unique 3.25, 5.11 A)
&rst
ixpk= 1521, nxpk= 10, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1306,1307,1308,
&end
#
# 0 AMB 10-2:1522 0 AMB 10-1:1522 6.00 (# 1522:10 Double Ambig)
&rst
ixpk= 1522, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1617,1618,1619,1621,1622,1623,1303,1304,
igr2=1598,1271,
&end
#
# 17 LEU HB- 17 LEU HN 4.00 (# 1523:10 Unique 2.03, 2.91 A)
&rst
ixpk= 1523, nxpk= 10, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 278, 279,
&end
#
# 94 ILE HB 17 LEU HN 4.00 (# 1524:10 Unique 2.33, 3.52 A)
&rst
ixpk= 1524, nxpk= 10, iat=1495, 274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1525 17 LEU HN 4.00 (# 1525:10 Single Ambig)
&rst
ixpk= 1525, nxpk= 10, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 283, 284, 285, 287, 288, 289,1536,1537,1538,1540,
1541,1542,
&end
#
# 0 AMB 10-2:1526 17 LEU HN 4.00 (# 1526:10 Single Ambig)
&rst
ixpk= 1526, nxpk= 10, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 254, 255,1514,1515,
&end
#
# 123 LEU MDX 2 LYS HN 5.00 (# 1527:10 Unique 3.02, 6.53 A)
&rst
ixpk= 1527, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1947,1948,1949,1951,1952,1953,
&end
#
# 0 AMB 10-2:1528 51 VAL HN 5.00 (# 1528:10 Single Ambig)
&rst
ixpk= 1528, nxpk= 10, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 795, 834,
&end
#
# 133 MET ME 51 VAL HN 5.00 (# 1530:10 Unique 3.70, 5.40 A)
&rst
ixpk= 1530, nxpk= 10, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2088,2089,2090,
&end
#
# 47 ALA MB 51 VAL HN 6.00 (# 1531:10 Unique 3.14, 4.59 A)
&rst
ixpk= 1531, nxpk= 10, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 762, 763, 764,
&end
#
# 125 HIS HB+ 116 VAL HN 4.00 (# 1532:10 Unique 4.03, 5.31 A)
&rst
ixpk= 1532, nxpk= 10, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1985,1986,
&end
#
# 0 AMB 10-2:1533 116 VAL HN 5.00 (# 1533:10 Single Ambig)
&rst
ixpk= 1533, nxpk= 10, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2002,2003,2199,2200,
&end
#
# 115 TYR HB+ 116 VAL HN 4.00 (# 1534:10 Unique 2.96, 3.55 A)
&rst
ixpk= 1534, nxpk= 10, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1813,1814,
&end
#
# 125 HIS HB- 116 VAL HN 5.00 (# 1535:10 Unique 4.03, 5.31 A)
&rst
ixpk= 1535, nxpk= 10, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1985,1986,
&end
#
# 115 TYR HB- 116 VAL HN 5.00 (# 1536:10 Unique 2.96, 3.55 A)
&rst
ixpk= 1536, nxpk= 10, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1813,1814,
&end
#
# 123 LEU HA 116 VAL HN 6.00 (# 1537:10 Unique 4.28, 4.69 A)
&rst
ixpk= 1537, nxpk= 10, iat=1940,1830, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 125 HIS HD2 116 VAL HN 5.00 (# 1538:10 Unique 3.39, 4.60 A)
&rst
ixpk= 1538, nxpk= 10, iat=1994,1830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 PHE HD 116 VAL HN 6.00 (# 1539:10 Unique 4.88, 5.82 A)
&rst
ixpk= 1539, nxpk= 10, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2006,2014,
&end
#
# 117 PHE HE 7 MET HN 4.00 (# 1540:10 Unique 1.87, 4.66 A)
&rst
ixpk= 1540, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1856,1860,
&end
#
# 117 PHE HD 7 MET HN 4.00 (# 1541:10 Unique 2.14, 4.63 A)
&rst
ixpk= 1541, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1854,1862,
&end
#
# 122 GLN HA 7 MET HN 4.00 (# 1542:10 Unique 4.28, 4.64 A)
&rst
ixpk= 1542, nxpk= 10, iat=1923, 117, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 7 MET HG+ 7 MET HN 5.00 (# 1543:10 Unique 1.83, 2.96 A)
&rst
ixpk= 1543, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 124, 125,
&end
#
# 104 ASP HN 103 THR HN 4.00 (# 1544:10 Unique 2.67, 2.80 A)
&rst
ixpk= 1544, nxpk= 10, iat=1641,1627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 ASN HN 103 THR HN 6.00 (# 1545:10 Unique 3.60, 4.31 A)
&rst
ixpk= 1545, nxpk= 10, iat=1698,1627, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 100 HIS HD2 103 THR HN 6.00 (# 1546:10 Unique 4.92, 5.64 A)
&rst
ixpk= 1546, nxpk= 10, iat=1594,1627, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 ILE HG1- 94 ILE HN 6.00 (# 1548:10 Unique 1.99, 3.03 A)
&rst
ixpk= 1548, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1501,1502,
&end
#
# 0 AMB 10-2:1549 94 ILE HN 6.00 (# 1549:10 Single Ambig)
&rst
ixpk= 1549, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1497,1498,1499,1536,1537,1538,1540,1541,1542,
&end
#
# 94 ILE QD1 94 ILE HN 5.00 (# 1550:10 Unique 2.39, 4.33 A)
&rst
ixpk= 1550, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1504,1505,1506,
&end
#
# 0 AMB 10-2:1551 94 ILE HN 6.00 (# 1551:10 Single Ambig)
&rst
ixpk= 1551, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 278, 279, 281,
&end
#
# 94 ILE HB 94 ILE HN 4.00 (# 1552:10 Unique 2.62, 2.73 A)
&rst
ixpk= 1552, nxpk= 10, iat=1495,1491, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1553 0 AMB 10-1:1553 6.00 (# 1553:10 Double Ambig)
&rst
ixpk= 1553, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1187,1188,1501,1502,
igr2=1180,1491,
&end
#
# 18 ASN HB+ 94 ILE HN 5.00 (# 1555:10 Unique 2.03, 3.51 A)
&rst
ixpk= 1555, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 297, 298,
&end
#
# 0 AMB 10-2:1556 94 ILE HN 5.00 (# 1556:10 Single Ambig)
&rst
ixpk= 1556, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 309, 310, 297, 298,
&end
#
# 94 ILE HA 94 ILE HN 5.00 (# 1557:10 Unique 2.92, 2.94 A)
&rst
ixpk= 1557, nxpk= 10, iat=1493,1491, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 ASN HD2- 94 ILE HN 6.00 (# 1558:10 Unique 3.12, 4.36 A)
&rst
ixpk= 1558, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 302, 303,
&end
#
# 0 AMB 10-2:1559 94 ILE HN 5.00 (# 1559:10 Single Ambig)
&rst
ixpk= 1559, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1472,1473, 269,
&end
#
# 0 AMB 10-2:1560 114 TYR HN 4.00 (# 1560:10 Single Ambig)
&rst
ixpk= 1560, nxpk= 10, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2022,2023,2137,2138,
&end
#
# 0 AMB 10-2:1561 114 TYR HN 5.00 (# 1561:10 Single Ambig)
&rst
ixpk= 1561, nxpk= 10, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2022,2023, 8, 9,
&end
#
# 35 HIS HA 114 TYR HN 5.00 (# 1563:10 Unique 4.14, 4.34 A)
&rst
ixpk= 1563, nxpk= 10, iat= 565,1788, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 PHE HD 114 TYR HN 5.00 (# 1564:10 Unique 2.86, 5.26 A)
&rst
ixpk= 1564, nxpk= 10, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2006,2014,
&end
#
# 115 TYR HE 114 TYR HN 5.00 (# 1565:10 Unique 3.32, 5.69 A)
&rst
ixpk= 1565, nxpk= 10, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1819,1824,
&end
#
# 0 AMB 10-2:1568 114 TYR HN 5.00 (# 1568:10 Single Ambig)
&rst
ixpk= 1568, nxpk= 10, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2008,2012,1778,
&end
#
# 115 TYR HD 114 TYR HN 6.00 (# 1569:10 Unique 2.79, 5.17 A)
&rst
ixpk= 1569, nxpk= 10, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1817,1826,
&end
#
# 0 AMB 10-2:1570 0 AMB 10-1:1570 4.00 (# 1570:10 Double Ambig)
&rst
ixpk= 1570, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 608, 947, 956,
igr2=1472,1473,1472,1473,
&end
#
# 92 GLN HG- 92 GLN HE2+ 4.00 (# 1571:10 Unique 2.10, 3.25 A)
&rst
ixpk= 1571, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1467,1468,
igr2=1472,1473,
&end
#
# 92 GLN HG+ 92 GLN HE2+ 5.00 (# 1572:10 Unique 2.10, 3.25 A)
&rst
ixpk= 1572, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1467,1468,
igr2=1472,1473,
&end
#
# 64 VAL MGY 92 GLN HE2+ 4.00 (# 1573:10 Unique 1.86, 4.65 A)
&rst
ixpk= 1573, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1045,1046,1047,1049,1050,1051,
igr2=1472,1473,
&end
#
# 90 ILE QG2 92 GLN HE2+ 5.00 (# 1574:10 Unique 1.99, 6.06 A)
&rst
ixpk= 1574, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1433,1434,1435,
igr2=1472,1473,
&end
#
# 51 VAL MGX 92 GLN HE2+ 6.00 (# 1575:10 Unique 1.91, 4.08 A)
&rst
ixpk= 1575, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 822, 823, 824, 826, 827, 828,
igr2=1472,1473,
&end
#
# 31 PRO HB- 119 LYS HN 5.00 (# 1576:10 Unique 2.61, 3.79 A)
&rst
ixpk= 1576, nxpk= 10, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 504, 505,
&end
#
# 119 LYS HE+ 119 LYS HN 5.00 (# 1577:10 Unique 3.72, 4.94 A)
&rst
ixpk= 1577, nxpk= 10, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1891,1892,
&end
#
# 31 PRO HA 119 LYS HN 4.00 (# 1578:10 Unique 3.03, 3.16 A)
&rst
ixpk= 1578, nxpk= 10, iat= 507,1878, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1579 119 LYS HN 4.00 (# 1579:10 Single Ambig)
&rst
ixpk= 1579, nxpk= 10, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1914,1866,
&end
#
# 124 ARG HN 118 ASP HN 4.00 (# 1580:10 Unique 3.15, 3.48 A)
&rst
ixpk= 1580, nxpk= 10, iat=1957,1866, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 119 LYS HN 118 ASP HN 5.00 (# 1581:10 Unique 4.60, 4.64 A)
&rst
ixpk= 1581, nxpk= 10, iat=1878,1866, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 PHE HN 118 ASP HN 5.00 (# 1582:10 Unique 4.34, 4.43 A)
&rst
ixpk= 1582, nxpk= 10, iat=1846,1866, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 THR HB 106 PHE HN 6.00 (# 1583:10 Unique 5.32, 5.50 A)
&rst
ixpk= 1583, nxpk= 10, iat=1631,1663, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 TYR HA 61 GLN HN 4.00 (# 1586:10 Unique 3.16, 3.38 A)
&rst
ixpk= 1586, nxpk= 10, iat= 941, 989, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 59 GLN HA 61 GLN HN 5.00 (# 1587:10 Unique 3.43, 3.88 A)
&rst
ixpk= 1587, nxpk= 10, iat= 962, 989, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 TYR HB- 61 GLN HN 4.00 (# 1588:10 Unique 3.10, 4.32 A)
&rst
ixpk= 1588, nxpk= 10, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 943, 944,
&end
#
# 30 LYS HG+ 61 GLN HN 6.00 (# 1589:10 Unique 4.75, 6.07 A)
&rst
ixpk= 1589, nxpk= 10, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 482, 483,
&end
#
# 62 LEU HB+ 61 GLN HN 5.00 (# 1590:10 Unique 4.02, 4.72 A)
&rst
ixpk= 1590, nxpk= 10, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1010,1011,
&end
#
# 0 AMB 10-2:1591 61 GLN HN 5.00 (# 1591:10 Single Ambig)
&rst
ixpk= 1591, nxpk= 10, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2292,2293,2294,2296,2297,2298,1015,1016,1017,1019,
1020,1021,
&end
#
# 144 LEU MDY 61 GLN HN 5.00 (# 1592:10 Unique 4.16, 5.99 A)
&rst
ixpk= 1592, nxpk= 10, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2292,2293,2294,2296,2297,2298,
&end
#
# 103 THR MG2 108 ASN HD2+ 4.00 (# 1593:10 Unique 2.96, 5.93 A)
&rst
ixpk= 1593, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1633,1634,1635,
igr2=1707,1708,
&end
#
# 111 VAL MGX 108 ASN HD2+ 4.00 (# 1594:10 Unique 1.89, 4.36 A)
&rst
ixpk= 1594, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1754,1755,1756,1758,1759,1760,
igr2=1707,1708,
&end
#
# 0 AMB 10-2:1595 106 PHE HN 5.00 (# 1595:10 Single Ambig)
&rst
ixpk= 1595, nxpk= 10, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1702,1703,1690,1691,
&end
#
# 0 AMB 10-2:1596 60 ASP HN 5.00 (# 1596:10 Single Ambig)
&rst
ixpk= 1596, nxpk= 10, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 993, 994,1010,1011,
&end
#
# 62 LEU HN 60 ASP HN 4.00 (# 1598:10 Unique 2.09, 2.83 A)
&rst
ixpk= 1598, nxpk= 10, iat=1006, 977, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 125 HIS HD2 125 HIS HN 5.00 (# 1599:10 Unique 3.64, 4.78 A)
&rst
ixpk= 1599, nxpk= 10, iat=1994,1981, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 LEU MDX 24 GLU HN 6.00 (# 1600:10 Unique 4.55, 7.30 A)
&rst
ixpk= 1600, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 172, 173, 174, 176, 177, 178,
&end
#
# 0 AMB 10-2:1603 24 GLU HN 5.00 (# 1603:10 Single Ambig)
&rst
ixpk= 1603, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 400, 417,
&end
#
# 27 ILE HN 24 GLU HN 6.00 (# 1604:10 Unique 4.76, 4.91 A)
&rst
ixpk= 1604, nxpk= 10, iat= 434, 383, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU HN 24 GLU HN 5.00 (# 1605:10 Unique 3.84, 4.11 A)
&rst
ixpk= 1605, nxpk= 10, iat= 415, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 LEU MDX 18 ASN HN 5.00 (# 1606:10 Unique 2.89, 5.08 A)
&rst
ixpk= 1606, nxpk= 10, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 283, 284, 285, 287, 288, 289,
&end
#
# 0 AMB 10-2:1608 18 ASN HN 5.00 (# 1608:10 Single Ambig)
&rst
ixpk= 1608, nxpk= 10, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 297, 298, 254, 255,
&end
#
# 0 AMB 10-2:1609 18 ASN HN 4.00 (# 1609:10 Single Ambig)
&rst
ixpk= 1609, nxpk= 10, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 297, 298, 309, 310,
&end
#
# 3 LEU MDX 4 ARG HN 5.00 (# 1610:10 Unique 3.23, 5.36 A)
&rst
ixpk= 1610, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 123 LEU MDY 4 ARG HN 6.00 (# 1611:10 Unique 3.42, 5.69 A)
&rst
ixpk= 1611, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1947,1948,1949,1951,1952,1953,
&end
#
# 4 ARG HD+ 4 ARG HN 5.00 (# 1612:10 Unique 3.40, 5.06 A)
&rst
ixpk= 1612, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 72, 73,
&end
#
# 3 LEU HN 4 ARG HN 6.00 (# 1613:10 Unique 4.24, 4.58 A)
&rst
ixpk= 1613, nxpk= 10, iat= 43, 62, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 123 LEU HN 4 ARG HN 5.00 (# 1614:10 Unique 3.48, 3.85 A)
&rst
ixpk= 1614, nxpk= 10, iat=1938, 62, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 ASN HB- 18 ASN HD2- 4.00 (# 1615:10 Unique 2.10, 3.12 A)
&rst
ixpk= 1615, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 297, 298,
igr2= 302, 303,
&end
#
# 99 ASP HB- 100 HIS HN 5.00 (# 1618:10 Unique 2.03, 2.78 A)
&rst
ixpk= 1618, nxpk= 10, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1573,1574,
&end
#
# 99 ASP HB+ 100 HIS HN 5.00 (# 1619:10 Unique 2.03, 2.78 A)
&rst
ixpk= 1619, nxpk= 10, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1573,1574,
&end
#
# 101 ALA MB 100 HIS HN 5.00 (# 1620:10 Unique 4.82, 5.72 A)
&rst
ixpk= 1620, nxpk= 10, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1602,1603,1604,
&end
#
# 103 THR MG2 100 HIS HN 6.00 (# 1621:10 Unique 3.33, 5.33 A)
&rst
ixpk= 1621, nxpk= 10, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1633,1634,1635,
&end
#
# 0 AMB 10-2:1622 0 AMB 10-1:1622 5.00 (# 1622:10 Double Ambig)
&rst
ixpk= 1622, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 138, 139, 28, 29,
igr2= 98, 99, 98, 99,
&end
#
# 133 MET ME 50 GLN HE2- 5.00 (# 1623:10 Unique 5.09, 7.21 A)
&rst
ixpk= 1623, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2088,2089,2090,
igr2= 811, 812,
&end
#
# 136 LEU HB+ 50 GLN HE2- 4.00 (# 1624:10 Unique 6.75, 8.92 A)
&rst
ixpk= 1624, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2137,2138,
igr2= 811, 812,
&end
#
# 47 ALA MB 50 GLN HE2- 5.00 (# 1625:10 Unique 3.74, 5.98 A)
&rst
ixpk= 1625, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 762, 763, 764,
igr2= 811, 812,
&end
#
# 43 LEU MDY 44 CYSS HN 5.00 (# 1626:10 Unique 2.75, 5.66 A)
&rst
ixpk= 1626, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 701, 702, 703, 705, 706, 707,
&end
#
# 27 ILE HG1+ 28 GLY HN 4.00 (# 1627:10 Unique 3.84, 4.70 A)
&rst
ixpk= 1627, nxpk= 10, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 444, 445,
&end
#
# 0 AMB 10-2:1628 28 GLY HN 6.00 (# 1628:10 Single Ambig)
&rst
ixpk= 1628, nxpk= 10, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1906,1907,1908, 517, 518, 519,
&end
#
# 27 ILE HG1- 28 GLY HN 4.00 (# 1629:10 Unique 3.84, 4.70 A)
&rst
ixpk= 1629, nxpk= 10, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 444, 445,
&end
#
# 119 LYS HB+ 28 GLY HN 5.00 (# 1630:10 Unique 2.62, 4.25 A)
&rst
ixpk= 1630, nxpk= 10, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1882,1883,
&end
#
# 119 LYS HD- 28 GLY HN 6.00 (# 1631:10 Unique 2.66, 4.96 A)
&rst
ixpk= 1631, nxpk= 10, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1888,1889,
&end
#
# 119 LYS HA 28 GLY HN 4.00 (# 1632:10 Unique 3.06, 3.79 A)
&rst
ixpk= 1632, nxpk= 10, iat=1880, 453, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1633 28 GLY HN 5.00 (# 1633:10 Single Ambig)
&rst
ixpk= 1633, nxpk= 10, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 434,1034,1035,
&end
#
# 43 LEU HN 44 CYSS HN 5.00 (# 1634:10 Unique 2.52, 2.70 A)
&rst
ixpk= 1634, nxpk= 10, iat= 692, 711, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 ALA HN 44 CYSS HN 6.00 (# 1635:10 Unique 4.55, 4.95 A)
&rst
ixpk= 1635, nxpk= 10, iat= 758, 711, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 SER HN 44 CYSS HN 6.00 (# 1636:10 Unique 4.14, 4.77 A)
&rst
ixpk= 1636, nxpk= 10, iat= 624, 711, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 128 ALA MB 111 VAL HN 5.00 (# 1637:10 Unique 3.58, 5.72 A)
&rst
ixpk= 1637, nxpk= 10, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2039,2040,2041,
&end
#
# 69 MET ME 111 VAL HN 6.00 (# 1638:10 Unique 3.42, 5.92 A)
&rst
ixpk= 1638, nxpk= 10, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1125,1126,1127,
&end
#
# 122 GLN HB+ 122 GLN HE2- 5.00 (# 1639:10 Unique 1.91, 4.02 A)
&rst
ixpk= 1639, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1925,1926,
igr2=1933,1934,
&end
#
# 0 AMB 10-2:1640 0 AMB 10-1:1640 6.00 (# 1640:10 Double Ambig)
&rst
ixpk= 1640, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 779, 780, 781, 47, 48, 699,
igr2= 624,1933,1934,
&end
#
# 120 THR MG2 122 GLN HE2- 6.00 (# 1641:10 Unique 1.95, 4.14 A)
&rst
ixpk= 1641, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1906,1907,1908,
igr2=1933,1934,
&end
#
# 111 VAL MGY 38 SER HN 6.00 (# 1642:10 Unique 4.00, 6.31 A)
&rst
ixpk= 1642, nxpk= 10, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1754,1755,1756,1758,1759,1760,
&end
#
# 111 VAL MGX 38 SER HN 5.00 (# 1643:10 Unique 4.00, 6.31 A)
&rst
ixpk= 1643, nxpk= 10, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1754,1755,1756,1758,1759,1760,
&end
#
# 120 THR MG2 122 GLN HE2+ 5.00 (# 1644:10 Unique 1.95, 4.14 A)
&rst
ixpk= 1644, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1906,1907,1908,
igr2=1933,1934,
&end
#
# 0 AMB 10-2:1645 120 THR HN 4.00 (# 1645:10 Single Ambig)
&rst
ixpk= 1645, nxpk= 10, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1882,1883,1925,1926,
&end
#
# 118 ASP HB+ 120 THR HN 6.00 (# 1646:10 Unique 1.89, 2.92 A)
&rst
ixpk= 1646, nxpk= 10, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1870,1871,
&end
#
# 27 ILE QG2 120 THR HN 5.00 (# 1647:10 Unique 3.31, 4.60 A)
&rst
ixpk= 1647, nxpk= 10, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 440, 441, 442,
&end
#
# 118 ASP HB- 120 THR HN 4.00 (# 1649:10 Unique 1.89, 2.92 A)
&rst
ixpk= 1649, nxpk= 10, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1870,1871,
&end
#
# 0 AMB 10-2:1650 121 GLY HN 6.00 (# 1650:10 Single Ambig)
&rst
ixpk= 1650, nxpk= 10, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1925,1926,1928,1929,
&end
#
# 0 AMB 10-2:1651 121 GLY HN 6.00 (# 1651:10 Single Ambig)
&rst
ixpk= 1651, nxpk= 10, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1925,1926,1882,1883,
&end
#
# 0 AMB 10-2:1652 121 GLY HN 5.00 (# 1652:10 Single Ambig)
&rst
ixpk= 1652, nxpk= 10, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 128, 129, 130,1882,1883,
&end
#
# 0 AMB 10-2:1653 19 GLY HN 4.00 (# 1653:10 Single Ambig)
&rst
ixpk= 1653, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 278, 279, 281,1319,1320,
&end
#
# 17 LEU MDY 19 GLY HN 5.00 (# 1654:10 Unique 5.05, 6.35 A)
&rst
ixpk= 1654, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 283, 284, 285, 287, 288, 289,
&end
#
# 0 AMB 10-2:1655 19 GLY HN 6.00 (# 1655:10 Single Ambig)
&rst
ixpk= 1655, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1=1501,1502, 283, 284, 285, 287, 288, 289, 335, 336,
337, 339, 340, 341,
&end
#
# 18 ASN HD2+ 19 GLY HN 6.00 (# 1658:10 Unique 4.50, 5.52 A)
&rst
ixpk= 1658, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 302, 303,
&end
#
# 0 AMB 10-2:1659 19 GLY HN 5.00 (# 1659:10 Single Ambig)
&rst
ixpk= 1659, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 269, 263,
&end
#
# 0 AMB 10-2:1660 79 GLY HN 5.00 (# 1660:10 Single Ambig)
&rst
ixpk= 1660, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1278,1279,1297,
&end
#
# 77 ASP HB+ 79 GLY HN 6.00 (# 1661:10 Unique 2.38, 3.39 A)
&rst
ixpk= 1661, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1242,1243,
&end
#
# 89 ASP HB+ 52 ASN HD2+ 4.00 (# 1662:10 Unique 2.74, 4.93 A)
&rst
ixpk= 1662, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1419,1420,
igr2= 841, 842,
&end
#
# 53 GLU HG+ 52 ASN HD2+ 6.00 (# 1663:10 Unique 1.91, 3.87 A)
&rst
ixpk= 1663, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 853, 854,
igr2= 841, 842,
&end
#
# 5 GLN HB+ 2 LYS HN 4.00 (# 1664:10 Unique 4.08, 4.55 A)
&rst
ixpk= 1664, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 90, 91,
&end
#
# 0 AMB 10-2:1665 2 LYS HN 3.00 (# 1665:10 Single Ambig)
&rst
ixpk= 1665, nxpk= 10, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 25, 26, 8, 9,
&end
#
# 4 ARG HN 3 LEU HN 5.00 (# 1666:10 Unique 4.24, 4.58 A)
&rst
ixpk= 1666, nxpk= 10, iat= 62, 43, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 LEU HG 4 ARG HN 4.00 (# 1668:10 Unique 3.19, 4.22 A)
&rst
ixpk= 1668, nxpk= 10, iat=1945, 62, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 LYS HN 5 GLN HN 5.00 (# 1669:10 Unique 4.20, 4.92 A)
&rst
ixpk= 1669, nxpk= 10, iat= 21, 86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 LEU MDY 5 GLN HN 5.00 (# 1671:10 Unique 2.55, 5.30 A)
&rst
ixpk= 1671, nxpk= 10, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1947,1948,1949,1951,1952,1953,
&end
#
# 106 PHE HD 108 ASN HN 5.00 (# 1673:10 Unique 1.94, 4.14 A)
&rst
ixpk= 1673, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1671,1679,
&end
#
# 115 TYR HE 0 AMB 10-1:1674 5.00 (# 1674:10 Single Ambig)
&rst
ixpk= 1674, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1819,1824,
igr2= 148,1698,
&end
#
# 108 ASN HD2+ 108 ASN HN 5.00 (# 1675:10 Unique 3.55, 4.65 A)
&rst
ixpk= 1675, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1707,1708,
&end
#
# 10 LEU HA 10 LEU HN 4.00 (# 1676:10 Unique 2.78, 2.85 A)
&rst
ixpk= 1676, nxpk= 10, iat= 165, 163, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 LEU HB+ 10 LEU HN 4.00 (# 1678:10 Unique 2.12, 2.91 A)
&rst
ixpk= 1678, nxpk= 10, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 167, 168,
&end
#
# 0 AMB 10-2:1679 10 LEU HN 5.00 (# 1679:10 Single Ambig)
&rst
ixpk= 1679, nxpk= 10, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 188, 189, 190, 138, 139,
&end
#
# 10 LEU MDX 10 LEU HN 4.00 (# 1680:10 Unique 1.94, 3.82 A)
&rst
ixpk= 1680, nxpk= 10, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 172, 173, 174, 176, 177, 178,
&end
#
# 10 LEU MDY 10 LEU HN 5.00 (# 1681:10 Unique 1.94, 3.82 A)
&rst
ixpk= 1681, nxpk= 10, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 172, 173, 174, 176, 177, 178,
&end
#
# 67 VAL MGX 35 HIS HN 5.00 (# 1682:10 Unique 3.14, 6.13 A)
&rst
ixpk= 1682, nxpk= 10, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1087,1088,1089,1091,1092,1093,
&end
#
# 0 AMB 10-2:1683 35 HIS HN 5.00 (# 1683:10 Single Ambig)
&rst
ixpk= 1683, nxpk= 10, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 822, 823, 824, 826, 827, 828, 557, 558, 559,1497,
1498,1499, 172, 173, 174, 176, 177, 178,
&end
#
# 0 AMB 10-2:1684 35 HIS HN 5.00 (# 1684:10 Single Ambig)
&rst
ixpk= 1684, nxpk= 10, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 534, 535, 536, 538, 539, 540,1061,1062,1063,1065,
1066,1067,
&end
#
# 35 HIS HB+ 35 HIS HN 5.00 (# 1685:10 Unique 2.78, 3.55 A)
&rst
ixpk= 1685, nxpk= 10, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 567, 568,
&end
#
# 35 HIS HB- 35 HIS HN 5.00 (# 1686:10 Unique 2.78, 3.55 A)
&rst
ixpk= 1686, nxpk= 10, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 567, 568,
&end
#
# 35 HIS HA 35 HIS HN 4.00 (# 1687:10 Unique 2.89, 2.92 A)
&rst
ixpk= 1687, nxpk= 10, iat= 565, 563, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 67 VAL HN 35 HIS HN 4.00 (# 1688:10 Unique 3.79, 4.10 A)
&rst
ixpk= 1688, nxpk= 10, iat=1081, 563, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 ILE HG1+ 28 GLY HN 4.00 (# 1689:10 Unique 3.84, 4.70 A)
&rst
ixpk= 1689, nxpk= 10, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 444, 445,
&end
#
# 119 LYS HB+ 28 GLY HN 6.00 (# 1690:10 Unique 2.62, 4.25 A)
&rst
ixpk= 1690, nxpk= 10, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1882,1883,
&end
#
# 27 ILE HG1- 28 GLY HN 4.00 (# 1691:10 Unique 3.84, 4.70 A)
&rst
ixpk= 1691, nxpk= 10, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 444, 445,
&end
#
# 119 LYS HA 28 GLY HN 4.00 (# 1692:10 Unique 3.06, 3.79 A)
&rst
ixpk= 1692, nxpk= 10, iat=1880, 453, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 61 GLN HB- 61 GLN HE2- 5.00 (# 1693:10 Unique 1.95, 3.60 A)
&rst
ixpk= 1693, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 993, 994,
igr2=1001,1002,
&end
#
# 0 AMB 10-2:1695 0 AMB 10-1:1695 6.00 (# 1695:10 Double Ambig)
&rst
ixpk= 1695, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=2287,2288, 927, 928,
igr2=1001,1002,1001,1002,
&end
#
# 60 ASP HB- 61 GLN HE2+ 4.00 (# 1696:10 Unique 2.32, 4.97 A)
&rst
ixpk= 1696, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 981, 982,
igr2=1001,1002,
&end
#
# 61 GLN HA 61 GLN HE2+ 5.00 (# 1697:10 Unique 3.98, 5.22 A)
&rst
ixpk= 1697, nxpk= 10, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1001,1002,
&end
#
# 60 ASP HA 61 GLN HE2+ 6.00 (# 1698:10 Unique 4.86, 6.86 A)
&rst
ixpk= 1698, nxpk= 10, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1001,1002,
&end
#
# 38 SER HB- 40 SER HN 6.00 (# 1700:10 Unique 2.05, 3.08 A)
&rst
ixpk= 1700, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 628, 629,
&end
#
# 38 SER HB+ 40 SER HN 6.00 (# 1701:10 Unique 2.05, 3.08 A)
&rst
ixpk= 1701, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 628, 629,
&end
#
# 39 ILE HG1- 40 SER HN 4.00 (# 1702:10 Unique 2.61, 3.43 A)
&rst
ixpk= 1702, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 645, 646,
&end
#
# 39 ILE HG1+ 40 SER HN 6.00 (# 1703:10 Unique 2.61, 3.43 A)
&rst
ixpk= 1703, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 645, 646,
&end
#
# 39 ILE QG2 40 SER HN 6.00 (# 1704:10 Unique 4.15, 4.86 A)
&rst
ixpk= 1704, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 641, 642, 643,
&end
#
# 0 AMB 10-2:1705 40 SER HN 6.00 (# 1705:10 Single Ambig)
&rst
ixpk= 1705, nxpk= 10, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 648, 649, 650,1754,1755,1756,1758,1759,1760,
&end
#
# 84 THR HA 88 HIS HN 5.00 (# 1706:10 Unique 4.27, 4.72 A)
&rst
ixpk= 1706, nxpk= 10, iat=1351,1398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1708 88 HIS HN 6.00 (# 1708:10 Single Ambig)
&rst
ixpk= 1708, nxpk= 10, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1437,1438, 779, 780, 781,
&end
#
# 0 AMB 10-2:1709 32 THR HN 5.00 (# 1709:10 Single Ambig)
&rst
ixpk= 1709, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
&end
#
# 0 AMB 10-2:1710 32 THR HN 5.00 (# 1710:10 Single Ambig)
&rst
ixpk= 1710, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 128, 129, 130, 529, 530,1882,1883,
&end
#
# 117 PHE HB+ 32 THR HN 6.00 (# 1711:10 Unique 2.27, 3.25 A)
&rst
ixpk= 1711, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1850,1851,
&end
#
# 119 LYS HA 32 THR HN 6.00 (# 1712:10 Unique 3.92, 4.17 A)
&rst
ixpk= 1712, nxpk= 10, iat=1880, 511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 118 ASP HA 32 THR HN 5.00 (# 1713:10 Unique 4.01, 4.30 A)
&rst
ixpk= 1713, nxpk= 10, iat=1868, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 116 VAL HA 32 THR HN 5.00 (# 1715:10 Unique 4.58, 5.01 A)
&rst
ixpk= 1715, nxpk= 10, iat=1832, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 PHE HD 32 THR HN 5.00 (# 1716:10 Unique 3.64, 5.07 A)
&rst
ixpk= 1716, nxpk= 10, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1854,1862,
&end
#
# 0 AMB 10-2:1717 120 THR HN 4.00 (# 1717:10 Single Ambig)
&rst
ixpk= 1717, nxpk= 10, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1882,1883,1925,1926,
&end
#
# 0 AMB 10-2:1718 0 AMB 10-1:1718 6.00 (# 1718:10 Double Ambig)
&rst
ixpk= 1718, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2171,2172,2217,
igr2=2238,2239,2238,2239,
&end
#
# 144 LEU MDY 141 ASN HD2+ 6.00 (# 1719:10 Unique 3.19, 8.02 A)
&rst
ixpk= 1719, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2292,2293,2294,2296,2297,2298,
igr2=2238,2239,
&end
#
# 21 VAL MGX 25 GLN HE2- 5.00 (# 1720:10 Unique 2.51, 5.69 A)
&rst
ixpk= 1720, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 335, 336, 337, 339, 340, 341,
igr2= 410, 411,
&end
#
# 0 AMB 10-2:1721 25 GLN HE2- 4.00 (# 1721:10 Single Ambig)
&rst
ixpk= 1721, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 390, 391, 402, 403,
igr2= 410, 411,
&end
#
# 25 GLN HB+ 25 GLN HE2- 5.00 (# 1722:10 Unique 1.95, 3.88 A)
&rst
ixpk= 1722, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 402, 403,
igr2= 410, 411,
&end
#
# 25 GLN HA 25 GLN HE2- 5.00 (# 1723:10 Unique 3.66, 5.14 A)
&rst
ixpk= 1723, nxpk= 10, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 410, 411,
&end
#
# 0 AMB 10-2:1724 22 THR HN 5.00 (# 1724:10 Single Ambig)
&rst
ixpk= 1724, nxpk= 10, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 400, 417,
&end
#
# 5 GLN HB+ 5 GLN HE2- 6.00 (# 1727:10 Unique 1.82, 3.84 A)
&rst
ixpk= 1727, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 90, 91,
igr2= 98, 99,
&end
#
# 5 GLN HB- 5 GLN HE2- 5.00 (# 1728:10 Unique 1.82, 3.84 A)
&rst
ixpk= 1728, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 90, 91,
igr2= 98, 99,
&end
#
# 0 AMB 10-2:1729 5 GLN HE2- 6.00 (# 1729:10 Single Ambig)
&rst
ixpk= 1729, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 138, 139, 28, 29,
igr2= 98, 99,
&end
#
# 76 LEU MDX 72 SER HN 6.00 (# 1730:10 Unique 4.19, 6.94 A)
&rst
ixpk= 1730, nxpk= 10, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1228,1229,1230,1232,1233,1234,
&end
#
# 71 ARG HG- 72 SER HN 6.00 (# 1731:10 Unique 4.18, 5.02 A)
&rst
ixpk= 1731, nxpk= 10, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1152,1153,
&end
#
# 47 ALA MB 50 GLN HE2+ 6.00 (# 1732:10 Unique 3.74, 5.98 A)
&rst
ixpk= 1732, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 762, 763, 764,
igr2= 811, 812,
&end
#
# 0 AMB 10-2:1733 0 AMB 10-1:1733 6.00 (# 1733:10 Double Ambig)
&rst
ixpk= 1733, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=2088,2089,2090, 779, 780, 781,
igr2= 811, 812, 811, 812,
&end
#
# 115 TYR HE 36 PHE HN 6.00 (# 1734:10 Unique 2.39, 5.38 A)
&rst
ixpk= 1734, nxpk= 10, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1819,1824,
&end
#
# 112 PRO HD+ 44 CYSS HN 4.00 (# 1735:10 Unique 4.28, 5.28 A)
&rst
ixpk= 1735, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1765,1766,
&end
#
# 41 CYSS HA 45 LYS HN 6.00 (# 1736:10 Unique 5.25, 5.80 A)
&rst
ixpk= 1736, nxpk= 10, iat= 667, 721, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 LYS HE+ 45 LYS HN 6.00 (# 1737:10 Unique 3.65, 4.60 A)
&rst
ixpk= 1737, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 734, 735,
&end
#
# 44 CYSS HB+ 45 LYS HN 4.00 (# 1738:10 Unique 2.53, 3.74 A)
&rst
ixpk= 1738, nxpk= 10, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 715, 716,
&end
#
# 46 GLU HN 48 MET HN 6.00 (# 1740:10 Unique 3.53, 3.92 A)
&rst
ixpk= 1740, nxpk= 10, iat= 743, 768, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 GLU HA 48 MET HN 5.00 (# 1741:10 Unique 3.49, 3.66 A)
&rst
ixpk= 1741, nxpk= 10, iat= 745, 768, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1742 48 MET HN 5.00 (# 1742:10 Single Ambig)
&rst
ixpk= 1742, nxpk= 10, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 792, 793, 731, 732,
&end
#
# 55 ARG HN 53 GLU HN 6.00 (# 1743:10 Unique 3.10, 3.47 A)
&rst
ixpk= 1743, nxpk= 10, iat= 881, 846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 ASN HD2+ 53 GLU HN 4.00 (# 1744:10 Unique 1.88, 3.26 A)
&rst
ixpk= 1744, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 841, 842,
&end
#
# 0 AMB 10-2:1745 53 GLU HN 6.00 (# 1745:10 Single Ambig)
&rst
ixpk= 1745, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 863, 770,
&end
#
# 51 VAL HA 53 GLU HN 5.00 (# 1746:10 Unique 3.78, 3.96 A)
&rst
ixpk= 1746, nxpk= 10, iat= 818, 846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 PHE HB+ 53 GLU HN 6.00 (# 1747:10 Unique 3.73, 4.53 A)
&rst
ixpk= 1747, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 865, 866,
&end
#
# 51 VAL MGX 53 GLU HN 6.00 (# 1748:10 Unique 4.88, 6.19 A)
&rst
ixpk= 1748, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 54 PHE HA 56 ASP HN 5.00 (# 1749:10 Unique 4.00, 4.93 A)
&rst
ixpk= 1749, nxpk= 10, iat= 863, 905, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1751 83 GLU HN 6.00 (# 1751:10 Single Ambig)
&rst
ixpk= 1751, nxpk= 10, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 283, 284, 285, 287, 288, 289, 648, 649, 650,
&end
#
# 0 AMB 10-2:1752 0 AMB 10-1:1752 6.00 (# 1752:10 Double Ambig)
&rst
ixpk= 1752, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 701, 702, 703, 705, 706, 707,1228,1229,1230,1232,
1233,1234,
igr2= 743,1195,
&end
#
# 85 ALA HN 83 GLU HN 5.00 (# 1753:10 Unique 3.35, 3.92 A)
&rst
ixpk= 1753, nxpk= 10, iat=1363,1334, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 CYSS HN 46 GLU HN 4.00 (# 1754:10 Unique 3.67, 3.87 A)
&rst
ixpk= 1754, nxpk= 10, iat= 711, 743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 ILE HN 83 GLU HN 4.00 (# 1755:10 Unique 3.66, 4.02 A)
&rst
ixpk= 1755, nxpk= 10, iat=1293,1334, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1756 0 AMB 10-1:1756 4.00 (# 1756:10 Double Ambig)
&rst
ixpk= 1756, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 930, 931,2233,2234,
igr2= 861,2302,
&end
#
# 0 AMB 10-2:1757 56 ASP HN 6.00 (# 1757:10 Single Ambig)
&rst
ixpk= 1757, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 924, 925,1045,1046,1047,1049,1050,1051,
&end
#
# 65 VAL HN 64 VAL HN 5.00 (# 1758:10 Unique 4.09, 4.36 A)
&rst
ixpk= 1758, nxpk= 10, iat=1055,1039, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 ASN HN 64 VAL HN 5.00 (# 1759:10 Unique 4.03, 4.44 A)
&rst
ixpk= 1759, nxpk= 10, iat=1025,1039, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 LEU HN 65 VAL HN 5.00 (# 1760:10 Unique 3.42, 3.79 A)
&rst
ixpk= 1760, nxpk= 10, iat= 525,1055, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 VAL HN 65 VAL HN 5.00 (# 1761:10 Unique 4.09, 4.36 A)
&rst
ixpk= 1761, nxpk= 10, iat=1039,1055, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 HIS HD2 65 VAL HN 4.00 (# 1762:10 Unique 3.51, 4.03 A)
&rst
ixpk= 1762, nxpk= 10, iat= 576,1055, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 VAL HB 65 VAL HN 4.00 (# 1763:10 Unique 3.93, 4.32 A)
&rst
ixpk= 1763, nxpk= 10, iat=1043,1055, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 LEU HB+ 65 VAL HN 6.00 (# 1764:10 Unique 3.56, 4.66 A)
&rst
ixpk= 1764, nxpk= 10, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 529, 530,
&end
#
# 34 ILE QG2 65 VAL HN 6.00 (# 1765:10 Unique 4.02, 5.42 A)
&rst
ixpk= 1765, nxpk= 10, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 550, 551, 552,
&end
#
# 0 AMB 10-2:1766 65 VAL HN 5.00 (# 1766:10 Single Ambig)
&rst
ixpk= 1766, nxpk= 10, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 424, 425, 426, 428, 429, 430, 335, 336, 337, 339,
340, 341,
&end
#
# 0 AMB 10-2:1767 65 VAL HN 6.00 (# 1767:10 Single Ambig)
&rst
ixpk= 1767, nxpk= 10, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1= 424, 425, 426, 428, 429, 430,1015,1016,1017,1019,
1020,1021,1501,1502,
&end
#
# 74 ASP HA 76 LEU HN 4.00 (# 1768:10 Unique 3.50, 3.61 A)
&rst
ixpk= 1768, nxpk= 10, iat=1197,1219, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 77 ASP HB- 76 LEU HN 4.00 (# 1769:10 Unique 3.76, 4.75 A)
&rst
ixpk= 1769, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1242,1243,
&end
#
# 77 ASP HB+ 76 LEU HN 4.00 (# 1770:10 Unique 3.76, 4.75 A)
&rst
ixpk= 1770, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1242,1243,
&end
#
# 75 ASP HB- 76 LEU HN 5.00 (# 1771:10 Unique 3.19, 4.17 A)
&rst
ixpk= 1771, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1211,1212,
&end
#
# 52 ASN HB+ 91 THR HN 5.00 (# 1772:10 Unique 3.79, 4.76 A)
&rst
ixpk= 1772, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 836, 837,
&end
#
# 52 ASN HA 91 THR HN 6.00 (# 1773:10 Unique 2.52, 3.01 A)
&rst
ixpk= 1773, nxpk= 10, iat= 834,1446, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 THR HB 91 THR HN 4.00 (# 1774:10 Unique 3.63, 3.76 A)
&rst
ixpk= 1774, nxpk= 10, iat=1450,1446, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 LEU HN 2 LYS HN 5.00 (# 1780:10 Unique 4.25, 4.35 A)
&rst
ixpk= 1780, nxpk= 10, iat= 43, 21, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 LYS HN 3 LEU HN 5.00 (# 1781:10 Unique 4.25, 4.35 A)
&rst
ixpk= 1781, nxpk= 10, iat= 21, 43, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1782 23 ARG HN 6.00 (# 1782:10 Single Ambig)
&rst
ixpk= 1782, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 398, 345,
&end
#
# 10 LEU MDX 23 ARG HN 6.00 (# 1783:10 Unique 1.94, 4.85 A)
&rst
ixpk= 1783, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 172, 173, 174, 176, 177, 178,
&end
#
# 23 ARG HN 25 GLN HN 6.00 (# 1784:10 Unique 3.93, 4.15 A)
&rst
ixpk= 1784, nxpk= 10, iat= 359, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 LEU HN 32 THR HN 6.00 (# 1785:10 Unique 4.39, 4.49 A)
&rst
ixpk= 1785, nxpk= 10, iat= 525, 511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 117 PHE HE 34 ILE HN 4.00 (# 1786:10 Unique 2.00, 4.64 A)
&rst
ixpk= 1786, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1856,1860,
&end
#
# 117 PHE HD 34 ILE HN 5.00 (# 1787:10 Unique 2.80, 5.08 A)
&rst
ixpk= 1787, nxpk= 10, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1854,1862,
&end
#
# 34 ILE HB 35 HIS HN 6.00 (# 1788:10 Unique 3.79, 4.08 A)
&rst
ixpk= 1788, nxpk= 10, iat= 548, 563, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 ILE HN 40 SER HN 5.00 (# 1789:10 Unique 2.31, 2.59 A)
&rst
ixpk= 1789, nxpk= 10, iat= 635, 654, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 GLN HB+ 25 GLN HE2+ 5.00 (# 1790:10 Unique 1.95, 3.88 A)
&rst
ixpk= 1790, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 402, 403,
igr2= 410, 411,
&end
#
# 0 AMB 10-2:1791 0 AMB 10-1:1791 6.00 (# 1791:10 Double Ambig)
&rst
ixpk= 1791, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 390, 391, 402, 403,
igr2= 410, 411, 410, 411,
&end
#
# 22 THR MG2 25 GLN HE2+ 5.00 (# 1792:10 Unique 4.46, 6.49 A)
&rst
ixpk= 1792, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 351, 352, 353,
igr2= 410, 411,
&end
#
# 21 VAL MGX 25 GLN HE2+ 6.00 (# 1793:10 Unique 2.51, 5.69 A)
&rst
ixpk= 1793, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 335, 336, 337, 339, 340, 341,
igr2= 410, 411,
&end
#
# 25 GLN HA 25 GLN HE2+ 6.00 (# 1794:10 Unique 3.66, 5.14 A)
&rst
ixpk= 1794, nxpk= 10, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 410, 411,
&end
#
# 21 VAL HA 25 GLN HE2+ 6.00 (# 1795:10 Unique 2.40, 4.51 A)
&rst
ixpk= 1795, nxpk= 10, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 410, 411,
&end
#
# 113 ALA MB 129 GLY HN 5.00 (# 1796:10 Unique 3.23, 4.72 A)
&rst
ixpk= 1796, nxpk= 10, iat= -1,2045, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1782,1783,1784,
&end
#
# 0 AMB 10-2:1797 129 GLY HN 6.00 (# 1797:10 Single Ambig)
&rst
ixpk= 1797, nxpk= 10, iat= -1,2045, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 696, 697,2022,2023,
&end
#
# 110 TYR HN 109 GLU HN 4.00 (# 1799:10 Unique 1.62, 2.12 A)
&rst
ixpk= 1799, nxpk= 10, iat=1727,1712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 109 GLU HA 109 GLU HN 4.00 (# 1800:10 Unique 2.17, 2.75 A)
&rst
ixpk= 1800, nxpk= 10, iat=1714,1712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 109 GLU HG- 109 GLU HN 5.00 (# 1801:10 Unique 3.92, 4.62 A)
&rst
ixpk= 1801, nxpk= 10, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1719,1720,
&end
#
# 109 GLU HB- 109 GLU HN 4.00 (# 1802:10 Unique 2.25, 3.18 A)
&rst
ixpk= 1802, nxpk= 10, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1716,1717,
&end
#
# 102 LEU HG 102 LEU HN 5.00 (# 1803:10 Unique 2.20, 3.87 A)
&rst
ixpk= 1803, nxpk= 10, iat=1615,1608, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 ALA HA 102 LEU HN 4.00 (# 1804:10 Unique 3.49, 3.54 A)
&rst
ixpk= 1804, nxpk= 10, iat=1600,1608, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 118 ASP HN 124 ARG HN 6.00 (# 1805:10 Unique 3.15, 3.48 A)
&rst
ixpk= 1805, nxpk= 10, iat=1866,1957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 117 PHE HD 124 ARG HN 6.00 (# 1806:10 Unique 3.88, 5.19 A)
&rst
ixpk= 1806, nxpk= 10, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1854,1862,
&end
#
# 124 ARG HG+ 124 ARG HN 5.00 (# 1807:10 Unique 2.16, 3.72 A)
&rst
ixpk= 1807, nxpk= 10, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1964,1965,
&end
#
# 116 VAL HB 117 PHE HN 6.00 (# 1808:10 Unique 3.83, 4.29 A)
&rst
ixpk= 1808, nxpk= 10, iat=1834,1846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 10-2:1809 117 PHE HN 6.00 (# 1809:10 Single Ambig)
&rst
ixpk= 1809, nxpk= 10, iat= -1,1846, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 504, 505, 554, 555,
&end
#
# 0 AMB 10-2:1810 117 PHE HN 6.00 (# 1810:10 Single Ambig)
&rst
ixpk= 1810, nxpk= 10, iat= -1,1846, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 554, 555, 517, 518, 519,
&end
#
# 0 AMB 10-2:1811 117 PHE HN 6.00 (# 1811:10 Single Ambig)
&rst
ixpk= 1811, nxpk= 10, iat= -1,1846, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 534, 535, 536, 538, 539, 540,1010,1011,
&end
#
# 117 PHE HD 117 PHE HN 3.00 (# 1812:10 Unique 1.94, 3.67 A)
&rst
ixpk= 1812, nxpk= 10, iat= -1,1846, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1854,1862,
&end
#
# 119 LYS HA 30 LYS HN 4.00 (# 1813:10 Unique 3.89, 4.15 A)
&rst
ixpk= 1813, nxpk= 10, iat=1880, 475, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1814 30 LYS HN 4.00 (# 1814:10 Single Ambig)
&rst
ixpk= 1814, nxpk= 10, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 436, 498, 499,
&end
#
# 117 PHE HE 123 LEU HN 4.00 (# 1815:10 Unique 3.52, 5.74 A)
&rst
ixpk= 1815, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1856,1860,
&end
#
# 0 AMB 10-2:1816 123 LEU HN 4.00 (# 1816:10 Single Ambig)
&rst
ixpk= 1816, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 86, 98, 99,
&end
#
# 122 GLN HN 123 LEU HN 5.00 (# 1817:10 Unique 4.18, 4.35 A)
&rst
ixpk= 1817, nxpk= 10, iat=1921,1938, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 116 VAL HN 117 PHE HN 6.00 (# 1818:10 Unique 4.15, 4.38 A)
&rst
ixpk= 1818, nxpk= 10, iat=1830,1846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 63 ASN HB+ 33 LEU HN 6.00 (# 1819:10 Unique 2.76, 3.62 A)
&rst
ixpk= 1819, nxpk= 10, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1029,1030,
&end
#
# 38 SER HB- 69 MET HN 4.00 (# 1820:10 Unique 2.23, 4.01 A)
&rst
ixpk= 1820, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 628, 629,
&end
#
# 69 MET HG- 69 MET HN 5.00 (# 1821:10 Unique 2.85, 4.13 A)
&rst
ixpk= 1821, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1121,1122,
&end
#
# 102 LEU HG 103 THR HN 6.00 (# 1825:10 Unique 2.39, 5.03 A)
&rst
ixpk= 1825, nxpk= 10, iat=1615,1627, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 101 ALA MB 103 THR HN 6.00 (# 1826:10 Unique 4.84, 5.44 A)
&rst
ixpk= 1826, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1602,1603,1604,
&end
#
# 108 ASN HB- 103 THR HN 6.00 (# 1827:10 Unique 3.07, 6.06 A)
&rst
ixpk= 1827, nxpk= 10, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1702,1703,
&end
#
# 67 VAL MGY 67 VAL HN 6.00 (# 1828:10 Unique 1.93, 4.11 A)
&rst
ixpk= 1828, nxpk= 10, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1087,1088,1089,1091,1092,1093,
&end
#
# 0 AMB 10-2:1829 67 VAL HN 5.00 (# 1829:10 Single Ambig)
&rst
ixpk= 1829, nxpk= 10, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 550, 551, 552,1433,1434,1435,
&end
#
# 0 AMB 10-2:1830 0 AMB 10-1:1830 5.00 (# 1830:10 Double Ambig)
&rst
ixpk= 1830, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 440, 441, 442,1497,1498,1499,
igr2= 460,1081,
&end
#
# 0 AMB 10-2:1831 52 ASN HN 5.00 (# 1831:10 Single Ambig)
&rst
ixpk= 1831, nxpk= 10, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 803, 804, 806, 807, 806, 807,1467,1468, 772, 773,
&end
#
# 53 GLU HG+ 52 ASN HN 5.00 (# 1832:10 Unique 2.92, 4.05 A)
&rst
ixpk= 1832, nxpk= 10, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 853, 854,
&end
#
# 50 GLN HA 52 ASN HN 5.00 (# 1833:10 Unique 3.37, 3.67 A)
&rst
ixpk= 1833, nxpk= 10, iat= 801, 832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 ASN HD2- 52 ASN HN 5.00 (# 1834:10 Unique 1.83, 3.55 A)
&rst
ixpk= 1834, nxpk= 10, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 841, 842,
&end
#
# 55 ARG HN 52 ASN HN 6.00 (# 1835:10 Unique 4.33, 4.74 A)
&rst
ixpk= 1835, nxpk= 10, iat= 881, 832, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 136 LEU MDX 114 TYR HN 6.00 (# 1836:10 Unique 3.78, 6.22 A)
&rst
ixpk= 1836, nxpk= 10, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2142,2143,2144,2146,2147,2148,
&end
#
# 32 THR HG1 0 AMB 10-1:1837 5.00 (# 1837:10 Single Ambig)
&rst
ixpk= 1837, nxpk= 10, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1034,1035, 434,
&end
#
# 32 THR HG1 63 ASN HD2+ 4.00 (# 1838:10 Unique 2.39, 3.29 A)
&rst
ixpk= 1838, nxpk= 10, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1034,1035,
&end
#
# 32 THR HA 63 ASN HD2+ 6.00 (# 1839:10 Unique 1.92, 3.28 A)
&rst
ixpk= 1839, nxpk= 10, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1034,1035,
&end
#
# 32 THR HA 63 ASN HD2- 5.00 (# 1840:10 Unique 1.92, 3.28 A)
&rst
ixpk= 1840, nxpk= 10, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1034,1035,
&end
#
# 63 ASN HA 63 ASN HD2- 6.00 (# 1841:10 Unique 3.87, 4.37 A)
&rst
ixpk= 1841, nxpk= 10, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1034,1035,
&end
#
# 63 ASN HA 63 ASN HD2+ 6.00 (# 1842:10 Unique 3.87, 4.37 A)
&rst
ixpk= 1842, nxpk= 10, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1034,1035,
&end
#
# 63 ASN HB+ 63 ASN HD2- 4.00 (# 1843:10 Unique 2.10, 3.26 A)
&rst
ixpk= 1843, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1029,1030,
igr2=1034,1035,
&end
#
# 63 ASN HB- 63 ASN HD2- 4.00 (# 1844:10 Unique 2.10, 3.26 A)
&rst
ixpk= 1844, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1029,1030,
igr2=1034,1035,
&end
#
# 117 PHE HB+ 63 ASN HD2+ 6.00 (# 1845:10 Unique 5.52, 7.36 A)
&rst
ixpk= 1845, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1850,1851,
igr2=1034,1035,
&end
#
# 63 ASN HB+ 63 ASN HD2+ 4.00 (# 1846:10 Unique 2.10, 3.26 A)
&rst
ixpk= 1846, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1029,1030,
igr2=1034,1035,
&end
#
# 30 LYS HB+ 63 ASN HD2+ 4.00 (# 1847:10 Unique 2.59, 4.07 A)
&rst
ixpk= 1847, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 479, 480,
igr2=1034,1035,
&end
#
# 0 AMB 10-2:1848 0 AMB 10-1:1848 4.00 (# 1848:10 Double Ambig)
&rst
ixpk= 1848, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 422, 363, 364,
igr2=1034,1035,1034,1035,
&end
#
# 32 THR MG2 63 ASN HD2+ 5.00 (# 1850:10 Unique 2.85, 5.02 A)
&rst
ixpk= 1850, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 517, 518, 519,
igr2=1034,1035,
&end
#
# 65 VAL MGX 63 ASN HD2+ 5.00 (# 1851:10 Unique 5.33, 7.85 A)
&rst
ixpk= 1851, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1061,1062,1063,1065,1066,1067,
igr2=1034,1035,
&end
#
# 0 AMB 10-2:1852 0 AMB 10-1:1852 5.00 (# 1852:10 Double Ambig)
&rst
ixpk= 1852, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=2219,2220,2221,2223,2224,2225, 924, 925,
igr2=2152, 881,
&end
#
# 136 LEU MDX 137 GLU HN 4.00 (# 1853:10 Unique 2.66, 5.23 A)
&rst
ixpk= 1853, nxpk= 10, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2142,2143,2144,2146,2147,2148,
&end
#
# 136 LEU MDX 139 ARG HN 5.00 (# 1854:10 Unique 3.32, 5.31 A)
&rst
ixpk= 1854, nxpk= 10, iat= -1,2189, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2142,2143,2144,2146,2147,2148,
&end
#
# 140 VAL MGX 139 ARG HN 5.00 (# 1855:10 Unique 3.72, 6.06 A)
&rst
ixpk= 1855, nxpk= 10, iat= -1,2189, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2219,2220,2221,2223,2224,2225,
&end
#
# 51 VAL MGX 92 GLN HE2- 4.00 (# 1856:10 Unique 1.91, 4.08 A)
&rst
ixpk= 1856, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 822, 823, 824, 826, 827, 828,
igr2=1472,1473,
&end
#
# 91 THR MG2 89 ASP HN 6.00 (# 1857:10 Unique 5.32, 6.38 A)
&rst
ixpk= 1857, nxpk= 10, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1452,1453,1454,
&end
#
# 90 ILE HG1- 89 ASP HN 5.00 (# 1858:10 Unique 2.29, 3.06 A)
&rst
ixpk= 1858, nxpk= 10, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1437,1438,
&end
#
# 85 ALA MB 89 ASP HN 5.00 (# 1859:10 Unique 4.68, 5.99 A)
&rst
ixpk= 1859, nxpk= 10, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1367,1368,1369,
&end
#
# 90 ILE HB 89 ASP HN 5.00 (# 1860:10 Unique 3.83, 4.73 A)
&rst
ixpk= 1860, nxpk= 10, iat=1431,1415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1861 89 ASP HN 5.00 (# 1861:10 Single Ambig)
&rst
ixpk= 1861, nxpk= 10, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1387,1388, 820,
&end
#
# 88 HIS HB+ 89 ASP HN 4.00 (# 1862:10 Unique 2.09, 2.64 A)
&rst
ixpk= 1862, nxpk= 10, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1402,1403,
&end
#
# 0 AMB 10-2:1863 89 ASP HN 5.00 (# 1863:10 Single Ambig)
&rst
ixpk= 1863, nxpk= 10, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1387,1388,1467,1468,
&end
#
# 88 HIS HB- 89 ASP HN 4.00 (# 1864:10 Unique 2.09, 2.64 A)
&rst
ixpk= 1864, nxpk= 10, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1402,1403,
&end
#
# 83 GLU HB+ 84 THR HN 5.00 (# 1865:10 Unique 2.47, 2.99 A)
&rst
ixpk= 1865, nxpk= 10, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1338,1339,
&end
#
# 102 LEU HA 106 PHE HN 5.00 (# 1867:10 Unique 3.88, 4.17 A)
&rst
ixpk= 1867, nxpk= 10, iat=1610,1663, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 ASP HA 106 PHE HN 5.00 (# 1868:10 Unique 4.89, 5.14 A)
&rst
ixpk= 1868, nxpk= 10, iat=1643,1663, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 GLN HB- 56 ASP HN 5.00 (# 1869:10 Unique 3.89, 5.01 A)
&rst
ixpk= 1869, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 964, 965,
&end
#
# 0 AMB 10-2:1870 56 ASP HN 6.00 (# 1870:10 Single Ambig)
&rst
ixpk= 1870, nxpk= 10, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 964, 965, 967, 968, 853, 854,
&end
#
# 0 AMB 10-2:1871 0 AMB 10-1:1871 4.00 (# 1871:10 Double Ambig)
&rst
ixpk= 1871, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1727,1698,
igr2=1707,1708,1707,1708,
&end
#
# 110 TYR HN 108 ASN HD2- 4.00 (# 1872:10 Unique 2.52, 4.06 A)
&rst
ixpk= 1872, nxpk= 10, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1707,1708,
&end
#
# 108 ASN HA 108 ASN HD2+ 6.00 (# 1874:10 Unique 1.74, 2.76 A)
&rst
ixpk= 1874, nxpk= 10, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1707,1708,
&end
#
# 36 PHE HD 108 ASN HD2- 5.00 (# 1876:10 Unique 1.93, 5.88 A)
&rst
ixpk= 1876, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 588, 596,
igr2=1707,1708,
&end
#
# 115 TYR HE 108 ASN HD2- 6.00 (# 1877:10 Unique 5.93, 9.35 A)
&rst
ixpk= 1877, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1819,1824,
igr2=1707,1708,
&end
#
# 115 TYR HE 108 ASN HD2+ 6.00 (# 1878:10 Unique 5.93, 9.35 A)
&rst
ixpk= 1878, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1819,1824,
igr2=1707,1708,
&end
#
# 0 AMB 10-2:1881 0 AMB 10-1:1881 5.00 (# 1881:10 Double Ambig)
&rst
ixpk= 1881, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 88, 23,
igr2= 98, 99, 98, 99,
&end
#
# 0 AMB 10-2:1888 18 ASN HD2- 5.00 (# 1888:10 Single Ambig)
&rst
ixpk= 1888, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 295,1450,
igr2= 302, 303,
&end
#
# 94 ILE HG1+ 18 ASN HD2- 5.00 (# 1889:10 Unique 2.13, 4.08 A)
&rst
ixpk= 1889, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1501,1502,
igr2= 302, 303,
&end
#
# 90 ILE QG2 18 ASN HD2- 6.00 (# 1890:10 Unique 1.92, 5.70 A)
&rst
ixpk= 1890, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1433,1434,1435,
igr2= 302, 303,
&end
#
# 94 ILE HG1- 18 ASN HD2- 6.00 (# 1891:10 Unique 2.13, 4.08 A)
&rst
ixpk= 1891, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1501,1502,
igr2= 302, 303,
&end
#
# 0 AMB 10-2:1892 18 ASN HD2- 6.00 (# 1892:10 Single Ambig)
&rst
ixpk= 1892, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1367,1368,1369, 885, 886,
igr2= 302, 303,
&end
#
# 56 ASP HA 58 TYR HN 5.00 (# 1893:10 Unique 3.79, 4.53 A)
&rst
ixpk= 1893, nxpk= 10, iat= 907, 939, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 GLN HB- 58 TYR HN 5.00 (# 1894:10 Unique 3.63, 4.72 A)
&rst
ixpk= 1894, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 964, 965,
&end
#
# 146 GLU HG+ 147 THR HN 5.00 (# 1895:10 Unique 1.89, 3.87 A)
&rst
ixpk= 1895, nxpk= 10, iat= -1,2327, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2319,2320,
&end
#
# 146 GLU HG- 147 THR HN 5.00 (# 1896:10 Unique 1.89, 3.87 A)
&rst
ixpk= 1896, nxpk= 10, iat= -1,2327, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2319,2320,
&end
#
# 30 LYS HN 28 GLY HN 5.00 (# 1900:10 Unique 3.20, 3.63 A)
&rst
ixpk= 1900, nxpk= 10, iat= 475, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 PHE HE 12 GLY HN 6.00 (# 1902:10 Unique 2.12, 7.00 A)
&rst
ixpk= 1902, nxpk= 10, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1520,1524,
&end
#
# 62 LEU MDY 33 LEU HN 4.00 (# 1905:10 Unique 1.95, 4.20 A)
&rst
ixpk= 1905, nxpk= 10, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1015,1016,1017,1019,1020,1021,
&end
#
# 0 AMB 10-2:1906 33 LEU HN 5.00 (# 1906:10 Single Ambig)
&rst
ixpk= 1906, nxpk= 10, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 557, 558, 559,1836,1837,1838,1840,1841,1842,
&end
#
# 0 AMB 10-2:1907 33 LEU HN 4.00 (# 1907:10 Single Ambig)
&rst
ixpk= 1907, nxpk= 10, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1061,1062,1063,1065,1066,1067, 534, 535, 536, 538,
539, 540,
&end
#
# 65 VAL HN 33 LEU HN 4.00 (# 1908:10 Unique 3.42, 3.79 A)
&rst
ixpk= 1908, nxpk= 10, iat=1055, 525, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 59 GLN HN 57 LYS HN 5.00 (# 1910:10 Unique 3.21, 3.59 A)
&rst
ixpk= 1910, nxpk= 10, iat= 960, 917, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 THR HB 104 ASP HN 5.00 (# 1914:10 Unique 3.04, 3.77 A)
&rst
ixpk= 1914, nxpk= 10, iat=1631,1641, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 THR HN 104 ASP HN 4.00 (# 1915:10 Unique 2.67, 2.80 A)
&rst
ixpk= 1915, nxpk= 10, iat=1627,1641, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 56 ASP HN 58 TYR HN 4.00 (# 1916:10 Unique 3.73, 4.56 A)
&rst
ixpk= 1916, nxpk= 10, iat= 905, 939, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1917 58 TYR HN 6.00 (# 1917:10 Single Ambig)
&rst
ixpk= 1917, nxpk= 10, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 881, 989,
&end
#
# 58 TYR HB- 59 GLN HN 4.00 (# 1918:10 Unique 3.00, 4.07 A)
&rst
ixpk= 1918, nxpk= 10, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 943, 944,
&end
#
# 11 THR HA 11 THR HN 5.00 (# 1919:10 Unique 2.91, 2.92 A)
&rst
ixpk= 1919, nxpk= 10, iat= 184, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 LYS HB+ 59 GLN HN 5.00 (# 1920:10 Unique 4.43, 5.21 A)
&rst
ixpk= 1920, nxpk= 10, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 921, 922,
&end
#
# 0 AMB 10-2:1921 0 AMB 10-1:1921 3.00 (# 1921:10 Double Ambig)
&rst
ixpk= 1921, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1195,2283,
igr2=1207,2267,
&end
#
# 141 ASN HN 143 VAL HN 6.00 (# 1922:10 Unique 4.48, 4.82 A)
&rst
ixpk= 1922, nxpk= 10, iat=2229,2267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 140 VAL HN 143 VAL HN 6.00 (# 1923:10 Unique 4.55, 4.78 A)
&rst
ixpk= 1923, nxpk= 10, iat=2213,2267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 ILE QG2 81 ILE HN 5.00 (# 1924:10 Unique 4.46, 5.59 A)
&rst
ixpk= 1924, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 641, 642, 643,
&end
#
# 0 AMB 10-2:1925 81 ILE HN 6.00 (# 1925:10 Single Ambig)
&rst
ixpk= 1925, nxpk= 10, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 283, 284, 285, 287, 288, 289,1536,1537,1538,1540,
1541,1542,
&end
#
# 79 GLY HN 81 ILE HN 6.00 (# 1926:10 Unique 3.45, 3.60 A)
&rst
ixpk= 1926, nxpk= 10, iat=1264,1293, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 80 LYS HA 83 GLU HN 3.00 (# 1927:10 Unique 3.06, 3.42 A)
&rst
ixpk= 1927, nxpk= 10, iat=1273,1334, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 86 ALA HN 84 THR HN 5.00 (# 1928:10 Unique 3.65, 3.92 A)
&rst
ixpk= 1928, nxpk= 10, iat=1373,1349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 139 ARG HN 141 ASN HN 4.00 (# 1929:10 Unique 4.26, 4.83 A)
&rst
ixpk= 1929, nxpk= 10, iat=2189,2229, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 123 LEU HN 122 GLN HN 5.00 (# 1930:10 Unique 4.18, 4.35 A)
&rst
ixpk= 1930, nxpk= 10, iat=1938,1921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 PHE HD 122 GLN HN 4.00 (# 1931:10 Unique 2.95, 5.30 A)
&rst
ixpk= 1931, nxpk= 10, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1854,1862,
&end
#
# 117 PHE HA 122 GLN HN 5.00 (# 1932:10 Unique 3.72, 3.89 A)
&rst
ixpk= 1932, nxpk= 10, iat=1848,1921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 LEU HA 122 GLN HN 5.00 (# 1933:10 Unique 4.65, 4.77 A)
&rst
ixpk= 1933, nxpk= 10, iat=1940,1921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 THR MG2 122 GLN HN 5.00 (# 1934:10 Unique 2.30, 3.70 A)
&rst
ixpk= 1934, nxpk= 10, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1906,1907,1908,
&end
#
# 0 AMB 10-2:1935 0 AMB 10-1:1935 5.00 (# 1935:10 Double Ambig)
&rst
ixpk= 1935, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 128, 129, 130,1615,
igr2=1921,1683,
&end
#
# 0 AMB 10-2:1936 0 AMB 10-1:1936 6.00 (# 1936:10 Double Ambig)
&rst
ixpk= 1936, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 447, 448, 449,1617,1618,1619,1621,1622,1623,
igr2=1921,1683,
&end
#
# 0 AMB 10-2:1937 0 AMB 10-1:1937 6.00 (# 1937:10 Double Ambig)
&rst
ixpk= 1937, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 440, 441, 442,1947,1948,1949,1951,1952,1953, 648,
649, 650,
igr2=1921,1373,
&end
#
# 0 AMB 10-2:1938 4 ARG HN 4.00 (# 1938:10 Single Ambig)
&rst
ixpk= 1938, nxpk= 10, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 66, 67,1925,1926,1928,1929,
&end
#
# 0 AMB 10-2:1939 12 GLY HN 5.00 (# 1939:10 Single Ambig)
&rst
ixpk= 1939, nxpk= 10, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 167, 168,1602,1603,1604,
&end
#
# 17 LEU HN 19 GLY HN 6.00 (# 1940:10 Unique 2.41, 3.38 A)
&rst
ixpk= 1940, nxpk= 10, iat= 274, 307, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 ILE HN 19 GLY HN 5.00 (# 1941:10 Unique 2.71, 3.10 A)
&rst
ixpk= 1941, nxpk= 10, iat=1491, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 ILE HB 19 GLY HN 5.00 (# 1942:10 Unique 4.50, 4.93 A)
&rst
ixpk= 1942, nxpk= 10, iat=1495, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 VAL HN 20 GLU HN 4.00 (# 1943:10 Unique 2.30, 4.23 A)
&rst
ixpk= 1943, nxpk= 10, iat= 329, 314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 GLU HB- 20 GLU HN 3.00 (# 1944:10 Unique 2.07, 3.07 A)
&rst
ixpk= 1944, nxpk= 10, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 318, 319,
&end
#
# 28 GLY HN 27 ILE HN 5.00 (# 1945:10 Unique 3.87, 4.57 A)
&rst
ixpk= 1945, nxpk= 10, iat= 453, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 ASN HD2+ 27 ILE HN 4.00 (# 1946:10 Unique 3.95, 4.99 A)
&rst
ixpk= 1946, nxpk= 10, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1034,1035,
&end
#
# 0 AMB 10-2:1947 27 ILE HN 5.00 (# 1947:10 Single Ambig)
&rst
ixpk= 1947, nxpk= 10, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 402, 403, 387, 388,
&end
#
# 87 GLU HN 85 ALA HN 4.00 (# 1948:10 Unique 3.68, 3.89 A)
&rst
ixpk= 1948, nxpk= 10, iat=1383,1363, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:1950 85 ALA HN 5.00 (# 1950:10 Single Ambig)
&rst
ixpk= 1950, nxpk= 10, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1375,1273,
&end
#
# 83 GLU HA 85 ALA HN 5.00 (# 1951:10 Unique 4.08, 4.58 A)
&rst
ixpk= 1951, nxpk= 10, iat=1336,1363, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 81 ILE HA 85 ALA HN 5.00 (# 1953:10 Unique 2.40, 2.98 A)
&rst
ixpk= 1953, nxpk= 10, iat=1295,1363, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1954 85 ALA HN 5.00 (# 1954:10 Single Ambig)
&rst
ixpk= 1954, nxpk= 10, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 639,1338,1339,
&end
#
# 39 ILE QG2 85 ALA HN 4.00 (# 1955:10 Unique 3.07, 4.39 A)
&rst
ixpk= 1955, nxpk= 10, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 641, 642, 643,
&end
#
# 17 LEU MDY 85 ALA HN 6.00 (# 1956:10 Unique 3.01, 5.58 A)
&rst
ixpk= 1956, nxpk= 10, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 283, 284, 285, 287, 288, 289,
&end
#
# 17 LEU MDX 85 ALA HN 5.00 (# 1957:10 Unique 3.01, 5.58 A)
&rst
ixpk= 1957, nxpk= 10, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 283, 284, 285, 287, 288, 289,
&end
#
# 81 ILE QG2 85 ALA HN 5.00 (# 1958:10 Unique 2.59, 4.34 A)
&rst
ixpk= 1958, nxpk= 10, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1299,1300,1301,
&end
#
# 90 ILE QD1 85 ALA HN 5.00 (# 1959:10 Unique 4.33, 5.56 A)
&rst
ixpk= 1959, nxpk= 10, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1440,1441,1442,
&end
#
# 0 AMB 10-2:1962 84 THR HN 5.00 (# 1962:10 Single Ambig)
&rst
ixpk= 1962, nxpk= 10, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1314,1365,
&end
#
# 139 ARG HA 141 ASN HN 5.00 (# 1963:10 Unique 4.43, 4.98 A)
&rst
ixpk= 1963, nxpk= 10, iat=2191,2229, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1964 141 ASN HN 6.00 (# 1964:10 Single Ambig)
&rst
ixpk= 1964, nxpk= 10, iat= -1,2229, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2245,2285,
&end
#
# 0 AMB 10-2:1965 84 THR HN 5.00 (# 1965:10 Single Ambig)
&rst
ixpk= 1965, nxpk= 10, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1281,1282,1322,1323,
&end
#
# 87 GLU HG- 88 HIS HN 5.00 (# 1966:10 Unique 2.82, 5.11 A)
&rst
ixpk= 1966, nxpk= 10, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1390,1391,
&end
#
# 85 ALA MB 88 HIS HN 5.00 (# 1967:10 Unique 4.67, 5.15 A)
&rst
ixpk= 1967, nxpk= 10, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1367,1368,1369,
&end
#
# 90 ILE HG1+ 88 HIS HN 5.00 (# 1968:10 Unique 3.68, 4.47 A)
&rst
ixpk= 1968, nxpk= 10, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1437,1438,
&end
#
# 92 GLN HA 91 THR HN 5.00 (# 1969:10 Unique 4.38, 4.57 A)
&rst
ixpk= 1969, nxpk= 10, iat=1462,1446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1973 95 PHE HN 6.00 (# 1973:10 Single Ambig)
&rst
ixpk= 1973, nxpk= 10, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1495,1059,
&end
#
# 102 LEU HN 101 ALA HN 5.00 (# 1974:10 Unique 2.68, 2.80 A)
&rst
ixpk= 1974, nxpk= 10, iat=1608,1598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1975 116 VAL HN 4.00 (# 1975:10 Single Ambig)
&rst
ixpk= 1975, nxpk= 10, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1957,1809,
&end
#
# 31 PRO HA 119 LYS HN 4.00 (# 1976:10 Unique 3.03, 3.16 A)
&rst
ixpk= 1976, nxpk= 10, iat= 507,1878, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 120 THR MG2 119 LYS HN 4.00 (# 1977:10 Unique 4.64, 5.89 A)
&rst
ixpk= 1977, nxpk= 10, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1906,1907,1908,
&end
#
# 121 GLY HA- 120 THR HN 5.00 (# 1978:10 Unique 3.94, 4.64 A)
&rst
ixpk= 1978, nxpk= 10, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1916,1917,
&end
#
# 119 LYS HE+ 120 THR HN 6.00 (# 1979:10 Unique 2.88, 4.54 A)
&rst
ixpk= 1979, nxpk= 10, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1891,1892,
&end
#
# 0 AMB 10-2:1980 120 THR HN 6.00 (# 1980:10 Single Ambig)
&rst
ixpk= 1980, nxpk= 10, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1925,1926,1928,1929,
&end
#
# 0 AMB 10-2:1981 123 LEU HN 5.00 (# 1981:10 Single Ambig)
&rst
ixpk= 1981, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1866, 117,
&end
#
# 4 ARG HN 123 LEU HN 5.00 (# 1982:10 Unique 3.48, 3.85 A)
&rst
ixpk= 1982, nxpk= 10, iat= 62,1938, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 ARG HN 123 LEU HN 6.00 (# 1983:10 Unique 4.29, 4.40 A)
