NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
489831 |
2kyt   |
cing | 1-original | 1 | AMBER | distance | NOE | ambi |
#
# 55 THR MG2 55 THR HB 2.80 (# 0:20 Unique 2.23, 2.64 A)
&rst
ixpk= 0, nxpk= 20, iat= -1, 825, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1= 827, 828, 829,
&end
#
# 92 ILE QG2 92 ILE HA 3.50 (# 2:20 Unique 2.34, 3.19 A)
&rst
ixpk= 2, nxpk= 20, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1418,1419,1420,
&end
#
# 92 ILE HN 92 ILE HA 3.50 (# 3:20 Unique 2.73, 2.77 A)
&rst
ixpk= 3, nxpk= 20, iat=1412,1414, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 ILE HB 92 ILE HA 3.50 (# 4:20 Unique 3.00, 3.01 A)
&rst
ixpk= 4, nxpk= 20, iat=1416,1414, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 ILE HG1- 92 ILE HA 3.50 (# 5:20 Unique 2.17, 2.73 A)
&rst
ixpk= 5, nxpk= 20, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1422,1423,
&end
#
# 101 GLY HN 100 VAL HA 2.80 (# 6:20 Unique 2.18, 2.27 A)
&rst
ixpk= 6, nxpk= 20, iat=1566,1552, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 VAL HB 100 VAL HA 3.50 (# 7:20 Unique 1.99, 2.24 A)
&rst
ixpk= 7, nxpk= 20, iat= 902,1552, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 100 VAL MGX 100 VAL HA 3.50 (# 8:20 Unique 2.10, 3.36 A)
&rst
ixpk= 8, nxpk= 20, iat= -1,1552, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1556,1557,1558,1560,1561,1562,
&end
#
# 100 VAL MGY 100 VAL HA 3.50 (# 9:20 Unique 2.10, 3.36 A)
&rst
ixpk= 9, nxpk= 20, iat= -1,1552, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1556,1557,1558,1560,1561,1562,
&end
#
# 60 VAL MGX 100 VAL HA 3.50 (# 10:20 Unique 2.00, 3.63 A)
&rst
ixpk= 10, nxpk= 20, iat= -1,1552, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 904, 905, 906, 908, 909, 910,
&end
#
# 19 PRO HB- 19 PRO HA 2.80 (# 11:20 Unique 2.30, 2.51 A)
&rst
ixpk= 11, nxpk= 20, iat= -1, 312, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 309, 310,
&end
#
# 19 PRO HB+ 19 PRO HA 3.50 (# 12:20 Unique 2.30, 2.51 A)
&rst
ixpk= 12, nxpk= 20, iat= -1, 312, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 309, 310,
&end
#
# 68 VAL HN 68 VAL HA 3.50 (# 13:20 Unique 2.79, 2.84 A)
&rst
ixpk= 13, nxpk= 20, iat=1044,1046, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 VAL HB 68 VAL HA 3.50 (# 14:20 Unique 3.02, 3.02 A)
&rst
ixpk= 14, nxpk= 20, iat=1048,1046, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 117 VAL MGY 117 VAL HA 3.50 (# 15:20 Unique 2.35, 3.47 A)
&rst
ixpk= 15, nxpk= 20, iat= -1,1821, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1825,1826,1827,1829,1830,1831,
&end
#
# 93 ILE HN 93 ILE HA 4.50 (# 16:20 Unique 2.78, 2.82 A)
&rst
ixpk= 16, nxpk= 20, iat=1431,1433, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ILE HB 93 ILE HA 3.50 (# 17:20 Unique 3.01, 3.02 A)
&rst
ixpk= 17, nxpk= 20, iat=1435,1433, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 ALA MB 93 ILE HA 3.50 (# 18:20 Unique 2.15, 3.32 A)
&rst
ixpk= 18, nxpk= 20, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1495,1496,1497,
&end
#
# 93 ILE QG2 93 ILE HA 3.50 (# 19:20 Unique 2.27, 3.06 A)
&rst
ixpk= 19, nxpk= 20, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1437,1438,1439,
&end
#
# 0 AMB 20-2:20 93 ILE HA 3.50 (# 20:20 Single Ambig)
&rst
ixpk= 20, nxpk= 20, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1444,1445,1446, 478, 479, 480, 482, 483, 484,
&end
#
# 36 LEU HG 113 CYS HA 3.50 (# 21:20 Unique 2.59, 3.18 A)
&rst
ixpk= 21, nxpk= 20, iat= 591,1758, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 10 PRO HB- 10 PRO HA 3.50 (# 22:20 Unique 2.30, 2.51 A)
&rst
ixpk= 22, nxpk= 20, iat= -1, 163, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 160, 161,
&end
#
# 11 GLY HN 10 PRO HA 3.50 (# 23:20 Unique 2.16, 2.21 A)
&rst
ixpk= 23, nxpk= 20, iat= 167, 163, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 TYR HD 10 PRO HA 3.50 (# 24:20 Unique 2.00, 4.43 A)
&rst
ixpk= 24, nxpk= 20, iat= -1, 163, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 459, 468,
&end
#
# 117 VAL HB 117 VAL HA 3.50 (# 25:20 Unique 2.41, 2.47 A)
&rst
ixpk= 25, nxpk= 20, iat=1823,1821, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 120 LEU MDY 117 VAL HA 3.50 (# 26:20 Unique 1.98, 3.68 A)
&rst
ixpk= 26, nxpk= 20, iat= -1,1821, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 85 SER HN 85 SER HB+ 3.50 (# 27:20 Unique 3.02, 3.77 A)
&rst
ixpk= 27, nxpk= 20, iat=1310, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1314,1315,
&end
#
# 85 SER HA 85 SER HB+ 3.50 (# 28:20 Unique 2.31, 2.63 A)
&rst
ixpk= 28, nxpk= 20, iat=1312, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1314,1315,
&end
#
# 85 SER HN 85 SER HB- 3.50 (# 29:20 Unique 3.02, 3.77 A)
&rst
ixpk= 29, nxpk= 20, iat=1310, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1314,1315,
&end
#
# 85 SER HA 85 SER HB- 3.50 (# 30:20 Unique 2.31, 2.63 A)
&rst
ixpk= 30, nxpk= 20, iat=1312, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1314,1315,
&end
#
# 0 AMB 20-2:31 0 AMB 20-1:31 3.50 (# 31:20 Double Ambig)
&rst
ixpk= 31, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1911,1912,1372,1373,
igr2=1314,1315,1370,
&end
#
# 92 ILE HB 89 CYS HA 3.50 (# 32:20 Unique 2.38, 2.64 A)
&rst
ixpk= 32, nxpk= 20, iat=1416,1370, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 ILE QD1 89 CYS HA 3.50 (# 33:20 Unique 1.96, 3.17 A)
&rst
ixpk= 33, nxpk= 20, iat= -1,1370, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1425,1426,1427,
&end
#
# 7 GLU HN 6 PRO HA 3.50 (# 37:20 Unique 3.38, 3.50 A)
&rst
ixpk= 37, nxpk= 20, iat= 102, 98, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 PRO HB+ 6 PRO HA 2.80 (# 39:20 Unique 2.30, 2.51 A)
&rst
ixpk= 39, nxpk= 20, iat= -1, 98, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 95, 96,
&end
#
# 39 PRO HB+ 39 PRO HA 2.80 (# 40:20 Unique 2.30, 2.51 A)
&rst
ixpk= 40, nxpk= 20, iat= -1, 637, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 634, 635,
&end
#
# 6 PRO HB- 6 PRO HA 3.50 (# 41:20 Unique 2.30, 2.51 A)
&rst
ixpk= 41, nxpk= 20, iat= -1, 98, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 95, 96,
&end
#
# 59 ILE QD1 39 PRO HA 3.50 (# 42:20 Unique 2.22, 3.50 A)
&rst
ixpk= 42, nxpk= 20, iat= -1, 637, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 892, 893, 894,
&end
#
# 61 LYS HN 60 VAL HA 2.80 (# 43:20 Unique 2.15, 2.18 A)
&rst
ixpk= 43, nxpk= 20, iat= 914, 900, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 36 LEU HA 60 VAL HA 3.50 (# 44:20 Unique 2.53, 2.73 A)
&rst
ixpk= 44, nxpk= 20, iat= 586, 900, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 VAL MGY 60 VAL HA 3.50 (# 45:20 Unique 2.25, 3.11 A)
&rst
ixpk= 45, nxpk= 20, iat= -1, 900, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 904, 905, 906, 908, 909, 910,
&end
#
# 50 VAL HB 50 VAL HA 3.50 (# 46:20 Unique 2.38, 2.62 A)
&rst
ixpk= 46, nxpk= 20, iat= 752, 750, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 VAL MGY 50 VAL HA 2.80 (# 47:20 Unique 2.25, 3.37 A)
&rst
ixpk= 47, nxpk= 20, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 754, 755, 756, 758, 759, 760,
&end
#
# 36 LEU MDX 60 VAL HA 3.50 (# 48:20 Unique 2.65, 4.60 A)
&rst
ixpk= 48, nxpk= 20, iat= -1, 900, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 593, 594, 595, 597, 598, 599,
&end
#
# 9 LYS HN 8 PRO HA 3.50 (# 49:20 Unique 2.15, 2.27 A)
&rst
ixpk= 49, nxpk= 20, iat= 131, 127, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 8 PRO HB+ 8 PRO HA 2.80 (# 50:20 Unique 2.30, 2.51 A)