&rst
ixpk= 1983, nxpk= 10, iat=1957,1938, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 122 GLN HG- 123 LEU HN 5.00 (# 1984:10 Unique 3.06, 4.27 A)
&rst
ixpk= 1984, nxpk= 10, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1928,1929,
&end
#
# 127 GLN HN 126 PHE HN 5.00 (# 1985:10 Unique 4.15, 4.31 A)
&rst
ixpk= 1985, nxpk= 10, iat=2018,1998, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 HIS HN 126 PHE HN 5.00 (# 1986:10 Unique 4.15, 4.33 A)
&rst
ixpk= 1986, nxpk= 10, iat=1981,1998, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 HIS HB+ 126 PHE HN 4.00 (# 1987:10 Unique 2.42, 3.77 A)
&rst
ixpk= 1987, nxpk= 10, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1985,1986,
&end
#
# 142 ARG HN 140 VAL HN 4.00 (# 1988:10 Unique 3.43, 3.58 A)
&rst
ixpk= 1988, nxpk= 10, iat=2243,2213, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 138 LYS HN 140 VAL HN 5.00 (# 1989:10 Unique 3.47, 3.73 A)
&rst
ixpk= 1989, nxpk= 10, iat=2167,2213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 141 ASN HA 140 VAL HN 5.00 (# 1992:10 Unique 5.16, 5.31 A)
&rst
ixpk= 1992, nxpk= 10, iat=2231,2213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 138 LYS HA 140 VAL HN 5.00 (# 1993:10 Unique 3.58, 3.86 A)
&rst
ixpk= 1993, nxpk= 10, iat=2169,2213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 LEU HA 140 VAL HN 5.00 (# 1994:10 Unique 3.65, 4.17 A)
&rst
ixpk= 1994, nxpk= 10, iat=2135,2213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:1995 140 VAL HN 5.00 (# 1995:10 Single Ambig)
&rst
ixpk= 1995, nxpk= 10, iat= -1,2213, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2233,2234,2199,2200,
&end
#
# 0 AMB 10-2:1996 140 VAL HN 5.00 (# 1996:10 Single Ambig)
&rst
ixpk= 1996, nxpk= 10, iat= -1,2213, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2199,2200,1792,1793,
&end
#
# 141 ASN HB+ 140 VAL HN 6.00 (# 1997:10 Unique 4.38, 5.63 A)
&rst
ixpk= 1997, nxpk= 10, iat= -1,2213, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2233,2234,
&end
#
# 0 AMB 10-2:1998 140 VAL HN 5.00 (# 1998:10 Single Ambig)
&rst
ixpk= 1998, nxpk= 10, iat= -1,2213, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=2159,2160,2156,2157,2127,2128,2129,
&end
#
# 0 AMB 10-2:1999 140 VAL HN 4.00 (# 1999:10 Single Ambig)
&rst
ixpk= 1999, nxpk= 10, iat= -1,2213, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2196,2197,2174,2175,
&end
#
# 0 AMB 10-2:2000 140 VAL HN 5.00 (# 2000:10 Single Ambig)
&rst
ixpk= 2000, nxpk= 10, iat= -1,2213, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 534, 535, 536, 538, 539, 540,2273,2274,2275,2277,
2278,2279,2273,2274,2275,2277,2278,2279,
&end
#
# 139 ARG HG- 140 VAL HN 5.00 (# 2001:10 Unique 4.03, 4.91 A)
&rst
ixpk= 2001, nxpk= 10, iat= -1,2213, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2196,2197,
&end
#
# 143 VAL HN 141 ASN HN 5.00 (# 2003:10 Unique 4.48, 4.82 A)
&rst
ixpk= 2003, nxpk= 10, iat=2267,2229, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 142 ARG HN 144 LEU HN 4.00 (# 2005:10 Unique 3.45, 3.69 A)
&rst
ixpk= 2005, nxpk= 10, iat=2243,2283, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:2006 144 LEU HN 5.00 (# 2006:10 Single Ambig)
&rst
ixpk= 2006, nxpk= 10, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2304,2314,
&end
#
# 140 VAL HA 144 LEU HN 5.00 (# 2007:10 Unique 3.82, 4.37 A)
&rst
ixpk= 2007, nxpk= 10, iat=2215,2283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 144 LEU HN 146 GLU HN 5.00 (# 2008:10 Unique 3.42, 3.67 A)
&rst
ixpk= 2008, nxpk= 10, iat=2283,2312, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:2009 146 GLU HN 6.00 (# 2009:10 Single Ambig)
&rst
ixpk= 2009, nxpk= 10, iat= -1,2312, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
&end
#
# 0 AMB 10-2:2011 108 ASN HN 5.00 (# 2011:10 Single Ambig)
&rst
ixpk= 2011, nxpk= 10, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1665,1714,
&end
#
# 115 TYR HE 115 TYR HN 5.00 (# 2012:10 Unique 3.71, 5.11 A)
&rst
ixpk= 2012, nxpk= 10, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1819,1824,
&end
#
# 67 VAL HB 37 TRP HN 4.00 (# 2013:10 Unique 3.60, 4.22 A)
&rst
ixpk= 2013, nxpk= 10, iat=1085, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 36 PHE HB+ 37 TRP HN 5.00 (# 2014:10 Unique 3.45, 4.17 A)
&rst
ixpk= 2014, nxpk= 10, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 584, 585,
&end
#
# 6 PRO HD- 5 GLN HN 5.00 (# 2015:10 Unique 2.33, 3.58 A)
&rst
ixpk= 2015, nxpk= 10, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 104, 105,
&end
#
# 123 LEU HB- 5 GLN HN 3.00 (# 2016:10 Unique 2.31, 3.30 A)
&rst
ixpk= 2016, nxpk= 10, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1942,1943,
&end
#
# 148 GLU HG+ 148 GLU HN 3.00 (# 2017:10 Unique 2.76, 4.30 A)
&rst
ixpk= 2017, nxpk= 10, iat= -1,2341, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2348,2349,
&end
#
# 10 LEU MDY 11 THR HN 4.00 (# 2023:10 Unique 3.90, 5.52 A)
&rst
ixpk= 2023, nxpk= 10, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 172, 173, 174, 176, 177, 178,
&end
#
# 12 GLY HN 11 THR HN 6.00 (# 2024:10 Unique 3.82, 4.26 A)
&rst
ixpk= 2024, nxpk= 10, iat= 196, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 LYS HN 15 ALA HN 4.00 (# 2026:10 Unique 1.81, 2.53 A)
&rst
ixpk= 2026, nxpk= 10, iat= 218, 240, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 ALA HA 15 ALA HN 4.00 (# 2027:10 Unique 2.75, 2.86 A)
&rst
ixpk= 2027, nxpk= 10, iat= 242, 240, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 VAL HB 15 ALA HN 4.00 (# 2028:10 Unique 1.88, 2.81 A)
&rst
ixpk= 2028, nxpk= 10, iat=1534, 240, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 ALA MB 15 ALA HN 6.00 (# 2030:10 Unique 2.41, 3.42 A)
&rst
ixpk= 2030, nxpk= 10, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 244, 245, 246,
&end
#
# 93 PRO HA 17 LEU HN 6.00 (# 2031:10 Unique 5.01, 5.51 A)
&rst
ixpk= 2031, nxpk= 10, iat=1487, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 TRP HB- 19 GLY HN 4.00 (# 2033:10 Unique 2.73, 4.31 A)
&rst
ixpk= 2033, nxpk= 10, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 254, 255,
&end
#
# 26 LEU HG 22 THR HN 4.00 (# 2034:10 Unique 3.36, 4.56 A)
&rst
ixpk= 2034, nxpk= 10, iat= 422, 345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 GLN HG+ 22 THR HN 4.00 (# 2035:10 Unique 2.96, 4.46 A)
&rst
ixpk= 2035, nxpk= 10, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 405, 406,
&end
#
# 22 THR HB 22 THR HN 4.00 (# 2036:10 Unique 3.21, 3.52 A)
&rst
ixpk= 2036, nxpk= 10, iat= 349, 345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:2037 23 ARG HN 4.00 (# 2037:10 Single Ambig)
&rst
ixpk= 2037, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 170, 121, 122,
&end
#
# 22 THR MG2 23 ARG HN 4.00 (# 2038:10 Unique 3.09, 4.27 A)
&rst
ixpk= 2038, nxpk= 10, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 351, 352, 353,
&end
#
# 0 AMB 10-2:2039 25 GLN HN 4.00 (# 2039:10 Single Ambig)
&rst
ixpk= 2039, nxpk= 10, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 351, 352, 353, 517, 518, 519,
&end
#
# 0 AMB 10-2:2040 25 GLN HN 5.00 (# 2040:10 Single Ambig)
&rst
ixpk= 2040, nxpk= 10, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 419, 420, 366, 367,
&end
#
# 0 AMB 10-2:2041 25 GLN HN 5.00 (# 2041:10 Single Ambig)
&rst
ixpk= 2041, nxpk= 10, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 424, 425, 426, 428, 429, 430, 335, 336, 337, 339,
340, 341,
&end
#
# 22 THR HB 25 GLN HN 4.00 (# 2042:10 Unique 3.62, 4.12 A)
&rst
ixpk= 2042, nxpk= 10, iat= 349, 398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 GLN HG- 26 LEU HN 6.00 (# 2043:10 Unique 4.33, 5.17 A)
&rst
ixpk= 2043, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 405, 406,
&end
#
# 0 AMB 10-2:2044 26 LEU HN 5.00 (# 2044:10 Single Ambig)
&rst
ixpk= 2044, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 405, 406, 390, 391,
&end
#
# 27 ILE HG1- 26 LEU HN 5.00 (# 2045:10 Unique 3.17, 4.12 A)
&rst
ixpk= 2045, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 444, 445,
&end
#
# 27 ILE QG2 26 LEU HN 6.00 (# 2047:10 Unique 5.76, 6.26 A)
&rst
ixpk= 2047, nxpk= 10, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 440, 441, 442,
&end
#
# 119 LYS HB+ 29 GLU HN 4.00 (# 2048:10 Unique 1.94, 3.29 A)
&rst
ixpk= 2048, nxpk= 10, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1882,1883,
&end
#
# 90 ILE QG2 37 TRP HE1 4.00 (# 2049:10 Unique 2.81, 5.47 A)
&rst
ixpk= 2049, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1433,1434,1435,
&end
#
# 0 AMB 10-2:2050 37 TRP HE1 5.00 (# 2050:10 Single Ambig)
&rst
ixpk= 2050, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 604, 605,1099,
&end
#
# 67 VAL HN 37 TRP HE1 5.00 (# 2051:10 Unique 4.16, 4.86 A)
&rst
ixpk= 2051, nxpk= 10, iat=1081, 610, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:2052 37 TRP HE1 6.00 (# 2052:10 Single Ambig)
&rst
ixpk= 2052, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1071,1097,1055,
&end
#
# 43 LEU HA 45 LYS HN 6.00 (# 2053:10 Unique 3.44, 4.00 A)
&rst
ixpk= 2053, nxpk= 10, iat= 694, 721, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 PRO HD- 47 ALA HN 4.00 (# 2054:10 Unique 2.97, 3.65 A)
&rst
ixpk= 2054, nxpk= 10, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 786, 787,
&end
#
# 51 VAL HA 50 GLN HN 5.00 (# 2056:10 Unique 4.79, 4.91 A)
&rst
ixpk= 2056, nxpk= 10, iat= 818, 799, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 MET HN 46 GLU HN 4.00 (# 2057:10 Unique 3.53, 3.92 A)
&rst
ixpk= 2057, nxpk= 10, iat= 768, 743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 78 PRO HD+ 77 ASP HN 4.00 (# 2062:10 Unique 4.06, 4.58 A)
&rst
ixpk= 2062, nxpk= 10, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1251,1252,
&end
#
# 83 GLU HB+ 83 GLU HN 4.00 (# 2063:10 Unique 2.02, 2.69 A)
&rst
ixpk= 2063, nxpk= 10, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1338,1339,
&end
#
# 0 AMB 10-2:2065 95 PHE HN 4.00 (# 2065:10 Single Ambig)
&rst
ixpk= 2065, nxpk= 10, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1097,1071,
&end
#
# 96 VAL MGY 96 VAL HN 4.00 (# 2066:10 Unique 1.92, 3.77 A)
&rst
ixpk= 2066, nxpk= 10, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1536,1537,1538,1540,1541,1542,
&end
#
# 100 HIS HN 102 LEU HN 6.00 (# 2068:10 Unique 4.93, 5.06 A)
&rst
ixpk= 2068, nxpk= 10, iat=1581,1608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 128 ALA MB 113 ALA HN 5.00 (# 2071:10 Unique 4.83, 6.14 A)
&rst
ixpk= 2071, nxpk= 10, iat= -1,1778, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2039,2040,2041,
&end
#
# 115 TYR HN 114 TYR HN 6.00 (# 2072:10 Unique 3.75, 4.17 A)
&rst
ixpk= 2072, nxpk= 10, iat=1809,1788, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 ILE HN 115 TYR HN 4.00 (# 2075:10 Unique 2.81, 3.09 A)
&rst
ixpk= 2075, nxpk= 10, iat= 544,1809, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 67 VAL HN 37 TRP HN 4.00 (# 2076:10 Unique 2.54, 2.75 A)
&rst
ixpk= 2076, nxpk= 10, iat=1081, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:2077 116 VAL HN 6.00 (# 2077:10 Single Ambig)
&rst
ixpk= 2077, nxpk= 10, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1983, 113,
&end
#
# 118 ASP HB+ 118 ASP HN 4.00 (# 2078:10 Unique 2.03, 2.86 A)
&rst
ixpk= 2078, nxpk= 10, iat= -1,1866, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1870,1871,
&end
#
# 124 ARG HG- 118 ASP HN 4.00 (# 2079:10 Unique 2.39, 3.83 A)
&rst
ixpk= 2079, nxpk= 10, iat= -1,1866, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1964,1965,
&end
#
# 124 ARG HB+ 118 ASP HN 4.00 (# 2081:10 Unique 2.82, 4.45 A)
&rst
ixpk= 2081, nxpk= 10, iat= -1,1866, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1961,1962,
&end
#
# 0 AMB 10-2:2082 118 ASP HN 5.00 (# 2082:10 Single Ambig)
&rst
ixpk= 2082, nxpk= 10, iat= -1,1866, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1836,1837,1838,1840,1841,1842,1947,1948,1949,1951,
1952,1953, 440, 441, 442,
&end
#
# 0 AMB 10-2:2083 118 ASP HN 5.00 (# 2083:10 Single Ambig)
&rst
ixpk= 2083, nxpk= 10, iat= -1,1866, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
&end
#
# 82 LYS HB- 83 GLU HN 3.00 (# 2087:10 Unique 2.46, 3.51 A)
&rst
ixpk= 2087, nxpk= 10, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1316,1317,
&end
#
# 46 GLU HG+ 46 GLU HN 3.00 (# 2088:10 Unique 2.01, 2.58 A)
&rst
ixpk= 2088, nxpk= 10, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 750, 751,
&end
#
# 140 VAL HA 142 ARG HN 5.00 (# 2089:10 Unique 3.58, 3.81 A)
&rst
ixpk= 2089, nxpk= 10, iat=2215,2243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:2090 142 ARG HN 4.00 (# 2090:10 Single Ambig)
&rst
ixpk= 2090, nxpk= 10, iat= -1,2243, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=2306,2307,2308,2193,2194,
&end
#
# 114 TYR HN 113 ALA HN 6.00 (# 2091:10 Unique 4.29, 4.35 A)
&rst
ixpk= 2091, nxpk= 10, iat=1788,1778, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 66 ALA HA 37 TRP HE1 4.00 (# 2092:10 Unique 3.16, 4.14 A)
&rst
ixpk= 2092, nxpk= 10, iat=1073, 610, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 10-2:2093 37 TRP HE1 4.00 (# 2093:10 Single Ambig)
&rst
ixpk= 2093, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1101,1102, 888, 889,
&end
#
# 106 PHE HD 107 GLU HN 5.00 (# 2094:10 Unique 1.95, 4.32 A)
&rst
ixpk= 2094, nxpk= 10, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1671,1679,
&end
#
# 0 AMB 10-2:2095 107 GLU HN 4.00 (# 2095:10 Single Ambig)
&rst
ixpk= 2095, nxpk= 10, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1655,1700,
&end
#
# 106 PHE HA 107 GLU HN 4.00 (# 2096:10 Unique 3.30, 3.47 A)
&rst
ixpk= 2096, nxpk= 10, iat=1665,1683, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 52 ASN HA 55 ARG HN 4.00 (# 2097:10 Unique 4.00, 4.24 A)
&rst
ixpk= 2097, nxpk= 10, iat= 834, 881, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 54 PHE HB- 55 ARG HN 4.00 (# 2098:10 Unique 2.69, 3.54 A)
&rst
ixpk= 2098, nxpk= 10, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 865, 866,
&end
#
# 89 ASP HB- 89 ASP HN 4.00 (# 2099:10 Unique 3.00, 3.57 A)
&rst
ixpk= 2099, nxpk= 10, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1419,1420,
&end
#
# 0 AMB 10-2:2100 138 LYS HN 6.00 (# 2100:10 Single Ambig)
&rst
ixpk= 2100, nxpk= 10, iat= -1,2167, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2180,2181,2199,2200,2107,2108,
&end
#
# 0 AMB 10-2:2101 0 AMB 10-1:2101 5.00 (# 2101:10 Double Ambig)
&rst
ixpk= 2101, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1429,1365, 883,
igr2=1472,1473,1415,
&end
#
# 85 ALA MB 90 ILE HN 4.00 (# 2102:10 Unique 4.78, 6.09 A)
&rst
ixpk= 2102, nxpk= 10, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1367,1368,1369,
&end
#
# 35 HIS HA 113 ALA HN 6.00 (# 2104:10 Unique 3.96, 4.09 A)
&rst
ixpk= 2104, nxpk= 10, iat= 565,1778, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 PHE HA 113 ALA HN 5.00 (# 2105:10 Unique 4.22, 4.57 A)
&rst
ixpk= 2105, nxpk= 10, iat= 582,1778, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 TRP HA 113 ALA HN 5.00 (# 2106:10 Unique 4.21, 4.38 A)
&rst
ixpk= 2106, nxpk= 10, iat= 602,1778, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 ASP HB- 52 ASN HD2+ 5.00 (# 2108:10 Unique 2.74, 4.93 A)
&rst
ixpk= 2108, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1419,1420,
igr2= 841, 842,
&end
#
# 89 ASP HB- 52 ASN HD2- 5.00 (# 2109:10 Unique 2.74, 4.93 A)
&rst
ixpk= 2109, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1419,1420,
igr2= 841, 842,
&end
#
# 52 ASN HB+ 52 ASN HD2- 5.00 (# 2110:10 Unique 2.13, 3.33 A)
&rst
ixpk= 2110, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 836, 837,
igr2= 841, 842,
&end
#
# 95 PHE HA 17 LEU HN 5.00 (# 2111:10 Unique 2.72, 3.41 A)
&rst
ixpk= 2111, nxpk= 10, iat=1512, 274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:2112 92 GLN HE2- 5.00 (# 2112:10 Single Ambig)
&rst
ixpk= 2112, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 608, 871, 875,
igr2=1472,1473,
&end
#
# 92 GLN HG- 92 GLN HE2- 6.00 (# 2113:10 Unique 2.10, 3.25 A)
&rst
ixpk= 2113, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1467,1468,
igr2=1472,1473,
&end
#
# 90 ILE QG2 92 GLN HE2- 6.00 (# 2114:10 Unique 1.99, 6.06 A)
&rst
ixpk= 2114, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1433,1434,1435,
igr2=1472,1473,
&end
#
# 0 AMB 10-2:2115 107 GLU HN 3.00 (# 2115:10 Single Ambig)
&rst
ixpk= 2115, nxpk= 10, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1690,1691,1702,1703,
&end
#
# 107 GLU HB+ 106 PHE HN 6.00 (# 2116:10 Unique 4.36, 5.09 A)
&rst
ixpk= 2116, nxpk= 10, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1687,1688,
&end
#
# 78 PRO HA 80 LYS HN 5.00 (# 2117:10 Unique 3.66, 3.88 A)
&rst
ixpk= 2117, nxpk= 10, iat=1260,1271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 10-2:2118 80 LYS HN 5.00 (# 2118:10 Single Ambig)
&rst
ixpk= 2118, nxpk= 10, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1338,1339,1254,1255,
&end
#
# 101 ALA MB 101 ALA HN 4.00 (# 2119:10 Unique 1.97, 2.81 A)
&rst
ixpk= 2119, nxpk= 10, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1602,1603,1604,
&end
#
# 101 ALA HA 101 ALA HN 4.00 (# 2120:10 Unique 2.68, 2.72 A)
&rst
ixpk= 2120, nxpk= 10, iat=1600,1598, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 118 ASP HA 120 THR HN 5.00 (# 2121:10 Unique 3.77, 3.87 A)
&rst
ixpk= 2121, nxpk= 10, iat=1868,1900, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 HIS HB+ 87 GLU HN 6.00 (# 2122:10 Unique 4.11, 5.03 A)
&rst
ixpk= 2122, nxpk= 10, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1402,1403,
&end
#
# 0 AMB 10-2:2123 86 ALA HN 5.00 (# 2123:10 Single Ambig)
&rst
ixpk= 2123, nxpk= 10, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1353,1400,
&end
#
# 140 VAL HN 142 ARG HN 5.00 (# 2126:10 Unique 3.43, 3.58 A)
&rst
ixpk= 2126, nxpk= 10, iat=2213,2243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 144 LEU HN 142 ARG HN 4.00 (# 2127:10 Unique 3.45, 3.69 A)
&rst
ixpk= 2127, nxpk= 10, iat=2283,2243, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 78 PRO HD- 77 ASP HN 4.00 (# 2128:10 Unique 4.06, 4.58 A)
&rst
ixpk= 2128, nxpk= 10, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1251,1252,
&end
#
# 0 AMB 10-2:2129 135 MET HN 5.00 (# 2129:10 Single Ambig)
&rst
ixpk= 2129, nxpk= 10, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=2118,2063,2064,2054,2055,
&end
#
# 56 ASP HB+ 55 ARG HE 4.00 (# 2132:10 Unique 2.45, 5.71 A)
&rst
ixpk= 2132, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 909, 910,
&end
#
# 0 AMB 10-2:2136 55 ARG HE 5.00 (# 2136:10 Single Ambig)
&rst
ixpk= 2136, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 883,1429,
&end
#
# 52 ASN HA 55 ARG HE 5.00 (# 2137:10 Unique 3.47, 6.22 A)
&rst
ixpk= 2137, nxpk= 10, iat= 834, 894, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 ASP HA 55 ARG HE 6.00 (# 2138:10 Unique 2.11, 4.74 A)
&rst
ixpk= 2138, nxpk= 10, iat= 907, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 VAL MGX 55 ARG HE 6.00 (# 2140:10 Unique 1.88, 7.06 A)
&rst
ixpk= 2140, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1045,1046,1047,1049,1050,1051,
&end
#
# 55 ARG HB+ 55 ARG HE 4.00 (# 2141:10 Unique 1.80, 4.24 A)
&rst
ixpk= 2141, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 885, 886,
&end
#
# 0 AMB 10-2:2142 55 ARG HE 4.00 (# 2142:10 Single Ambig)
&rst
ixpk= 2142, nxpk= 10, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 885, 886,1464,1465, 909, 910,
&end
#
# 17 LEU HB- 18 ASN HN 5.00 (# 2145:10 Unique 3.50, 4.26 A)
&rst
ixpk= 2145, nxpk= 10, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 278, 279,
&end
#
# 0 AMB 10-2:2146 0 AMB 10-1:2146 5.00 (# 2146:10 Double Ambig)
&rst
ixpk= 2146, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 548,1101,1102,
igr2=1809, 600,
&end
#
# 0 AMB 10-2:2147 0 AMB 10-1:2147 4.00 (# 2147:10 Double Ambig)
&rst
ixpk= 2147, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1792,1793,1771,1772,
igr2=1809, 600,
&end
#
# 0 AMB 10-2:2148 115 TYR HN 4.00 (# 2148:10 Single Ambig)
&rst
ixpk= 2148, nxpk= 10, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1792,1793,2002,2003,
&end
#
# 7 MET HG- 7 MET HN 4.00 (# 2151:10 Unique 1.83, 2.96 A)
&rst
ixpk= 2151, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 124, 125,
&end
#
# 49 PRO HB- 50 GLN HE2+ 6.00 (# 2152:10 Unique 3.49, 5.30 A)
&rst
ixpk= 2152, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 792, 793,
igr2= 811, 812,
&end
#
# 20 GLU HB+ 16 TRP HE1 5.00 (# 2153:10 Unique 3.47, 5.82 A)
&rst
ixpk= 2153, nxpk= 10, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 318, 319,
&end
#
# 20 GLU HG+ 16 TRP HE1 5.00 (# 2154:10 Unique 2.94, 5.18 A)
&rst
ixpk= 2154, nxpk= 10, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 321, 322,
&end
#
# 20 GLU HG- 16 TRP HE1 5.00 (# 2155:10 Unique 2.94, 5.18 A)
&rst
ixpk= 2155, nxpk= 10, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 321, 322,
&end
#
# 20 GLU HB- 16 TRP HE1 4.00 (# 2156:10 Unique 3.47, 5.82 A)
&rst
ixpk= 2156, nxpk= 10, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 318, 319,
&end
#
# 0 AMB 10-2:2158 0 AMB 10-1:2158 4.00 (# 2158:10 Double Ambig)
&rst
ixpk= 2158, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 482, 483,1882,1883,
igr2=1034,1035,1034,1035,
&end
#
# 88 HIS HN 86 ALA HN 5.00 (# 2160:10 Unique 3.72, 3.86 A)
&rst
ixpk= 2160, nxpk= 10, iat=1398,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 THR HN 86 ALA HN 5.00 (# 2161:10 Unique 3.65, 3.92 A)
&rst
ixpk= 2161, nxpk= 10, iat=1349,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 LEU MDY 44 CYSS HN 5.00 (# 2162:10 Unique 2.75, 5.66 A)
&rst
ixpk= 2162, nxpk= 10, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 701, 702, 703, 705, 706, 707,
&end
#
# 38 SER HB+ 38 SER HN 5.00 (# 2163:10 Unique 2.76, 3.32 A)
&rst
ixpk= 2163, nxpk= 10, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 628, 629,
&end
#
# 0 AMB 10-2:2166 139 ARG HN 3.00 (# 2166:10 Single Ambig)
&rst
ixpk= 2166, nxpk= 10, iat= -1,2189, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2174,2175,2196,2197,
&end
#
# 138 LYS HB+ 139 ARG HN 3.00 (# 2167:10 Unique 2.75, 3.69 A)
&rst
ixpk= 2167, nxpk= 10, iat= -1,2189, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2171,2172,
&end
#
# 76 LEU HB- 76 LEU HN 3.00 (# 2168:10 Unique 2.04, 2.71 A)
&rst
ixpk= 2168, nxpk= 10, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1223,1224,
&end
#
# 111 VAL HN 110 TYR HN 5.00 (# 2169:10 Unique 1.78, 2.55 A)
&rst
ixpk= 2169, nxpk= 10, iat=1748,1727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 PHE HE 110 TYR HN 6.00 (# 2171:10 Unique 2.11, 5.48 A)
&rst
ixpk= 2171, nxpk= 10, iat= -1,1727, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1673,1677,
&end
#
# 65 VAL HN 64 VAL HA 3.00 (# 10:20 Unique 2.18, 2.19 A)
&rst
ixpk= 10, nxpk= 20, iat=1055,1041, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 33 LEU HN 32 THR HA 3.00 (# 11:20 Unique 2.16, 2.25 A)
&rst
ixpk= 11, nxpk= 20, iat= 525, 513, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 63 ASN HN 32 THR HA 4.00 (# 12:20 Unique 2.24, 2.62 A)
&rst
ixpk= 12, nxpk= 20, iat=1025, 513, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 117 PHE HN 116 VAL HA 3.00 (# 13:20 Unique 2.18, 2.21 A)
&rst
ixpk= 13, nxpk= 20, iat=1846,1832, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 33 LEU HA 116 VAL HA 4.00 (# 14:20 Unique 2.14, 2.52 A)
&rst
ixpk= 14, nxpk= 20, iat= 527,1832, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 35 HIS HN 34 ILE HA 3.00 (# 15:20 Unique 2.18, 2.20 A)
&rst
ixpk= 15, nxpk= 20, iat= 563, 546, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 12 GLY HN 11 THR HA 4.00 (# 16:20 Unique 2.16, 2.27 A)
&rst
ixpk= 16, nxpk= 20, iat= 196, 184, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 PHE HN 94 ILE HA 3.00 (# 17:20 Unique 2.18, 2.24 A)
&rst
ixpk= 17, nxpk= 20, iat=1510,1493, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 35 HIS HA 114 TYR HA 5.00 (# 18:20 Unique 1.82, 1.96 A)
&rst
ixpk= 18, nxpk= 20, iat= 565,1790, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 PHE HA 115 TYR HA 3.00 (# 19:20 Unique 1.95, 2.18 A)
&rst
ixpk= 19, nxpk= 20, iat=2000,1811, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 115 TYR HN 114 TYR HA 3.00 (# 20:20 Unique 2.19, 2.23 A)
&rst
ixpk= 20, nxpk= 20, iat=1809,1790, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 115 TYR HN 115 TYR HA 5.00 (# 21:20 Unique 2.92, 2.94 A)
&rst
ixpk= 21, nxpk= 20, iat=1809,1811, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 116 VAL HN 115 TYR HA 3.00 (# 22:20 Unique 2.19, 2.28 A)
&rst
ixpk= 22, nxpk= 20, iat=1830,1811, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 LEU HN 16 TRP HA 3.00 (# 23:20 Unique 2.21, 2.24 A)
&rst
ixpk= 23, nxpk= 20, iat= 274, 252, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 37 TRP HN 36 PHE HA 3.00 (# 24:20 Unique 2.19, 2.20 A)
&rst
ixpk= 24, nxpk= 20, iat= 600, 582, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 67 VAL HN 36 PHE HA 5.00 (# 25:20 Unique 2.16, 2.39 A)
&rst
ixpk= 25, nxpk= 20, iat=1081, 582, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 ASP HN 117 PHE HA 3.00 (# 27:20 Unique 2.20, 2.25 A)
&rst
ixpk= 27, nxpk= 20, iat=1866,1848, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 58 TYR HN 58 TYR HA 4.00 (# 28:20 Unique 2.83, 2.92 A)
&rst
ixpk= 28, nxpk= 20, iat= 939, 941, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 59 GLN HN 58 TYR HA 4.00 (# 29:20 Unique 2.84, 3.15 A)
&rst
ixpk= 29, nxpk= 20, iat= 960, 941, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 SER HN 37 TRP HA 4.00 (# 31:20 Unique 2.45, 2.51 A)
&rst
ixpk= 31, nxpk= 20, iat= 624, 602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 127 GLN HN 126 PHE HA 3.00 (# 32:20 Unique 2.21, 2.35 A)
&rst
ixpk= 32, nxpk= 20, iat=2018,2000, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 126 PHE HN 126 PHE HA 4.00 (# 33:20 Unique 2.78, 2.88 A)
&rst
ixpk= 33, nxpk= 20, iat=1998,2000, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 34 ILE HN 33 LEU HA 3.00 (# 36:20 Unique 2.18, 2.19 A)
&rst
ixpk= 36, nxpk= 20, iat= 544, 527, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 63 ASN HN 63 ASN HA 4.00 (# 38:20 Unique 2.75, 2.82 A)
&rst
ixpk= 38, nxpk= 20, iat=1025,1027, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 VAL HN 63 ASN HA 3.00 (# 39:20 Unique 2.25, 2.28 A)
&rst
ixpk= 39, nxpk= 20, iat=1039,1027, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 63 ASN HD2- 63 ASN HA 4.00 (# 40:20 Unique 3.87, 4.37 A)
&rst
ixpk= 40, nxpk= 20, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1034,1035,
&end
#
# 36 PHE HN 35 HIS HA 3.00 (# 42:20 Unique 2.20, 2.23 A)
&rst
ixpk= 42, nxpk= 20, iat= 580, 565, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 64 VAL MGY 64 VAL HA 3.00 (# 60:20 Unique 2.22, 3.13 A)
&rst
ixpk= 60, nxpk= 20, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1045,1046,1047,1049,1050,1051,
&end
#
# 65 VAL MGX 64 VAL HA 4.00 (# 61:20 Unique 3.22, 4.95 A)
&rst
ixpk= 61, nxpk= 20, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1061,1062,1063,1065,1066,1067,
&end
#
# 63 ASN HB+ 32 THR HA 5.00 (# 62:20 Unique 1.94, 2.90 A)
&rst
ixpk= 62, nxpk= 20, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1029,1030,
&end
#
# 62 LEU MDX 32 THR HA 5.00 (# 63:20 Unique 2.09, 4.55 A)
&rst
ixpk= 63, nxpk= 20, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1015,1016,1017,1019,1020,1021,
&end
#
# 63 ASN HB- 32 THR HA 4.00 (# 64:20 Unique 1.94, 2.90 A)
&rst
ixpk= 64, nxpk= 20, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1029,1030,
&end
#
# 32 THR MG2 32 THR HA 3.00 (# 65:20 Unique 2.34, 3.21 A)
&rst
ixpk= 65, nxpk= 20, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 517, 518, 519,
&end
#
# 33 LEU MDY 116 VAL HA 6.00 (# 66:20 Unique 2.07, 4.97 A)
&rst
ixpk= 66, nxpk= 20, iat= -1,1832, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 534, 535, 536, 538, 539, 540,
&end
#
# 0 AMB 20-2:67 116 VAL HA 3.00 (# 67:20 Single Ambig)
&rst
ixpk= 67, nxpk= 20, iat= -1,1832, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
1841,1842,
&end
#
# 34 ILE HG1+ 34 ILE HA 4.00 (# 68:20 Unique 2.46, 3.04 A)
&rst
ixpk= 68, nxpk= 20, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 554, 555,
&end
#
# 34 ILE HG1- 34 ILE HA 4.00 (# 69:20 Unique 2.46, 3.04 A)
&rst
ixpk= 69, nxpk= 20, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 554, 555,
&end
#
# 34 ILE QG2 34 ILE HA 4.00 (# 70:20 Unique 2.10, 2.94 A)
&rst
ixpk= 70, nxpk= 20, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 550, 551, 552,
&end
#
# 11 THR MG2 11 THR HA 5.00 (# 71:20 Unique 3.56, 3.94 A)
&rst
ixpk= 71, nxpk= 20, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 188, 189, 190,
&end
#
# 11 THR HB 11 THR HA 5.00 (# 72:20 Unique 2.38, 2.43 A)
&rst
ixpk= 72, nxpk= 20, iat= 186, 184, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 ILE QG2 94 ILE HA 3.00 (# 76:20 Unique 2.12, 2.98 A)
&rst
ixpk= 76, nxpk= 20, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1497,1498,1499,
&end
#
# 0 AMB 20-2:77 94 ILE HA 5.00 (# 77:20 Single Ambig)
&rst
ixpk= 77, nxpk= 20, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1495,1059,
&end
#
# 66 ALA MB 94 ILE HA 4.00 (# 78:20 Unique 2.66, 4.01 A)
&rst
ixpk= 78, nxpk= 20, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1075,1076,1077,
&end
#
# 114 TYR HB- 114 TYR HA 4.00 (# 80:20 Unique 2.32, 2.62 A)
&rst
ixpk= 80, nxpk= 20, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1792,1793,
&end
#
# 114 TYR HB+ 114 TYR HA 5.00 (# 81:20 Unique 2.32, 2.62 A)
&rst
ixpk= 81, nxpk= 20, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1792,1793,
&end
#
# 126 PHE HA 115 TYR HA 3.00 (# 82:20 Unique 1.95, 2.18 A)
&rst
ixpk= 82, nxpk= 20, iat=2000,1811, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 115 TYR HB- 115 TYR HA 5.00 (# 83:20 Unique 2.32, 2.73 A)
&rst
ixpk= 83, nxpk= 20, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1813,1814,
&end
#
# 115 TYR HB+ 115 TYR HA 4.00 (# 84:20 Unique 2.32, 2.73 A)
&rst
ixpk= 84, nxpk= 20, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1813,1814,
&end
#
# 0 AMB 20-2:85 115 TYR HA 5.00 (# 85:20 Single Ambig)
&rst
ixpk= 85, nxpk= 20, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1947,1948,1949,1951,1952,1953,1836,1837,1838,1840,
1841,1842,
&end
#
# 123 LEU MDY 115 TYR HA 4.00 (# 86:20 Unique 2.93, 4.77 A)
&rst
ixpk= 86, nxpk= 20, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1947,1948,1949,1951,1952,1953,
&end
#
# 96 VAL MGY 16 TRP HA 6.00 (# 87:20 Unique 2.94, 5.74 A)
&rst
ixpk= 87, nxpk= 20, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1536,1537,1538,1540,1541,1542,
&end
#
# 36 PHE HB- 36 PHE HA 5.00 (# 88:20 Unique 2.55, 2.90 A)
&rst
ixpk= 88, nxpk= 20, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 584, 585,
&end
#
# 16 TRP HB+ 16 TRP HA 4.00 (# 89:20 Unique 2.21, 2.62 A)
&rst
ixpk= 89, nxpk= 20, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 254, 255,
&end
#
# 16 TRP HB- 16 TRP HA 3.00 (# 90:20 Unique 2.21, 2.62 A)
&rst
ixpk= 90, nxpk= 20, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 254, 255,
&end
#
# 67 VAL HB 36 PHE HA 4.00 (# 91:20 Unique 1.98, 2.89 A)
&rst
ixpk= 91, nxpk= 20, iat=1085, 582, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 123 LEU HA 117 PHE HA 4.00 (# 92:20 Unique 2.07, 2.42 A)
&rst
ixpk= 92, nxpk= 20, iat=1940,1848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 117 PHE HB- 117 PHE HA 5.00 (# 93:20 Unique 2.44, 2.79 A)
&rst
ixpk= 93, nxpk= 20, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1850,1851,
&end
#
# 117 PHE HB+ 117 PHE HA 4.00 (# 94:20 Unique 2.44, 2.79 A)
&rst
ixpk= 94, nxpk= 20, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1850,1851,
&end
#
# 58 TYR HB- 58 TYR HA 4.00 (# 95:20 Unique 2.32, 2.76 A)
&rst
ixpk= 95, nxpk= 20, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 943, 944,
&end
#
# 58 TYR HB+ 58 TYR HA 3.00 (# 96:20 Unique 2.32, 2.76 A)
&rst
ixpk= 96, nxpk= 20, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 943, 944,
&end
#
# 0 AMB 20-2:97 58 TYR HA 6.00 (# 97:20 Single Ambig)
&rst
ixpk= 97, nxpk= 20, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 993, 994,1010,1011,
&end
#
# 111 VAL MGY 37 TRP HA 4.00 (# 98:20 Unique 2.44, 5.28 A)
&rst
ixpk= 98, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1754,1755,1756,1758,1759,1760,
&end
#
# 37 TRP HB+ 37 TRP HA 4.00 (# 99:20 Unique 2.31, 2.65 A)
&rst
ixpk= 99, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 604, 605,
&end
#
# 0 AMB 20-2:100 37 TRP HA 4.00 (# 100:20 Single Ambig)
&rst
ixpk= 100, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 604, 605, 715, 716,
&end
#
# 0 AMB 20-2:101 126 PHE HA 6.00 (# 101:20 Single Ambig)
&rst
ixpk= 101, nxpk= 20, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1983,2037,
&end
#
# 112 PRO HB+ 37 TRP HA 4.00 (# 103:20 Unique 2.12, 3.12 A)
&rst
ixpk= 103, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1771,1772,
&end
#
# 115 TYR HA 126 PHE HA 4.00 (# 104:20 Unique 1.95, 2.18 A)
&rst
ixpk= 104, nxpk= 20, iat=1811,2000, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 126 PHE HB- 126 PHE HA 3.00 (# 105:20 Unique 2.31, 2.60 A)
&rst
ixpk= 105, nxpk= 20, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2002,2003,
&end
#
# 126 PHE HB+ 126 PHE HA 3.00 (# 106:20 Unique 2.31, 2.60 A)
&rst
ixpk= 106, nxpk= 20, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2002,2003,
&end
#
# 0 AMB 20-2:107 126 PHE HA 6.00 (# 107:20 Single Ambig)
&rst
ixpk= 107, nxpk= 20, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1836,1837,1838,1840,1841,1842,1947,1948,1949,1951,
1952,1953,
&end
#
# 33 LEU HB+ 33 LEU HA 4.00 (# 108:20 Unique 2.25, 2.68 A)
&rst
ixpk= 108, nxpk= 20, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 529, 530,
&end
#
# 33 LEU HB- 33 LEU HA 4.00 (# 110:20 Unique 2.25, 2.68 A)
&rst
ixpk= 110, nxpk= 20, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 529, 530,
&end
#
# 116 VAL HA 33 LEU HA 4.00 (# 111:20 Unique 2.14, 2.52 A)
&rst
ixpk= 111, nxpk= 20, iat=1832, 527, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 LEU MDY 33 LEU HA 3.00 (# 112:20 Unique 2.02, 3.87 A)
&rst
ixpk= 112, nxpk= 20, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 534, 535, 536, 538, 539, 540,
&end
#
# 33 LEU MDX 33 LEU HA 4.00 (# 113:20 Unique 2.02, 3.87 A)
&rst
ixpk= 113, nxpk= 20, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 534, 535, 536, 538, 539, 540,
&end
#
# 0 AMB 20-2:114 33 LEU HA 4.00 (# 114:20 Single Ambig)
&rst
ixpk= 114, nxpk= 20, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
1841,1842,
&end
#
# 64 VAL MGX 63 ASN HA 4.00 (# 115:20 Unique 3.42, 5.62 A)
&rst
ixpk= 115, nxpk= 20, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1045,1046,1047,1049,1050,1051,
&end
#
# 32 THR HA 63 ASN HA 5.00 (# 116:20 Unique 4.29, 4.48 A)
&rst
ixpk= 116, nxpk= 20, iat= 513,1027, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 ASN HB- 63 ASN HA 4.00 (# 117:20 Unique 2.42, 2.78 A)
&rst
ixpk= 117, nxpk= 20, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1029,1030,
&end
#
# 63 ASN HB+ 63 ASN HA 3.00 (# 118:20 Unique 2.42, 2.78 A)
&rst
ixpk= 118, nxpk= 20, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1029,1030,
&end
#
# 0 AMB 20-2:119 63 ASN HA 5.00 (# 119:20 Single Ambig)
&rst
ixpk= 119, nxpk= 20, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1015,1016,1017,1019,1020,1021, 424, 425, 426, 428,
429, 430,
&end
#
# 114 TYR HA 35 HIS HA 4.00 (# 120:20 Unique 1.82, 1.96 A)
&rst
ixpk= 120, nxpk= 20, iat=1790, 565, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 35 HIS HB- 35 HIS HA 4.00 (# 121:20 Unique 2.22, 2.47 A)
&rst
ixpk= 121, nxpk= 20, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 567, 568,
&end
#
# 35 HIS HB+ 35 HIS HA 4.00 (# 122:20 Unique 2.22, 2.47 A)
&rst
ixpk= 122, nxpk= 20, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 567, 568,
&end
#
# 32 THR HN 32 THR HB 4.00 (# 166:20 Unique 2.25, 2.45 A)
&rst
ixpk= 166, nxpk= 20, iat= 511, 515, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 THR HG1 32 THR HB 4.00 (# 167:20 Unique 2.22, 2.27 A)
&rst
ixpk= 167, nxpk= 20, iat= 521, 515, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 ARG HN 22 THR HB 4.00 (# 177:20 Unique 1.94, 2.61 A)
&rst
ixpk= 177, nxpk= 20, iat= 359, 349, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 GLU HN 22 THR HB 5.00 (# 178:20 Unique 2.11, 2.40 A)
&rst
ixpk= 178, nxpk= 20, iat= 383, 349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 PHE HE 22 THR HB 6.00 (# 182:20 Unique 5.51, 8.57 A)
&rst
ixpk= 182, nxpk= 20, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1520,1524,
&end
#
# 12 GLY HN 11 THR HB 4.00 (# 185:20 Unique 3.73, 4.11 A)
&rst
ixpk= 185, nxpk= 20, iat= 196, 186, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 11 THR HA 11 THR HB 3.00 (# 186:20 Unique 2.38, 2.43 A)
&rst
ixpk= 186, nxpk= 20, iat= 184, 186, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:188 147 THR HB 4.00 (# 188:20 Single Ambig)
&rst
ixpk= 188, nxpk= 20, iat= -1,2331, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2327,2341,
&end
#
# 84 THR HN 84 THR HB 5.00 (# 191:20 Unique 2.02, 2.09 A)
&rst
ixpk= 191, nxpk= 20, iat=1349,1353, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 141 ASN HN 140 VAL HA 4.00 (# 192:20 Unique 3.62, 3.64 A)
&rst
ixpk= 192, nxpk= 20, iat=2229,2215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 84 THR HN 84 THR HA 5.00 (# 193:20 Unique 2.73, 2.79 A)
&rst
ixpk= 193, nxpk= 20, iat=1349,1351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 140 VAL HN 140 VAL HA 4.00 (# 194:20 Unique 2.74, 2.81 A)
&rst
ixpk= 194, nxpk= 20, iat=2213,2215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 51 VAL HN 51 VAL HA 4.00 (# 195:20 Unique 2.64, 2.72 A)
&rst
ixpk= 195, nxpk= 20, iat= 816, 818, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 143 VAL HN 143 VAL HA 3.00 (# 197:20 Unique 2.70, 2.74 A)
&rst
ixpk= 197, nxpk= 20, iat=2267,2269, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 81 ILE HN 78 PRO HA 4.00 (# 198:20 Unique 3.03, 3.33 A)
&rst
ixpk= 198, nxpk= 20, iat=1293,1260, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 68 HIS HN 96 VAL HA 4.00 (# 199:20 Unique 2.28, 2.73 A)
&rst
ixpk= 199, nxpk= 20, iat=1097,1532, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 71 ARG HN 70 PRO HA 4.00 (# 201:20 Unique 2.28, 2.53 A)
&rst
ixpk= 201, nxpk= 20, iat=1145,1141, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 THR HN 31 PRO HA 3.00 (# 202:20 Unique 2.27, 2.34 A)
&rst
ixpk= 202, nxpk= 20, iat= 511, 507, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 148 GLU HN 147 THR HA 3.00 (# 203:20 Unique 2.33, 2.37 A)
&rst
ixpk= 203, nxpk= 20, iat=2341,2329, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 18 ASN HD2+ 91 THR HA 4.00 (# 204:20 Unique 1.90, 3.04 A)
&rst
ixpk= 204, nxpk= 20, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 302, 303,
&end
#
# 91 THR HN 91 THR HA 5.00 (# 205:20 Unique 2.89, 2.93 A)
&rst
ixpk= 205, nxpk= 20, iat=1446,1448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 ASN HD2- 91 THR HA 4.00 (# 206:20 Unique 1.90, 3.04 A)
&rst
ixpk= 206, nxpk= 20, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 302, 303,
&end
#
# 120 THR HN 120 THR HA 4.00 (# 207:20 Unique 2.90, 2.93 A)
&rst
ixpk= 207, nxpk= 20, iat=1900,1902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:208 65 VAL HA 3.00 (# 208:20 Single Ambig)
&rst
ixpk= 208, nxpk= 20, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1071,1055,
&end
#
# 92 GLN HN 90 ILE HA 5.00 (# 211:20 Unique 3.51, 4.27 A)
&rst
ixpk= 211, nxpk= 20, iat=1460,1429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 91 THR HN 90 ILE HA 3.00 (# 212:20 Unique 2.20, 2.33 A)
&rst
ixpk= 212, nxpk= 20, iat=1446,1429, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 95 PHE HN 67 VAL HA 6.00 (# 213:20 Unique 1.95, 2.36 A)
&rst
ixpk= 213, nxpk= 20, iat=1510,1083, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:214 27 ILE HA 3.00 (# 214:20 Single Ambig)
&rst
ixpk= 214, nxpk= 20, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 453, 460,
&end
#
# 0 AMB 20-2:215 27 ILE HA 5.00 (# 215:20 Single Ambig)
&rst
ixpk= 215, nxpk= 20, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1034,1035, 434,
&end
#
# 68 HIS HN 67 VAL HA 3.00 (# 216:20 Unique 2.18, 2.24 A)
&rst
ixpk= 216, nxpk= 20, iat=1097,1083, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 82 LYS HN 82 LYS HA 4.00 (# 217:20 Unique 2.65, 2.71 A)
&rst
ixpk= 217, nxpk= 20, iat=1312,1314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 ARG HN 23 ARG HA 4.00 (# 218:20 Unique 2.66, 2.74 A)
&rst
ixpk= 218, nxpk= 20, iat= 359, 361, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 26 LEU HN 23 ARG HA 5.00 (# 221:20 Unique 2.95, 3.41 A)
&rst
ixpk= 221, nxpk= 20, iat= 415, 361, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 137 GLU HN 137 GLU HA 4.00 (# 222:20 Unique 2.66, 2.69 A)
&rst
ixpk= 222, nxpk= 20, iat=2152,2154, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 138 LYS HN 137 GLU HA 6.00 (# 223:20 Unique 3.47, 3.52 A)
&rst
ixpk= 223, nxpk= 20, iat=2167,2154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 PHE HN 54 PHE HA 3.00 (# 224:20 Unique 2.62, 2.73 A)
&rst
ixpk= 224, nxpk= 20, iat= 861, 863, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 GLN HN 24 GLU HA 6.00 (# 226:20 Unique 3.31, 3.35 A)
&rst
ixpk= 226, nxpk= 20, iat= 398, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 GLU HN 24 GLU HA 3.00 (# 227:20 Unique 2.75, 2.84 A)
&rst
ixpk= 227, nxpk= 20, iat= 383, 385, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 27 ILE HN 24 GLU HA 5.00 (# 228:20 Unique 3.54, 3.86 A)
&rst
ixpk= 228, nxpk= 20, iat= 434, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 PHE HE 137 GLU HA 5.00 (# 229:20 Unique 1.90, 4.17 A)
&rst
ixpk= 229, nxpk= 20, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 871, 875,
&end
#
# 22 THR HN 21 VAL HA 3.00 (# 230:20 Unique 2.36, 2.60 A)
&rst
ixpk= 230, nxpk= 20, iat= 345, 331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 55 ARG HN 54 PHE HA 4.00 (# 231:20 Unique 3.36, 3.48 A)
&rst
ixpk= 231, nxpk= 20, iat= 881, 863, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 84 THR HN 83 GLU HA 5.00 (# 232:20 Unique 3.58, 3.62 A)
&rst
ixpk= 232, nxpk= 20, iat=1349,1336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 GLU HN 83 GLU HA 3.00 (# 233:20 Unique 2.77, 2.86 A)
&rst
ixpk= 233, nxpk= 20, iat=1334,1336, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 86 ALA HN 83 GLU HA 4.00 (# 234:20 Unique 2.93, 3.33 A)
&rst
ixpk= 234, nxpk= 20, iat=1373,1336, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 56 ASP HN 53 GLU HA 4.00 (# 235:20 Unique 2.97, 3.46 A)
&rst
ixpk= 235, nxpk= 20, iat= 905, 848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 141 ASN HN 138 LYS HA 4.00 (# 236:20 Unique 3.36, 3.57 A)
&rst
ixpk= 236, nxpk= 20, iat=2229,2169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 138 LYS HN 138 LYS HA 3.00 (# 237:20 Unique 2.85, 2.90 A)
&rst
ixpk= 237, nxpk= 20, iat=2167,2169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 VAL HN 21 VAL HA 4.00 (# 238:20 Unique 2.80, 2.90 A)
&rst
ixpk= 238, nxpk= 20, iat= 329, 331, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 ASP HN 59 GLN HA 4.00 (# 239:20 Unique 2.45, 2.78 A)
&rst
ixpk= 239, nxpk= 20, iat= 977, 962, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 59 GLN HN 59 GLN HA 3.00 (# 240:20 Unique 2.70, 2.80 A)
&rst
ixpk= 240, nxpk= 20, iat= 960, 962, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 144 LEU HN 142 ARG HA 4.00 (# 242:20 Unique 3.77, 4.08 A)
&rst
ixpk= 242, nxpk= 20, iat=2283,2245, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:243 0 AMB 20-1:243 3.00 (# 243:20 Double Ambig)
&rst
ixpk= 243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2302, 846, 861,
igr2=2245, 848,
&end
#
# 46 GLU HN 46 GLU HA 3.00 (# 244:20 Unique 2.83, 2.86 A)
&rst
ixpk= 244, nxpk= 20, iat= 743, 745, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:245 0 AMB 20-1:245 4.00 (# 245:20 Double Ambig)
&rst
ixpk= 245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 758, 98, 99,
igr2= 745,1665,
&end
#
# 142 ARG HN 142 ARG HA 3.00 (# 247:20 Unique 2.72, 2.81 A)
&rst
ixpk= 247, nxpk= 20, iat=2243,2245, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:248 0 AMB 20-1:248 3.00 (# 248:20 Double Ambig)
&rst
ixpk= 248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 799,1398, 811, 812,
igr2= 801,1385,
&end
#
# 57 LYS HN 57 LYS HA 3.00 (# 249:20 Unique 2.76, 2.86 A)
&rst
ixpk= 249, nxpk= 20, iat= 917, 919, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 58 TYR HN 57 LYS HA 4.00 (# 250:20 Unique 3.45, 3.59 A)
&rst
ixpk= 250, nxpk= 20, iat= 939, 919, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 59 GLN HN 57 LYS HA 6.00 (# 251:20 Unique 3.76, 4.19 A)
&rst
ixpk= 251, nxpk= 20, iat= 960, 919, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 87 GLU HN 87 GLU HA 3.00 (# 253:20 Unique 2.83, 2.89 A)
&rst
ixpk= 253, nxpk= 20, iat=1383,1385, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 84 THR HN 80 LYS HA 6.00 (# 254:20 Unique 3.16, 3.54 A)
&rst
ixpk= 254, nxpk= 20, iat=1349,1273, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 83 GLU HN 80 LYS HA 4.00 (# 255:20 Unique 3.06, 3.42 A)
&rst
ixpk= 255, nxpk= 20, iat=1334,1273, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 ILE HN 80 LYS HA 4.00 (# 256:20 Unique 3.55, 3.59 A)
&rst
ixpk= 256, nxpk= 20, iat=1293,1273, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 80 LYS HN 80 LYS HA 3.00 (# 257:20 Unique 2.92, 2.92 A)
&rst
ixpk= 257, nxpk= 20, iat=1271,1273, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 119 LYS HN 119 LYS HA 4.00 (# 258:20 Unique 2.75, 2.80 A)
&rst
ixpk= 258, nxpk= 20, iat=1878,1880, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 55 ARG HN 55 ARG HA 4.00 (# 259:20 Unique 2.74, 2.82 A)
&rst
ixpk= 259, nxpk= 20, iat= 881, 883, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 136 LEU HN 136 LEU HA 4.00 (# 260:20 Unique 2.80, 2.88 A)
&rst
ixpk= 260, nxpk= 20, iat=2133,2135, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 148 GLU HN 148 GLU HA 3.00 (# 261:20 Unique 2.17, 2.34 A)
&rst
ixpk= 261, nxpk= 20, iat=2341,2343, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 ARG HN 4 ARG HA 3.00 (# 262:20 Unique 2.19, 2.26 A)
&rst
ixpk= 262, nxpk= 20, iat= 62, 64, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 GLN HN 4 ARG HA 4.00 (# 263:20 Unique 3.10, 3.24 A)
&rst
ixpk= 263, nxpk= 20, iat= 86, 64, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 139 ARG HN 136 LEU HA 5.00 (# 264:20 Unique 2.55, 2.76 A)
&rst
ixpk= 264, nxpk= 20, iat=2189,2135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 VAL HN 111 VAL HA 4.00 (# 265:20 Unique 2.21, 2.72 A)
&rst
ixpk= 265, nxpk= 20, iat=1748,1750, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 100 HIS HN 100 HIS HA 3.00 (# 266:20 Unique 2.20, 2.31 A)
&rst
ixpk= 266, nxpk= 20, iat=1581,1583, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 138 LYS HN 135 MET HA 3.00 (# 267:20 Unique 3.58, 3.93 A)
&rst
ixpk= 267, nxpk= 20, iat=2167,2118, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 30 LYS HN 29 GLU HA 5.00 (# 268:20 Unique 3.27, 3.57 A)
&rst
ixpk= 268, nxpk= 20, iat= 475, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:269 29 GLU HA 4.00 (# 269:20 Single Ambig)
&rst
ixpk= 269, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 460, 453,
&end
#
# 72 SER HN 72 SER HA 4.00 (# 270:20 Unique 2.87, 2.89 A)
&rst
ixpk= 270, nxpk= 20, iat=1169,1171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 147 THR HN 146 GLU HA 4.00 (# 271:20 Unique 3.53, 3.61 A)
&rst
ixpk= 271, nxpk= 20, iat=2327,2314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 145 ALA HN 144 LEU HA 4.00 (# 272:20 Unique 3.49, 3.59 A)
&rst
ixpk= 272, nxpk= 20, iat=2302,2285, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:273 0 AMB 20-1:273 3.00 (# 273:20 Double Ambig)
&rst
ixpk= 273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 692,2283, 743,
igr2= 694,2285,
&end
#
# 10 LEU HN 9 GLU HA 3.00 (# 274:20 Unique 2.22, 2.40 A)
&rst
ixpk= 274, nxpk= 20, iat= 163, 150, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:275 0 AMB 20-1:275 3.00 (# 275:20 Double Ambig)
&rst
ixpk= 275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2189, 148,
igr2=2191, 150,
&end
#
# 142 ARG HN 139 ARG HA 4.00 (# 276:20 Unique 3.15, 3.41 A)
&rst
ixpk= 276, nxpk= 20, iat=2243,2191, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 40 SER HN 40 SER HA 4.00 (# 277:20 Unique 2.83, 2.89 A)
&rst
ixpk= 277, nxpk= 20, iat= 654, 656, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 ASP HN 104 ASP HA 3.00 (# 278:20 Unique 2.72, 2.78 A)
&rst
ixpk= 278, nxpk= 20, iat=1641,1643, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:279 104 ASP HA 3.00 (# 279:20 Single Ambig)
&rst
ixpk= 279, nxpk= 20, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1653,1683,
&end
#
# 48 MET HN 48 MET HA 4.00 (# 280:20 Unique 2.72, 2.81 A)
&rst
ixpk= 280, nxpk= 20, iat= 768, 770, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:281 102 LEU HA 4.00 (# 281:20 Single Ambig)
&rst
ixpk= 281, nxpk= 20, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1617,1618,1619,1621,1622,1623,1608,
&end
#
# 146 GLU HN 146 GLU HA 3.00 (# 282:20 Unique 2.86, 2.91 A)
&rst
ixpk= 282, nxpk= 20, iat=2312,2314, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 26 LEU HN 25 GLN HA 4.00 (# 283:20 Unique 2.96, 3.17 A)
&rst
ixpk= 283, nxpk= 20, iat= 415, 400, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 GLN HN 25 GLN HA 3.00 (# 284:20 Unique 2.86, 2.91 A)
&rst
ixpk= 284, nxpk= 20, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 ARG HN 3 LEU HA 3.00 (# 285:20 Unique 2.18, 2.30 A)
&rst
ixpk= 285, nxpk= 20, iat= 62, 45, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 3 LEU HN 3 LEU HA 5.00 (# 286:20 Unique 2.48, 2.66 A)
&rst
ixpk= 286, nxpk= 20, iat= 43, 45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 LYS HN 56 ASP HA 4.00 (# 287:20 Unique 3.37, 3.42 A)
&rst
ixpk= 287, nxpk= 20, iat= 917, 907, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 TYR HN 109 GLU HA 4.00 (# 289:20 Unique 2.64, 3.14 A)
&rst
ixpk= 289, nxpk= 20, iat=1727,1714, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:290 107 GLU HA 3.00 (# 290:20 Single Ambig)
&rst
ixpk= 290, nxpk= 20, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1683,1698,
&end
#
# 117 PHE HA 123 LEU HA 5.00 (# 291:20 Unique 2.07, 2.42 A)
&rst
ixpk= 291, nxpk= 20, iat=1848,1940, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 ASP HN 56 ASP HA 3.00 (# 292:20 Unique 2.71, 2.80 A)
&rst
ixpk= 292, nxpk= 20, iat= 905, 907, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 145 ALA HN 141 ASN HA 4.00 (# 293:20 Unique 3.61, 4.05 A)
&rst
ixpk= 293, nxpk= 20, iat=2302,2231, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 141 ASN HN 141 ASN HA 3.00 (# 294:20 Unique 2.62, 2.71 A)
&rst
ixpk= 294, nxpk= 20, iat=2229,2231, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 144 LEU HN 141 ASN HA 3.00 (# 295:20 Unique 3.31, 3.58 A)
&rst
ixpk= 295, nxpk= 20, iat=2283,2231, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 39 ILE HN 38 SER HA 3.00 (# 296:20 Unique 2.22, 2.34 A)
&rst
ixpk= 296, nxpk= 20, iat= 635, 626, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 69 MET HN 68 HIS HA 3.00 (# 297:20 Unique 2.19, 2.20 A)
&rst
ixpk= 297, nxpk= 20, iat=1114,1099, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 124 ARG HN 123 LEU HA 4.00 (# 298:20 Unique 2.18, 2.19 A)
&rst
ixpk= 298, nxpk= 20, iat=1957,1940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 59 GLN HN 56 ASP HA 4.00 (# 299:20 Unique 3.06, 3.36 A)
&rst
ixpk= 299, nxpk= 20, iat= 960, 907, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 61 GLN HN 61 GLN HA 3.00 (# 300:20 Unique 2.86, 2.91 A)
&rst
ixpk= 300, nxpk= 20, iat= 989, 991, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 62 LEU HN 61 GLN HA 4.00 (# 301:20 Unique 3.38, 3.54 A)
&rst
ixpk= 301, nxpk= 20, iat=1006, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 HIS HN 88 HIS HA 3.00 (# 302:20 Unique 2.73, 2.82 A)
&rst
ixpk= 302, nxpk= 20, iat=1398,1400, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 89 ASP HN 88 HIS HA 4.00 (# 303:20 Unique 3.63, 3.64 A)
&rst
ixpk= 303, nxpk= 20, iat=1415,1400, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 71 ARG HN 71 ARG HA 4.00 (# 305:20 Unique 2.68, 2.79 A)
&rst
ixpk= 305, nxpk= 20, iat=1145,1147, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 VAL HN 95 PHE HA 4.00 (# 307:20 Unique 2.19, 2.25 A)
&rst
ixpk= 307, nxpk= 20, iat=1530,1512, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 61 GLN HN 60 ASP HA 4.00 (# 308:20 Unique 3.00, 3.42 A)
&rst
ixpk= 308, nxpk= 20, iat= 989, 979, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:309 74 ASP HA 4.00 (# 309:20 Single Ambig)
&rst
ixpk= 309, nxpk= 20, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1238,1207,
&end
#
# 60 ASP HN 60 ASP HA 4.00 (# 311:20 Unique 2.61, 2.74 A)
&rst
ixpk= 311, nxpk= 20, iat= 977, 979, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 LYS HN 1 MET HA 3.00 (# 313:20 Unique 2.20, 2.30 A)
&rst
ixpk= 313, nxpk= 20, iat= 21, 6, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 85 ALA HN 85 ALA HA 4.00 (# 314:20 Unique 2.72, 2.81 A)
&rst
ixpk= 314, nxpk= 20, iat=1363,1365, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 ALA HN 14 LYS HA 4.00 (# 315:20 Unique 3.49, 3.61 A)
&rst
ixpk= 315, nxpk= 20, iat= 240, 220, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 89 ASP HN 89 ASP HA 3.00 (# 316:20 Unique 2.59, 2.64 A)
&rst
ixpk= 316, nxpk= 20, iat=1415,1417, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:317 26 LEU HA 4.00 (# 317:20 Single Ambig)
&rst
ixpk= 317, nxpk= 20, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 434,1034,1035,
&end
#
# 63 ASN HD2+ 26 LEU HA 4.00 (# 318:20 Unique 3.54, 4.26 A)
&rst
ixpk= 318, nxpk= 20, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1034,1035,
&end
#
# 123 LEU HN 122 GLN HA 3.00 (# 319:20 Unique 2.20, 2.25 A)
&rst
ixpk= 319, nxpk= 20, iat=1938,1923, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:320 122 GLN HA 4.00 (# 320:20 Single Ambig)
&rst
ixpk= 320, nxpk= 20, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 117,1866,1914,
&end
#
# 122 GLN HN 122 GLN HA 5.00 (# 321:20 Unique 2.90, 2.91 A)
&rst
ixpk= 321, nxpk= 20, iat=1921,1923, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 LYS HN 14 LYS HA 5.00 (# 322:20 Unique 2.65, 2.87 A)
&rst
ixpk= 322, nxpk= 20, iat= 218, 220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:323 0 AMB 20-1:323 3.00 (# 323:20 Double Ambig)
&rst
ixpk= 323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1653,1727,1383,
igr2=1655,1700,1375,
&end
#
# 88 HIS HN 0 AMB 20-1:324 4.00 (# 324:20 Single Ambig)
&rst
ixpk= 324, nxpk= 20, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1375,1417,
&end
#
# 0 AMB 20-2:326 0 AMB 20-1:326 4.00 (# 326:20 Double Ambig)
&rst
ixpk= 326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1238, 398,1207,
igr2=1221, 417,
&end
#
# 18 ASN HN 18 ASN HA 3.00 (# 327:20 Unique 2.17, 2.20 A)
&rst
ixpk= 327, nxpk= 20, iat= 293, 295, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 19 GLY HN 18 ASN HA 3.00 (# 328:20 Unique 3.16, 3.53 A)
&rst
ixpk= 328, nxpk= 20, iat= 307, 295, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 GLU HN 108 ASN HA 5.00 (# 329:20 Unique 2.25, 2.54 A)
&rst
ixpk= 329, nxpk= 20, iat=1712,1700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 VAL HN 20 GLU HA 3.00 (# 331:20 Unique 2.20, 2.41 A)
&rst
ixpk= 331, nxpk= 20, iat= 329, 316, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 GLN HN 5 GLN HA 3.00 (# 333:20 Unique 2.87, 2.90 A)
&rst
ixpk= 333, nxpk= 20, iat= 86, 88, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 7 MET HN 7 MET HA 5.00 (# 336:20 Unique 2.29, 2.53 A)
&rst
ixpk= 336, nxpk= 20, iat= 117, 119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 PHE HD 7 MET HA 4.00 (# 337:20 Unique 4.32, 5.94 A)
&rst
ixpk= 337, nxpk= 20, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1854,1862,
&end
#
# 3 LEU HN 2 LYS HA 3.00 (# 338:20 Unique 2.18, 2.36 A)
&rst
ixpk= 338, nxpk= 20, iat= 43, 23, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 2 LYS HN 2 LYS HA 4.00 (# 339:20 Unique 2.91, 2.93 A)
&rst
ixpk= 339, nxpk= 20, iat= 21, 23, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 128 ALA HN 127 GLN HA 3.00 (# 340:20 Unique 2.23, 2.41 A)
&rst
ixpk= 340, nxpk= 20, iat=2035,2020, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 127 GLN HN 127 GLN HA 4.00 (# 341:20 Unique 2.82, 2.89 A)
&rst
ixpk= 341, nxpk= 20, iat=2018,2020, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 92 GLN HN 92 GLN HA 4.00 (# 343:20 Unique 2.63, 2.69 A)
&rst
ixpk= 343, nxpk= 20, iat=1460,1462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 11 THR HN 10 LEU HA 3.00 (# 344:20 Unique 2.25, 2.39 A)
&rst
ixpk= 344, nxpk= 20, iat= 182, 165, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:345 118 ASP HA 5.00 (# 345:20 Single Ambig)
&rst
ixpk= 345, nxpk= 20, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1866, 511,
&end
#
# 0 AMB 20-2:346 145 ALA HA 3.00 (# 346:20 Single Ambig)
&rst
ixpk= 346, nxpk= 20, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2302,2312,
&end
#
# 119 LYS HN 118 ASP HA 3.00 (# 347:20 Unique 2.48, 2.53 A)
&rst
ixpk= 347, nxpk= 20, iat=1878,1868, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 50 GLN HE2+ 47 ALA HA 4.00 (# 350:20 Unique 1.94, 3.64 A)
&rst
ixpk= 350, nxpk= 20, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 811, 812,
&end
#
# 47 ALA HN 47 ALA HA 3.00 (# 351:20 Unique 2.92, 2.94 A)
&rst
ixpk= 351, nxpk= 20, iat= 758, 760, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 16 TRP HN 15 ALA HA 4.00 (# 352:20 Unique 2.23, 2.42 A)
&rst
ixpk= 352, nxpk= 20, iat= 250, 242, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 ALA HN 15 ALA HA 4.00 (# 353:20 Unique 2.75, 2.86 A)
&rst
ixpk= 353, nxpk= 20, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 MET HN 49 PRO HD+ 5.00 (# 354:20 Unique 1.80, 2.09 A)
&rst
ixpk= 354, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 786, 787,
&end
#
# 48 MET HN 49 PRO HD- 4.00 (# 355:20 Unique 1.80, 2.09 A)
&rst
ixpk= 355, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 786, 787,
&end
#
# 30 LYS HA 31 PRO HD+ 3.00 (# 356:20 Unique 1.97, 2.45 A)
&rst
ixpk= 356, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 498, 499,
&end
#
# 35 HIS HN 66 ALA HA 3.00 (# 357:20 Unique 2.13, 2.43 A)
&rst
ixpk= 357, nxpk= 20, iat= 563,1073, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 67 VAL HN 66 ALA HA 3.00 (# 358:20 Unique 2.37, 2.44 A)
&rst
ixpk= 358, nxpk= 20, iat=1081,1073, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 62 LEU HN 62 LEU HB- 5.00 (# 359:20 Unique 2.45, 3.12 A)
&rst
ixpk= 359, nxpk= 20, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1010,1011,
&end
#
# 62 LEU HN 62 LEU HB+ 5.00 (# 360:20 Unique 2.45, 3.12 A)
&rst
ixpk= 360, nxpk= 20, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1010,1011,
&end
#
# 79 GLY HN 79 GLY HA- 3.00 (# 363:20 Unique 2.28, 2.62 A)
&rst
ixpk= 363, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1266,1267,
&end
#
# 80 LYS HN 79 GLY HA- 4.00 (# 364:20 Unique 2.95, 3.31 A)
&rst
ixpk= 364, nxpk= 20, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1266,1267,
&end
#
# 79 GLY HN 79 GLY HA+ 3.00 (# 365:20 Unique 2.28, 2.62 A)
&rst
ixpk= 365, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1266,1267,
&end
#
# 80 LYS HN 79 GLY HA+ 4.00 (# 366:20 Unique 2.95, 3.31 A)
&rst
ixpk= 366, nxpk= 20, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1266,1267,
&end
#
# 0 AMB 20-2:368 28 GLY HA- 3.00 (# 368:20 Single Ambig)
&rst
ixpk= 368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 460, 453,
igr2= 455, 456,
&end
#
# 121 GLY HN 121 GLY HA- 3.00 (# 369:20 Unique 2.25, 2.56 A)
&rst
ixpk= 369, nxpk= 20, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1916,1917,
&end
#
# 0 AMB 20-2:370 0 AMB 20-1:370 3.00 (# 370:20 Double Ambig)
&rst
ixpk= 370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 460, 453,
igr2= 455, 456, 455, 456,
&end
#
# 121 GLY HN 121 GLY HA+ 3.00 (# 371:20 Unique 2.25, 2.56 A)
&rst
ixpk= 371, nxpk= 20, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1916,1917,
&end
#
# 12 GLY HN 12 GLY HA- 4.00 (# 372:20 Unique 2.26, 2.72 A)
&rst
ixpk= 372, nxpk= 20, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 198, 199,
&end
#
# 12 GLY HN 12 GLY HA+ 4.00 (# 373:20 Unique 2.26, 2.72 A)
&rst
ixpk= 373, nxpk= 20, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 198, 199,
&end
#
# 129 GLY HN 129 GLY HA+ 4.00 (# 376:20 Unique 2.25, 2.65 A)
&rst
ixpk= 376, nxpk= 20, iat=2045, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2047,2048,
&end
#
# 129 GLY HN 129 GLY HA- 4.00 (# 377:20 Unique 2.25, 2.65 A)
&rst
ixpk= 377, nxpk= 20, iat=2045, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2047,2048,
&end
#
# 19 GLY HN 19 GLY HA- 3.00 (# 378:20 Unique 2.37, 2.76 A)
&rst
ixpk= 378, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 309, 310,
&end
#
# 20 GLU HN 19 GLY HA- 3.00 (# 379:20 Unique 2.20, 2.75 A)
&rst
ixpk= 379, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 309, 310,
&end
#
# 19 GLY HN 19 GLY HA+ 3.00 (# 380:20 Unique 2.37, 2.76 A)
&rst
ixpk= 380, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 309, 310,
&end
#
# 20 GLU HN 19 GLY HA+ 3.00 (# 381:20 Unique 2.20, 2.75 A)
&rst
ixpk= 381, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 309, 310,
&end
#
# 142 ARG HN 142 ARG HD+ 4.00 (# 384:20 Unique 4.49, 5.04 A)
&rst
ixpk= 384, nxpk= 20, iat=2243, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2253,2254,
&end
#
# 127 GLN HN 126 PHE HB- 6.00 (# 385:20 Unique 2.72, 3.87 A)
&rst
ixpk= 385, nxpk= 20, iat=2018, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2002,2003,
&end
#
# 126 PHE HN 126 PHE HB- 4.00 (# 386:20 Unique 2.43, 3.27 A)
&rst
ixpk= 386, nxpk= 20, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2002,2003,
&end
#
# 126 PHE HA 126 PHE HB- 4.00 (# 388:20 Unique 2.31, 2.60 A)
&rst
ixpk= 388, nxpk= 20, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2002,2003,
&end
#
# 126 PHE HN 126 PHE HB+ 4.00 (# 390:20 Unique 2.43, 3.27 A)
&rst
ixpk= 390, nxpk= 20, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2002,2003,
&end
#
# 115 TYR HE 126 PHE HB+ 4.00 (# 391:20 Unique 3.71, 6.01 A)
&rst
ixpk= 391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1819,1824,
igr2=2002,2003,
&end
#
# 126 PHE HA 126 PHE HB+ 4.00 (# 393:20 Unique 2.31, 2.60 A)
&rst
ixpk= 393, nxpk= 20, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2002,2003,
&end
#
# 76 LEU HN 76 LEU HB+ 4.00 (# 394:20 Unique 2.04, 2.71 A)
&rst
ixpk= 394, nxpk= 20, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1223,1224,
&end
#
# 76 LEU HN 76 LEU HB- 5.00 (# 395:20 Unique 2.04, 2.71 A)
&rst
ixpk= 395, nxpk= 20, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1223,1224,
&end
#
# 4 ARG HN 4 ARG HD+ 5.00 (# 396:20 Unique 3.40, 5.06 A)
&rst
ixpk= 396, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 72, 73,
&end
#
# 4 ARG HN 4 ARG HD- 5.00 (# 397:20 Unique 3.40, 5.06 A)
&rst
ixpk= 397, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 72, 73,
&end
#
# 0 AMB 20-2:398 75 ASP HB- 5.00 (# 398:20 Single Ambig)
&rst
ixpk= 398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1207, 654,
igr2=1211,1212,
&end
#
# 63 ASN HD2+ 117 PHE HB+ 6.00 (# 399:20 Unique 5.52, 7.36 A)
&rst
ixpk= 399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1034,1035,
igr2=1850,1851,
&end
#
# 77 ASP HN 77 ASP HB+ 4.00 (# 400:20 Unique 2.15, 2.79 A)
&rst
ixpk= 400, nxpk= 20, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1242,1243,
&end
#
# 77 ASP HN 77 ASP HB- 3.00 (# 401:20 Unique 2.15, 2.79 A)
&rst
ixpk= 401, nxpk= 20, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1242,1243,