&rst
ixpk= 50, nxpk= 20, iat= -1, 127, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 124, 125,
&end
#
# 76 VAL MGX 8 PRO HA 3.50 (# 51:20 Unique 2.08, 4.61 A)
&rst
ixpk= 51, nxpk= 20, iat= -1, 127, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 8 PRO HB- 8 PRO HA 3.50 (# 52:20 Unique 2.30, 2.51 A)
&rst
ixpk= 52, nxpk= 20, iat= -1, 127, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 124, 125,
&end
#
# 42 VAL HB 42 VAL HA 3.50 (# 54:20 Unique 2.46, 2.63 A)
&rst
ixpk= 54, nxpk= 20, iat= 671, 669, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 VAL MGY 42 VAL HA 3.50 (# 55:20 Unique 2.06, 3.36 A)
&rst
ixpk= 55, nxpk= 20, iat= -1, 669, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 673, 674, 675, 677, 678, 679,
&end
#
# 116 PHE HN 116 PHE HA 3.50 (# 57:20 Unique 2.77, 2.81 A)
&rst
ixpk= 57, nxpk= 20, iat=1799,1801, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 116 PHE HB- 116 PHE HA 3.50 (# 58:20 Unique 2.24, 2.64 A)
&rst
ixpk= 58, nxpk= 20, iat= -1,1801, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1803,1804,
&end
#
# 116 PHE HD 116 PHE HA 3.50 (# 59:20 Unique 2.31, 3.66 A)
&rst
ixpk= 59, nxpk= 20, iat= -1,1801, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1807,1815,
&end
#
# 35 HIS HN 34 VAL HA 3.50 (# 60:20 Unique 2.16, 2.21 A)
&rst
ixpk= 60, nxpk= 20, iat= 567, 553, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 62 LYS HA 34 VAL HA 3.50 (# 61:20 Unique 1.99, 2.21 A)
&rst
ixpk= 61, nxpk= 20, iat= 938, 553, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 VAL MGX 34 VAL HA 3.50 (# 62:20 Unique 2.16, 3.15 A)
&rst
ixpk= 62, nxpk= 20, iat= -1, 553, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 557, 558, 559, 561, 562, 563,
&end
#
# 34 VAL MGY 34 VAL HA 3.50 (# 63:20 Unique 2.16, 3.15 A)
&rst
ixpk= 63, nxpk= 20, iat= -1, 553, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 557, 558, 559, 561, 562, 563,
&end
#
# 90 SER HB+ 90 SER HA 2.80 (# 64:20 Unique 2.42, 2.80 A)
&rst
ixpk= 64, nxpk= 20, iat= -1,1381, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1383,1384,
&end
#
# 119 GLU HG- 124 VAL HA 3.50 (# 65:20 Unique 2.00, 3.36 A)
&rst
ixpk= 65, nxpk= 20, iat= -1,1937, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1856,1857,
&end
#
# 91 LYS HN 90 SER HA 3.50 (# 66:20 Unique 3.55, 3.56 A)
&rst
ixpk= 66, nxpk= 20, iat=1390,1381, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 ALA HN 124 VAL HA 2.80 (# 67:20 Unique 2.14, 2.22 A)
&rst
ixpk= 67, nxpk= 20, iat=1951,1937, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 124 VAL HB 124 VAL HA 3.50 (# 68:20 Unique 2.42, 2.68 A)
&rst
ixpk= 68, nxpk= 20, iat=1939,1937, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 124 VAL MGX 124 VAL HA 3.50 (# 69:20 Unique 2.31, 3.33 A)
&rst
ixpk= 69, nxpk= 20, iat= -1,1937, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1941,1942,1943,1945,1946,1947,
&end
#
# 17 PHE HN 16 ILE HA 3.50 (# 70:20 Unique 2.14, 2.18 A)
&rst
ixpk= 70, nxpk= 20, iat= 258, 241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 TYR HA 16 ILE HA 3.50 (# 71:20 Unique 2.07, 2.73 A)
&rst
ixpk= 71, nxpk= 20, iat=1124, 241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 TYR HB+ 16 ILE HA 3.50 (# 72:20 Unique 1.89, 2.40 A)
&rst
ixpk= 72, nxpk= 20, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1126,1127,
&end
#
# 16 ILE QG2 16 ILE HA 3.50 (# 73:20 Unique 2.17, 3.05 A)
&rst
ixpk= 73, nxpk= 20, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 245, 246, 247,
&end
#
# 66 TYR HD 66 TYR HA 3.50 (# 74:20 Unique 2.20, 3.67 A)
&rst
ixpk= 74, nxpk= 20, iat= -1,1013, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1019,1028,
&end
#
# 66 TYR HN 66 TYR HA 3.50 (# 75:20 Unique 2.73, 2.78 A)
&rst
ixpk= 75, nxpk= 20, iat=1011,1013, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 TYR HB- 66 TYR HA 3.50 (# 76:20 Unique 2.25, 2.66 A)
&rst
ixpk= 76, nxpk= 20, iat= -1,1013, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1015,1016,
&end
#
# 69 ALA MB 66 TYR HA 3.50 (# 77:20 Unique 3.58, 4.68 A)
&rst
ixpk= 77, nxpk= 20, iat= -1,1013, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1064,1065,1066,
&end
#
# 79 LYS HN 79 LYS HA 3.50 (# 78:20 Unique 2.78, 2.87 A)
&rst
ixpk= 78, nxpk= 20, iat=1204,1206, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:79 79 LYS HA 3.50 (# 79:20 Single Ambig)
&rst
ixpk= 79, nxpk= 20, iat= -1,1206, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1214,1215,1208,1209,
&end
#
# 79 LYS HB+ 79 LYS HA 3.50 (# 80:20 Unique 2.39, 2.77 A)
&rst
ixpk= 80, nxpk= 20, iat= -1,1206, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1208,1209,
&end
#
# 79 LYS HG- 79 LYS HA 3.50 (# 81:20 Unique 2.41, 3.28 A)
&rst
ixpk= 81, nxpk= 20, iat= -1,1206, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1211,1212,
&end
#
# 79 LYS HG+ 79 LYS HA 4.50 (# 82:20 Unique 2.41, 3.28 A)
&rst
ixpk= 82, nxpk= 20, iat= -1,1206, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1211,1212,
&end
#
# 115 HIS HB+ 115 HIS HA 2.80 (# 83:20 Unique 2.37, 2.80 A)
&rst
ixpk= 83, nxpk= 20, iat= -1,1784, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1786,1787,
&end
#
# 0 AMB 20-2:84 115 HIS HA 3.50 (# 84:20 Single Ambig)
&rst
ixpk= 84, nxpk= 20, iat= -1,1784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1782,1835,
&end
#
# 118 ASN HB- 115 HIS HA 3.50 (# 85:20 Unique 2.37, 3.19 A)
&rst
ixpk= 85, nxpk= 20, iat= -1,1784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1839,1840,
&end
#
# 0 AMB 20-2:86 111 GLU HA 3.50 (# 86:20 Single Ambig)
&rst
ixpk= 86, nxpk= 20, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1734,1735,1734,1735,
&end
#
# 111 GLU HB- 111 GLU HA 3.50 (# 87:20 Unique 2.39, 2.79 A)
&rst
ixpk= 87, nxpk= 20, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1731,1732,
&end
#
# 111 GLU HB+ 111 GLU HA 3.50 (# 88:20 Unique 2.39, 2.79 A)
&rst
ixpk= 88, nxpk= 20, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1731,1732,
&end
#
# 105 LEU HN 104 VAL HA 2.80 (# 89:20 Unique 2.68, 2.71 A)
&rst
ixpk= 89, nxpk= 20, iat=1621,1607, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 104 VAL MGX 104 VAL HA 2.80 (# 90:20 Unique 2.49, 3.50 A)
&rst
ixpk= 90, nxpk= 20, iat= -1,1607, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1611,1612,1613,1615,1616,1617,
&end
#
# 104 VAL MGY 104 VAL HA 3.50 (# 91:20 Unique 2.49, 3.50 A)
&rst
ixpk= 91, nxpk= 20, iat= -1,1607, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1611,1612,1613,1615,1616,1617,
&end
#
# 104 VAL HB 104 VAL HA 3.50 (# 92:20 Unique 2.38, 2.43 A)
&rst
ixpk= 92, nxpk= 20, iat=1609,1607, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:93 104 VAL HA 4.50 (# 93:20 Single Ambig)
&rst
ixpk= 93, nxpk= 20, iat= -1,1607, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1628,1625,1626,
&end
#
# 123 GLY HN 119 GLU HA 3.50 (# 94:20 Unique 2.36, 2.65 A)
&rst
ixpk= 94, nxpk= 20, iat=1928,1851, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 119 GLU HG+ 119 GLU HA 3.50 (# 96:20 Unique 2.04, 3.06 A)
&rst
ixpk= 96, nxpk= 20, iat= -1,1851, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1856,1857,
&end
#
# 0 AMB 20-2:97 119 GLU HA 2.80 (# 97:20 Single Ambig)
&rst
ixpk= 97, nxpk= 20, iat= -1,1851, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1856,1857,1853,1854,
&end
#
# 97 GLU HN 97 GLU HA 3.50 (# 98:20 Unique 2.83, 2.87 A)
&rst