&end
#
# 97 ASP HN 14 LYS HE+ 5.00 (# 402:20 Unique 2.50, 5.38 A)
&rst
ixpk= 402, nxpk= 20, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 231, 232,
&end
#
# 0 AMB 20-2:403 0 AMB 20-1:403 6.00 (# 403:20 Double Ambig)
&rst
ixpk= 403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1034,1035,1817,1826, 434,
igr2=1850,1851,1850,1851,1850,1851,
&end
#
# 145 ALA HN 144 LEU HB+ 4.00 (# 404:20 Unique 2.64, 3.29 A)
&rst
ixpk= 404, nxpk= 20, iat=2302, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2287,2288,
&end
#
# 111 VAL HN 110 TYR HB- 4.00 (# 405:20 Unique 1.47, 3.94 A)
&rst
ixpk= 405, nxpk= 20, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1731,1732,
&end
#
# 110 TYR HN 110 TYR HB- 4.00 (# 406:20 Unique 2.48, 3.41 A)
&rst
ixpk= 406, nxpk= 20, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1731,1732,
&end
#
# 0 AMB 20-2:407 0 AMB 20-1:407 3.00 (# 407:20 Double Ambig)
&rst
ixpk= 407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1854,1862,2008,2012,
igr2=1850,1851,1731,1732,
&end
#
# 110 TYR HN 110 TYR HB+ 4.00 (# 412:20 Unique 2.48, 3.41 A)
&rst
ixpk= 412, nxpk= 20, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1731,1732,
&end
#
# 0 AMB 20-2:413 0 AMB 20-1:413 4.00 (# 413:20 Double Ambig)
&rst
ixpk= 413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 692,2283,
igr2= 696, 697,2287,2288,
&end
#
# 144 LEU HN 144 LEU HB- 4.00 (# 414:20 Unique 2.22, 2.96 A)
&rst
ixpk= 414, nxpk= 20, iat=2283, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2287,2288,
&end
#
# 145 ALA HN 144 LEU HB- 5.00 (# 415:20 Unique 2.64, 3.29 A)
&rst
ixpk= 415, nxpk= 20, iat=2302, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2287,2288,
&end
#
# 119 LYS HN 118 ASP HB- 4.00 (# 416:20 Unique 2.28, 3.23 A)
&rst
ixpk= 416, nxpk= 20, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1870,1871,
&end
#
# 117 PHE HD 115 TYR HB- 5.00 (# 417:20 Unique 2.69, 5.02 A)
&rst
ixpk= 417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1854,1862,
igr2=1813,1814,
&end
#
# 3 LEU HN 3 LEU HB+ 4.00 (# 419:20 Unique 2.59, 3.17 A)
&rst
ixpk= 419, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 47, 48,
&end
#
# 3 LEU HN 3 LEU HB- 4.00 (# 420:20 Unique 2.59, 3.17 A)
&rst
ixpk= 420, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 47, 48,
&end
#
# 4 ARG HN 3 LEU HB- 4.00 (# 422:20 Unique 2.64, 3.47 A)
&rst
ixpk= 422, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 47, 48,
&end
#
# 123 LEU HN 123 LEU HB- 4.00 (# 423:20 Unique 2.31, 2.46 A)
&rst
ixpk= 423, nxpk= 20, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1942,1943,
&end
#
# 60 ASP HN 60 ASP HB+ 3.00 (# 424:20 Unique 2.38, 3.24 A)
&rst
ixpk= 424, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 981, 982,
&end
#
# 61 GLN HN 60 ASP HB+ 5.00 (# 425:20 Unique 3.00, 3.59 A)
&rst
ixpk= 425, nxpk= 20, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 981, 982,
&end
#
# 60 ASP HN 60 ASP HB- 4.00 (# 426:20 Unique 2.38, 3.24 A)
&rst
ixpk= 426, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 981, 982,
&end
#
# 61 GLN HN 60 ASP HB- 5.00 (# 427:20 Unique 3.00, 3.59 A)
&rst
ixpk= 427, nxpk= 20, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 981, 982,
&end
#
# 74 ASP HN 74 ASP HB- 5.00 (# 428:20 Unique 2.06, 2.95 A)
&rst
ixpk= 428, nxpk= 20, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1199,1200,
&end
#
# 0 AMB 20-2:429 0 AMB 20-1:429 4.00 (# 429:20 Double Ambig)
&rst
ixpk= 429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1698,1727,
igr2=1702,1703,1702,1703,
&end
#
# 108 ASN HD2- 108 ASN HB+ 6.00 (# 430:20 Unique 2.15, 3.55 A)
&rst
ixpk= 430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1707,1708,
igr2=1702,1703,
&end
#
# 0 AMB 20-2:431 108 ASN HB- 4.00 (# 431:20 Single Ambig)
&rst
ixpk= 431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1698,1727,
igr2=1702,1703,
&end
#
# 136 LEU HN 136 LEU HB+ 5.00 (# 432:20 Unique 2.05, 2.57 A)
&rst
ixpk= 432, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2137,2138,
&end
#
# 63 ASN HD2- 63 ASN HB- 5.00 (# 433:20 Unique 2.10, 3.26 A)
&rst
ixpk= 433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1034,1035,
igr2=1029,1030,
&end
#
# 63 ASN HA 63 ASN HB- 5.00 (# 434:20 Unique 2.42, 2.78 A)
&rst
ixpk= 434, nxpk= 20, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1029,1030,
&end
#
# 63 ASN HD2- 63 ASN HB+ 4.00 (# 435:20 Unique 2.10, 3.26 A)
&rst
ixpk= 435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1034,1035,
igr2=1029,1030,
&end
#
# 63 ASN HN 63 ASN HB+ 5.00 (# 436:20 Unique 2.34, 3.06 A)
&rst
ixpk= 436, nxpk= 20, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1029,1030,
&end
#
# 63 ASN HA 63 ASN HB+ 4.00 (# 437:20 Unique 2.42, 2.78 A)
&rst
ixpk= 437, nxpk= 20, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1029,1030,
&end
#
# 106 PHE HN 106 PHE HB- 4.00 (# 438:20 Unique 2.04, 2.92 A)
&rst
ixpk= 438, nxpk= 20, iat=1663, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1667,1668,
&end
#
# 57 LYS HN 56 ASP HB+ 5.00 (# 439:20 Unique 3.24, 3.73 A)
&rst
ixpk= 439, nxpk= 20, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 909, 910,
&end
#
# 56 ASP HN 56 ASP HB+ 4.00 (# 440:20 Unique 2.00, 2.58 A)
&rst
ixpk= 440, nxpk= 20, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 909, 910,
&end
#
# 56 ASP HN 56 ASP HB- 3.00 (# 441:20 Unique 2.00, 2.58 A)
&rst
ixpk= 441, nxpk= 20, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 909, 910,
&end
#
# 106 PHE HN 104 ASP HB+ 5.00 (# 442:20 Unique 5.31, 5.90 A)
&rst
ixpk= 442, nxpk= 20, iat=1663, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1645,1646,
&end
#
# 34 ILE HN 34 ILE HB 5.00 (# 443:20 Unique 2.49, 2.80 A)
&rst
ixpk= 443, nxpk= 20, iat= 544, 548, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 GLY HN 27 ILE HB 4.00 (# 444:20 Unique 1.97, 3.48 A)
&rst
ixpk= 444, nxpk= 20, iat= 453, 438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 ILE HN 27 ILE HB 3.00 (# 445:20 Unique 2.37, 2.55 A)
&rst
ixpk= 445, nxpk= 20, iat= 434, 438, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:446 0 AMB 20-1:446 3.00 (# 446:20 Double Ambig)
&rst
ixpk= 446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1683,1727,1653,
igr2=1667,1668,1645,1646,
&end
#
# 104 ASP HN 104 ASP HB+ 4.00 (# 447:20 Unique 2.23, 2.60 A)
&rst
ixpk= 447, nxpk= 20, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1645,1646,
&end
#
# 89 ASP HN 89 ASP HB+ 4.00 (# 448:20 Unique 3.00, 3.57 A)
&rst
ixpk= 448, nxpk= 20, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1419,1420,
&end
#
# 52 ASN HD2+ 89 ASP HB+ 4.00 (# 449:20 Unique 2.74, 4.93 A)
&rst
ixpk= 449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 841, 842,
igr2=1419,1420,
&end
#
# 52 ASN HD2- 89 ASP HB+ 6.00 (# 450:20 Unique 2.74, 4.93 A)
&rst
ixpk= 450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 841, 842,
igr2=1419,1420,
&end
#
# 117 PHE HE 34 ILE HB 4.00 (# 451:20 Unique 2.05, 4.32 A)
&rst
ixpk= 451, nxpk= 20, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1856,1860,
&end
#
# 89 ASP HN 89 ASP HB- 4.00 (# 452:20 Unique 3.00, 3.57 A)
&rst
ixpk= 452, nxpk= 20, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1419,1420,
&end
#
# 52 ASN HD2+ 89 ASP HB- 4.00 (# 453:20 Unique 2.74, 4.93 A)
&rst
ixpk= 453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 841, 842,
igr2=1419,1420,
&end
#
# 52 ASN HD2- 89 ASP HB- 6.00 (# 454:20 Unique 2.74, 4.93 A)
&rst
ixpk= 454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 841, 842,
igr2=1419,1420,
&end
#
# 104 ASP HN 104 ASP HB- 3.00 (# 455:20 Unique 2.23, 2.60 A)
&rst
ixpk= 455, nxpk= 20, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1645,1646,
&end
#
# 141 ASN HD2+ 141 ASN HB+ 6.00 (# 457:20 Unique 2.12, 3.28 A)
&rst
ixpk= 457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2238,2239,
igr2=2233,2234,
&end
#
# 141 ASN HD2- 58 TYR HB- 5.00 (# 458:20 Unique 6.30, 9.08 A)
&rst
ixpk= 458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2238,2239,
igr2= 943, 944,
&end
#
# 58 TYR HA 58 TYR HB- 4.00 (# 459:20 Unique 2.32, 2.76 A)
&rst
ixpk= 459, nxpk= 20, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 943, 944,
&end
#
# 141 ASN HN 141 ASN HB- 3.00 (# 460:20 Unique 2.24, 3.04 A)
&rst
ixpk= 460, nxpk= 20, iat=2229, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2233,2234,
&end
#
# 142 ARG HN 141 ASN HB- 4.00 (# 461:20 Unique 2.96, 3.74 A)
&rst
ixpk= 461, nxpk= 20, iat=2243, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2233,2234,
&end
#
# 141 ASN HD2+ 141 ASN HB- 6.00 (# 462:20 Unique 2.12, 3.28 A)
&rst
ixpk= 462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2238,2239,
igr2=2233,2234,
&end
#
# 141 ASN HN 141 ASN HB+ 3.00 (# 463:20 Unique 2.24, 3.04 A)
&rst
ixpk= 463, nxpk= 20, iat=2229, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2233,2234,
&end
#
# 0 AMB 20-2:464 0 AMB 20-1:464 4.00 (# 464:20 Double Ambig)
&rst
ixpk= 464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1001,1002,2243,
igr2= 943, 944,2233,2234,
&end
#
# 82 LYS HN 81 ILE HB 4.00 (# 465:20 Unique 2.17, 2.40 A)
&rst
ixpk= 465, nxpk= 20, iat=1312,1297, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 ILE HN 81 ILE HB 4.00 (# 466:20 Unique 2.22, 2.42 A)
&rst
ixpk= 466, nxpk= 20, iat=1293,1297, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 55 ARG HN 54 PHE HB- 4.00 (# 467:20 Unique 2.69, 3.54 A)
&rst
ixpk= 467, nxpk= 20, iat= 881, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 865, 866,
&end
#
# 54 PHE HN 54 PHE HB- 4.00 (# 468:20 Unique 1.91, 2.66 A)
&rst
ixpk= 468, nxpk= 20, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 865, 866,
&end
#
# 54 PHE HE 54 PHE HB- 5.00 (# 469:20 Unique 4.66, 5.10 A)
&rst
ixpk= 469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 871, 875,
igr2= 865, 866,
&end
#
# 58 TYR HN 58 TYR HB- 5.00 (# 470:20 Unique 2.12, 3.05 A)
&rst
ixpk= 470, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 943, 944,
&end
#
# 55 ARG HN 54 PHE HB+ 4.00 (# 471:20 Unique 2.69, 3.54 A)
&rst
ixpk= 471, nxpk= 20, iat= 881, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 865, 866,
&end
#
# 54 PHE HN 54 PHE HB+ 3.00 (# 472:20 Unique 1.91, 2.66 A)
&rst
ixpk= 472, nxpk= 20, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 865, 866,
&end
#
# 58 TYR HA 58 TYR HB+ 5.00 (# 475:20 Unique 2.32, 2.76 A)
&rst
ixpk= 475, nxpk= 20, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 943, 944,
&end
#
# 53 GLU HN 52 ASN HB+ 3.00 (# 476:20 Unique 3.24, 3.94 A)
&rst
ixpk= 476, nxpk= 20, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 836, 837,
&end
#
# 24 GLU HN 24 GLU HG- 4.00 (# 477:20 Unique 2.06, 2.79 A)
&rst
ixpk= 477, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 390, 391,
&end
#
# 24 GLU HN 24 GLU HG+ 4.00 (# 478:20 Unique 2.06, 2.79 A)
&rst
ixpk= 478, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 390, 391,
&end
#
# 52 ASN HN 52 ASN HB+ 4.00 (# 479:20 Unique 2.04, 2.82 A)
&rst
ixpk= 479, nxpk= 20, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 836, 837,
&end
#
# 52 ASN HD2+ 52 ASN HB+ 4.00 (# 480:20 Unique 2.13, 3.33 A)
&rst
ixpk= 480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 841, 842,
igr2= 836, 837,
&end
#
# 52 ASN HD2- 52 ASN HB+ 5.00 (# 481:20 Unique 2.13, 3.33 A)
&rst
ixpk= 481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 841, 842,
igr2= 836, 837,
&end
#
# 18 ASN HD2+ 18 ASN HB+ 4.00 (# 484:20 Unique 2.10, 3.12 A)
&rst
ixpk= 484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 302, 303,
igr2= 297, 298,
&end
#
# 146 GLU HN 146 GLU HG- 3.00 (# 485:20 Unique 2.04, 3.28 A)
&rst
ixpk= 485, nxpk= 20, iat=2312, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2319,2320,
&end
#
# 34 ILE HA 65 VAL HB 6.00 (# 486:20 Unique 4.32, 4.65 A)
&rst
ixpk= 486, nxpk= 20, iat= 546,1059, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:489 0 AMB 20-1:489 3.00 (# 489:20 Double Ambig)
&rst
ixpk= 489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 846, 861,
igr2= 853, 854, 853, 854,
&end
#
# 10 LEU HN 9 GLU HG+ 4.00 (# 490:20 Unique 4.53, 5.28 A)
&rst
ixpk= 490, nxpk= 20, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 155, 156,
&end
#
# 146 GLU HN 146 GLU HG+ 3.00 (# 491:20 Unique 2.04, 3.28 A)
&rst
ixpk= 491, nxpk= 20, iat=2312, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2319,2320,
&end
#
# 0 AMB 20-2:492 29 GLU HG- 6.00 (# 492:20 Single Ambig)
&rst
ixpk= 492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 460, 453,
igr2= 467, 468,
&end
#
# 46 GLU HN 46 GLU HG- 3.00 (# 493:20 Unique 2.01, 2.58 A)
&rst
ixpk= 493, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 750, 751,
&end
#
# 47 ALA HN 46 GLU HG+ 5.00 (# 494:20 Unique 4.14, 4.65 A)
&rst
ixpk= 494, nxpk= 20, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 750, 751,
&end
#
# 46 GLU HN 46 GLU HG+ 3.00 (# 495:20 Unique 2.01, 2.58 A)
&rst
ixpk= 495, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 750, 751,
&end
#
# 0 AMB 20-2:496 53 GLU HG- 3.00 (# 496:20 Single Ambig)
&rst
ixpk= 496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 846, 861,
igr2= 853, 854,
&end
#
# 0 AMB 20-2:497 65 VAL HB 3.00 (# 497:20 Single Ambig)
&rst
ixpk= 497, nxpk= 20, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1071,1055,
&end
#
# 9 GLU HN 9 GLU HG+ 3.00 (# 500:20 Unique 3.34, 4.01 A)
&rst
ixpk= 500, nxpk= 20, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 155, 156,
&end
#
# 10 LEU HN 9 GLU HG- 4.00 (# 502:20 Unique 4.53, 5.28 A)
&rst
ixpk= 502, nxpk= 20, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 155, 156,
&end
#
# 9 GLU HN 9 GLU HG- 3.00 (# 503:20 Unique 3.34, 4.01 A)
&rst
ixpk= 503, nxpk= 20, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 155, 156,
&end
#
# 0 AMB 20-2:504 0 AMB 20-1:504 5.00 (# 504:20 Double Ambig)
&rst
ixpk= 504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 841, 842, 869, 877,
igr2= 853, 854,2159,2160,
&end
#
# 0 AMB 20-2:505 109 GLU HG- 5.00 (# 505:20 Single Ambig)
&rst
ixpk= 505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1727,1698,
igr2=1719,1720,
&end
#
# 69 MET HN 69 MET HB+ 4.00 (# 506:20 Unique 2.08, 2.70 A)
&rst
ixpk= 506, nxpk= 20, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1118,1119,
&end
#
# 90 ILE HN 90 ILE HB 4.00 (# 508:20 Unique 2.31, 3.44 A)
&rst
ixpk= 508, nxpk= 20, iat=1427,1431, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:510 50 GLN HG- 3.00 (# 510:20 Single Ambig)
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 799, 811, 812,
igr2= 806, 807,
&end
#
# 87 GLU HN 87 GLU HG- 4.00 (# 511:20 Unique 2.90, 3.58 A)
&rst
ixpk= 511, nxpk= 20, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1390,1391,
&end
#
# 0 AMB 20-2:512 0 AMB 20-1:512 3.00 (# 512:20 Double Ambig)
&rst
ixpk= 512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 799, 811, 812,
igr2= 806, 807, 806, 807,
&end
#
# 22 THR HN 21 VAL HB 4.00 (# 513:20 Unique 1.97, 3.02 A)
&rst
ixpk= 513, nxpk= 20, iat= 345, 333, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 LYS HN 30 LYS HB+ 5.00 (# 514:20 Unique 2.32, 3.14 A)
&rst
ixpk= 514, nxpk= 20, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 479, 480,
&end
#
# 0 AMB 20-2:515 0 AMB 20-1:515 5.00 (# 515:20 Double Ambig)
&rst
ixpk= 515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 98, 99,2008,2012,
igr2= 8, 9, 8, 9,
&end
#
# 30 LYS HA 30 LYS HB+ 4.00 (# 516:20 Unique 2.23, 2.75 A)
&rst
ixpk= 516, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 479, 480,
&end
#
# 30 LYS HN 30 LYS HB- 4.00 (# 517:20 Unique 2.32, 3.14 A)
&rst
ixpk= 517, nxpk= 20, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 479, 480,
&end
#
# 0 AMB 20-2:518 0 AMB 20-1:518 3.00 (# 518:20 Double Ambig)
&rst
ixpk= 518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 477, 329,
igr2= 479, 480, 333, 321, 322,
&end
#
# 0 AMB 20-2:519 0 AMB 20-1:519 5.00 (# 519:20 Double Ambig)
&rst
ixpk= 519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 314, 410, 411,
igr2= 321, 322, 333,
&end
#
# 21 VAL HN 20 GLU HG+ 6.00 (# 520:20 Unique 2.67, 4.70 A)
&rst
ixpk= 520, nxpk= 20, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 321, 322,
&end
#
# 20 GLU HN 20 GLU HG+ 5.00 (# 521:20 Unique 1.86, 3.58 A)
&rst
ixpk= 521, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 321, 322,
&end
#
# 37 TRP HA 112 PRO HB+ 5.00 (# 522:20 Unique 2.12, 3.12 A)
&rst
ixpk= 522, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1771,1772,
&end
#
# 0 AMB 20-2:523 1 MET HB- 5.00 (# 523:20 Single Ambig)
&rst
ixpk= 523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 98, 99,2008,2012,
igr2= 8, 9,
&end
#
# 59 GLN HE2- 61 GLN HG+ 5.00 (# 525:20 Unique 6.43, 9.47 A)
&rst
ixpk= 525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 972, 973,
igr2= 996, 997,
&end
#
# 61 GLN HE2+ 61 GLN HG+ 4.00 (# 526:20 Unique 2.10, 3.39 A)
&rst
ixpk= 526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1001,1002,
igr2= 996, 997,
&end
#
# 61 GLN HN 61 GLN HG- 4.00 (# 527:20 Unique 1.92, 3.67 A)
&rst
ixpk= 527, nxpk= 20, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 996, 997,
&end
#
# 122 GLN HN 122 GLN HG+ 4.00 (# 528:20 Unique 2.58, 3.52 A)
&rst
ixpk= 528, nxpk= 20, iat=1921, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1928,1929,
&end
#
# 2 LYS HN 2 LYS HB+ 4.00 (# 530:20 Unique 2.50, 3.41 A)
&rst
ixpk= 530, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 25, 26,
&end
#
# 61 GLN HN 61 GLN HG+ 4.00 (# 532:20 Unique 1.92, 3.67 A)
&rst
ixpk= 532, nxpk= 20, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 996, 997,
&end
#
# 122 GLN HN 122 GLN HG- 4.00 (# 534:20 Unique 2.58, 3.52 A)
&rst
ixpk= 534, nxpk= 20, iat=1921, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1928,1929,
&end
#
# 0 AMB 20-2:535 0 AMB 20-1:535 4.00 (# 535:20 Double Ambig)
&rst
ixpk= 535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1933,1934,1981,
igr2=1928,1929,1985,1986,
&end
#
# 61 GLN HE2+ 61 GLN HG- 5.00 (# 536:20 Unique 2.10, 3.39 A)
&rst
ixpk= 536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1001,1002,
igr2= 996, 997,
&end
#
# 122 GLN HE2+ 122 GLN HG+ 6.00 (# 537:20 Unique 2.10, 3.24 A)
&rst
ixpk= 537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1933,1934,
igr2=1928,1929,
&end
#
# 64 VAL HN 64 VAL HB 3.00 (# 538:20 Unique 2.27, 2.54 A)
&rst
ixpk= 538, nxpk= 20, iat=1039,1043, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 3 LEU HN 2 LYS HB+ 4.00 (# 539:20 Unique 2.01, 3.45 A)
&rst
ixpk= 539, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 25, 26,
&end
#
# 3 LEU HN 2 LYS HB- 6.00 (# 540:20 Unique 2.01, 3.45 A)
&rst
ixpk= 540, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 25, 26,
&end
#
# 2 LYS HN 2 LYS HB- 5.00 (# 541:20 Unique 2.50, 3.41 A)
&rst
ixpk= 541, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 25, 26,
&end
#
# 5 GLN HE2- 5 GLN HG+ 3.00 (# 542:20 Unique 2.10, 3.39 A)
&rst
ixpk= 542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 98, 99,
igr2= 93, 94,
&end
#
# 25 GLN HE2+ 25 GLN HG- 4.00 (# 543:20 Unique 2.10, 3.29 A)
&rst
ixpk= 543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 410, 411,
igr2= 405, 406,
&end
#
# 0 AMB 20-2:544 31 PRO HB- 4.00 (# 544:20 Single Ambig)
&rst
ixpk= 544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 511,1866,
igr2= 504, 505,
&end
#
# 59 GLN HN 59 GLN HG+ 3.00 (# 545:20 Unique 3.36, 4.36 A)
&rst
ixpk= 545, nxpk= 20, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 967, 968,
&end
#
# 32 THR HN 31 PRO HB+ 4.00 (# 546:20 Unique 2.77, 3.25 A)
&rst
ixpk= 546, nxpk= 20, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 504, 505,
&end
#
# 60 ASP HN 59 GLN HG+ 5.00 (# 547:20 Unique 4.19, 5.20 A)
&rst
ixpk= 547, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 967, 968,
&end
#
# 60 ASP HN 59 GLN HG- 6.00 (# 548:20 Unique 4.19, 5.20 A)
&rst
ixpk= 548, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 967, 968,
&end
#
# 125 HIS HN 116 VAL HB 4.00 (# 549:20 Unique 2.56, 3.28 A)
&rst
ixpk= 549, nxpk= 20, iat=1981,1834, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 116 VAL HN 116 VAL HB 5.00 (# 550:20 Unique 2.15, 2.57 A)
&rst
ixpk= 550, nxpk= 20, iat=1830,1834, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 GLU HN 29 GLU HB+ 6.00 (# 551:20 Unique 2.67, 3.44 A)
&rst
ixpk= 551, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 464, 465,
&end
#
# 30 LYS HN 29 GLU HB+ 5.00 (# 552:20 Unique 2.09, 3.44 A)
&rst
ixpk= 552, nxpk= 20, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 464, 465,
&end
#
# 30 LYS HN 29 GLU HB- 4.00 (# 553:20 Unique 2.09, 3.44 A)
&rst
ixpk= 553, nxpk= 20, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 464, 465,
&end
#
# 29 GLU HN 29 GLU HB- 4.00 (# 554:20 Unique 2.67, 3.44 A)
&rst
ixpk= 554, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 464, 465,
&end
#
# 67 VAL HN 67 VAL HB 5.00 (# 555:20 Unique 2.60, 2.91 A)
&rst
ixpk= 555, nxpk= 20, iat=1081,1085, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 36 PHE HA 67 VAL HB 4.00 (# 556:20 Unique 1.98, 2.89 A)
&rst
ixpk= 556, nxpk= 20, iat= 582,1085, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 59 GLN HN 59 GLN HG- 3.00 (# 557:20 Unique 3.36, 4.36 A)
&rst
ixpk= 557, nxpk= 20, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 967, 968,
&end
#
# 61 GLN HN 61 GLN HB+ 5.00 (# 558:20 Unique 2.39, 3.17 A)
&rst
ixpk= 558, nxpk= 20, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 993, 994,
&end
#
# 83 GLU HN 82 LYS HB+ 3.00 (# 559:20 Unique 2.46, 3.51 A)
&rst
ixpk= 559, nxpk= 20, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1316,1317,
&end
#
# 82 LYS HN 82 LYS HB+ 3.00 (# 560:20 Unique 2.10, 2.48 A)
&rst
ixpk= 560, nxpk= 20, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1316,1317,
&end
#
# 82 LYS HN 82 LYS HB- 3.00 (# 561:20 Unique 2.10, 2.48 A)
&rst
ixpk= 561, nxpk= 20, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1316,1317,
&end
#
# 0 AMB 20-2:562 0 AMB 20-1:562 5.00 (# 562:20 Double Ambig)
&rst
ixpk= 562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 240,1558,
igr2= 222, 223, 222, 223,
&end
#
# 57 LYS HN 57 LYS HB- 3.00 (# 563:20 Unique 2.17, 2.68 A)
&rst
ixpk= 563, nxpk= 20, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 921, 922,
&end
#
# 58 TYR HN 57 LYS HB- 4.00 (# 564:20 Unique 2.16, 3.39 A)
&rst
ixpk= 564, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 921, 922,
&end
#
# 0 AMB 20-2:565 14 LYS HB- 5.00 (# 565:20 Single Ambig)
&rst
ixpk= 565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 240,1558,
igr2= 222, 223,
&end
#
# 57 LYS HN 57 LYS HB+ 3.00 (# 566:20 Unique 2.17, 2.68 A)
&rst
ixpk= 566, nxpk= 20, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 921, 922,
&end
#
# 7 MET HN 6 PRO HB+ 4.00 (# 567:20 Unique 1.83, 2.59 A)
&rst
ixpk= 567, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 110, 111,
&end
#
# 0 AMB 20-2:568 0 AMB 20-1:568 3.00 (# 568:20 Double Ambig)
&rst
ixpk= 568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1334, 743,
igr2=1316,1317, 725, 726,
&end
#
# 80 LYS HN 80 LYS HB- 3.00 (# 570:20 Unique 2.24, 3.09 A)
&rst
ixpk= 570, nxpk= 20, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1275,1276,
&end
#
# 7 MET HN 6 PRO HB- 4.00 (# 571:20 Unique 1.83, 2.59 A)
&rst
ixpk= 571, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 110, 111,
&end
#
# 58 TYR HN 57 LYS HB+ 4.00 (# 572:20 Unique 2.16, 3.39 A)
&rst
ixpk= 572, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 921, 922,
&end
#
# 35 HIS HA 35 HIS HB- 5.00 (# 573:20 Unique 2.22, 2.47 A)
&rst
ixpk= 573, nxpk= 20, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 567, 568,
&end
#
# 36 PHE HN 35 HIS HB+ 6.00 (# 574:20 Unique 3.12, 3.63 A)
&rst
ixpk= 574, nxpk= 20, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 567, 568,
&end
#
# 35 HIS HA 35 HIS HB+ 5.00 (# 575:20 Unique 2.22, 2.47 A)
&rst
ixpk= 575, nxpk= 20, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 567, 568,
&end
#
# 9 GLU HN 8 PRO HB- 3.00 (# 576:20 Unique 2.06, 3.12 A)
&rst
ixpk= 576, nxpk= 20, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 141, 142,
&end
#
# 0 AMB 20-2:577 0 AMB 20-1:577 6.00 (# 577:20 Double Ambig)
&rst
ixpk= 577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1264,1349, 218,
igr2=1257,1258,1316,1317,1257,1258,
&end
#
# 45 LYS HN 45 LYS HB+ 5.00 (# 578:20 Unique 2.00, 2.91 A)
&rst
ixpk= 578, nxpk= 20, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 725, 726,
&end
#
# 138 LYS HN 138 LYS HB- 3.00 (# 579:20 Unique 2.88, 3.29 A)
&rst
ixpk= 579, nxpk= 20, iat=2167, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2171,2172,
&end
#
# 9 GLU HN 8 PRO HB+ 4.00 (# 580:20 Unique 2.06, 3.12 A)
&rst
ixpk= 580, nxpk= 20, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 141, 142,
&end
#
# 119 LYS HN 119 LYS HB+ 5.00 (# 581:20 Unique 2.06, 2.96 A)
&rst
ixpk= 581, nxpk= 20, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1882,1883,
&end
#
# 110 TYR HN 109 GLU HB- 4.00 (# 583:20 Unique 2.46, 4.06 A)
&rst
ixpk= 583, nxpk= 20, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1716,1717,
&end
#
# 110 TYR HN 109 GLU HB- 4.00 (# 584:20 Unique 2.46, 4.06 A)
&rst
ixpk= 584, nxpk= 20, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1716,1717,
&end
#
# 16 TRP HA 16 TRP HB- 5.00 (# 585:20 Unique 2.21, 2.62 A)
&rst
ixpk= 585, nxpk= 20, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 254, 255,
&end
#
# 144 LEU HN 143 VAL HB 4.00 (# 587:20 Unique 2.40, 3.74 A)
&rst
ixpk= 587, nxpk= 20, iat=2283,2271, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 142 ARG HN 143 VAL HB 5.00 (# 588:20 Unique 4.55, 4.80 A)
&rst
ixpk= 588, nxpk= 20, iat=2243,2271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 143 VAL HN 143 VAL HB 3.00 (# 589:20 Unique 2.07, 2.29 A)
&rst
ixpk= 589, nxpk= 20, iat=2267,2271, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 140 VAL HN 140 VAL HB 3.00 (# 591:20 Unique 1.98, 2.36 A)
&rst
ixpk= 591, nxpk= 20, iat=2213,2217, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 141 ASN HN 140 VAL HB 3.00 (# 592:20 Unique 2.01, 2.44 A)
&rst
ixpk= 592, nxpk= 20, iat=2229,2217, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 52 ASN HN 51 VAL HB 3.00 (# 593:20 Unique 2.86, 3.26 A)
&rst
ixpk= 593, nxpk= 20, iat= 832, 820, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 VAL HN 51 VAL HB 3.00 (# 594:20 Unique 2.00, 2.29 A)
&rst
ixpk= 594, nxpk= 20, iat= 816, 820, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 148 GLU HN 148 GLU HB+ 3.00 (# 595:20 Unique 3.18, 3.61 A)
&rst
ixpk= 595, nxpk= 20, iat=2341, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2345,2346,
&end
#
# 0 AMB 20-2:596 0 AMB 20-1:596 4.00 (# 596:20 Double Ambig)
&rst
ixpk= 596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 811, 812, 799,
igr2= 792, 793, 792, 793,
&end
#
# 21 VAL HN 20 GLU HB- 4.00 (# 597:20 Unique 2.20, 3.77 A)
&rst
ixpk= 597, nxpk= 20, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 318, 319,
&end
#
# 20 GLU HN 20 GLU HB+ 4.00 (# 598:20 Unique 2.07, 3.07 A)
&rst
ixpk= 598, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 318, 319,
&end
#
# 23 ARG HN 23 ARG HB+ 4.00 (# 600:20 Unique 2.28, 3.05 A)
&rst
ixpk= 600, nxpk= 20, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 363, 364,
&end
#
# 24 GLU HN 23 ARG HB+ 4.00 (# 601:20 Unique 3.17, 4.13 A)
&rst
ixpk= 601, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 363, 364,
&end
#
# 0 AMB 20-2:602 0 AMB 20-1:602 4.00 (# 602:20 Double Ambig)
&rst
ixpk= 602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1938, 917,
igr2=1925,1926, 885, 886,
&end
#
# 122 GLN HN 122 GLN HB+ 4.00 (# 603:20 Unique 2.55, 3.23 A)
&rst
ixpk= 603, nxpk= 20, iat=1921, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1925,1926,
&end
#
# 46 GLU HN 46 GLU HB+ 4.00 (# 605:20 Unique 2.48, 3.11 A)
&rst
ixpk= 605, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 747, 748,
&end
#
# 47 ALA HN 46 GLU HB+ 4.00 (# 606:20 Unique 2.98, 3.94 A)
&rst
ixpk= 606, nxpk= 20, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 747, 748,
&end
#
# 83 GLU HN 83 GLU HB+ 5.00 (# 608:20 Unique 2.02, 2.69 A)
&rst
ixpk= 608, nxpk= 20, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1338,1339,
&end
#
# 84 THR HN 83 GLU HB- 3.00 (# 609:20 Unique 2.47, 2.99 A)
&rst
ixpk= 609, nxpk= 20, iat=1349, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1338,1339,
&end
#
# 83 GLU HN 83 GLU HB- 3.00 (# 610:20 Unique 2.02, 2.69 A)
&rst
ixpk= 610, nxpk= 20, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1338,1339,
&end
#
# 46 GLU HN 46 GLU HB- 3.00 (# 611:20 Unique 2.48, 3.11 A)
&rst
ixpk= 611, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 747, 748,
&end
#
# 5 GLN HE2+ 5 GLN HB- 4.00 (# 612:20 Unique 1.82, 3.84 A)
&rst
ixpk= 612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 98, 99,
igr2= 90, 91,
&end
#
# 9 GLU HN 9 GLU HB- 3.00 (# 613:20 Unique 2.62, 3.35 A)
&rst
ixpk= 613, nxpk= 20, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 152, 153,
&end
#
# 142 ARG HN 142 ARG HB+ 3.00 (# 614:20 Unique 2.02, 2.63 A)
&rst
ixpk= 614, nxpk= 20, iat=2243, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2247,2248,
&end
#
# 10 LEU HN 9 GLU HB+ 5.00 (# 615:20 Unique 3.83, 4.42 A)
&rst
ixpk= 615, nxpk= 20, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 152, 153,
&end
#
# 9 GLU HN 9 GLU HB+ 3.00 (# 616:20 Unique 2.62, 3.35 A)
&rst
ixpk= 616, nxpk= 20, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 152, 153,
&end
#
# 5 GLN HE2- 5 GLN HB+ 3.00 (# 617:20 Unique 1.82, 3.84 A)
&rst
ixpk= 617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 98, 99,
igr2= 90, 91,
&end
#
# 87 GLU HN 87 GLU HB- 3.00 (# 618:20 Unique 2.10, 2.87 A)
&rst
ixpk= 618, nxpk= 20, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1387,1388,
&end
#
# 5 GLN HE2- 5 GLN HB- 3.00 (# 621:20 Unique 1.82, 3.84 A)
&rst
ixpk= 621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 98, 99,
igr2= 90, 91,
&end
#
# 87 GLU HN 87 GLU HB+ 3.00 (# 622:20 Unique 2.10, 2.87 A)
&rst
ixpk= 622, nxpk= 20, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1387,1388,
&end
#
# 82 LYS HN 82 LYS HD+ 5.00 (# 623:20 Unique 3.51, 4.79 A)
&rst
ixpk= 623, nxpk= 20, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1322,1323,
&end
#
# 0 AMB 20-2:625 25 GLN HB- 3.00 (# 625:20 Single Ambig)
&rst
ixpk= 625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 345, 398,
igr2= 402, 403,
&end
#
# 146 GLU HN 146 GLU HB- 3.00 (# 627:20 Unique 2.23, 3.16 A)
&rst
ixpk= 627, nxpk= 20, iat=2312, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2316,2317,
&end
#
# 47 ALA HN 50 GLN HB- 5.00 (# 628:20 Unique 4.94, 6.20 A)
&rst
ixpk= 628, nxpk= 20, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 803, 804,
&end
#
# 0 AMB 20-2:629 0 AMB 20-1:629 3.00 (# 629:20 Double Ambig)
&rst
ixpk= 629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 345, 398,
igr2= 402, 403, 402, 403,
&end
#
# 138 LYS HN 138 LYS HD+ 5.00 (# 630:20 Unique 1.84, 2.29 A)
&rst
ixpk= 630, nxpk= 20, iat=2167, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2177,2178,
&end
#
# 63 ASN HD2+ 30 LYS HD- 6.00 (# 631:20 Unique 3.08, 6.17 A)
&rst
ixpk= 631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1034,1035,
igr2= 485, 486,
&end
#
# 0 AMB 20-2:632 50 GLN HB- 3.00 (# 632:20 Single Ambig)
&rst
ixpk= 632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 811, 812, 799,
igr2= 803, 804,
&end
#
# 0 AMB 20-2:633 53 GLU HB- 3.00 (# 633:20 Single Ambig)
&rst
ixpk= 633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 846, 861,
igr2= 850, 851,
&end
#
# 24 GLU HN 24 GLU HB- 3.00 (# 634:20 Unique 2.29, 3.03 A)
&rst
ixpk= 634, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 387, 388,
&end
#
# 0 AMB 20-2:635 0 AMB 20-1:635 3.00 (# 635:20 Double Ambig)
&rst
ixpk= 635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 846, 861,
igr2= 850, 851, 850, 851,
&end
#
# 59 GLN HN 59 GLN HB+ 3.00 (# 636:20 Unique 2.02, 2.59 A)
&rst
ixpk= 636, nxpk= 20, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 964, 965,
&end
#
# 59 GLN HN 59 GLN HB- 3.00 (# 637:20 Unique 2.02, 2.59 A)
&rst
ixpk= 637, nxpk= 20, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 964, 965,
&end
#
# 24 GLU HN 24 GLU HB+ 3.00 (# 638:20 Unique 2.29, 3.03 A)
&rst
ixpk= 638, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 387, 388,
&end
#
# 0 AMB 20-2:639 0 AMB 20-1:639 5.00 (# 639:20 Double Ambig)
&rst
ixpk= 639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 546, 527,
igr2= 554, 555, 554, 555,
&end
#
# 50 GLN HN 50 GLN HB+ 3.00 (# 640:20 Unique 2.20, 2.97 A)
&rst
ixpk= 640, nxpk= 20, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 803, 804,
&end
#
# 139 ARG HN 139 ARG HB+ 5.00 (# 642:20 Unique 2.03, 2.79 A)
&rst
ixpk= 642, nxpk= 20, iat=2189, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2193,2194,
&end
#
# 0 AMB 20-2:643 34 ILE HG1- 4.00 (# 643:20 Single Ambig)
&rst
ixpk= 643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 546, 527,
igr2= 554, 555,
&end
#
# 4 ARG HN 4 ARG HG+ 5.00 (# 645:20 Unique 2.74, 3.63 A)
&rst
ixpk= 645, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 69, 70,
&end
#
# 81 ILE HN 81 ILE HG1+ 5.00 (# 646:20 Unique 1.90, 2.83 A)
&rst
ixpk= 646, nxpk= 20, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1303,1304,
&end
#
# 48 MET HN 48 MET HB- 5.00 (# 647:20 Unique 1.97, 2.83 A)
&rst
ixpk= 647, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 772, 773,
&end
#
# 0 AMB 20-2:648 0 AMB 20-1:648 4.00 (# 648:20 Double Ambig)
&rst
ixpk= 648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1683,1698,
igr2=1687,1688,1687,1688,
&end
#
# 0 AMB 20-2:649 107 GLU HB- 4.00 (# 649:20 Single Ambig)
&rst
ixpk= 649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1683,1698,
igr2=1687,1688,
&end
#
# 30 LYS HA 31 PRO HG- 4.00 (# 650:20 Unique 4.24, 4.53 A)
&rst
ixpk= 650, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 501, 502,
&end
#
# 4 ARG HN 4 ARG HG- 6.00 (# 651:20 Unique 2.74, 3.63 A)
&rst
ixpk= 651, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 69, 70,
&end
#
# 79 GLY HN 78 PRO HG+ 5.00 (# 652:20 Unique 3.75, 4.47 A)
&rst
ixpk= 652, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1254,1255,
&end
#
# 30 LYS HA 31 PRO HG- 4.00 (# 653:20 Unique 4.24, 4.53 A)
&rst
ixpk= 653, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 501, 502,
&end
#
# 3 LEU HN 3 LEU HG 3.00 (# 654:20 Unique 1.82, 1.97 A)
&rst
ixpk= 654, nxpk= 20, iat= 43, 50, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 10 LEU HN 10 LEU HG 4.00 (# 655:20 Unique 2.15, 3.59 A)
&rst
ixpk= 655, nxpk= 20, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:656 0 AMB 20-1:656 4.00 (# 656:20 Double Ambig)
&rst
ixpk= 656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1238,2267,
igr2=1226,2250,2251,
&end
#
# 142 ARG HN 142 ARG HG+ 3.00 (# 657:20 Unique 3.16, 3.91 A)
&rst
ixpk= 657, nxpk= 20, iat=2243, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2250,2251,
&end
#
# 17 LEU HN 17 LEU HG 5.00 (# 658:20 Unique 2.05, 4.14 A)
&rst
ixpk= 658, nxpk= 20, iat= 274, 281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 144 LEU HN 144 LEU HG 3.00 (# 659:20 Unique 2.03, 2.62 A)
&rst
ixpk= 659, nxpk= 20, iat=2283,2290, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 27 ILE HN 27 ILE HG1- 4.00 (# 660:20 Unique 1.82, 2.57 A)
&rst
ixpk= 660, nxpk= 20, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 444, 445,
&end
#
# 58 TYR HD 62 LEU MDY 6.00 (# 661:20 Unique 1.97, 5.45 A)
&rst
ixpk= 661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 947, 956,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 76 LEU HN 76 LEU HG 4.00 (# 662:20 Unique 2.96, 3.79 A)
&rst
ixpk= 662, nxpk= 20, iat=1219,1226, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 90 ILE HN 90 ILE HG1- 6.00 (# 663:20 Unique 1.79, 2.54 A)
&rst
ixpk= 663, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1437,1438,
&end
#
# 27 ILE HN 27 ILE HG1+ 5.00 (# 664:20 Unique 1.82, 2.57 A)
&rst
ixpk= 664, nxpk= 20, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 444, 445,
&end
#
# 26 LEU HN 26 LEU MDY 4.00 (# 665:20 Unique 2.73, 4.44 A)
&rst
ixpk= 665, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 424, 425, 426, 428, 429, 430,
&end
#
# 54 PHE HD 62 LEU MDY 5.00 (# 666:20 Unique 2.68, 8.02 A)
&rst
ixpk= 666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 869, 877,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 106 PHE HE 102 LEU HG 6.00 (# 667:20 Unique 1.91, 7.18 A)
&rst
ixpk= 667, nxpk= 20, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1673,1677,
&end
#
# 106 PHE HD 102 LEU HG 6.00 (# 668:20 Unique 3.25, 6.47 A)
&rst
ixpk= 668, nxpk= 20, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1671,1679,
&end
#
# 33 LEU HN 33 LEU MDX 4.00 (# 671:20 Unique 3.54, 5.15 A)
&rst
ixpk= 671, nxpk= 20, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 4 ARG HN 123 LEU MDX 5.00 (# 672:20 Unique 3.42, 5.69 A)
&rst
ixpk= 672, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 54 PHE HD 33 LEU MDX 5.00 (# 673:20 Unique 1.97, 7.48 A)
&rst
ixpk= 673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 869, 877,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 0 AMB 20-2:675 33 LEU MDX 6.00 (# 675:20 Single Ambig)
&rst
ixpk= 675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 527, 546,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 117 PHE HD 123 LEU MDX 4.00 (# 677:20 Unique 2.79, 5.44 A)
&rst
ixpk= 677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1854,1862,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 26 LEU HN 26 LEU HG 6.00 (# 678:20 Unique 1.98, 2.53 A)
&rst
ixpk= 678, nxpk= 20, iat= 415, 422, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU HN 26 LEU HG 5.00 (# 679:20 Unique 1.98, 2.53 A)
&rst
ixpk= 679, nxpk= 20, iat= 415, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:680 39 ILE HG1- 6.00 (# 680:20 Single Ambig)
&rst
ixpk= 680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 654,1207,
igr2= 645, 646,
&end
#
# 144 LEU HN 144 LEU MDY 4.00 (# 681:20 Unique 2.59, 4.37 A)
&rst
ixpk= 681, nxpk= 20, iat=2283, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2292,2293,2294,2296,2297,2298,
&end
#
# 54 PHE HE 136 LEU MDY 4.00 (# 682:20 Unique 1.97, 6.97 A)
&rst
ixpk= 682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 871, 875,
igr2=2142,2143,2144,2146,2147,2148,
&end
#
# 80 LYS HN 80 LYS HG- 4.00 (# 684:20 Unique 1.87, 3.18 A)
&rst
ixpk= 684, nxpk= 20, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1278,1279,
&end
#
# 139 ARG HN 139 ARG HG+ 4.00 (# 685:20 Unique 1.98, 3.45 A)
&rst
ixpk= 685, nxpk= 20, iat=2189, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2196,2197,
&end
#
# 138 LYS HN 138 LYS HG- 4.00 (# 686:20 Unique 1.83, 2.64 A)
&rst
ixpk= 686, nxpk= 20, iat=2167, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2174,2175,
&end
#
# 76 LEU HN 76 LEU MDY 4.00 (# 688:20 Unique 1.94, 5.03 A)
&rst
ixpk= 688, nxpk= 20, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1228,1229,1230,1232,1233,1234,
&end
#
# 17 LEU HN 17 LEU MDX 5.00 (# 689:20 Unique 1.96, 4.21 A)
&rst
ixpk= 689, nxpk= 20, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 283, 284, 285, 287, 288, 289,
&end
#
# 82 LYS HN 17 LEU MDX 5.00 (# 690:20 Unique 2.69, 4.66 A)
&rst
ixpk= 690, nxpk= 20, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 283, 284, 285, 287, 288, 289,
&end
#
# 114 TYR HN 113 ALA MB 4.00 (# 691:20 Unique 2.30, 3.35 A)
&rst
ixpk= 691, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1782,1783,1784,
&end
#
# 108 ASN HD2- 113 ALA MB 4.00 (# 692:20 Unique 5.32, 7.89 A)
&rst
ixpk= 692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1707,1708,
igr2=1782,1783,1784,
&end
#
# 115 TYR HE 113 ALA MB 3.00 (# 696:20 Unique 1.96, 5.04 A)
&rst
ixpk= 696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1819,1824,
igr2=1782,1783,1784,
&end
#
# 108 ASN HD2+ 113 ALA MB 6.00 (# 697:20 Unique 5.32, 7.89 A)
&rst
ixpk= 697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1707,1708,
igr2=1782,1783,1784,
&end
#
# 0 AMB 20-2:698 0 AMB 20-1:698 4.00 (# 698:20 Double Ambig)
&rst
ixpk= 698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2152,1312,
igr2=2174,2175,1319,1320,1278,1279,
&end
#
# 80 LYS HN 80 LYS HG+ 4.00 (# 699:20 Unique 1.87, 3.18 A)
&rst
ixpk= 699, nxpk= 20, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1278,1279,
&end
#
# 0 AMB 20-2:700 113 ALA MB 3.00 (# 700:20 Single Ambig)
&rst
ixpk= 700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2008,2012,1778,
igr2=1782,1783,1784,
&end
#
# 2 LYS HN 2 LYS HG- 4.00 (# 701:20 Unique 1.92, 2.92 A)
&rst
ixpk= 701, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 28, 29,
&end
#
# 3 LEU HN 2 LYS HG- 4.00 (# 702:20 Unique 3.11, 4.77 A)
&rst
ixpk= 702, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 28, 29,
&end
#
# 34 ILE HN 33 LEU MDY 4.00 (# 703:20 Unique 1.93, 4.37 A)
&rst
ixpk= 703, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 0 AMB 20-2:707 33 LEU MDY 3.00 (# 707:20 Single Ambig)
&rst
ixpk= 707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 527, 546,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 114 TYR HA 33 LEU MDY 4.00 (# 708:20 Unique 2.97, 5.13 A)
&rst
ixpk= 708, nxpk= 20, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 116 VAL HA 33 LEU MDY 5.00 (# 709:20 Unique 2.07, 4.97 A)
&rst
ixpk= 709, nxpk= 20, iat=1832, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 4 ARG HN 3 LEU MDX 6.00 (# 710:20 Unique 3.23, 5.36 A)
&rst
ixpk= 710, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 3 LEU HN 3 LEU MDX 4.00 (# 711:20 Unique 2.09, 3.97 A)
&rst
ixpk= 711, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 115 TYR HN 33 LEU MDY 4.00 (# 713:20 Unique 2.26, 4.82 A)
&rst
ixpk= 713, nxpk= 20, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 108 ASN HD2- 111 VAL MGX 4.00 (# 714:20 Unique 1.89, 4.36 A)
&rst
ixpk= 714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1707,1708,
igr2=1754,1755,1756,1758,1759,1760,
&end
#
# 37 TRP HA 111 VAL MGX 6.00 (# 715:20 Unique 2.44, 5.28 A)
&rst
ixpk= 715, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1754,1755,1756,1758,1759,1760,
&end
#
# 37 TRP HN 111 VAL MGX 5.00 (# 716:20 Unique 3.70, 5.86 A)
&rst
ixpk= 716, nxpk= 20, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1754,1755,1756,1758,1759,1760,
&end
#
# 111 VAL HN 111 VAL MGX 4.00 (# 717:20 Unique 1.85, 3.95 A)
&rst
ixpk= 717, nxpk= 20, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1754,1755,1756,1758,1759,1760,
&end
#
# 113 ALA HN 111 VAL MGX 5.00 (# 718:20 Unique 3.42, 5.39 A)
&rst
ixpk= 718, nxpk= 20, iat=1778, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1754,1755,1756,1758,1759,1760,
&end
#
# 144 LEU HN 144 LEU MDX 4.00 (# 719:20 Unique 2.59, 4.37 A)
&rst
ixpk= 719, nxpk= 20, iat=2283, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2292,2293,2294,2296,2297,2298,
&end
#
# 0 AMB 20-2:720 102 LEU MDX 4.00 (# 720:20 Single Ambig)
&rst
ixpk= 720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 182,1817,1826,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 5 GLN HE2+ 102 LEU MDX 6.00 (# 721:20 Unique 5.09, 9.04 A)
&rst
ixpk= 721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 98, 99,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 36 PHE HD 102 LEU MDX 4.00 (# 722:20 Unique 2.89, 6.78 A)
&rst
ixpk= 722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 588, 596,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 0 AMB 20-2:724 10 LEU MDY 5.00 (# 724:20 Single Ambig)
&rst
ixpk= 724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 182,1817,1826,
igr2= 172, 173, 174, 176, 177, 178,
&end
#
# 125 HIS HN 123 LEU MDY 4.00 (# 725:20 Unique 1.98, 4.72 A)
&rst
ixpk= 725, nxpk= 20, iat=1981, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 124 ARG HN 123 LEU MDY 4.00 (# 726:20 Unique 2.06, 4.76 A)
&rst
ixpk= 726, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 116 VAL HN 123 LEU MDY 4.00 (# 727:20 Unique 2.37, 4.35 A)
&rst
ixpk= 727, nxpk= 20, iat=1830, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 117 PHE HD 123 LEU MDY 3.00 (# 729:20 Unique 2.79, 5.44 A)
&rst
ixpk= 729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1854,1862,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 0 AMB 20-2:730 123 LEU MDY 4.00 (# 730:20 Single Ambig)
&rst
ixpk= 730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1848,2000,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 115 TYR HA 123 LEU MDY 4.00 (# 731:20 Unique 2.93, 4.77 A)
&rst
ixpk= 731, nxpk= 20, iat=1811, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 0 AMB 20-2:732 102 LEU MDX 5.00 (# 732:20 Single Ambig)
&rst
ixpk= 732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1594,1520,1524,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 0 AMB 20-2:733 102 LEU MDX 3.00 (# 733:20 Single Ambig)
&rst
ixpk= 733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1737,1742,1673,1677,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 140 VAL HN 140 VAL MGX 3.00 (# 734:20 Unique 1.75, 3.73 A)
&rst
ixpk= 734, nxpk= 20, iat=2213, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2219,2220,2221,2223,2224,2225,
&end
#
# 141 ASN HN 140 VAL MGX 4.00 (# 735:20 Unique 1.84, 4.07 A)
&rst
ixpk= 735, nxpk= 20, iat=2229, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2219,2220,2221,2223,2224,2225,
&end
#
# 10 LEU HN 10 LEU MDY 4.00 (# 736:20 Unique 1.94, 3.82 A)
&rst
ixpk= 736, nxpk= 20, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 172, 173, 174, 176, 177, 178,
&end
#
# 126 PHE HD 136 LEU MDX 6.00 (# 739:20 Unique 5.25, 9.31 A)
&rst
ixpk= 739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2006,2014,
igr2=2142,2143,2144,2146,2147,2148,
&end
#
# 0 AMB 20-2:740 0 AMB 20-1:740 4.00 (# 740:20 Double Ambig)
&rst
ixpk= 740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=2052, 832,
igr2= 701, 702, 703, 705, 706, 707, 822, 823, 824, 826,
827, 828,
&end
#
# 0 AMB 20-2:741 51 VAL MGY 3.00 (# 741:20 Single Ambig)
&rst
ixpk= 741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 610, 816,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 37 TRP HD1 51 VAL MGY 5.00 (# 742:20 Unique 2.83, 5.01 A)
&rst
ixpk= 742, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 35 HIS HD2 51 VAL MGY 4.00 (# 743:20 Unique 3.24, 5.22 A)
&rst
ixpk= 743, nxpk= 20, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 35 HIS HD2 51 VAL MGY 3.00 (# 744:20 Unique 3.24, 5.22 A)
&rst
ixpk= 744, nxpk= 20, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 20-2:745 136 LEU MDX 5.00 (# 745:20 Single Ambig)
&rst
ixpk= 745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1994, 565,
igr2=2142,2143,2144,2146,2147,2148,
&end
#
# 82 LYS HN 17 LEU MDY 5.00 (# 746:20 Unique 2.69, 4.66 A)
&rst
ixpk= 746, nxpk= 20, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 283, 284, 285, 287, 288, 289,
&end
#
# 33 LEU HN 62 LEU MDX 4.00 (# 747:20 Unique 1.95, 4.20 A)
&rst
ixpk= 747, nxpk= 20, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 63 ASN HN 62 LEU MDX 3.00 (# 748:20 Unique 1.96, 4.03 A)
&rst
ixpk= 748, nxpk= 20, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 0 AMB 20-2:749 62 LEU MDX 5.00 (# 749:20 Single Ambig)
&rst
ixpk= 749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1039, 511,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 62 LEU HN 62 LEU MDX 5.00 (# 750:20 Unique 3.09, 5.04 A)
&rst
ixpk= 750, nxpk= 20, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 92 GLN HE2+ 64 VAL MGY 4.00 (# 751:20 Unique 1.86, 4.65 A)
&rst
ixpk= 751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1472,1473,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 92 GLN HE2- 64 VAL MGY 6.00 (# 752:20 Unique 1.86, 4.65 A)
&rst
ixpk= 752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1472,1473,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 0 AMB 20-2:753 64 VAL MGY 5.00 (# 753:20 Single Ambig)
&rst
ixpk= 753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 972, 973, 894,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 64 VAL HA 64 VAL MGY 3.00 (# 755:20 Unique 2.22, 3.13 A)
&rst
ixpk= 755, nxpk= 20, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 17 LEU HN 17 LEU MDY 5.00 (# 756:20 Unique 1.96, 4.21 A)
&rst
ixpk= 756, nxpk= 20, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 283, 284, 285, 287, 288, 289,
&end
#
# 0 AMB 20-2:757 0 AMB 20-1:757 4.00 (# 757:20 Double Ambig)
&rst
ixpk= 757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 240,1219,
igr2=1536,1537,1538,1540,1541,1542,1228,1229,1230,1232,
1233,1234,
&end
#
# 32 THR HA 62 LEU MDX 6.00 (# 758:20 Unique 2.09, 4.55 A)
&rst
ixpk= 758, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 65 VAL HN 64 VAL MGY 3.00 (# 764:20 Unique 2.63, 4.52 A)
&rst
ixpk= 764, nxpk= 20, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 35 HIS HD2 64 VAL MGY 5.00 (# 765:20 Unique 3.61, 6.23 A)
&rst
ixpk= 765, nxpk= 20, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 88 HIS HD2 84 THR MG2 3.00 (# 767:20 Unique 3.13, 4.71 A)
&rst
ixpk= 767, nxpk= 20, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1355,1356,1357,
&end
#
# 114 TYR HN 128 ALA MB 6.00 (# 768:20 Unique 3.91, 4.87 A)
&rst
ixpk= 768, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2039,2040,2041,
&end
#
# 128 ALA HN 128 ALA MB 4.00 (# 769:20 Unique 2.28, 3.24 A)
&rst
ixpk= 769, nxpk= 20, iat=2035, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2039,2040,2041,
&end
#
# 0 AMB 20-2:770 128 ALA MB 3.00 (# 770:20 Single Ambig)
&rst
ixpk= 770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2045,1748,
igr2=2039,2040,2041,
&end
#
# 126 PHE HE 128 ALA MB 3.00 (# 772:20 Unique 1.99, 4.66 A)
&rst
ixpk= 772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2008,2012,
igr2=2039,2040,2041,
&end
#
# 92 GLN HE2+ 66 ALA MB 5.00 (# 774:20 Unique 1.94, 3.54 A)
&rst
ixpk= 774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1472,1473,
igr2=1075,1076,1077,
&end
#
# 66 ALA HN 66 ALA MB 3.00 (# 775:20 Unique 2.22, 3.13 A)
&rst
ixpk= 775, nxpk= 20, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1075,1076,1077,
&end
#
# 67 VAL HN 66 ALA MB 4.00 (# 776:20 Unique 2.54, 3.42 A)
&rst
ixpk= 776, nxpk= 20, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1075,1076,1077,
&end
#
# 37 TRP HE1 66 ALA MB 3.00 (# 777:20 Unique 1.87, 3.37 A)
&rst
ixpk= 777, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1075,1076,1077,
&end
#
# 37 TRP HD1 66 ALA MB 4.00 (# 779:20 Unique 1.80, 2.47 A)
&rst
ixpk= 779, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1075,1076,1077,
&end
#
# 94 ILE HA 66 ALA MB 4.00 (# 781:20 Unique 2.66, 4.01 A)
&rst
ixpk= 781, nxpk= 20, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1075,1076,1077,
&end
#
# 33 LEU HN 32 THR MG2 4.00 (# 782:20 Unique 2.08, 3.26 A)
&rst
ixpk= 782, nxpk= 20, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 517, 518, 519,
&end
#
# 32 THR HA 32 THR MG2 4.00 (# 783:20 Unique 2.34, 3.21 A)
&rst
ixpk= 783, nxpk= 20, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 517, 518, 519,
&end
#
# 0 AMB 20-2:784 32 THR MG2 4.00 (# 784:20 Single Ambig)
&rst
ixpk= 784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 511,1039, 117,
igr2= 517, 518, 519,
&end
#
# 63 ASN HD2- 32 THR MG2 4.00 (# 785:20 Unique 2.85, 5.02 A)
&rst
ixpk= 785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1034,1035,
igr2= 517, 518, 519,
&end
#
# 32 THR HG1 32 THR MG2 5.00 (# 786:20 Unique 2.40, 3.25 A)
&rst
ixpk= 786, nxpk= 20, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 517, 518, 519,
&end
#
# 103 THR HN 103 THR MG2 4.00 (# 787:20 Unique 1.71, 2.98 A)
&rst
ixpk= 787, nxpk= 20, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1633,1634,1635,
&end
#
# 108 ASN HN 103 THR MG2 4.00 (# 788:20 Unique 2.30, 3.74 A)
&rst
ixpk= 788, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1633,1634,1635,
&end
#
# 143 VAL HN 143 VAL MGX 3.00 (# 789:20 Unique 2.01, 3.77 A)
&rst
ixpk= 789, nxpk= 20, iat=2267, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 144 LEU HN 143 VAL MGX 4.00 (# 790:20 Unique 1.94, 4.11 A)
&rst
ixpk= 790, nxpk= 20, iat=2283, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 64 VAL HN 65 VAL MGX 6.00 (# 791:20 Unique 3.41, 5.78 A)
&rst
ixpk= 791, nxpk= 20, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 4 ARG HN 3 LEU MDY 4.00 (# 792:20 Unique 3.23, 5.36 A)
&rst
ixpk= 792, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 3 LEU HN 3 LEU MDY 4.00 (# 793:20 Unique 2.09, 3.97 A)
&rst
ixpk= 793, nxpk= 20, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 120 THR HN 120 THR MG2 3.00 (# 794:20 Unique 2.28, 3.51 A)
&rst
ixpk= 794, nxpk= 20, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1906,1907,1908,
&end
#
# 104 ASP HN 103 THR MG2 5.00 (# 795:20 Unique 4.02, 4.82 A)
&rst
ixpk= 795, nxpk= 20, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1633,1634,1635,
&end
#
# 108 ASN HD2+ 103 THR MG2 6.00 (# 796:20 Unique 2.96, 5.93 A)
&rst
ixpk= 796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1707,1708,
igr2=1633,1634,1635,
&end
#
# 33 LEU HN 64 VAL MGX 6.00 (# 797:20 Unique 4.35, 5.85 A)
&rst
ixpk= 797, nxpk= 20, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 65 VAL HN 64 VAL MGX 4.00 (# 798:20 Unique 2.63, 4.52 A)
&rst
ixpk= 798, nxpk= 20, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 64 VAL HN 64 VAL MGX 4.00 (# 799:20 Unique 2.05, 3.91 A)
&rst
ixpk= 799, nxpk= 20, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 64 VAL HA 64 VAL MGX 4.00 (# 800:20 Unique 2.22, 3.13 A)
&rst
ixpk= 800, nxpk= 20, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 0 AMB 20-2:801 65 VAL MGX 3.00 (# 801:20 Single Ambig)
&rst
ixpk= 801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1071,1055,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 125 HIS HN 3 LEU MDY 6.00 (# 802:20 Unique 2.91, 5.29 A)
&rst
ixpk= 802, nxpk= 20, iat=1981, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 126 PHE HN 3 LEU MDY 4.00 (# 803:20 Unique 2.30, 5.17 A)
&rst
ixpk= 803, nxpk= 20, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 119 LYS HN 143 VAL MGY 6.00 (# 804:20 Unique 4.73, 6.65 A)
&rst
ixpk= 804, nxpk= 20, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 0 AMB 20-2:805 143 VAL MGY 4.00 (# 805:20 Single Ambig)
&rst
ixpk= 805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 511,1866,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 26 LEU HN 26 LEU MDX 4.00 (# 807:20 Unique 2.73, 4.44 A)
&rst
ixpk= 807, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 424, 425, 426, 428, 429, 430,
&end
#
# 0 AMB 20-2:808 26 LEU MDX 4.00 (# 808:20 Single Ambig)
&rst
ixpk= 808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1034,1035, 434,
igr2= 424, 425, 426, 428, 429, 430,
&end
#
# 68 HIS HN 67 VAL MGY 4.00 (# 809:20 Unique 1.91, 4.31 A)
&rst
ixpk= 809, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 0 AMB 20-2:810 147 THR MG2 4.00 (# 810:20 Single Ambig)
&rst
ixpk= 810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2327,2341,
igr2=2333,2334,2335,
&end
#
# 23 ARG HN 22 THR MG2 4.00 (# 811:20 Unique 3.09, 4.27 A)
&rst
ixpk= 811, nxpk= 20, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 351, 352, 353,
&end
#
# 22 THR HN 22 THR MG2 3.00 (# 812:20 Unique 3.19, 4.01 A)
&rst
ixpk= 812, nxpk= 20, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 351, 352, 353,
&end
#
# 92 GLN HN 91 THR MG2 5.00 (# 813:20 Unique 3.85, 4.65 A)
&rst
ixpk= 813, nxpk= 20, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1452,1453,1454,
&end
#
# 89 ASP HN 91 THR MG2 6.00 (# 814:20 Unique 5.32, 6.38 A)
&rst
ixpk= 814, nxpk= 20, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1452,1453,1454,
&end
#
# 0 AMB 20-2:815 91 THR MG2 4.00 (# 815:20 Single Ambig)
&rst
ixpk= 815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 302, 303, 846,
igr2=1452,1453,1454,
&end
#
# 91 THR HN 91 THR MG2 3.00 (# 816:20 Unique 2.57, 3.76 A)
&rst
ixpk= 816, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1452,1453,1454,
&end
#
# 116 VAL HN 116 VAL MGX 3.00 (# 817:20 Unique 2.22, 4.04 A)
&rst
ixpk= 817, nxpk= 20, iat=1830, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1836,1837,1838,1840,1841,1842,
&end
#
# 116 VAL HA 0 AMB 20-1:818 3.00 (# 818:20 Single Ambig)
&rst
ixpk= 818, nxpk= 20, iat=1832, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
1841,1842,
&end
#
# 125 HIS HN 0 AMB 20-1:819 6.00 (# 819:20 Single Ambig)
&rst
ixpk= 819, nxpk= 20, iat=1981, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
1841,1842,
&end
#
# 22 THR HN 21 VAL MGX 4.00 (# 820:20 Unique 1.92, 3.78 A)
&rst
ixpk= 820, nxpk= 20, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 335, 336, 337, 339, 340, 341,
&end
#
# 21 VAL HN 21 VAL MGX 6.00 (# 821:20 Unique 2.03, 3.74 A)
&rst
ixpk= 821, nxpk= 20, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 335, 336, 337, 339, 340, 341,
&end
#
# 63 ASN HD2+ 26 LEU MDX 4.00 (# 822:20 Unique 1.93, 5.96 A)
&rst
ixpk= 822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1034,1035,
igr2= 424, 425, 426, 428, 429, 430,
&end
#
# 125 HIS HN 116 VAL MGX 5.00 (# 824:20 Unique 1.90, 4.85 A)
&rst
ixpk= 824, nxpk= 20, iat=1981, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1836,1837,1838,1840,1841,1842,
&end
#
# 126 PHE HN 0 AMB 20-1:825 6.00 (# 825:20 Single Ambig)
&rst
ixpk= 825, nxpk= 20, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
1841,1842,
&end
#
# 117 PHE HN 116 VAL MGY 4.00 (# 826:20 Unique 2.34, 4.31 A)
&rst
ixpk= 826, nxpk= 20, iat=1846, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1836,1837,1838,1840,1841,1842,
&end
#
# 116 VAL HA 116 VAL MGY 3.00 (# 827:20 Unique 2.02, 3.18 A)
&rst
ixpk= 827, nxpk= 20, iat=1832, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1836,1837,1838,1840,1841,1842,
&end
#
# 68 HIS HN 96 VAL MGY 4.00 (# 828:20 Unique 2.12, 4.42 A)
&rst
ixpk= 828, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1536,1537,1538,1540,1541,1542,
&end
#
# 96 VAL HN 96 VAL MGY 4.00 (# 829:20 Unique 1.92, 3.77 A)
&rst
ixpk= 829, nxpk= 20, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1536,1537,1538,1540,1541,1542,
&end
#
# 140 VAL HN 140 VAL MGY 4.00 (# 830:20 Unique 1.75, 3.73 A)
&rst
ixpk= 830, nxpk= 20, iat=2213, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2219,2220,2221,2223,2224,2225,
&end
#
# 141 ASN HN 140 VAL MGY 4.00 (# 831:20 Unique 1.84, 4.07 A)
&rst
ixpk= 831, nxpk= 20, iat=2229, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2219,2220,2221,2223,2224,2225,
&end
#
# 22 THR HN 21 VAL MGY 5.00 (# 832:20 Unique 1.92, 3.78 A)
&rst
ixpk= 832, nxpk= 20, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 335, 336, 337, 339, 340, 341,
&end
#
# 11 THR HN 11 THR MG2 4.00 (# 834:20 Unique 1.93, 3.03 A)
&rst
ixpk= 834, nxpk= 20, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 188, 189, 190,
&end
#
# 11 THR HA 11 THR MG2 4.00 (# 835:20 Unique 3.56, 3.94 A)
&rst
ixpk= 835, nxpk= 20, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 188, 189, 190,
&end
#
# 95 PHE HD 65 VAL MGY 3.00 (# 836:20 Unique 2.95, 7.28 A)
&rst
ixpk= 836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1518,1526,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 21 VAL HN 21 VAL MGY 4.00 (# 838:20 Unique 2.03, 3.74 A)
&rst
ixpk= 838, nxpk= 20, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 335, 336, 337, 339, 340, 341,
&end
#
# 0 AMB 20-2:839 65 VAL MGY 3.00 (# 839:20 Single Ambig)
&rst
ixpk= 839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1071,1055,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 0 AMB 20-2:841 0 AMB 20-1:841 5.00 (# 841:20 Double Ambig)
&rst
ixpk= 841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 743,1641,
igr2= 762, 763, 764,1602,1603,1604,
&end
#
# 47 ALA HN 47 ALA MB 3.00 (# 842:20 Unique 2.16, 3.04 A)
&rst
ixpk= 842, nxpk= 20, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 762, 763, 764,
&end
#
# 39 ILE HN 39 ILE QG2 4.00 (# 843:20 Unique 1.94, 2.70 A)
&rst
ixpk= 843, nxpk= 20, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 641, 642, 643,
&end
#
# 51 VAL HN 51 VAL MGX 4.00 (# 847:20 Unique 1.90, 3.78 A)
&rst
ixpk= 847, nxpk= 20, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 55 ARG HE 51 VAL MGX 6.00 (# 848:20 Unique 2.37, 8.61 A)
&rst
ixpk= 848, nxpk= 20, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 20-2:849 101 ALA MB 3.00 (# 849:20 Single Ambig)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1617,1618,1619,1621,1622,1623,1608,
igr2=1602,1603,1604,
&end
#
# 101 ALA HN 101 ALA MB 3.00 (# 850:20 Unique 1.97, 2.81 A)
&rst
ixpk= 850, nxpk= 20, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1602,1603,1604,
&end
#
# 52 ASN HN 51 VAL MGX 5.00 (# 851:20 Unique 2.45, 4.81 A)
&rst
ixpk= 851, nxpk= 20, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 92 GLN HE2- 51 VAL MGX 5.00 (# 852:20 Unique 1.91, 4.08 A)
&rst
ixpk= 852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1472,1473,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 67 VAL HN 67 VAL MGX 5.00 (# 853:20 Unique 1.93, 4.11 A)
&rst
ixpk= 853, nxpk= 20, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 144 LEU HN 145 ALA MB 5.00 (# 855:20 Unique 4.10, 5.16 A)
&rst
ixpk= 855, nxpk= 20, iat=2283, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2306,2307,2308,
&end
#
# 145 ALA HN 145 ALA MB 3.00 (# 856:20 Unique 2.08, 2.87 A)
&rst
ixpk= 856, nxpk= 20, iat=2302, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2306,2307,2308,
&end
#
# 95 PHE HN 94 ILE QG2 4.00 (# 857:20 Unique 1.90, 3.42 A)
&rst
ixpk= 857, nxpk= 20, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1497,1498,1499,
&end
#
# 0 AMB 20-2:858 94 ILE QG2 4.00 (# 858:20 Single Ambig)
&rst
ixpk= 858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1097,1071,
igr2=1497,1498,1499,
&end
#
# 94 ILE HA 94 ILE QG2 4.00 (# 859:20 Unique 2.12, 2.98 A)
&rst
ixpk= 859, nxpk= 20, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1497,1498,1499,
&end
#
# 37 TRP HE1 94 ILE QG2 3.00 (# 860:20 Unique 1.93, 5.77 A)
&rst
ixpk= 860, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1497,1498,1499,
&end
#
# 111 VAL HN 111 VAL MGY 3.00 (# 863:20 Unique 1.85, 3.95 A)
&rst
ixpk= 863, nxpk= 20, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1754,1755,1756,1758,1759,1760,
&end
#
# 106 PHE HN 105 ALA MB 4.00 (# 864:20 Unique 2.21, 3.22 A)
&rst
ixpk= 864, nxpk= 20, iat=1663, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1657,1658,1659,
&end
#
# 105 ALA HN 105 ALA MB 3.00 (# 865:20 Unique 2.17, 2.99 A)
&rst
ixpk= 865, nxpk= 20, iat=1653, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1657,1658,1659,
&end
#
# 0 AMB 20-2:866 133 MET ME 4.00 (# 866:20 Single Ambig)
&rst
ixpk= 866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2133, 816,
igr2=2088,2089,2090,
&end
#
# 85 ALA HN 85 ALA MB 3.00 (# 870:20 Unique 1.98, 2.81 A)
&rst
ixpk= 870, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1367,1368,1369,
&end
#
# 54 PHE HE 133 MET ME 5.00 (# 871:20 Unique 1.89, 4.55 A)
&rst
ixpk= 871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 871, 875,
igr2=2088,2089,2090,
&end
#
# 0 AMB 20-2:872 1 MET ME 4.00 (# 872:20 Single Ambig)
&rst
ixpk= 872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1673,1677,1737,1742,
igr2= 15, 16, 17,
&end
#
# 86 ALA HN 86 ALA MB 3.00 (# 873:20 Unique 2.02, 2.82 A)
&rst
ixpk= 873, nxpk= 20, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1377,1378,1379,
&end
#
# 89 ASP HN 86 ALA MB 5.00 (# 874:20 Unique 5.80, 6.60 A)
&rst
ixpk= 874, nxpk= 20, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1377,1378,1379,
&end
#
# 5 GLN HE2- 1 MET ME 5.00 (# 875:20 Unique 1.83, 3.64 A)
&rst
ixpk= 875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 98, 99,
igr2= 15, 16, 17,
&end
#
# 5 GLN HE2+ 1 MET ME 3.00 (# 876:20 Unique 1.83, 3.64 A)
&rst
ixpk= 876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 98, 99,
igr2= 15, 16, 17,
&end
#
# 35 HIS HN 34 ILE QG2 4.00 (# 877:20 Unique 2.22, 3.67 A)
&rst