ixpk= 98, nxpk= 20, iat=1501,1503, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 GLU HG- 97 GLU HA 3.50 (# 99:20 Unique 2.46, 3.39 A)
&rst
ixpk= 99, nxpk= 20, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1508,1509,
&end
#
# 97 GLU HG+ 97 GLU HA 3.50 (# 100:20 Unique 2.46, 3.39 A)
&rst
ixpk= 100, nxpk= 20, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1508,1509,
&end
#
# 0 AMB 20-2:101 97 GLU HA 2.80 (# 101:20 Single Ambig)
&rst
ixpk= 101, nxpk= 20, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1505,1506,1505,1506,
&end
#
# 100 VAL MGX 97 GLU HA 2.80 (# 102:20 Unique 2.03, 3.98 A)
&rst
ixpk= 102, nxpk= 20, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1556,1557,1558,1560,1561,1562,
&end
#
# 114 GLU HG+ 114 GLU HA 3.50 (# 103:20 Unique 2.11, 2.81 A)
&rst
ixpk= 103, nxpk= 20, iat= -1,1769, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1774,1775,
&end
#
# 117 VAL MGX 114 GLU HA 2.80 (# 104:20 Unique 1.97, 3.56 A)
&rst
ixpk= 104, nxpk= 20, iat= -1,1769, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1825,1826,1827,1829,1830,1831,
&end
#
# 114 GLU HG- 114 GLU HA 3.50 (# 105:20 Unique 2.11, 2.81 A)
&rst
ixpk= 105, nxpk= 20, iat= -1,1769, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1774,1775,
&end
#
# 0 AMB 20-2:106 94 GLN HA 3.50 (# 106:20 Single Ambig)
&rst
ixpk= 106, nxpk= 20, iat= -1,1452, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1462,1463,1450,
&end
#
# 94 GLN HB- 94 GLN HA 2.80 (# 107:20 Unique 2.27, 2.67 A)
&rst
ixpk= 107, nxpk= 20, iat= -1,1452, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1454,1455,
&end
#
# 94 GLN HG- 94 GLN HA 3.50 (# 108:20 Unique 2.32, 3.29 A)
&rst
ixpk= 108, nxpk= 20, iat= -1,1452, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1457,1458,
&end
#
# 94 GLN HB+ 94 GLN HA 2.80 (# 109:20 Unique 2.27, 2.67 A)
&rst
ixpk= 109, nxpk= 20, iat= -1,1452, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1454,1455,
&end
#
# 27 TYR HN 26 ILE HA 3.50 (# 110:20 Unique 2.14, 2.18 A)
&rst
ixpk= 110, nxpk= 20, iat= 451, 434, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 ILE HG1+ 26 ILE HA 3.50 (# 111:20 Unique 2.01, 2.85 A)
&rst
ixpk= 111, nxpk= 20, iat= -1, 434, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 442, 443,
&end
#
# 0 AMB 20-2:112 26 ILE HA 3.50 (# 112:20 Single Ambig)
&rst
ixpk= 112, nxpk= 20, iat= -1, 434, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 436, 215, 216,
&end
#
# 26 ILE HG1- 26 ILE HA 3.50 (# 113:20 Unique 2.01, 2.85 A)
&rst
ixpk= 113, nxpk= 20, iat= -1, 434, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 442, 443,
&end
#
# 0 AMB 20-2:117 0 AMB 20-1:117 2.80 (# 117:20 Double Ambig)
&rst
ixpk= 117, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 645, 646, 785, 786,
igr2= 643, 783,
&end
#
# 121 ARG HB+ 121 ARG HA 3.50 (# 118:20 Unique 2.35, 2.68 A)
&rst
ixpk= 118, nxpk= 20, iat= -1,1885, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1887,1888,
&end
#
# 92 ILE QG2 121 ARG HA 3.50 (# 119:20 Unique 2.05, 4.26 A)
&rst
ixpk= 119, nxpk= 20, iat= -1,1885, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1418,1419,1420,
&end
#
# 92 ILE QD1 121 ARG HA 3.50 (# 120:20 Unique 2.09, 3.90 A)
&rst
ixpk= 120, nxpk= 20, iat= -1,1885, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1425,1426,1427,
&end
#
# 4 PRO HD- 5 ILE HA 5.50 (# 121:20 Unique 4.79, 5.65 A)
&rst
ixpk= 121, nxpk= 20, iat= -1, 71, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 56, 57,
&end
#
# 0 AMB 20-2:122 49 SER HA 2.80 (# 122:20 Single Ambig)
&rst
ixpk= 122, nxpk= 20, iat= -1, 739, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 741, 742, 741, 742,
&end
#
# 98 GLU HN 98 GLU HA 3.50 (# 123:20 Unique 2.90, 2.92 A)
&rst
ixpk= 123, nxpk= 20, iat=1516,1518, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 98 GLU HB+ 98 GLU HA 2.80 (# 124:20 Unique 2.26, 2.76 A)
&rst
ixpk= 124, nxpk= 20, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1520,1521,
&end
#
# 98 GLU HG+ 98 GLU HA 3.50 (# 125:20 Unique 2.34, 2.97 A)
&rst
ixpk= 125, nxpk= 20, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1523,1524,
&end
#
# 98 GLU HB- 98 GLU HA 3.50 (# 126:20 Unique 2.26, 2.76 A)
&rst
ixpk= 126, nxpk= 20, iat= -1,1518, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1520,1521,
&end
#
# 95 ARG HN 95 ARG HA 3.50 (# 127:20 Unique 2.77, 2.82 A)
&rst
ixpk= 127, nxpk= 20, iat=1467,1469, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 LEU HG 95 ARG HA 4.50 (# 128:20 Unique 3.41, 3.56 A)
&rst
ixpk= 128, nxpk= 20, iat=1538,1469, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 ARG HG+ 95 ARG HA 3.50 (# 129:20 Unique 2.19, 3.10 A)
&rst
ixpk= 129, nxpk= 20, iat= -1,1469, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1474,1475,
&end
#
# 71 SER HB- 71 SER HA 3.50 (# 130:20 Unique 2.26, 2.76 A)
&rst
ixpk= 130, nxpk= 20, iat= -1,1079, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1081,1082,
&end
#
# 71 SER HB+ 71 SER HA 3.50 (# 131:20 Unique 2.26, 2.76 A)
&rst
ixpk= 131, nxpk= 20, iat= -1,1079, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1081,1082,
&end
#
# 15 GLU HN 14 ILE HA 3.50 (# 132:20 Unique 2.16, 2.21 A)
&rst
ixpk= 132, nxpk= 20, iat= 224, 207, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:133 14 ILE HA 3.50 (# 133:20 Single Ambig)
&rst
ixpk= 133, nxpk= 20, iat= -1, 207, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 218, 219, 220, 211, 212, 213,
&end
#
# 91 LYS HN 91 LYS HA 3.50 (# 134:20 Unique 2.74, 2.79 A)
&rst
ixpk= 134, nxpk= 20, iat=1390,1392, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 GLN HB- 91 LYS HA 3.50 (# 135:20 Unique 2.19, 3.41 A)
&rst
ixpk= 135, nxpk= 20, iat= -1,1392, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1454,1455,
&end
#
# 94 GLN HB+ 91 LYS HA 3.50 (# 136:20 Unique 2.19, 3.41 A)
&rst
ixpk= 136, nxpk= 20, iat= -1,1392, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1454,1455,
&end
#
# 91 LYS HB+ 91 LYS HA 2.80 (# 137:20 Unique 2.51, 2.81 A)
&rst
ixpk= 137, nxpk= 20, iat= -1,1392, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1394,1395,
&end
#
# 91 LYS HG- 91 LYS HA 3.50 (# 138:20 Unique 2.38, 3.19 A)
&rst
ixpk= 138, nxpk= 20, iat= -1,1392, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1397,1398,
&end
#
# 65 LEU HB+ 65 LEU HA 3.50 (# 139:20 Unique 2.60, 2.83 A)
&rst
ixpk= 139, nxpk= 20, iat= -1, 994, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 996, 997,
&end
#
# 65 LEU MDX 65 LEU HA 3.50 (# 140:20 Unique 2.19, 3.92 A)
&rst
ixpk= 140, nxpk= 20, iat= -1, 994, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1001,1002,1003,1005,1006,1007,
&end
#
# 0 AMB 20-2:141 65 LEU HA 3.50 (# 141:20 Single Ambig)
&rst
ixpk= 141, nxpk= 20, iat= -1, 994, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 541, 542, 543, 545, 546, 547,1050,1051,1052,1054,
1055,1056,1050,1051,1052,1054,1055,1056,
&end
#
# 34 VAL HN 33 VAL HA 3.50 (# 142:20 Unique 2.19, 2.24 A)
&rst
ixpk= 142, nxpk= 20, iat= 551, 537, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 VAL HN 33 VAL HA 3.50 (# 143:20 Unique 2.38, 2.79 A)
&rst
ixpk= 143, nxpk= 20, iat= 472, 537, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 TYR HA 33 VAL HA 3.50 (# 144:20 Unique 2.51, 2.82 A)
&rst
ixpk= 144, nxpk= 20, iat= 453, 537, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 VAL HB 33 VAL HA 3.50 (# 145:20 Unique 2.33, 2.46 A)
&rst