ixpk= 877, nxpk= 20, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 550, 551, 552,
&end
#
# 34 ILE HA 34 ILE QG2 4.00 (# 879:20 Unique 2.10, 2.94 A)
&rst
ixpk= 879, nxpk= 20, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 550, 551, 552,
&end
#
# 36 PHE HD 34 ILE QG2 5.00 (# 880:20 Unique 3.21, 6.56 A)
&rst
ixpk= 880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 588, 596,
igr2= 550, 551, 552,
&end
#
# 92 GLN HN 90 ILE QG2 5.00 (# 881:20 Unique 3.63, 5.73 A)
&rst
ixpk= 881, nxpk= 20, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1433,1434,1435,
&end
#
# 90 ILE HN 90 ILE QG2 5.00 (# 882:20 Unique 2.14, 3.45 A)
&rst
ixpk= 882, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1433,1434,1435,
&end
#
# 92 GLN HE2- 90 ILE QG2 6.00 (# 883:20 Unique 1.99, 6.06 A)
&rst
ixpk= 883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1472,1473,
igr2=1433,1434,1435,
&end
#
# 82 LYS HN 81 ILE QG2 4.00 (# 885:20 Unique 2.97, 4.03 A)
&rst
ixpk= 885, nxpk= 20, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1299,1300,1301,
&end
#
# 28 GLY HN 27 ILE QG2 4.00 (# 887:20 Unique 1.85, 2.66 A)
&rst
ixpk= 887, nxpk= 20, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 440, 441, 442,
&end
#
# 0 AMB 20-2:888 27 ILE QG2 4.00 (# 888:20 Single Ambig)
&rst
ixpk= 888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 434,1034,1035,
igr2= 440, 441, 442,
&end
#
# 81 ILE HN 81 ILE QG2 5.00 (# 889:20 Unique 4.21, 4.46 A)
&rst
ixpk= 889, nxpk= 20, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1299,1300,1301,
&end
#
# 18 ASN HD2+ 94 ILE QD1 4.00 (# 893:20 Unique 1.92, 3.97 A)
&rst
ixpk= 893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 302, 303,
igr2=1504,1505,1506,
&end
#
# 37 TRP HZ2 94 ILE QD1 4.00 (# 894:20 Unique 2.00, 7.90 A)
&rst
ixpk= 894, nxpk= 20, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1504,1505,1506,
&end
#
# 18 ASN HD2- 94 ILE QD1 4.00 (# 895:20 Unique 1.92, 3.97 A)
&rst
ixpk= 895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 302, 303,
igr2=1504,1505,1506,
&end
#
# 39 ILE HN 39 ILE QD1 4.00 (# 896:20 Unique 4.11, 4.65 A)
&rst
ixpk= 896, nxpk= 20, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 648, 649, 650,
&end
#
# 7 MET HN 7 MET ME 4.00 (# 897:20 Unique 1.81, 3.27 A)
&rst
ixpk= 897, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 128, 129, 130,
&end
#
# 117 PHE HE 7 MET ME 4.00 (# 898:20 Unique 2.16, 4.88 A)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1856,1860,
igr2= 128, 129, 130,
&end
#
# 117 PHE HD 7 MET ME 4.00 (# 899:20 Unique 1.98, 3.96 A)
&rst
ixpk= 899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1854,1862,
igr2= 128, 129, 130,
&end
#
# 32 THR HG1 7 MET ME 5.00 (# 900:20 Unique 3.28, 4.91 A)
&rst
ixpk= 900, nxpk= 20, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 128, 129, 130,
&end
#
# 81 ILE HN 39 ILE QD1 6.00 (# 901:20 Unique 3.30, 4.50 A)
&rst
ixpk= 901, nxpk= 20, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 648, 649, 650,
&end
#
# 0 AMB 20-2:902 39 ILE QD1 5.00 (# 902:20 Single Ambig)
&rst
ixpk= 902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1207,1238, 654,
igr2= 648, 649, 650,
&end
#
# 81 ILE HN 81 ILE QD1 4.00 (# 903:20 Unique 2.22, 3.81 A)
&rst
ixpk= 903, nxpk= 20, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1306,1307,1308,
&end
#
# 28 GLY HN 27 ILE QD1 6.00 (# 906:20 Unique 3.83, 5.62 A)
&rst
ixpk= 906, nxpk= 20, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 447, 448, 449,
&end
#
# 121 GLY HN 27 ILE QD1 5.00 (# 907:20 Unique 2.74, 4.16 A)
&rst
ixpk= 907, nxpk= 20, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 447, 448, 449,
&end
#
# 0 AMB 20-2:908 27 ILE QD1 4.00 (# 908:20 Single Ambig)
&rst
ixpk= 908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 434,1856,1860,
igr2= 447, 448, 449,
&end
#
# 37 TRP HZ2 90 ILE QD1 6.00 (# 909:20 Unique 1.95, 8.07 A)
&rst
ixpk= 909, nxpk= 20, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1440,1441,1442,
&end
#
# 117 PHE HE 34 ILE QD1 4.00 (# 910:20 Unique 2.02, 4.19 A)
&rst
ixpk= 910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1856,1860,
igr2= 557, 558, 559,
&end
#
# 117 PHE HD 34 ILE QD1 4.00 (# 911:20 Unique 2.13, 4.86 A)
&rst
ixpk= 911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1854,1862,
igr2= 557, 558, 559,
&end
#
# 0 AMB 20-2:914 34 ILE QD1 6.00 (# 914:20 Single Ambig)
&rst
ixpk= 914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 527, 546,
igr2= 557, 558, 559,
&end
#
# 7 MET ME 32 THR HB 5.00 (# 958:20 Unique 2.00, 3.58 A)
&rst
ixpk= 958, nxpk= 20, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 128, 129, 130,
&end
#
# 32 THR MG2 32 THR HB 4.00 (# 959:20 Unique 2.29, 2.69 A)
&rst
ixpk= 959, nxpk= 20, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 517, 518, 519,
&end
#
# 22 THR MG2 22 THR HB 3.00 (# 966:20 Unique 2.28, 2.69 A)
&rst
ixpk= 966, nxpk= 20, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 351, 352, 353,
&end
#
# 0 AMB 20-2:968 22 THR HB 5.00 (# 968:20 Single Ambig)
&rst
ixpk= 968, nxpk= 20, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 363, 364, 422,
&end
#
# 0 AMB 20-2:973 22 THR HB 6.00 (# 973:20 Single Ambig)
&rst
ixpk= 973, nxpk= 20, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 335, 336, 337, 339, 340, 341, 447, 448, 449,
&end
#
# 11 THR MG2 11 THR HB 3.00 (# 983:20 Unique 2.28, 2.69 A)
&rst
ixpk= 983, nxpk= 20, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 188, 189, 190,
&end
#
# 147 THR MG2 147 THR HB 3.00 (# 985:20 Unique 2.28, 2.69 A)
&rst
ixpk= 985, nxpk= 20, iat= -1,2331, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2333,2334,2335,
&end
#
# 120 THR MG2 120 THR HB 3.00 (# 988:20 Unique 2.29, 2.69 A)
&rst
ixpk= 988, nxpk= 20, iat= -1,1904, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1906,1907,1908,
&end
#
# 120 THR HA 120 THR HB 3.00 (# 990:20 Unique 2.51, 2.72 A)
&rst
ixpk= 990, nxpk= 20, iat=1902,1904, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 91 THR HA 91 THR HB 3.00 (# 993:20 Unique 2.43, 2.54 A)
&rst
ixpk= 993, nxpk= 20, iat=1448,1450, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 91 THR MG2 91 THR HB 3.00 (# 994:20 Unique 2.28, 2.69 A)
&rst
ixpk= 994, nxpk= 20, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1452,1453,1454,
&end
#
# 103 THR HB 103 THR HA 4.00 (# 995:20 Unique 2.44, 2.59 A)
&rst
ixpk= 995, nxpk= 20, iat=1631,1629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 THR MG2 103 THR HB 4.00 (# 996:20 Unique 2.28, 2.69 A)
&rst
ixpk= 996, nxpk= 20, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1633,1634,1635,
&end
#
# 103 THR MG2 103 THR HA 4.00 (# 997:20 Unique 2.27, 3.16 A)
&rst
ixpk= 997, nxpk= 20, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1633,1634,1635,
&end
#
# 84 THR MG2 84 THR HB 3.00 (# 998:20 Unique 2.34, 2.69 A)
&rst
ixpk= 998, nxpk= 20, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1355,1356,1357,
&end
#
# 84 THR HB 84 THR HA 4.00 (# 999:20 Unique 2.96, 3.01 A)
&rst
ixpk= 999, nxpk= 20, iat=1353,1351, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 87 GLU HB+ 84 THR HA 4.00 (# 1000:20 Unique 2.10, 3.43 A)
&rst
ixpk= 1000, nxpk= 20, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1387,1388,
&end
#
# 87 GLU HB- 84 THR HA 4.00 (# 1001:20 Unique 2.10, 3.43 A)
&rst
ixpk= 1001, nxpk= 20, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1387,1388,
&end
#
# 84 THR MG2 84 THR HA 3.00 (# 1002:20 Unique 2.58, 3.40 A)
&rst
ixpk= 1002, nxpk= 20, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1355,1356,1357,
&end
#
# 143 VAL HB 140 VAL HA 4.00 (# 1004:20 Unique 3.11, 3.81 A)
&rst
ixpk= 1004, nxpk= 20, iat=2271,2215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1005 140 VAL HA 3.00 (# 1005:20 Single Ambig)
&rst
ixpk= 1005, nxpk= 20, iat= -1,2215, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279, 534, 535, 536, 538, 539, 540,
&end
#
# 116 VAL MGY 140 VAL HA 3.00 (# 1006:20 Unique 2.49, 4.63 A)
&rst
ixpk= 1006, nxpk= 20, iat= -1,2215, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1836,1837,1838,1840,1841,1842,
&end
#
# 140 VAL MGX 140 VAL HA 3.00 (# 1007:20 Unique 2.18, 3.18 A)
&rst
ixpk= 1007, nxpk= 20, iat= -1,2215, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2219,2220,2221,2223,2224,2225,
&end
#
# 140 VAL MGY 140 VAL HA 3.00 (# 1008:20 Unique 2.18, 3.18 A)
&rst
ixpk= 1008, nxpk= 20, iat= -1,2215, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2219,2220,2221,2223,2224,2225,
&end
#
# 140 VAL HB 140 VAL HA 4.00 (# 1009:20 Unique 2.32, 2.94 A)
&rst
ixpk= 1009, nxpk= 20, iat=2217,2215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 51 VAL HB 51 VAL HA 4.00 (# 1011:20 Unique 2.73, 2.98 A)
&rst
ixpk= 1011, nxpk= 20, iat= 820, 818, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 51 VAL MGY 51 VAL HA 3.00 (# 1012:20 Unique 1.98, 3.15 A)
&rst
ixpk= 1012, nxpk= 20, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 51 VAL MGX 51 VAL HA 3.00 (# 1013:20 Unique 1.98, 3.15 A)
&rst
ixpk= 1013, nxpk= 20, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 52 ASN HB+ 49 PRO HA 3.00 (# 1014:20 Unique 2.78, 3.91 A)
&rst
ixpk= 1014, nxpk= 20, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 836, 837,
&end
#
# 49 PRO HB- 49 PRO HA 3.00 (# 1015:20 Unique 2.30, 2.52 A)
&rst
ixpk= 1015, nxpk= 20, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 792, 793,
&end
#
# 0 AMB 20-2:1016 49 PRO HA 4.00 (# 1016:20 Single Ambig)
&rst
ixpk= 1016, nxpk= 20, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 789, 790, 806, 807,
&end
#
# 0 AMB 20-2:1017 49 PRO HA 4.00 (# 1017:20 Single Ambig)
&rst
ixpk= 1017, nxpk= 20, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 789, 790, 820,
&end
#
# 49 PRO HB+ 49 PRO HA 4.00 (# 1018:20 Unique 2.30, 2.52 A)
&rst
ixpk= 1018, nxpk= 20, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 792, 793,
&end
#
# 0 AMB 20-2:1019 38 SER HB- 5.00 (# 1019:20 Single Ambig)
&rst
ixpk= 1019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 626, 658, 659,
igr2= 628, 629,
&end
#
# 0 AMB 20-2:1021 0 AMB 20-1:1021 5.00 (# 1021:20 Double Ambig)
&rst
ixpk= 1021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 626, 658, 659,
igr2= 628, 629, 628, 629,
&end
#
# 0 AMB 20-2:1023 0 AMB 20-1:1023 4.00 (# 1023:20 Double Ambig)
&rst
ixpk= 1023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 648, 649, 650,1754,1755,1756,1758,1759,1760,
igr2=1295, 628, 629,
&end
#
# 39 ILE HB 39 ILE HA 4.00 (# 1025:20 Unique 2.24, 2.30 A)
&rst
ixpk= 1025, nxpk= 20, iat= 639, 637, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1026 0 AMB 20-1:1026 4.00 (# 1026:20 Double Ambig)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 645, 646,1355,1356,1357, 728, 729,
igr2= 637,1173,1174,
&end
#
# 39 ILE QG2 39 ILE HA 4.00 (# 1027:20 Unique 2.45, 3.28 A)
&rst
ixpk= 1027, nxpk= 20, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 641, 642, 643,
&end
#
# 0 AMB 20-2:1028 0 AMB 20-1:1028 4.00 (# 1028:20 Double Ambig)
&rst
ixpk= 1028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1278,1279, 645, 646,
igr2=1295, 628, 629,
&end
#
# 81 ILE HG1+ 81 ILE HA 5.00 (# 1029:20 Unique 2.23, 2.74 A)
&rst
ixpk= 1029, nxpk= 20, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1303,1304,
&end
#
# 39 ILE QG2 81 ILE HA 4.00 (# 1030:20 Unique 2.16, 3.31 A)
&rst
ixpk= 1030, nxpk= 20, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 641, 642, 643,
&end
#
# 81 ILE QG2 81 ILE HA 4.00 (# 1031:20 Unique 2.32, 3.17 A)
&rst
ixpk= 1031, nxpk= 20, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1299,1300,1301,
&end
#
# 81 ILE HG1- 81 ILE HA 4.00 (# 1032:20 Unique 2.23, 2.74 A)
&rst
ixpk= 1032, nxpk= 20, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1303,1304,
&end
#
# 72 SER HA 72 SER HB- 4.00 (# 1033:20 Unique 2.42, 2.85 A)
&rst
ixpk= 1033, nxpk= 20, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1173,1174,
&end
#
# 72 SER HA 72 SER HB+ 4.00 (# 1035:20 Unique 2.42, 2.85 A)
&rst
ixpk= 1035, nxpk= 20, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1173,1174,
&end
#
# 146 GLU HG+ 143 VAL HA 5.00 (# 1037:20 Unique 1.98, 2.94 A)
&rst
ixpk= 1037, nxpk= 20, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2319,2320,
&end
#
# 146 GLU HG- 143 VAL HA 4.00 (# 1038:20 Unique 1.98, 2.94 A)
&rst
ixpk= 1038, nxpk= 20, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2319,2320,
&end
#
# 0 AMB 20-2:1039 143 VAL HA 3.00 (# 1039:20 Single Ambig)
&rst
ixpk= 1039, nxpk= 20, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2316,2317,2271,
&end
#
# 0 AMB 20-2:1040 143 VAL HA 3.00 (# 1040:20 Single Ambig)
&rst
ixpk= 1040, nxpk= 20, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
&end
#
# 78 PRO HB- 78 PRO HA 3.00 (# 1041:20 Unique 2.30, 2.52 A)
&rst
ixpk= 1041, nxpk= 20, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1257,1258,
&end
#
# 78 PRO HB+ 78 PRO HA 3.00 (# 1042:20 Unique 2.30, 2.52 A)
&rst
ixpk= 1042, nxpk= 20, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1257,1258,
&end
#
# 81 ILE HB 78 PRO HA 3.00 (# 1043:20 Unique 2.24, 2.50 A)
&rst
ixpk= 1043, nxpk= 20, iat=1297,1260, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 81 ILE QG2 78 PRO HA 5.00 (# 1044:20 Unique 3.92, 4.83 A)
&rst
ixpk= 1044, nxpk= 20, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1299,1300,1301,
&end
#
# 81 ILE QD1 78 PRO HA 3.00 (# 1045:20 Unique 1.91, 3.38 A)
&rst
ixpk= 1045, nxpk= 20, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1306,1307,1308,
&end
#
# 96 VAL MGX 96 VAL HA 4.00 (# 1046:20 Unique 2.09, 3.27 A)
&rst
ixpk= 1046, nxpk= 20, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1536,1537,1538,1540,1541,1542,
&end
#
# 96 VAL MGY 96 VAL HA 4.00 (# 1047:20 Unique 2.09, 3.27 A)
&rst
ixpk= 1047, nxpk= 20, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1536,1537,1538,1540,1541,1542,
&end
#
# 131 SER HA 131 SER HB- 3.00 (# 1050:20 Unique 2.31, 2.76 A)
&rst
ixpk= 1050, nxpk= 20, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2063,2064,
&end
#
# 131 SER HA 131 SER HB+ 3.00 (# 1056:20 Unique 2.31, 2.76 A)
&rst
ixpk= 1056, nxpk= 20, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2063,2064,
&end
#
# 75 ASP HB+ 70 PRO HA 4.00 (# 1061:20 Unique 1.92, 2.66 A)
&rst
ixpk= 1061, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1211,1212,
&end
#
# 70 PRO HB- 70 PRO HA 4.00 (# 1062:20 Unique 2.30, 2.52 A)
&rst
ixpk= 1062, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1138,1139,
&end
#
# 75 ASP HB- 70 PRO HA 5.00 (# 1063:20 Unique 1.92, 2.66 A)
&rst
ixpk= 1063, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1211,1212,
&end
#
# 0 AMB 20-2:1064 31 PRO HA 6.00 (# 1064:20 Single Ambig)
&rst
ixpk= 1064, nxpk= 20, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1015,1016,1017,1019,1020,1021,2292,2293,2294,2296,
2297,2298,
&end
#
# 119 LYS HA 31 PRO HA 4.00 (# 1065:20 Unique 1.95, 2.41 A)
&rst
ixpk= 1065, nxpk= 20, iat=1880, 507, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 PRO HB- 31 PRO HA 3.00 (# 1066:20 Unique 2.30, 2.52 A)
&rst
ixpk= 1066, nxpk= 20, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 504, 505,
&end
#
# 31 PRO HB+ 31 PRO HA 3.00 (# 1067:20 Unique 2.30, 2.52 A)
&rst
ixpk= 1067, nxpk= 20, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 504, 505,
&end
#
# 8 PRO HB- 8 PRO HA 3.00 (# 1068:20 Unique 2.30, 2.52 A)
&rst
ixpk= 1068, nxpk= 20, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 141, 142,
&end
#
# 8 PRO HB+ 8 PRO HA 3.00 (# 1069:20 Unique 2.30, 2.52 A)
&rst
ixpk= 1069, nxpk= 20, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 141, 142,
&end
#
# 8 PRO HG- 8 PRO HA 4.00 (# 1070:20 Unique 3.88, 3.93 A)
&rst
ixpk= 1070, nxpk= 20, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 138, 139,
&end
#
# 40 SER HA 40 SER HB+ 4.00 (# 1074:20 Unique 2.26, 2.68 A)
&rst
ixpk= 1074, nxpk= 20, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 658, 659,
&end
#
# 147 THR MG2 147 THR HA 3.00 (# 1077:20 Unique 2.75, 3.74 A)
&rst
ixpk= 1077, nxpk= 20, iat= -1,2329, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2333,2334,2335,
&end
#
# 91 THR HB 91 THR HA 3.00 (# 1082:20 Unique 2.43, 2.54 A)
&rst
ixpk= 1082, nxpk= 20, iat=1450,1448, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 91 THR MG2 91 THR HA 3.00 (# 1083:20 Unique 2.29, 3.16 A)
&rst
ixpk= 1083, nxpk= 20, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1452,1453,1454,
&end
#
# 27 ILE QG2 120 THR HA 4.00 (# 1086:20 Unique 3.21, 3.81 A)
&rst
ixpk= 1086, nxpk= 20, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 440, 441, 442,
&end
#
# 120 THR HB 120 THR HA 3.00 (# 1087:20 Unique 2.51, 2.72 A)
&rst
ixpk= 1087, nxpk= 20, iat=1904,1902, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 120 THR MG2 120 THR HA 4.00 (# 1088:20 Unique 3.40, 3.83 A)
&rst
ixpk= 1088, nxpk= 20, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1906,1907,1908,
&end
#
# 65 VAL HB 65 VAL HA 3.00 (# 1089:20 Unique 2.25, 2.31 A)
&rst
ixpk= 1089, nxpk= 20, iat=1059,1057, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1090 65 VAL HA 3.00 (# 1090:20 Single Ambig)
&rst
ixpk= 1090, nxpk= 20, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1061,1062,1063,1065,1066,1067,1061,1062,1063,1065,
1066,1067,
&end
#
# 0 AMB 20-2:1095 98 SER HA 5.00 (# 1095:20 Single Ambig)
&rst
ixpk= 1095, nxpk= 20, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1550,1551,1534,
&end
#
# 90 ILE QG2 90 ILE HA 4.00 (# 1099:20 Unique 1.98, 2.92 A)
&rst
ixpk= 1099, nxpk= 20, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1433,1434,1435,
&end
#
# 42 HIS HB- 42 HIS HA 3.00 (# 1100:20 Unique 2.34, 2.74 A)
&rst
ixpk= 1100, nxpk= 20, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 679, 680,
&end
#
# 42 HIS HB+ 42 HIS HA 4.00 (# 1101:20 Unique 2.34, 2.74 A)
&rst
ixpk= 1101, nxpk= 20, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 679, 680,
&end
#
# 45 LYS HD+ 42 HIS HA 3.00 (# 1103:20 Unique 1.97, 4.08 A)
&rst
ixpk= 1103, nxpk= 20, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 731, 732,
&end
#
# 67 VAL MGX 67 VAL HA 4.00 (# 1104:20 Unique 2.16, 3.20 A)
&rst
ixpk= 1104, nxpk= 20, iat= -1,1083, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1087,1088,1089,1091,1092,1093,
&end
#
# 67 VAL MGY 67 VAL HA 4.00 (# 1105:20 Unique 2.16, 3.20 A)
&rst
ixpk= 1105, nxpk= 20, iat= -1,1083, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1087,1088,1089,1091,1092,1093,
&end
#
# 0 AMB 20-2:1106 27 ILE HA 3.00 (# 1106:20 Single Ambig)
&rst
ixpk= 1106, nxpk= 20, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 438, 419, 420,
&end
#
# 0 AMB 20-2:1107 27 ILE HA 5.00 (# 1107:20 Single Ambig)
&rst
ixpk= 1107, nxpk= 20, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 455, 456,1916,1917,
&end
#
# 27 ILE HG1- 27 ILE HA 5.00 (# 1108:20 Unique 2.46, 2.90 A)
&rst
ixpk= 1108, nxpk= 20, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 444, 445,
&end
#
# 27 ILE HG1+ 27 ILE HA 4.00 (# 1109:20 Unique 2.46, 2.90 A)
&rst
ixpk= 1109, nxpk= 20, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 444, 445,
&end
#
# 27 ILE QG2 27 ILE HA 3.00 (# 1110:20 Unique 2.17, 3.04 A)
&rst
ixpk= 1110, nxpk= 20, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 440, 441, 442,
&end
#
# 82 LYS HB- 82 LYS HA 3.00 (# 1112:20 Unique 2.26, 2.70 A)
&rst
ixpk= 1112, nxpk= 20, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1316,1317,
&end
#
# 0 AMB 20-2:1113 0 AMB 20-1:1113 3.00 (# 1113:20 Double Ambig)
&rst
ixpk= 1113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1319,1320, 366, 367,
igr2=1314, 361,
&end
#
# 0 AMB 20-2:1114 0 AMB 20-1:1114 3.00 (# 1114:20 Double Ambig)
&rst
ixpk= 1114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 422, 363, 364, 278, 279,
igr2= 361,1314,
&end
#
# 0 AMB 20-2:1115 0 AMB 20-1:1115 3.00 (# 1115:20 Double Ambig)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 283, 284, 285, 287, 288, 289, 424, 425, 426, 428,
429, 430,
igr2=1314, 361,
&end
#
# 48 MET HB- 45 LYS HA 4.00 (# 1116:20 Unique 1.96, 3.62 A)
&rst
ixpk= 1116, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 772, 773,
&end
#
# 45 LYS HB+ 45 LYS HA 4.00 (# 1117:20 Unique 2.30, 2.77 A)
&rst
ixpk= 1117, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 725, 726,
&end
#
# 45 LYS HD+ 45 LYS HA 4.00 (# 1118:20 Unique 2.13, 2.82 A)
&rst
ixpk= 1118, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 731, 732,
&end
#
# 45 LYS HG+ 45 LYS HA 4.00 (# 1119:20 Unique 2.14, 3.16 A)
&rst
ixpk= 1119, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 728, 729,
&end
#
# 0 AMB 20-2:1121 137 GLU HA 3.00 (# 1121:20 Single Ambig)
&rst
ixpk= 1121, nxpk= 20, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2217,2081,2082,
&end
#
# 140 VAL MGX 137 GLU HA 4.00 (# 1122:20 Unique 1.93, 4.50 A)
&rst
ixpk= 1122, nxpk= 20, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2219,2220,2221,2223,2224,2225,
&end
#
# 0 AMB 20-2:1123 137 GLU HA 3.00 (# 1123:20 Single Ambig)
&rst
ixpk= 1123, nxpk= 20, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2159,2160,2156,2157,
&end
#
# 54 PHE HB- 54 PHE HA 4.00 (# 1124:20 Unique 2.42, 2.83 A)
&rst
ixpk= 1124, nxpk= 20, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 865, 866,
&end
#
# 54 PHE HB+ 54 PHE HA 3.00 (# 1125:20 Unique 2.42, 2.83 A)
&rst
ixpk= 1125, nxpk= 20, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 865, 866,
&end
#
# 57 LYS HB- 54 PHE HA 5.00 (# 1126:20 Unique 1.91, 2.85 A)
&rst
ixpk= 1126, nxpk= 20, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 921, 922,
&end
#
# 57 LYS HG+ 54 PHE HA 5.00 (# 1127:20 Unique 1.94, 3.56 A)
&rst
ixpk= 1127, nxpk= 20, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 924, 925,
&end
#
# 0 AMB 20-2:1128 24 GLU HA 3.00 (# 1128:20 Single Ambig)
&rst
ixpk= 1128, nxpk= 20, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 390, 391, 405, 406,
&end
#
# 24 GLU HB+ 24 GLU HA 3.00 (# 1129:20 Unique 2.33, 2.47 A)
&rst
ixpk= 1129, nxpk= 20, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 387, 388,
&end
#
# 21 VAL HB 21 VAL HA 3.00 (# 1131:20 Unique 2.29, 2.50 A)
&rst
ixpk= 1131, nxpk= 20, iat= 333, 331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 VAL MGX 21 VAL HA 3.00 (# 1132:20 Unique 2.08, 3.46 A)
&rst
ixpk= 1132, nxpk= 20, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 335, 336, 337, 339, 340, 341,
&end
#
# 57 LYS HB+ 54 PHE HA 4.00 (# 1133:20 Unique 1.91, 2.85 A)
&rst
ixpk= 1133, nxpk= 20, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 921, 922,
&end
#
# 83 GLU HG- 83 GLU HA 3.00 (# 1134:20 Unique 2.00, 2.69 A)
&rst
ixpk= 1134, nxpk= 20, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1341,1342,
&end
#
# 0 AMB 20-2:1135 83 GLU HA 3.00 (# 1135:20 Single Ambig)
&rst
ixpk= 1135, nxpk= 20, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1341,1342,1338,1339,
&end
#
# 83 GLU HB- 83 GLU HA 3.00 (# 1136:20 Unique 2.46, 2.87 A)
&rst
ixpk= 1136, nxpk= 20, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1338,1339,
&end
#
# 86 ALA MB 83 GLU HA 3.00 (# 1137:20 Unique 1.99, 3.19 A)
&rst
ixpk= 1137, nxpk= 20, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1377,1378,1379,
&end
#
# 141 ASN HB+ 142 ARG HA 4.00 (# 1138:20 Unique 3.88, 4.57 A)
&rst
ixpk= 1138, nxpk= 20, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2233,2234,
&end
#
# 56 ASP HA 53 GLU HA 6.00 (# 1139:20 Unique 5.01, 5.82 A)
&rst
ixpk= 1139, nxpk= 20, iat= 907, 848, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 THR MG2 21 VAL HA 5.00 (# 1142:20 Unique 3.70, 4.92 A)
&rst
ixpk= 1142, nxpk= 20, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 351, 352, 353,
&end
#
# 60 ASP HA 59 GLN HA 5.00 (# 1143:20 Unique 4.25, 4.34 A)
&rst
ixpk= 1143, nxpk= 20, iat= 979, 962, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:1144 59 GLN HA 3.00 (# 1144:20 Single Ambig)
&rst
ixpk= 1144, nxpk= 20, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 967, 968, 964, 965,
&end
#
# 59 GLN HB- 59 GLN HA 3.00 (# 1145:20 Unique 2.57, 2.86 A)
&rst
ixpk= 1145, nxpk= 20, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 964, 965,
&end
#
# 0 AMB 20-2:1147 0 AMB 20-1:1147 3.00 (# 1147:20 Double Ambig)
&rst
ixpk= 1147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 850, 851,2247,2248,
igr2= 848,2245,
&end
#
# 106 PHE HB- 106 PHE HA 3.00 (# 1148:20 Unique 2.36, 2.66 A)
&rst
ixpk= 1148, nxpk= 20, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1667,1668,
&end
#
# 0 AMB 20-2:1149 0 AMB 20-1:1149 3.00 (# 1149:20 Double Ambig)
&rst
ixpk= 1149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 850, 851, 8, 9,
igr2= 801,1665,
&end
#
# 57 LYS HG+ 57 LYS HA 4.00 (# 1150:20 Unique 2.29, 3.26 A)
&rst
ixpk= 1150, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 924, 925,
&end
#
# 146 GLU HG+ 142 ARG HA 4.00 (# 1152:20 Unique 2.93, 4.47 A)
&rst
ixpk= 1152, nxpk= 20, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2319,2320,
&end
#
# 142 ARG HD+ 142 ARG HA 4.00 (# 1153:20 Unique 2.21, 3.17 A)
&rst
ixpk= 1153, nxpk= 20, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2253,2254,
&end
#
# 0 AMB 20-2:1154 53 GLU HA 3.00 (# 1154:20 Single Ambig)
&rst
ixpk= 1154, nxpk= 20, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 850, 851, 853, 854,
&end
#
# 142 ARG HG+ 142 ARG HA 3.00 (# 1155:20 Unique 2.04, 3.04 A)
&rst
ixpk= 1155, nxpk= 20, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2250,2251,
&end
#
# 145 ALA MB 142 ARG HA 3.00 (# 1156:20 Unique 2.00, 3.52 A)
&rst
ixpk= 1156, nxpk= 20, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2306,2307,2308,
&end
#
# 1 MET HG- 106 PHE HA 3.00 (# 1160:20 Unique 2.32, 5.09 A)
&rst
ixpk= 1160, nxpk= 20, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 11, 12,
&end
#
# 0 AMB 20-2:1161 0 AMB 20-1:1161 3.00 (# 1161:20 Double Ambig)
&rst
ixpk= 1161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 850, 851, 747, 748,
igr2= 801, 745,
&end
#
# 57 LYS HB- 57 LYS HA 3.00 (# 1163:20 Unique 2.24, 2.67 A)
&rst
ixpk= 1163, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 921, 922,
&end
#
# 57 LYS HB+ 57 LYS HA 3.00 (# 1164:20 Unique 2.24, 2.67 A)
&rst
ixpk= 1164, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 921, 922,
&end
#
# 80 LYS HB- 80 LYS HA 3.00 (# 1167:20 Unique 2.22, 2.47 A)
&rst
ixpk= 1167, nxpk= 20, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1275,1276,
&end
#
# 0 AMB 20-2:1169 0 AMB 20-1:1169 5.00 (# 1169:20 Double Ambig)
&rst
ixpk= 1169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1341,1342,1029,1030,
igr2=1273,1880,
&end
#
# 83 GLU HB- 80 LYS HA 3.00 (# 1170:20 Unique 2.62, 3.27 A)
&rst
ixpk= 1170, nxpk= 20, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1338,1339,
&end
#
# 0 AMB 20-2:1171 80 LYS HA 4.00 (# 1171:20 Single Ambig)
&rst
ixpk= 1171, nxpk= 20, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1281,1282,1281,1282,1322,1323,
&end
#
# 0 AMB 20-2:1172 0 AMB 20-1:1172 3.00 (# 1172:20 Double Ambig)
&rst
ixpk= 1172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1278,1279,1888,1889,
igr2=1273,1880,
&end
#
# 0 AMB 20-2:1173 0 AMB 20-1:1173 3.00 (# 1173:20 Double Ambig)
&rst
ixpk= 1173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1278,1279, 444, 445,
igr2=1273,1880,
&end
#
# 0 AMB 20-2:1174 0 AMB 20-1:1174 3.00 (# 1174:20 Double Ambig)
&rst
ixpk= 1174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 806, 807, 806, 807,1390,1391,1387,1388, 803, 804,
igr2= 801,1385,
&end
#
# 57 LYS HG- 57 LYS HA 3.00 (# 1175:20 Unique 2.29, 3.26 A)
&rst
ixpk= 1175, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 924, 925,
&end
#
# 0 AMB 20-2:1176 55 ARG HA 4.00 (# 1176:20 Single Ambig)
&rst
ixpk= 1176, nxpk= 20, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 962, 863,
&end
#
# 0 AMB 20-2:1177 55 ARG HA 3.00 (# 1177:20 Single Ambig)
&rst
ixpk= 1177, nxpk= 20, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 885, 886,1464,1465,
&end
#
# 0 AMB 20-2:1182 131 SER HA 4.00 (# 1182:20 Single Ambig)
&rst
ixpk= 1182, nxpk= 20, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2063,2064, 694,
&end
#
# 131 SER HB- 131 SER HA 3.00 (# 1183:20 Unique 2.31, 2.76 A)
&rst
ixpk= 1183, nxpk= 20, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2063,2064,
&end
#
# 83 GLU HB+ 80 LYS HA 6.00 (# 1184:20 Unique 2.62, 3.27 A)
&rst
ixpk= 1184, nxpk= 20, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1338,1339,
&end
#
# 119 LYS HB+ 119 LYS HA 3.00 (# 1185:20 Unique 2.24, 2.45 A)
&rst
ixpk= 1185, nxpk= 20, iat= -1,1880, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1882,1883,
&end
#
# 119 LYS HG- 119 LYS HA 6.00 (# 1186:20 Unique 3.50, 3.81 A)
&rst
ixpk= 1186, nxpk= 20, iat= -1,1880, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1885,1886,
&end
#
# 100 HIS HB- 100 HIS HA 3.00 (# 1188:20 Unique 2.54, 2.83 A)
&rst
ixpk= 1188, nxpk= 20, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1585,1586,
&end
#
# 148 GLU HB+ 148 GLU HA 3.00 (# 1191:20 Unique 2.27, 2.76 A)
&rst
ixpk= 1191, nxpk= 20, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2345,2346,
&end
#
# 0 AMB 20-2:1196 4 ARG HA 4.00 (# 1196:20 Single Ambig)
&rst
ixpk= 1196, nxpk= 20, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 72, 73, 72, 73,
&end
#
# 4 ARG HB- 4 ARG HA 3.00 (# 1197:20 Unique 2.38, 2.74 A)
&rst
ixpk= 1197, nxpk= 20, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 66, 67,
&end
#
# 4 ARG HB+ 4 ARG HA 3.00 (# 1198:20 Unique 2.38, 2.74 A)
&rst
ixpk= 1198, nxpk= 20, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 66, 67,
&end
#
# 4 ARG HG- 4 ARG HA 3.00 (# 1199:20 Unique 2.47, 3.26 A)
&rst
ixpk= 1199, nxpk= 20, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 69, 70,
&end
#
# 4 ARG HG+ 4 ARG HA 3.00 (# 1200:20 Unique 2.47, 3.26 A)
&rst
ixpk= 1200, nxpk= 20, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 69, 70,
&end
#
# 136 LEU HB- 136 LEU HA 3.00 (# 1201:20 Unique 2.26, 2.77 A)
&rst
ixpk= 1201, nxpk= 20, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2137,2138,
&end
#
# 0 AMB 20-2:1202 136 LEU HA 3.00 (# 1202:20 Single Ambig)
&rst
ixpk= 1202, nxpk= 20, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=2193,2194,2137,2138,2140,
&end
#
# 136 LEU MDX 136 LEU HA 3.00 (# 1203:20 Unique 1.91, 3.50 A)
&rst
ixpk= 1203, nxpk= 20, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2142,2143,2144,2146,2147,2148,
&end
#
# 136 LEU MDY 136 LEU HA 4.00 (# 1204:20 Unique 1.91, 3.50 A)
&rst
ixpk= 1204, nxpk= 20, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2142,2143,2144,2146,2147,2148,
&end
#
# 119 LYS HD- 29 GLU HA 3.00 (# 1208:20 Unique 1.97, 2.72 A)
&rst
ixpk= 1208, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1888,1889,
&end
#
# 119 LYS HB+ 29 GLU HA 4.00 (# 1209:20 Unique 2.28, 3.77 A)
&rst
ixpk= 1209, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1882,1883,
&end
#
# 111 VAL HB 111 VAL HA 3.00 (# 1210:20 Unique 2.24, 2.67 A)
&rst
ixpk= 1210, nxpk= 20, iat=1752,1750, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 113 ALA MB 111 VAL HA 4.00 (# 1211:20 Unique 2.73, 3.80 A)
&rst
ixpk= 1211, nxpk= 20, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1782,1783,1784,
&end
#
# 111 VAL MGX 111 VAL HA 3.00 (# 1212:20 Unique 2.17, 3.35 A)
&rst
ixpk= 1212, nxpk= 20, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1754,1755,1756,1758,1759,1760,
&end
#
# 29 GLU HG- 29 GLU HA 3.00 (# 1217:20 Unique 2.20, 3.08 A)
&rst
ixpk= 1217, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 467, 468,
&end
#
# 29 GLU HB+ 29 GLU HA 3.00 (# 1218:20 Unique 2.34, 2.72 A)
&rst
ixpk= 1218, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 464, 465,
&end
#
# 29 GLU HB- 29 GLU HA 3.00 (# 1219:20 Unique 2.34, 2.72 A)
&rst
ixpk= 1219, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 464, 465,
&end
#
# 135 MET HB+ 135 MET HA 3.00 (# 1221:20 Unique 2.33, 2.67 A)
&rst
ixpk= 1221, nxpk= 20, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2120,2121,
&end
#
# 43 LEU MDY 43 LEU HA 3.00 (# 1223:20 Unique 1.99, 3.65 A)
&rst
ixpk= 1223, nxpk= 20, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 701, 702, 703, 705, 706, 707,
&end
#
# 103 THR MG2 100 HIS HA 4.00 (# 1227:20 Unique 3.86, 5.24 A)
&rst
ixpk= 1227, nxpk= 20, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1633,1634,1635,
&end
#
# 144 LEU MDX 144 LEU HA 3.00 (# 1230:20 Unique 2.04, 4.02 A)
&rst
ixpk= 1230, nxpk= 20, iat= -1,2285, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2292,2293,2294,2296,2297,2298,
&end
#
# 144 LEU HB+ 144 LEU HA 3.00 (# 1231:20 Unique 2.43, 2.76 A)
&rst
ixpk= 1231, nxpk= 20, iat= -1,2285, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2287,2288,
&end
#
# 139 ARG HD- 139 ARG HA 3.00 (# 1234:20 Unique 1.98, 2.99 A)
&rst
ixpk= 1234, nxpk= 20, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2199,2200,
&end
#
# 139 ARG HD+ 139 ARG HA 4.00 (# 1235:20 Unique 1.98, 2.99 A)
&rst
ixpk= 1235, nxpk= 20, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2199,2200,
&end
#
# 9 GLU HG- 9 GLU HA 4.00 (# 1236:20 Unique 2.04, 3.01 A)
&rst
ixpk= 1236, nxpk= 20, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 155, 156,
&end
#
# 0 AMB 20-2:1237 0 AMB 20-1:1237 3.00 (# 1237:20 Double Ambig)
&rst
ixpk= 1237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2247,2248, 152, 153,
igr2=2191, 150,
&end
#
# 9 GLU HB+ 9 GLU HA 3.00 (# 1238:20 Unique 2.54, 2.82 A)
&rst
ixpk= 1238, nxpk= 20, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 152, 153,
&end
#
# 142 ARG HG+ 139 ARG HA 3.00 (# 1239:20 Unique 2.66, 3.73 A)
&rst
ixpk= 1239, nxpk= 20, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2250,2251,
&end
#
# 139 ARG HB- 139 ARG HA 3.00 (# 1240:20 Unique 2.50, 2.84 A)
&rst
ixpk= 1240, nxpk= 20, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2193,2194,
&end
#
# 139 ARG HB+ 139 ARG HA 4.00 (# 1241:20 Unique 2.50, 2.84 A)
&rst
ixpk= 1241, nxpk= 20, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2193,2194,
&end
#
# 72 SER HB+ 72 SER HA 3.00 (# 1242:20 Unique 2.42, 2.85 A)
&rst
ixpk= 1242, nxpk= 20, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1173,1174,
&end
#
# 0 AMB 20-2:1243 0 AMB 20-1:1243 3.00 (# 1243:20 Double Ambig)
&rst
ixpk= 1243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 658, 659,1173,1174,
igr2= 656,1171,
&end
#
# 0 AMB 20-2:1244 104 ASP HA 4.00 (# 1244:20 Single Ambig)
&rst
ixpk= 1244, nxpk= 20, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1685,1629,
&end
#
# 104 ASP HB- 104 ASP HA 3.00 (# 1245:20 Unique 2.51, 2.81 A)
&rst
ixpk= 1245, nxpk= 20, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1645,1646,
&end
#
# 104 ASP HB+ 104 ASP HA 3.00 (# 1246:20 Unique 2.51, 2.81 A)
&rst
ixpk= 1246, nxpk= 20, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1645,1646,
&end
#
# 48 MET HB- 48 MET HA 3.00 (# 1247:20 Unique 2.33, 2.81 A)
&rst
ixpk= 1247, nxpk= 20, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 772, 773,
&end
#
# 48 MET HB+ 48 MET HA 3.00 (# 1248:20 Unique 2.33, 2.81 A)
&rst
ixpk= 1248, nxpk= 20, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 772, 773,
&end
#
# 51 VAL HB 48 MET HA 3.00 (# 1249:20 Unique 2.53, 3.02 A)
&rst
ixpk= 1249, nxpk= 20, iat= 820, 770, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 VAL MGX 48 MET HA 6.00 (# 1250:20 Unique 2.20, 4.98 A)
&rst
ixpk= 1250, nxpk= 20, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 20-2:1251 102 LEU HA 3.00 (# 1251:20 Single Ambig)
&rst
ixpk= 1251, nxpk= 20, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1657,1658,1659, 141, 142,
&end
#
# 102 LEU HB- 102 LEU HA 3.00 (# 1252:20 Unique 2.31, 2.78 A)
&rst
ixpk= 1252, nxpk= 20, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1612,1613,
&end
#
# 102 LEU HG 102 LEU HA 4.00 (# 1254:20 Unique 2.32, 2.82 A)
&rst
ixpk= 1254, nxpk= 20, iat=1615,1610, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 102 LEU MDX 102 LEU HA 3.00 (# 1255:20 Unique 1.95, 3.81 A)
&rst
ixpk= 1255, nxpk= 20, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1617,1618,1619,1621,1622,1623,
&end
#
# 146 GLU HG- 146 GLU HA 3.00 (# 1256:20 Unique 2.24, 3.41 A)
&rst
ixpk= 1256, nxpk= 20, iat= -1,2314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2319,2320,
&end
#
# 146 GLU HG+ 146 GLU HA 3.00 (# 1257:20 Unique 2.24, 3.41 A)
&rst
ixpk= 1257, nxpk= 20, iat= -1,2314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2319,2320,
&end
#
# 146 GLU HB- 146 GLU HA 3.00 (# 1258:20 Unique 2.31, 2.68 A)
&rst
ixpk= 1258, nxpk= 20, iat= -1,2314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2316,2317,
&end
#
# 25 GLN HG+ 25 GLN HA 3.00 (# 1259:20 Unique 1.97, 2.74 A)
&rst
ixpk= 1259, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 405, 406,
&end
#
# 25 GLN HB- 25 GLN HA 3.00 (# 1260:20 Unique 2.38, 2.83 A)
&rst
ixpk= 1260, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 402, 403,
&end
#
# 25 GLN HB+ 25 GLN HA 3.00 (# 1261:20 Unique 2.38, 2.83 A)
&rst
ixpk= 1261, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 402, 403,
&end
#
# 144 LEU MDY 144 LEU HA 4.00 (# 1262:20 Unique 2.04, 4.02 A)
&rst
ixpk= 1262, nxpk= 20, iat= -1,2285, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2292,2293,2294,2296,2297,2298,
&end
#
# 109 GLU HG+ 109 GLU HA 3.00 (# 1263:20 Unique 2.00, 2.72 A)
&rst
ixpk= 1263, nxpk= 20, iat= -1,1714, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1719,1720,
&end
#
# 107 GLU HB+ 104 ASP HA 5.00 (# 1267:20 Unique 3.69, 5.37 A)
&rst
ixpk= 1267, nxpk= 20, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1687,1688,
&end
#
# 0 AMB 20-2:1269 25 GLN HA 5.00 (# 1269:20 Single Ambig)
&rst
ixpk= 1269, nxpk= 20, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 424, 425, 426, 428, 429, 430, 335, 336, 337, 339,
340, 341,
&end
#
# 109 GLU HB- 109 GLU HA 3.00 (# 1272:20 Unique 2.35, 2.82 A)
&rst
ixpk= 1272, nxpk= 20, iat= -1,1714, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1716,1717,
&end
#
# 104 ASP HA 107 GLU HA 3.00 (# 1274:20 Unique 4.08, 4.39 A)
&rst
ixpk= 1274, nxpk= 20, iat=1643,1685, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1276 107 GLU HA 3.00 (# 1276:20 Single Ambig)
&rst
ixpk= 1276, nxpk= 20, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1690,1691,1687,1688,
&end
#
# 0 AMB 20-2:1278 3 LEU HA 3.00 (# 1278:20 Single Ambig)
&rst
ixpk= 1278, nxpk= 20, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 47, 48, 50,
&end
#
# 3 LEU HB- 3 LEU HA 3.00 (# 1279:20 Unique 2.23, 2.71 A)
&rst
ixpk= 1279, nxpk= 20, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 47, 48,
&end
#
# 3 LEU MDX 3 LEU HA 4.00 (# 1280:20 Unique 1.92, 3.88 A)
&rst
ixpk= 1280, nxpk= 20, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 0 AMB 20-2:1281 3 LEU HA 3.00 (# 1281:20 Single Ambig)
&rst
ixpk= 1281, nxpk= 20, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 52, 53, 54, 56, 57, 58,1947,1948,1949,1951,
1952,1953,
&end
#
# 55 ARG HA 56 ASP HA 5.00 (# 1283:20 Unique 4.62, 4.70 A)
&rst
ixpk= 1283, nxpk= 20, iat= 883, 907, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:1285 141 ASN HA 5.00 (# 1285:20 Single Ambig)
&rst
ixpk= 1285, nxpk= 20, iat= -1,2231, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2245,2285,
&end
#
# 141 ASN HB- 141 ASN HA 3.00 (# 1286:20 Unique 2.35, 2.70 A)
&rst
ixpk= 1286, nxpk= 20, iat= -1,2231, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2233,2234,
&end
#
# 141 ASN HB+ 141 ASN HA 3.00 (# 1287:20 Unique 2.35, 2.70 A)
&rst
ixpk= 1287, nxpk= 20, iat= -1,2231, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2233,2234,
&end
#
# 144 LEU HB- 141 ASN HA 3.00 (# 1289:20 Unique 2.29, 3.38 A)
&rst
ixpk= 1289, nxpk= 20, iat= -1,2231, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2287,2288,
&end
#
# 144 LEU MDX 141 ASN HA 5.00 (# 1290:20 Unique 1.94, 4.40 A)
&rst
ixpk= 1290, nxpk= 20, iat= -1,2231, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2292,2293,2294,2296,2297,2298,
&end
#
# 144 LEU MDY 141 ASN HA 3.00 (# 1291:20 Unique 1.94, 4.40 A)
&rst
ixpk= 1291, nxpk= 20, iat= -1,2231, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2292,2293,2294,2296,2297,2298,
&end
#
# 38 SER HB- 38 SER HA 4.00 (# 1294:20 Unique 2.26, 2.74 A)
&rst
ixpk= 1294, nxpk= 20, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 628, 629,
&end
#
# 0 AMB 20-2:1296 0 AMB 20-1:1296 3.00 (# 1296:20 Double Ambig)
&rst
ixpk= 1296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1101,1102,1687,1688,
igr2=1099,1685,
&end
#
# 68 HIS HB- 68 HIS HA 6.00 (# 1297:20 Unique 2.23, 2.81 A)
&rst
ixpk= 1297, nxpk= 20, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1101,1102,
&end
#
# 123 LEU MDY 123 LEU HA 4.00 (# 1298:20 Unique 1.96, 3.67 A)
&rst
ixpk= 1298, nxpk= 20, iat= -1,1940, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1947,1948,1949,1951,1952,1953,
&end
#
# 30 LYS HE- 61 GLN HA 5.00 (# 1299:20 Unique 1.94, 3.13 A)
&rst
ixpk= 1299, nxpk= 20, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 488, 489,
&end
#
# 56 ASP HB+ 56 ASP HA 3.00 (# 1300:20 Unique 2.40, 2.81 A)
&rst
ixpk= 1300, nxpk= 20, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 909, 910,
&end
#
# 61 GLN HG+ 61 GLN HA 3.00 (# 1301:20 Unique 2.25, 2.71 A)
&rst
ixpk= 1301, nxpk= 20, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 996, 997,
&end
#
# 0 AMB 20-2:1302 61 GLN HA 3.00 (# 1302:20 Single Ambig)
&rst
ixpk= 1302, nxpk= 20, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 485, 486, 482, 483,
&end
#
# 0 AMB 20-2:1303 61 GLN HA 3.00 (# 1303:20 Single Ambig)
&rst
ixpk= 1303, nxpk= 20, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 993, 994, 479, 480,
&end
#
# 144 LEU MDX 61 GLN HA 6.00 (# 1304:20 Unique 3.08, 5.22 A)
&rst
ixpk= 1304, nxpk= 20, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2292,2293,2294,2296,2297,2298,
&end
#
# 88 HIS HB+ 88 HIS HA 3.00 (# 1305:20 Unique 2.36, 2.79 A)
&rst
ixpk= 1305, nxpk= 20, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1402,1403,
&end
#
# 38 SER HB+ 38 SER HA 5.00 (# 1320:20 Unique 2.26, 2.74 A)
&rst
ixpk= 1320, nxpk= 20, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 628, 629,
&end
#
# 0 AMB 20-2:1328 71 ARG HA 4.00 (# 1328:20 Single Ambig)
&rst
ixpk= 1328, nxpk= 20, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1155,1156,1211,1212,
&end
#
# 0 AMB 20-2:1329 0 AMB 20-1:1329 3.00 (# 1329:20 Double Ambig)
&rst
ixpk= 1329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1149,1150,1390,1391,
igr2=1147,1400,
&end
#
# 0 AMB 20-2:1330 71 ARG HA 3.00 (# 1330:20 Single Ambig)
&rst
ixpk= 1330, nxpk= 20, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1152,1153,1149,1150,
&end
#
# 71 ARG HG- 71 ARG HA 3.00 (# 1331:20 Unique 2.15, 2.54 A)
&rst
ixpk= 1331, nxpk= 20, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1152,1153,
&end
#
# 88 HIS HB- 88 HIS HA 3.00 (# 1332:20 Unique 2.36, 2.79 A)
&rst
ixpk= 1332, nxpk= 20, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1402,1403,
&end
#
# 60 ASP HB+ 60 ASP HA 3.00 (# 1338:20 Unique 2.35, 2.86 A)
&rst
ixpk= 1338, nxpk= 20, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 981, 982,
&end
#
# 59 GLN HG- 60 ASP HA 6.00 (# 1339:20 Unique 4.36, 5.73 A)
&rst
ixpk= 1339, nxpk= 20, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 967, 968,
&end
#
# 104 ASP HB- 101 ALA HA 3.00 (# 1340:20 Unique 2.50, 4.11 A)
&rst
ixpk= 1340, nxpk= 20, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1645,1646,
&end
#
# 0 AMB 20-2:1342 1 MET HA 3.00 (# 1342:20 Single Ambig)
&rst
ixpk= 1342, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 93, 94, 11, 12, 11, 12,
&end
#
# 1 MET HB- 1 MET HA 3.00 (# 1343:20 Unique 2.38, 2.77 A)
&rst
ixpk= 1343, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 8, 9,
&end
#
# 85 ALA MB 85 ALA HA 3.00 (# 1344:20 Unique 2.25, 2.66 A)
&rst
ixpk= 1344, nxpk= 20, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1367,1368,1369,
&end
#
# 0 AMB 20-2:1345 85 ALA HA 6.00 (# 1345:20 Single Ambig)
&rst
ixpk= 1345, nxpk= 20, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1437,1438, 779, 780, 781,
&end
#
# 90 ILE QG2 85 ALA HA 5.00 (# 1346:20 Unique 3.83, 5.94 A)
&rst
ixpk= 1346, nxpk= 20, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1433,1434,1435,
&end
#
# 90 ILE QD1 85 ALA HA 3.00 (# 1347:20 Unique 2.05, 3.83 A)
&rst
ixpk= 1347, nxpk= 20, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1440,1441,1442,
&end
#
# 88 HIS HB+ 85 ALA HA 5.00 (# 1348:20 Unique 2.03, 3.33 A)
&rst
ixpk= 1348, nxpk= 20, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1402,1403,
&end
#
# 122 GLN HB+ 122 GLN HA 4.00 (# 1349:20 Unique 2.26, 2.66 A)
&rst
ixpk= 1349, nxpk= 20, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1925,1926,
&end
#
# 14 LYS HB- 14 LYS HA 3.00 (# 1350:20 Unique 2.60, 2.85 A)
&rst
ixpk= 1350, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 222, 223,
&end
#
# 14 LYS HG+ 14 LYS HA 3.00 (# 1351:20 Unique 1.93, 2.65 A)
&rst
ixpk= 1351, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 225, 226,
&end
#
# 89 ASP HB- 0 AMB 20-1:1352 3.00 (# 1352:20 Single Ambig)
&rst
ixpk= 1352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1419,1420,
igr2=1417, 834,
&end
#
# 0 AMB 20-2:1353 0 AMB 20-1:1353 3.00 (# 1353:20 Double Ambig)
&rst
ixpk= 1353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1419,1420,1419,1420, 155, 156,
igr2=1417, 834,1600,
&end
#
# 0 AMB 20-2:1355 0 AMB 20-1:1355 3.00 (# 1355:20 Double Ambig)
&rst
ixpk= 1355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1223,1224, 422,
igr2=1221, 417,
&end
#
# 26 LEU MDX 26 LEU HA 4.00 (# 1356:20 Unique 1.97, 4.23 A)
&rst
ixpk= 1356, nxpk= 20, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 424, 425, 426, 428, 429, 430,
&end
#
# 0 AMB 20-2:1357 1 MET HA 3.00 (# 1357:20 Single Ambig)
&rst
ixpk= 1357, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 15, 16, 17,1657,1658,1659,
&end
#
# 2 LYS HG- 1 MET HA 5.00 (# 1358:20 Unique 3.14, 4.41 A)
&rst
ixpk= 1358, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 28, 29,
&end
#
# 0 AMB 20-2:1359 122 GLN HA 3.00 (# 1359:20 Single Ambig)
&rst
ixpk= 1359, nxpk= 20, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1925,1926,1928,1929,
&end
#
# 0 AMB 20-2:1364 0 AMB 20-1:1364 3.00 (# 1364:20 Double Ambig)
&rst
ixpk= 1364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1657,1658,1659,1702,1703, 885, 886,
igr2=1655,1700, 834,
&end
#
# 76 LEU MDX 76 LEU HA 4.00 (# 1365:20 Unique 2.32, 4.10 A)
&rst
ixpk= 1365, nxpk= 20, iat= -1,1221, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1228,1229,1230,1232,1233,1234,
&end
#
# 76 LEU MDY 76 LEU HA 4.00 (# 1366:20 Unique 2.32, 4.10 A)
&rst
ixpk= 1366, nxpk= 20, iat= -1,1221, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1228,1229,1230,1232,1233,1234,
&end
#
# 18 ASN HB- 18 ASN HA 3.00 (# 1372:20 Unique 2.32, 2.78 A)
&rst
ixpk= 1372, nxpk= 20, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 297, 298,
&end
#
# 18 ASN HB+ 18 ASN HA 3.00 (# 1373:20 Unique 2.32, 2.78 A)
&rst
ixpk= 1373, nxpk= 20, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 297, 298,
&end
#
# 108 ASN HB+ 108 ASN HA 4.00 (# 1375:20 Unique 2.38, 2.81 A)
&rst
ixpk= 1375, nxpk= 20, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1702,1703,
&end
#
# 86 ALA MB 86 ALA HA 3.00 (# 1376:20 Unique 2.26, 2.66 A)
&rst
ixpk= 1376, nxpk= 20, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1377,1378,1379,
&end
#
# 20 GLU HB- 20 GLU HA 3.00 (# 1378:20 Unique 2.36, 2.72 A)
&rst
ixpk= 1378, nxpk= 20, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 318, 319,
&end
#
# 6 PRO HD+ 5 GLN HA 3.00 (# 1379:20 Unique 2.18, 2.41 A)
&rst
ixpk= 1379, nxpk= 20, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 104, 105,
&end
#
# 6 PRO HD- 5 GLN HA 3.00 (# 1380:20 Unique 2.18, 2.41 A)
&rst
ixpk= 1380, nxpk= 20, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 104, 105,
&end
#
# 0 AMB 20-2:1381 0 AMB 20-1:1381 3.00 (# 1381:20 Double Ambig)
&rst
ixpk= 1381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 93, 94, 11, 12, 93, 94,
igr2= 88, 23,
&end
#
# 5 GLN HB+ 5 GLN HA 3.00 (# 1382:20 Unique 2.26, 2.50 A)
&rst
ixpk= 1382, nxpk= 20, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 90, 91,
&end
#
# 2 LYS HB- 2 LYS HA 3.00 (# 1386:20 Unique 2.27, 2.54 A)
&rst
ixpk= 1386, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 25, 26,
&end
#
# 0 AMB 20-2:1387 2 LYS HA 4.00 (# 1387:20 Single Ambig)
&rst
ixpk= 1387, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 52, 53, 54, 56, 57, 58,1947,1948,1949,1951,
1952,1953,
&end
#
# 2 LYS HB+ 2 LYS HA 3.00 (# 1388:20 Unique 2.27, 2.54 A)
&rst
ixpk= 1388, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 25, 26,
&end
#
# 2 LYS HG- 2 LYS HA 3.00 (# 1389:20 Unique 2.40, 3.58 A)
&rst
ixpk= 1389, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 28, 29,
&end
#
# 127 GLN HB+ 127 GLN HA 3.00 (# 1393:20 Unique 2.48, 2.85 A)
&rst
ixpk= 1393, nxpk= 20, iat= -1,2020, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2022,2023,
&end
#
# 128 ALA MB 127 GLN HA 6.00 (# 1394:20 Unique 3.86, 4.81 A)
&rst
ixpk= 1394, nxpk= 20, iat= -1,2020, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2039,2040,2041,
&end
#
# 8 PRO HD+ 7 MET HA 3.00 (# 1396:20 Unique 2.04, 2.23 A)
&rst
ixpk= 1396, nxpk= 20, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 135, 136,
&end
#
# 8 PRO HD- 7 MET HA 3.00 (# 1397:20 Unique 2.04, 2.23 A)
&rst
ixpk= 1397, nxpk= 20, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 135, 136,
&end
#
# 0 AMB 20-2:1398 7 MET HA 4.00 (# 1398:20 Single Ambig)
&rst
ixpk= 1398, nxpk= 20, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 121, 122, 170,
&end
#
# 7 MET ME 7 MET HA 4.00 (# 1399:20 Unique 2.35, 4.26 A)
&rst
ixpk= 1399, nxpk= 20, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 128, 129, 130,
&end
#
# 0 AMB 20-2:1406 92 GLN HA 3.00 (# 1406:20 Single Ambig)
&rst
ixpk= 1406, nxpk= 20, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1478,1479,1478,1479,
&end
#
# 102 LEU MDX 10 LEU HA 3.00 (# 1413:20 Unique 1.95, 4.29 A)
&rst
ixpk= 1413, nxpk= 20, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1617,1618,1619,1621,1622,1623,
&end
#
# 118 ASP HB+ 118 ASP HA 3.00 (# 1415:20 Unique 2.31, 2.73 A)
&rst
ixpk= 1415, nxpk= 20, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1870,1871,
&end
#
# 118 ASP HB- 118 ASP HA 3.00 (# 1416:20 Unique 2.31, 2.73 A)
&rst
ixpk= 1416, nxpk= 20, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1870,1871,
&end
#
# 10 LEU HB+ 10 LEU HA 6.00 (# 1417:20 Unique 2.38, 2.78 A)
&rst
ixpk= 1417, nxpk= 20, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 167, 168,
&end
#
# 10 LEU MDY 10 LEU HA 3.00 (# 1418:20 Unique 1.94, 3.38 A)
&rst
ixpk= 1418, nxpk= 20, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 172, 173, 174, 176, 177, 178,
&end
#
# 0 AMB 20-2:1420 118 ASP HA 3.00 (# 1420:20 Single Ambig)
&rst
ixpk= 1420, nxpk= 20, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
&end
#
# 0 AMB 20-2:1422 145 ALA HA 5.00 (# 1422:20 Single Ambig)
&rst
ixpk= 1422, nxpk= 20, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2285,2245,
&end
#
# 144 LEU HB+ 145 ALA HA 5.00 (# 1423:20 Unique 4.29, 4.51 A)
&rst
ixpk= 1423, nxpk= 20, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2287,2288,
&end
#
# 145 ALA MB 145 ALA HA 3.00 (# 1424:20 Unique 2.30, 2.66 A)
&rst
ixpk= 1424, nxpk= 20, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2306,2307,2308,
&end
#
# 31 PRO HA 118 ASP HA 5.00 (# 1426:20 Unique 2.87, 3.32 A)
&rst
ixpk= 1426, nxpk= 20, iat= 507,1868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HB- 118 ASP HA 4.00 (# 1427:20 Unique 1.87, 2.66 A)
&rst
ixpk= 1427, nxpk= 20, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 504, 505,
&end
#
# 49 PRO HD+ 47 ALA HA 4.00 (# 1439:20 Unique 2.40, 3.56 A)
&rst
ixpk= 1439, nxpk= 20, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 786, 787,
&end
#
# 0 AMB 20-2:1440 47 ALA HA 4.00 (# 1440:20 Single Ambig)
&rst
ixpk= 1440, nxpk= 20, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 806, 807, 803, 804,
&end
#
# 47 ALA MB 47 ALA HA 3.00 (# 1441:20 Unique 2.25, 2.66 A)
&rst
ixpk= 1441, nxpk= 20, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 762, 763, 764,
&end
#
# 15 ALA MB 15 ALA HA 3.00 (# 1445:20 Unique 2.24, 2.66 A)
&rst
ixpk= 1445, nxpk= 20, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 244, 245, 246,
&end
#
# 78 PRO HG+ 78 PRO HD+ 3.00 (# 1447:20 Unique 2.30, 2.59 A)
&rst
ixpk= 1447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1254,1255,
igr2=1251,1252,
&end
#
# 8 PRO HG+ 8 PRO HD+ 4.00 (# 1448:20 Unique 2.30, 2.59 A)
&rst
ixpk= 1448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 138, 139,
igr2= 135, 136,
&end
#
# 5 GLN HA 6 PRO HD+ 3.00 (# 1452:20 Unique 2.18, 2.41 A)
&rst
ixpk= 1452, nxpk= 20, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 104, 105,
&end
#
# 78 PRO HA 78 PRO HD- 4.00 (# 1453:20 Unique 3.79, 3.88 A)
&rst
ixpk= 1453, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1251,1252,
&end
#
# 78 PRO HG+ 78 PRO HD- 3.00 (# 1455:20 Unique 2.30, 2.59 A)
&rst
ixpk= 1455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1254,1255,
igr2=1251,1252,
&end
#
# 0 AMB 20-2:1456 0 AMB 20-1:1456 3.00 (# 1456:20 Double Ambig)
&rst
ixpk= 1456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 789, 790,1257,1258,
igr2= 786, 787,1251,1252,
&end
#
# 78 PRO HA 78 PRO HD- 4.00 (# 1457:20 Unique 3.79, 3.88 A)
&rst
ixpk= 1457, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1251,1252,
&end
#
# 0 AMB 20-2:1459 0 AMB 20-1:1459 4.00 (# 1459:20 Double Ambig)
&rst
ixpk= 1459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 15, 16, 17, 170, 141, 142,
igr2= 135, 136, 135, 136, 135, 136,
&end
#
# 8 PRO HG- 8 PRO HD+ 4.00 (# 1460:20 Unique 2.30, 2.59 A)
&rst
ixpk= 1460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 138, 139,
igr2= 135, 136,
&end
#
# 7 MET HA 8 PRO HD- 4.00 (# 1461:20 Unique 2.04, 2.23 A)
&rst
ixpk= 1461, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 135, 136,
&end
#
# 0 AMB 20-2:1463 8 PRO HD- 4.00 (# 1463:20 Single Ambig)
&rst
ixpk= 1463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 15, 16, 17, 170, 141, 142,
igr2= 135, 136,
&end
#
# 8 PRO HG- 8 PRO HD- 4.00 (# 1464:20 Unique 2.30, 2.59 A)
&rst
ixpk= 1464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 138, 139,
igr2= 135, 136,
&end
#
# 8 PRO HG+ 8 PRO HD- 4.00 (# 1465:20 Unique 2.30, 2.59 A)
&rst
ixpk= 1465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 138, 139,
igr2= 135, 136,
&end
#
# 0 AMB 20-2:1468 0 AMB 20-1:1468 4.00 (# 1468:20 Double Ambig)
&rst
ixpk= 1468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 93, 94,2084,2085,1402,1403,
igr2= 104, 105, 786, 787, 786, 787,
&end
#
# 5 GLN HA 6 PRO HD- 3.00 (# 1474:20 Unique 2.18, 2.41 A)
&rst
ixpk= 1474, nxpk= 20, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 104, 105,
&end
#
# 46 GLU HA 49 PRO HD- 4.00 (# 1475:20 Unique 3.15, 3.57 A)
&rst
ixpk= 1475, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 786, 787,
&end
#
# 0 AMB 20-2:1476 0 AMB 20-1:1476 3.00 (# 1476:20 Double Ambig)
&rst
ixpk= 1476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 93, 94,2084,2085,1402,1403,
igr2= 104, 105, 786, 787,
&end
#
# 0 AMB 20-2:1477 0 AMB 20-1:1477 3.00 (# 1477:20 Double Ambig)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1121,1122, 789, 790,1135,1136,1135,1136,
igr2=1132,1133, 786, 787,
&end
#
# 0 AMB 20-2:1478 70 PRO HD- 3.00 (# 1478:20 Single Ambig)
&rst
ixpk= 1478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1125,1126,1127,1118,1119,
igr2=1132,1133,
&end
#
# 144 LEU MDX 31 PRO HD+ 4.00 (# 1486:20 Unique 1.96, 4.72 A)
&rst
ixpk= 1486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2292,2293,2294,2296,2297,2298,
igr2= 498, 499,
&end
#
# 0 AMB 20-2:1488 0 AMB 20-1:1488 4.00 (# 1488:20 Double Ambig)
&rst
ixpk= 1488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1464,1465,1464,1465,
igr2=1478,1479,1478,1479,
&end
#
# 0 AMB 20-2:1491 0 AMB 20-1:1491 3.00 (# 1491:20 Double Ambig)
&rst
ixpk= 1491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 479, 480,1010,1011, 501, 502,
igr2= 498, 499, 498, 499, 498, 499,
&end
#
# 0 AMB 20-2:1493 0 AMB 20-1:1493 4.00 (# 1493:20 Double Ambig)
&rst
ixpk= 1493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1882,1883, 482, 483,
igr2= 498, 499, 498, 499,
&end
#
# 0 AMB 20-2:1494 0 AMB 20-1:1494 6.00 (# 1494:20 Double Ambig)
&rst
ixpk= 1494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 479, 480,1882,1883,
igr2= 498, 499, 498, 499,
&end
#
# 92 GLN HA 0 AMB 20-1:1496 3.00 (# 1496:20 Single Ambig)
&rst
ixpk= 1496, nxpk= 20, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1478,1479,1478,1479,
&end
#
# 65 VAL HB 0 AMB 20-1:1497 4.00 (# 1497:20 Single Ambig)
&rst
ixpk= 1497, nxpk= 20, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1478,1479,1478,1479,
&end
#
# 144 LEU MDX 31 PRO HD- 6.00 (# 1498:20 Unique 1.96, 4.72 A)
&rst
ixpk= 1498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2292,2293,2294,2296,2297,2298,
igr2= 498, 499,
&end
#
# 66 ALA MB 66 ALA HA 3.00 (# 1506:20 Unique 2.24, 2.66 A)
&rst
ixpk= 1506, nxpk= 20, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1075,1076,1077,
&end
#
# 65 VAL MGX 66 ALA HA 5.00 (# 1507:20 Unique 3.58, 5.58 A)
&rst
ixpk= 1507, nxpk= 20, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1061,1062,1063,1065,1066,1067,
&end
#
# 0 AMB 20-2:1510 62 LEU HB- 4.00 (# 1510:20 Single Ambig)
&rst
ixpk= 1510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1013,2290,
igr2=1010,1011,
&end
#
# 62 LEU MDY 62 LEU HB- 3.00 (# 1512:20 Unique 1.97, 3.40 A)
&rst
ixpk= 1512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1015,1016,1017,1019,1020,1021,
igr2=1010,1011,
&end
#
# 0 AMB 20-2:1514 0 AMB 20-1:1514 5.00 (# 1514:20 Double Ambig)
&rst
ixpk= 1514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1013,2290,
igr2=1010,1011,1010,1011,
&end
#
# 82 LYS HB+ 79 GLY HA+ 4.00 (# 1522:20 Unique 3.37, 4.99 A)
&rst
ixpk= 1522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1316,1317,
igr2=1266,1267,
&end
#
# 27 ILE QD1 121 GLY HA- 4.00 (# 1527:20 Unique 1.94, 3.00 A)
&rst
ixpk= 1527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 447, 448, 449,
igr2=1916,1917,
&end
#
# 43 LEU MDY 0 AMB 20-1:1531 3.00 (# 1531:20 Single Ambig)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 701, 702, 703, 705, 706, 707,
igr2=2054,2055,2072,2073,
&end
#
# 7 MET ME 121 GLY HA+ 4.00 (# 1534:20 Unique 1.91, 4.09 A)
&rst
ixpk= 1534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 128, 129, 130,
igr2=1916,1917,
&end
#
# 27 ILE QG2 0 AMB 20-1:1535 3.00 (# 1535:20 Single Ambig)
&rst
ixpk= 1535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 440, 441, 442,
igr2=1916,1917, 455, 456,
&end
#
# 27 ILE HA 28 GLY HA- 6.00 (# 1536:20 Unique 4.31, 4.54 A)
&rst
ixpk= 1536, nxpk= 20, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 455, 456,
&end
#
# 7 MET ME 121 GLY HA- 4.00 (# 1538:20 Unique 1.91, 4.09 A)
&rst
ixpk= 1538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 128, 129, 130,
igr2=1916,1917,
&end
#
# 27 ILE QG2 121 GLY HA- 4.00 (# 1539:20 Unique 2.51, 4.26 A)
&rst
ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 440, 441, 442,
igr2=1916,1917,
&end
#
# 0 AMB 20-2:1543 12 GLY HA- 4.00 (# 1543:20 Single Ambig)
&rst
ixpk= 1543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1602,1603,1604, 167, 168,
igr2= 198, 199,
&end
#
# 0 AMB 20-2:1550 0 AMB 20-1:1550 4.00 (# 1550:20 Double Ambig)
&rst
ixpk= 1550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=2273,2274,2275,2277,2278,2279,1061,1062,1063,1065,
1066,1067,
igr2= 529, 530, 529, 530,
&end
#
# 33 LEU MDX 33 LEU HB- 4.00 (# 1552:20 Unique 2.02, 3.39 A)
&rst
ixpk= 1552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 534, 535, 536, 538, 539, 540,
igr2= 529, 530,
&end
#
# 62 LEU MDX 33 LEU HB- 4.00 (# 1553:20 Unique 1.92, 3.36 A)
&rst
ixpk= 1553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1015,1016,1017,1019,1020,1021,
igr2= 529, 530,
&end
#
# 33 LEU MDY 33 LEU HB- 4.00 (# 1554:20 Unique 2.02, 3.39 A)
&rst
ixpk= 1554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 534, 535, 536, 538, 539, 540,
igr2= 529, 530,
&end
#
# 0 AMB 20-2:1561 17 LEU HB- 4.00 (# 1561:20 Single Ambig)
&rst
ixpk= 1561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1504,1505,1506, 283, 284, 285, 287, 288, 289,
igr2= 278, 279,
&end
#
# 17 LEU MDX 17 LEU HB- 4.00 (# 1562:20 Unique 2.16, 3.48 A)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 283, 284, 285, 287, 288, 289,
igr2= 278, 279,
&end
#
# 17 LEU MDX 17 LEU HB+ 4.00 (# 1563:20 Unique 2.16, 3.48 A)
&rst
ixpk= 1563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 283, 284, 285, 287, 288, 289,
igr2= 278, 279,
&end
#
# 0 AMB 20-2:1564 0 AMB 20-1:1564 3.00 (# 1564:20 Double Ambig)
&rst
ixpk= 1564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1504,1505,1506, 283, 284, 285, 287, 288, 289,
igr2= 278, 279, 278, 279,
&end
#
# 0 AMB 20-2:1565 0 AMB 20-1:1565 5.00 (# 1565:20 Double Ambig)
&rst
ixpk= 1565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1495,1316,1317,
igr2= 278, 279, 278, 279,
&end
#
# 142 ARG HA 142 ARG HD+ 3.00 (# 1578:20 Unique 2.21, 3.17 A)
&rst
ixpk= 1578, nxpk= 20, iat=2245, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2253,2254,
&end
#
# 139 ARG HA 142 ARG HD+ 4.00 (# 1579:20 Unique 4.26, 5.18 A)
&rst
ixpk= 1579, nxpk= 20, iat=2191, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2253,2254,
&end
#
# 142 ARG HB+ 142 ARG HD+ 3.00 (# 1580:20 Unique 2.10, 3.21 A)
&rst
ixpk= 1580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2247,2248,
igr2=2253,2254,
&end
#
# 0 AMB 20-2:1581 0 AMB 20-1:1581 3.00 (# 1581:20 Double Ambig)
&rst
ixpk= 1581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2250,2251,2250,2251,
igr2=2253,2254,2253,2254,
&end
#
# 0 AMB 20-2:1582 0 AMB 20-1:1582 3.00 (# 1582:20 Double Ambig)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2174,2175,2290,
igr2=2253,2254,2253,2254,
&end
#
# 0 AMB 20-2:1583 71 ARG HD- 3.00 (# 1583:20 Single Ambig)
&rst
ixpk= 1583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1149,1150,1152,1153,
igr2=1155,1156,
&end
#
# 111 VAL MGY 71 ARG HD- 3.00 (# 1584:20 Unique 1.99, 4.99 A)
&rst
ixpk= 1584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1754,1755,1756,1758,1759,1760,
igr2=1155,1156,
&end
#
# 0 AMB 20-2:1590 0 AMB 20-1:1590 4.00 (# 1590:20 Double Ambig)
&rst
ixpk= 1590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=1947,1948,1949,1951,1952,1953, 52, 53, 54, 56,
57, 58,
igr2=2002,2003,2002,2003,
&end
#
# 76 LEU MDY 76 LEU HB- 3.00 (# 1595:20 Unique 2.05, 3.29 A)
&rst
ixpk= 1595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1228,1229,1230,1232,1233,1234,
igr2=1223,1224,
&end
#
# 0 AMB 20-2:1597 0 AMB 20-1:1597 6.00 (# 1597:20 Double Ambig)
&rst
ixpk= 1597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2314,2304,
igr2=2253,2254,2253,2254,
&end
#
# 71 ARG HA 71 ARG HD- 4.00 (# 1598:20 Unique 3.69, 4.43 A)
&rst
ixpk= 1598, nxpk= 20, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1155,1156,
&end
#
# 38 SER HB- 71 ARG HD- 4.00 (# 1599:20 Unique 2.56, 5.04 A)
&rst
ixpk= 1599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 628, 629,
igr2=1155,1156,
&end
#
# 0 AMB 20-2:1601 126 PHE HB- 4.00 (# 1601:20 Single Ambig)
&rst
ixpk= 1601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1947,1948,1949,1951,1952,1953, 52, 53, 54, 56,
57, 58,
igr2=2002,2003,
&end
#
# 76 LEU MDY 76 LEU HB+ 3.00 (# 1608:20 Unique 2.05, 3.29 A)
&rst
ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1228,1229,1230,1232,1233,1234,
igr2=1223,1224,
&end
#
# 76 LEU HA 76 LEU HB- 6.00 (# 1610:20 Unique 2.20, 2.68 A)
&rst
ixpk= 1610, nxpk= 20, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1223,1224,
&end
#
# 4 ARG HA 4 ARG HD+ 3.00 (# 1612:20 Unique 2.29, 3.61 A)
&rst
ixpk= 1612, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 72, 73,
&end
#
# 4 ARG HB- 4 ARG HD+ 3.00 (# 1613:20 Unique 2.02, 3.07 A)
&rst