ixpk= 145, nxpk= 20, iat= 539, 537, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 VAL MGX 33 VAL HA 3.50 (# 146:20 Unique 2.24, 3.47 A)
&rst
ixpk= 146, nxpk= 20, iat= -1, 537, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 541, 542, 543, 545, 546, 547,
&end
#
# 120 LEU HB+ 120 LEU HA 3.50 (# 147:20 Unique 2.27, 2.62 A)
&rst
ixpk= 147, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1868,1869,
&end
#
# 120 LEU HG 120 LEU HA 3.50 (# 148:20 Unique 3.37, 3.50 A)
&rst
ixpk= 148, nxpk= 20, iat=1871,1866, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 120 LEU MDX 120 LEU HA 3.50 (# 149:20 Unique 2.23, 4.03 A)
&rst
ixpk= 149, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 18 ARG HN 17 PHE HA 3.50 (# 150:20 Unique 2.15, 2.17 A)
&rst
ixpk= 150, nxpk= 20, iat= 278, 260, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 PHE HB- 17 PHE HA 2.80 (# 151:20 Unique 2.34, 2.79 A)
&rst
ixpk= 151, nxpk= 20, iat= -1, 260, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 262, 263,
&end
#
# 67 ASP HN 67 ASP HA 3.50 (# 152:20 Unique 2.85, 2.91 A)
&rst
ixpk= 152, nxpk= 20, iat=1032,1034, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 ASN HB- 118 ASN HA 3.50 (# 153:20 Unique 2.56, 2.84 A)
&rst
ixpk= 153, nxpk= 20, iat= -1,1837, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1839,1840,
&end
#
# 0 AMB 20-2:154 67 ASP HA 2.80 (# 154:20 Single Ambig)
&rst
ixpk= 154, nxpk= 20, iat= -1,1034, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1036,1037,1036,1037,
&end
#
# 42 VAL HN 41 GLU HA 3.50 (# 155:20 Unique 2.14, 2.29 A)
&rst
ixpk= 155, nxpk= 20, iat= 667, 654, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 GLU HB- 41 GLU HA 3.50 (# 157:20 Unique 2.39, 2.74 A)
&rst
ixpk= 157, nxpk= 20, iat= -1, 654, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 656, 657,
&end
#
# 41 GLU HB+ 41 GLU HA 3.50 (# 158:20 Unique 2.39, 2.74 A)
&rst
ixpk= 158, nxpk= 20, iat= -1, 654, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 656, 657,
&end
#
# 83 LYS HB+ 83 LYS HA 2.80 (# 159:20 Unique 2.31, 2.57 A)
&rst
ixpk= 159, nxpk= 20, iat= -1,1269, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1271,1272,
&end
#
# 51 MET HB+ 51 MET HA 3.50 (# 160:20 Unique 2.37, 2.75 A)
&rst
ixpk= 160, nxpk= 20, iat= -1, 766, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 768, 769,
&end
#
# 102 GLN HG- 102 GLN HA 3.50 (# 161:20 Unique 2.18, 3.27 A)
&rst
ixpk= 161, nxpk= 20, iat= -1,1575, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1580,1581,
&end
#
# 103 GLU HN 102 GLN HA 2.80 (# 162:20 Unique 2.38, 2.46 A)
&rst
ixpk= 162, nxpk= 20, iat=1590,1575, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 102 GLN HB+ 102 GLN HA 2.80 (# 163:20 Unique 2.27, 2.63 A)
&rst
ixpk= 163, nxpk= 20, iat= -1,1575, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1577,1578,
&end
#
# 73 LYS HB- 73 LYS HA 2.80 (# 164:20 Unique 2.32, 2.65 A)
&rst
ixpk= 164, nxpk= 20, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1104,1105,
&end
#
# 73 LYS HG- 73 LYS HA 3.50 (# 165:20 Unique 2.06, 3.24 A)
&rst
ixpk= 165, nxpk= 20, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1107,1108,
&end
#
# 73 LYS HN 73 LYS HA 3.50 (# 166:20 Unique 2.28, 2.84 A)
&rst
ixpk= 166, nxpk= 20, iat=1100,1102, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 TYR HN 73 LYS HA 2.80 (# 167:20 Unique 2.14, 2.35 A)
&rst
ixpk= 167, nxpk= 20, iat=1122,1102, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 25 ALA HN 24 TRP HA 2.80 (# 168:20 Unique 2.19, 2.22 A)
&rst
ixpk= 168, nxpk= 20, iat= 422, 400, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 24 TRP HB- 24 TRP HA 3.50 (# 169:20 Unique 2.67, 2.83 A)
&rst
ixpk= 169, nxpk= 20, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 402, 403,
&end
#
# 0 AMB 20-2:170 0 AMB 20-1:170 2.80 (# 170:20 Double Ambig)
&rst
ixpk= 170, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1683,1751,1752,
igr2=1685,1663,
&end
#
# 107 LYS HN 107 LYS HA 3.50 (# 171:20 Unique 2.80, 2.83 A)
&rst
ixpk= 171, nxpk= 20, iat=1661,1663, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 107 LYS HB+ 107 LYS HA 2.80 (# 172:20 Unique 2.29, 2.77 A)
&rst
ixpk= 172, nxpk= 20, iat= -1,1663, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1665,1666,
&end
#
# 0 AMB 20-2:173 0 AMB 20-1:173 3.50 (# 173:20 Double Ambig)
&rst
ixpk= 173, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1668,1669,1690,
igr2=1663,1685,
&end
#
# 108 LEU HB+ 108 LEU HA 3.50 (# 174:20 Unique 2.32, 2.78 A)
&rst
ixpk= 174, nxpk= 20, iat= -1,1685, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1687,1688,
&end
#
# 108 LEU MDX 108 LEU HA 3.50 (# 175:20 Unique 1.96, 3.68 A)
&rst
ixpk= 175, nxpk= 20, iat= -1,1685, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1692,1693,1694,1696,1697,1698,
&end
#
# 109 THR HN 108 LEU HA 3.50 (# 176:20 Unique 2.14, 2.37 A)
&rst
ixpk= 176, nxpk= 20, iat=1702,1685, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 57 LYS HB- 57 LYS HA 3.50 (# 177:20 Unique 2.34, 2.68 A)
&rst
ixpk= 177, nxpk= 20, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 851, 852,
&end
#
# 57 LYS HB+ 57 LYS HA 3.50 (# 178:20 Unique 2.34, 2.68 A)
&rst
ixpk= 178, nxpk= 20, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 851, 852,
&end
#
# 0 AMB 20-2:179 57 LYS HA 3.50 (# 179:20 Single Ambig)
&rst
ixpk= 179, nxpk= 20, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 854, 855, 854, 855,
&end
#
# 106 TYR HN 106 TYR HA 3.50 (# 180:20 Unique 2.82, 2.91 A)
&rst
ixpk= 180, nxpk= 20, iat=1640,1642, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 106 TYR HB+ 106 TYR HA 3.50 (# 181:20 Unique 2.35, 2.48 A)
&rst
ixpk= 181, nxpk= 20, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1644,1645,
&end
#
# 30 ASP HB+ 30 ASP HA 3.50 (# 182:20 Unique 2.33, 2.78 A)
&rst
ixpk= 182, nxpk= 20, iat= -1, 497, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 499, 500,
&end
#
# 54 LEU MDX 54 LEU HA 3.50 (# 184:20 Unique 2.03, 3.91 A)
&rst
ixpk= 184, nxpk= 20, iat= -1, 804, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 811, 812, 813, 815, 816, 817,
&end
#
# 99 LEU HG 99 LEU HA 3.50 (# 185:20 Unique 2.81, 3.19 A)
&rst
ixpk= 185, nxpk= 20, iat=1538,1533, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:186 96 ALA HA 3.50 (# 186:20 Single Ambig)
&rst
ixpk= 186, nxpk= 20, iat= -1,1493, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1491,1501,
&end
#
# 96 ALA MB 96 ALA HA 2.80 (# 187:20 Unique 2.22, 2.63 A)
&rst
ixpk= 187, nxpk= 20, iat= -1,1493, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1495,1496,1497,
&end
#
# 99 LEU MDY 96 ALA HA 3.50 (# 188:20 Unique 1.99, 5.48 A)
&rst
ixpk= 188, nxpk= 20, iat= -1,1493, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1540,1541,1542,1544,1545,1546,
&end
#
# 120 LEU MDX 96 ALA HA 3.50 (# 189:20 Unique 2.02, 3.72 A)
&rst
ixpk= 189, nxpk= 20, iat= -1,1493, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 120 LEU MDY 96 ALA HA 3.50 (# 190:20 Unique 2.02, 3.72 A)
&rst
ixpk= 190, nxpk= 20, iat= -1,1493, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 112 ASN HN 112 ASN HA 3.50 (# 191:20 Unique 2.76, 2.82 A)
&rst
ixpk= 191, nxpk= 20, iat=1742,1744, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 115 HIS HB+ 112 ASN HA 3.50 (# 192:20 Unique 2.29, 2.87 A)
&rst
ixpk= 192, nxpk= 20, iat= -1,1744, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1786,1787,
&end
#
# 112 ASN HB- 112 ASN HA 3.50 (# 193:20 Unique 2.49, 2.81 A)
&rst
ixpk= 193, nxpk= 20, iat= -1,1744, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1746,1747,
&end
#
# 112 ASN HB+ 112 ASN HA 3.50 (# 194:20 Unique 2.49, 2.81 A)
&rst
ixpk= 194, nxpk= 20, iat= -1,1744, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1746,1747,
&end
#
# 99 LEU HB- 99 LEU HA 3.50 (# 195:20 Unique 2.38, 2.72 A)
&rst
ixpk= 195, nxpk= 20, iat= -1,1533, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1535,1536,
&end
#
# 99 LEU MDX 99 LEU HA 3.50 (# 196:20 Unique 1.99, 3.83 A)
&rst
ixpk= 196, nxpk= 20, iat= -1,1533, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1540,1541,1542,1544,1545,1546,
&end
#
# 99 LEU HN 99 LEU HA 3.50 (# 197:20 Unique 2.92, 2.93 A)
&rst
ixpk= 197, nxpk= 20, iat=1531,1533, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:198 99 LEU HA 3.50 (# 198:20 Single Ambig)
&rst
ixpk= 198, nxpk= 20, iat= -1,1533, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1580,1581,1523,1524,
&end
#
# 32 TYR HA 64 LEU HA 3.50 (# 199:20 Unique 2.21, 2.57 A)
&rst
ixpk= 199, nxpk= 20, iat= 516, 975, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 LEU HN 64 LEU HA 3.50 (# 200:20 Unique 2.14, 2.14 A)
&rst
ixpk= 200, nxpk= 20, iat= 992, 975, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 LEU MDX 64 LEU HA 3.50 (# 201:20 Unique 1.96, 3.81 A)
&rst
ixpk= 201, nxpk= 20, iat= -1, 975, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 982, 983, 984, 986, 987, 988,
&end
#
# 69 ALA MB 69 ALA HA 2.80 (# 202:20 Unique 2.22, 2.63 A)
&rst
ixpk= 202, nxpk= 20, iat= -1,1062, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1064,1065,1066,
&end
#
# 16 ILE QG2 69 ALA HA 3.50 (# 203:20 Unique 2.05, 3.91 A)
&rst
ixpk= 203, nxpk= 20, iat= -1,1062, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 245, 246, 247,
&end
#
# 0 AMB 20-2:204 0 AMB 20-1:204 3.50 (# 204:20 Double Ambig)
&rst
ixpk= 204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 252, 253, 254,1873,1874,1875,1877,1878,1879,
igr2=1062,1493,
&end
#
# 69 ALA HN 69 ALA HA 3.50 (# 205:20 Unique 2.73, 2.78 A)
&rst
ixpk= 205, nxpk= 20, iat=1060,1062, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 75 GLN HN 74 TYR HA 3.50 (# 206:20 Unique 2.24, 2.41 A)
&rst
ixpk= 206, nxpk= 20, iat=1143,1124, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 ILE HA 74 TYR HA 3.50 (# 207:20 Unique 2.07, 2.73 A)
&rst
ixpk= 207, nxpk= 20, iat= 241,1124, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 TYR HB+ 74 TYR HA 2.80 (# 208:20 Unique 2.32, 2.46 A)
&rst
ixpk= 208, nxpk= 20, iat= -1,1124, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1126,1127,
&end
#
# 63 GLU HN 62 LYS HA 2.80 (# 209:20 Unique 2.14, 2.15 A)
&rst
ixpk= 209, nxpk= 20, iat= 958, 938, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 62 LYS HB+ 62 LYS HA 3.50 (# 210:20 Unique 2.37, 2.71 A)
&rst
ixpk= 210, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 940, 941,
&end
#
# 34 VAL HA 62 LYS HA 3.50 (# 211:20 Unique 1.99, 2.21 A)
&rst
ixpk= 211, nxpk= 20, iat= 553, 938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 VAL MGY 62 LYS HA 3.50 (# 212:20 Unique 2.61, 4.32 A)
&rst
ixpk= 212, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 557, 558, 559, 561, 562, 563,
&end
#
# 24 TRP HN 23 HIS HA 3.50 (# 213:20 Unique 2.14, 2.16 A)
&rst
ixpk= 213, nxpk= 20, iat= 398, 383, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 HIS HB+ 23 HIS HA 3.50 (# 214:20 Unique 2.56, 2.84 A)
&rst
ixpk= 214, nxpk= 20, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 385, 386,
&end
#
# 57 LYS HN 56 ASP HA 3.50 (# 215:20 Unique 2.48, 2.68 A)
&rst
ixpk= 215, nxpk= 20, iat= 847, 837, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:216 56 ASP HA 2.80 (# 216:20 Single Ambig)
&rst
ixpk= 216, nxpk= 20, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 839, 840, 839, 840,
&end
#
# 0 AMB 20-2:217 0 AMB 20-1:217 3.50 (# 217:20 Double Ambig)
&rst
ixpk= 217, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 102,1621,
igr2= 104,1623,
&end
#
# 0 AMB 20-2:218 105 LEU HA 2.80 (# 218:20 Single Ambig)
&rst
ixpk= 218, nxpk= 20, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1625,1626,1628,
&end
#
# 105 LEU MDY 105 LEU HA 3.50 (# 219:20 Unique 2.00, 3.17 A)
&rst
ixpk= 219, nxpk= 20, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1630,1631,1632,1634,1635,1636,
&end
#
# 15 GLU HG+ 15 GLU HA 3.50 (# 220:20 Unique 2.19, 3.06 A)
&rst
ixpk= 220, nxpk= 20, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 231, 232,
&end
#
# 16 ILE HN 15 GLU HA 2.80 (# 221:20 Unique 2.14, 2.15 A)
&rst
ixpk= 221, nxpk= 20, iat= 239, 226, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 6 PRO HD+ 7 GLU HA 5.50 (# 222:20 Unique 4.74, 5.77 A)
&rst
ixpk= 222, nxpk= 20, iat= -1, 104, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 89, 90,
&end
#
# 8 PRO HD+ 7 GLU HA 3.50 (# 223:20 Unique 2.08, 2.81 A)
&rst
ixpk= 223, nxpk= 20, iat= -1, 104, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 118, 119,
&end
#
# 0 AMB 20-2:225 87 LEU HA 5.50 (# 225:20 Single Ambig)
&rst
ixpk= 225, nxpk= 20, iat= -1,1337, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1322,1323,1414,
&end
#
# 0 AMB 20-2:226 87 LEU HA 3.50 (# 226:20 Single Ambig)
&rst
ixpk= 226, nxpk= 20, iat= -1,1337, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1339,1340,1397,1398,1342,
&end
#
# 87 LEU MDX 87 LEU HA 3.50 (# 227:20 Unique 1.96, 3.86 A)
&rst
ixpk= 227, nxpk= 20, iat= -1,1337, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1344,1345,1346,1348,1349,1350,
&end
#
# 0 AMB 20-2:228 36 LEU HA 3.50 (# 228:20 Single Ambig)
&rst
ixpk= 228, nxpk= 20, iat= -1, 586, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 588, 589, 904, 905, 906, 908, 909, 910,
&end
#
# 125 ALA HN 125 ALA HA 3.50 (# 229:20 Unique 2.28, 2.81 A)
&rst
ixpk= 229, nxpk= 20, iat=1951,1953, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 ALA MB 125 ALA HA 3.50 (# 230:20 Unique 2.22, 2.63 A)
&rst
ixpk= 230, nxpk= 20, iat= -1,1953, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1955,1956,1957,
&end
#
# 0 AMB 20-2:231 0 AMB 20-1:231 2.80 (# 231:20 Double Ambig)
&rst
ixpk= 231, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1= 704, 705, 706, 731, 732, 733, 687, 688, 689,
igr2= 702, 729, 685,
&end
#
# 79 LYS HN 78 ASN HA 3.50 (# 232:20 Unique 2.14, 2.19 A)
&rst
ixpk= 232, nxpk= 20, iat=1204,1192, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:233 78 ASN HA 3.50 (# 233:20 Single Ambig)
&rst
ixpk= 233, nxpk= 20, iat= -1,1192, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 190, 191,1194,1195,
&end
#
# 13 LEU HG 78 ASN HA 3.50 (# 234:20 Unique 2.92, 3.45 A)
&rst
ixpk= 234, nxpk= 20, iat= 193,1192, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:235 0 AMB 20-1:235 3.50 (# 235:20 Double Ambig)
&rst
ixpk= 235, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 65, 71,
igr2= 56, 57, 56, 57,
&end
#
# 59 ILE HN 58 ALA HA 2.80 (# 237:20 Unique 2.53, 2.65 A)
&rst
ixpk= 237, nxpk= 20, iat= 879, 871, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 58 ALA HN 58 ALA HA 3.50 (# 238:20 Unique 2.90, 2.93 A)
&rst
ixpk= 238, nxpk= 20, iat= 869, 871, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 38 PRO HA 58 ALA HA 3.50 (# 239:20 Unique 2.77, 3.01 A)
&rst
ixpk= 239, nxpk= 20, iat= 623, 871, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 39 PRO HD+ 58 ALA HA 3.50 (# 240:20 Unique 1.98, 3.01 A)
&rst