ixpk= 1613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 66, 67,
igr2= 72, 73,
&end
#
# 4 ARG HB+ 4 ARG HD+ 3.00 (# 1614:20 Unique 2.02, 3.07 A)
&rst
ixpk= 1614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 66, 67,
igr2= 72, 73,
&end
#
# 4 ARG HG- 4 ARG HD+ 3.00 (# 1615:20 Unique 2.29, 2.76 A)
&rst
ixpk= 1615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 69, 70,
igr2= 72, 73,
&end
#
# 4 ARG HG+ 4 ARG HD+ 3.00 (# 1616:20 Unique 2.29, 2.76 A)
&rst
ixpk= 1616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 69, 70,
igr2= 72, 73,
&end
#
# 4 ARG HA 4 ARG HD- 3.00 (# 1617:20 Unique 2.29, 3.61 A)
&rst
ixpk= 1617, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 72, 73,
&end
#
# 4 ARG HB- 4 ARG HD- 4.00 (# 1618:20 Unique 2.02, 3.07 A)
&rst
ixpk= 1618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 66, 67,
igr2= 72, 73,
&end
#
# 4 ARG HB+ 4 ARG HD- 3.00 (# 1619:20 Unique 2.02, 3.07 A)
&rst
ixpk= 1619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 66, 67,
igr2= 72, 73,
&end
#
# 0 AMB 20-2:1624 75 ASP HB- 6.00 (# 1624:20 Single Ambig)
&rst
ixpk= 1624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1121,1122,1135,1136,
igr2=1211,1212,
&end
#
# 0 AMB 20-2:1630 0 AMB 20-1:1630 3.00 (# 1630:20 Double Ambig)
&rst
ixpk= 1630, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1257,1258, 725, 726,1138,1139,
igr2= 231, 232, 734, 735, 231, 232,
&end
#
# 80 LYS HA 80 LYS HE- 4.00 (# 1632:20 Unique 4.16, 5.49 A)
&rst
ixpk= 1632, nxpk= 20, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1284,1285,
&end
#
# 0 AMB 20-2:1633 80 LYS HE- 4.00 (# 1633:20 Single Ambig)
&rst
ixpk= 1633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 658, 659,1221, 637,
igr2=1284,1285,
&end
#
# 46 GLU HA 45 LYS HE+ 4.00 (# 1634:20 Unique 7.95, 8.71 A)
&rst
ixpk= 1634, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 734, 735,
&end
#
# 0 AMB 20-2:1637 0 AMB 20-1:1637 5.00 (# 1637:20 Double Ambig)
&rst
ixpk= 1637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 557, 558, 559,1536,1537,1538,1540,1541,1542,1836,
1837,1838,1840,1841,1842,
igr2=1850,1851,1211,1212,1850,1851,
&end
#
# 70 PRO HA 75 ASP HB- 3.00 (# 1638:20 Unique 1.92, 2.66 A)
&rst
ixpk= 1638, nxpk= 20, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1211,1212,
&end
#
# 0 AMB 20-2:1640 0 AMB 20-1:1640 3.00 (# 1640:20 Double Ambig)
&rst
ixpk= 1640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1149,1150, 554, 555, 504, 505,
igr2=1211,1212,1850,1851,1850,1851,
&end
#
# 7 MET ME 117 PHE HB+ 3.00 (# 1641:20 Unique 1.98, 3.44 A)
&rst
ixpk= 1641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 128, 129, 130,
igr2=1850,1851,
&end
#
# 0 AMB 20-2:1644 0 AMB 20-1:1644 3.00 (# 1644:20 Double Ambig)
&rst
ixpk= 1644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1275,1276,1719,1720,1223,1224,
igr2=1242,1243,1731,1732,
&end
#
# 102 LEU HG 102 LEU HB- 5.00 (# 1658:20 Unique 2.24, 2.69 A)
&rst
ixpk= 1658, nxpk= 20, iat=1615, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1612,1613,
&end
#
# 102 LEU MDX 102 LEU HB+ 4.00 (# 1661:20 Unique 2.00, 3.35 A)
&rst
ixpk= 1661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1617,1618,1619,1621,1622,1623,
igr2=1612,1613,
&end
#
# 0 AMB 20-2:1664 0 AMB 20-1:1664 5.00 (# 1664:20 Double Ambig)
&rst
ixpk= 1664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 677,1750, 715, 716,
igr2= 734, 735,1731,1732, 734, 735,
&end
#
# 14 LYS HA 14 LYS HE+ 4.00 (# 1666:20 Unique 2.03, 4.28 A)
&rst
ixpk= 1666, nxpk= 20, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 231, 232,
&end
#
# 0 AMB 20-2:1668 0 AMB 20-1:1668 5.00 (# 1668:20 Double Ambig)
&rst
ixpk= 1668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1254,1255,1534,
igr2= 231, 232, 231, 232,
&end
#
# 96 VAL MGX 14 LYS HE+ 3.00 (# 1669:20 Unique 1.93, 4.90 A)
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1536,1537,1538,1540,1541,1542,
igr2= 231, 232,
&end
#
# 39 ILE QD1 80 LYS HE- 3.00 (# 1671:20 Unique 1.95, 4.33 A)
&rst
ixpk= 1671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 648, 649, 650,
igr2=1284,1285,
&end
#
# 80 LYS HD+ 80 LYS HE- 3.00 (# 1673:20 Unique 2.27, 2.70 A)
&rst
ixpk= 1673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1281,1282,
igr2=1284,1285,
&end
#
# 80 LYS HG- 80 LYS HE- 3.00 (# 1674:20 Unique 2.03, 3.37 A)
&rst
ixpk= 1674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1278,1279,
igr2=1284,1285,
&end
#
# 0 AMB 20-2:1675 0 AMB 20-1:1675 3.00 (# 1675:20 Double Ambig)
&rst
ixpk= 1675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1902, 455, 456,
igr2=1891,1892,1891,1892,
&end
#
# 119 LYS HG- 119 LYS HE+ 3.00 (# 1676:20 Unique 1.99, 3.18 A)
&rst
ixpk= 1676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1885,1886,
igr2=1891,1892,
&end
#
# 135 MET HA 138 LYS HE+ 5.00 (# 1677:20 Unique 1.94, 4.06 A)
&rst
ixpk= 1677, nxpk= 20, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2180,2181,
&end
#
# 0 AMB 20-2:1679 0 AMB 20-1:1679 3.00 (# 1679:20 Double Ambig)
&rst
ixpk= 1679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2171,2172,2081,2082,
igr2=2180,2181,2107,2108,
&end
#
# 0 AMB 20-2:1680 0 AMB 20-1:1680 3.00 (# 1680:20 Double Ambig)
&rst
ixpk= 1680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2177,2178,1882,1883,
igr2=2180,2181,1891,1892,
&end
#
# 0 AMB 20-2:1681 0 AMB 20-1:1681 3.00 (# 1681:20 Double Ambig)
&rst
ixpk= 1681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=2174,2175,2104,2105,
igr2=2180,2181,2180,2181,2107,2108,
&end
#
# 80 LYS HB- 77 ASP HB+ 3.00 (# 1682:20 Unique 2.67, 4.47 A)
&rst
ixpk= 1682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1275,1276,
igr2=1242,1243,
&end
#
# 57 LYS HG- 57 LYS HE- 3.00 (# 1684:20 Unique 2.02, 3.55 A)
&rst
ixpk= 1684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 924, 925,
igr2= 930, 931,
&end
#
# 57 LYS HG+ 57 LYS HE- 3.00 (# 1685:20 Unique 2.02, 3.55 A)
&rst
ixpk= 1685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 924, 925,
igr2= 930, 931,
&end
#
# 144 LEU MDX 144 LEU HB+ 3.00 (# 1690:20 Unique 1.94, 3.26 A)
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2292,2293,2294,2296,2297,2298,
igr2=2287,2288,
&end
#
# 26 LEU HA 26 LEU HB+ 6.00 (# 1692:20 Unique 2.20, 2.59 A)
&rst
ixpk= 1692, nxpk= 20, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 419, 420,
&end
#
# 0 AMB 20-2:1693 0 AMB 20-1:1693 3.00 (# 1693:20 Double Ambig)
&rst
ixpk= 1693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 424, 425, 426, 428, 429, 430, 335, 336, 337, 339,
340, 341,
igr2= 419, 420, 419, 420,
&end
#
# 128 ALA MB 110 TYR HB- 3.00 (# 1699:20 Unique 2.03, 4.01 A)
&rst
ixpk= 1699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2039,2040,2041,
igr2=1731,1732,
&end
#
# 0 AMB 20-2:1701 0 AMB 20-1:1701 4.00 (# 1701:20 Double Ambig)
&rst
ixpk= 1701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1=2156,2157,2159,2160,1834,
igr2=2107,2108,2107,2108,2199,2200,
&end
#
# 139 ARG HB+ 139 ARG HD- 3.00 (# 1702:20 Unique 2.15, 3.25 A)
&rst
ixpk= 1702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2193,2194,
igr2=2199,2200,
&end
#
# 116 VAL MGX 139 ARG HD- 5.00 (# 1703:20 Unique 2.85, 6.07 A)
&rst
ixpk= 1703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1836,1837,1838,1840,1841,1842,
igr2=2199,2200,
&end
#
# 0 AMB 20-2:1705 134 LYS HE- 4.00 (# 1705:20 Single Ambig)
&rst
ixpk= 1705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=2156,2157,2159,2160,
igr2=2107,2108,
&end
#
# 0 AMB 20-2:1706 0 AMB 20-1:1706 3.00 (# 1706:20 Double Ambig)
&rst
ixpk= 1706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=2081,2082,2171,2172, 504, 505, 501, 502,2345,2346,
igr2=2107,2108,2199,2200,1870,1871,1870,1871,1870,1871,
&end
#
# 134 LYS HD- 134 LYS HE- 3.00 (# 1707:20 Unique 2.27, 2.73 A)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2104,2105,
igr2=2107,2108,
&end
#
# 141 ASN HA 144 LEU HB+ 3.00 (# 1713:20 Unique 2.29, 3.38 A)
&rst
ixpk= 1713, nxpk= 20, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2287,2288,
&end
#
# 0 AMB 20-2:1714 0 AMB 20-1:1714 3.00 (# 1714:20 Double Ambig)
&rst
ixpk= 1714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 694,2285,2054,2055,
igr2= 696, 697,2287,2288,
&end
#
# 144 LEU MDY 144 LEU HB+ 4.00 (# 1715:20 Unique 1.94, 3.26 A)
&rst
ixpk= 1715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2292,2293,2294,2296,2297,2298,
igr2=2287,2288,
&end
#
# 0 AMB 20-2:1716 0 AMB 20-1:1716 3.00 (# 1716:20 Double Ambig)
&rst
ixpk= 1716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 694,2054,2055,
igr2= 696, 697, 696, 697,
&end
#
# 43 LEU MDY 43 LEU HB+ 3.00 (# 1718:20 Unique 2.12, 3.38 A)
&rst
ixpk= 1718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 701, 702, 703, 705, 706, 707,
igr2= 696, 697,
&end
#
# 144 LEU HA 144 LEU HB- 3.00 (# 1719:20 Unique 2.43, 2.76 A)
&rst
ixpk= 1719, nxpk= 20, iat=2285, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2287,2288,
&end
#
# 141 ASN HA 144 LEU HB- 4.00 (# 1720:20 Unique 2.29, 3.38 A)
&rst
ixpk= 1720, nxpk= 20, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2287,2288,
&end
#
# 144 LEU MDY 144 LEU HB- 3.00 (# 1721:20 Unique 1.94, 3.26 A)
&rst
ixpk= 1721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2292,2293,2294,2296,2297,2298,
igr2=2287,2288,
&end
#
# 118 ASP HA 118 ASP HB- 4.00 (# 1722:20 Unique 2.31, 2.73 A)
&rst
ixpk= 1722, nxpk= 20, iat=1868, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1870,1871,
&end
#
# 123 LEU MDY 115 TYR HB- 4.00 (# 1724:20 Unique 1.94, 4.09 A)
&rst
ixpk= 1724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1947,1948,1949,1951,1952,1953,
igr2=1813,1814,
&end
#
# 0 AMB 20-2:1725 0 AMB 20-1:1725 4.00 (# 1725:20 Double Ambig)
&rst
ixpk= 1725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2156,2157, 548,
igr2=2107,2108,1813,1814,
&end
#
# 34 ILE QD1 115 TYR HB+ 6.00 (# 1726:20 Unique 2.74, 5.40 A)
&rst
ixpk= 1726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 557, 558, 559,
igr2=1813,1814,
&end
#
# 123 LEU MDY 115 TYR HB+ 4.00 (# 1728:20 Unique 1.94, 4.09 A)
&rst
ixpk= 1728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1947,1948,1949,1951,1952,1953,
igr2=1813,1814,
&end
#
# 139 ARG HA 139 ARG HD- 3.00 (# 1729:20 Unique 1.98, 2.99 A)
&rst
ixpk= 1729, nxpk= 20, iat=2191, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2199,2200,
&end
#
# 0 AMB 20-2:1731 0 AMB 20-1:1731 5.00 (# 1731:20 Double Ambig)
&rst
ixpk= 1731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=2104,2105,2196,2197,
igr2=2107,2108,2199,2200,
&end
#
# 139 ARG HA 139 ARG HD+ 3.00 (# 1732:20 Unique 1.98, 2.99 A)
&rst
ixpk= 1732, nxpk= 20, iat=2191, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2199,2200,
&end
#
# 0 AMB 20-2:1733 0 AMB 20-1:1733 4.00 (# 1733:20 Double Ambig)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1906,1907,1908,2193,2194,
igr2=1870,1871,2199,2200,
&end
#
# 0 AMB 20-2:1734 0 AMB 20-1:1734 4.00 (# 1734:20 Double Ambig)
&rst
ixpk= 1734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2104,2105,2196,2197,
igr2=2107,2108,2199,2200,
&end
#
# 0 AMB 20-2:1737 0 AMB 20-1:1737 3.00 (# 1737:20 Double Ambig)
&rst
ixpk= 1737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 701, 702, 703, 705, 706, 707, 52, 53, 54, 56,
57, 58,
igr2= 696, 697, 47, 48,
&end
#
# 3 LEU HA 3 LEU HB+ 4.00 (# 1738:20 Unique 2.23, 2.71 A)
&rst
ixpk= 1738, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 47, 48,
&end
#
# 3 LEU MDX 3 LEU HB- 3.00 (# 1740:20 Unique 2.18, 3.31 A)
&rst
ixpk= 1740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 52, 53, 54, 56, 57, 58,
igr2= 47, 48,
&end
#
# 0 AMB 20-2:1741 0 AMB 20-1:1741 3.00 (# 1741:20 Double Ambig)
&rst
ixpk= 1741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2292,2293,2294,2296,2297,2298, 52, 53, 54, 56,
57, 58,
igr2=2287,2288, 47, 48,
&end
#
# 3 LEU HA 3 LEU HB- 3.00 (# 1742:20 Unique 2.23, 2.71 A)
&rst
ixpk= 1742, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 47, 48,
&end
#
# 106 PHE HB+ 108 ASN HB+ 5.00 (# 1755:20 Unique 5.39, 7.12 A)
&rst
ixpk= 1755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1667,1668,
igr2=1702,1703,
&end
#
# 0 AMB 20-2:1756 0 AMB 20-1:1756 5.00 (# 1756:20 Double Ambig)
&rst
ixpk= 1756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1667,1668,1573,1574,
igr2=1702,1703,1702,1703,
&end
#
# 123 LEU HG 123 LEU HB- 6.00 (# 1758:20 Unique 2.24, 2.69 A)
&rst
ixpk= 1758, nxpk= 20, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1942,1943,
&end
#
# 0 AMB 20-2:1759 123 LEU HB- 4.00 (# 1759:20 Single Ambig)
&rst
ixpk= 1759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1947,1948,1949,1951,1952,1953, 52, 53, 54, 56,
57, 58,
igr2=1942,1943,
&end
#
# 123 LEU MDY 123 LEU HB- 5.00 (# 1760:20 Unique 2.03, 3.35 A)
&rst
ixpk= 1760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1947,1948,1949,1951,1952,1953,
igr2=1942,1943,
&end
#
# 60 ASP HA 60 ASP HB+ 3.00 (# 1762:20 Unique 2.35, 2.86 A)
&rst
ixpk= 1762, nxpk= 20, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 981, 982,
&end
#
# 60 ASP HA 60 ASP HB- 3.00 (# 1764:20 Unique 2.35, 2.86 A)
&rst
ixpk= 1764, nxpk= 20, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 981, 982,
&end
#
# 74 ASP HA 74 ASP HB+ 3.00 (# 1767:20 Unique 2.39, 2.81 A)
&rst
ixpk= 1767, nxpk= 20, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1199,1200,
&end
#
# 74 ASP HA 74 ASP HB- 3.00 (# 1768:20 Unique 2.39, 2.81 A)
&rst
ixpk= 1768, nxpk= 20, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1199,1200,
&end
#
# 108 ASN HA 108 ASN HB- 6.00 (# 1772:20 Unique 2.38, 2.81 A)
&rst
ixpk= 1772, nxpk= 20, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1702,1703,
&end
#
# 32 THR MG2 63 ASN HB- 5.00 (# 1774:20 Unique 1.96, 3.64 A)
&rst
ixpk= 1774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 517, 518, 519,
igr2=1029,1030,
&end
#
# 61 GLN HG- 60 ASP HB+ 5.00 (# 1775:20 Unique 2.29, 4.29 A)
&rst
ixpk= 1775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 996, 997,
igr2= 981, 982,
&end
#
# 61 GLN HG- 60 ASP HB- 6.00 (# 1776:20 Unique 2.29, 4.29 A)
&rst
ixpk= 1776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 996, 997,
igr2= 981, 982,
&end
#
# 32 THR MG2 63 ASN HB+ 5.00 (# 1777:20 Unique 1.96, 3.64 A)
&rst
ixpk= 1777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 517, 518, 519,
igr2=1029,1030,
&end
#
# 136 LEU MDY 136 LEU HB- 4.00 (# 1778:20 Unique 2.18, 3.43 A)
&rst
ixpk= 1778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2142,2143,2144,2146,2147,2148,
igr2=2137,2138,
&end
#
# 136 LEU MDY 136 LEU HB+ 4.00 (# 1780:20 Unique 2.18, 3.43 A)
&rst
ixpk= 1780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2142,2143,2144,2146,2147,2148,
igr2=2137,2138,
&end
#
# 136 LEU MDX 136 LEU HB+ 5.00 (# 1782:20 Unique 2.18, 3.43 A)
&rst
ixpk= 1782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2142,2143,2144,2146,2147,2148,
igr2=2137,2138,
&end
#
# 26 LEU MDX 63 ASN HB- 5.00 (# 1783:20 Unique 1.97, 4.34 A)
&rst
ixpk= 1783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 424, 425, 426, 428, 429, 430,
igr2=1029,1030,
&end
#
# 124 ARG HG+ 124 ARG HD- 6.00 (# 1784:20 Unique 2.27, 2.75 A)
&rst
ixpk= 1784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1964,1965,
igr2=1967,1968,
&end
#
# 26 LEU MDX 63 ASN HB+ 4.00 (# 1789:20 Unique 1.97, 4.34 A)
&rst
ixpk= 1789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 424, 425, 426, 428, 429, 430,
igr2=1029,1030,
&end
#
# 0 AMB 20-2:1790 0 AMB 20-1:1790 4.00 (# 1790:20 Double Ambig)
&rst
ixpk= 1790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr1= 554, 555, 188, 189, 190, 318, 319, 138, 139,
igr2= 167, 168, 167, 168, 167, 168, 167, 168,
&end
#
# 0 AMB 20-2:1794 0 AMB 20-1:1794 5.00 (# 1794:20 Double Ambig)
&rst
ixpk= 1794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50,
igr1= 107, 108, 107, 108, 504, 505, 501, 502,
igr2=1967,1968,1967,1968,1967,1968,1967,1968,
&end
#
# 53 GLU HA 56 ASP HB- 5.00 (# 1796:20 Unique 2.39, 3.94 A)
&rst
ixpk= 1796, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 909, 910,
&end
#
# 0 AMB 20-2:1797 0 AMB 20-1:1797 5.00 (# 1797:20 Double Ambig)
&rst
ixpk= 1797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr1= 15, 16, 17,1657,1658,1659, 885, 886, 921, 922,
igr2=1667,1668,1667,1668, 909, 910,1645,1646,
&end
#
# 0 AMB 20-2:1798 0 AMB 20-1:1798 6.00 (# 1798:20 Double Ambig)
&rst
ixpk= 1798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1665, 6,
igr2=1667,1668,1667,1668,
&end
#
# 115 TYR HB- 34 ILE HB 6.00 (# 1801:20 Unique 2.69, 4.04 A)
&rst
ixpk= 1801, nxpk= 20, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1813,1814,
&end
#
# 115 TYR HB+ 34 ILE HB 5.00 (# 1802:20 Unique 2.69, 4.04 A)
&rst
ixpk= 1802, nxpk= 20, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1813,1814,
&end
#
# 27 ILE HA 27 ILE HB 4.00 (# 1804:20 Unique 3.00, 3.01 A)
&rst
ixpk= 1804, nxpk= 20, iat= 436, 438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 ILE HG1- 27 ILE HB 3.00 (# 1805:20 Unique 2.39, 2.75 A)
&rst
ixpk= 1805, nxpk= 20, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 444, 445,
&end
#
# 27 ILE QG2 27 ILE HB 3.00 (# 1806:20 Unique 2.22, 2.64 A)
&rst
ixpk= 1806, nxpk= 20, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 440, 441, 442,
&end
#
# 27 ILE HG1+ 27 ILE HB 4.00 (# 1808:20 Unique 2.39, 2.75 A)
&rst
ixpk= 1808, nxpk= 20, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 444, 445,
&end
#
# 10 LEU MDX 10 LEU HB- 4.00 (# 1809:20 Unique 1.98, 3.46 A)
&rst
ixpk= 1809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 172, 173, 174, 176, 177, 178,
igr2= 167, 168,
&end
#
# 0 AMB 20-2:1812 89 ASP HB- 3.00 (# 1812:20 Single Ambig)
&rst
ixpk= 1812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1417, 834,
igr2=1419,1420,
&end
#
# 101 ALA HA 104 ASP HB- 4.00 (# 1813:20 Unique 2.50, 4.11 A)
&rst
ixpk= 1813, nxpk= 20, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1645,1646,
&end
#
# 104 ASP HA 104 ASP HB+ 3.00 (# 1815:20 Unique 2.51, 2.81 A)
&rst
ixpk= 1815, nxpk= 20, iat=1643, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1645,1646,
&end
#
# 101 ALA HA 104 ASP HB+ 4.00 (# 1817:20 Unique 2.50, 4.11 A)
&rst
ixpk= 1817, nxpk= 20, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1645,1646,
&end
#
# 0 AMB 20-2:1819 0 AMB 20-1:1819 3.00 (# 1819:20 Double Ambig)
&rst
ixpk= 1819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1417, 834,
igr2=1419,1420,1419,1420,
&end
#
# 34 ILE HG1+ 34 ILE HB 4.00 (# 1821:20 Unique 2.49, 2.79 A)
&rst
ixpk= 1821, nxpk= 20, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 554, 555,
&end
#
# 34 ILE QG2 34 ILE HB 3.00 (# 1822:20 Unique 2.21, 2.64 A)
&rst
ixpk= 1822, nxpk= 20, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 550, 551, 552,
&end
#
# 0 AMB 20-2:1823 0 AMB 20-1:1823 3.00 (# 1823:20 Double Ambig)
&rst
ixpk= 1823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 557, 558, 559, 172, 173, 174, 176, 177, 178,
igr2= 548, 167, 168,
&end
#
# 0 AMB 20-2:1824 104 ASP HB- 5.00 (# 1824:20 Single Ambig)
&rst
ixpk= 1824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=1657,1658,1659, 141, 142,
igr2=1645,1646,
&end
#
# 39 ILE HA 39 ILE HB 3.00 (# 1834:20 Unique 2.24, 2.30 A)
&rst
ixpk= 1834, nxpk= 20, iat= 637, 639, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1835 39 ILE HB 3.00 (# 1835:20 Single Ambig)
&rst
ixpk= 1835, nxpk= 20, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1355,1356,1357, 645, 646,
&end
#
# 39 ILE HG1+ 39 ILE HB 5.00 (# 1836:20 Unique 2.37, 2.76 A)
&rst
ixpk= 1836, nxpk= 20, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 645, 646,
&end
#
# 39 ILE QG2 39 ILE HB 3.00 (# 1837:20 Unique 2.22, 2.64 A)
&rst
ixpk= 1837, nxpk= 20, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 641, 642, 643,
&end
#
# 39 ILE QD1 39 ILE HB 3.00 (# 1838:20 Unique 2.28, 3.06 A)
&rst
ixpk= 1838, nxpk= 20, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 648, 649, 650,
&end
#
# 141 ASN HA 141 ASN HB- 3.00 (# 1850:20 Unique 2.35, 2.70 A)
&rst
ixpk= 1850, nxpk= 20, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2233,2234,
&end
#
# 62 LEU MDY 58 TYR HB- 6.00 (# 1851:20 Unique 1.92, 4.72 A)
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1015,1016,1017,1019,1020,1021,
igr2= 943, 944,
&end
#
# 138 LYS HA 141 ASN HB- 4.00 (# 1852:20 Unique 2.91, 4.39 A)
&rst
ixpk= 1852, nxpk= 20, iat=2169, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2233,2234,
&end
#
# 0 AMB 20-2:1855 0 AMB 20-1:1855 5.00 (# 1855:20 Double Ambig)
&rst
ixpk= 1855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1015,1016,1017,1019,1020,1021,2219,2220,2221,2223,
2224,2225,
igr2= 943, 944, 943, 944,
&end
#
# 141 ASN HA 141 ASN HB+ 3.00 (# 1856:20 Unique 2.35, 2.70 A)
&rst
ixpk= 1856, nxpk= 20, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2233,2234,
&end
#
# 0 AMB 20-2:1857 0 AMB 20-1:1857 4.00 (# 1857:20 Double Ambig)
&rst
ixpk= 1857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1010,1011, 993, 994,
igr2= 943, 944, 943, 944,
&end
#
# 138 LYS HA 141 ASN HB+ 4.00 (# 1858:20 Unique 2.91, 4.39 A)
&rst
ixpk= 1858, nxpk= 20, iat=2169, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2233,2234,
&end
#
# 81 ILE HG1+ 81 ILE HB 4.00 (# 1860:20 Unique 2.47, 2.82 A)
&rst
ixpk= 1860, nxpk= 20, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1303,1304,
&end
#
# 81 ILE QG2 81 ILE HB 3.00 (# 1861:20 Unique 2.22, 2.64 A)
&rst
ixpk= 1861, nxpk= 20, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1299,1300,1301,
&end
#
# 81 ILE QD1 81 ILE HB 4.00 (# 1862:20 Unique 1.98, 2.88 A)
&rst
ixpk= 1862, nxpk= 20, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1306,1307,1308,
&end
#
# 54 PHE HA 54 PHE HB- 4.00 (# 1865:20 Unique 2.42, 2.83 A)
&rst
ixpk= 1865, nxpk= 20, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 865, 866,
&end
#
# 0 AMB 20-2:1868 58 TYR HB- 4.00 (# 1868:20 Single Ambig)
&rst
ixpk= 1868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1010,1011, 993, 994,
igr2= 943, 944,
&end
#
# 54 PHE HA 54 PHE HB+ 4.00 (# 1869:20 Unique 2.42, 2.83 A)
&rst
ixpk= 1869, nxpk= 20, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 865, 866,
&end
#
# 0 AMB 20-2:1871 0 AMB 20-1:1871 5.00 (# 1871:20 Double Ambig)
&rst
ixpk= 1871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
igr1= 924, 925,2219,2220,2221,2223,2224,2225,
igr2= 865, 866, 865, 866,
&end
#
# 78 PRO HA 81 ILE HB 4.00 (# 1872:20 Unique 2.24, 2.50 A)
&rst
ixpk= 1872, nxpk= 20, iat=1260,1297, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1873 81 ILE HB 6.00 (# 1873:20 Single Ambig)
&rst
ixpk= 1873, nxpk= 20, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 283, 284, 285, 287, 288, 289,1536,1537,1538,1540,
1541,1542,
&end
#
# 24 GLU HA 24 GLU HG- 3.00 (# 1875:20 Unique 3.54, 3.79 A)
&rst
ixpk= 1875, nxpk= 20, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 390, 391,
&end
#
# 0 AMB 20-2:1879 0 AMB 20-1:1879 3.00 (# 1879:20 Double Ambig)
&rst
ixpk= 1879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 834, 795,
igr2= 836, 837, 836, 837,
&end
#
# 24 GLU HB+ 24 GLU HG- 3.00 (# 1880:20 Unique 2.26, 2.75 A)
&rst
ixpk= 1880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 387, 388,
igr2= 390, 391,
&end
#
# 18 ASN HA 18 ASN HB+ 3.00 (# 1884:20 Unique 2.32, 2.78 A)
&rst
ixpk= 1884, nxpk= 20, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 297, 298,
&end
#
# 146 GLU HA 146 GLU HG- 4.00 (# 1886:20 Unique 2.24, 3.41 A)
&rst
ixpk= 1886, nxpk= 20, iat=2314, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2319,2320,
&end
#
# 146 GLU HB- 146 GLU HG- 3.00 (# 1888:20 Unique 2.28, 2.69 A)
&rst
ixpk= 1888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2316,2317,
igr2=2319,2320,
&end
#
# 57 LYS HE- 53 GLU HG+ 3.00 (# 1889:20 Unique 1.94, 5.35 A)
&rst
ixpk= 1889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 930, 931,
igr2= 853, 854,
&end
#
# 148 GLU HB- 148 GLU HG+ 3.00 (# 1891:20 Unique 2.27, 2.71 A)
&rst
ixpk= 1891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2345,2346,
igr2=2348,2349,
&end
#
# 18 ASN HA 18 ASN HB- 6.00 (# 1894:20 Unique 2.32, 2.78 A)
&rst
ixpk= 1894, nxpk= 20, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 297, 298,
&end
#
# 143 VAL HA 146 GLU HG- 4.00 (# 1895:20 Unique 1.98, 2.94 A)
&rst
ixpk= 1895, nxpk= 20, iat=2269, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2319,2320,
&end
#
# 53 GLU HA 53 GLU HG+ 3.00 (# 1897:20 Unique 2.95, 3.66 A)
&rst
ixpk= 1897, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 853, 854,
&end
#
# 146 GLU HA 146 GLU HG+ 3.00 (# 1899:20 Unique 2.24, 3.41 A)
&rst
ixpk= 1899, nxpk= 20, iat=2314, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2319,2320,
&end
#
# 9 GLU HA 9 GLU HG+ 4.00 (# 1900:20 Unique 2.04, 3.01 A)
&rst
ixpk= 1900, nxpk= 20, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 155, 156,
&end
#
# 0 AMB 20-2:1903 0 AMB 20-1:1903 4.00 (# 1903:20 Double Ambig)
&rst
ixpk= 1903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 479, 480, 141, 142,1657,1658,1659,
igr2= 467, 468, 155, 156, 155, 156,
&end
#
# 119 LYS HD+ 29 GLU HG- 3.00 (# 1905:20 Unique 2.57, 4.63 A)
&rst
ixpk= 1905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1888,1889,
igr2= 467, 468,
&end
#
# 119 LYS HD- 29 GLU HG- 4.00 (# 1906:20 Unique 2.57, 4.63 A)
&rst
ixpk= 1906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1888,1889,
igr2= 467, 468,
&end
#
# 46 GLU HA 46 GLU HG- 3.00 (# 1908:20 Unique 2.56, 3.24 A)
&rst
ixpk= 1908, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 750, 751,
&end
#
# 148 GLU HA 148 GLU HG+ 3.00 (# 1909:20 Unique 1.98, 3.03 A)
&rst
ixpk= 1909, nxpk= 20, iat=2343, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2348,2349,
&end
#
# 46 GLU HA 46 GLU HG+ 3.00 (# 1910:20 Unique 2.56, 3.24 A)
&rst
ixpk= 1910, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 750, 751,
&end
#
# 0 AMB 20-2:1911 0 AMB 20-1:1911 3.00 (# 1911:20 Double Ambig)
&rst
ixpk= 1911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 848,2118,
igr2= 853, 854,2159,2160,
&end
#
# 53 GLU HB+ 53 GLU HG- 3.00 (# 1912:20 Unique 2.34, 2.78 A)
&rst
ixpk= 1912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 850, 851,
igr2= 853, 854,
&end
#
# 0 AMB 20-2:1915 65 VAL HB 4.00 (# 1915:20 Single Ambig)
&rst
ixpk= 1915, nxpk= 20, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 554, 555, 517, 518, 519,1045,1046,1047,1049,1050,
1051,
&end
#
# 65 VAL MGX 65 VAL HB 3.00 (# 1916:20 Unique 2.23, 2.65 A)
&rst
ixpk= 1916, nxpk= 20, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1061,1062,1063,1065,1066,1067,
&end
#
# 65 VAL HA 65 VAL HB 5.00 (# 1917:20 Unique 2.25, 2.31 A)
&rst
ixpk= 1917, nxpk= 20, iat=1057,1059, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 ILE QG2 65 VAL HB 5.00 (# 1918:20 Unique 3.85, 4.94 A)
&rst
ixpk= 1918, nxpk= 20, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 550, 551, 552,
&end
#
# 107 GLU HB+ 109 GLU HG- 3.00 (# 1919:20 Unique 3.85, 6.69 A)
&rst
ixpk= 1919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1687,1688,
igr2=1719,1720,
&end
#
# 30 LYS HE+ 29 GLU HG- 4.00 (# 1927:20 Unique 1.96, 5.27 A)
&rst
ixpk= 1927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 488, 489,
igr2= 467, 468,
&end
#
# 0 AMB 20-2:1928 0 AMB 20-1:1928 4.00 (# 1928:20 Double Ambig)
&rst
ixpk= 1928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 188, 189, 190, 138, 139,
igr2= 155, 156, 155, 156,
&end
#
# 30 LYS HE+ 29 GLU HG- 3.00 (# 1930:20 Unique 1.96, 5.27 A)
&rst
ixpk= 1930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 488, 489,
igr2= 467, 468,
&end
#
# 29 GLU HA 29 GLU HG- 3.00 (# 1931:20 Unique 2.20, 3.08 A)
&rst
ixpk= 1931, nxpk= 20, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 467, 468,
&end
#
# 30 LYS HG+ 29 GLU HG- 5.00 (# 1932:20 Unique 2.00, 3.82 A)
&rst
ixpk= 1932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 482, 483,
igr2= 467, 468,
&end
#
# 0 AMB 20-2:1934 9 GLU HG- 4.00 (# 1934:20 Single Ambig)
&rst
ixpk= 1934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 188, 189, 190, 138, 139,
igr2= 155, 156,
&end
#
# 43 LEU MDX 46 GLU HG- 5.00 (# 1936:20 Unique 2.62, 5.79 A)
&rst
ixpk= 1936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 701, 702, 703, 705, 706, 707,
igr2= 750, 751,
&end
#
# 137 GLU HA 137 GLU HG- 3.00 (# 1940:20 Unique 2.15, 2.87 A)
&rst
ixpk= 1940, nxpk= 20, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2159,2160,
&end
#
# 30 LYS HG+ 29 GLU HG+ 4.00 (# 1941:20 Unique 2.00, 3.82 A)
&rst
ixpk= 1941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 482, 483,
igr2= 467, 468,
&end
#
# 29 GLU HA 29 GLU HG+ 3.00 (# 1942:20 Unique 2.20, 3.08 A)
&rst
ixpk= 1942, nxpk= 20, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 467, 468,
&end
#
# 137 GLU HA 137 GLU HG+ 4.00 (# 1943:20 Unique 2.15, 2.87 A)
&rst
ixpk= 1943, nxpk= 20, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2159,2160,
&end
#
# 109 GLU HA 109 GLU HG- 3.00 (# 1946:20 Unique 2.00, 2.72 A)
&rst
ixpk= 1946, nxpk= 20, iat=1714, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1719,1720,
&end
#
# 109 GLU HB- 109 GLU HG- 3.00 (# 1949:20 Unique 2.27, 2.75 A)
&rst
ixpk= 1949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1716,1717,
igr2=1719,1720,
&end
#
# 69 MET HG+ 69 MET HB+ 4.00 (# 1950:20 Unique 2.27, 2.68 A)
&rst
ixpk= 1950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1121,1122,
igr2=1118,1119,
&end
#
# 0 AMB 20-2:1951 0 AMB 20-1:1951 5.00 (# 1951:20 Double Ambig)
&rst
ixpk= 1951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.66, r4= 9.16,
igr1=1754,1755,1756,1758,1759,1760,1504,1505,1506,
igr2=1118,1119,1431,
&end
#
# 0 AMB 20-2:1952 0 AMB 20-1:1952 4.00 (# 1952:20 Double Ambig)
&rst
ixpk= 1952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1754,1755,1756,1758,1759,1760, 822, 823, 824, 826,
827, 828,
igr2=1118,1119,1431,
&end
#
# 90 ILE QD1 90 ILE HB 4.00 (# 1954:20 Unique 2.19, 3.22 A)
&rst
ixpk= 1954, nxpk= 20, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1440,1441,1442,
&end
#
# 109 GLU HA 109 GLU HG+ 3.00 (# 1957:20 Unique 2.00, 2.72 A)
&rst
ixpk= 1957, nxpk= 20, iat=1714, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1719,1720,
&end
#
# 0 AMB 20-2:1966 0 AMB 20-1:1966 5.00 (# 1966:20 Double Ambig)
&rst
ixpk= 1966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.72, r4=10.22,
igr1= 762, 763, 764,1377,1378,1379,1355,1356,1357,
igr2= 806, 807,1390,1391,1390,1391,
&end
#
# 84 THR HA 87 GLU HG- 4.00 (# 1968:20 Unique 3.27, 4.43 A)
&rst
ixpk= 1968, nxpk= 20, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1390,1391,
&end
#
# 90 ILE HA 90 ILE HB 4.00 (# 1970:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1970, nxpk= 20, iat=1429,1431, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 90 ILE QG2 90 ILE HB 4.00 (# 1972:20 Unique 2.21, 2.64 A)
&rst
ixpk= 1972, nxpk= 20, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1433,1434,1435,
&end
#
# 109 GLU HB- 109 GLU HG+ 3.00 (# 1973:20 Unique 2.27, 2.75 A)
&rst
ixpk= 1973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1716,1717,
igr2=1719,1720,
&end
#
# 0 AMB 20-2:1978 0 AMB 20-1:1978 3.00 (# 1978:20 Double Ambig)
&rst
ixpk= 1978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 801,1385,
igr2= 806, 807,1390,1391,
&end
#
# 50 GLN HA 50 GLN HG+ 3.00 (# 1979:20 Unique 2.04, 2.93 A)
&rst
ixpk= 1979, nxpk= 20, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 806, 807,
&end
#
# 87 GLU HA 87 GLU HG- 3.00 (# 1980:20 Unique 2.25, 2.90 A)
&rst
ixpk= 1980, nxpk= 20, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1390,1391,
&end
#
# 31 PRO HD+ 30 LYS HB+ 4.00 (# 1981:20 Unique 1.85, 3.14 A)
&rst
ixpk= 1981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 498, 499,
igr2= 479, 480,
&end
#
# 0 AMB 20-2:1982 0 AMB 20-1:1982 4.00 (# 1982:20 Double Ambig)
&rst
ixpk= 1982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 402, 403, 467, 468,
igr2= 333, 479, 480,
&end
#
# 21 VAL MGX 21 VAL HB 3.00 (# 1983:20 Unique 2.23, 2.65 A)
&rst
ixpk= 1983, nxpk= 20, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 335, 336, 337, 339, 340, 341,
&end
#
# 0 AMB 20-2:1985 0 AMB 20-1:1985 3.00 (# 1985:20 Double Ambig)
&rst
ixpk= 1985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 11, 12, 11, 12, 93, 94,
igr2= 8, 9, 8, 9, 8, 9,
&end
#
# 31 PRO HD- 30 LYS HB+ 4.00 (# 1986:20 Unique 1.85, 3.14 A)
&rst
ixpk= 1986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 498, 499,
igr2= 479, 480,
&end
#
# 37 TRP HB- 112 PRO HB+ 5.00 (# 1987:20 Unique 3.27, 5.05 A)
&rst
ixpk= 1987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 604, 605,
igr2=1771,1772,
&end
#
# 0 AMB 20-2:1990 0 AMB 20-1:1990 3.00 (# 1990:20 Double Ambig)
&rst
ixpk= 1990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 485, 486, 482, 483,
igr2= 479, 480, 479, 480,
&end
#
# 37 TRP HB- 112 PRO HB+ 6.00 (# 1991:20 Unique 3.27, 5.05 A)
&rst
ixpk= 1991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 604, 605,
igr2=1771,1772,
&end
#
# 0 AMB 20-2:1992 1 MET HB- 4.00 (# 1992:20 Single Ambig)
&rst
ixpk= 1992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 6,1665,
igr2= 8, 9,
&end
#
# 21 VAL HA 21 VAL HB 3.00 (# 1993:20 Unique 2.29, 2.50 A)
&rst
ixpk= 1993, nxpk= 20, iat= 331, 333, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1994 20 GLU HG- 4.00 (# 1994:20 Single Ambig)
&rst
ixpk= 1994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1514,1515, 254, 255,
igr2= 321, 322,
&end
#
# 20 GLU HB- 20 GLU HG- 3.00 (# 1995:20 Unique 2.26, 2.68 A)
&rst
ixpk= 1995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 318, 319,
igr2= 321, 322,
&end
#
# 0 AMB 20-2:1998 112 PRO HB- 4.00 (# 1998:20 Single Ambig)
&rst
ixpk= 1998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2081,2082,1149,1150,2022,2023,
igr2=1771,1772,
&end
#
# 0 AMB 20-2:2000 0 AMB 20-1:2000 3.00 (# 2000:20 Double Ambig)
&rst
ixpk= 2000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1750, 715, 716,
igr2=1752,1771,1772,
&end
#
# 0 AMB 20-2:2001 0 AMB 20-1:2001 3.00 (# 2001:20 Double Ambig)
&rst
ixpk= 2001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1947,1948,1949,1951,1952,1953,1754,1755,1756,1758,
1759,1760,
igr2= 8, 9,1752,
&end
#
# 0 AMB 20-2:2002 1 MET HB- 3.00 (# 2002:20 Single Ambig)
&rst
ixpk= 2002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 11, 12, 11, 12, 93, 94,
igr2= 8, 9,
&end
#
# 0 AMB 20-2:2004 0 AMB 20-1:2004 6.00 (# 2004:20 Double Ambig)
&rst
ixpk= 2004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 107, 108, 107, 108, 554, 555,
igr2= 121, 122, 121, 122, 121, 122,
&end
#
# 0 AMB 20-2:2006 0 AMB 20-1:2006 4.00 (# 2006:20 Double Ambig)
&rst
ixpk= 2006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1=1514,1515, 254, 255, 316,
igr2= 321, 322, 321, 322, 321, 322,
&end
#
# 0 AMB 20-2:2007 0 AMB 20-1:2007 5.00 (# 2007:20 Double Ambig)
&rst
ixpk= 2007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1514,1515, 363, 364,
igr2= 321, 322, 121, 122,
&end
#
# 20 GLU HB- 20 GLU HG+ 3.00 (# 2008:20 Unique 2.26, 2.68 A)
&rst
ixpk= 2008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 318, 319,
igr2= 321, 322,
&end
#
# 61 GLN HA 61 GLN HG+ 3.00 (# 2016:20 Unique 2.25, 2.71 A)
&rst
ixpk= 2016, nxpk= 20, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 996, 997,
&end
#
# 0 AMB 20-2:2017 0 AMB 20-1:2017 6.00 (# 2017:20 Double Ambig)
&rst
ixpk= 2017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1940, 64,
igr2=1928,1929,1928,1929,
&end
#
# 60 ASP HB- 61 GLN HG+ 6.00 (# 2021:20 Unique 2.29, 4.29 A)
&rst
ixpk= 2021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 981, 982,
igr2= 996, 997,
&end
#
# 61 GLN HB- 61 GLN HG+ 3.00 (# 2022:20 Unique 2.27, 2.77 A)
&rst
ixpk= 2022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 993, 994,
igr2= 996, 997,
&end
#
# 0 AMB 20-2:2023 0 AMB 20-1:2023 4.00 (# 2023:20 Double Ambig)
&rst
ixpk= 2023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=2292,2293,2294,2296,2297,2298,1015,1016,1017,1019,
1020,1021,
igr2= 996, 997, 996, 997,
&end
#
# 0 AMB 20-2:2026 122 GLN HG- 3.00 (# 2026:20 Single Ambig)
&rst
ixpk= 2026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1964,1965,1925,1926,
igr2=1928,1929,
&end
#
# 61 GLN HA 61 GLN HG- 4.00 (# 2027:20 Unique 2.25, 2.71 A)
&rst
ixpk= 2027, nxpk= 20, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 996, 997,
&end
#
# 0 AMB 20-2:2028 0 AMB 20-1:2028 3.00 (# 2028:20 Double Ambig)
&rst
ixpk= 2028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 993, 994, 107, 108, 107, 108,
igr2= 996, 997,1928,1929,
&end
#
# 0 AMB 20-2:2031 0 AMB 20-1:2031 3.00 (# 2031:20 Double Ambig)
&rst
ixpk= 2031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 885, 886,1964,1965,1925,1926,
igr2=1043,1928,1929,1928,1929,
&end
#
# 64 VAL MGY 64 VAL HB 3.00 (# 2032:20 Unique 2.23, 2.65 A)
&rst
ixpk= 2032, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1045,1046,1047,1049,1050,1051,
&end
#
# 64 VAL MGX 64 VAL HB 3.00 (# 2033:20 Unique 2.23, 2.65 A)
&rst
ixpk= 2033, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1045,1046,1047,1049,1050,1051,
&end
#
# 2 LYS HG- 2 LYS HB+ 3.00 (# 2035:20 Unique 2.27, 2.73 A)
&rst
ixpk= 2035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 28, 29,
igr2= 25, 26,
&end
#
# 2 LYS HA 2 LYS HB- 3.00 (# 2038:20 Unique 2.27, 2.54 A)
&rst
ixpk= 2038, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 25, 26,
&end
#
# 5 GLN HG+ 2 LYS HB- 5.00 (# 2040:20 Unique 2.52, 5.00 A)
&rst
ixpk= 2040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 93, 94,
igr2= 25, 26,
&end
#
# 0 AMB 20-2:2047 0 AMB 20-1:2047 3.00 (# 2047:20 Double Ambig)
&rst
ixpk= 2047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 90, 91, 66, 67,
igr2= 93, 94, 93, 94,
&end
#
# 0 AMB 20-2:2048 0 AMB 20-1:2048 3.00 (# 2048:20 Double Ambig)
&rst
ixpk= 2048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 69, 70, 25, 26,
igr2= 93, 94, 93, 94,
&end
#
# 116 VAL HB 125 HIS HB- 4.00 (# 2052:20 Unique 2.69, 4.39 A)
&rst
ixpk= 2052, nxpk= 20, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1985,1986,
&end
#
# 0 AMB 20-2:2053 125 HIS HB- 4.00 (# 2053:20 Single Ambig)
&rst
ixpk= 2053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
1841,1842,
igr2=1985,1986,
&end
#
# 0 AMB 20-2:2054 0 AMB 20-1:2054 3.00 (# 2054:20 Double Ambig)
&rst
ixpk= 2054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 88, 23,
igr2= 93, 94, 93, 94,
&end
#
# 6 PRO HD+ 5 GLN HG+ 3.00 (# 2055:20 Unique 4.24, 5.58 A)
&rst
ixpk= 2055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 104, 105,
igr2= 93, 94,
&end
#
# 6 PRO HD- 5 GLN HG+ 3.00 (# 2056:20 Unique 4.24, 5.58 A)
&rst
ixpk= 2056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 104, 105,
igr2= 93, 94,
&end
#
# 2 LYS HG- 5 GLN HG+ 5.00 (# 2057:20 Unique 2.20, 4.33 A)
&rst
ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 28, 29,
igr2= 93, 94,
&end
#
# 0 AMB 20-2:2058 0 AMB 20-1:2058 3.00 (# 2058:20 Double Ambig)
&rst
ixpk= 2058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
1841,1842,
igr2=1985,1986,1985,1986,
&end
#
# 59 GLN HB- 59 GLN HG+ 3.00 (# 2061:20 Unique 2.27, 2.63 A)
&rst
ixpk= 2061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 964, 965,
igr2= 967, 968,
&end
#
# 118 ASP HA 31 PRO HB- 3.00 (# 2062:20 Unique 1.87, 2.66 A)
&rst
ixpk= 2062, nxpk= 20, iat=1868, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 504, 505,
&end
#
# 0 AMB 20-2:2064 31 PRO HB- 4.00 (# 2064:20 Single Ambig)
&rst
ixpk= 2064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
igr2= 504, 505,
&end
#
# 62 LEU MDX 31 PRO HB- 3.00 (# 2065:20 Unique 2.60, 6.02 A)
&rst
ixpk= 2065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1015,1016,1017,1019,1020,1021,
igr2= 504, 505,
&end
#
# 143 VAL MGY 31 PRO HB+ 3.00 (# 2068:20 Unique 2.20, 4.02 A)
&rst
ixpk= 2068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2273,2274,2275,2277,2278,2279,
igr2= 504, 505,
&end
#
# 30 LYS HG+ 29 GLU HB- 4.00 (# 2069:20 Unique 2.18, 4.90 A)
&rst
ixpk= 2069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 482, 483,
igr2= 464, 465,
&end
#
# 59 GLN HA 59 GLN HG- 4.00 (# 2070:20 Unique 2.14, 3.08 A)
&rst
ixpk= 2070, nxpk= 20, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 967, 968,
&end
#
# 59 GLN HB- 59 GLN HG- 3.00 (# 2072:20 Unique 2.27, 2.63 A)
&rst
ixpk= 2072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 964, 965,
igr2= 967, 968,
&end
#
# 0 AMB 20-2:2074 116 VAL HB 3.00 (# 2074:20 Single Ambig)
&rst
ixpk= 2074, nxpk= 20, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
1841,1842,
&end
#
# 29 GLU HA 29 GLU HB+ 3.00 (# 2075:20 Unique 2.34, 2.72 A)
&rst
ixpk= 2075, nxpk= 20, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 464, 465,
&end
#
# 30 LYS HG+ 29 GLU HB+ 4.00 (# 2077:20 Unique 2.18, 4.90 A)
&rst
ixpk= 2077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 482, 483,
igr2= 464, 465,
&end
#
# 0 AMB 20-2:2078 0 AMB 20-1:2078 3.00 (# 2078:20 Double Ambig)
&rst
ixpk= 2078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2292,2293,2294,2296,2297,2298,1015,1016,1017,1019,
1020,1021,
igr2= 993, 994, 504, 505,
&end
#
# 29 GLU HA 29 GLU HB- 3.00 (# 2079:20 Unique 2.34, 2.72 A)
&rst
ixpk= 2079, nxpk= 20, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 464, 465,
&end
#
# 67 VAL MGY 67 VAL HB 3.00 (# 2080:20 Unique 2.23, 2.65 A)
&rst
ixpk= 2080, nxpk= 20, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1087,1088,1089,1091,1092,1093,
&end
#
# 67 VAL MGX 67 VAL HB 3.00 (# 2081:20 Unique 2.23, 2.65 A)
&rst
ixpk= 2081, nxpk= 20, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1087,1088,1089,1091,1092,1093,
&end
#
# 56 ASP HB+ 59 GLN HG- 4.00 (# 2083:20 Unique 4.75, 6.65 A)
&rst
ixpk= 2083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 909, 910,
igr2= 967, 968,
&end
#
# 144 LEU MDX 61 GLN HB+ 4.00 (# 2086:20 Unique 1.97, 3.87 A)
&rst
ixpk= 2086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2292,2293,2294,2296,2297,2298,
igr2= 993, 994,
&end
#
# 61 GLN HA 61 GLN HB+ 3.00 (# 2087:20 Unique 2.27, 2.80 A)
&rst
ixpk= 2087, nxpk= 20, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 993, 994,
&end
#
# 125 HIS HB- 116 VAL HB 5.00 (# 2088:20 Unique 2.69, 4.39 A)
&rst
ixpk= 2088, nxpk= 20, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1985,1986,
&end
#
# 0 AMB 20-2:2091 29 GLU HB- 4.00 (# 2091:20 Single Ambig)
&rst
ixpk= 2091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 482, 483, 485, 486,
igr2= 464, 465,
&end
#
# 127 GLN HA 127 GLN HB- 6.00 (# 2093:20 Unique 2.48, 2.85 A)
&rst
ixpk= 2093, nxpk= 20, iat=2020, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2022,2023,
&end
#
# 65 VAL HB 93 PRO HB+ 3.00 (# 2100:20 Unique 3.82, 4.87 A)
&rst
ixpk= 2100, nxpk= 20, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1484,1485,
&end
#
# 76 LEU MDX 70 PRO HB+ 3.00 (# 2101:20 Unique 2.16, 5.03 A)
&rst
ixpk= 2101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1228,1229,1230,1232,1233,1234,
igr2=1138,1139,
&end
#
# 93 PRO HG+ 93 PRO HB- 3.00 (# 2108:20 Unique 2.30, 2.59 A)
&rst
ixpk= 2108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1481,1482,
igr2=1484,1485,
&end
#
# 93 PRO HG- 93 PRO HB- 3.00 (# 2109:20 Unique 2.30, 2.59 A)
&rst
ixpk= 2109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1481,1482,
igr2=1484,1485,
&end
#
# 82 LYS HA 82 LYS HB+ 3.00 (# 2115:20 Unique 2.26, 2.70 A)
&rst
ixpk= 2115, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1316,1317,
&end
#
# 82 LYS HD+ 82 LYS HB+ 3.00 (# 2116:20 Unique 1.99, 3.09 A)
&rst
ixpk= 2116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1322,1323,
igr2=1316,1317,
&end
#
# 0 AMB 20-2:2117 0 AMB 20-1:2117 3.00 (# 2117:20 Double Ambig)
&rst
ixpk= 2117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1319,1320, 278, 279,
igr2=1316,1317,1316,1317,
&end
#
# 82 LYS HA 82 LYS HB- 3.00 (# 2119:20 Unique 2.26, 2.70 A)
&rst
ixpk= 2119, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1316,1317,
&end
#
# 99 ASP HB+ 70 PRO HB+ 4.00 (# 2121:20 Unique 7.02, 8.84 A)
&rst
ixpk= 2121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1573,1574,
igr2=1138,1139,
&end
#
# 75 ASP HB- 70 PRO HB+ 4.00 (# 2122:20 Unique 3.35, 4.83 A)
&rst
ixpk= 2122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1211,1212,
igr2=1138,1139,
&end
#
# 77 ASP HB+ 80 LYS HB- 3.00 (# 2126:20 Unique 2.67, 4.47 A)
&rst
ixpk= 2126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1242,1243,
igr2=1275,1276,
&end
#
# 39 ILE QD1 80 LYS HB- 3.00 (# 2127:20 Unique 3.96, 5.25 A)
&rst
ixpk= 2127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 648, 649, 650,
igr2=1275,1276,
&end
#
# 54 PHE HA 57 LYS HB+ 4.00 (# 2131:20 Unique 1.91, 2.85 A)
&rst
ixpk= 2131, nxpk= 20, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 921, 922,
&end
#
# 57 LYS HA 57 LYS HB+ 3.00 (# 2132:20 Unique 2.24, 2.67 A)
&rst
ixpk= 2132, nxpk= 20, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 921, 922,
&end
#
# 57 LYS HE- 57 LYS HB+ 5.00 (# 2133:20 Unique 1.84, 3.22 A)
&rst
ixpk= 2133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 930, 931,
igr2= 921, 922,
&end
#
# 57 LYS HG- 57 LYS HB+ 4.00 (# 2134:20 Unique 2.26, 2.73 A)
&rst
ixpk= 2134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 924, 925,
igr2= 921, 922,
&end
#
# 57 LYS HG+ 57 LYS HB+ 4.00 (# 2135:20 Unique 2.26, 2.73 A)
&rst
ixpk= 2135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 924, 925,
igr2= 921, 922,
&end
#
# 0 AMB 20-2:2139 0 AMB 20-1:2139 6.00 (# 2139:20 Double Ambig)
&rst
ixpk= 2139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 779, 780, 781,1437,1438,
igr2= 775, 776, 775, 776,
&end
#
# 8 PRO HG- 8 PRO HB- 3.00 (# 2143:20 Unique 2.30, 2.59 A)
&rst
ixpk= 2143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 138, 139,
igr2= 141, 142,
&end
#
# 0 AMB 20-2:2144 0 AMB 20-1:2144 5.00 (# 2144:20 Double Ambig)
&rst
ixpk= 2144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 88, 165,
igr2= 141, 142, 110, 111,
&end
#
# 6 PRO HD- 6 PRO HB+ 4.00 (# 2145:20 Unique 3.53, 3.89 A)
&rst
ixpk= 2145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 104, 105,
igr2= 110, 111,
&end
#
# 0 AMB 20-2:2148 82 LYS HB- 6.00 (# 2148:20 Single Ambig)
&rst
ixpk= 2148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 231, 232,1284,1285,
igr2=1316,1317,
&end
#
# 0 AMB 20-2:2149 0 AMB 20-1:2149 3.00 (# 2149:20 Double Ambig)
&rst
ixpk= 2149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 220,1353,
igr2= 222, 223,1275,1276,
&end
#
# 80 LYS HA 80 LYS HB- 3.00 (# 2150:20 Unique 2.22, 2.47 A)
&rst
ixpk= 2150, nxpk= 20, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1275,1276,
&end
#
# 80 LYS HE- 80 LYS HB- 4.00 (# 2151:20 Unique 1.95, 3.53 A)
&rst
ixpk= 2151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1284,1285,
igr2=1275,1276,
&end
#
# 0 AMB 20-2:2152 0 AMB 20-1:2152 3.00 (# 2152:20 Double Ambig)
&rst
ixpk= 2152, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 225, 226,1278,1279,
igr2= 222, 223,1275,1276,
&end
#
# 77 ASP HB- 80 LYS HB- 3.00 (# 2153:20 Unique 2.67, 4.47 A)
&rst
ixpk= 2153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1242,1243,
igr2=1275,1276,
&end
#
# 6 PRO HD- 6 PRO HB- 4.00 (# 2154:20 Unique 3.53, 3.89 A)
&rst
ixpk= 2154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 104, 105,
igr2= 110, 111,
&end
#
# 29 GLU HA 119 LYS HB- 5.00 (# 2157:20 Unique 2.28, 3.77 A)
&rst
ixpk= 2157, nxpk= 20, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1882,1883,
&end
#
# 0 AMB 20-2:2158 0 AMB 20-1:2158 3.00 (# 2158:20 Double Ambig)
&rst
ixpk= 2158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 863, 144,
igr2= 921, 922, 141, 142,
&end
#
# 57 LYS HA 57 LYS HB- 3.00 (# 2159:20 Unique 2.24, 2.67 A)
&rst
ixpk= 2159, nxpk= 20, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 921, 922,
&end
#
# 57 LYS HE- 57 LYS HB- 4.00 (# 2160:20 Unique 1.84, 3.22 A)
&rst
ixpk= 2160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 930, 931,
igr2= 921, 922,
&end
#
# 0 AMB 20-2:2162 0 AMB 20-1:2162 3.00 (# 2162:20 Double Ambig)
&rst
ixpk= 2162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 927, 928,1885,1886,
igr2= 921, 922,1882,1883,
&end
#
# 57 LYS HG- 57 LYS HB- 4.00 (# 2164:20 Unique 2.26, 2.73 A)
&rst
ixpk= 2164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 924, 925,
igr2= 921, 922,
&end
#
# 57 LYS HG+ 57 LYS HB- 4.00 (# 2165:20 Unique 2.26, 2.73 A)
&rst
ixpk= 2165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 924, 925,
igr2= 921, 922,
&end
#
# 119 LYS HA 119 LYS HB- 4.00 (# 2166:20 Unique 2.24, 2.45 A)
&rst
ixpk= 2166, nxpk= 20, iat=1880, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1882,1883,
&end
#
# 0 AMB 20-2:2177 0 AMB 20-1:2177 3.00 (# 2177:20 Double Ambig)
&rst
ixpk= 2177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1057, 144,
igr2=1467,1468, 141, 142,
&end
#
# 0 AMB 20-2:2178 0 AMB 20-1:2178 4.00 (# 2178:20 Double Ambig)
&rst
ixpk= 2178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1=1045,1046,1047,1049,1050,1051, 138, 139,
igr2=1467,1468, 141, 142,
&end
#
# 8 PRO HD- 0 AMB 20-1:2179 3.00 (# 2179:20 Single Ambig)
&rst
ixpk= 2179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 135, 136,
igr2= 141, 142, 110, 111,
&end
#
# 0 AMB 20-2:2180 0 AMB 20-1:2180 3.00 (# 2180:20 Double Ambig)
&rst
ixpk= 2180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 104, 105,1251,1252,1266,1267,
igr2= 110, 111,1257,1258,
&end
#
# 78 PRO HA 78 PRO HB+ 3.00 (# 2186:20 Unique 2.30, 2.52 A)
&rst
ixpk= 2186, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1257,1258,
&end
#
# 0 AMB 20-2:2187 0 AMB 20-1:2187 3.00 (# 2187:20 Double Ambig)
&rst
ixpk= 2187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 731, 732,1322,1323,
igr2= 725, 726,1316,1317,
&end
#
# 0 AMB 20-2:2188 0 AMB 20-1:2188 3.00 (# 2188:20 Double Ambig)
&rst
ixpk= 2188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2118,1260,
igr2=2171,2172,1316,1317,
&end
#
# 138 LYS HA 138 LYS HB- 3.00 (# 2189:20 Unique 2.22, 2.57 A)
&rst
ixpk= 2189, nxpk= 20, iat=2169, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2171,2172,
&end
#
# 0 AMB 20-2:2190 138 LYS HB- 4.00 (# 2190:20 Single Ambig)
&rst
ixpk= 2190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=2180,2181,2199,2200,
igr2=2171,2172,
&end
#
# 139 ARG HD+ 138 LYS HB- 5.00 (# 2191:20 Unique 3.39, 6.70 A)
&rst
ixpk= 2191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2199,2200,
igr2=2171,2172,
&end
#
# 0 AMB 20-2:2192 0 AMB 20-1:2192 3.00 (# 2192:20 Double Ambig)
&rst
ixpk= 2192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 731, 732,1322,1323,
igr2= 725, 726,1316,1317,
&end
#
# 0 AMB 20-2:2193 0 AMB 20-1:2193 3.00 (# 2193:20 Double Ambig)
&rst
ixpk= 2193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 728, 729,1319,1320, 278, 279,2174,2175,
igr2= 725, 726,1316,1317,2171,2172,
&end
#
# 138 LYS HA 138 LYS HB+ 3.00 (# 2195:20 Unique 2.22, 2.57 A)
&rst
ixpk= 2195, nxpk= 20, iat=2169, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2171,2172,
&end
#
# 0 AMB 20-2:2196 0 AMB 20-1:2196 3.00 (# 2196:20 Double Ambig)
&rst
ixpk= 2196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1885,1886, 138, 139,
igr2=1882,1883, 141, 142,
&end
#
# 30 LYS HE+ 119 LYS HB- 5.00 (# 2197:20 Unique 4.90, 7.21 A)
&rst
ixpk= 2197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 488, 489,
igr2=1882,1883,
&end
#
# 109 GLU HG- 109 GLU HB- 3.00 (# 2201:20 Unique 2.27, 2.75 A)
&rst
ixpk= 2201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1719,1720,
igr2=1716,1717,
&end
#
# 119 LYS HA 119 LYS HB+ 4.00 (# 2202:20 Unique 2.24, 2.45 A)
&rst
ixpk= 2202, nxpk= 20, iat=1880, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1882,1883,
&end
#
# 119 LYS HG- 119 LYS HB+ 4.00 (# 2203:20 Unique 2.26, 2.72 A)
&rst
ixpk= 2203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1885,1886,
igr2=1882,1883,
&end
#
# 0 AMB 20-2:2206 0 AMB 20-1:2206 3.00 (# 2206:20 Double Ambig)
&rst
ixpk= 2206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2081,2082,2022,2023,
igr2=2084,2085,2120,2121,
&end
#
# 78 PRO HA 78 PRO HB- 3.00 (# 2210:20 Unique 2.30, 2.52 A)
&rst
ixpk= 2210, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1257,1258,
&end
#
# 0 AMB 20-2:2214 138 LYS HB- 4.00 (# 2214:20 Single Ambig)
&rst
ixpk= 2214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=2180,2181,2199,2200,
igr2=2171,2172,
&end
#
# 109 GLU HA 109 GLU HB- 3.00 (# 2217:20 Unique 2.35, 2.82 A)
&rst
ixpk= 2217, nxpk= 20, iat=1714, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1716,1717,
&end
#
# 0 AMB 20-2:2222 1 MET HG- 3.00 (# 2222:20 Single Ambig)
&rst
ixpk= 2222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 6,1665,
igr2= 11, 12,
&end
#
# 0 AMB 20-2:2223 1 MET HG- 4.00 (# 2223:20 Single Ambig)
&rst
ixpk= 2223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1657,1658,1659, 15, 16, 17,
igr2= 11, 12,
&end
#
# 123 LEU MDX 1 MET HG- 4.00 (# 2224:20 Unique 2.43, 6.42 A)
&rst
ixpk= 2224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1947,1948,1949,1951,1952,1953,
igr2= 11, 12,
&end
#
# 0 AMB 20-2:2225 0 AMB 20-1:2225 3.00 (# 2225:20 Double Ambig)
&rst
ixpk= 2225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 6,1665,
igr2= 11, 12, 11, 12,
&end
#
# 0 AMB 20-2:2226 0 AMB 20-1:2226 3.00 (# 2226:20 Double Ambig)
&rst
ixpk= 2226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1657,1658,1659, 15, 16, 17,
igr2= 11, 12, 11, 12,
&end
#
# 0 AMB 20-2:2227 0 AMB 20-1:2227 4.00 (# 2227:20 Double Ambig)
&rst
ixpk= 2227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 822, 823, 824, 826, 827, 828,1947,1948,1949,1951,
1952,1953,
igr2=2084,2085, 11, 12,
&end
#
# 0 AMB 20-2:2228 0 AMB 20-1:2228 3.00 (# 2228:20 Double Ambig)
&rst
ixpk= 2228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2118,2054,2055,2072,2073,
igr2=2120,2121,2084,2085,
&end
#
# 0 AMB 20-2:2229 0 AMB 20-1:2229 3.00 (# 2229:20 Double Ambig)
&rst
ixpk= 2229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2127,2128,2129, 90, 91,
igr2=2120,2121, 11, 12,
&end
#
# 0 AMB 20-2:2230 0 AMB 20-1:2230 4.00 (# 2230:20 Double Ambig)
&rst
ixpk= 2230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2118,2054,2055,
igr2=2120,2121,2120,2121,
&end
#
# 135 MET ME 135 MET HB+ 3.00 (# 2231:20 Unique 1.87, 3.59 A)
&rst
ixpk= 2231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2127,2128,2129,
igr2=2120,2121,
&end
#
# 116 VAL MGY 143 VAL HB 3.00 (# 2233:20 Unique 1.95, 3.53 A)
&rst
ixpk= 2233, nxpk= 20, iat= -1,2271, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1836,1837,1838,1840,1841,1842,
&end
#
# 0 AMB 20-2:2243 0 AMB 20-1:2243 4.00 (# 2243:20 Double Ambig)
&rst
ixpk= 2243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1731,1732, 135, 136,
igr2= 11, 12, 11, 12,
&end
#
# 143 VAL HA 143 VAL HB 3.00 (# 2244:20 Unique 2.44, 2.61 A)
&rst
ixpk= 2244, nxpk= 20, iat=2269,2271, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 140 VAL HA 143 VAL HB 4.00 (# 2245:20 Unique 3.11, 3.81 A)
&rst
ixpk= 2245, nxpk= 20, iat=2215,2271, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2246 143 VAL HB 3.00 (# 2246:20 Single Ambig)
&rst
ixpk= 2246, nxpk= 20, iat= -1,2271, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
&end
#
# 143 VAL MGX 124 ARG HB+ 5.00 (# 2247:20 Unique 2.58, 5.50 A)
&rst
ixpk= 2247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2273,2274,2275,2277,2278,2279,
igr2=1961,1962,
&end
#
# 0 AMB 20-2:2250 124 ARG HB- 5.00 (# 2250:20 Single Ambig)
&rst
ixpk= 2250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
igr2=1961,1962,
&end
#
# 51 VAL MGX 51 VAL HB 3.00 (# 2255:20 Unique 2.23, 2.65 A)
&rst
ixpk= 2255, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 71 ARG HG- 71 ARG HB- 3.00 (# 2257:20 Unique 2.30, 2.77 A)
&rst
ixpk= 2257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1152,1153,
igr2=1149,1150,
&end
#
# 0 AMB 20-2:2258 140 VAL HB 3.00 (# 2258:20 Single Ambig)
&rst
ixpk= 2258, nxpk= 20, iat= -1,2217, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2219,2220,2221,2223,2224,2225,1015,1016,1017,1019,
1020,1021,
&end
#
# 140 VAL MGY 140 VAL HB 3.00 (# 2259:20 Unique 2.23, 2.65 A)
&rst
ixpk= 2259, nxpk= 20, iat= -1,2217, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2219,2220,2221,2223,2224,2225,
&end
#
# 137 GLU HA 140 VAL HB 3.00 (# 2260:20 Unique 2.86, 3.45 A)
&rst
ixpk= 2260, nxpk= 20, iat=2154,2217, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 124 ARG HG- 124 ARG HB- 4.00 (# 2264:20 Unique 2.29, 2.62 A)
&rst
ixpk= 2264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1964,1965,
igr2=1961,1962,
&end
#
# 148 GLU HA 148 GLU HB- 3.00 (# 2276:20 Unique 2.27, 2.76 A)
&rst
ixpk= 2276, nxpk= 20, iat=2343, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2345,2346,
&end
#
# 148 GLU HG+ 148 GLU HB- 3.00 (# 2277:20 Unique 2.27, 2.71 A)
&rst
ixpk= 2277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2348,2349,
igr2=2345,2346,
&end
#
# 0 AMB 20-2:2279 0 AMB 20-1:2279 3.00 (# 2279:20 Double Ambig)
&rst
ixpk= 2279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 770,1147,
igr2= 820,1121,1122,
&end
#
# 51 VAL MGY 51 VAL HB 3.00 (# 2280:20 Unique 2.23, 2.65 A)
&rst
ixpk= 2280, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 148 GLU HG+ 148 GLU HB+ 3.00 (# 2283:20 Unique 2.27, 2.71 A)
&rst
ixpk= 2283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2348,2349,
igr2=2345,2346,
&end
#
# 148 GLU HA 148 GLU HB+ 3.00 (# 2285:20 Unique 2.27, 2.76 A)
&rst
ixpk= 2285, nxpk= 20, iat=2343, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2345,2346,
&end
#
# 49 PRO HA 49 PRO HB+ 3.00 (# 2286:20 Unique 2.30, 2.52 A)
&rst
ixpk= 2286, nxpk= 20, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 792, 793,
&end
#
# 20 GLU HG- 20 GLU HB- 4.00 (# 2292:20 Unique 2.26, 2.68 A)
&rst
ixpk= 2292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 321, 322,
igr2= 318, 319,
&end
#
# 20 GLU HG+ 20 GLU HB- 4.00 (# 2293:20 Unique 2.26, 2.68 A)
&rst
ixpk= 2293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 321, 322,
igr2= 318, 319,
&end
#
# 0 AMB 20-2:2295 20 GLU HB- 3.00 (# 2295:20 Single Ambig)
&rst
ixpk= 2295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1514,1515, 316,
igr2= 318, 319,
&end
#
# 20 GLU HG+ 20 GLU HB+ 4.00 (# 2296:20 Unique 2.26, 2.68 A)
&rst
ixpk= 2296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 321, 322,
igr2= 318, 319,
&end
#
# 42 HIS HA 42 HIS HB- 3.00 (# 2299:20 Unique 2.34, 2.74 A)
&rst
ixpk= 2299, nxpk= 20, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 679, 680,
&end
#
# 0 AMB 20-2:2305 0 AMB 20-1:2305 3.00 (# 2305:20 Double Ambig)
&rst
ixpk= 2305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1125,1126,1127,1118,1119,
igr2=1121,1122,1121,1122,
&end
#
# 103 THR MG2 69 MET HG+ 5.00 (# 2306:20 Unique 3.73, 7.34 A)
&rst
ixpk= 2306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1633,1634,1635,
igr2=1121,1122,
&end
#
# 49 PRO HA 49 PRO HB- 4.00 (# 2307:20 Unique 2.30, 2.52 A)
&rst
ixpk= 2307, nxpk= 20, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 792, 793,
&end
#
# 0 AMB 20-2:2309 69 MET HG- 3.00 (# 2309:20 Single Ambig)
&rst
ixpk= 2309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1125,1126,1127,1118,1119,
igr2=1121,1122,
&end
#
# 122 GLN HG- 122 GLN HB+ 3.00 (# 2313:20 Unique 2.41, 2.78 A)
&rst
ixpk= 2313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1928,1929,
igr2=1925,1926,
&end
#
# 122 GLN HA 122 GLN HB+ 4.00 (# 2314:20 Unique 2.26, 2.66 A)
&rst
ixpk= 2314, nxpk= 20, iat=1923, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1925,1926,
&end
#
# 0 AMB 20-2:2315 0 AMB 20-1:2315 4.00 (# 2315:20 Double Ambig)
&rst
ixpk= 2315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 64,1940,
igr2=1925,1926,1925,1926,
&end
#
# 42 HIS HA 42 HIS HB+ 3.00 (# 2323:20 Unique 2.34, 2.74 A)
&rst
ixpk= 2323, nxpk= 20, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 679, 680,
&end
#
# 34 ILE QD1 23 ARG HB+ 6.00 (# 2325:20 Unique 3.07, 5.43 A)
&rst
ixpk= 2325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 557, 558, 559,
igr2= 363, 364,
&end
#
# 23 ARG HA 23 ARG HB+ 3.00 (# 2326:20 Unique 2.31, 2.52 A)
&rst
ixpk= 2326, nxpk= 20, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 363, 364,
&end
#
# 9 GLU HA 9 GLU HB+ 3.00 (# 2336:20 Unique 2.54, 2.82 A)
&rst
ixpk= 2336, nxpk= 20, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 152, 153,
&end
#
# 119 LYS HG- 119 LYS HD- 4.00 (# 2337:20 Unique 2.26, 2.74 A)
&rst
ixpk= 2337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1885,1886,
igr2=1888,1889,
&end
#
# 83 GLU HA 83 GLU HB+ 4.00 (# 2343:20 Unique 2.46, 2.87 A)
&rst
ixpk= 2343, nxpk= 20, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1338,1339,
&end
#
# 83 GLU HA 83 GLU HB- 3.00 (# 2344:20 Unique 2.46, 2.87 A)
&rst
ixpk= 2344, nxpk= 20, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1338,1339,
&end
#
# 46 GLU HA 46 GLU HB- 3.00 (# 2346:20 Unique 2.31, 2.73 A)
&rst
ixpk= 2346, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 747, 748,
&end
#
# 46 GLU HA 46 GLU HB+ 3.00 (# 2347:20 Unique 2.31, 2.73 A)
&rst
ixpk= 2347, nxpk= 20, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 747, 748,
&end
#
# 0 AMB 20-2:2348 0 AMB 20-1:2348 5.00 (# 2348:20 Double Ambig)
&rst
ixpk= 2348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.91, r4=11.41,
igr1= 701, 702, 703, 705, 706, 707,2273,2274,2275,2277,
2278,2279,2273,2274,2275,2277,2278,2279,
igr2= 747, 748,2247,2248,2247,2248,
&end
#
# 0 AMB 20-2:2349 0 AMB 20-1:2349 3.00 (# 2349:20 Double Ambig)
&rst
ixpk= 2349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2250,2251,2250,2251,
igr2=2247,2248,2247,2248,
&end
#
# 0 AMB 20-2:2350 0 AMB 20-1:2350 5.00 (# 2350:20 Double Ambig)
&rst
ixpk= 2350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
igr2=2247,2248,2247,2248,
&end
#
# 142 ARG HD+ 142 ARG HB+ 3.00 (# 2351:20 Unique 2.10, 3.21 A)
&rst
ixpk= 2351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2253,2254,
igr2=2247,2248,
&end
#
# 139 ARG HD- 142 ARG HB+ 5.00 (# 2352:20 Unique 3.06, 4.47 A)
&rst
ixpk= 2352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2199,2200,
igr2=2247,2248,
&end
#
# 11 THR MG2 9 GLU HB+ 4.00 (# 2354:20 Unique 1.96, 3.69 A)
&rst
ixpk= 2354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 188, 189, 190,
igr2= 152, 153,
&end
#
# 0 AMB 20-2:2355 0 AMB 20-1:2355 4.00 (# 2355:20 Double Ambig)
&rst
ixpk= 2355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 462, 455, 456,
igr2=1888,1889,1888,1889,
&end
#
# 119 LYS HB+ 119 LYS HD+ 3.00 (# 2356:20 Unique 1.97, 3.03 A)
&rst
ixpk= 2356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1882,1883,
igr2=1888,1889,
&end
#
# 119 LYS HG- 119 LYS HD+ 3.00 (# 2357:20 Unique 2.26, 2.74 A)
&rst
ixpk= 2357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1885,1886,
igr2=1888,1889,
&end
#
# 0 AMB 20-2:2358 119 LYS HD- 5.00 (# 2358:20 Single Ambig)
&rst
ixpk= 2358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 462, 455, 456,
igr2=1888,1889,
&end
#
# 88 HIS HA 88 HIS HB- 4.00 (# 2364:20 Unique 2.36, 2.79 A)
&rst
ixpk= 2364, nxpk= 20, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1402,1403,
&end
#
# 88 HIS HA 88 HIS HB+ 5.00 (# 2369:20 Unique 2.36, 2.79 A)
&rst
ixpk= 2369, nxpk= 20, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1402,1403,
&end
#
# 0 AMB 20-2:2374 0 AMB 20-1:2374 4.00 (# 2374:20 Double Ambig)
&rst
ixpk= 2374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 15, 16, 17, 69, 70,
igr2= 90, 91, 90, 91,
&end
#
# 21 VAL MGX 25 GLN HB- 5.00 (# 2375:20 Unique 1.97, 4.16 A)
&rst
ixpk= 2375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 335, 336, 337, 339, 340, 341,
igr2= 402, 403,
&end
#
# 0 AMB 20-2:2377 0 AMB 20-1:2377 3.00 (# 2377:20 Double Ambig)
&rst
ixpk= 2377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1351,2314,
igr2=1387,1388,2316,2317,
&end
#
# 0 AMB 20-2:2378 0 AMB 20-1:2378 3.00 (# 2378:20 Double Ambig)
&rst
ixpk= 2378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1319,1320,1377,1378,1379,1278,1279,