ixpk= 240, nxpk= 20, iat= -1, 871, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 628, 629,
&end
#
# 0 AMB 20-2:241 58 ALA HA 2.80 (# 241:20 Single Ambig)
&rst
ixpk= 241, nxpk= 20, iat= -1, 871, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 873, 874, 875,1692,1693,1694,1696,1697,1698,
&end
#
# 10 PRO HG+ 10 PRO HD+ 3.50 (# 246:20 Unique 2.30, 2.58 A)
&rst
ixpk= 246, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 157, 158,
igr2= 154, 155,
&end
#
# 10 PRO HG+ 10 PRO HD- 3.50 (# 249:20 Unique 2.30, 2.58 A)
&rst
ixpk= 249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 157, 158,
igr2= 154, 155,
&end
#
# 4 PRO HG+ 4 PRO HD+ 2.80 (# 250:20 Unique 2.30, 2.58 A)
&rst
ixpk= 250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 59, 60,
igr2= 56, 57,
&end
#
# 4 PRO HG+ 4 PRO HD- 2.80 (# 251:20 Unique 2.30, 2.58 A)
&rst
ixpk= 251, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 59, 60,
igr2= 56, 57,
&end
#
# 3 ALA MB 3 ALA HA 3.50 (# 254:20 Unique 2.22, 2.63 A)
&rst
ixpk= 254, nxpk= 20, iat= -1, 47, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 49, 50, 51,
&end
#
# 5 ILE HA 6 PRO HD+ 2.80 (# 255:20 Unique 2.16, 2.67 A)
&rst
ixpk= 255, nxpk= 20, iat= 71, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 89, 90,
&end
#
# 0 AMB 20-2:256 0 AMB 20-1:256 3.50 (# 256:20 Double Ambig)
&rst
ixpk= 256, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 104, 71,
igr2= 118, 119, 118, 119,
&end
#
# 6 PRO HD+ 8 PRO HD+ 3.50 (# 257:20 Unique 3.40, 4.82 A)
&rst
ixpk= 257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 89, 90,
igr2= 118, 119,
&end
#
# 6 PRO HD+ 8 PRO HD- 3.50 (# 258:20 Unique 3.40, 4.82 A)
&rst
ixpk= 258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 89, 90,
igr2= 118, 119,
&end
#
# 5 ILE HB 6 PRO HD- 4.50 (# 262:20 Unique 4.45, 4.81 A)
&rst
ixpk= 262, nxpk= 20, iat= 73, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 89, 90,
&end
#
# 38 PRO HA 39 PRO HD+ 3.50 (# 263:20 Unique 2.30, 2.39 A)
&rst
ixpk= 263, nxpk= 20, iat= 623, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 628, 629,
&end
#
# 7 GLU HG- 6 PRO HD+ 4.50 (# 267:20 Unique 4.36, 6.08 A)
&rst
ixpk= 267, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 109, 110,
igr2= 89, 90,
&end
#
# 37 ALA MB 38 PRO HD+ 3.50 (# 268:20 Unique 1.99, 3.37 A)
&rst
ixpk= 268, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 607, 608, 609,
igr2= 614, 615,
&end
#
# 0 AMB 20-2:270 0 AMB 20-1:270 2.80 (# 270:20 Double Ambig)
&rst
ixpk= 270, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1= 59, 60, 631, 632, 92, 93, 617, 618,
igr2= 89, 90, 628, 629, 89, 90, 614, 615,
&end
#
# 37 ALA MB 38 PRO HD- 3.50 (# 273:20 Unique 1.99, 3.37 A)
&rst
ixpk= 273, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 607, 608, 609,
igr2= 614, 615,
&end
#
# 38 PRO HG- 38 PRO HD- 2.80 (# 275:20 Unique 2.30, 2.58 A)
&rst
ixpk= 275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 617, 618,
igr2= 614, 615,
&end
#
# 0 AMB 20-2:280 0 AMB 20-1:280 3.50 (# 280:20 Double Ambig)
&rst
ixpk= 280, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1293,1294,1325,1326,
igr2=1322,1323,1322,1323,
&end
#
# 87 LEU HA 86 PRO HD- 5.50 (# 282:20 Unique 5.10, 5.99 A)
&rst
ixpk= 282, nxpk= 20, iat=1337, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1322,1323,
&end
#
# 0 AMB 20-2:284 86 PRO HD- 3.50 (# 284:20 Single Ambig)
&rst
ixpk= 284, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1293,1294,1325,1326,
igr2=1322,1323,
&end
#
# 70 GLY HN 70 GLY HA- 3.50 (# 285:20 Unique 2.29, 2.66 A)
&rst
ixpk= 285, nxpk= 20, iat=1070, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1072,1073,
&end
#
# 70 GLY HN 70 GLY HA+ 3.50 (# 288:20 Unique 2.29, 2.66 A)
&rst
ixpk= 288, nxpk= 20, iat=1070, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1072,1073,
&end
#
# 123 GLY HN 123 GLY HA+ 3.50 (# 289:20 Unique 2.51, 2.79 A)
&rst
ixpk= 289, nxpk= 20, iat=1928, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1930,1931,
&end
#
# 92 ILE QG2 11 GLY HA- 3.50 (# 291:20 Unique 1.97, 3.23 A)
&rst
ixpk= 291, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1418,1419,1420,
igr2= 169, 170,
&end
#
# 31 GLY HN 31 GLY HA- 3.50 (# 292:20 Unique 2.30, 2.72 A)
&rst
ixpk= 292, nxpk= 20, iat= 507, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 509, 510,
&end
#
# 31 GLY HN 31 GLY HA+ 3.50 (# 294:20 Unique 2.30, 2.72 A)
&rst
ixpk= 294, nxpk= 20, iat= 507, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 509, 510,
&end
#
# 92 ILE QG2 11 GLY HA+ 3.50 (# 296:20 Unique 1.97, 3.23 A)
&rst
ixpk= 296, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1418,1419,1420,
igr2= 169, 170,
&end
#
# 101 GLY HN 101 GLY HA+ 3.50 (# 297:20 Unique 2.30, 2.63 A)
&rst
ixpk= 297, nxpk= 20, iat=1566, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1568,1569,
&end
#
# 101 GLY HN 101 GLY HA- 3.50 (# 299:20 Unique 2.30, 2.63 A)
&rst
ixpk= 299, nxpk= 20, iat=1566, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1568,1569,
&end
#
# 60 VAL MGY 99 LEU HB- 4.50 (# 302:20 Unique 2.65, 4.86 A)
&rst
ixpk= 302, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 904, 905, 906, 908, 909, 910,
igr2=1535,1536,
&end
#
# 99 LEU HG 99 LEU HB- 3.50 (# 303:20 Unique 2.36, 2.73 A)
&rst
ixpk= 303, nxpk= 20, iat=1538, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1535,1536,
&end
#
# 60 VAL MGX 99 LEU HB+ 3.50 (# 305:20 Unique 2.65, 4.86 A)
&rst
ixpk= 305, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 904, 905, 906, 908, 909, 910,
igr2=1535,1536,
&end
#
# 95 ARG HG- 95 ARG HD+ 3.50 (# 310:20 Unique 2.22, 2.71 A)
&rst
ixpk= 310, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1474,1475,
igr2=1477,1478,
&end
#
# 95 ARG HA 95 ARG HD+ 3.50 (# 311:20 Unique 2.15, 3.32 A)
&rst
ixpk= 311, nxpk= 20, iat=1469, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1477,1478,
&end
#
# 95 ARG HG- 95 ARG HD- 3.50 (# 314:20 Unique 2.22, 2.71 A)
&rst
ixpk= 314, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1474,1475,
igr2=1477,1478,
&end
#
# 26 ILE QG2 26 ILE HB 3.50 (# 316:20 Unique 2.22, 2.63 A)
&rst
ixpk= 316, nxpk= 20, iat= -1, 436, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 438, 439, 440,
&end
#
# 26 ILE HA 26 ILE HB 3.50 (# 317:20 Unique 2.40, 2.52 A)
&rst
ixpk= 317, nxpk= 20, iat= 434, 436, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 117 VAL HB 26 ILE HB 4.50 (# 318:20 Unique 1.97, 2.73 A)
&rst
ixpk= 318, nxpk= 20, iat=1823, 436, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 117 VAL MGY 26 ILE HB 3.50 (# 319:20 Unique 1.97, 4.06 A)
&rst
ixpk= 319, nxpk= 20, iat= -1, 436, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1825,1826,1827,1829,1830,1831,
&end
#
# 0 AMB 20-2:320 26 ILE HB 2.80 (# 320:20 Single Ambig)
&rst
ixpk= 320, nxpk= 20, iat= -1, 436, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 445, 446, 447, 442, 443,
&end
#
# 9 LYS HD+ 9 LYS HE+ 2.80 (# 321:20 Unique 2.22, 2.69 A)
&rst
ixpk= 321, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 141, 142,
igr2= 144, 145,
&end
#
# 9 LYS HG+ 9 LYS HE+ 3.50 (# 322:20 Unique 2.07, 3.06 A)
&rst
ixpk= 322, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 138, 139,
igr2= 144, 145,
&end
#
# 0 AMB 20-2:323 0 AMB 20-1:323 3.50 (# 323:20 Double Ambig)
&rst
ixpk= 323, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 211, 212, 213, 124, 125,
igr2=1126,1127, 178, 179,
&end
#
# 54 LEU MDY 54 LEU HB+ 3.50 (# 324:20 Unique 2.00, 3.31 A)
&rst
ixpk= 324, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 811, 812, 813, 815, 816, 817,
igr2= 806, 807,
&end
#
# 0 AMB 20-2:328 0 AMB 20-1:328 3.50 (# 328:20 Double Ambig)
&rst
ixpk= 328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1397,1398,1668,1669,
igr2=1403,1404,1674,1675,
&end
#
# 61 LYS HD+ 61 LYS HE- 3.50 (# 329:20 Unique 2.22, 2.64 A)
&rst
ixpk= 329, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 924, 925,
igr2= 927, 928,
&end
#
# 54 LEU HA 54 LEU HB+ 3.50 (# 332:20 Unique 2.30, 2.72 A)
&rst
ixpk= 332, nxpk= 20, iat= 804, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 806, 807,
&end
#
# 54 LEU HA 54 LEU HB- 3.50 (# 333:20 Unique 2.30, 2.72 A)
&rst
ixpk= 333, nxpk= 20, iat= 804, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 806, 807,
&end
#
# 73 LYS HG- 72 ASP HB- 3.50 (# 337:20 Unique 2.52, 5.47 A)
&rst
ixpk= 337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1107,1108,
igr2=1092,1093,
&end
#
# 62 LYS HD- 62 LYS HE+ 3.50 (# 341:20 Unique 2.22, 2.66 A)
&rst
ixpk= 341, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 946, 947,
igr2= 949, 950,
&end
#
# 28 VAL MGY 62 LYS HE+ 3.50 (# 342:20 Unique 2.06, 4.80 A)
&rst
ixpk= 342, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 478, 479, 480, 482, 483, 484,
igr2= 949, 950,
&end
#
# 62 LYS HD- 62 LYS HE- 3.50 (# 344:20 Unique 2.22, 2.66 A)
&rst
ixpk= 344, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 946, 947,
igr2= 949, 950,
&end
#
# 59 ILE HG1+ 59 ILE HB 3.50 (# 345:20 Unique 2.39, 2.74 A)
&rst
ixpk= 345, nxpk= 20, iat= -1, 883, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 889, 890,
&end
#
# 59 ILE QG2 59 ILE HB 2.80 (# 346:20 Unique 2.36, 2.63 A)
&rst
ixpk= 346, nxpk= 20, iat= -1, 883, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 885, 886, 887,
&end
#
# 59 ILE HN 59 ILE HB 4.50 (# 347:20 Unique 2.67, 3.84 A)
&rst
ixpk= 347, nxpk= 20, iat= 879, 883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 ILE HA 59 ILE HB 3.50 (# 348:20 Unique 2.35, 2.42 A)
&rst
ixpk= 348, nxpk= 20, iat= 881, 883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 ILE HG1- 59 ILE HB 2.80 (# 349:20 Unique 2.39, 2.74 A)
&rst
ixpk= 349, nxpk= 20, iat= -1, 883, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 889, 890,
&end
#
# 84 TYR HA 84 TYR HB- 3.50 (# 352:20 Unique 2.33, 2.61 A)
&rst
ixpk= 352, nxpk= 20, iat=1291, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1293,1294,
&end
#
# 83 LYS HD+ 83 LYS HE+ 3.50 (# 353:20 Unique 2.22, 2.70 A)
&rst
ixpk= 353, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1277,1278,
igr2=1280,1281,
&end
#
# 83 LYS HD+ 83 LYS HE- 3.50 (# 354:20 Unique 2.22, 2.70 A)
&rst
ixpk= 354, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1277,1278,
igr2=1280,1281,
&end
#
# 0 AMB 20-2:355 0 AMB 20-1:355 3.50 (# 355:20 Double Ambig)
&rst
ixpk= 355, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 837,1642,
igr2= 839, 840, 839, 840, 839, 840,
&end
#
# 0 AMB 20-2:356 0 AMB 20-1:356 3.50 (# 356:20 Double Ambig)
&rst
ixpk= 356, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 837,1642,
igr2= 839, 840, 839, 840, 839, 840,
&end
#
# 64 LEU MDY 64 LEU HB+ 3.50 (# 359:20 Unique 2.03, 3.28 A)
&rst
ixpk= 359, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 982, 983, 984, 986, 987, 988,
igr2= 977, 978,
&end
#
# 64 LEU HG 64 LEU HB- 3.50 (# 362:20 Unique 2.30, 2.74 A)
&rst
ixpk= 362, nxpk= 20, iat= 980, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 977, 978,
&end
#
# 0 AMB 20-2:363 0 AMB 20-1:363 3.50 (# 363:20 Double Ambig)
&rst
ixpk= 363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 541, 542, 543, 545, 546, 547, 982, 983, 984, 986,
987, 988,1344,1345,1346,1348,1349,1350,
igr2= 996, 997, 977, 978,1339,1340,
&end
#
# 108 LEU HA 108 LEU HB- 3.50 (# 366:20 Unique 2.32, 2.78 A)
&rst
ixpk= 366, nxpk= 20, iat=1685, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1687,1688,
&end
#
# 108 LEU HG 108 LEU HB- 3.50 (# 367:20 Unique 2.30, 2.66 A)
&rst
ixpk= 367, nxpk= 20, iat=1690, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1687,1688,
&end
#
# 108 LEU HN 108 LEU HB+ 3.50 (# 369:20 Unique 2.10, 2.98 A)
&rst
ixpk= 369, nxpk= 20, iat=1683, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1687,1688,
&end
#
# 108 LEU HG 108 LEU HB+ 3.50 (# 371:20 Unique 2.30, 2.66 A)
&rst
ixpk= 371, nxpk= 20, iat=1690, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1687,1688,
&end
#
# 108 LEU MDX 108 LEU HB+ 3.50 (# 372:20 Unique 2.00, 3.33 A)
&rst
ixpk= 372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1692,1693,1694,1696,1697,1698,
igr2=1687,1688,
&end
#
# 108 LEU HA 108 LEU HB+ 3.50 (# 373:20 Unique 2.32, 2.78 A)
&rst
ixpk= 373, nxpk= 20, iat=1685, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1687,1688,
&end
#
# 106 TYR HD 106 TYR HB- 3.50 (# 374:20 Unique 2.30, 3.05 A)
&rst
ixpk= 374, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1648,1657,
igr2=1644,1645,
&end
#
# 106 TYR HA 106 TYR HB+ 3.50 (# 376:20 Unique 2.35, 2.48 A)
&rst
ixpk= 376, nxpk= 20, iat=1642, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1644,1645,
&end
#
# 105 LEU HN 105 LEU HB+ 3.50 (# 378:20 Unique 2.28, 2.94 A)
&rst
ixpk= 378, nxpk= 20, iat=1621, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1625,1626,
&end
#
# 105 LEU MDY 105 LEU HB+ 3.50 (# 379:20 Unique 2.27, 3.45 A)
&rst
ixpk= 379, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1630,1631,1632,1634,1635,1636,
igr2=1625,1626,
&end
#
# 105 LEU HA 105 LEU HB+ 3.50 (# 380:20 Unique 2.46, 2.82 A)
&rst
ixpk= 380, nxpk= 20, iat=1623, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1625,1626,
&end
#
# 105 LEU MDX 105 LEU HB+ 2.80 (# 381:20 Unique 2.27, 3.45 A)
&rst
ixpk= 381, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1630,1631,1632,1634,1635,1636,
igr2=1625,1626,
&end
#
# 106 TYR HA 106 TYR HB- 3.50 (# 385:20 Unique 2.35, 2.48 A)
&rst
ixpk= 385, nxpk= 20, iat=1642, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1644,1645,
&end
#
# 81 ASP HA 81 ASP HB+ 3.50 (# 387:20 Unique 2.46, 2.78 A)
&rst
ixpk= 387, nxpk= 20, iat=1245, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1247,1248,
&end
#
# 82 ASP HA 82 ASP HB+ 2.80 (# 395:20 Unique 2.41, 2.82 A)
&rst
ixpk= 395, nxpk= 20, iat=1257, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1259,1260,
&end
#
# 82 ASP HN 82 ASP HB+ 3.50 (# 396:20 Unique 2.25, 2.83 A)
&rst
ixpk= 396, nxpk= 20, iat=1255, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1259,1260,
&end
#
# 63 GLU HA 63 GLU HG- 3.50 (# 401:20 Unique 2.24, 2.74 A)
&rst
ixpk= 401, nxpk= 20, iat= 960, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 965, 966,
&end
#
# 63 GLU HB+ 63 GLU HG+ 3.50 (# 405:20 Unique 2.26, 2.72 A)
&rst
ixpk= 405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 962, 963,
igr2= 965, 966,
&end
#
# 0 AMB 20-2:408 0 AMB 20-1:408 3.50 (# 408:20 Double Ambig)
&rst
ixpk= 408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1185,1186, 459, 468,
igr2=1180,1181, 455, 456,
&end
#
# 92 ILE QG2 92 ILE HB 3.50 (# 411:20 Unique 2.22, 2.63 A)
&rst
ixpk= 411, nxpk= 20, iat= -1,1416, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1418,1419,1420,
&end
#
# 89 CYS HA 92 ILE HB 3.50 (# 412:20 Unique 2.38, 2.64 A)
&rst
ixpk= 412, nxpk= 20, iat=1370,1416, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 ILE QD1 92 ILE HB 2.80 (# 413:20 Unique 2.11, 2.98 A)