igr2=1338,1339,1387,1388,
&end
#
# 5 GLN HA 5 GLN HB- 3.00 (# 2382:20 Unique 2.26, 2.50 A)
&rst
ixpk= 2382, nxpk= 20, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 90, 91,
&end
#
# 0 AMB 20-2:2383 0 AMB 20-1:2383 4.00 (# 2383:20 Double Ambig)
&rst
ixpk= 2383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 104, 105,2135,
igr2= 90, 91,2156,2157,
&end
#
# 84 THR HA 87 GLU HB+ 3.00 (# 2384:20 Unique 2.10, 3.43 A)
&rst
ixpk= 2384, nxpk= 20, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1387,1388,
&end
#
# 142 ARG HA 142 ARG HB+ 3.00 (# 2386:20 Unique 2.30, 2.84 A)
&rst
ixpk= 2386, nxpk= 20, iat=2245, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2247,2248,
&end
#
# 82 LYS HA 82 LYS HD+ 3.00 (# 2388:20 Unique 2.39, 3.77 A)
&rst
ixpk= 2388, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1322,1323,
&end
#
# 17 LEU MDY 82 LYS HD+ 3.00 (# 2389:20 Unique 1.97, 4.67 A)
&rst
ixpk= 2389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 283, 284, 285, 287, 288, 289,
igr2=1322,1323,
&end
#
# 119 LYS HE+ 119 LYS HD+ 3.00 (# 2391:20 Unique 2.27, 2.70 A)
&rst
ixpk= 2391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1891,1892,
igr2=1888,1889,
&end
#
# 57 LYS HE- 57 LYS HD+ 3.00 (# 2392:20 Unique 2.27, 2.70 A)
&rst
ixpk= 2392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 930, 931,
igr2= 927, 928,
&end
#
# 57 LYS HG+ 57 LYS HD+ 3.00 (# 2393:20 Unique 2.28, 2.61 A)
&rst
ixpk= 2393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 924, 925,
igr2= 927, 928,
&end
#
# 57 LYS HG- 57 LYS HD+ 3.00 (# 2395:20 Unique 2.28, 2.61 A)
&rst
ixpk= 2395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 924, 925,
igr2= 927, 928,
&end
#
# 0 AMB 20-2:2396 0 AMB 20-1:2396 3.00 (# 2396:20 Double Ambig)
&rst
ixpk= 2396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 464, 465, 850, 851,
igr2= 485, 486, 927, 928,
&end
#
# 61 GLN HA 30 LYS HD- 5.00 (# 2398:20 Unique 1.99, 3.28 A)
&rst
ixpk= 2398, nxpk= 20, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 485, 486,
&end
#
# 57 LYS HE- 57 LYS HD- 3.00 (# 2400:20 Unique 2.27, 2.70 A)
&rst
ixpk= 2400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 930, 931,
igr2= 927, 928,
&end
#
# 57 LYS HG- 57 LYS HD- 4.00 (# 2401:20 Unique 2.28, 2.61 A)
&rst
ixpk= 2401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 924, 925,
igr2= 927, 928,
&end
#
# 57 LYS HG+ 57 LYS HD- 3.00 (# 2402:20 Unique 2.28, 2.61 A)
&rst
ixpk= 2402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 924, 925,
igr2= 927, 928,
&end
#
# 5 GLN HA 5 GLN HB+ 3.00 (# 2409:20 Unique 2.26, 2.50 A)
&rst
ixpk= 2409, nxpk= 20, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 90, 91,
&end
#
# 6 PRO HD- 5 GLN HB+ 4.00 (# 2410:20 Unique 4.02, 4.63 A)
&rst
ixpk= 2410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 104, 105,
igr2= 90, 91,
&end
#
# 25 GLN HA 25 GLN HB- 3.00 (# 2411:20 Unique 2.38, 2.83 A)
&rst
ixpk= 2411, nxpk= 20, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 402, 403,
&end
#
# 0 AMB 20-2:2413 0 AMB 20-1:2413 3.00 (# 2413:20 Double Ambig)
&rst
ixpk= 2413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2269,1385, 801,
igr2=2316,2317,1387,1388, 803, 804,
&end
#
# 146 GLU HG- 146 GLU HB- 3.00 (# 2414:20 Unique 2.28, 2.69 A)
&rst
ixpk= 2414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2319,2320,
igr2=2316,2317,
&end
#
# 137 GLU HA 137 GLU HB- 4.00 (# 2415:20 Unique 2.29, 2.76 A)
&rst
ixpk= 2415, nxpk= 20, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2156,2157,
&end
#
# 137 GLU HA 137 GLU HB+ 4.00 (# 2416:20 Unique 2.29, 2.76 A)
&rst
ixpk= 2416, nxpk= 20, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2156,2157,
&end
#
# 0 AMB 20-2:2417 0 AMB 20-1:2417 4.00 (# 2417:20 Double Ambig)
&rst
ixpk= 2417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 335, 336, 337, 339, 340, 341, 424, 425, 426, 428,
429, 430,
igr2= 402, 403, 402, 403,
&end
#
# 74 ASP HA 80 LYS HD+ 6.00 (# 2421:20 Unique 2.03, 3.69 A)
&rst
ixpk= 2421, nxpk= 20, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1281,1282,
&end
#
# 0 AMB 20-2:2425 30 LYS HD- 3.00 (# 2425:20 Single Ambig)
&rst
ixpk= 2425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 479, 480, 464, 465,
igr2= 485, 486,
&end
#
# 53 GLU HA 53 GLU HB- 3.00 (# 2432:20 Unique 2.26, 2.50 A)
&rst
ixpk= 2432, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 850, 851,
&end
#
# 0 AMB 20-2:2433 0 AMB 20-1:2433 6.00 (# 2433:20 Double Ambig)
&rst
ixpk= 2433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 351, 352, 353, 318, 319,
igr2= 387, 388, 402, 403, 402, 403,
&end
#
# 24 GLU HA 24 GLU HB+ 3.00 (# 2435:20 Unique 2.33, 2.47 A)
&rst
ixpk= 2435, nxpk= 20, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 387, 388,
&end
#
# 0 AMB 20-2:2436 0 AMB 20-1:2436 6.00 (# 2436:20 Double Ambig)
&rst
ixpk= 2436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 909, 910, 124, 125,1242,1243,
igr2= 850, 851, 387, 388,1184,1185,
&end
#
# 0 AMB 20-2:2437 0 AMB 20-1:2437 3.00 (# 2437:20 Double Ambig)
&rst
ixpk= 2437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 390, 391, 853, 854,
igr2= 387, 388, 850, 851,
&end
#
# 57 LYS HD- 53 GLU HB+ 6.00 (# 2438:20 Unique 3.09, 5.94 A)
&rst
ixpk= 2438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 927, 928,
igr2= 850, 851,
&end
#
# 50 GLN HA 50 GLN HB+ 3.00 (# 2439:20 Unique 2.32, 2.81 A)
&rst
ixpk= 2439, nxpk= 20, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 803, 804,
&end
#
# 0 AMB 20-2:2441 0 AMB 20-1:2441 3.00 (# 2441:20 Double Ambig)
&rst
ixpk= 2441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1284,1285, 734, 735, 734, 735,
igr2=1281,1282, 731, 732, 731, 732,
&end
#
# 0 AMB 20-2:2442 0 AMB 20-1:2442 3.00 (# 2442:20 Double Ambig)
&rst
ixpk= 2442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 639, 750, 751,1338,1339,
igr2=1281,1282, 731, 732, 731, 732,
&end
#
# 0 AMB 20-2:2443 0 AMB 20-1:2443 3.00 (# 2443:20 Double Ambig)
&rst
ixpk= 2443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 728, 729,1278,1279,
igr2= 731, 732,1281,1282,
&end
#
# 39 ILE QD1 80 LYS HD- 3.00 (# 2444:20 Unique 1.94, 2.89 A)
&rst
ixpk= 2444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 648, 649, 650,
igr2=1281,1282,
&end
#
# 80 LYS HB- 80 LYS HD+ 3.00 (# 2445:20 Unique 2.10, 3.40 A)
&rst
ixpk= 2445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1275,1276,
igr2=1281,1282,
&end
#
# 135 MET HA 138 LYS HD+ 3.00 (# 2447:20 Unique 1.93, 4.04 A)
&rst
ixpk= 2447, nxpk= 20, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2177,2178,
&end
#
# 138 LYS HA 138 LYS HD+ 4.00 (# 2448:20 Unique 1.99, 3.28 A)
&rst
ixpk= 2448, nxpk= 20, iat=2169, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2177,2178,
&end
#
# 30 LYS HB- 30 LYS HD- 3.00 (# 2449:20 Unique 1.98, 3.11 A)
&rst
ixpk= 2449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 479, 480,
igr2= 485, 486,
&end
#
# 139 ARG HG+ 139 ARG HB+ 3.00 (# 2453:20 Unique 2.27, 2.66 A)
&rst
ixpk= 2453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2196,2197,
igr2=2193,2194,
&end
#
# 59 GLN HA 59 GLN HB+ 3.00 (# 2458:20 Unique 2.57, 2.86 A)
&rst
ixpk= 2458, nxpk= 20, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 964, 965,
&end
#
# 59 GLN HA 59 GLN HB- 3.00 (# 2462:20 Unique 2.57, 2.86 A)
&rst
ixpk= 2462, nxpk= 20, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 964, 965,
&end
#
# 0 AMB 20-2:2466 0 AMB 20-1:2466 6.00 (# 2466:20 Double Ambig)
&rst
ixpk= 2466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1= 924, 925, 424, 425, 426, 428, 429, 430,
igr2= 850, 851, 554, 555,
&end
#
# 0 AMB 20-2:2468 0 AMB 20-1:2468 3.00 (# 2468:20 Double Ambig)
&rst
ixpk= 2468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 172, 173, 174, 176, 177, 178, 557, 558, 559,
igr2= 554, 555, 554, 555,
&end
#
# 45 LYS HE- 45 LYS HD- 3.00 (# 2471:20 Unique 2.27, 2.65 A)
&rst
ixpk= 2471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 734, 735,
igr2= 731, 732,
&end
#
# 139 ARG HG- 139 ARG HB+ 5.00 (# 2478:20 Unique 2.27, 2.66 A)
&rst
ixpk= 2478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2196,2197,
igr2=2193,2194,
&end
#
# 0 AMB 20-2:2481 34 ILE HG1- 3.00 (# 2481:20 Single Ambig)
&rst
ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 172, 173, 174, 176, 177, 178, 557, 558, 559,
igr2= 554, 555,
&end
#
# 34 ILE QG2 34 ILE HG1- 4.00 (# 2482:20 Unique 2.01, 3.46 A)
&rst
ixpk= 2482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 550, 551, 552,
igr2= 554, 555,
&end
#
# 56 ASP HA 59 GLN HB+ 4.00 (# 2486:20 Unique 1.87, 2.70 A)
&rst
ixpk= 2486, nxpk= 20, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 964, 965,
&end
#
# 34 ILE QG2 34 ILE HG1+ 4.00 (# 2489:20 Unique 2.01, 3.46 A)
&rst
ixpk= 2489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 550, 551, 552,
igr2= 554, 555,
&end
#
# 0 AMB 20-2:2496 33 LEU HG 6.00 (# 2496:20 Single Ambig)
&rst
ixpk= 2496, nxpk= 20, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
1841,1842,
&end
#
# 33 LEU HB- 33 LEU HG 4.00 (# 2497:20 Unique 2.25, 2.62 A)
&rst
ixpk= 2497, nxpk= 20, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 529, 530,
&end
#
# 33 LEU MDY 33 LEU HG 3.00 (# 2498:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2498, nxpk= 20, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 534, 535, 536, 538, 539, 540,
&end
#
# 33 LEU MDX 33 LEU HG 3.00 (# 2499:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2499, nxpk= 20, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 534, 535, 536, 538, 539, 540,
&end
#
# 0 AMB 20-2:2503 4 ARG HG- 3.00 (# 2503:20 Single Ambig)
&rst
ixpk= 2503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 72, 73, 72, 73,
igr2= 69, 70,
&end
#
# 4 ARG HA 4 ARG HG- 4.00 (# 2504:20 Unique 2.47, 3.26 A)
&rst
ixpk= 2504, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 69, 70,
&end
#
# 4 ARG HA 4 ARG HG+ 4.00 (# 2512:20 Unique 2.47, 3.26 A)
&rst
ixpk= 2512, nxpk= 20, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 69, 70,
&end
#
# 4 ARG HB- 4 ARG HG+ 4.00 (# 2513:20 Unique 2.26, 2.72 A)
&rst
ixpk= 2513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 66, 67,
igr2= 69, 70,
&end
#
# 4 ARG HB+ 4 ARG HG+ 3.00 (# 2514:20 Unique 2.26, 2.72 A)
&rst
ixpk= 2514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 66, 67,
igr2= 69, 70,
&end
#
# 81 ILE QD1 81 ILE HG1+ 4.00 (# 2515:20 Unique 2.26, 2.67 A)
&rst
ixpk= 2515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1306,1307,1308,
igr2=1303,1304,
&end
#
# 81 ILE QD1 81 ILE HG1- 4.00 (# 2517:20 Unique 2.26, 2.67 A)
&rst
ixpk= 2517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1306,1307,1308,
igr2=1303,1304,
&end
#
# 100 HIS HA 100 HIS HB- 4.00 (# 2519:20 Unique 2.54, 2.83 A)
&rst
ixpk= 2519, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1585,1586,
&end
#
# 100 HIS HA 100 HIS HB+ 5.00 (# 2520:20 Unique 2.54, 2.83 A)
&rst
ixpk= 2520, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1585,1586,
&end
#
# 48 MET HA 48 MET HB- 6.00 (# 2522:20 Unique 2.33, 2.81 A)
&rst
ixpk= 2522, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 772, 773,
&end
#
# 49 PRO HD+ 48 MET HB+ 4.00 (# 2523:20 Unique 1.88, 3.26 A)
&rst
ixpk= 2523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 786, 787,
igr2= 772, 773,
&end
#
# 78 PRO HD- 78 PRO HG+ 3.00 (# 2524:20 Unique 2.30, 2.59 A)
&rst
ixpk= 2524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1251,1252,
igr2=1254,1255,
&end
#
# 107 GLU HA 107 GLU HB+ 3.00 (# 2525:20 Unique 2.60, 2.85 A)
&rst
ixpk= 2525, nxpk= 20, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1687,1688,
&end
#
# 31 PRO HD+ 31 PRO HG- 3.00 (# 2526:20 Unique 2.30, 2.59 A)
&rst
ixpk= 2526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 498, 499,
igr2= 501, 502,
&end
#
# 0 AMB 20-2:2527 0 AMB 20-1:2527 3.00 (# 2527:20 Double Ambig)
&rst
ixpk= 2527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2285,1260,
igr2= 501, 502,1254,1255,
&end
#
# 0 AMB 20-2:2528 0 AMB 20-1:2528 3.00 (# 2528:20 Double Ambig)
&rst
ixpk= 2528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1251,1252, 498, 499,
igr2=1254,1255, 501, 502,
&end
#
# 31 PRO HB- 31 PRO HG- 3.00 (# 2529:20 Unique 2.30, 2.59 A)
&rst
ixpk= 2529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 504, 505,
igr2= 501, 502,
&end
#
# 0 AMB 20-2:2530 31 PRO HG- 3.00 (# 2530:20 Single Ambig)
&rst
ixpk= 2530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
igr2= 501, 502,
&end
#
# 0 AMB 20-2:2531 31 PRO HG- 3.00 (# 2531:20 Single Ambig)
&rst
ixpk= 2531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=2292,2293,2294,2296,2297,2298,1015,1016,1017,1019,
1020,1021,
igr2= 501, 502,
&end
#
# 71 ARG HA 71 ARG HG- 4.00 (# 2535:20 Unique 2.15, 2.54 A)
&rst
ixpk= 2535, nxpk= 20, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1152,1153,
&end
#
# 78 PRO HD+ 78 PRO HG+ 3.00 (# 2542:20 Unique 2.30, 2.59 A)
&rst
ixpk= 2542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1251,1252,
igr2=1254,1255,
&end
#
# 0 AMB 20-2:2544 0 AMB 20-1:2544 4.00 (# 2544:20 Double Ambig)
&rst
ixpk= 2544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1260,1560,
igr2=1254,1255,1254,1255,
&end
#
# 0 AMB 20-2:2549 0 AMB 20-1:2549 5.00 (# 2549:20 Double Ambig)
&rst
ixpk= 2549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.20, r4=10.70,
igr1=1228,1229,1230,1232,1233,1234,1536,1537,1538,1540,
1541,1542,
igr2=1135,1136,1135,1136,1135,1136,
&end
#
# 31 PRO HA 31 PRO HG- 4.00 (# 2552:20 Unique 3.88, 3.93 A)
&rst
ixpk= 2552, nxpk= 20, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 501, 502,
&end
#
# 102 LEU HG 10 LEU HG 5.00 (# 2555:20 Unique 5.30, 6.58 A)
&rst
ixpk= 2555, nxpk= 20, iat=1615, 170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 ARG HA 71 ARG HG+ 3.00 (# 2556:20 Unique 2.15, 2.54 A)
&rst
ixpk= 2556, nxpk= 20, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1152,1153,
&end
#
# 0 AMB 20-2:2557 0 AMB 20-1:2557 3.00 (# 2557:20 Double Ambig)
&rst
ixpk= 2557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1155,1156, 669, 670,
igr2=1152,1153,1152,1153,
&end
#
# 0 AMB 20-2:2560 71 ARG HG- 3.00 (# 2560:20 Single Ambig)
&rst
ixpk= 2560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1155,1156, 669, 670,
igr2=1152,1153,
&end
#
# 6 PRO HB- 0 AMB 20-1:2573 3.00 (# 2573:20 Single Ambig)
&rst
ixpk= 2573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 110, 111,
igr2= 107, 108, 107, 108,
&end
#
# 3 LEU MDX 3 LEU HG 3.00 (# 2575:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2575, nxpk= 20, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 3 LEU MDY 3 LEU HG 3.00 (# 2576:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2576, nxpk= 20, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 52, 53, 54, 56, 57, 58,
&end
#
# 3 LEU HA 3 LEU HG 5.00 (# 2577:20 Unique 2.81, 3.18 A)
&rst
ixpk= 2577, nxpk= 20, iat= 45, 50, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 LEU HB+ 10 LEU HG 3.00 (# 2578:20 Unique 2.21, 2.51 A)
&rst
ixpk= 2578, nxpk= 20, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 167, 168,
&end
#
# 10 LEU MDY 10 LEU HG 3.00 (# 2579:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2579, nxpk= 20, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 172, 173, 174, 176, 177, 178,
&end
#
# 94 ILE HB 17 LEU HG 3.00 (# 2580:20 Unique 2.66, 3.58 A)
&rst
ixpk= 2580, nxpk= 20, iat=1495, 281, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2581 0 AMB 20-1:2581 4.00 (# 2581:20 Double Ambig)
&rst
ixpk= 2581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 351, 352, 353, 517, 518, 519, 554, 555,
igr2= 366, 367, 366, 367, 366, 367,
&end
#
# 123 LEU HB- 123 LEU HG 4.00 (# 2582:20 Unique 2.24, 2.69 A)
&rst
ixpk= 2582, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1942,1943,
&end
#
# 3 LEU HG 123 LEU HG 6.00 (# 2583:20 Unique 3.36, 4.51 A)
&rst
ixpk= 2583, nxpk= 20, iat= 50,1945, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 ILE QD1 94 ILE HG1+ 3.00 (# 2592:20 Unique 2.26, 2.67 A)
&rst
ixpk= 2592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1504,1505,1506,
igr2=1501,1502,
&end
#
# 0 AMB 20-2:2599 0 AMB 20-1:2599 5.00 (# 2599:20 Double Ambig)
&rst
ixpk= 2599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1= 121, 122, 121, 122, 69, 70, 69, 70,
igr2= 107, 108, 107, 108, 107, 108,
&end
#
# 0 AMB 20-2:2601 0 AMB 20-1:2601 3.00 (# 2601:20 Double Ambig)
&rst
ixpk= 2601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2253,2254,2253,2254,
igr2=2250,2251,2250,2251,
&end
#
# 0 AMB 20-2:2602 0 AMB 20-1:2602 3.00 (# 2602:20 Double Ambig)
&rst
ixpk= 2602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2247,2248,2247,2248, 387, 388,
igr2=2250,2251,2250,2251, 366, 367,
&end
#
# 142 ARG HA 142 ARG HG+ 3.00 (# 2603:20 Unique 2.04, 3.04 A)
&rst
ixpk= 2603, nxpk= 20, iat=2245, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2250,2251,
&end
#
# 0 AMB 20-2:2604 0 AMB 20-1:2604 3.00 (# 2604:20 Double Ambig)
&rst
ixpk= 2604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2191, 361,
igr2=2250,2251, 366, 367,
&end
#
# 143 VAL MGX 0 AMB 20-1:2605 3.00 (# 2605:20 Single Ambig)
&rst
ixpk= 2605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=2273,2274,2275,2277,2278,2279,
igr2=1964,1965,2250,2251,
&end
#
# 0 AMB 20-2:2606 10 LEU HG 4.00 (# 2606:20 Single Ambig)
&rst
ixpk= 2606, nxpk= 20, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 361, 150,
&end
#
# 0 AMB 20-2:2607 10 LEU HG 6.00 (# 2607:20 Single Ambig)
&rst
ixpk= 2607, nxpk= 20, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr1= 554, 555, 517, 518, 519, 138, 139,
&end
#
# 0 AMB 20-2:2608 10 LEU HG 3.00 (# 2608:20 Single Ambig)
&rst
ixpk= 2608, nxpk= 20, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 557, 558, 559, 172, 173, 174, 176, 177, 178,
&end
#
# 18 ASN HA 17 LEU HG 4.00 (# 2609:20 Unique 4.53, 7.04 A)
&rst
ixpk= 2609, nxpk= 20, iat= 295, 281, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2610 0 AMB 20-1:2610 3.00 (# 2610:20 Double Ambig)
&rst
ixpk= 2610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 501, 502,1495,1010,1011,
igr2=2290, 281,
&end
#
# 17 LEU HB- 17 LEU HG 3.00 (# 2611:20 Unique 2.24, 2.48 A)
&rst
ixpk= 2611, nxpk= 20, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 278, 279,
&end
#
# 0 AMB 20-2:2612 0 AMB 20-1:2612 3.00 (# 2612:20 Double Ambig)
&rst
ixpk= 2612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 283, 284, 285, 287, 288, 289,2292,2293,2294,2296,
2297,2298,
igr2= 281,2290,
&end
#
# 0 AMB 20-2:2613 0 AMB 20-1:2613 3.00 (# 2613:20 Double Ambig)
&rst
ixpk= 2613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 515,1429, 361,1365,
igr2= 444, 445,1437,1438,
&end
#
# 0 AMB 20-2:2615 0 AMB 20-1:2615 3.00 (# 2615:20 Double Ambig)
&rst
ixpk= 2615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 436,1610,
igr2= 444, 445, 138, 139,
&end
#
# 8 PRO HD+ 8 PRO HG- 4.00 (# 2616:20 Unique 2.30, 2.59 A)
&rst
ixpk= 2616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 135, 136,
igr2= 138, 139,
&end
#
# 8 PRO HD- 8 PRO HG- 4.00 (# 2617:20 Unique 2.30, 2.59 A)
&rst
ixpk= 2617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 135, 136,
igr2= 138, 139,
&end
#
# 0 AMB 20-2:2618 0 AMB 20-1:2618 4.00 (# 2618:20 Double Ambig)
&rst
ixpk= 2618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 141, 142, 772, 773,
igr2= 138, 139,1437,1438,
&end
#
# 0 AMB 20-2:2619 8 PRO HG- 3.00 (# 2619:20 Single Ambig)
&rst
ixpk= 2619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 15, 16, 17, 141, 142,1657,1658,1659,
igr2= 138, 139,
&end
#
# 0 AMB 20-2:2621 0 AMB 20-1:2621 3.00 (# 2621:20 Double Ambig)
&rst
ixpk= 2621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1617,1618,1619,1621,1622,1623, 424, 425, 426, 428,
429, 430, 447, 448, 449,
igr2= 138, 139, 444, 445,
&end
#
# 0 AMB 20-2:2624 102 LEU HG 4.00 (# 2624:20 Single Ambig)
&rst
ixpk= 2624, nxpk= 20, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1602,1603,1604, 167, 168,
&end
#
# 0 AMB 20-2:2627 123 LEU HG 3.00 (# 2627:20 Single Ambig)
&rst
ixpk= 2627, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 52, 53, 54, 56, 57, 58,1947,1948,1949,1951,
1952,1953,
&end
#
# 123 LEU MDY 123 LEU HG 4.00 (# 2628:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2628, nxpk= 20, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1947,1948,1949,1951,1952,1953,
&end
#
# 8 PRO HD+ 8 PRO HG+ 4.00 (# 2630:20 Unique 2.30, 2.59 A)
&rst
ixpk= 2630, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 135, 136,
igr2= 138, 139,
&end
#
# 8 PRO HD- 8 PRO HG+ 4.00 (# 2631:20 Unique 2.30, 2.59 A)
&rst
ixpk= 2631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 135, 136,
igr2= 138, 139,
&end
#
# 8 PRO HB- 8 PRO HG+ 4.00 (# 2632:20 Unique 2.30, 2.59 A)
&rst
ixpk= 2632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 141, 142,
igr2= 138, 139,
&end
#
# 0 AMB 20-2:2633 0 AMB 20-1:2633 3.00 (# 2633:20 Double Ambig)
&rst
ixpk= 2633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 15, 16, 17, 141, 142,1657,1658,1659,
igr2= 138, 139, 138, 139, 138, 139,
&end
#
# 102 LEU MDX 8 PRO HG+ 3.00 (# 2634:20 Unique 1.94, 4.33 A)
&rst
ixpk= 2634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1617,1618,1619,1621,1622,1623,
igr2= 138, 139,
&end
#
# 0 AMB 20-2:2635 0 AMB 20-1:2635 3.00 (# 2635:20 Double Ambig)
&rst
ixpk= 2635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 438, 366, 367,
igr2= 444, 445, 444, 445,
&end
#
# 26 LEU MDY 27 ILE HG1+ 3.00 (# 2637:20 Unique 1.95, 5.79 A)
&rst
ixpk= 2637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 424, 425, 426, 428, 429, 430,
igr2= 444, 445,
&end
#
# 0 AMB 20-2:2638 0 AMB 20-1:2638 5.00 (# 2638:20 Double Ambig)
&rst
ixpk= 2638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 436,1916,1917,
igr2= 444, 445, 444, 445,
&end
#
# 4 ARG HD- 4 ARG HB- 5.00 (# 2643:20 Unique 2.02, 3.07 A)
&rst
ixpk= 2643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 72, 73,
igr2= 66, 67,
&end
#
# 144 LEU HA 144 LEU HG 4.00 (# 2644:20 Unique 2.38, 2.68 A)
&rst
ixpk= 2644, nxpk= 20, iat=2285,2290, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2645 0 AMB 20-1:2645 3.00 (# 2645:20 Double Ambig)
&rst
ixpk= 2645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2292,2293,2294,2296,2297,2298,1299,1300,1301,
igr2=2290, 281,
&end
#
# 102 LEU MDX 102 LEU HG 3.00 (# 2646:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2646, nxpk= 20, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1617,1618,1619,1621,1622,1623,
&end
#
# 102 LEU HA 102 LEU HG 4.00 (# 2647:20 Unique 2.32, 2.82 A)
&rst
ixpk= 2647, nxpk= 20, iat=1610,1615, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 26 LEU HA 26 LEU MDY 5.00 (# 2648:20 Unique 1.97, 4.23 A)
&rst
ixpk= 2648, nxpk= 20, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 424, 425, 426, 428, 429, 430,
&end
#
# 23 ARG HA 26 LEU MDY 4.00 (# 2649:20 Unique 1.96, 3.70 A)
&rst
ixpk= 2649, nxpk= 20, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 424, 425, 426, 428, 429, 430,
&end
#
# 0 AMB 20-2:2650 0 AMB 20-1:2650 3.00 (# 2650:20 Double Ambig)
&rst
ixpk= 2650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 422, 278, 279, 363, 364,
igr2= 424, 425, 426, 428, 429, 430,1501,1502,
&end
#
# 32 THR MG2 26 LEU MDY 3.00 (# 2652:20 Unique 1.97, 4.22 A)
&rst
ixpk= 2652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 517, 518, 519,
igr2= 424, 425, 426, 428, 429, 430,
&end
#
# 58 TYR HB- 62 LEU MDY 5.00 (# 2654:20 Unique 1.92, 4.72 A)
&rst
ixpk= 2654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 943, 944,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 58 TYR HB+ 62 LEU MDY 5.00 (# 2655:20 Unique 1.92, 4.72 A)
&rst
ixpk= 2655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 943, 944,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 33 LEU HB+ 62 LEU MDY 5.00 (# 2656:20 Unique 1.92, 3.36 A)
&rst
ixpk= 2656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 529, 530,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 0 AMB 20-2:2657 62 LEU MDY 3.00 (# 2657:20 Single Ambig)
&rst
ixpk= 2657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1010,1011, 501, 502, 504, 505,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 62 LEU HG 62 LEU MDY 3.00 (# 2658:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2658, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 0 AMB 20-2:2659 62 LEU MDY 3.00 (# 2659:20 Single Ambig)
&rst
ixpk= 2659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1010,1011, 534, 535, 536, 538, 539, 540,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 64 VAL MGX 62 LEU MDY 3.00 (# 2660:20 Unique 1.92, 5.25 A)
&rst
ixpk= 2660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1045,1046,1047,1049,1050,1051,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 140 VAL MGY 62 LEU MDY 3.00 (# 2661:20 Unique 1.95, 4.76 A)
&rst
ixpk= 2661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2219,2220,2221,2223,2224,2225,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 8 PRO HG+ 102 LEU HG 3.00 (# 2663:20 Unique 1.89, 3.00 A)
&rst
ixpk= 2663, nxpk= 20, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 138, 139,
&end
#
# 0 AMB 20-2:2664 102 LEU HG 4.00 (# 2664:20 Single Ambig)
&rst
ixpk= 2664, nxpk= 20, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1608,1617,1618,1619,1621,1622,1623,
&end
#
# 102 LEU HB- 102 LEU HG 3.00 (# 2665:20 Unique 2.24, 2.69 A)
&rst
ixpk= 2665, nxpk= 20, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1612,1613,
&end
#
# 0 AMB 20-2:2666 102 LEU HG 3.00 (# 2666:20 Single Ambig)
&rst
ixpk= 2666, nxpk= 20, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1612,1613,1633,1634,1635,
&end
#
# 140 VAL MGX 136 LEU HG 4.00 (# 2668:20 Unique 2.10, 6.62 A)
&rst
ixpk= 2668, nxpk= 20, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2219,2220,2221,2223,2224,2225,
&end
#
# 136 LEU MDX 136 LEU HG 3.00 (# 2669:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2669, nxpk= 20, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2142,2143,2144,2146,2147,2148,
&end
#
# 136 LEU MDY 136 LEU HG 3.00 (# 2670:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2670, nxpk= 20, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2142,2143,2144,2146,2147,2148,
&end
#
# 0 AMB 20-2:2671 10 LEU MDX 5.00 (# 2671:20 Single Ambig)
&rst
ixpk= 2671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 361, 150,
igr2= 172, 173, 174, 176, 177, 178,
&end
#
# 0 AMB 20-2:2672 10 LEU MDX 3.00 (# 2672:20 Single Ambig)
&rst
ixpk= 2672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 121, 122, 170,
igr2= 172, 173, 174, 176, 177, 178,
&end
#
# 92 GLN HA 92 GLN HB- 5.00 (# 2675:20 Unique 2.30, 2.49 A)
&rst
ixpk= 2675, nxpk= 20, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1464,1465,
&end
#
# 0 AMB 20-2:2676 92 GLN HB- 5.00 (# 2676:20 Single Ambig)
&rst
ixpk= 2676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1478,1479,1478,1479,
igr2=1464,1465,
&end
#
# 62 LEU MDY 33 LEU MDX 3.00 (# 2679:20 Unique 1.97, 5.55 A)
&rst
ixpk= 2679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1015,1016,1017,1019,1020,1021,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 51 VAL MGX 33 LEU MDX 4.00 (# 2680:20 Unique 4.59, 8.15 A)
&rst
ixpk= 2680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 822, 823, 824, 826, 827, 828,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 10 LEU HA 10 LEU MDX 5.00 (# 2681:20 Unique 1.94, 3.38 A)
&rst
ixpk= 2681, nxpk= 20, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 172, 173, 174, 176, 177, 178,
&end
#
# 10 LEU HB+ 10 LEU MDX 3.00 (# 2682:20 Unique 1.98, 3.46 A)
&rst
ixpk= 2682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 167, 168,
igr2= 172, 173, 174, 176, 177, 178,
&end
#
# 23 ARG HB+ 10 LEU MDX 3.00 (# 2683:20 Unique 2.17, 5.40 A)
&rst
ixpk= 2683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 363, 364,
igr2= 172, 173, 174, 176, 177, 178,
&end
#
# 3 LEU HA 123 LEU MDX 3.00 (# 2685:20 Unique 2.04, 4.57 A)
&rst
ixpk= 2685, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 123 LEU HB+ 123 LEU MDX 3.00 (# 2686:20 Unique 2.03, 3.35 A)
&rst
ixpk= 2686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1942,1943,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 123 LEU HG 123 LEU MDX 3.00 (# 2687:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2687, nxpk= 20, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 0 AMB 20-2:2693 0 AMB 20-1:2693 6.00 (# 2693:20 Double Ambig)
&rst
ixpk= 2693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1478,1479,1478,1479,
igr2=1464,1465,1464,1465,
&end
#
# 21 VAL MGX 26 LEU HG 3.00 (# 2697:20 Unique 2.01, 5.04 A)
&rst
ixpk= 2697, nxpk= 20, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 335, 336, 337, 339, 340, 341,
&end
#
# 33 LEU HB+ 33 LEU MDX 3.00 (# 2698:20 Unique 2.02, 3.39 A)
&rst
ixpk= 2698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 529, 530,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 136 LEU MDY 33 LEU MDX 4.00 (# 2699:20 Unique 1.94, 4.58 A)
&rst
ixpk= 2699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=2142,2143,2144,2146,2147,2148,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 126 PHE HB- 123 LEU MDX 4.00 (# 2700:20 Unique 2.01, 3.85 A)
&rst
ixpk= 2700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2002,2003,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 0 AMB 20-2:2701 123 LEU MDX 3.00 (# 2701:20 Single Ambig)
&rst
ixpk= 2701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 11, 12, 11, 12, 93, 94,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 1 MET HB+ 123 LEU MDX 3.00 (# 2702:20 Unique 2.08, 5.40 A)
&rst
ixpk= 2702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 8, 9,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 26 LEU HA 26 LEU HG 6.00 (# 2706:20 Unique 2.87, 3.36 A)
&rst
ixpk= 2706, nxpk= 20, iat= 417, 422, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 ILE QD1 39 ILE HG1+ 4.00 (# 2708:20 Unique 2.26, 2.67 A)
&rst
ixpk= 2708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 648, 649, 650,
igr2= 645, 646,
&end
#
# 82 LYS HA 17 LEU MDX 3.00 (# 2710:20 Unique 1.96, 2.85 A)
&rst
ixpk= 2710, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 283, 284, 285, 287, 288, 289,
&end
#
# 82 LYS HB- 17 LEU MDX 3.00 (# 2711:20 Unique 1.97, 4.39 A)
&rst
ixpk= 2711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1316,1317,
igr2= 283, 284, 285, 287, 288, 289,
&end
#
# 17 LEU HB- 17 LEU MDX 3.00 (# 2712:20 Unique 2.16, 3.48 A)
&rst
ixpk= 2712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 278, 279,
igr2= 283, 284, 285, 287, 288, 289,
&end
#
# 81 ILE QG2 17 LEU MDX 3.00 (# 2713:20 Unique 1.96, 5.08 A)
&rst
ixpk= 2713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1299,1300,1301,
igr2= 283, 284, 285, 287, 288, 289,
&end
#
# 141 ASN HA 144 LEU MDY 4.00 (# 2714:20 Unique 1.94, 4.40 A)
&rst
ixpk= 2714, nxpk= 20, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2292,2293,2294,2296,2297,2298,
&end
#
# 144 LEU HA 144 LEU MDY 4.00 (# 2715:20 Unique 2.04, 4.02 A)
&rst
ixpk= 2715, nxpk= 20, iat=2285, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2292,2293,2294,2296,2297,2298,
&end
#
# 61 GLN HB+ 144 LEU MDY 5.00 (# 2716:20 Unique 1.97, 3.87 A)
&rst
ixpk= 2716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 993, 994,
igr2=2292,2293,2294,2296,2297,2298,
&end
#
# 144 LEU HB+ 144 LEU MDY 3.00 (# 2717:20 Unique 1.94, 3.26 A)
&rst
ixpk= 2717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2287,2288,
igr2=2292,2293,2294,2296,2297,2298,
&end
#
# 0 AMB 20-2:2718 144 LEU MDY 3.00 (# 2718:20 Single Ambig)
&rst
ixpk= 2718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2290,1013,
igr2=2292,2293,2294,2296,2297,2298,
&end
#
# 144 LEU HB- 144 LEU MDY 3.00 (# 2719:20 Unique 1.94, 3.26 A)
&rst
ixpk= 2719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2287,2288,
igr2=2292,2293,2294,2296,2297,2298,
&end
#
# 143 VAL MGX 144 LEU MDY 5.00 (# 2721:20 Unique 2.05, 6.27 A)
&rst
ixpk= 2721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1=2273,2274,2275,2277,2278,2279,
igr2=2292,2293,2294,2296,2297,2298,
&end
#
# 136 LEU HA 136 LEU MDY 6.00 (# 2722:20 Unique 1.91, 3.50 A)
&rst
ixpk= 2722, nxpk= 20, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2142,2143,2144,2146,2147,2148,
&end
#
# 0 AMB 20-2:2723 136 LEU MDY 3.00 (# 2723:20 Single Ambig)
&rst
ixpk= 2723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=2022,2023,2137,2138,
igr2=2142,2143,2144,2146,2147,2148,
&end
#
# 0 AMB 20-2:2724 136 LEU MDY 3.00 (# 2724:20 Single Ambig)
&rst
ixpk= 2724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2193,2194,2137,2138,2140,
igr2=2142,2143,2144,2146,2147,2148,
&end
#
# 116 VAL MGX 136 LEU MDY 4.00 (# 2725:20 Unique 2.26, 6.23 A)
&rst
ixpk= 2725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1836,1837,1838,1840,1841,1842,
igr2=2142,2143,2144,2146,2147,2148,
&end
#
# 139 ARG HB+ 139 ARG HG- 5.00 (# 2727:20 Unique 2.27, 2.66 A)
&rst
ixpk= 2727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2193,2194,
igr2=2196,2197,
&end
#
# 39 ILE QG2 39 ILE HG1- 5.00 (# 2728:20 Unique 2.23, 3.54 A)
&rst
ixpk= 2728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 641, 642, 643,
igr2= 645, 646,
&end
#
# 39 ILE QD1 39 ILE HG1- 3.00 (# 2729:20 Unique 2.26, 2.67 A)
&rst
ixpk= 2729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 648, 649, 650,
igr2= 645, 646,
&end
#
# 77 ASP HB+ 80 LYS HG+ 5.00 (# 2730:20 Unique 1.91, 4.10 A)
&rst
ixpk= 2730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1242,1243,
igr2=1278,1279,
&end
#
# 39 ILE QD1 80 LYS HG- 4.00 (# 2731:20 Unique 2.32, 3.76 A)
&rst
ixpk= 2731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 648, 649, 650,
igr2=1278,1279,
&end
#
# 0 AMB 20-2:2734 0 AMB 20-1:2734 4.00 (# 2734:20 Double Ambig)
&rst
ixpk= 2734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2107,2108,2199,2200,
igr2=2104,2105,2196,2197,
&end
#
# 70 PRO HB- 76 LEU MDY 3.00 (# 2736:20 Unique 2.16, 5.03 A)
&rst
ixpk= 2736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1138,1139,
igr2=1228,1229,1230,1232,1233,1234,
&end
#
# 0 AMB 20-2:2737 17 LEU MDX 3.00 (# 2737:20 Single Ambig)
&rst
ixpk= 2737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1319,1320,1377,1378,1379, 278, 279, 281,
igr2= 283, 284, 285, 287, 288, 289,
&end
#
# 81 ILE QD1 17 LEU MDX 6.00 (# 2738:20 Unique 4.51, 7.77 A)
&rst
ixpk= 2738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1306,1307,1308,
igr2= 283, 284, 285, 287, 288, 289,
&end
#
# 133 MET ME 136 LEU MDY 4.00 (# 2740:20 Unique 1.95, 4.99 A)
&rst
ixpk= 2740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=2088,2089,2090,
igr2=2142,2143,2144,2146,2147,2148,
&end
#
# 139 ARG HB- 139 ARG HG- 5.00 (# 2743:20 Unique 2.27, 2.66 A)
&rst
ixpk= 2743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2193,2194,
igr2=2196,2197,
&end
#
# 36 PHE HB+ 113 ALA MB 3.00 (# 2751:20 Unique 2.05, 4.68 A)
&rst
ixpk= 2751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 584, 585,
igr2=1782,1783,1784,
&end
#
# 0 AMB 20-2:2752 0 AMB 20-1:2752 3.00 (# 2752:20 Double Ambig)
&rst
ixpk= 2752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1336, 637,
igr2=1319,1320, 728, 729,
&end
#
# 138 LYS HA 138 LYS HG+ 4.00 (# 2753:20 Unique 3.00, 3.75 A)
&rst
ixpk= 2753, nxpk= 20, iat=2169, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2174,2175,
&end
#
# 82 LYS HA 82 LYS HG+ 4.00 (# 2754:20 Unique 2.18, 3.13 A)
&rst
ixpk= 2754, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1319,1320,
&end
#
# 0 AMB 20-2:2755 0 AMB 20-1:2755 3.00 (# 2755:20 Double Ambig)
&rst
ixpk= 2755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2156,2157,1338,1339,
igr2=2174,2175,1319,1320,
&end
#
# 0 AMB 20-2:2756 0 AMB 20-1:2756 3.00 (# 2756:20 Double Ambig)
&rst
ixpk= 2756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1273,1375,
igr2=1278,1279,1319,1320,
&end
#
# 80 LYS HE- 80 LYS HG+ 3.00 (# 2757:20 Unique 2.03, 3.37 A)
&rst
ixpk= 2757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1284,1285,
igr2=1278,1279,
&end
#
# 0 AMB 20-2:2758 0 AMB 20-1:2758 3.00 (# 2758:20 Double Ambig)
&rst
ixpk= 2758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1275,1276,2171,2172,
igr2=1278,1279,2174,2175,
&end
#
# 0 AMB 20-2:2759 0 AMB 20-1:2759 3.00 (# 2759:20 Double Ambig)
&rst
ixpk= 2759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1322,1323,1281,1282,1281,1282,
igr2=1319,1320,1278,1279,1278,1279,
&end
#
# 82 LYS HA 82 LYS HG- 4.00 (# 2760:20 Unique 2.18, 3.13 A)
&rst
ixpk= 2760, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1319,1320,
&end
#
# 17 LEU MDY 82 LYS HG- 5.00 (# 2761:20 Unique 1.93, 4.52 A)
&rst
ixpk= 2761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 283, 284, 285, 287, 288, 289,
igr2=1319,1320,
&end
#
# 80 LYS HA 80 LYS HG- 3.00 (# 2762:20 Unique 3.33, 3.70 A)
&rst
ixpk= 2762, nxpk= 20, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1278,1279,
&end
#
# 0 AMB 20-2:2763 0 AMB 20-1:2763 4.00 (# 2763:20 Double Ambig)
&rst
ixpk= 2763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1242,1243,2199,2200,
igr2=1278,1279,2196,2197,
&end
#
# 138 LYS HA 138 LYS HG- 3.00 (# 2765:20 Unique 3.00, 3.75 A)
&rst
ixpk= 2765, nxpk= 20, iat=2169, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2174,2175,
&end
#
# 138 LYS HE+ 138 LYS HG- 3.00 (# 2766:20 Unique 1.97, 3.14 A)
&rst
ixpk= 2766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2180,2181,
igr2=2174,2175,
&end
#
# 138 LYS HB+ 138 LYS HG- 3.00 (# 2767:20 Unique 2.33, 2.62 A)
&rst
ixpk= 2767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2171,2172,
igr2=2174,2175,
&end
#
# 0 AMB 20-2:2772 0 AMB 20-1:2772 3.00 (# 2772:20 Double Ambig)
&rst
ixpk= 2772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1223,1224, 47, 48, 50,
igr2=1228,1229,1230,1232,1233,1234, 52, 53, 54, 56,
57, 58,
&end
#
# 76 LEU HG 76 LEU MDY 3.00 (# 2773:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2773, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1228,1229,1230,1232,1233,1234,
&end
#
# 111 VAL MGX 113 ALA MB 4.00 (# 2792:20 Unique 3.08, 6.45 A)
&rst
ixpk= 2792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1754,1755,1756,1758,1759,1760,
igr2=1782,1783,1784,
&end
#
# 0 AMB 20-2:2793 113 ALA MB 3.00 (# 2793:20 Single Ambig)
&rst
ixpk= 2793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1731,1732, 584, 585,
igr2=1782,1783,1784,
&end
#
# 2 LYS HA 2 LYS HG- 3.00 (# 2798:20 Unique 2.40, 3.58 A)
&rst
ixpk= 2798, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 28, 29,
&end
#
# 5 GLN HG+ 2 LYS HG- 5.00 (# 2799:20 Unique 2.20, 4.33 A)
&rst
ixpk= 2799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 93, 94,
igr2= 28, 29,
&end
#
# 80 LYS HE- 80 LYS HG- 3.00 (# 2802:20 Unique 2.03, 3.37 A)
&rst
ixpk= 2802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1284,1285,
igr2=1278,1279,
&end
#
# 0 AMB 20-2:2803 0 AMB 20-1:2803 3.00 (# 2803:20 Double Ambig)
&rst
ixpk= 2803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 25, 26,1275,1276,
igr2= 28, 29,1278,1279,
&end
#
# 0 AMB 20-2:2804 0 AMB 20-1:2804 4.00 (# 2804:20 Double Ambig)
&rst
ixpk= 2804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 69, 70,1367,1368,1369, 15, 16, 17,
igr2= 28, 29,1319,1320,
&end
#
# 5 GLN HG+ 2 LYS HG- 5.00 (# 2805:20 Unique 2.20, 4.33 A)
&rst
ixpk= 2805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 93, 94,
igr2= 28, 29,
&end
#
# 0 AMB 20-2:2806 138 LYS HG- 6.00 (# 2806:20 Single Ambig)
&rst
ixpk= 2806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2156,2157,2159,2160,
igr2=2174,2175,
&end
#
# 31 PRO HD+ 30 LYS HG+ 5.00 (# 2808:20 Unique 2.49, 4.01 A)
&rst
ixpk= 2808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 498, 499,
igr2= 482, 483,
&end
#
# 33 LEU HB+ 33 LEU MDY 4.00 (# 2809:20 Unique 2.02, 3.39 A)
&rst
ixpk= 2809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 529, 530,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 33 LEU HG 33 LEU MDY 3.00 (# 2810:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2810, nxpk= 20, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 0 AMB 20-2:2812 33 LEU MDY 3.00 (# 2812:20 Single Ambig)
&rst
ixpk= 2812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
1841,1842,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 57 LYS HB- 57 LYS HG- 3.00 (# 2814:20 Unique 2.26, 2.73 A)
&rst
ixpk= 2814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 921, 922,
igr2= 924, 925,
&end
#
# 3 LEU HA 3 LEU MDX 4.00 (# 2815:20 Unique 1.92, 3.88 A)
&rst
ixpk= 2815, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 3 LEU HB- 3 LEU MDX 3.00 (# 2816:20 Unique 2.18, 3.31 A)
&rst
ixpk= 2816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 47, 48,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 43 LEU HB- 112 PRO HG+ 3.00 (# 2826:20 Unique 1.96, 3.17 A)
&rst
ixpk= 2826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 696, 697,
igr2=1768,1769,
&end
#
# 35 HIS HB+ 33 LEU MDY 5.00 (# 2836:20 Unique 2.45, 5.31 A)
&rst
ixpk= 2836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 567, 568,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 35 HIS HB+ 33 LEU MDY 5.00 (# 2837:20 Unique 2.45, 5.31 A)
&rst
ixpk= 2837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 567, 568,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 114 TYR HB- 33 LEU MDY 3.00 (# 2838:20 Unique 2.06, 4.56 A)
&rst
ixpk= 2838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1792,1793,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 114 TYR HB+ 33 LEU MDY 4.00 (# 2839:20 Unique 2.06, 4.56 A)
&rst
ixpk= 2839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1792,1793,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 0 AMB 20-2:2840 33 LEU MDY 5.00 (# 2840:20 Single Ambig)
&rst
ixpk= 2840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1834, 548,2271,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 33 LEU HB- 33 LEU MDY 3.00 (# 2841:20 Unique 2.02, 3.39 A)
&rst
ixpk= 2841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 529, 530,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 136 LEU MDX 33 LEU MDY 3.00 (# 2842:20 Unique 1.94, 4.58 A)
&rst
ixpk= 2842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2142,2143,2144,2146,2147,2148,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 136 LEU MDY 33 LEU MDY 4.00 (# 2843:20 Unique 1.94, 4.58 A)
&rst
ixpk= 2843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=2142,2143,2144,2146,2147,2148,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 57 LYS HA 57 LYS HG- 3.00 (# 2844:20 Unique 2.29, 3.26 A)
&rst
ixpk= 2844, nxpk= 20, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 924, 925,
&end
#
# 57 LYS HE- 57 LYS HG- 3.00 (# 2845:20 Unique 2.02, 3.55 A)
&rst
ixpk= 2845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 930, 931,
igr2= 924, 925,
&end
#
# 57 LYS HA 57 LYS HG+ 4.00 (# 2852:20 Unique 2.29, 3.26 A)
&rst
ixpk= 2852, nxpk= 20, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 924, 925,
&end
#
# 0 AMB 20-2:2853 0 AMB 20-1:2853 3.00 (# 2853:20 Double Ambig)
&rst
ixpk= 2853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 921, 922, 927, 928,
igr2= 924, 925, 924, 925,
&end
#
# 57 LYS HE- 57 LYS HG+ 3.00 (# 2858:20 Unique 2.02, 3.55 A)
&rst
ixpk= 2858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 930, 931,
igr2= 924, 925,
&end
#
# 57 LYS HB- 57 LYS HG+ 3.00 (# 2859:20 Unique 2.26, 2.73 A)
&rst
ixpk= 2859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 921, 922,
igr2= 924, 925,
&end
#
# 67 VAL MGX 102 LEU MDY 3.00 (# 2860:20 Unique 2.08, 5.95 A)
&rst
ixpk= 2860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1087,1088,1089,1091,1092,1093,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 144 LEU HA 144 LEU MDX 3.00 (# 2865:20 Unique 2.04, 4.02 A)
&rst
ixpk= 2865, nxpk= 20, iat=2285, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2292,2293,2294,2296,2297,2298,
&end
#
# 144 LEU HB- 144 LEU MDX 3.00 (# 2866:20 Unique 1.94, 3.26 A)
&rst
ixpk= 2866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2287,2288,
igr2=2292,2293,2294,2296,2297,2298,
&end
#
# 3 LEU MDX 123 LEU MDY 6.00 (# 2867:20 Unique 1.99, 6.27 A)
&rst
ixpk= 2867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 52, 53, 54, 56, 57, 58,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 111 VAL HA 111 VAL MGX 3.00 (# 2870:20 Unique 2.17, 3.35 A)
&rst
ixpk= 2870, nxpk= 20, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1754,1755,1756,1758,1759,1760,
&end
#
# 0 AMB 20-2:2871 111 VAL MGX 4.00 (# 2871:20 Single Ambig)
&rst
ixpk= 2871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 584, 585,1155,1156,
igr2=1754,1755,1756,1758,1759,1760,
&end
#
# 36 PHE HB- 111 VAL MGX 3.00 (# 2872:20 Unique 1.92, 3.99 A)
&rst
ixpk= 2872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 584, 585,
igr2=1754,1755,1756,1758,1759,1760,
&end
#
# 0 AMB 20-2:2873 111 VAL MGX 3.00 (# 2873:20 Single Ambig)
&rst
ixpk= 2873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1752,1771,1772,
igr2=1754,1755,1756,1758,1759,1760,
&end
#
# 0 AMB 20-2:2874 111 VAL MGX 3.00 (# 2874:20 Single Ambig)
&rst
ixpk= 2874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1118,1119,1125,1126,1127,
igr2=1754,1755,1756,1758,1759,1760,
&end
#
# 0 AMB 20-2:2875 144 LEU MDX 3.00 (# 2875:20 Single Ambig)
&rst
ixpk= 2875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2231, 498, 499,
igr2=2292,2293,2294,2296,2297,2298,
&end
#
# 31 PRO HD- 144 LEU MDX 4.00 (# 2876:20 Unique 1.96, 4.72 A)
&rst
ixpk= 2876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 498, 499,
igr2=2292,2293,2294,2296,2297,2298,
&end
#
# 61 GLN HB+ 144 LEU MDX 3.00 (# 2877:20 Unique 1.97, 3.87 A)
&rst
ixpk= 2877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 993, 994,
igr2=2292,2293,2294,2296,2297,2298,
&end
#
# 102 LEU HG 102 LEU MDX 3.00 (# 2879:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2879, nxpk= 20, iat=1615, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 0 AMB 20-2:2880 102 LEU MDX 3.00 (# 2880:20 Single Ambig)
&rst
ixpk= 2880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 138, 139,1612,1613,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 0 AMB 20-2:2882 140 VAL MGX 5.00 (# 2882:20 Single Ambig)
&rst
ixpk= 2882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2159,2160,2156,2157,
igr2=2219,2220,2221,2223,2224,2225,
&end
#
# 123 LEU HA 123 LEU MDY 3.00 (# 2885:20 Unique 1.96, 3.67 A)
&rst
ixpk= 2885, nxpk= 20, iat=1940, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 115 TYR HB- 123 LEU MDY 5.00 (# 2886:20 Unique 1.94, 4.09 A)
&rst
ixpk= 2886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1813,1814,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 115 TYR HB+ 123 LEU MDY 4.00 (# 2887:20 Unique 1.94, 4.09 A)
&rst
ixpk= 2887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1813,1814,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 126 PHE HB- 123 LEU MDY 5.00 (# 2888:20 Unique 2.01, 3.85 A)
&rst
ixpk= 2888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2002,2003,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 123 LEU HB- 123 LEU MDY 3.00 (# 2889:20 Unique 2.03, 3.35 A)
&rst
ixpk= 2889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1942,1943,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 1 MET ME 123 LEU MDY 5.00 (# 2890:20 Unique 2.44, 5.98 A)
&rst
ixpk= 2890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 15, 16, 17,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 7 MET HB+ 123 LEU MDY 6.00 (# 2891:20 Unique 7.29, 9.72 A)
&rst
ixpk= 2891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 121, 122,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 123 LEU HG 123 LEU MDY 3.00 (# 2892:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2892, nxpk= 20, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 123 LEU HB+ 123 LEU MDY 3.00 (# 2894:20 Unique 2.03, 3.35 A)
&rst
ixpk= 2894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1942,1943,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 119 LYS HE+ 119 LYS HG- 4.00 (# 2899:20 Unique 1.99, 3.18 A)
&rst
ixpk= 2899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1891,1892,
igr2=1885,1886,
&end
#
# 66 ALA MB 51 VAL MGY 5.00 (# 2902:20 Unique 2.82, 5.15 A)
&rst
ixpk= 2902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1075,1076,1077,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 20-2:2903 144 LEU MDX 3.00 (# 2903:20 Single Ambig)
&rst
ixpk= 2903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 993, 994,1010,1011, 501, 502,
igr2=2292,2293,2294,2296,2297,2298,
&end
#
# 0 AMB 20-2:2904 144 LEU MDX 3.00 (# 2904:20 Single Ambig)
&rst
ixpk= 2904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2290,1013,
igr2=2292,2293,2294,2296,2297,2298,
&end
#
# 10 LEU HA 102 LEU MDX 3.00 (# 2905:20 Unique 1.95, 4.29 A)
&rst
ixpk= 2905, nxpk= 20, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 0 AMB 20-2:2906 102 LEU MDX 3.00 (# 2906:20 Single Ambig)
&rst
ixpk= 2906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1610,1583,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 0 AMB 20-2:2907 102 LEU MDX 3.00 (# 2907:20 Single Ambig)
&rst
ixpk= 2907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 15, 16, 17, 141, 142,1702,1703,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 140 VAL HA 140 VAL MGX 3.00 (# 2908:20 Unique 2.18, 3.18 A)
&rst
ixpk= 2908, nxpk= 20, iat=2215, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2219,2220,2221,2223,2224,2225,
&end
#
# 0 AMB 20-2:2909 140 VAL MGX 3.00 (# 2909:20 Single Ambig)
&rst
ixpk= 2909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2217,1010,1011,
igr2=2219,2220,2221,2223,2224,2225,
&end
#
# 136 LEU MDY 140 VAL MGX 6.00 (# 2912:20 Unique 1.93, 6.11 A)
&rst
ixpk= 2912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=2142,2143,2144,2146,2147,2148,
igr2=2219,2220,2221,2223,2224,2225,
&end
#
# 10 LEU HA 10 LEU MDY 3.00 (# 2913:20 Unique 1.94, 3.38 A)
&rst
ixpk= 2913, nxpk= 20, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 172, 173, 174, 176, 177, 178,
&end
#
# 10 LEU HB+ 10 LEU MDY 3.00 (# 2914:20 Unique 1.98, 3.46 A)
&rst
ixpk= 2914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 167, 168,
igr2= 172, 173, 174, 176, 177, 178,
&end
#
# 0 AMB 20-2:2915 10 LEU MDY 3.00 (# 2915:20 Single Ambig)
&rst
ixpk= 2915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 121, 122, 170,
igr2= 172, 173, 174, 176, 177, 178,
&end
#
# 0 AMB 20-2:2916 0 AMB 20-1:2916 3.00 (# 2916:20 Double Ambig)
&rst
ixpk= 2916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2196,2197, 138, 139,
igr2=2142,2143,2144,2146,2147,2148, 172, 173, 174, 176,
177, 178,
&end
#
# 102 LEU HG 10 LEU MDY 3.00 (# 2917:20 Unique 3.06, 5.59 A)
&rst
ixpk= 2917, nxpk= 20, iat=1615, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 172, 173, 174, 176, 177, 178,
&end
#
# 102 LEU MDY 10 LEU MDY 4.00 (# 2919:20 Unique 1.98, 5.09 A)
&rst
ixpk= 2919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1617,1618,1619,1621,1622,1623,
igr2= 172, 173, 174, 176, 177, 178,
&end
#
# 114 TYR HB+ 136 LEU MDX 5.00 (# 2920:20 Unique 1.90, 3.66 A)
&rst
ixpk= 2920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1792,1793,
igr2=2142,2143,2144,2146,2147,2148,
&end
#
# 0 AMB 20-2:2921 136 LEU MDX 3.00 (# 2921:20 Single Ambig)
&rst
ixpk= 2921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2193,2194,2137,2138,2140,
igr2=2142,2143,2144,2146,2147,2148,
&end
#
# 136 LEU HA 136 LEU MDX 3.00 (# 2922:20 Unique 1.91, 3.50 A)
&rst
ixpk= 2922, nxpk= 20, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2142,2143,2144,2146,2147,2148,
&end
#
# 114 TYR HB- 136 LEU MDX 4.00 (# 2923:20 Unique 1.90, 3.66 A)
&rst
ixpk= 2923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1792,1793,
igr2=2142,2143,2144,2146,2147,2148,
&end
#
# 135 MET ME 136 LEU MDX 4.00 (# 2924:20 Unique 1.94, 5.37 A)
&rst
ixpk= 2924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=2127,2128,2129,
igr2=2142,2143,2144,2146,2147,2148,
&end
#
# 0 AMB 20-2:2925 136 LEU MDX 3.00 (# 2925:20 Single Ambig)
&rst
ixpk= 2925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=2022,2023,2137,2138,
igr2=2142,2143,2144,2146,2147,2148,
&end
#
# 133 MET ME 136 LEU MDX 4.00 (# 2926:20 Unique 1.95, 4.99 A)
&rst
ixpk= 2926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=2088,2089,2090,
igr2=2142,2143,2144,2146,2147,2148,
&end
#
# 0 AMB 20-2:2934 43 LEU MDY 3.00 (# 2934:20 Single Ambig)
&rst
ixpk= 2934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2054,2055, 694,2072,2073,
igr2= 701, 702, 703, 705, 706, 707,
&end
#
# 0 AMB 20-2:2936 0 AMB 20-1:2936 3.00 (# 2936:20 Double Ambig)
&rst
ixpk= 2936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1765,1766, 818,
igr2= 701, 702, 703, 705, 706, 707, 822, 823, 824, 826,
827, 828,
&end
#
# 0 AMB 20-2:2937 0 AMB 20-1:2937 3.00 (# 2937:20 Double Ambig)
&rst
ixpk= 2937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 696, 697,2088,2089,2090,
igr2= 701, 702, 703, 705, 706, 707, 822, 823, 824, 826,
827, 828,
&end
#
# 31 PRO HB- 62 LEU MDX 4.00 (# 2941:20 Unique 2.60, 6.02 A)
&rst
ixpk= 2941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 504, 505,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 0 AMB 20-2:2942 62 LEU MDX 3.00 (# 2942:20 Single Ambig)
&rst
ixpk= 2942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1010,1011, 534, 535, 536, 538, 539, 540,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 45 LYS HD- 43 LEU MDY 3.00 (# 2949:20 Unique 6.40, 9.92 A)
&rst
ixpk= 2949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 731, 732,
igr2= 701, 702, 703, 705, 706, 707,
&end
#
# 43 LEU HB+ 43 LEU MDY 3.00 (# 2950:20 Unique 2.12, 3.38 A)
&rst
ixpk= 2950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 696, 697,
igr2= 701, 702, 703, 705, 706, 707,
&end
#
# 14 LYS HE+ 17 LEU MDY 4.00 (# 2951:20 Unique 5.45, 8.94 A)
&rst
ixpk= 2951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 231, 232,
igr2= 283, 284, 285, 287, 288, 289,
&end
#
# 14 LYS HB- 96 VAL MGX 3.00 (# 2953:20 Unique 1.92, 4.22 A)
&rst
ixpk= 2953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 222, 223,
igr2=1536,1537,1538,1540,1541,1542,
&end
#
# 0 AMB 20-2:2954 0 AMB 20-1:2954 4.00 (# 2954:20 Double Ambig)
&rst
ixpk= 2954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=1562,1563,1562,1563,
igr2=1228,1229,1230,1232,1233,1234,1536,1537,1538,1540,
1541,1542,
&end
#
# 0 AMB 20-2:2955 0 AMB 20-1:2955 6.00 (# 2955:20 Double Ambig)
&rst
ixpk= 2955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
igr1=1242,1243, 885, 886,1771,1772,
igr2=1228,1229,1230,1232,1233,1234, 822, 823, 824, 826,
827, 828, 701, 702, 703, 705, 706, 707,
&end
#
# 0 AMB 20-2:2956 0 AMB 20-1:2956 3.00 (# 2956:20 Double Ambig)
&rst
ixpk= 2956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 820, 747, 748,
igr2= 822, 823, 824, 826, 827, 828, 701, 702, 703, 705,
706, 707,
&end
#
# 0 AMB 20-2:2957 0 AMB 20-1:2957 3.00 (# 2957:20 Double Ambig)
&rst
ixpk= 2957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1223,1224, 696, 697,
igr2=1228,1229,1230,1232,1233,1234, 701, 702, 703, 705,
706, 707,
&end
#
# 51 VAL MGX 64 VAL MGY 5.00 (# 2962:20 Unique 2.54, 6.46 A)
&rst
ixpk= 2962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1= 822, 823, 824, 826, 827, 828,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 82 LYS HA 17 LEU MDY 5.00 (# 2963:20 Unique 1.96, 2.85 A)
&rst
ixpk= 2963, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 283, 284, 285, 287, 288, 289,
&end
#
# 0 AMB 20-2:2964 17 LEU MDY 3.00 (# 2964:20 Single Ambig)
&rst
ixpk= 2964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1322,1323,1431,
igr2= 283, 284, 285, 287, 288, 289,
&end
#
# 0 AMB 20-2:2965 17 LEU MDY 3.00 (# 2965:20 Single Ambig)
&rst
ixpk= 2965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1319,1320,1377,1378,1379, 278, 279, 281,
igr2= 283, 284, 285, 287, 288, 289,
&end
#
# 0 AMB 20-2:2967 96 VAL MGX 3.00 (# 2967:20 Single Ambig)
&rst
ixpk= 2967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1534,1254,1255,
igr2=1536,1537,1538,1540,1541,1542,
&end
#
# 84 THR HB 84 THR MG2 3.00 (# 2969:20 Unique 2.34, 2.69 A)
&rst
ixpk= 2969, nxpk= 20, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1355,1356,1357,
&end
#
# 84 THR HA 84 THR MG2 3.00 (# 2970:20 Unique 2.58, 3.40 A)
&rst
ixpk= 2970, nxpk= 20, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1355,1356,1357,
&end
#
# 39 ILE HA 84 THR MG2 4.00 (# 2971:20 Unique 3.83, 4.56 A)
&rst
ixpk= 2971, nxpk= 20, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1355,1356,1357,
&end
#
# 39 ILE HB 84 THR MG2 4.00 (# 2972:20 Unique 1.96, 2.71 A)
&rst
ixpk= 2972, nxpk= 20, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1355,1356,1357,
&end
#
# 39 ILE QG2 84 THR MG2 3.00 (# 2973:20 Unique 1.98, 3.98 A)
&rst
ixpk= 2973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 641, 642, 643,
igr2=1355,1356,1357,
&end
#
# 0 AMB 20-2:2977 128 ALA MB 5.00 (# 2977:20 Single Ambig)
&rst
ixpk= 2977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2022,2023,1719,1720,
igr2=2039,2040,2041,
&end
#
# 113 ALA MB 128 ALA MB 3.00 (# 2978:20 Unique 1.93, 3.77 A)
&rst
ixpk= 2978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1782,1783,1784,
igr2=2039,2040,2041,
&end
#
# 63 ASN HB+ 32 THR MG2 3.00 (# 2979:20 Unique 1.96, 3.64 A)
&rst
ixpk= 2979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1029,1030,
igr2= 517, 518, 519,
&end
#
# 0 AMB 20-2:2980 64 VAL MGY 6.00 (# 2980:20 Single Ambig)
&rst
ixpk= 2980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 885, 886,1464,1465,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 92 GLN HG+ 64 VAL MGY 3.00 (# 2981:20 Unique 1.94, 5.43 A)
&rst
ixpk= 2981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1467,1468,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 92 GLN HG+ 64 VAL MGY 3.00 (# 2982:20 Unique 1.94, 5.43 A)
&rst
ixpk= 2982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1467,1468,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 64 VAL HB 64 VAL MGY 3.00 (# 2983:20 Unique 2.23, 2.65 A)
&rst
ixpk= 2983, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 92 GLN HB- 64 VAL MGY 3.00 (# 2984:20 Unique 2.21, 4.78 A)
&rst
ixpk= 2984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1464,1465,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 0 AMB 20-2:2992 128 ALA MB 4.00 (# 2992:20 Single Ambig)
&rst
ixpk= 2992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=2020,2047,2048,
igr2=2039,2040,2041,
&end
#
# 110 TYR HB- 128 ALA MB 4.00 (# 2993:20 Unique 2.03, 4.01 A)
&rst
ixpk= 2993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1731,1732,
igr2=2039,2040,2041,
&end
#
# 110 TYR HB+ 128 ALA MB 3.00 (# 2994:20 Unique 2.03, 4.01 A)
&rst
ixpk= 2994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1731,1732,
igr2=2039,2040,2041,
&end
#
# 94 ILE HG1+ 66 ALA MB 3.00 (# 2995:20 Unique 1.90, 3.63 A)
&rst
ixpk= 2995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1501,1502,
igr2=1075,1076,1077,
&end
#
# 90 ILE QG2 66 ALA MB 4.00 (# 2997:20 Unique 3.06, 5.25 A)
&rst
ixpk= 2997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1433,1434,1435,
igr2=1075,1076,1077,
&end
#
# 120 THR HB 120 THR MG2 3.00 (# 2998:20 Unique 2.29, 2.69 A)
&rst
ixpk= 2998, nxpk= 20, iat=1904, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1906,1907,1908,
&end
#
# 0 AMB 20-2:2999 32 THR MG2 4.00 (# 2999:20 Single Ambig)
&rst
ixpk= 2999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 515, 361,
igr2= 517, 518, 519,
&end
#
# 63 ASN HB- 32 THR MG2 5.00 (# 3000:20 Unique 1.96, 3.64 A)
&rst
ixpk= 3000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1029,1030,
igr2= 517, 518, 519,
&end
#
# 34 ILE HG1+ 32 THR MG2 3.00 (# 3001:20 Unique 2.04, 3.39 A)
&rst
ixpk= 3001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 554, 555,
igr2= 517, 518, 519,
&end
#
# 26 LEU MDY 32 THR MG2 3.00 (# 3002:20 Unique 1.97, 4.22 A)
&rst
ixpk= 3002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 424, 425, 426, 428, 429, 430,
igr2= 517, 518, 519,
&end
#
# 103 THR HB 103 THR MG2 3.00 (# 3004:20 Unique 2.28, 2.69 A)
&rst
ixpk= 3004, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1633,1634,1635,
&end
#
# 143 VAL HA 143 VAL MGX 3.00 (# 3005:20 Unique 2.09, 3.39 A)
&rst
ixpk= 3005, nxpk= 20, iat=2269, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 140 VAL HA 143 VAL MGX 4.00 (# 3006:20 Unique 1.99, 4.62 A)
&rst
ixpk= 3006, nxpk= 20, iat=2215, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 0 AMB 20-2:3007 143 VAL MGX 5.00 (# 3007:20 Single Ambig)
&rst
ixpk= 3007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2199,2200,1870,1871,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 140 VAL MGY 143 VAL MGX 5.00 (# 3008:20 Unique 3.39, 7.00 A)
&rst
ixpk= 3008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1=2219,2220,2221,2223,2224,2225,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 33 LEU HB- 65 VAL MGX 5.00 (# 3010:20 Unique 4.77, 6.93 A)
&rst
ixpk= 3010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 529, 530,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 34 ILE HB 65 VAL MGX 4.00 (# 3011:20 Unique 3.82, 5.67 A)
&rst
ixpk= 3011, nxpk= 20, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 0 AMB 20-2:3012 65 VAL MGX 6.00 (# 3012:20 Single Ambig)
&rst
ixpk= 3012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 529, 530, 128, 129, 130,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 3 LEU HA 3 LEU MDY 3.00 (# 3015:20 Unique 1.92, 3.88 A)
&rst
ixpk= 3015, nxpk= 20, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 126 PHE HB- 3 LEU MDY 6.00 (# 3016:20 Unique 2.59, 6.33 A)
&rst
ixpk= 3016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2002,2003,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 126 PHE HB+ 3 LEU MDY 4.00 (# 3017:20 Unique 2.59, 6.33 A)
&rst
ixpk= 3017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2002,2003,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 0 AMB 20-2:3018 3 LEU MDY 5.00 (# 3018:20 Single Ambig)
&rst
ixpk= 3018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1985,1986,1928,1929,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 0 AMB 20-2:3019 3 LEU MDY 3.00 (# 3019:20 Single Ambig)
&rst
ixpk= 3019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 47, 48, 50,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 0 AMB 20-2:3020 3 LEU MDY 3.00 (# 3020:20 Single Ambig)
&rst
ixpk= 3020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 47, 48,1942,1943,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 123 LEU HG 3 LEU MDY 3.00 (# 3021:20 Unique 1.94, 4.41 A)
&rst
ixpk= 3021, nxpk= 20, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 123 LEU MDY 3 LEU MDY 3.00 (# 3023:20 Unique 1.99, 6.27 A)
&rst
ixpk= 3023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1947,1948,1949,1951,1952,1953,
igr2= 52, 53, 54, 56, 57, 58,
&end
#
# 0 AMB 20-2:3029 128 ALA MB 6.00 (# 3029:20 Single Ambig)
&rst
ixpk= 3029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=2022,2023,1771,1772,1768,1769, 8, 9,
igr2=2039,2040,2041,
&end
#
# 0 AMB 20-2:3030 128 ALA MB 4.00 (# 3030:20 Single Ambig)
&rst
ixpk= 3030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2022,2023,1719,1720,
igr2=2039,2040,2041,
&end
#
# 92 GLN HG+ 66 ALA MB 3.00 (# 3036:20 Unique 2.13, 4.75 A)
&rst
ixpk= 3036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1467,1468,
igr2=1075,1076,1077,
&end
#
# 0 AMB 20-2:3038 120 THR MG2 3.00 (# 3038:20 Single Ambig)
&rst
ixpk= 3038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1902,1923,
igr2=1906,1907,1908,
&end
#
# 0 AMB 20-2:3039 103 THR MG2 3.00 (# 3039:20 Single Ambig)
&rst
ixpk= 3039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1685,1629,
igr2=1633,1634,1635,
&end
#
# 69 MET HG+ 103 THR MG2 4.00 (# 3040:20 Unique 3.73, 7.34 A)
&rst
ixpk= 3040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1121,1122,
igr2=1633,1634,1635,
&end
#
# 0 AMB 20-2:3041 103 THR MG2 3.00 (# 3041:20 Single Ambig)
&rst
ixpk= 3041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1702,1703,1690,1691,
igr2=1633,1634,1635,
&end
#
# 69 MET ME 103 THR MG2 4.00 (# 3042:20 Unique 2.45, 5.67 A)
&rst
ixpk= 3042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1125,1126,1127,
igr2=1633,1634,1635,
&end
#
# 55 ARG HA 64 VAL MGX 3.00 (# 3043:20 Unique 1.93, 3.32 A)
&rst
ixpk= 3043, nxpk= 20, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 58 TYR HB+ 64 VAL MGX 5.00 (# 3044:20 Unique 1.89, 5.34 A)
&rst
ixpk= 3044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 943, 944,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 33 LEU HB+ 64 VAL MGX 4.00 (# 3045:20 Unique 2.73, 5.23 A)
&rst
ixpk= 3045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 529, 530,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 64 VAL HB 64 VAL MGX 3.00 (# 3047:20 Unique 2.23, 2.65 A)
&rst
ixpk= 3047, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 33 LEU HG 64 VAL MGX 4.00 (# 3048:20 Unique 3.31, 5.52 A)
&rst
ixpk= 3048, nxpk= 20, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 62 LEU HG 64 VAL MGX 3.00 (# 3049:20 Unique 1.99, 5.69 A)
&rst
ixpk= 3049, nxpk= 20, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 33 LEU HB- 64 VAL MGX 3.00 (# 3050:20 Unique 2.73, 5.23 A)
&rst
ixpk= 3050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 529, 530,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 62 LEU MDY 64 VAL MGX 3.00 (# 3051:20 Unique 1.92, 5.25 A)
&rst
ixpk= 3051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1015,1016,1017,1019,1020,1021,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 0 AMB 20-2:3052 143 VAL MGX 3.00 (# 3052:20 Single Ambig)
&rst
ixpk= 3052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2271,2316,2317,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 65 VAL HA 65 VAL MGX 3.00 (# 3053:20 Unique 2.48, 3.58 A)
&rst
ixpk= 3053, nxpk= 20, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 122 GLN HG- 120 THR MG2 4.00 (# 3066:20 Unique 1.97, 3.79 A)
&rst
ixpk= 3066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1928,1929,
igr2=1906,1907,1908,
&end
#
# 0 AMB 20-2:3067 22 THR MG2 4.00 (# 3067:20 Single Ambig)
&rst
ixpk= 3067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 390, 391, 402, 403,
igr2= 351, 352, 353,
&end
#
# 0 AMB 20-2:3070 64 VAL MGX 5.00 (# 3070:20 Single Ambig)
&rst
ixpk= 3070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 885, 886,1464,1465,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 0 AMB 20-2:3071 0 AMB 20-1:3071 3.00 (# 3071:20 Double Ambig)
&rst
ixpk= 3071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 554, 555, 501, 502, 504, 505,1059,
igr2=1061,1062,1063,1065,1066,1067,2273,2274,2275,2277,
2278,2279,
&end
#
# 124 ARG HB- 116 VAL MGX 6.00 (# 3073:20 Unique 2.20, 5.69 A)
&rst
ixpk= 3073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1961,1962,
igr2=1836,1837,1838,1840,1841,1842,
&end
#
# 26 LEU HA 26 LEU MDX 4.00 (# 3074:20 Unique 1.97, 4.23 A)
&rst
ixpk= 3074, nxpk= 20, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 424, 425, 426, 428, 429, 430,
&end
#
# 63 ASN HB- 26 LEU MDX 4.00 (# 3075:20 Unique 1.97, 4.34 A)
&rst
ixpk= 3075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1029,1030,
igr2= 424, 425, 426, 428, 429, 430,
&end
#
# 63 ASN HB+ 26 LEU MDX 3.00 (# 3076:20 Unique 1.97, 4.34 A)
&rst
ixpk= 3076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1029,1030,
igr2= 424, 425, 426, 428, 429, 430,
&end
#
# 0 AMB 20-2:3077 26 LEU MDX 3.00 (# 3077:20 Single Ambig)
&rst
ixpk= 3077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 422, 363, 364,
igr2= 424, 425, 426, 428, 429, 430,
&end
#
# 7 MET ME 26 LEU MDX 5.00 (# 3078:20 Unique 3.56, 7.38 A)
&rst
ixpk= 3078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 128, 129, 130,
igr2= 424, 425, 426, 428, 429, 430,
&end
#
# 32 THR MG2 26 LEU MDX 3.00 (# 3079:20 Unique 1.97, 4.22 A)
&rst
ixpk= 3079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 517, 518, 519,
igr2= 424, 425, 426, 428, 429, 430,
&end
#
# 67 VAL HA 67 VAL MGY 4.00 (# 3081:20 Unique 2.16, 3.20 A)
&rst
ixpk= 3081, nxpk= 20, iat=1083, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 102 LEU MDY 67 VAL MGY 4.00 (# 3082:20 Unique 2.08, 5.95 A)
&rst
ixpk= 3082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1617,1618,1619,1621,1622,1623,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 144 LEU HB+ 147 THR MG2 6.00 (# 3093:20 Unique 4.57, 7.31 A)
&rst
ixpk= 3093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2287,2288,
igr2=2333,2334,2335,
&end
#
# 147 THR HB 147 THR MG2 3.00 (# 3094:20 Unique 2.28, 2.69 A)
&rst
ixpk= 3094, nxpk= 20, iat=2331, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2333,2334,2335,
&end
#
# 0 AMB 20-2:3098 147 THR MG2 3.00 (# 3098:20 Single Ambig)
&rst
ixpk= 3098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1885,1886,1961,1962,
igr2=2333,2334,2335,
&end
#
# 22 THR HB 22 THR MG2 3.00 (# 3100:20 Unique 2.28, 2.69 A)
&rst
ixpk= 3100, nxpk= 20, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 351, 352, 353,
&end
#
# 91 THR HB 91 THR MG2 3.00 (# 3102:20 Unique 2.28, 2.69 A)
&rst
ixpk= 3102, nxpk= 20, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1452,1453,1454,
&end
#
# 91 THR HA 91 THR MG2 3.00 (# 3103:20 Unique 2.29, 3.16 A)
&rst
ixpk= 3103, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1452,1453,1454,
&end
#
# 118 ASP HA 143 VAL MGY 4.00 (# 3104:20 Unique 2.96, 4.82 A)
&rst
ixpk= 3104, nxpk= 20, iat=1868, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 144 LEU HA 143 VAL MGY 4.00 (# 3105:20 Unique 3.13, 4.93 A)
&rst
ixpk= 3105, nxpk= 20, iat=2285, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 0 AMB 20-2:3106 143 VAL MGY 4.00 (# 3106:20 Single Ambig)
&rst
ixpk= 3106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1964,1965,2250,2251,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 0 AMB 20-2:3107 143 VAL MGY 5.00 (# 3107:20 Single Ambig)
&rst
ixpk= 3107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1870,1871,1940,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 0 AMB 20-2:3108 143 VAL MGY 4.00 (# 3108:20 Single Ambig)
&rst
ixpk= 3108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=2199,2200,1870,1871,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 31 PRO HB- 143 VAL MGY 4.00 (# 3109:20 Unique 2.20, 4.02 A)
&rst
ixpk= 3109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 504, 505,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 0 AMB 20-2:3110 143 VAL MGY 4.00 (# 3110:20 Single Ambig)
&rst
ixpk= 3110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1961,1962,2193,2194,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 125 HIS HB- 116 VAL MGX 5.00 (# 3111:20 Unique 2.81, 5.77 A)
&rst
ixpk= 3111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1985,1986,
igr2=1836,1837,1838,1840,1841,1842,
&end
#
# 0 AMB 20-2:3112 0 AMB 20-1:3112 3.00 (# 3112:20 Double Ambig)
&rst
ixpk= 3112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1985,1986,1985,1986,
igr2=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
1841,1842,
&end
#
# 116 VAL HB 0 AMB 20-1:3113 3.00 (# 3113:20 Single Ambig)
&rst
ixpk= 3113, nxpk= 20, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
1841,1842,
&end
#
# 33 LEU MDY 116 VAL MGX 3.00 (# 3114:20 Unique 1.94, 5.92 A)
&rst
ixpk= 3114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 534, 535, 536, 538, 539, 540,
igr2=1836,1837,1838,1840,1841,1842,
&end
#
# 0 AMB 20-2:3116 0 AMB 20-1:3116 3.00 (# 3116:20 Double Ambig)
&rst
ixpk= 3116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2196,2197,2196,2197,
igr2=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
1841,1842,
&end
#
# 140 VAL MGY 0 AMB 20-1:3117 5.00 (# 3117:20 Single Ambig)
&rst
ixpk= 3117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.20, r4=10.70,
igr1=2219,2220,2221,2223,2224,2225,
igr2=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
1841,1842,
&end
#
# 124 ARG HB- 116 VAL MGY 4.00 (# 3118:20 Unique 2.20, 5.69 A)
&rst
ixpk= 3118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1961,1962,
igr2=1836,1837,1838,1840,1841,1842,
&end
#
# 139 ARG HB+ 116 VAL MGY 3.00 (# 3119:20 Unique 2.18, 5.12 A)
&rst
ixpk= 3119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2193,2194,
igr2=1836,1837,1838,1840,1841,1842,
&end
#
# 140 VAL MGY 116 VAL MGY 4.00 (# 3120:20 Unique 2.05, 6.79 A)
&rst
ixpk= 3120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=2219,2220,2221,2223,2224,2225,
igr2=1836,1837,1838,1840,1841,1842,
&end
#
# 21 VAL HA 21 VAL MGX 3.00 (# 3121:20 Unique 2.08, 3.46 A)
&rst
ixpk= 3121, nxpk= 20, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 335, 336, 337, 339, 340, 341,
&end
#
# 0 AMB 20-2:3122 0 AMB 20-1:3122 6.00 (# 3122:20 Double Ambig)
&rst
ixpk= 3122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 417, 400, 198, 199,
igr2= 335, 336, 337, 339, 340, 341,1536,1537,1538,1540,
1541,1542,
&end
#
# 0 AMB 20-2:3123 21 VAL MGX 6.00 (# 3123:20 Single Ambig)
&rst
ixpk= 3123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 309, 310, 417,
igr2= 335, 336, 337, 339, 340, 341,
&end
#
# 0 AMB 20-2:3124 0 AMB 20-1:3124 5.00 (# 3124:20 Double Ambig)
&rst
ixpk= 3124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 316, 254, 255,1514,1515,
igr2= 335, 336, 337, 339, 340, 341,1536,1537,1538,1540,
1541,1542,
&end
#
# 25 GLN HG+ 21 VAL MGX 6.00 (# 3126:20 Unique 2.51, 5.78 A)
&rst
ixpk= 3126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 405, 406,
igr2= 335, 336, 337, 339, 340, 341,
&end
#
# 0 AMB 20-2:3127 96 VAL MGY 4.00 (# 3127:20 Single Ambig)
&rst
ixpk= 3127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1135,1136,1316,1317,1138,1139,
igr2=1536,1537,1538,1540,1541,1542,
&end
#
# 0 AMB 20-2:3128 0 AMB 20-1:3128 3.00 (# 3128:20 Double Ambig)
&rst
ixpk= 3128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 422, 278, 279,
igr2= 335, 336, 337, 339, 340, 341,1536,1537,1538,1540,
1541,1542,
&end
#
# 0 AMB 20-2:3129 0 AMB 20-1:3129 3.00 (# 3129:20 Double Ambig)
&rst
ixpk= 3129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 222, 223, 333,
igr2=1536,1537,1538,1540,1541,1542, 335, 336, 337, 339,
340, 341,
&end
#
# 15 ALA MB 96 VAL MGY 4.00 (# 3130:20 Unique 1.95, 4.77 A)
&rst
ixpk= 3130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 244, 245, 246,
igr2=1536,1537,1538,1540,1541,1542,
&end
#
# 35 HIS HB+ 67 VAL MGY 5.00 (# 3134:20 Unique 5.71, 8.52 A)
&rst
ixpk= 3134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 567, 568,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 81 ILE QD1 96 VAL MGY 5.00 (# 3146:20 Unique 2.28, 5.40 A)
&rst
ixpk= 3146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1306,1307,1308,
igr2=1536,1537,1538,1540,1541,1542,
&end
#
# 33 LEU HB- 116 VAL MGY 4.00 (# 3158:20 Unique 1.98, 5.30 A)
&rst
ixpk= 3158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 529, 530,
igr2=1836,1837,1838,1840,1841,1842,
&end
#
# 81 ILE QG2 96 VAL MGY 4.00 (# 3159:20 Unique 2.08, 5.04 A)
&rst
ixpk= 3159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1299,1300,1301,
igr2=1536,1537,1538,1540,1541,1542,
&end
#
# 102 LEU MDX 11 THR MG2 6.00 (# 3175:20 Unique 3.62, 7.16 A)
&rst
ixpk= 3175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1617,1618,1619,1621,1622,1623,
igr2= 188, 189, 190,
&end
#
# 11 THR HB 11 THR MG2 3.00 (# 3176:20 Unique 2.28, 2.69 A)
&rst
ixpk= 3176, nxpk= 20, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 188, 189, 190,
&end
#
# 0 AMB 20-2:3184 65 VAL MGY 3.00 (# 3184:20 Single Ambig)
&rst
ixpk= 3184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 554, 555,1059,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 21 VAL HA 21 VAL MGY 4.00 (# 3185:20 Unique 2.08, 3.46 A)
&rst
ixpk= 3185, nxpk= 20, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 335, 336, 337, 339, 340, 341,
&end
#
# 65 VAL HB 21 VAL MGY 3.00 (# 3187:20 Unique 3.20, 6.04 A)
&rst
ixpk= 3187, nxpk= 20, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 335, 336, 337, 339, 340, 341,
&end
#
# 20 GLU HB- 21 VAL MGY 4.00 (# 3188:20 Unique 4.03, 6.69 A)
&rst
ixpk= 3188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 318, 319,
igr2= 335, 336, 337, 339, 340, 341,
&end
#
# 65 VAL MGX 21 VAL MGY 3.00 (# 3189:20 Unique 2.94, 6.94 A)
&rst
ixpk= 3189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1061,1062,1063,1065,1066,1067,
igr2= 335, 336, 337, 339, 340, 341,
&end
#
# 101 ALA MB 11 THR MG2 3.00 (# 3193:20 Unique 1.97, 2.99 A)
&rst
ixpk= 3193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1602,1603,1604,
igr2= 188, 189, 190,
&end
#
# 65 VAL HA 65 VAL MGY 3.00 (# 3194:20 Unique 2.48, 3.58 A)
&rst
ixpk= 3194, nxpk= 20, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 0 AMB 20-2:3196 65 VAL MGY 3.00 (# 3196:20 Single Ambig)
&rst
ixpk= 3196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 554, 555, 517, 518, 519,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 34 ILE QG2 65 VAL MGY 4.00 (# 3197:20 Unique 1.97, 4.51 A)
&rst
ixpk= 3197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 550, 551, 552,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 67 VAL MGX 65 VAL MGY 5.00 (# 3198:20 Unique 3.23, 7.69 A)
&rst
ixpk= 3198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1=1087,1088,1089,1091,1092,1093,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 47 ALA HA 47 ALA MB 3.00 (# 3208:20 Unique 2.25, 2.66 A)
&rst
ixpk= 3208, nxpk= 20, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 762, 763, 764,
&end
#
# 0 AMB 20-2:3209 47 ALA MB 5.00 (# 3209:20 Single Ambig)
&rst
ixpk= 3209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2079, 715, 716,
igr2= 762, 763, 764,
&end
#
# 0 AMB 20-2:3212 47 ALA MB 4.00 (# 3212:20 Single Ambig)
&rst
ixpk= 3212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 822, 823, 824, 826, 827, 828, 701, 702, 703, 705,
706, 707,
igr2= 762, 763, 764,
&end
#
# 0 AMB 20-2:3213 39 ILE QG2 3.00 (# 3213:20 Single Ambig)
&rst
ixpk= 3213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 637, 626,
igr2= 641, 642, 643,
&end
#
# 81 ILE HA 39 ILE QG2 3.00 (# 3214:20 Unique 2.16, 3.31 A)
&rst
ixpk= 3214, nxpk= 20, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 641, 642, 643,
&end
#
# 0 AMB 20-2:3215 39 ILE QG2 4.00 (# 3215:20 Single Ambig)
&rst
ixpk= 3215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1281,1282, 731, 732, 731, 732,
igr2= 641, 642, 643,
&end
#
# 0 AMB 20-2:3216 39 ILE QG2 3.00 (# 3216:20 Single Ambig)
&rst
ixpk= 3216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1355,1356,1357, 645, 646,
igr2= 641, 642, 643,
&end
#
# 81 ILE QG2 39 ILE QG2 4.00 (# 3217:20 Unique 1.95, 3.50 A)
&rst
ixpk= 3217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1299,1300,1301,
igr2= 641, 642, 643,
&end
#
# 81 ILE QD1 39 ILE QG2 5.00 (# 3218:20 Unique 3.28, 5.32 A)
&rst
ixpk= 3218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1306,1307,1308,
igr2= 641, 642, 643,
&end
#
# 48 MET HA 51 VAL MGX 6.00 (# 3219:20 Unique 2.20, 4.98 A)
&rst
ixpk= 3219, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 64 VAL MGY 51 VAL MGX 3.00 (# 3220:20 Unique 2.54, 6.46 A)
&rst
ixpk= 3220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1045,1046,1047,1049,1050,1051,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 12 GLY HA+ 101 ALA MB 5.00 (# 3222:20 Unique 5.50, 7.21 A)
&rst
ixpk= 3222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 198, 199,
igr2=1602,1603,1604,
&end
#
# 101 ALA HA 101 ALA MB 3.00 (# 3223:20 Unique 2.25, 2.66 A)
&rst
ixpk= 3223, nxpk= 20, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1602,1603,1604,
&end
#
# 80 LYS HB- 39 ILE QG2 6.00 (# 3225:20 Unique 5.65, 7.84 A)
&rst
ixpk= 3225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1275,1276,
igr2= 641, 642, 643,
&end
#
# 51 VAL HA 51 VAL MGX 3.00 (# 3227:20 Unique 1.98, 3.15 A)
&rst
ixpk= 3227, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 94 ILE QD1 51 VAL MGX 4.00 (# 3228:20 Unique 2.98, 6.77 A)
&rst
ixpk= 3228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1504,1505,1506,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 67 VAL HA 67 VAL MGX 4.00 (# 3229:20 Unique 2.16, 3.20 A)
&rst
ixpk= 3229, nxpk= 20, iat=1083, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 65 VAL MGY 67 VAL MGX 4.00 (# 3230:20 Unique 3.23, 7.69 A)
&rst
ixpk= 3230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1061,1062,1063,1065,1066,1067,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 34 ILE QG2 67 VAL MGX 3.00 (# 3231:20 Unique 2.03, 4.92 A)
&rst
ixpk= 3231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 550, 551, 552,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 145 ALA HA 145 ALA MB 3.00 (# 3253:20 Unique 2.30, 2.66 A)
&rst
ixpk= 3253, nxpk= 20, iat=2304, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2306,2307,2308,
&end
#
# 142 ARG HA 145 ALA MB 3.00 (# 3254:20 Unique 2.00, 3.52 A)
&rst
ixpk= 3254, nxpk= 20, iat=2245, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2306,2307,2308,
&end
#
# 0 AMB 20-2:3258 94 ILE QG2 4.00 (# 3258:20 Single Ambig)
&rst
ixpk= 3258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 281, 278, 279,
igr2=1497,1498,1499,
&end
#
# 81 ILE QG2 94 ILE QG2 4.00 (# 3259:20 Unique 4.61, 6.56 A)
&rst
ixpk= 3259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1299,1300,1301,
igr2=1497,1498,1499,
&end
#
# 111 VAL HA 111 VAL MGY 4.00 (# 3265:20 Unique 2.17, 3.35 A)
&rst
ixpk= 3265, nxpk= 20, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1754,1755,1756,1758,1759,1760,
&end
#
# 38 SER HB+ 111 VAL MGY 6.00 (# 3266:20 Unique 2.56, 5.47 A)
&rst
ixpk= 3266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 628, 629,
igr2=1754,1755,1756,1758,1759,1760,
&end
#
# 0 AMB 20-2:3267 111 VAL MGY 3.00 (# 3267:20 Single Ambig)
&rst
ixpk= 3267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 584, 585,1155,1156,
igr2=1754,1755,1756,1758,1759,1760,
&end
#
# 136 LEU HB- 133 MET ME 3.00 (# 3277:20 Unique 1.94, 3.64 A)
&rst
ixpk= 3277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2137,2138,
igr2=2088,2089,2090,
&end
#
# 136 LEU HB+ 133 MET ME 5.00 (# 3290:20 Unique 1.94, 3.64 A)
&rst
ixpk= 3290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2137,2138,
igr2=2088,2089,2090,
&end
#
# 136 LEU MDY 133 MET ME 3.00 (# 3293:20 Unique 1.95, 4.99 A)
&rst
ixpk= 3293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2142,2143,2144,2146,2147,2148,
igr2=2088,2089,2090,
&end
#
# 69 MET HG- 69 MET ME 3.00 (# 3302:20 Unique 2.01, 3.45 A)
&rst
ixpk= 3302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1121,1122,
igr2=1125,1126,1127,
&end
#
# 111 VAL MGX 69 MET ME 3.00 (# 3304:20 Unique 1.94, 4.68 A)
&rst
ixpk= 3304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1754,1755,1756,1758,1759,1760,
igr2=1125,1126,1127,
&end
#
# 0 AMB 20-2:3306 1 MET ME 3.00 (# 3306:20 Single Ambig)
&rst
ixpk= 3306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 6,1665,
igr2= 15, 16, 17,
&end
#
# 7 MET HA 1 MET ME 3.00 (# 3322:20 Unique 3.78, 6.04 A)
&rst
ixpk= 3322, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 15, 16, 17,
&end
#
# 0 AMB 20-2:3333 34 ILE QG2 3.00 (# 3333:20 Single Ambig)
&rst
ixpk= 3333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1617,1618,1619,1621,1622,1623, 424, 425, 426, 428,
429, 430,
igr2= 550, 551, 552,
&end
#
# 67 VAL MGX 34 ILE QG2 3.00 (# 3334:20 Unique 2.03, 4.92 A)
&rst
ixpk= 3334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1087,1088,1089,1091,1092,1093,
igr2= 550, 551, 552,
&end
#
# 0 AMB 20-2:3337 27 ILE QG2 6.00 (# 3337:20 Single Ambig)
&rst
ixpk= 3337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 507,1904,
igr2= 440, 441, 442,
&end
#
# 90 ILE HA 90 ILE QG2 4.00 (# 3339:20 Unique 1.98, 2.92 A)
&rst
ixpk= 3339, nxpk= 20, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1433,1434,1435,
&end
#
# 90 ILE HB 90 ILE QG2 3.00 (# 3340:20 Unique 2.21, 2.64 A)
&rst
ixpk= 3340, nxpk= 20, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1433,1434,1435,
&end
#
# 0 AMB 20-2:3341 90 ILE QG2 4.00 (# 3341:20 Single Ambig)
&rst
ixpk= 3341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 779, 780, 781,1437,1438,
igr2=1433,1434,1435,
&end
#
# 94 ILE QD1 90 ILE QG2 3.00 (# 3343:20 Unique 1.92, 4.12 A)
&rst
ixpk= 3343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1504,1505,1506,
igr2=1433,1434,1435,
&end
#
# 94 ILE HG1- 90 ILE QG2 3.00 (# 3344:20 Unique 1.92, 4.87 A)
&rst
ixpk= 3344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1501,1502,
igr2=1433,1434,1435,
&end
#
# 90 ILE QD1 90 ILE QG2 3.00 (# 3345:20 Unique 1.95, 3.61 A)
&rst
ixpk= 3345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1440,1441,1442,
igr2=1433,1434,1435,
&end
#
# 0 AMB 20-2:3349 27 ILE QG2 4.00 (# 3349:20 Single Ambig)
&rst
ixpk= 3349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 455, 456,1902,
igr2= 440, 441, 442,
&end
#
# 0 AMB 20-2:3350 27 ILE QG2 4.00 (# 3350:20 Single Ambig)
&rst
ixpk= 3350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1916,1917, 455, 456,
igr2= 440, 441, 442,
&end
#
# 27 ILE HB 27 ILE QG2 3.00 (# 3351:20 Unique 2.22, 2.64 A)
&rst
ixpk= 3351, nxpk= 20, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 440, 441, 442,
&end
#
# 27 ILE HG1+ 27 ILE QG2 3.00 (# 3352:20 Unique 2.45, 3.56 A)
&rst
ixpk= 3352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 444, 445,
igr2= 440, 441, 442,
&end
#
# 68 HIS HB+ 81 ILE QG2 5.00 (# 3353:20 Unique 2.25, 4.05 A)
&rst
ixpk= 3353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1101,1102,
igr2=1299,1300,1301,
&end
#
# 81 ILE HB 81 ILE QG2 3.00 (# 3354:20 Unique 2.22, 2.64 A)
&rst
ixpk= 3354, nxpk= 20, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1299,1300,1301,
&end
#
# 130 GLY HA+ 135 MET ME 5.00 (# 3355:20 Unique 2.10, 5.63 A)
&rst
ixpk= 3355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2054,2055,
igr2=2127,2128,2129,
&end
#
# 90 ILE HA 94 ILE QD1 5.00 (# 3369:20 Unique 2.73, 5.14 A)
&rst
ixpk= 3369, nxpk= 20, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1504,1505,1506,
&end
#
# 94 ILE HG1+ 94 ILE QD1 3.00 (# 3370:20 Unique 2.26, 2.67 A)
&rst
ixpk= 3370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1501,1502,
igr2=1504,1505,1506,
&end
#
# 94 ILE HB 94 ILE QD1 4.00 (# 3371:20 Unique 2.05, 3.01 A)
&rst
ixpk= 3371, nxpk= 20, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1504,1505,1506,
&end
#
# 39 ILE QG2 39 ILE QD1 3.00 (# 3375:20 Unique 1.97, 3.64 A)
&rst
ixpk= 3375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 641, 642, 643,
igr2= 648, 649, 650,
&end
#
# 32 THR HB 7 MET ME 4.00 (# 3377:20 Unique 2.00, 3.58 A)
&rst
ixpk= 3377, nxpk= 20, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 128, 129, 130,
&end
#
# 7 MET HG+ 7 MET ME 4.00 (# 3378:20 Unique 2.08, 3.45 A)
&rst
ixpk= 3378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 124, 125,
igr2= 128, 129, 130,
&end
#
# 23 ARG HB+ 7 MET ME 3.00 (# 3379:20 Unique 1.98, 4.13 A)
&rst
ixpk= 3379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 363, 364,
igr2= 128, 129, 130,
&end
#
# 80 LYS HB- 39 ILE QD1 3.00 (# 3383:20 Unique 3.96, 5.25 A)
&rst
ixpk= 3383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1275,1276,
igr2= 648, 649, 650,
&end
#
# 80 LYS HD- 39 ILE QD1 3.00 (# 3384:20 Unique 1.94, 2.89 A)
&rst
ixpk= 3384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1281,1282,
igr2= 648, 649, 650,
&end
#
# 39 ILE HG1+ 39 ILE QD1 3.00 (# 3385:20 Unique 2.26, 2.67 A)
&rst
ixpk= 3385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 645, 646,
igr2= 648, 649, 650,
&end
#
# 0 AMB 20-2:3388 48 MET ME 4.00 (# 3388:20 Single Ambig)
&rst
ixpk= 3388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 770,1400, 715, 716,
igr2= 779, 780, 781,
&end
#
# 49 PRO HD+ 48 MET ME 4.00 (# 3389:20 Unique 4.55, 6.11 A)
&rst
ixpk= 3389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 786, 787,
igr2= 779, 780, 781,
&end
#
# 45 LYS HA 48 MET ME 5.00 (# 3390:20 Unique 2.18, 4.76 A)
&rst
ixpk= 3390, nxpk= 20, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 779, 780, 781,
&end
#
# 0 AMB 20-2:3391 48 MET ME 4.00 (# 3391:20 Single Ambig)
&rst
ixpk= 3391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 715, 716, 604, 605,
igr2= 779, 780, 781,
&end
#
# 24 GLU HA 27 ILE QD1 5.00 (# 3396:20 Unique 3.03, 5.09 A)
&rst
ixpk= 3396, nxpk= 20, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 447, 448, 449,
&end
#
# 121 GLY HA+ 27 ILE QD1 4.00 (# 3397:20 Unique 1.94, 3.00 A)
&rst
ixpk= 3397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1916,1917,
igr2= 447, 448, 449,
&end
#
# 27 ILE HG1- 27 ILE QD1 3.00 (# 3399:20 Unique 2.26, 2.67 A)
&rst
ixpk= 3399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 444, 445,
igr2= 447, 448, 449,
&end
#
# 7 MET HG- 34 ILE QD1 4.00 (# 3418:20 Unique 2.10, 5.79 A)
&rst
ixpk= 3418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 124, 125,
igr2= 557, 558, 559,
&end
#
# 0 AMB 20-2:3419 90 ILE QD1 4.00 (# 3419:20 Single Ambig)
&rst
ixpk= 3419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1402,1403, 775, 776,
igr2=1440,1441,1442,
&end
#
# 0 AMB 20-2:3422 90 ILE QD1 3.00 (# 3422:20 Single Ambig)
&rst
ixpk= 3422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 779, 780, 781,1437,1438,
igr2=1440,1441,1442,
&end
#
# 0 AMB 20-2:3428 67 VAL MGY 5.00 (# 3428:20 Single Ambig)
&rst
ixpk= 3428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 548,1550,1551,1534,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 0 AMB 20-2:3434 143 VAL MGY 6.00 (# 3434:20 Single Ambig)
&rst
ixpk= 3434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2290,1013,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 140 VAL HA 116 VAL MGY 4.00 (# 3437:20 Unique 2.49, 4.63 A)
&rst
ixpk= 3437, nxpk= 20, iat=2215, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1836,1837,1838,1840,1841,1842,
&end
#
# 116 VAL HB 116 VAL MGY 3.00 (# 3438:20 Unique 2.23, 2.65 A)
&rst
ixpk= 3438, nxpk= 20, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1836,1837,1838,1840,1841,1842,
&end
#
# 0 AMB 20-2:3439 96 VAL MGY 3.00 (# 3439:20 Single Ambig)
&rst
ixpk= 3439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 278, 279, 281,
igr2=1536,1537,1538,1540,1541,1542,
&end
#
# 81 ILE QD1 96 VAL MGY 5.00 (# 3440:20 Unique 2.28, 5.40 A)
&rst
ixpk= 3440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1306,1307,1308,
igr2=1536,1537,1538,1540,1541,1542,
&end
#
# 96 VAL HA 96 VAL MGY 4.00 (# 3441:20 Unique 2.09, 3.27 A)
&rst
ixpk= 3441, nxpk= 20, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1536,1537,1538,1540,1541,1542,
&end
#
# 0 AMB 20-2:3442 96 VAL MGY 3.00 (# 3442:20 Single Ambig)
&rst
ixpk= 3442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1534,1254,1255,
igr2=1536,1537,1538,1540,1541,1542,
&end
#
# 140 VAL HA 140 VAL MGY 3.00 (# 3443:20 Unique 2.18, 3.18 A)
&rst
ixpk= 3443, nxpk= 20, iat=2215, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2219,2220,2221,2223,2224,2225,
&end
#
# 0 AMB 20-2:3444 140 VAL MGY 6.00 (# 3444:20 Single Ambig)
&rst
ixpk= 3444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=2159,2160,2156,2157,2271,
igr2=2219,2220,2221,2223,2224,2225,
&end
#
# 0 AMB 20-2:3445 140 VAL MGY 3.00 (# 3445:20 Single Ambig)
&rst
ixpk= 3445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2217,1010,1011,
igr2=2219,2220,2221,2223,2224,2225,
&end
#
# 0 AMB 20-2:3446 140 VAL MGY 4.00 (# 3446:20 Single Ambig)
&rst
ixpk= 3446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1013,2290,
igr2=2219,2220,2221,2223,2224,2225,
&end
#
# 33 LEU HB- 116 VAL MGY 4.00 (# 3453:20 Unique 1.98, 5.30 A)
&rst
ixpk= 3453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 529, 530,
igr2=1836,1837,1838,1840,1841,1842,
&end
#
# 81 ILE QG2 96 VAL MGY 4.00 (# 3454:20 Unique 2.08, 5.04 A)
&rst
ixpk= 3454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1299,1300,1301,
igr2=1536,1537,1538,1540,1541,1542,
&end
#
# 64 VAL MGY 140 VAL MGY 5.00 (# 3456:20 Unique 3.38, 6.75 A)
&rst
ixpk= 3456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1=1045,1046,1047,1049,1050,1051,
igr2=2219,2220,2221,2223,2224,2225,
&end
#
# 21 VAL HB 21 VAL MGY 3.00 (# 3469:20 Unique 2.23, 2.65 A)
&rst
ixpk= 3469, nxpk= 20, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 335, 336, 337, 339, 340, 341,
&end
#
# 102 LEU MDX 11 THR MG2 6.00 (# 3474:20 Unique 3.62, 7.16 A)
&rst
ixpk= 3474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1617,1618,1619,1621,1622,1623,
igr2= 188, 189, 190,
&end
#
# 11 THR HB 11 THR MG2 3.00 (# 3475:20 Unique 2.28, 2.69 A)
&rst
ixpk= 3475, nxpk= 20, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 188, 189, 190,
&end
#
# 9 GLU HG- 11 THR MG2 4.00 (# 3476:20 Unique 3.98, 5.55 A)
&rst
ixpk= 3476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 155, 156,
igr2= 188, 189, 190,
&end
#
# 9 GLU HB- 11 THR MG2 3.00 (# 3477:20 Unique 1.96, 3.69 A)
&rst
ixpk= 3477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 152, 153,
igr2= 188, 189, 190,
&end
#
# 9 GLU HB+ 11 THR MG2 3.00 (# 3478:20 Unique 1.96, 3.69 A)
&rst
ixpk= 3478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 152, 153,
igr2= 188, 189, 190,
&end
#
# 0 AMB 20-2:3484 65 VAL MGY 3.00 (# 3484:20 Single Ambig)
&rst
ixpk= 3484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 554, 555,1059,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 21 VAL HA 21 VAL MGY 4.00 (# 3485:20 Unique 2.08, 3.46 A)
&rst
ixpk= 3485, nxpk= 20, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 335, 336, 337, 339, 340, 341,
&end
#
# 65 VAL MGX 21 VAL MGY 3.00 (# 3489:20 Unique 2.94, 6.94 A)
&rst
ixpk= 3489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1061,1062,1063,1065,1066,1067,
igr2= 335, 336, 337, 339, 340, 341,
&end
#
# 101 ALA MB 11 THR MG2 3.00 (# 3493:20 Unique 1.97, 2.99 A)
&rst
ixpk= 3493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1602,1603,1604,
igr2= 188, 189, 190,
&end
#
# 65 VAL HA 65 VAL MGY 3.00 (# 3494:20 Unique 2.48, 3.58 A)
&rst
ixpk= 3494, nxpk= 20, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 0 AMB 20-2:3496 65 VAL MGY 3.00 (# 3496:20 Single Ambig)
&rst
ixpk= 3496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 554, 555, 517, 518, 519,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 34 ILE QG2 65 VAL MGY 4.00 (# 3497:20 Unique 1.97, 4.51 A)
&rst
ixpk= 3497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 550, 551, 552,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 67 VAL MGX 65 VAL MGY 5.00 (# 3498:20 Unique 3.23, 7.69 A)
&rst
ixpk= 3498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1=1087,1088,1089,1091,1092,1093,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 84 THR HB 39 ILE QG2 4.00 (# 3512:20 Unique 2.84, 4.23 A)
&rst
ixpk= 3512, nxpk= 20, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 641, 642, 643,
&end
#
# 39 ILE HB 39 ILE QG2 3.00 (# 3513:20 Unique 2.22, 2.64 A)
&rst
ixpk= 3513, nxpk= 20, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 641, 642, 643,
&end
#
# 39 ILE QD1 39 ILE QG2 3.00 (# 3515:20 Unique 1.97, 3.64 A)
&rst
ixpk= 3515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 648, 649, 650,
igr2= 641, 642, 643,
&end
#
# 81 ILE HG1- 39 ILE QG2 4.00 (# 3516:20 Unique 1.95, 3.66 A)
&rst
ixpk= 3516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1303,1304,
igr2= 641, 642, 643,
&end
#
# 0 AMB 20-2:3518 0 AMB 20-1:3518 4.00 (# 3518:20 Double Ambig)
&rst
ixpk= 3518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1645,1646,1771,1772,1573,1574,
igr2=1602,1603,1604, 762, 763, 764,
&end
#
# 80 LYS HB- 39 ILE QG2 6.00 (# 3521:20 Unique 5.65, 7.84 A)
&rst
ixpk= 3521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1275,1276,
igr2= 641, 642, 643,
&end
#
# 51 VAL HB 51 VAL MGX 3.00 (# 3525:20 Unique 2.23, 2.65 A)
&rst
ixpk= 3525, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 0 AMB 20-2:3528 67 VAL MGX 6.00 (# 3528:20 Single Ambig)
&rst
ixpk= 3528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1= 172, 173, 174, 176, 177, 178,1536,1537,1538,1540,
1541,1542,1497,1498,1499,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 67 VAL HB 67 VAL MGX 3.00 (# 3529:20 Unique 2.23, 2.65 A)
&rst
ixpk= 3529, nxpk= 20, iat=1085, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 68 HIS HB- 94 ILE QG2 5.00 (# 3556:20 Unique 2.43, 4.76 A)
&rst
ixpk= 3556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1101,1102,
igr2=1497,1498,1499,
&end
#
# 94 ILE HG1+ 94 ILE QG2 4.00 (# 3557:20 Unique 2.00, 3.48 A)
&rst
ixpk= 3557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1501,1502,
igr2=1497,1498,1499,
&end
#
# 68 HIS HB+ 94 ILE QG2 4.00 (# 3558:20 Unique 2.43, 4.76 A)
&rst
ixpk= 3558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1101,1102,
igr2=1497,1498,1499,
&end
#
# 94 ILE HB 94 ILE QG2 3.00 (# 3559:20 Unique 2.22, 2.64 A)
&rst
ixpk= 3559, nxpk= 20, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1497,1498,1499,
&end
#
# 17 LEU HB- 94 ILE QG2 4.00 (# 3560:20 Unique 2.97, 4.51 A)
&rst
ixpk= 3560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 278, 279,
igr2=1497,1498,1499,
&end
#
# 66 ALA MB 94 ILE QG2 4.00 (# 3561:20 Unique 1.93, 3.64 A)
&rst
ixpk= 3561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1075,1076,1077,
igr2=1497,1498,1499,
&end
#
# 38 SER HB- 111 VAL MGY 4.00 (# 3570:20 Unique 2.56, 5.47 A)
&rst
ixpk= 3570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 628, 629,
igr2=1754,1755,1756,1758,1759,1760,
&end
#
# 0 AMB 20-2:3571 111 VAL MGY 3.00 (# 3571:20 Single Ambig)
&rst
ixpk= 3571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1752,1771,1772,
igr2=1754,1755,1756,1758,1759,1760,
&end
#
# 0 AMB 20-2:3572 111 VAL MGY 3.00 (# 3572:20 Single Ambig)
&rst
ixpk= 3572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1118,1119,1125,1126,1127,
igr2=1754,1755,1756,1758,1759,1760,
&end
#
# 105 ALA HA 105 ALA MB 3.00 (# 3575:20 Unique 2.25, 2.66 A)
&rst
ixpk= 3575, nxpk= 20, iat=1655, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1657,1658,1659,
&end
#
# 17 LEU MDY 85 ALA MB 3.00 (# 3576:20 Unique 1.94, 4.63 A)
&rst
ixpk= 3576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 283, 284, 285, 287, 288, 289,
igr2=1367,1368,1369,
&end
#
# 90 ILE QG2 85 ALA MB 4.00 (# 3577:20 Unique 3.46, 5.98 A)
&rst
ixpk= 3577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1433,1434,1435,
igr2=1367,1368,1369,
&end
#
# 90 ILE QD1 85 ALA MB 4.00 (# 3578:20 Unique 1.93, 3.42 A)
&rst
ixpk= 3578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1440,1441,1442,
igr2=1367,1368,1369,
&end
#
# 0 AMB 20-2:3579 133 MET ME 4.00 (# 3579:20 Single Ambig)
&rst
ixpk= 3579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2159,2160, 803, 804,
igr2=2088,2089,2090,
&end
#
# 71 ARG HA 69 MET ME 4.00 (# 3584:20 Unique 2.18, 4.59 A)
&rst
ixpk= 3584, nxpk= 20, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1125,1126,1127,
&end
#
# 69 MET HG+ 69 MET ME 4.00 (# 3585:20 Unique 2.01, 3.45 A)
&rst
ixpk= 3585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1121,1122,
igr2=1125,1126,1127,
&end
#
# 71 ARG HG- 69 MET ME 3.00 (# 3586:20 Unique 1.99, 4.56 A)
&rst
ixpk= 3586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1152,1153,
igr2=1125,1126,1127,
&end
#
# 103 THR MG2 69 MET ME 4.00 (# 3588:20 Unique 2.45, 5.67 A)
&rst
ixpk= 3588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1633,1634,1635,
igr2=1125,1126,1127,
&end
#
# 0 AMB 20-2:3589 105 ALA MB 4.00 (# 3589:20 Single Ambig)
&rst
ixpk= 3589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1667,1668,1645,1646,
igr2=1657,1658,1659,
&end
#
# 8 PRO HG+ 105 ALA MB 4.00 (# 3590:20 Unique 2.50, 3.81 A)
&rst
ixpk= 3590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 138, 139,
igr2=1657,1658,1659,
&end
#
# 0 AMB 20-2:3591 85 ALA MB 3.00 (# 3591:20 Single Ambig)
&rst
ixpk= 3591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1365,1314,
igr2=1367,1368,1369,
&end
#
# 87 GLU HB- 86 ALA MB 5.00 (# 3592:20 Unique 4.21, 6.06 A)
&rst
ixpk= 3592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1387,1388,
igr2=1377,1378,1379,
&end
#
# 51 VAL HA 133 MET ME 5.00 (# 3593:20 Unique 3.26, 4.92 A)
&rst
ixpk= 3593, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2088,2089,2090,
&end
#
# 114 TYR HB+ 133 MET ME 5.00 (# 3594:20 Unique 4.58, 6.20 A)
&rst
ixpk= 3594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1792,1793,
igr2=2088,2089,2090,
&end
#
# 0 AMB 20-2:3595 133 MET ME 5.00 (# 3595:20 Single Ambig)
&rst
ixpk= 3595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2156,2157,2159,2160,
igr2=2088,2089,2090,
&end
#
# 136 LEU HB+ 133 MET ME 5.00 (# 3596:20 Unique 1.94, 3.64 A)
&rst
ixpk= 3596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2137,2138,
igr2=2088,2089,2090,
&end
#
# 51 VAL MGY 133 MET ME 3.00 (# 3597:20 Unique 2.49, 6.38 A)
&rst
ixpk= 3597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 822, 823, 824, 826, 827, 828,
igr2=2088,2089,2090,
&end
#
# 136 LEU MDX 133 MET ME 6.00 (# 3598:20 Unique 1.95, 4.99 A)
&rst
ixpk= 3598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=2142,2143,2144,2146,2147,2148,
igr2=2088,2089,2090,
&end
#
# 70 PRO HD- 69 MET ME 6.00 (# 3607:20 Unique 2.25, 5.22 A)
&rst
ixpk= 3607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1132,1133,
igr2=1125,1126,1127,
&end
#
# 71 ARG HD- 69 MET ME 4.00 (# 3608:20 Unique 2.74, 5.52 A)
&rst
ixpk= 3608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1155,1156,
igr2=1125,1126,1127,
&end
#
# 69 MET HG- 69 MET ME 3.00 (# 3609:20 Unique 2.01, 3.45 A)
&rst
ixpk= 3609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1121,1122,
igr2=1125,1126,1127,
&end
#
# 109 GLU HA 69 MET ME 6.00 (# 3610:20 Unique 3.41, 5.75 A)
&rst
ixpk= 3610, nxpk= 20, iat=1714, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1125,1126,1127,
&end
#
# 111 VAL MGX 69 MET ME 3.00 (# 3611:20 Unique 1.94, 4.68 A)
&rst
ixpk= 3611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1754,1755,1756,1758,1759,1760,
igr2=1125,1126,1127,
&end
#
# 0 AMB 20-2:3612 105 ALA MB 6.00 (# 3612:20 Single Ambig)
&rst
ixpk= 3612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1643, 88, 165,
igr2=1657,1658,1659,
&end
#
# 0 AMB 20-2:3613 1 MET ME 3.00 (# 3613:20 Single Ambig)
&rst
ixpk= 3613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 6,1665,
igr2= 15, 16, 17,
&end
#
# 8 PRO HD- 1 MET ME 3.00 (# 3614:20 Unique 2.32, 4.48 A)
&rst
ixpk= 3614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 135, 136,
igr2= 15, 16, 17,
&end
#
# 0 AMB 20-2:3615 0 AMB 20-1:3615 3.00 (# 3615:20 Double Ambig)
&rst
ixpk= 3615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 141, 142, 90, 91,
igr2=1657,1658,1659, 15, 16, 17,
&end
#
# 123 LEU MDX 1 MET ME 3.00 (# 3620:20 Unique 2.44, 5.98 A)
&rst
ixpk= 3620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1947,1948,1949,1951,1952,1953,
igr2= 15, 16, 17,
&end
#
# 123 LEU MDY 1 MET ME 4.00 (# 3621:20 Unique 2.44, 5.98 A)
&rst
ixpk= 3621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1947,1948,1949,1951,1952,1953,
igr2= 15, 16, 17,
&end
#
# 86 ALA HA 86 ALA MB 3.00 (# 3623:20 Unique 2.26, 2.66 A)
&rst
ixpk= 3623, nxpk= 20, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1377,1378,1379,
&end
#
# 87 GLU HG- 86 ALA MB 4.00 (# 3625:20 Unique 3.34, 5.33 A)
&rst
ixpk= 3625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1390,1391,
igr2=1377,1378,1379,
&end
#
# 7 MET HA 1 MET ME 3.00 (# 3633:20 Unique 3.78, 6.04 A)
&rst
ixpk= 3633, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 15, 16, 17,
&end
#
# 8 PRO HD+ 1 MET ME 3.00 (# 3634:20 Unique 2.32, 4.48 A)
&rst
ixpk= 3634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 135, 136,
igr2= 15, 16, 17,
&end
#
# 1 MET HG+ 1 MET ME 3.00 (# 3635:20 Unique 2.06, 3.52 A)
&rst
ixpk= 3635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 11, 12,
igr2= 15, 16, 17,
&end
#
# 0 AMB 20-2:3648 34 ILE QG2 3.00 (# 3648:20 Single Ambig)
&rst
ixpk= 3648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1617,1618,1619,1621,1622,1623, 424, 425, 426, 428,
429, 430,
igr2= 550, 551, 552,
&end
#
# 34 ILE HB 34 ILE QG2 3.00 (# 3649:20 Unique 2.21, 2.64 A)
&rst
ixpk= 3649, nxpk= 20, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 550, 551, 552,
&end
#
# 34 ILE HG1+ 34 ILE QG2 4.00 (# 3650:20 Unique 2.01, 3.46 A)
&rst
ixpk= 3650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 554, 555,
igr2= 550, 551, 552,
&end
#
# 34 ILE HG1- 34 ILE QG2 3.00 (# 3651:20 Unique 2.01, 3.46 A)
&rst
ixpk= 3651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 554, 555,
igr2= 550, 551, 552,
&end
#
# 0 AMB 20-2:3652 34 ILE QG2 3.00 (# 3652:20 Single Ambig)
&rst
ixpk= 3652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 172, 173, 174, 176, 177, 178, 557, 558, 559,
igr2= 550, 551, 552,
&end
#
# 67 VAL MGX 34 ILE QG2 3.00 (# 3654:20 Unique 2.03, 4.92 A)
&rst
ixpk= 3654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1087,1088,1089,1091,1092,1093,
igr2= 550, 551, 552,
&end
#
# 0 AMB 20-2:3657 34 ILE QG2 3.00 (# 3657:20 Single Ambig)
&rst
ixpk= 3657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1617,1618,1619,1621,1622,1623, 424, 425, 426, 428,
429, 430,
igr2= 550, 551, 552,
&end
#
# 0 AMB 20-2:3658 90 ILE QG2 5.00 (# 3658:20 Single Ambig)
&rst
ixpk= 3658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1467,1468, 772, 773,
igr2=1433,1434,1435,
&end
#
# 94 ILE QD1 90 ILE QG2 3.00 (# 3660:20 Unique 1.92, 4.12 A)
&rst
ixpk= 3660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1504,1505,1506,
igr2=1433,1434,1435,
&end
#
# 94 ILE HG1- 90 ILE QG2 3.00 (# 3661:20 Unique 1.92, 4.87 A)
&rst
ixpk= 3661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1501,1502,
igr2=1433,1434,1435,
&end
#
# 0 AMB 20-2:3662 81 ILE QG2 5.00 (# 3662:20 Single Ambig)
&rst
ixpk= 3662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1314,1365,
igr2=1299,1300,1301,
&end
#
# 81 ILE HG1- 81 ILE QG2 4.00 (# 3663:20 Unique 2.01, 3.43 A)
&rst
ixpk= 3663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1303,1304,
igr2=1299,1300,1301,
&end
#
# 116 VAL MGX 135 MET ME 5.00 (# 3664:20 Unique 4.98, 9.20 A)
&rst
ixpk= 3664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1836,1837,1838,1840,1841,1842,
igr2=2127,2128,2129,
&end
#
# 0 AMB 20-2:3670 27 ILE QG2 3.00 (# 3670:20 Single Ambig)
&rst
ixpk= 3670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 436,1916,1917,
igr2= 440, 441, 442,
&end
#
# 27 ILE HG1- 27 ILE QG2 3.00 (# 3671:20 Unique 2.45, 3.56 A)
&rst
ixpk= 3671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 444, 445,
igr2= 440, 441, 442,
&end
#
# 81 ILE HA 81 ILE QG2 4.00 (# 3672:20 Unique 2.32, 3.17 A)
&rst
ixpk= 3672, nxpk= 20, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1299,1300,1301,
&end
#
# 39 ILE QG2 81 ILE QG2 4.00 (# 3673:20 Unique 1.95, 3.50 A)
&rst
ixpk= 3673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 641, 642, 643,
igr2=1299,1300,1301,
&end
#
# 78 PRO HA 81 ILE QG2 5.00 (# 3674:20 Unique 3.92, 4.83 A)
&rst
ixpk= 3674, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1299,1300,1301,
&end
#
# 0 AMB 20-2:3675 81 ILE QG2 3.00 (# 3675:20 Single Ambig)
&rst
ixpk= 3675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 283, 284, 285, 287, 288, 289,1536,1537,1538,1540,
1541,1542,
igr2=1299,1300,1301,
&end
#
# 0 AMB 20-2:3678 135 MET ME 5.00 (# 3678:20 Single Ambig)
&rst
ixpk= 3678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2199,2200,2180,2181,
igr2=2127,2128,2129,
&end
#
# 95 PHE HB- 94 ILE QD1 6.00 (# 3699:20 Unique 7.62, 8.96 A)
&rst
ixpk= 3699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1514,1515,
igr2=1504,1505,1506,
&end
#
# 85 ALA MB 94 ILE QD1 3.00 (# 3700:20 Unique 2.89, 5.07 A)
&rst
ixpk= 3700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1367,1368,1369,
igr2=1504,1505,1506,
&end
#
# 66 ALA MB 94 ILE QD1 4.00 (# 3701:20 Unique 1.94, 4.58 A)
&rst
ixpk= 3701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1075,1076,1077,
igr2=1504,1505,1506,
&end
#
# 90 ILE QG2 94 ILE QD1 3.00 (# 3703:20 Unique 1.92, 4.12 A)
&rst
ixpk= 3703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1433,1434,1435,
igr2=1504,1505,1506,
&end
#
# 39 ILE QG2 39 ILE QD1 3.00 (# 3709:20 Unique 1.97, 3.64 A)
&rst
ixpk= 3709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 641, 642, 643,
igr2= 648, 649, 650,
&end
#
# 81 ILE HG1- 39 ILE QD1 6.00 (# 3710:20 Unique 1.97, 3.17 A)
&rst
ixpk= 3710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1303,1304,
igr2= 648, 649, 650,
&end
#
# 121 GLY HA+ 7 MET ME 5.00 (# 3713:20 Unique 1.91, 4.09 A)
&rst
ixpk= 3713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1916,1917,
igr2= 128, 129, 130,
&end
#
# 117 PHE HB- 7 MET ME 5.00 (# 3714:20 Unique 1.98, 3.44 A)
&rst
ixpk= 3714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1850,1851,
igr2= 128, 129, 130,
&end
#
# 117 PHE HB+ 7 MET ME 4.00 (# 3715:20 Unique 1.98, 3.44 A)
&rst
ixpk= 3715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1850,1851,
igr2= 128, 129, 130,
&end
#
# 23 ARG HG- 7 MET ME 3.00 (# 3716:20 Unique 1.90, 5.37 A)
&rst
ixpk= 3716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 366, 367,
igr2= 128, 129, 130,
&end
#
# 7 MET HB- 7 MET ME 4.00 (# 3717:20 Unique 1.88, 4.47 A)
&rst
ixpk= 3717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 121, 122,
igr2= 128, 129, 130,
&end
#
# 0 AMB 20-2:3720 7 MET ME 4.00 (# 3720:20 Single Ambig)
&rst
ixpk= 3720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 557, 558, 559, 172, 173, 174, 176, 177, 178,
igr2= 128, 129, 130,
&end
#
# 27 ILE QD1 7 MET ME 3.00 (# 3721:20 Unique 1.93, 4.22 A)
&rst
ixpk= 3721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 447, 448, 449,
igr2= 128, 129, 130,
&end
#
# 0 AMB 20-2:3725 39 ILE QD1 4.00 (# 3725:20 Single Ambig)
&rst
ixpk= 3725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 637, 658, 659,1173,1174,
igr2= 648, 649, 650,
&end
#
# 39 ILE HB 39 ILE QD1 3.00 (# 3726:20 Unique 2.28, 3.06 A)
&rst
ixpk= 3726, nxpk= 20, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 648, 649, 650,
&end
#
# 0 AMB 20-2:3727 39 ILE QD1 3.00 (# 3727:20 Single Ambig)
&rst
ixpk= 3727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1355,1356,1357, 645, 646,1278,1279,
igr2= 648, 649, 650,
&end
#
# 81 ILE HA 39 ILE QD1 5.00 (# 3729:20 Unique 2.05, 3.33 A)
&rst
ixpk= 3729, nxpk= 20, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 648, 649, 650,
&end
#
# 78 PRO HA 81 ILE QD1 3.00 (# 3730:20 Unique 1.91, 3.38 A)
&rst
ixpk= 3730, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1306,1307,1308,
&end
#
# 0 AMB 20-2:3731 81 ILE QD1 5.00 (# 3731:20 Single Ambig)
&rst
ixpk= 3731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1534,1254,1255,
igr2=1306,1307,1308,
&end
#
# 0 AMB 20-2:3732 81 ILE QD1 3.00 (# 3732:20 Single Ambig)
&rst
ixpk= 3732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1297,1278,1279,
igr2=1306,1307,1308,
&end
#
# 81 ILE HG1+ 81 ILE QD1 3.00 (# 3733:20 Unique 2.26, 2.67 A)
&rst
ixpk= 3733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1303,1304,
igr2=1306,1307,1308,
&end
#
# 96 VAL MGX 81 ILE QD1 3.00 (# 3734:20 Unique 2.28, 5.40 A)
&rst
ixpk= 3734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1536,1537,1538,1540,1541,1542,
igr2=1306,1307,1308,
&end
#
# 96 VAL MGY 81 ILE QD1 4.00 (# 3735:20 Unique 2.28, 5.40 A)
&rst
ixpk= 3735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1536,1537,1538,1540,1541,1542,
igr2=1306,1307,1308,
&end
#
# 81 ILE HG1- 81 ILE QD1 3.00 (# 3737:20 Unique 2.26, 2.67 A)
&rst
ixpk= 3737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1303,1304,
igr2=1306,1307,1308,
&end
#
# 48 MET HG+ 48 MET ME 4.00 (# 3741:20 Unique 2.04, 3.58 A)
&rst
ixpk= 3741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 775, 776,
igr2= 779, 780, 781,
&end
#
# 48 MET HB- 48 MET ME 3.00 (# 3742:20 Unique 1.93, 4.16 A)
&rst
ixpk= 3742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 772, 773,
igr2= 779, 780, 781,
&end
#
# 48 MET HB+ 48 MET ME 4.00 (# 3743:20 Unique 1.93, 4.16 A)
&rst
ixpk= 3743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 772, 773,
igr2= 779, 780, 781,
&end
#
# 90 ILE QD1 48 MET ME 3.00 (# 3746:20 Unique 1.97, 4.70 A)
&rst
ixpk= 3746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1440,1441,1442,
igr2= 779, 780, 781,
&end
#
# 121 GLY HA- 27 ILE QD1 3.00 (# 3751:20 Unique 1.94, 3.00 A)
&rst
ixpk= 3751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1916,1917,
igr2= 447, 448, 449,
&end
#
# 0 AMB 20-2:3752 27 ILE QD1 4.00 (# 3752:20 Single Ambig)
&rst
ixpk= 3752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 366, 367, 438,
igr2= 447, 448, 449,
&end
#
# 0 AMB 20-2:3753 27 ILE QD1 4.00 (# 3753:20 Single Ambig)
&rst
ixpk= 3753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 517, 518, 519,1906,1907,1908,
igr2= 447, 448, 449,
&end
#
# 27 ILE HG1+ 27 ILE QD1 3.00 (# 3754:20 Unique 2.26, 2.67 A)
&rst
ixpk= 3754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 444, 445,
igr2= 447, 448, 449,
&end
#
# 7 MET ME 34 ILE QD1 4.00 (# 3772:20 Unique 1.96, 4.18 A)
&rst
ixpk= 3772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 128, 129, 130,
igr2= 557, 558, 559,
&end
#
# 34 ILE HB 34 ILE QD1 3.00 (# 3773:20 Unique 1.97, 2.95 A)
&rst
ixpk= 3773, nxpk= 20, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 557, 558, 559,
&end
#
# 34 ILE HG1+ 34 ILE QD1 3.00 (# 3774:20 Unique 2.26, 2.67 A)
&rst
ixpk= 3774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 554, 555,
igr2= 557, 558, 559,
&end
#
# 0 AMB 20-2:3775 34 ILE QD1 6.00 (# 3775:20 Single Ambig)
&rst
ixpk= 3775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 170, 121, 122,
igr2= 557, 558, 559,
&end
#
# 0 AMB 20-2:3777 34 ILE QD1 3.00 (# 3777:20 Single Ambig)
&rst
ixpk= 3777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 517, 518, 519, 554, 555,
igr2= 557, 558, 559,
&end
#
# 10 LEU MDY 34 ILE QD1 4.00 (# 3778:20 Unique 1.98, 4.41 A)
&rst
ixpk= 3778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 172, 173, 174, 176, 177, 178,
igr2= 557, 558, 559,
&end
#
# 34 ILE QG2 34 ILE QD1 3.00 (# 3779:20 Unique 2.09, 3.88 A)
&rst
ixpk= 3779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 550, 551, 552,
igr2= 557, 558, 559,
&end
#
# 7 MET HG- 34 ILE QD1 4.00 (# 3780:20 Unique 2.10, 5.79 A)
&rst
ixpk= 3780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 124, 125,
igr2= 557, 558, 559,
&end
#
# 0 AMB 20-2:3781 90 ILE QD1 3.00 (# 3781:20 Single Ambig)
&rst
ixpk= 3781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1365,1429,
igr2=1440,1441,1442,
&end
#
# 90 ILE HB 90 ILE QD1 4.00 (# 3782:20 Unique 2.19, 3.22 A)
&rst
ixpk= 3782, nxpk= 20, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1440,1441,1442,
&end
#
# 85 ALA MB 90 ILE QD1 4.00 (# 3783:20 Unique 1.93, 3.42 A)
&rst
ixpk= 3783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1367,1368,1369,
igr2=1440,1441,1442,
&end
#
# 90 ILE HG1+ 90 ILE QD1 4.00 (# 3784:20 Unique 2.26, 2.67 A)
&rst
ixpk= 3784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1437,1438,
igr2=1440,1441,1442,
&end
#
# 90 ILE QG2 90 ILE QD1 3.00 (# 3785:20 Unique 1.95, 3.61 A)
&rst
ixpk= 3785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1433,1434,1435,
igr2=1440,1441,1442,
&end
#
# 108 ASN HB- 103 THR HB 6.00 (# 3794:20 Unique 2.95, 4.78 A)
&rst
ixpk= 3794, nxpk= 20, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1702,1703,
&end
#
# 0 AMB 20-2:3796 103 THR HB 5.00 (# 3796:20 Single Ambig)
&rst
ixpk= 3796, nxpk= 20, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1685,1629,
&end
#
# 0 AMB 20-2:3798 103 THR HA 6.00 (# 3798:20 Single Ambig)
&rst
ixpk= 3798, nxpk= 20, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1610,1583,
&end
#
# 108 ASN HN 103 THR HB 5.00 (# 3800:20 Unique 3.12, 3.88 A)
&rst
ixpk= 3800, nxpk= 20, iat=1698,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 THR HN 103 THR HB 6.00 (# 3801:20 Unique 2.56, 3.37 A)
&rst
ixpk= 3801, nxpk= 20, iat=1627,1631, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 THR HN 103 THR HA 6.00 (# 3802:20 Unique 2.73, 2.76 A)
&rst
ixpk= 3802, nxpk= 20, iat=1627,1629, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 143 VAL HN 140 VAL HA 5.00 (# 3803:20 Unique 3.28, 3.55 A)
&rst
ixpk= 3803, nxpk= 20, iat=2267,2215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 GLU HN 84 THR HA 5.00 (# 3804:20 Unique 3.09, 3.33 A)
&rst
ixpk= 3804, nxpk= 20, iat=1383,1351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 81 ILE QD1 0 AMB 20-1:3805 5.00 (# 3805:20 Single Ambig)
&rst
ixpk= 3805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1306,1307,1308,
igr2=1295, 628, 629,
&end
#
# 96 VAL HB 96 VAL HA 4.00 (# 3808:20 Unique 2.20, 2.80 A)
&rst
ixpk= 3808, nxpk= 20, iat=1534,1532, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 68 HIS HB- 96 VAL HA 4.00 (# 3809:20 Unique 1.93, 3.40 A)
&rst
ixpk= 3809, nxpk= 20, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1101,1102,
&end
#
# 33 LEU HN 64 VAL HA 5.00 (# 3810:20 Unique 3.04, 3.27 A)
&rst
ixpk= 3810, nxpk= 20, iat= 525,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 ILE HN 34 ILE HA 4.00 (# 3811:20 Unique 2.92, 2.94 A)
&rst
ixpk= 3811, nxpk= 20, iat= 544, 546, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 VAL HA 34 ILE HA 5.00 (# 3812:20 Unique 4.51, 4.85 A)
&rst
ixpk= 3812, nxpk= 20, iat=1041, 546, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 ILE HB 34 ILE HA 5.00 (# 3813:20 Unique 2.96, 2.99 A)
&rst
ixpk= 3813, nxpk= 20, iat= 548, 546, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 VAL MGX 34 ILE HA 4.00 (# 3814:20 Unique 1.94, 3.89 A)
&rst
ixpk= 3814, nxpk= 20, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1061,1062,1063,1065,1066,1067,
&end
#
# 5 GLN HN 6 PRO HD+ 5.00 (# 3815:20 Unique 2.33, 3.58 A)
&rst
ixpk= 3815, nxpk= 20, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 104, 105,
&end
#
# 58 TYR HB- 62 LEU HB- 4.00 (# 3816:20 Unique 1.95, 3.79 A)
&rst
ixpk= 3816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 943, 944,
igr2=1010,1011,
&end
#
# 58 TYR HB- 62 LEU HB+ 4.00 (# 3817:20 Unique 1.95, 3.79 A)
&rst
ixpk= 3817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 943, 944,
igr2=1010,1011,
&end
#
# 58 TYR HB+ 62 LEU HB- 4.00 (# 3818:20 Unique 1.95, 3.79 A)
&rst
ixpk= 3818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 943, 944,
igr2=1010,1011,
&end
#
# 58 TYR HB+ 62 LEU HB+ 6.00 (# 3819:20 Unique 1.95, 3.79 A)
&rst
ixpk= 3819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 943, 944,
igr2=1010,1011,
&end
#
# 62 LEU HA 62 LEU HB- 5.00 (# 3820:20 Unique 2.20, 2.63 A)
&rst
ixpk= 3820, nxpk= 20, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1010,1011,
&end
#
# 62 LEU HA 62 LEU HB+ 4.00 (# 3821:20 Unique 2.20, 2.63 A)
&rst
ixpk= 3821, nxpk= 20, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1010,1011,
&end
#
# 76 LEU HA 76 LEU HB+ 4.00 (# 3822:20 Unique 2.20, 2.68 A)
&rst
ixpk= 3822, nxpk= 20, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1223,1224,
&end
#
# 34 ILE HA 34 ILE HB 4.00 (# 3823:20 Unique 2.96, 2.99 A)
&rst
ixpk= 3823, nxpk= 20, iat= 546, 548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 GLU HA 27 ILE HB 4.00 (# 3824:20 Unique 2.68, 3.72 A)
&rst
ixpk= 3824, nxpk= 20, iat= 385, 438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 ASN HD2- 18 ASN HB- 5.00 (# 3825:20 Unique 2.10, 3.12 A)
&rst
ixpk= 3825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 302, 303,
igr2= 297, 298,
&end
#
# 81 ILE HN 81 ILE HG1- 6.00 (# 3826:20 Unique 1.90, 2.83 A)
&rst
ixpk= 3826, nxpk= 20, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1303,1304,
&end
#
# 82 LYS HN 81 ILE HG1- 6.00 (# 3827:20 Unique 4.15, 4.70 A)
&rst
ixpk= 3827, nxpk= 20, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1303,1304,
&end
#
# 81 ILE HA 81 ILE HG1- 6.00 (# 3828:20 Unique 2.23, 2.74 A)
&rst
ixpk= 3828, nxpk= 20, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1303,1304,
&end
#
# 39 ILE QD1 81 ILE HG1- 5.00 (# 3829:20 Unique 1.97, 3.17 A)
&rst
ixpk= 3829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 648, 649, 650,
igr2=1303,1304,
&end
#
# 39 ILE QG2 81 ILE HG1- 6.00 (# 3830:20 Unique 1.95, 3.66 A)
&rst
ixpk= 3830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 641, 642, 643,
igr2=1303,1304,
&end
#
# 81 ILE QG2 81 ILE HG1- 5.00 (# 3831:20 Unique 2.01, 3.43 A)
&rst
ixpk= 3831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1299,1300,1301,
igr2=1303,1304,
&end
#
# 92 GLN HN 92 GLN HB+ 6.00 (# 3832:20 Unique 2.09, 3.00 A)
&rst
ixpk= 3832, nxpk= 20, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1464,1465,
&end
#
# 39 ILE HN 39 ILE HG1- 5.00 (# 3834:20 Unique 2.37, 3.09 A)
&rst
ixpk= 3834, nxpk= 20, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 645, 646,
&end
#
# 39 ILE HN 39 ILE HG1+ 4.00 (# 3835:20 Unique 2.37, 3.09 A)
&rst
ixpk= 3835, nxpk= 20, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 645, 646,
&end
#
# 48 MET HN 48 MET ME 4.00 (# 3837:20 Unique 2.75, 4.67 A)
&rst
ixpk= 3837, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 779, 780, 781,
&end
#
# 0 AMB 20-2:3838 48 MET ME 5.00 (# 3838:20 Single Ambig)
&rst
ixpk= 3838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 610, 721,
igr2= 779, 780, 781,
&end
#
# 94 ILE HN 94 ILE QG2 5.00 (# 3840:20 Unique 4.37, 4.65 A)
&rst
ixpk= 3840, nxpk= 20, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1497,1498,1499,
&end
#
# 95 PHE HB- 67 VAL MGX 5.00 (# 3841:20 Unique 2.13, 5.14 A)
&rst
ixpk= 3841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1514,1515,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 95 PHE HB+ 67 VAL MGX 5.00 (# 3842:20 Unique 2.13, 5.14 A)
&rst
ixpk= 3842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1514,1515,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 66 ALA HA 67 VAL MGX 6.00 (# 3843:20 Unique 3.08, 5.32 A)
&rst
ixpk= 3843, nxpk= 20, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 36 PHE HA 67 VAL MGX 5.00 (# 3844:20 Unique 1.90, 4.51 A)
&rst
ixpk= 3844, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 68 HIS HN 67 VAL MGX 5.00 (# 3845:20 Unique 1.91, 4.31 A)
&rst
ixpk= 3845, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 92 GLN HE2+ 51 VAL MGX 5.00 (# 3846:20 Unique 1.91, 4.08 A)
&rst
ixpk= 3846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1472,1473,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 37 TRP HD1 51 VAL MGX 5.00 (# 3848:20 Unique 2.83, 5.01 A)
&rst
ixpk= 3848, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 52 ASN HA 51 VAL MGX 6.00 (# 3851:20 Unique 3.09, 5.50 A)
&rst
ixpk= 3851, nxpk= 20, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 822, 823, 824, 826, 827, 828,
&end
#
# 81 ILE HN 39 ILE QG2 5.00 (# 3853:20 Unique 4.46, 5.59 A)
&rst
ixpk= 3853, nxpk= 20, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 641, 642, 643,
&end
#
# 84 THR HN 39 ILE QG2 5.00 (# 3854:20 Unique 4.67, 5.89 A)
&rst
ixpk= 3854, nxpk= 20, iat=1349, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 641, 642, 643,
&end
#
# 85 ALA HN 39 ILE QG2 5.00 (# 3855:20 Unique 3.07, 4.39 A)
&rst
ixpk= 3855, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 641, 642, 643,
&end
#
# 0 AMB 20-2:3856 0 AMB 20-1:3856 5.00 (# 3856:20 Double Ambig)
&rst
ixpk= 3856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1= 715, 716, 604, 605,1573,1574,
igr2= 762, 763, 764,1602,1603,1604,
&end
#
# 0 AMB 20-2:3857 51 VAL HA 5.00 (# 3857:20 Single Ambig)
&rst
ixpk= 3857, nxpk= 20, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 803, 804,1467,1468,
&end
#
# 39 ILE QD1 0 AMB 20-1:3859 6.00 (# 3859:20 Single Ambig)
&rst
ixpk= 3859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 648, 649, 650,
igr2= 637,1173,1174,
&end
#
# 39 ILE HN 39 ILE HA 5.00 (# 3860:20 Unique 2.74, 2.84 A)
&rst
ixpk= 3860, nxpk= 20, iat= 635, 637, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 VAL MGY 78 PRO HA 5.00 (# 3861:20 Unique 3.30, 5.14 A)
&rst
ixpk= 3861, nxpk= 20, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1536,1537,1538,1540,1541,1542,
&end
#
# 96 VAL MGX 78 PRO HA 5.00 (# 3862:20 Unique 3.30, 5.14 A)
&rst
ixpk= 3862, nxpk= 20, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1536,1537,1538,1540,1541,1542,
&end
#
# 20 GLU HN 20 GLU HA 4.00 (# 3863:20 Unique 2.18, 2.80 A)
&rst
ixpk= 3863, nxpk= 20, iat= 314, 316, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 21 VAL MGY 20 GLU HA 6.00 (# 3864:20 Unique 3.03, 5.31 A)
&rst
ixpk= 3864, nxpk= 20, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 335, 336, 337, 339, 340, 341,
&end
#
# 0 AMB 20-2:3867 35 HIS HA 4.00 (# 3867:20 Single Ambig)
&rst
ixpk= 3867, nxpk= 20, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1796,1805, 608,
&end
#
# 0 AMB 20-2:3868 35 HIS HA 6.00 (# 3868:20 Single Ambig)
&rst
ixpk= 3868, nxpk= 20, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1778,2008,2012,
&end
#
# 35 HIS HN 35 HIS HA 4.00 (# 3869:20 Unique 2.89, 2.92 A)
&rst
ixpk= 3869, nxpk= 20, iat= 563, 565, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 LEU MDY 35 HIS HA 4.00 (# 3870:20 Unique 3.77, 5.92 A)
&rst
ixpk= 3870, nxpk= 20, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 534, 535, 536, 538, 539, 540,
&end
#
# 27 ILE HG1+ 121 GLY HA- 5.00 (# 3871:20 Unique 2.81, 4.47 A)
&rst
ixpk= 3871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 444, 445,
igr2=1916,1917,
&end
#
# 0 AMB 20-2:3872 0 AMB 20-1:3872 5.00 (# 3872:20 Double Ambig)
&rst
ixpk= 3872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 696, 697, 696, 697,
igr2=2054,2055,2072,2073,
&end
#
# 0 AMB 20-2:3873 0 AMB 20-1:3873 5.00 (# 3873:20 Double Ambig)
&rst
ixpk= 3873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 696, 697, 696, 697,
igr2=2054,2055,2072,2073,
&end
#
# 33 LEU HG 33 LEU HB+ 5.00 (# 3874:20 Unique 2.25, 2.62 A)
&rst
ixpk= 3874, nxpk= 20, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 529, 530,
&end
#
# 33 LEU HG 33 LEU HB- 5.00 (# 3875:20 Unique 2.25, 2.62 A)
&rst
ixpk= 3875, nxpk= 20, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 529, 530,
&end
#
# 33 LEU HN 33 LEU HB+ 4.00 (# 3876:20 Unique 2.41, 2.87 A)
&rst
ixpk= 3876, nxpk= 20, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 529, 530,
&end
#
# 33 LEU HN 33 LEU HB- 5.00 (# 3877:20 Unique 2.41, 2.87 A)
&rst
ixpk= 3877, nxpk= 20, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 529, 530,
&end
#
# 0 AMB 20-2:3878 0 AMB 20-1:3878 5.00 (# 3878:20 Double Ambig)
&rst
ixpk= 3878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.25, r4= 9.75,
igr1= 110, 111, 438, 366, 367,
igr2=1916,1917, 455, 456,1916,1917,1916,1917,
&end
#
# 17 LEU HN 17 LEU HB- 6.00 (# 3880:20 Unique 2.03, 2.91 A)
&rst
ixpk= 3880, nxpk= 20, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 278, 279,
&end
#
# 17 LEU HN 17 LEU HB+ 6.00 (# 3881:20 Unique 2.03, 2.91 A)
&rst
ixpk= 3881, nxpk= 20, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 278, 279,
&end
#
# 123 LEU MDY 126 PHE HB- 5.00 (# 3882:20 Unique 2.01, 3.85 A)
&rst
ixpk= 3882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1947,1948,1949,1951,1952,1953,
igr2=2002,2003,
&end
#
# 123 LEU MDY 126 PHE HB+ 4.00 (# 3883:20 Unique 2.01, 3.85 A)
&rst
ixpk= 3883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1947,1948,1949,1951,1952,1953,
igr2=2002,2003,
&end
#
# 0 AMB 20-2:3886 0 AMB 20-1:3886 6.00 (# 3886:20 Double Ambig)
&rst
ixpk= 3886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1238,1207,
igr2=1223,1224,1223,1224,
&end
#
# 0 AMB 20-2:3887 76 LEU HB- 6.00 (# 3887:20 Single Ambig)
&rst
ixpk= 3887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1238,1207,
igr2=1223,1224,
&end
#
# 102 LEU MDX 102 LEU HB- 4.00 (# 3888:20 Unique 2.00, 3.35 A)
&rst
ixpk= 3888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1617,1618,1619,1621,1622,1623,
igr2=1612,1613,
&end
#
# 102 LEU HA 102 LEU HB- 5.00 (# 3889:20 Unique 2.31, 2.78 A)
&rst
ixpk= 3889, nxpk= 20, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1612,1613,
&end
#
# 102 LEU HA 102 LEU HB+ 6.00 (# 3890:20 Unique 2.31, 2.78 A)
&rst
ixpk= 3890, nxpk= 20, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1612,1613,
&end
#
# 0 AMB 20-2:3891 102 LEU HB- 5.00 (# 3891:20 Single Ambig)
&rst
ixpk= 3891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1=1608,1617,1618,1619,1621,1622,1623,
igr2=1612,1613,
&end
#
# 0 AMB 20-2:3892 0 AMB 20-1:3892 6.00 (# 3892:20 Double Ambig)
&rst
ixpk= 3892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1608,1617,1618,1619,1621,1622,1623,
igr2=1612,1613,1612,1613,
&end
#
# 115 TYR HN 115 TYR HB- 5.00 (# 3893:20 Unique 2.14, 3.12 A)
&rst
ixpk= 3893, nxpk= 20, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1813,1814,
&end
#
# 115 TYR HA 115 TYR HB- 6.00 (# 3894:20 Unique 2.32, 2.73 A)
&rst
ixpk= 3894, nxpk= 20, iat=1811, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1813,1814,
&end
#
# 34 ILE HB 115 TYR HB- 4.00 (# 3895:20 Unique 2.69, 4.04 A)
&rst
ixpk= 3895, nxpk= 20, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1813,1814,
&end
#
# 0 AMB 20-2:3897 118 ASP HB- 5.00 (# 3897:20 Single Ambig)
&rst
ixpk= 3897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1866,1914,
igr2=1870,1871,
&end
#
# 0 AMB 20-2:3898 118 ASP HB- 4.00 (# 3898:20 Single Ambig)
&rst
ixpk= 3898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
igr2=1870,1871,
&end
#
# 61 GLN HB+ 58 TYR HB- 5.00 (# 3899:20 Unique 2.16, 4.88 A)
&rst
ixpk= 3899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 993, 994,
igr2= 943, 944,
&end
#
# 119 LYS HN 31 PRO HB- 4.00 (# 3902:20 Unique 2.61, 3.79 A)
&rst
ixpk= 3902, nxpk= 20, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 504, 505,
&end
#
# 67 VAL HA 67 VAL HB 5.00 (# 3903:20 Unique 2.48, 2.91 A)
&rst
ixpk= 3903, nxpk= 20, iat=1083,1085, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 68 HIS HN 67 VAL HB 6.00 (# 3904:20 Unique 3.26, 4.09 A)
&rst
ixpk= 3904, nxpk= 20, iat=1097,1085, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3905 81 ILE HG1- 4.00 (# 3905:20 Single Ambig)
&rst
ixpk= 3905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1278,1279, 645, 646,
igr2=1303,1304,
&end
#
# 92 GLN HE2+ 90 ILE QG2 5.00 (# 3906:20 Unique 1.99, 6.06 A)
&rst
ixpk= 3906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1472,1473,
igr2=1433,1434,1435,
&end
#
# 18 ASN HD2+ 90 ILE QG2 5.00 (# 3907:20 Unique 1.92, 5.70 A)
&rst
ixpk= 3907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 302, 303,
igr2=1433,1434,1435,
&end
#
# 0 AMB 20-2:3908 90 ILE QG2 5.00 (# 3908:20 Single Ambig)
&rst
ixpk= 3908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 608,1411,
igr2=1433,1434,1435,
&end
#
# 18 ASN HD2- 90 ILE QG2 6.00 (# 3909:20 Unique 1.92, 5.70 A)
&rst
ixpk= 3909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 302, 303,
igr2=1433,1434,1435,
&end
#
# 67 VAL MGX 34 ILE QG2 3.00 (# 3910:20 Unique 2.03, 4.92 A)
&rst
ixpk= 3910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1087,1088,1089,1091,1092,1093,
igr2= 550, 551, 552,
&end
#
# 0 AMB 20-2:3911 34 ILE QG2 5.00 (# 3911:20 Single Ambig)
&rst
ixpk= 3911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1813,1814, 567, 568,
igr2= 550, 551, 552,
&end
#
# 115 TYR HE 34 ILE QG2 5.00 (# 3912:20 Unique 1.92, 6.68 A)
&rst
ixpk= 3912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1819,1824,
igr2= 550, 551, 552,
&end
#
# 121 GLY HN 27 ILE QG2 5.00 (# 3914:20 Unique 2.17, 3.57 A)
&rst
ixpk= 3914, nxpk= 20, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 440, 441, 442,
&end
#
# 82 LYS HN 81 ILE QD1 4.00 (# 3915:20 Unique 3.58, 5.10 A)
&rst
ixpk= 3915, nxpk= 20, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1306,1307,1308,
&end
#
# 80 LYS HN 39 ILE QD1 5.00 (# 3916:20 Unique 4.92, 5.88 A)
&rst
ixpk= 3916, nxpk= 20, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 648, 649, 650,
&end
#
# 0 AMB 20-2:3918 81 ILE QD1 6.00 (# 3918:20 Single Ambig)
&rst
ixpk= 3918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1295, 628, 629,
igr2=1306,1307,1308,
&end
#
# 7 MET HA 7 MET ME 5.00 (# 3919:20 Unique 2.35, 4.26 A)
&rst
ixpk= 3919, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 128, 129, 130,
&end
#
# 121 GLY HA- 7 MET ME 5.00 (# 3920:20 Unique 1.91, 4.09 A)
&rst
ixpk= 3920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1916,1917,
igr2= 128, 129, 130,
&end
#
# 90 ILE HN 90 ILE QD1 5.00 (# 3921:20 Unique 2.00, 3.99 A)
&rst
ixpk= 3921, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1440,1441,1442,
&end
#
# 88 HIS HD2 90 ILE QD1 5.00 (# 3922:20 Unique 2.58, 4.36 A)
&rst
ixpk= 3922, nxpk= 20, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1440,1441,1442,
&end
#
# 0 AMB 20-2:3923 90 ILE QD1 5.00 (# 3923:20 Single Ambig)
&rst
ixpk= 3923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.66, r4= 9.16,
igr1=1504,1505,1506, 283, 284, 285, 287, 288, 289,
igr2=1440,1441,1442,
&end
#
# 0 AMB 20-2:3924 31 PRO HA 4.00 (# 3924:20 Single Ambig)
&rst
ixpk= 3924, nxpk= 20, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
&end
#
# 64 VAL HN 64 VAL HA 5.00 (# 3925:20 Unique 2.87, 2.92 A)
&rst
ixpk= 3925, nxpk= 20, iat=1039,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 THR HN 32 THR HA 6.00 (# 3926:20 Unique 2.94, 2.95 A)
&rst
ixpk= 3926, nxpk= 20, iat= 511, 513, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:3927 32 THR HA 6.00 (# 3927:20 Single Ambig)
&rst
ixpk= 3927, nxpk= 20, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 504, 505,1010,1011, 554, 555, 501, 502, 479, 480,
&end
#
# 64 VAL MGX 64 VAL HA 3.00 (# 3928:20 Unique 2.22, 3.13 A)
&rst
ixpk= 3928, nxpk= 20, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1045,1046,1047,1049,1050,1051,
&end
#
# 90 ILE HN 90 ILE HA 5.00 (# 3929:20 Unique 2.26, 2.64 A)
&rst
ixpk= 3929, nxpk= 20, iat=1427,1429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:3930 90 ILE HA 5.00 (# 3930:20 Single Ambig)
&rst
ixpk= 3930, nxpk= 20, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 302, 303, 846,
&end
#
# 91 THR MG2 90 ILE HA 5.00 (# 3931:20 Unique 3.06, 4.48 A)
&rst
ixpk= 3931, nxpk= 20, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1452,1453,1454,
&end
#
# 90 ILE HB 90 ILE HA 5.00 (# 3932:20 Unique 2.42, 2.66 A)
&rst
ixpk= 3932, nxpk= 20, iat=1431,1429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 90 ILE QD1 90 ILE HA 6.00 (# 3933:20 Unique 2.20, 4.76 A)
&rst
ixpk= 3933, nxpk= 20, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1440,1441,1442,
&end
#
# 0 AMB 20-2:3935 0 AMB 20-1:3935 6.00 (# 3935:20 Double Ambig)
&rst
ixpk= 3935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1850,1851, 231, 232,
igr2= 361,1314,
&end
#
# 86 ALA HN 82 LYS HA 5.00 (# 3936:20 Unique 3.70, 4.15 A)
&rst
ixpk= 3936, nxpk= 20, iat=1373,1314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 36 PHE HB+ 36 PHE HA 4.00 (# 3937:20 Unique 2.55, 2.90 A)
&rst
ixpk= 3937, nxpk= 20, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 584, 585,
&end
#
# 0 AMB 20-2:3938 36 PHE HA 6.00 (# 3938:20 Single Ambig)
&rst
ixpk= 3938, nxpk= 20, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1754,1755,1756,1758,1759,1760,1497,1498,1499,
&end
#
# 67 VAL MGX 36 PHE HA 6.00 (# 3939:20 Unique 1.90, 4.51 A)
&rst
ixpk= 3939, nxpk= 20, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1087,1088,1089,1091,1092,1093,
&end
#
# 67 VAL MGY 36 PHE HA 6.00 (# 3940:20 Unique 1.90, 4.51 A)
&rst
ixpk= 3940, nxpk= 20, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1087,1088,1089,1091,1092,1093,
&end
#
# 17 LEU HN 16 TRP HA 3.00 (# 3942:20 Unique 2.21, 2.24 A)
&rst
ixpk= 3942, nxpk= 20, iat= 274, 252, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 LEU HN 16 TRP HA 3.00 (# 3943:20 Unique 2.21, 2.24 A)
&rst
ixpk= 3943, nxpk= 20, iat= 274, 252, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 16 TRP HN 16 TRP HA 5.00 (# 3944:20 Unique 2.91, 2.93 A)
&rst
ixpk= 3944, nxpk= 20, iat= 250, 252, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 TRP HE3 16 TRP HA 4.00 (# 3945:20 Unique 3.44, 4.82 A)
&rst
ixpk= 3945, nxpk= 20, iat= 269, 252, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:3946 16 TRP HA 6.00 (# 3946:20 Single Ambig)
&rst
ixpk= 3946, nxpk= 20, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1514,1515, 278, 279,
&end
#
# 37 TRP HD1 36 PHE HA 5.00 (# 3948:20 Unique 3.95, 4.38 A)
&rst
ixpk= 3948, nxpk= 20, iat= 608, 582, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 ARG HN 117 PHE HA 4.00 (# 3950:20 Unique 2.10, 2.45 A)
&rst
ixpk= 3950, nxpk= 20, iat=1957,1848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:3951 117 PHE HA 5.00 (# 3951:20 Single Ambig)
&rst
ixpk= 3951, nxpk= 20, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1947,1948,1949,1951,1952,1953,1836,1837,1838,1840,
1841,1842,1836,1837,1838,1840,1841,1842,
&end
#
# 123 LEU MDY 117 PHE HA 6.00 (# 3952:20 Unique 3.20, 5.47 A)
&rst
ixpk= 3952, nxpk= 20, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1947,1948,1949,1951,1952,1953,
&end
#
# 123 LEU MDY 126 PHE HA 6.00 (# 3955:20 Unique 3.53, 5.39 A)
&rst
ixpk= 3955, nxpk= 20, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1947,1948,1949,1951,1952,1953,
&end
#
# 20 GLU HG- 20 GLU HA 6.00 (# 3956:20 Unique 1.96, 3.18 A)
&rst
ixpk= 3956, nxpk= 20, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 321, 322,
&end
#
# 0 AMB 20-2:3957 126 PHE HA 6.00 (# 3957:20 Single Ambig)
&rst
ixpk= 3957, nxpk= 20, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2022,2023, 50,
&end
#
# 82 LYS HB- 79 GLY HA- 4.00 (# 3958:20 Unique 3.37, 4.99 A)
&rst
ixpk= 3958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1316,1317,
igr2=1266,1267,
&end
#
# 33 LEU HA 33 LEU HB+ 6.00 (# 3959:20 Unique 2.25, 2.68 A)
&rst
ixpk= 3959, nxpk= 20, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 529, 530,
&end
#
# 33 LEU HA 33 LEU HB- 5.00 (# 3960:20 Unique 2.25, 2.68 A)
&rst
ixpk= 3960, nxpk= 20, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 529, 530,
&end
#
# 64 VAL HA 33 LEU HB- 6.00 (# 3961:20 Unique 2.53, 3.58 A)
&rst
ixpk= 3961, nxpk= 20, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 529, 530,
&end
#
# 124 ARG HG- 124 ARG HD+ 5.00 (# 3963:20 Unique 2.27, 2.75 A)
&rst
ixpk= 3963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1964,1965,
igr2=1967,1968,
&end
#
# 124 ARG HB- 124 ARG HD+ 5.00 (# 3964:20 Unique 2.36, 3.42 A)
&rst
ixpk= 3964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1961,1962,
igr2=1967,1968,
&end
#
# 0 AMB 20-2:3965 0 AMB 20-1:3965 5.00 (# 3965:20 Double Ambig)
&rst
ixpk= 3965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
2278,2279,
igr2=1967,1968,1967,1968,
&end
#
# 63 ASN HN 63 ASN HB- 5.00 (# 3967:20 Unique 2.34, 3.06 A)
&rst
ixpk= 3967, nxpk= 20, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1029,1030,
&end
#
# 136 LEU HN 136 LEU HB- 4.00 (# 3968:20 Unique 2.05, 2.57 A)
&rst
ixpk= 3968, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2137,2138,
&end
#
# 108 ASN HD2+ 108 ASN HB+ 4.00 (# 3969:20 Unique 2.15, 3.55 A)
&rst
ixpk= 3969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1707,1708,
igr2=1702,1703,
&end
#
# 108 ASN HD2+ 108 ASN HB- 5.00 (# 3970:20 Unique 2.15, 3.55 A)
&rst
ixpk= 3970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1707,1708,
igr2=1702,1703,
&end
#
# 0 AMB 20-2:3971 0 AMB 20-1:3971 6.00 (# 3971:20 Double Ambig)
&rst
ixpk= 3971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1039, 511,
igr2=1029,1030,1029,1030,
&end
#
# 124 ARG HG+ 118 ASP HB- 5.00 (# 3972:20 Unique 2.30, 4.26 A)
&rst
ixpk= 3972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1964,1965,
igr2=1870,1871,
&end
#
# 124 ARG HG- 118 ASP HB- 5.00 (# 3973:20 Unique 2.30, 4.26 A)
&rst
ixpk= 3973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1964,1965,
igr2=1870,1871,
&end
#
# 74 ASP HN 74 ASP HB+ 4.00 (# 3974:20 Unique 2.06, 2.95 A)
&rst
ixpk= 3974, nxpk= 20, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1199,1200,
&end
#
# 75 ASP HN 74 ASP HB+ 6.00 (# 3975:20 Unique 2.07, 2.87 A)
&rst
ixpk= 3975, nxpk= 20, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1199,1200,
&end
#
# 75 ASP HN 74 ASP HB- 6.00 (# 3976:20 Unique 2.07, 2.87 A)
&rst
ixpk= 3976, nxpk= 20, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1199,1200,
&end
#
# 63 ASN HD2+ 63 ASN HB- 6.00 (# 3977:20 Unique 2.10, 3.26 A)
&rst
ixpk= 3977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1034,1035,
igr2=1029,1030,
&end
#
# 63 ASN HD2+ 63 ASN HB+ 5.00 (# 3978:20 Unique 2.10, 3.26 A)
&rst
ixpk= 3978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1034,1035,
igr2=1029,1030,
&end
#
# 141 ASN HD2- 141 ASN HB- 4.00 (# 3980:20 Unique 2.12, 3.28 A)
&rst
ixpk= 3980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2238,2239,
igr2=2233,2234,
&end
#
# 61 GLN HB+ 58 TYR HB+ 5.00 (# 3981:20 Unique 2.16, 4.88 A)
&rst
ixpk= 3981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 993, 994,
igr2= 943, 944,
&end
#
# 62 LEU HB+ 58 TYR HB+ 5.00 (# 3982:20 Unique 1.95, 3.79 A)
&rst
ixpk= 3982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1010,1011,
igr2= 943, 944,
&end
#
# 62 LEU HB+ 58 TYR HB- 5.00 (# 3983:20 Unique 1.95, 3.79 A)
&rst
ixpk= 3983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1010,1011,
igr2= 943, 944,
&end
#
# 0 AMB 20-2:3984 54 PHE HB- 5.00 (# 3984:20 Single Ambig)
&rst
ixpk= 3984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 924, 925,2219,2220,2221,2223,2224,2225,
igr2= 865, 866,
&end
#
# 33 LEU MDX 54 PHE HB- 6.00 (# 3985:20 Unique 3.91, 7.37 A)
&rst
ixpk= 3985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 534, 535, 536, 538, 539, 540,
igr2= 865, 866,
&end
#
# 57 LYS HG- 54 PHE HB+ 6.00 (# 3986:20 Unique 3.35, 6.00 A)
&rst
ixpk= 3986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 924, 925,
igr2= 865, 866,
&end
#
# 0 AMB 20-2:3988 24 GLU HG- 5.00 (# 3988:20 Single Ambig)
&rst
ixpk= 3988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 398, 345,
igr2= 390, 391,
&end
#
# 25 GLN HN 24 GLU HG+ 5.00 (# 3989:20 Unique 2.48, 3.47 A)
&rst
ixpk= 3989, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 390, 391,
&end
#
# 94 ILE HN 18 ASN HB- 6.00 (# 3990:20 Unique 2.03, 3.51 A)
&rst
ixpk= 3990, nxpk= 20, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 297, 298,
&end
#
# 94 ILE HN 18 ASN HB+ 6.00 (# 3991:20 Unique 2.03, 3.51 A)
&rst
ixpk= 3991, nxpk= 20, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 297, 298,
&end
#
# 0 AMB 20-2:3992 0 AMB 20-1:3992 5.00 (# 3992:20 Double Ambig)
&rst
ixpk= 3992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 460, 453,
igr2= 467, 468, 467, 468,
&end
#
# 30 LYS HN 29 GLU HG+ 6.00 (# 3993:20 Unique 2.84, 3.99 A)
&rst
ixpk= 3993, nxpk= 20, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 467, 468,
&end
#
# 30 LYS HN 29 GLU HG- 6.00 (# 3994:20 Unique 2.84, 3.99 A)
&rst
ixpk= 3994, nxpk= 20, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 467, 468,
&end
#
# 37 TRP HA 37 TRP HB- 6.00 (# 3996:20 Unique 2.31, 2.65 A)
&rst
ixpk= 3996, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 604, 605,
&end
#
# 37 TRP HA 37 TRP HB+ 5.00 (# 3997:20 Unique 2.31, 2.65 A)
&rst
ixpk= 3997, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 604, 605,
&end
#
# 0 AMB 20-2:3998 0 AMB 20-1:3998 5.00 (# 3998:20 Double Ambig)
&rst
ixpk= 3998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1629,1685,
igr2=1585,1586,1585,1586,
&end
#
# 0 AMB 20-2:3999 100 HIS HB- 5.00 (# 3999:20 Single Ambig)
&rst
ixpk= 3999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1629,1685,
igr2=1585,1586,
&end
#
# 48 MET HN 48 MET HB+ 4.00 (# 4000:20 Unique 1.97, 2.83 A)
&rst
ixpk= 4000, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 772, 773,
&end
#
# 48 MET HA 48 MET HB+ 4.00 (# 4001:20 Unique 2.33, 2.81 A)
&rst
ixpk= 4001, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 772, 773,
&end
#
# 0 AMB 20-2:4002 48 MET HB- 4.00 (# 4002:20 Single Ambig)
&rst
ixpk= 4002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 786, 787, 723,
igr2= 772, 773,
&end
#
# 49 PRO HD+ 48 MET HB- 5.00 (# 4003:20 Unique 1.88, 3.26 A)
&rst
ixpk= 4003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 786, 787,
igr2= 772, 773,
&end
#
# 36 PHE HN 113 ALA MB 6.00 (# 4004:20 Unique 2.69, 4.27 A)
&rst
ixpk= 4004, nxpk= 20, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1782,1783,1784,
&end
#
# 92 GLN HA 92 GLN HB+ 5.00 (# 4005:20 Unique 2.30, 2.49 A)
&rst
ixpk= 4005, nxpk= 20, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1464,1465,
&end
#
# 0 AMB 20-2:4006 7 MET HA 5.00 (# 4006:20 Single Ambig)
&rst
ixpk= 4006, nxpk= 20, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 138, 139, 554, 555,
&end
#
# 92 GLN HN 91 THR HA 5.00 (# 4007:20 Unique 3.55, 3.62 A)
&rst
ixpk= 4007, nxpk= 20, iat=1460,1448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 139 ARG HG- 139 ARG HA 6.00 (# 4009:20 Unique 2.38, 3.15 A)
&rst
ixpk= 4009, nxpk= 20, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2196,2197,
&end
#
# 10 LEU HN 10 LEU HA 5.00 (# 4011:20 Unique 2.78, 2.85 A)
&rst
ixpk= 4011, nxpk= 20, iat= 163, 165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 LEU HB- 10 LEU HA 3.00 (# 4012:20 Unique 2.38, 2.78 A)
&rst
ixpk= 4012, nxpk= 20, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 167, 168,
&end
#
# 0 AMB 20-2:4013 10 LEU HA 5.00 (# 4013:20 Single Ambig)
&rst
ixpk= 4013, nxpk= 20, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 188, 189, 190, 351, 352, 353,1612,1613, 138, 139,
&end
#
# 0 AMB 20-2:4014 145 ALA HA 6.00 (# 4014:20 Single Ambig)
&rst
ixpk= 4014, nxpk= 20, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2316,2317,2271,
&end
#
# 51 VAL MGX 35 HIS HA 6.00 (# 4015:20 Unique 6.32, 8.41 A)
&rst
ixpk= 4015, nxpk= 20, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 822, 823, 824, 826, 827, 828,
&end
#
# 11 THR HN 11 THR HA 5.00 (# 4016:20 Unique 2.91, 2.92 A)
&rst
ixpk= 4016, nxpk= 20, iat= 182, 184, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 THR HN 11 THR HB 5.00 (# 4017:20 Unique 3.21, 3.37 A)
&rst
ixpk= 4017, nxpk= 20, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:4018 11 THR MG2 5.00 (# 4018:20 Single Ambig)
&rst
ixpk= 4018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 148,1581,
igr2= 188, 189, 190,
&end
#
# 0 AMB 20-2:4019 0 AMB 20-1:4019 4.00 (# 4019:20 Double Ambig)
&rst
ixpk= 4019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1602,1603,1604, 167, 168,
igr2= 198, 199, 198, 199,
&end
#
# 33 LEU HN 33 LEU HA 4.00 (# 4020:20 Unique 2.91, 2.93 A)
&rst
ixpk= 4020, nxpk= 20, iat= 525, 527, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 LEU HG 33 LEU HA 5.00 (# 4022:20 Unique 2.29, 3.34 A)
&rst
ixpk= 4022, nxpk= 20, iat= 532, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 ASN HD2- 18 ASN HB+ 5.00 (# 4024:20 Unique 2.10, 3.12 A)
&rst
ixpk= 4024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 302, 303,
igr2= 297, 298,
&end
#
# 18 ASN HD2+ 18 ASN HB- 4.00 (# 4025:20 Unique 2.10, 3.12 A)
&rst
ixpk= 4025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 302, 303,
igr2= 297, 298,
&end
#
# 0 AMB 20-2:4026 0 AMB 20-1:4026 4.00 (# 4026:20 Double Ambig)
&rst
ixpk= 4026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1514,1515, 316,
igr2= 318, 319, 318, 319,
&end
#
# 20 GLU HG- 20 GLU HB+ 4.00 (# 4027:20 Unique 2.26, 2.68 A)
&rst
ixpk= 4027, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 321, 322,
igr2= 318, 319,
&end
#
# 21 VAL HN 20 GLU HB+ 5.00 (# 4028:20 Unique 2.20, 3.77 A)
&rst
ixpk= 4028, nxpk= 20, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 318, 319,
&end
#
# 20 GLU HN 20 GLU HB- 4.00 (# 4029:20 Unique 2.07, 3.07 A)
&rst
ixpk= 4029, nxpk= 20, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 318, 319,
&end
#
# 17 LEU HN 96 VAL MGY 5.00 (# 4030:20 Unique 2.79, 5.66 A)
&rst
ixpk= 4030, nxpk= 20, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1536,1537,1538,1540,1541,1542,
&end
#
# 85 ALA MB 82 LYS HA 3.00 (# 4033:20 Unique 3.13, 4.15 A)
&rst
ixpk= 4033, nxpk= 20, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1367,1368,1369,
&end
#
# 0 AMB 20-2:4034 0 AMB 20-1:4034 3.00 (# 4034:20 Double Ambig)
&rst
ixpk= 4034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 283, 284, 285, 287, 288, 289, 172, 173, 174, 176,
177, 178,
igr2=1314, 361,
&end
#
# 24 GLU HG+ 24 GLU HA 4.00 (# 4035:20 Unique 3.54, 3.79 A)
&rst
ixpk= 4035, nxpk= 20, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 390, 391,
&end
#
# 65 VAL MGY 0 AMB 20-1:4036 4.00 (# 4036:20 Single Ambig)
&rst
ixpk= 4036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1061,1062,1063,1065,1066,1067,
igr2= 422,1464,1465,
&end
#
# 0 AMB 20-2:4037 26 LEU MDX 6.00 (# 4037:20 Single Ambig)
&rst
ixpk= 4037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 398, 345,
igr2= 424, 425, 426, 428, 429, 430,
&end
#
# 120 THR HA 27 ILE QD1 6.00 (# 4038:20 Unique 4.05, 5.82 A)
&rst
ixpk= 4038, nxpk= 20, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 447, 448, 449,
&end
#
# 26 LEU MDY 27 ILE HA 4.00 (# 4039:20 Unique 2.07, 6.74 A)
&rst
ixpk= 4039, nxpk= 20, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 424, 425, 426, 428, 429, 430,
&end
#
# 0 AMB 20-2:4040 30 LYS HA 4.00 (# 4040:20 Single Ambig)
&rst
ixpk= 4040, nxpk= 20, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1882,1883, 482, 483,
&end
#
# 0 AMB 20-2:4041 30 LYS HA 4.00 (# 4041:20 Single Ambig)
&rst
ixpk= 4041, nxpk= 20, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1882,1883, 482, 483,
&end
#
# 0 AMB 20-2:4042 30 LYS HA 4.00 (# 4042:20 Single Ambig)
&rst
ixpk= 4042, nxpk= 20, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1882,1883, 479, 480,
&end
#
# 31 PRO HD- 30 LYS HA 3.00 (# 4043:20 Unique 1.97, 2.45 A)
&rst
ixpk= 4043, nxpk= 20, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 498, 499,
&end
#
# 31 PRO HD+ 30 LYS HA 3.00 (# 4044:20 Unique 1.97, 2.45 A)
&rst
ixpk= 4044, nxpk= 20, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 498, 499,
&end
#
# 30 LYS HN 30 LYS HA 6.00 (# 4045:20 Unique 2.93, 2.93 A)
&rst
ixpk= 4045, nxpk= 20, iat= 475, 477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:4046 30 LYS HA 4.00 (# 4046:20 Single Ambig)
&rst
ixpk= 4046, nxpk= 20, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 479, 480,2345,2346,
&end
#
# 30 LYS HN 30 LYS HG+ 5.00 (# 4047:20 Unique 1.98, 3.55 A)
&rst
ixpk= 4047, nxpk= 20, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 482, 483,
&end
#
# 30 LYS HN 30 LYS HG+ 5.00 (# 4048:20 Unique 1.98, 3.55 A)
&rst
ixpk= 4048, nxpk= 20, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 482, 483,
&end
#
# 78 PRO HG- 78 PRO HD+ 3.00 (# 4049:20 Unique 2.30, 2.59 A)
&rst
ixpk= 4049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1254,1255,
igr2=1251,1252,
&end
#
# 117 PHE HN 33 LEU HA 5.00 (# 4050:20 Unique 3.06, 3.31 A)
&rst
ixpk= 4050, nxpk= 20, iat=1846, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 HIS HN 33 LEU MDX 5.00 (# 4051:20 Unique 2.79, 5.49 A)
&rst
ixpk= 4051, nxpk= 20, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 34 ILE HN 33 LEU MDX 5.00 (# 4052:20 Unique 1.93, 4.37 A)
&rst
ixpk= 4052, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 34 ILE HN 34 ILE QD1 6.00 (# 4053:20 Unique 2.47, 4.27 A)
&rst
ixpk= 4053, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 557, 558, 559,
&end
#
# 0 AMB 20-2:4054 34 ILE QD1 6.00 (# 4054:20 Single Ambig)
&rst
ixpk= 4054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 563,1055,
igr2= 557, 558, 559,
&end
#
# 54 PHE HE 35 HIS HB+ 5.00 (# 4056:20 Unique 4.45, 9.49 A)
&rst
ixpk= 4056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 871, 875,
igr2= 567, 568,
&end
#
# 37 TRP HD1 35 HIS HB- 4.00 (# 4058:20 Unique 3.43, 5.12 A)
&rst
ixpk= 4058, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 567, 568,
&end
#
# 37 TRP HN 37 TRP HA 5.00 (# 4059:20 Unique 2.92, 2.94 A)
&rst
ixpk= 4059, nxpk= 20, iat= 600, 602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:4060 37 TRP HA 6.00 (# 4060:20 Single Ambig)
&rst
ixpk= 4060, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1121,1122,1101,1102,
&end
#
# 111 VAL MGX 37 TRP HA 4.00 (# 4061:20 Unique 2.44, 5.28 A)
&rst
ixpk= 4061, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1754,1755,1756,1758,1759,1760,
&end
#
# 16 TRP HA 16 TRP HB+ 4.00 (# 4062:20 Unique 2.21, 2.62 A)
&rst
ixpk= 4062, nxpk= 20, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 254, 255,
&end
#
# 16 TRP HE3 16 TRP HB- 5.00 (# 4063:20 Unique 2.34, 3.00 A)
&rst
ixpk= 4063, nxpk= 20, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 254, 255,
&end
#
# 17 LEU HN 16 TRP HB- 6.00 (# 4065:20 Unique 2.90, 4.06 A)
&rst
ixpk= 4065, nxpk= 20, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 254, 255,
&end
#
# 17 LEU HN 16 TRP HB+ 6.00 (# 4066:20 Unique 2.90, 4.06 A)
&rst
ixpk= 4066, nxpk= 20, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 254, 255,
&end
#
# 16 TRP HN 16 TRP HB+ 5.00 (# 4067:20 Unique 2.20, 3.20 A)
&rst
ixpk= 4067, nxpk= 20, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 254, 255,
&end
#
# 38 SER HN 38 SER HA 5.00 (# 4068:20 Unique 2.85, 2.86 A)
&rst
ixpk= 4068, nxpk= 20, iat= 624, 626, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:4069 38 SER HB- 6.00 (# 4069:20 Single Ambig)
&rst
ixpk= 4069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 669, 670,1155,1156,1211,1212,
igr2= 628, 629,
&end
#
# 0 AMB 20-2:4070 38 SER HB- 6.00 (# 4070:20 Single Ambig)
&rst
ixpk= 4070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1149,1150,1118,1119,
igr2= 628, 629,
&end
#
# 111 VAL MGY 38 SER HB- 6.00 (# 4071:20 Unique 2.56, 5.47 A)
&rst
ixpk= 4071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1754,1755,1756,1758,1759,1760,
igr2= 628, 629,
&end
#
# 39 ILE HN 39 ILE HB 5.00 (# 4072:20 Unique 3.48, 3.53 A)
&rst
ixpk= 4072, nxpk= 20, iat= 635, 639, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 144 LEU HN 143 VAL HA 6.00 (# 4073:20 Unique 3.50, 3.56 A)
&rst
ixpk= 4073, nxpk= 20, iat=2283,2269, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 LYS HN 45 LYS HA 4.00 (# 4074:20 Unique 2.75, 2.82 A)
&rst
ixpk= 4074, nxpk= 20, iat= 721, 723, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 46 GLU HN 45 LYS HA 5.00 (# 4075:20 Unique 3.47, 3.51 A)
&rst
ixpk= 4075, nxpk= 20, iat= 743, 723, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 MET HN 45 LYS HA 5.00 (# 4076:20 Unique 2.97, 3.43 A)
&rst
ixpk= 4076, nxpk= 20, iat= 768, 723, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 MET ME 45 LYS HA 6.00 (# 4077:20 Unique 2.18, 4.76 A)
&rst
ixpk= 4077, nxpk= 20, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 779, 780, 781,
&end
#
# 52 ASN HD2+ 49 PRO HA 5.00 (# 4078:20 Unique 1.85, 3.11 A)
&rst
ixpk= 4078, nxpk= 20, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 841, 842,
&end
#
# 50 GLN HN 49 PRO HA 6.00 (# 4079:20 Unique 3.21, 3.32 A)
&rst
ixpk= 4079, nxpk= 20, iat= 799, 795, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:4080 49 PRO HA 6.00 (# 4080:20 Single Ambig)
&rst
ixpk= 4080, nxpk= 20, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 846, 861,
&end
#
# 52 ASN HN 49 PRO HA 5.00 (# 4081:20 Unique 3.73, 3.97 A)
&rst
ixpk= 4081, nxpk= 20, iat= 832, 795, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 PRO HD+ 49 PRO HB- 5.00 (# 4083:20 Unique 3.53, 3.89 A)
&rst
ixpk= 4083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 786, 787,
igr2= 792, 793,
&end
#
# 49 PRO HD- 49 PRO HB- 5.00 (# 4084:20 Unique 3.53, 3.89 A)
&rst
ixpk= 4084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 786, 787,
igr2= 792, 793,
&end
#
# 0 AMB 20-2:4085 0 AMB 20-1:4085 4.00 (# 4085:20 Double Ambig)
&rst
ixpk= 4085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1719,1720,1657,1658,1659, 15, 16, 17, 31, 32,
921, 922,
igr2=1665, 801,
&end
#
# 0 AMB 20-2:4086 50 GLN HA 4.00 (# 4086:20 Single Ambig)
&rst
ixpk= 4086, nxpk= 20, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 861, 846,
&end
#
# 88 HIS HN 87 GLU HG- 5.00 (# 4087:20 Unique 2.82, 5.11 A)
&rst
ixpk= 4087, nxpk= 20, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1390,1391,
&end
#
# 4 ARG HN 122 GLN HB+ 5.00 (# 4088:20 Unique 4.46, 6.11 A)
&rst
ixpk= 4088, nxpk= 20, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1925,1926,
&end
#
# 56 ASP HA 56 ASP HB+ 4.00 (# 4089:20 Unique 2.40, 2.81 A)
&rst
ixpk= 4089, nxpk= 20, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 909, 910,
&end
#
# 57 LYS HG- 57 LYS HA 3.00 (# 4090:20 Unique 2.29, 3.26 A)
&rst
ixpk= 4090, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 924, 925,
&end
#
# 57 LYS HN 57 LYS HG- 5.00 (# 4091:20 Unique 2.42, 4.01 A)
&rst
ixpk= 4091, nxpk= 20, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 924, 925,
&end
#
# 57 LYS HN 57 LYS HG+ 6.00 (# 4092:20 Unique 2.42, 4.01 A)
&rst
ixpk= 4092, nxpk= 20, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 924, 925,
&end
#
# 58 TYR HN 57 LYS HG- 6.00 (# 4093:20 Unique 2.07, 3.70 A)
&rst
ixpk= 4093, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 924, 925,
&end
#
# 58 TYR HN 57 LYS HG+ 6.00 (# 4094:20 Unique 2.07, 3.70 A)
&rst
ixpk= 4094, nxpk= 20, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 924, 925,
&end
#
# 57 LYS HA 57 LYS HD+ 6.00 (# 4095:20 Unique 2.22, 4.24 A)
&rst
ixpk= 4095, nxpk= 20, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 927, 928,
&end
#
# 57 LYS HA 57 LYS HD- 6.00 (# 4096:20 Unique 2.22, 4.24 A)
&rst
ixpk= 4096, nxpk= 20, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 927, 928,
&end
#
# 58 TYR HD 58 TYR HB+ 5.00 (# 4097:20 Unique 2.32, 3.08 A)
&rst
ixpk= 4097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 947, 956,
igr2= 943, 944,
&end
#
# 54 PHE HD 54 PHE HB+ 4.00 (# 4100:20 Unique 2.29, 3.06 A)
&rst
ixpk= 4100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 869, 877,
igr2= 865, 866,
&end
#
# 63 ASN HN 62 LEU HA 3.00 (# 4102:20 Unique 2.18, 2.25 A)
&rst
ixpk= 4102, nxpk= 20, iat=1025,1008, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 62 LEU MDX 62 LEU HA 3.00 (# 4103:20 Unique 1.96, 4.01 A)
&rst
ixpk= 4103, nxpk= 20, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1015,1016,1017,1019,1020,1021,
&end
#
# 62 LEU HB+ 62 LEU HA 3.00 (# 4104:20 Unique 2.20, 2.63 A)
&rst
ixpk= 4104, nxpk= 20, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1010,1011,
&end
#
# 62 LEU HA 62 LEU MDX 3.00 (# 4105:20 Unique 1.96, 4.01 A)
&rst
ixpk= 4105, nxpk= 20, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 63 ASN HN 62 LEU MDY 5.00 (# 4106:20 Unique 1.96, 4.03 A)
&rst
ixpk= 4106, nxpk= 20, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 62 LEU HN 62 LEU MDY 5.00 (# 4107:20 Unique 3.09, 5.04 A)
&rst
ixpk= 4107, nxpk= 20, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 62 LEU HA 62 LEU MDY 5.00 (# 4108:20 Unique 1.96, 4.01 A)
&rst
ixpk= 4108, nxpk= 20, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1015,1016,1017,1019,1020,1021,
&end
#
# 0 AMB 20-2:4109 64 VAL HB 6.00 (# 4109:20 Single Ambig)
&rst
ixpk= 4109, nxpk= 20, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1055,1071,
&end
#
# 64 VAL HN 64 VAL HB 4.00 (# 4110:20 Unique 2.27, 2.54 A)
&rst
ixpk= 4110, nxpk= 20, iat=1039,1043, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 VAL HN 64 VAL MGY 4.00 (# 4111:20 Unique 2.05, 3.91 A)
&rst
ixpk= 4111, nxpk= 20, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1045,1046,1047,1049,1050,1051,
&end
#
# 67 VAL MGX 65 VAL MGY 5.00 (# 4112:20 Unique 3.23, 7.69 A)
&rst
ixpk= 4112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1=1087,1088,1089,1091,1092,1093,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 0 AMB 20-2:4113 65 VAL MGY 3.00 (# 4113:20 Single Ambig)
&rst
ixpk= 4113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 554, 555,1059,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 65 VAL HA 65 VAL MGY 3.00 (# 4114:20 Unique 2.48, 3.58 A)
&rst
ixpk= 4114, nxpk= 20, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1061,1062,1063,1065,1066,1067,
&end
#
# 0 AMB 20-2:4115 67 VAL MGY 5.00 (# 4115:20 Single Ambig)
&rst
ixpk= 4115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1118,1119,1125,1126,1127,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 95 PHE HB+ 67 VAL MGY 5.00 (# 4116:20 Unique 2.13, 5.14 A)
&rst
ixpk= 4116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1514,1515,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 95 PHE HD 67 VAL MGY 4.00 (# 4119:20 Unique 1.99, 5.36 A)
&rst
ixpk= 4119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1518,1526,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 67 VAL HN 67 VAL MGY 5.00 (# 4120:20 Unique 1.93, 4.11 A)
&rst
ixpk= 4120, nxpk= 20, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1087,1088,1089,1091,1092,1093,
&end
#
# 68 HIS HN 68 HIS HB- 5.00 (# 4121:20 Unique 2.05, 2.76 A)
&rst
ixpk= 4121, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1101,1102,
&end
#
# 68 HIS HN 68 HIS HB+ 5.00 (# 4122:20 Unique 2.05, 2.76 A)
&rst
ixpk= 4122, nxpk= 20, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1101,1102,
&end
#
# 69 MET HN 69 MET ME 6.00 (# 4124:20 Unique 4.79, 6.40 A)
&rst
ixpk= 4124, nxpk= 20, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1125,1126,1127,
&end
#
# 108 ASN HD2- 69 MET ME 5.00 (# 4125:20 Unique 1.87, 3.41 A)
&rst
ixpk= 4125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1707,1708,
igr2=1125,1126,1127,
&end
#
# 69 MET HG- 69 MET ME 3.00 (# 4126:20 Unique 2.01, 3.45 A)
&rst
ixpk= 4126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1121,1122,
igr2=1125,1126,1127,
&end
#
# 111 VAL MGY 69 MET ME 3.00 (# 4127:20 Unique 1.94, 4.68 A)
&rst
ixpk= 4127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1754,1755,1756,1758,1759,1760,
igr2=1125,1126,1127,
&end
#
# 111 VAL MGX 69 MET ME 3.00 (# 4128:20 Unique 1.94, 4.68 A)
&rst
ixpk= 4128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1754,1755,1756,1758,1759,1760,
igr2=1125,1126,1127,
&end
#
# 51 VAL MGX 133 MET ME 5.00 (# 4129:20 Unique 2.49, 6.38 A)
&rst
ixpk= 4129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 822, 823, 824, 826, 827, 828,
igr2=2088,2089,2090,
&end
#
# 0 AMB 20-2:4130 70 PRO HA 5.00 (# 4130:20 Single Ambig)
&rst
ixpk= 4130, nxpk= 20, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1149,1150,1118,1119,
&end
#
# 71 ARG HN 71 ARG HG+ 5.00 (# 4131:20 Unique 3.38, 4.18 A)
&rst
ixpk= 4131, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1152,1153,
&end
#
# 71 ARG HN 71 ARG HG- 5.00 (# 4132:20 Unique 3.38, 4.18 A)
&rst
ixpk= 4132, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1152,1153,
&end
#
# 14 LYS HN 0 AMB 20-1:4135 6.00 (# 4135:20 Single Ambig)
&rst
ixpk= 4135, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1135,1136,1135,1136,
&end
#
# 79 GLY HN 78 PRO HD- 5.00 (# 4136:20 Unique 2.63, 3.42 A)
&rst
ixpk= 4136, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1251,1252,
&end
#
# 79 GLY HN 78 PRO HD+ 6.00 (# 4137:20 Unique 2.63, 3.42 A)
&rst
ixpk= 4137, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1251,1252,
&end
#
# 77 ASP HN 78 PRO HD+ 5.00 (# 4138:20 Unique 4.06, 4.58 A)
&rst
ixpk= 4138, nxpk= 20, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1251,1252,
&end
#
# 81 ILE HN 81 ILE HA 4.00 (# 4140:20 Unique 2.65, 2.77 A)
&rst
ixpk= 4140, nxpk= 20, iat=1293,1295, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 ILE HG1- 81 ILE HB 5.00 (# 4142:20 Unique 2.47, 2.82 A)
&rst
ixpk= 4142, nxpk= 20, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1303,1304,
&end
#
# 76 LEU HN 81 ILE QD1 6.00 (# 4143:20 Unique 2.56, 4.26 A)
&rst
ixpk= 4143, nxpk= 20, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1306,1307,1308,
&end
#
# 0 AMB 20-2:4145 82 LYS HA 5.00 (# 4145:20 Single Ambig)
&rst
ixpk= 4145, nxpk= 20, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1363, 293,
&end
#
# 138 LYS HN 138 LYS HG+ 4.00 (# 4146:20 Unique 1.83, 2.64 A)
&rst
ixpk= 4146, nxpk= 20, iat=2167, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2174,2175,
&end
#
# 83 GLU HN 82 LYS HD+ 5.00 (# 4147:20 Unique 1.93, 5.01 A)
&rst
ixpk= 4147, nxpk= 20, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1322,1323,
&end
#
# 85 ALA HN 84 THR HB 4.00 (# 4149:20 Unique 2.48, 2.81 A)
&rst
ixpk= 4149, nxpk= 20, iat=1363,1353, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 39 ILE QG2 84 THR HB 4.00 (# 4150:20 Unique 2.84, 4.23 A)
&rst
ixpk= 4150, nxpk= 20, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 641, 642, 643,
&end
#
# 85 ALA HN 84 THR MG2 6.00 (# 4151:20 Unique 2.44, 3.87 A)
&rst
ixpk= 4151, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1355,1356,1357,
&end
#
# 84 THR HN 84 THR MG2 5.00 (# 4152:20 Unique 3.97, 4.33 A)
&rst
ixpk= 4152, nxpk= 20, iat=1349, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1355,1356,1357,
&end
#
# 87 GLU HN 84 THR MG2 6.00 (# 4153:20 Unique 4.46, 5.46 A)
&rst
ixpk= 4153, nxpk= 20, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1355,1356,1357,
&end
#
# 86 ALA HN 85 ALA HA 6.00 (# 4155:20 Unique 3.51, 3.56 A)
&rst
ixpk= 4155, nxpk= 20, iat=1373,1365, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 90 ILE HN 85 ALA HA 5.00 (# 4156:20 Unique 4.80, 5.06 A)
&rst
ixpk= 4156, nxpk= 20, iat=1427,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 ALA HN 85 ALA MB 3.00 (# 4157:20 Unique 2.59, 3.63 A)
&rst
ixpk= 4157, nxpk= 20, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1367,1368,1369,
&end
#
# 0 AMB 20-2:4158 86 ALA MB 5.00 (# 4158:20 Single Ambig)
&rst
ixpk= 4158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1363, 293,
igr2=1377,1378,1379,
&end
#
# 133 MET HA 133 MET ME 5.00 (# 4159:20 Unique 1.93, 4.06 A)
&rst
ixpk= 4159, nxpk= 20, iat=2079, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2088,2089,2090,
&end
#
# 50 GLN HA 133 MET ME 6.00 (# 4160:20 Unique 4.69, 6.22 A)
&rst
ixpk= 4160, nxpk= 20, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2088,2089,2090,
&end
#
# 90 ILE HN 90 ILE HG1+ 6.00 (# 4161:20 Unique 1.79, 2.54 A)
&rst
ixpk= 4161, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1437,1438,
&end
#
# 92 GLN HN 92 GLN HG- 6.00 (# 4162:20 Unique 1.59, 2.92 A)
&rst
ixpk= 4162, nxpk= 20, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1467,1468,
&end
#
# 92 GLN HN 92 GLN HG+ 4.00 (# 4163:20 Unique 1.59, 2.92 A)
&rst
ixpk= 4163, nxpk= 20, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1467,1468,
&end
#
# 92 GLN HE2+ 92 GLN HG- 5.00 (# 4164:20 Unique 2.10, 3.25 A)
&rst
ixpk= 4164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1472,1473,
igr2=1467,1468,
&end
#
# 92 GLN HE2+ 92 GLN HG+ 6.00 (# 4165:20 Unique 2.10, 3.25 A)
&rst
ixpk= 4165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1472,1473,
igr2=1467,1468,
&end
#
# 94 ILE HG1+ 94 ILE HA 4.00 (# 4167:20 Unique 2.43, 2.99 A)
&rst
ixpk= 4167, nxpk= 20, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1501,1502,
&end
#
# 94 ILE HA 94 ILE QD1 6.00 (# 4168:20 Unique 3.93, 4.67 A)
&rst
ixpk= 4168, nxpk= 20, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1504,1505,1506,
&end
#
# 98 SER HN 97 ASP HA 4.00 (# 4169:20 Unique 2.25, 2.46 A)
&rst
ixpk= 4169, nxpk= 20, iat=1558,1548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 97 ASP HB+ 97 ASP HA 6.00 (# 4170:20 Unique 2.27, 2.76 A)
&rst
ixpk= 4170, nxpk= 20, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1550,1551,
&end
#
# 68 HIS HN 97 ASP HA 6.00 (# 4171:20 Unique 6.49, 7.03 A)
&rst
ixpk= 4171, nxpk= 20, iat=1097,1548, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:4172 0 AMB 20-1:4172 5.00 (# 4172:20 Double Ambig)
&rst
ixpk= 4172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1645,1646, 885, 886,
igr2=1600, 834,
&end
#
# 103 THR HN 100 HIS HA 6.00 (# 4173:20 Unique 4.06, 4.31 A)
&rst
ixpk= 4173, nxpk= 20, iat=1627,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 100 HIS HB+ 100 HIS HA 4.00 (# 4174:20 Unique 2.54, 2.83 A)
&rst
ixpk= 4174, nxpk= 20, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1585,1586,
&end
#
# 100 HIS HN 100 HIS HB+ 4.00 (# 4175:20 Unique 3.28, 3.72 A)
&rst
ixpk= 4175, nxpk= 20, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1585,1586,
&end
#
# 0 AMB 20-2:4176 100 HIS HB- 6.00 (# 4176:20 Single Ambig)
&rst
ixpk= 4176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1581,1698,
igr2=1585,1586,
&end
#
# 0 AMB 20-2:4177 0 AMB 20-1:4177 5.00 (# 4177:20 Double Ambig)
&rst
ixpk= 4177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1460,1608,1617,1618,1619,1621,1622,1623,
igr2= 834,1600,
&end
#
# 101 ALA MB 101 ALA HA 3.00 (# 4178:20 Unique 2.25, 2.66 A)
&rst
ixpk= 4178, nxpk= 20, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1602,1603,1604,
&end
#
# 0 AMB 20-2:4179 102 LEU HA 5.00 (# 4179:20 Single Ambig)
&rst
ixpk= 4179, nxpk= 20, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1617,1618,1619,1621,1622,1623,1608,
&end
#
# 0 AMB 20-2:4180 102 LEU HB- 5.00 (# 4180:20 Single Ambig)
&rst
ixpk= 4180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1=1608,1617,1618,1619,1621,1622,1623,
igr2=1612,1613,
&end
#
# 0 AMB 20-2:4181 0 AMB 20-1:4181 5.00 (# 4181:20 Double Ambig)
&rst
ixpk= 4181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.71, r4= 9.21,
igr1=1608,1617,1618,1619,1621,1622,1623,
igr2=1612,1613,1612,1613,
&end
#
# 102 LEU HG 102 LEU HB+ 4.00 (# 4182:20 Unique 2.24, 2.69 A)
&rst
ixpk= 4182, nxpk= 20, iat=1615, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1612,1613,
&end
#
# 9 GLU HN 102 LEU MDX 5.00 (# 4185:20 Unique 1.93, 4.17 A)
&rst
ixpk= 4185, nxpk= 20, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 67 VAL MGY 102 LEU MDY 4.00 (# 4186:20 Unique 2.08, 5.95 A)
&rst
ixpk= 4186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1087,1088,1089,1091,1092,1093,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 102 LEU HB- 102 LEU MDY 4.00 (# 4187:20 Unique 2.00, 3.35 A)
&rst
ixpk= 4187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1612,1613,
igr2=1617,1618,1619,1621,1622,1623,
&end
#
# 0 AMB 20-2:4188 0 AMB 20-1:4188 3.00 (# 4188:20 Double Ambig)
&rst
ixpk= 4188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 832,1427,
igr2= 834,1375,
&end
#
# 102 LEU HA 105 ALA MB 3.00 (# 4189:20 Unique 2.54, 3.70 A)
&rst
ixpk= 4189, nxpk= 20, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1657,1658,1659,
&end
#
# 106 PHE HN 106 PHE HA 4.00 (# 4190:20 Unique 2.91, 2.93 A)
&rst
ixpk= 4190, nxpk= 20, iat=1663,1665, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 PHE HN 106 PHE HB+ 4.00 (# 4192:20 Unique 2.04, 2.92 A)
&rst
ixpk= 4192, nxpk= 20, iat=1663, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1667,1668,
&end
#
# 0 AMB 20-2:4193 106 PHE HB- 5.00 (# 4193:20 Single Ambig)
&rst
ixpk= 4193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1665, 6,
igr2=1667,1668,
&end
#
# 109 GLU HN 109 GLU HA 6.00 (# 4195:20 Unique 2.17, 2.75 A)
&rst
ixpk= 4195, nxpk= 20, iat=1712,1714, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 GLU HN 109 GLU HB- 5.00 (# 4196:20 Unique 2.25, 3.18 A)
&rst
ixpk= 4196, nxpk= 20, iat=1712, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1716,1717,
&end
#
# 113 ALA HN 111 VAL HA 5.00 (# 4197:20 Unique 2.64, 2.97 A)
&rst
ixpk= 4197, nxpk= 20, iat=1778,1750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 VAL MGY 111 VAL HA 4.00 (# 4198:20 Unique 2.17, 3.35 A)
&rst
ixpk= 4198, nxpk= 20, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1754,1755,1756,1758,1759,1760,
&end
#
# 111 VAL MGY 0 AMB 20-1:4199 3.00 (# 4199:20 Single Ambig)
&rst
ixpk= 4199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1754,1755,1756,1758,1759,1760,
igr2=1752,1771,1772,
&end
#
# 33 LEU MDY 114 TYR HA 5.00 (# 4200:20 Unique 2.97, 5.13 A)
&rst
ixpk= 4200, nxpk= 20, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 534, 535, 536, 538, 539, 540,
&end
#
# 116 VAL HB 116 VAL HA 5.00 (# 4201:20 Unique 2.73, 2.93 A)
&rst
ixpk= 4201, nxpk= 20, iat=1834,1832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:4202 116 VAL HB 5.00 (# 4202:20 Single Ambig)
&rst
ixpk= 4202, nxpk= 20, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1832,1811,
&end
#
# 116 VAL HN 116 VAL MGY 4.00 (# 4203:20 Unique 2.22, 4.04 A)
&rst
ixpk= 4203, nxpk= 20, iat=1830, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1836,1837,1838,1840,1841,1842,
&end
#
# 117 PHE HN 0 AMB 20-1:4204 4.00 (# 4204:20 Single Ambig)
&rst
ixpk= 4204, nxpk= 20, iat=1846, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
1841,1842,
&end
#
# 119 LYS HN 118 ASP HB+ 5.00 (# 4206:20 Unique 2.28, 3.23 A)
&rst
ixpk= 4206, nxpk= 20, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1870,1871,
&end
#
# 120 THR HN 119 LYS HA 4.00 (# 4207:20 Unique 2.85, 3.23 A)
&rst
ixpk= 4207, nxpk= 20, iat=1900,1880, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 119 LYS HN 119 LYS HB- 5.00 (# 4208:20 Unique 2.06, 2.96 A)
&rst
ixpk= 4208, nxpk= 20, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1882,1883,
&end
#
# 119 LYS HN 119 LYS HG+ 5.00 (# 4209:20 Unique 1.94, 2.79 A)
&rst
ixpk= 4209, nxpk= 20, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1885,1886,
&end
#
# 119 LYS HN 119 LYS HG- 5.00 (# 4210:20 Unique 1.94, 2.79 A)
&rst
ixpk= 4210, nxpk= 20, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1885,1886,
&end
#
# 120 THR HN 119 LYS HG+ 5.00 (# 4211:20 Unique 2.61, 3.93 A)
&rst
ixpk= 4211, nxpk= 20, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1885,1886,
&end
#
# 121 GLY HN 120 THR HA 5.00 (# 4213:20 Unique 3.09, 3.29 A)
&rst
ixpk= 4213, nxpk= 20, iat=1914,1902, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 GLY HN 120 THR MG2 4.00 (# 4214:20 Unique 2.19, 4.14 A)
&rst
ixpk= 4214, nxpk= 20, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1906,1907,1908,
&end
#
# 122 GLN HG- 122 GLN HA 5.00 (# 4215:20 Unique 2.32, 3.15 A)
&rst
ixpk= 4215, nxpk= 20, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1928,1929,
&end
#
# 123 LEU HN 123 LEU HA 5.00 (# 4216:20 Unique 2.79, 2.83 A)
&rst
ixpk= 4216, nxpk= 20, iat=1938,1940, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 LEU HB+ 123 LEU HA 4.00 (# 4218:20 Unique 2.39, 2.74 A)
&rst
ixpk= 4218, nxpk= 20, iat= -1,1940, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1942,1943,
&end
#
# 123 LEU MDX 123 LEU HA 4.00 (# 4219:20 Unique 1.96, 3.67 A)
&rst
ixpk= 4219, nxpk= 20, iat= -1,1940, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1947,1948,1949,1951,1952,1953,
&end
#
# 123 LEU HN 123 LEU HB+ 5.00 (# 4220:20 Unique 2.31, 2.46 A)
&rst
ixpk= 4220, nxpk= 20, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1942,1943,
&end
#
# 123 LEU HN 123 LEU MDY 6.00 (# 4221:20 Unique 4.21, 5.10 A)
&rst
ixpk= 4221, nxpk= 20, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1947,1948,1949,1951,1952,1953,
&end
#
# 35 HIS HN 35 HIS HB+ 6.00 (# 4222:20 Unique 2.78, 3.55 A)
&rst
ixpk= 4222, nxpk= 20, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 567, 568,
&end
#
# 0 AMB 20-2:4223 0 AMB 20-1:4223 6.00 (# 4223:20 Double Ambig)
&rst
ixpk= 4223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 816,2133,
igr2=2084,2085,2120,2121,
&end
#
# 0 AMB 20-2:4224 0 AMB 20-1:4224 5.00 (# 4224:20 Double Ambig)
&rst
ixpk= 4224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 98, 99,2116,
igr2= 11, 12,2120,2121,
&end
#
# 135 MET HN 135 MET HB+ 5.00 (# 4225:20 Unique 2.16, 2.95 A)
&rst
ixpk= 4225, nxpk= 20, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2120,2121,
&end
#
# 136 LEU HN 135 MET HB+ 6.00 (# 4226:20 Unique 2.11, 3.63 A)
&rst
ixpk= 4226, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2120,2121,
&end
#
# 139 ARG HN 136 LEU HA 5.00 (# 4227:20 Unique 2.55, 2.76 A)
&rst
ixpk= 4227, nxpk= 20, iat=2189,2135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 LEU HA 136 LEU HB- 5.00 (# 4228:20 Unique 2.26, 2.77 A)
&rst
ixpk= 4228, nxpk= 20, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2137,2138,
&end
#
# 136 LEU HA 136 LEU HB+ 5.00 (# 4229:20 Unique 2.26, 2.77 A)
&rst
ixpk= 4229, nxpk= 20, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2137,2138,
&end
#
# 136 LEU HN 136 LEU MDX 5.00 (# 4230:20 Unique 2.49, 5.04 A)
&rst
ixpk= 4230, nxpk= 20, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=2142,2143,2144,2146,2147,2148,
&end
#
# 139 ARG HN 138 LYS HA 4.00 (# 4231:20 Unique 3.56, 3.58 A)
&rst
ixpk= 4231, nxpk= 20, iat=2189,2169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 139 ARG HN 139 ARG HB- 4.00 (# 4232:20 Unique 2.03, 2.79 A)
&rst
ixpk= 4232, nxpk= 20, iat=2189, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2193,2194,
&end
#
# 140 VAL HN 139 ARG HB- 6.00 (# 4233:20 Unique 2.58, 3.42 A)
&rst
ixpk= 4233, nxpk= 20, iat=2213, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2193,2194,
&end
#
# 140 VAL HN 139 ARG HB+ 6.00 (# 4234:20 Unique 2.58, 3.42 A)
&rst
ixpk= 4234, nxpk= 20, iat=2213, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2193,2194,
&end
#
# 139 ARG HG- 139 ARG HB- 4.00 (# 4235:20 Unique 2.27, 2.66 A)
&rst
ixpk= 4235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2196,2197,
igr2=2193,2194,
&end
#
# 139 ARG HN 139 ARG HD- 5.00 (# 4236:20 Unique 2.70, 4.59 A)
&rst
ixpk= 4236, nxpk= 20, iat=2189, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2199,2200,
&end
#
# 139 ARG HN 139 ARG HD+ 5.00 (# 4237:20 Unique 2.70, 4.59 A)
&rst
ixpk= 4237, nxpk= 20, iat=2189, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2199,2200,
&end
#
# 0 AMB 20-2:4238 140 VAL MGY 4.00 (# 4238:20 Single Ambig)
&rst
ixpk= 4238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=2238,2239, 869, 877,
igr2=2219,2220,2221,2223,2224,2225,
&end
#
# 58 TYR HD 140 VAL MGY 6.00 (# 4239:20 Unique 2.39, 4.73 A)
&rst
ixpk= 4239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 947, 956,
igr2=2219,2220,2221,2223,2224,2225,
&end
#
# 141 ASN HA 140 VAL MGY 5.00 (# 4240:20 Unique 3.07, 5.26 A)
&rst
ixpk= 4240, nxpk= 20, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=2219,2220,2221,2223,2224,2225,
&end
#
# 142 ARG HN 141 ASN HA 4.00 (# 4241:20 Unique 3.39, 3.50 A)
&rst
ixpk= 4241, nxpk= 20, iat=2243,2231, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 143 VAL HN 142 ARG HA 4.00 (# 4242:20 Unique 3.62, 3.65 A)
&rst
ixpk= 4242, nxpk= 20, iat=2267,2245, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 144 LEU HN 143 VAL MGY 4.00 (# 4243:20 Unique 1.94, 4.11 A)
&rst
ixpk= 4243, nxpk= 20, iat=2283, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 143 VAL HN 143 VAL MGY 3.00 (# 4244:20 Unique 2.01, 3.77 A)
&rst
ixpk= 4244, nxpk= 20, iat=2267, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 143 VAL HA 143 VAL MGY 3.00 (# 4245:20 Unique 2.09, 3.39 A)
&rst
ixpk= 4245, nxpk= 20, iat=2269, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2273,2274,2275,2277,2278,2279,
&end
#
# 147 THR HN 145 ALA HA 6.00 (# 4247:20 Unique 4.36, 4.93 A)
&rst
ixpk= 4247, nxpk= 20, iat=2327,2304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:4248 0 AMB 20-1:4248 6.00 (# 4248:20 Double Ambig)
&rst
ixpk= 4248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 293,1363,
igr2= 278, 279, 278, 279,
&end
#
# 2 LYS HN 1 MET HB+ 6.00 (# 4249:20 Unique 2.56, 3.70 A)
&rst
ixpk= 4249, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 8, 9,
&end
#
# 0 AMB 20-2:4250 27 ILE HG1- 6.00 (# 4250:20 Single Ambig)
&rst
ixpk= 4250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 453, 460,
igr2= 444, 445,
&end
#
# 0 AMB 20-2:4251 0 AMB 20-1:4251 5.00 (# 4251:20 Double Ambig)
&rst
ixpk= 4251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 453, 460,
igr2= 444, 445, 444, 445,
&end
#
# 44 CYSS HN 43 LEU HA 5.00 (# 4252:20 Unique 3.42, 3.52 A)
&rst
ixpk= 4252, nxpk= 20, iat= 711, 694, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:4253 0 AMB 20-1:4253 5.00 (# 4253:20 Double Ambig)
&rst
ixpk= 4253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1034,1035, 434,
igr2= 419, 420, 419, 420,
&end
#
# 26 LEU HN 26 LEU HB+ 5.00 (# 4254:20 Unique 2.42, 3.41 A)
&rst
ixpk= 4254, nxpk= 20, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 419, 420,
&end
#
# 26 LEU HN 26 LEU HG 4.00 (# 4255:20 Unique 1.98, 2.53 A)
&rst
ixpk= 4255, nxpk= 20, iat= 415, 422, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 ILE HN 26 LEU HG 6.00 (# 4256:20 Unique 2.50, 3.57 A)
&rst
ixpk= 4256, nxpk= 20, iat= 434, 422, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:4257 26 LEU MDY 4.00 (# 4257:20 Single Ambig)
&rst
ixpk= 4257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1034,1035, 434,
igr2= 424, 425, 426, 428, 429, 430,
&end
#
# 0 AMB 20-2:4258 26 LEU MDY 6.00 (# 4258:20 Single Ambig)
&rst
ixpk= 4258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 398, 345,
igr2= 424, 425, 426, 428, 429, 430,
&end
#
# 139 ARG HN 139 ARG HG- 4.00 (# 4259:20 Unique 1.98, 3.45 A)
&rst
ixpk= 4259, nxpk= 20, iat=2189, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2196,2197,
&end
#
# 94 ILE HN 17 LEU MDX 6.00 (# 4260:20 Unique 3.81, 6.33 A)
&rst
ixpk= 4260, nxpk= 20, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 283, 284, 285, 287, 288, 289,
&end
#
# 0 AMB 20-2:4261 17 LEU MDX 6.00 (# 4261:20 Single Ambig)
&rst
ixpk= 4261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 293,1363,
igr2= 283, 284, 285, 287, 288, 289,
&end
#
# 81 ILE HN 17 LEU MDX 6.00 (# 4262:20 Unique 4.85, 7.09 A)
&rst
ixpk= 4262, nxpk= 20, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 283, 284, 285, 287, 288, 289,
&end
#
# 108 ASN HD2+ 69 MET ME 5.00 (# 4264:20 Unique 1.87, 3.41 A)
&rst
ixpk= 4264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1707,1708,
igr2=1125,1126,1127,
&end
#
# 10 LEU MDY 10 LEU HB- 5.00 (# 4265:20 Unique 1.98, 3.46 A)
&rst
ixpk= 4265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 172, 173, 174, 176, 177, 178,
igr2= 167, 168,
&end
#
# 10 LEU HN 10 LEU MDX 6.00 (# 4266:20 Unique 1.94, 3.82 A)
&rst
ixpk= 4266, nxpk= 20, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 172, 173, 174, 176, 177, 178,
&end
#
# 90 ILE QD1 88 HIS HB- 5.00 (# 4268:20 Unique 1.93, 4.53 A)
&rst
ixpk= 4268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1440,1441,1442,
igr2=1402,1403,
&end
#
# 90 ILE QD1 88 HIS HB+ 5.00 (# 4269:20 Unique 1.93, 4.53 A)
&rst
ixpk= 4269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1440,1441,1442,
igr2=1402,1403,
&end
#
# 88 HIS HN 88 HIS HB- 4.00 (# 4270:20 Unique 2.21, 2.94 A)
&rst
ixpk= 4270, nxpk= 20, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1402,1403,
&end
#
# 88 HIS HN 88 HIS HB+ 4.00 (# 4271:20 Unique 2.21, 2.94 A)
&rst
ixpk= 4271, nxpk= 20, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1402,1403,
&end
#
# 34 ILE HN 34 ILE HG1+ 6.00 (# 4272:20 Unique 1.93, 2.95 A)
&rst
ixpk= 4272, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 554, 555,
&end
#
# 65 VAL HN 34 ILE HG1+ 6.00 (# 4273:20 Unique 3.76, 4.73 A)
&rst
ixpk= 4273, nxpk= 20, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 554, 555,
&end
#
# 108 ASN HD2- 108 ASN HB- 6.00 (# 4274:20 Unique 2.15, 3.55 A)
&rst
ixpk= 4274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1707,1708,
igr2=1702,1703,
&end
#
# 108 ASN HA 108 ASN HB+ 6.00 (# 4275:20 Unique 2.38, 2.81 A)
&rst
ixpk= 4275, nxpk= 20, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1702,1703,
&end
#
# 108 ASN HA 108 ASN HB- 5.00 (# 4276:20 Unique 2.38, 2.81 A)
&rst
ixpk= 4276, nxpk= 20, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1702,1703,
&end
#
# 102 LEU HA 8 PRO HG+ 5.00 (# 4277:20 Unique 2.50, 3.40 A)
&rst
ixpk= 4277, nxpk= 20, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 138, 139,
&end
#
# 76 LEU HA 76 LEU MDX 4.00 (# 4279:20 Unique 2.32, 4.10 A)
&rst
ixpk= 4279, nxpk= 20, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1228,1229,1230,1232,1233,1234,
&end
#
# 45 LYS HB+ 43 LEU MDY 5.00 (# 4280:20 Unique 6.05, 8.69 A)
&rst
ixpk= 4280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 725, 726,
igr2= 701, 702, 703, 705, 706, 707,
&end
#
# 46 GLU HG+ 43 LEU MDY 4.00 (# 4281:20 Unique 2.62, 5.79 A)
&rst
ixpk= 4281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 750, 751,
igr2= 701, 702, 703, 705, 706, 707,
&end
#
# 0 AMB 20-2:4283 135 MET ME 6.00 (# 4283:20 Single Ambig)
&rst
ixpk= 4283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2063,2064,2191,
igr2=2127,2128,2129,
&end
#
# 136 LEU HB- 133 MET ME 3.00 (# 4285:20 Unique 1.94, 3.64 A)
&rst
ixpk= 4285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2137,2138,
igr2=2088,2089,2090,
&end
#
# 114 TYR HD 114 TYR HA 5.00 (# 4286:20 Unique 3.58, 4.05 A)
&rst
ixpk= 4286, nxpk= 20, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1796,1805,
&end
#
# 135 MET HN 135 MET ME 6.00 (# 4289:20 Unique 1.91, 4.67 A)
&rst
ixpk= 4289, nxpk= 20, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2127,2128,2129,
&end
#
# 141 ASN HN 137 GLU HA 6.00 (# 4291:20 Unique 4.52, 4.93 A)
&rst
ixpk= 4291, nxpk= 20, iat=2229,2154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 140 VAL HN 137 GLU HA 4.00 (# 4292:20 Unique 3.43, 3.73 A)
&rst
ixpk= 4292, nxpk= 20, iat=2213,2154, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 140 VAL MGY 137 GLU HA 5.00 (# 4293:20 Unique 1.93, 4.50 A)
&rst
ixpk= 4293, nxpk= 20, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2219,2220,2221,2223,2224,2225,
&end
#
# 0 AMB 20-2:4294 0 AMB 20-1:4294 6.00 (# 4294:20 Double Ambig)
&rst
ixpk= 4294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1=2127,2128,2129, 747, 748,
igr2=2054,2055,2072,2073,
&end
#
# 49 PRO HG- 132 GLY HA+ 6.00 (# 4295:20 Unique 4.55, 6.51 A)
&rst
ixpk= 4295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 789, 790,
igr2=2072,2073,
&end
#
# 43 LEU HN 43 LEU MDY 6.00 (# 4298:20 Unique 2.00, 4.13 A)
&rst
ixpk= 4298, nxpk= 20, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 701, 702, 703, 705, 706, 707,
&end
#
# 0 AMB 20-2:4299 43 LEU MDY 4.00 (# 4299:20 Single Ambig)
&rst
ixpk= 4299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=2054,2055,2072,2073,
igr2= 701, 702, 703, 705, 706, 707,
&end
#
# 0 AMB 20-2:4302 135 MET HA 4.00 (# 4302:20 Single Ambig)
&rst
ixpk= 4302, nxpk= 20, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=2159,2160,2127,2128,2129,
&end
#
# 0 AMB 20-2:4304 0 AMB 20-1:4304 3.00 (# 4304:20 Double Ambig)
&rst
ixpk= 4304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 8, 9,2081,2082,
igr2= 11, 12,2084,2085,
&end
#
# 0 AMB 20-2:4305 0 AMB 20-1:4305 3.00 (# 4305:20 Double Ambig)
&rst
ixpk= 4305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 8, 9,2081,2082,
igr2= 11, 12,2084,2085,
&end
#
# 96 VAL MGX 70 PRO HD- 4.00 (# 4308:20 Unique 2.79, 6.93 A)
&rst
ixpk= 4308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1536,1537,1538,1540,1541,1542,
igr2=1132,1133,
&end
#
# 4 ARG HG+ 4 ARG HD- 3.00 (# 4309:20 Unique 2.29, 2.76 A)
&rst
ixpk= 4309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 69, 70,
igr2= 72, 73,
&end
#
# 71 ARG HG- 71 ARG HD- 3.00 (# 4310:20 Unique 2.27, 2.74 A)
&rst
ixpk= 4310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1152,1153,
igr2=1155,1156,
&end
#
# 47 ALA HN 46 GLU HG- 6.00 (# 4312:20 Unique 4.14, 4.65 A)
&rst
ixpk= 4312, nxpk= 20, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 750, 751,
&end
#
# 147 THR MG2 31 PRO HD- 6.00 (# 4313:20 Unique 2.97, 5.72 A)
&rst
ixpk= 4313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2333,2334,2335,
igr2= 498, 499,
&end
#
# 119 LYS HB- 31 PRO HD- 6.00 (# 4314:20 Unique 2.16, 4.15 A)
&rst
ixpk= 4314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1882,1883,
igr2= 498, 499,
&end
#
# 8 PRO HG- 0 AMB 20-1:4315 3.00 (# 4315:20 Single Ambig)
&rst
ixpk= 4315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 138, 139,
igr2= 15, 16, 17,1657,1658,1659,
&end
#
# 71 ARG HN 71 ARG HD- 6.00 (# 4316:20 Unique 4.23, 4.95 A)
&rst
ixpk= 4316, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1155,1156,
&end
#
# 0 AMB 20-2:4317 30 LYS HA 4.00 (# 4317:20 Single Ambig)
&rst
ixpk= 4317, nxpk= 20, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1882,1883, 482, 483,
&end
#
# 59 GLN HE2- 59 GLN HG+ 5.00 (# 4318:20 Unique 2.34, 3.51 A)
&rst
ixpk= 4318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 972, 973,
igr2= 967, 968,
&end
#
# 59 GLN HE2- 59 GLN HG- 5.00 (# 4319:20 Unique 2.34, 3.51 A)
&rst
ixpk= 4319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 972, 973,
igr2= 967, 968,
&end
#
# 0 AMB 20-2:4320 0 AMB 20-1:4320 4.00 (# 4320:20 Double Ambig)
&rst
ixpk= 4320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2231,1880,
igr2=2217,2345,2346,
&end
#
# 70 PRO HD- 70 PRO HG- 3.00 (# 4321:20 Unique 2.30, 2.59 A)
&rst
ixpk= 4321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1132,1133,
igr2=1135,1136,
&end
#
# 0 AMB 20-2:4322 0 AMB 20-1:4322 5.00 (# 4322:20 Double Ambig)
&rst
ixpk= 4322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 383,1349,
igr2= 361,1314,
&end
#
# 0 AMB 20-2:4323 8 PRO HG- 5.00 (# 4323:20 Single Ambig)
&rst
ixpk= 4323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 119, 104, 105,
igr2= 138, 139,
&end
#
# 136 LEU HN 136 LEU HG 6.00 (# 4324:20 Unique 3.23, 4.36 A)
&rst
ixpk= 4324, nxpk= 20, iat=2133,2140, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 136 LEU HA 136 LEU HG 5.00 (# 4325:20 Unique 2.41, 3.39 A)
&rst
ixpk= 4325, nxpk= 20, iat=2135,2140, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 TRP HN 68 HIS HA 5.00 (# 4326:20 Unique 2.83, 3.31 A)
&rst
ixpk= 4326, nxpk= 20, iat= 600,1099, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:4328 0 AMB 20-1:4328 3.00 (# 4328:20 Double Ambig)
&rst
ixpk= 4328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 658, 659,1173,1174,
igr2= 656,1171,
&end
#
# 30 LYS HA 31 PRO HD- 3.00 (# 4329:20 Unique 1.97, 2.45 A)
&rst
ixpk= 4329, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 498, 499,
&end
#
# 21 VAL HA 21 VAL MGY 5.00 (# 4330:20 Unique 2.08, 3.46 A)
&rst
ixpk= 4330, nxpk= 20, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 335, 336, 337, 339, 340, 341,
&end
#
# 0 AMB 20-2:4335 0 AMB 20-1:4335 4.00 (# 4335:20 Double Ambig)
&rst
ixpk= 4335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 72, 73, 72, 73,
igr2= 66, 67, 66, 67,
&end
#
# 0 AMB 20-2:4340 126 PHE HB- 6.00 (# 4340:20 Single Ambig)
&rst
ixpk= 4340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1942,1943,2039,2040,2041,
igr2=2002,2003,
&end
#
# 43 LEU HN 43 LEU HB+ 6.00 (# 4341:20 Unique 1.98, 2.82 A)
&rst
ixpk= 4341, nxpk= 20, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 696, 697,
&end
#
# 0 AMB 20-2:4342 0 AMB 20-1:4342 5.00 (# 4342:20 Double Ambig)
&rst
ixpk= 4342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 711,2052,
igr2= 696, 697, 696, 697,
&end
#
# 36 PHE HN 36 PHE HB+ 5.00 (# 4344:20 Unique 1.96, 2.61 A)
&rst
ixpk= 4344, nxpk= 20, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 584, 585,
&end
#
# 36 PHE HN 36 PHE HB- 5.00 (# 4345:20 Unique 1.96, 2.61 A)
&rst
ixpk= 4345, nxpk= 20, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 584, 585,
&end
#
# 0 AMB 20-2:4346 95 PHE HA 6.00 (# 4346:20 Single Ambig)
&rst
ixpk= 4346, nxpk= 20, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1514,1515, 254, 255,
&end
#
# 0 AMB 20-2:4347 95 PHE HA 5.00 (# 4347:20 Single Ambig)
&rst
ixpk= 4347, nxpk= 20, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1514,1515, 278, 279,
&end
#
# 103 THR MG2 100 HIS HB- 5.00 (# 4348:20 Unique 1.82, 3.20 A)
&rst
ixpk= 4348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1633,1634,1635,
igr2=1585,1586,
&end
#
# 103 THR MG2 100 HIS HB+ 5.00 (# 4349:20 Unique 1.82, 3.20 A)
&rst
ixpk= 4349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1633,1634,1635,
igr2=1585,1586,
&end
# 2355 atoms read from pdb file prm1.pdb.
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