&rst
ixpk= 413, nxpk= 20, iat= -1,1416, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1425,1426,1427,
&end
#
# 5 ILE HA 5 ILE HB 3.50 (# 414:20 Unique 2.52, 2.67 A)
&rst
ixpk= 414, nxpk= 20, iat= 71, 73, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 14 ILE HN 14 ILE HB 3.50 (# 417:20 Unique 2.55, 2.71 A)
&rst
ixpk= 417, nxpk= 20, iat= 205, 209, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 14 ILE HG1- 14 ILE HB 3.50 (# 418:20 Unique 2.40, 2.46 A)
&rst
ixpk= 418, nxpk= 20, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 215, 216,
&end
#
# 0 AMB 20-2:419 14 ILE HB 3.50 (# 419:20 Single Ambig)
&rst
ixpk= 419, nxpk= 20, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 426, 427, 428, 215, 216,
&end
#
# 14 ILE QG2 14 ILE HB 3.50 (# 420:20 Unique 2.24, 2.63 A)
&rst
ixpk= 420, nxpk= 20, iat= -1, 209, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 211, 212, 213,
&end
#
# 66 TYR HN 66 TYR HB- 3.50 (# 421:20 Unique 2.09, 3.04 A)
&rst
ixpk= 421, nxpk= 20, iat=1011, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1015,1016,
&end
#
# 66 TYR HA 66 TYR HB- 3.50 (# 422:20 Unique 2.25, 2.66 A)
&rst
ixpk= 422, nxpk= 20, iat=1013, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1015,1016,
&end
#
# 66 TYR HN 66 TYR HB+ 3.50 (# 424:20 Unique 2.09, 3.04 A)
&rst
ixpk= 424, nxpk= 20, iat=1011, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1015,1016,
&end
#
# 66 TYR HA 66 TYR HB+ 3.50 (# 425:20 Unique 2.25, 2.66 A)
&rst
ixpk= 425, nxpk= 20, iat=1013, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1015,1016,
&end
#
# 63 GLU HA 63 GLU HB- 3.50 (# 431:20 Unique 2.51, 2.79 A)
&rst
ixpk= 431, nxpk= 20, iat= 960, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 962, 963,
&end
#
# 0 AMB 20-2:433 63 GLU HB- 3.50 (# 433:20 Single Ambig)
&rst
ixpk= 433, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
1055,1056,
igr2= 962, 963,
&end
#
# 93 ILE HA 93 ILE HB 3.50 (# 434:20 Unique 3.01, 3.02 A)
&rst
ixpk= 434, nxpk= 20, iat=1433,1435, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 GLN HN 93 ILE HB 3.50 (# 435:20 Unique 2.19, 2.50 A)
&rst
ixpk= 435, nxpk= 20, iat=1450,1435, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:436 0 AMB 20-1:436 2.80 (# 436:20 Double Ambig)
&rst
ixpk= 436, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1=1437,1438,1439,1540,1541,1542,1544,1545,1546,
igr2=1435,1856,1857,
&end
#
# 93 ILE QD1 93 ILE HB 3.50 (# 437:20 Unique 2.17, 3.19 A)
&rst
ixpk= 437, nxpk= 20, iat= -1,1435, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1444,1445,1446,
&end
#
# 93 ILE HN 93 ILE HB 3.50 (# 438:20 Unique 2.52, 2.62 A)
&rst
ixpk= 438, nxpk= 20, iat=1431,1435, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ILE HG1- 93 ILE HB 3.50 (# 439:20 Unique 2.32, 2.73 A)
&rst
ixpk= 439, nxpk= 20, iat= -1,1435, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1441,1442,
&end
#
# 63 GLU HG- 63 GLU HB+ 3.50 (# 440:20 Unique 2.26, 2.72 A)
&rst
ixpk= 440, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 965, 966,
igr2= 962, 963,
&end
#
# 0 AMB 20-2:442 0 AMB 20-1:442 3.50 (# 442:20 Double Ambig)
&rst
ixpk= 442, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
1055,1056,
igr2= 962, 963, 962, 963,
&end
#
# 0 AMB 20-2:444 0 AMB 20-1:444 2.80 (# 444:20 Double Ambig)
&rst
ixpk= 444, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1594,1595,1731,1732,
igr2=1597,1598,1734,1735,
&end
#
# 119 GLU HA 119 GLU HG- 3.50 (# 448:20 Unique 2.04, 3.06 A)
&rst
ixpk= 448, nxpk= 20, iat=1851, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1856,1857,
&end
#
# 98 GLU HB- 98 GLU HG- 3.50 (# 450:20 Unique 2.30, 2.68 A)
&rst
ixpk= 450, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1520,1521,
igr2=1523,1524,
&end
#
# 97 GLU HB+ 97 GLU HG- 2.80 (# 452:20 Unique 2.24, 2.72 A)
&rst
ixpk= 452, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1505,1506,
igr2=1508,1509,
&end
#
# 97 GLU HN 97 GLU HG- 3.50 (# 453:20 Unique 2.05, 2.73 A)
&rst
ixpk= 453, nxpk= 20, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1508,1509,
&end
#
# 0 AMB 20-2:454 0 AMB 20-1:454 3.50 (# 454:20 Double Ambig)
&rst
ixpk= 454, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1540,1541,1542,1544,1545,1546,1437,1438,1439,
igr2=1523,1524,1508,1509,
&end
#
# 97 GLU HN 97 GLU HG+ 3.50 (# 455:20 Unique 2.05, 2.73 A)
&rst
ixpk= 455, nxpk= 20, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1508,1509,
&end
#
# 97 GLU HB+ 97 GLU HG+ 2.80 (# 456:20 Unique 2.24, 2.72 A)
&rst
ixpk= 456, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1505,1506,
igr2=1508,1509,
&end
#
# 97 GLU HA 97 GLU HG+ 3.50 (# 457:20 Unique 2.46, 3.39 A)
&rst
ixpk= 457, nxpk= 20, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1508,1509,
&end
#
# 41 GLU HB- 0 AMB 20-1:458 3.50 (# 458:20 Single Ambig)
&rst
ixpk= 458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 656, 657,
igr2= 659, 660, 659, 660,
&end
#
# 41 GLU HB- 0 AMB 20-1:459 3.50 (# 459:20 Single Ambig)
&rst
ixpk= 459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 656, 657,
igr2= 659, 660, 659, 660,
&end
#
# 7 GLU HB+ 7 GLU HG+ 3.50 (# 464:20 Unique 2.21, 2.67 A)
&rst
ixpk= 464, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 106, 107,
igr2= 109, 110,
&end
#
# 34 VAL HN 33 VAL HB 3.50 (# 465:20 Unique 2.46, 2.88 A)
&rst
ixpk= 465, nxpk= 20, iat= 551, 539, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:466 33 VAL HB 3.50 (# 466:20 Single Ambig)
&rst
ixpk= 466, nxpk= 20, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 426, 427, 428, 215, 216,
&end
#
# 33 VAL MGX 33 VAL HB 3.50 (# 467:20 Unique 2.22, 2.63 A)
&rst
ixpk= 467, nxpk= 20, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 541, 542, 543, 545, 546, 547,
&end
#
# 33 VAL MGY 33 VAL HB 3.50 (# 468:20 Unique 2.22, 2.63 A)
&rst
ixpk= 468, nxpk= 20, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 541, 542, 543, 545, 546, 547,
&end
#
# 0 AMB 20-2:471 57 LYS HB- 3.50 (# 471:20 Single Ambig)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 854, 855, 854, 855,
igr2= 851, 852,
&end
#
# 57 LYS HA 57 LYS HB- 3.50 (# 472:20 Unique 2.34, 2.68 A)
&rst
ixpk= 472, nxpk= 20, iat= 849, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 851, 852,
&end
#
# 57 LYS HA 57 LYS HB+ 3.50 (# 473:20 Unique 2.34, 2.68 A)
&rst
ixpk= 473, nxpk= 20, iat= 849, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 851, 852,
&end
#
# 0 AMB 20-2:475 0 AMB 20-1:475 3.50 (# 475:20 Double Ambig)
&rst
ixpk= 475, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 854, 855, 854, 855,
igr2= 851, 852, 851, 852,
&end
#
# 35 HIS HA 35 HIS HB+ 3.50 (# 479:20 Unique 2.36, 2.45 A)
&rst
ixpk= 479, nxpk= 20, iat= 569, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 571, 572,
&end
#
# 25 ALA MB 35 HIS HB+ 3.50 (# 480:20 Unique 1.98, 3.42 A)
&rst
ixpk= 480, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 426, 427, 428,
igr2= 571, 572,
&end
#
# 102 GLN HN 102 GLN HG+ 3.50 (# 481:20 Unique 2.09, 3.37 A)
&rst
ixpk= 481, nxpk= 20, iat=1573, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1580,1581,
&end
#
# 102 GLN HB+ 102 GLN HG+ 2.80 (# 482:20 Unique 2.21, 2.69 A)
&rst
ixpk= 482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1577,1578,
igr2=1580,1581,
&end
#
# 102 GLN HA 102 GLN HG- 3.50 (# 483:20 Unique 2.18, 3.27 A)
&rst
ixpk= 483, nxpk= 20, iat=1575, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1580,1581,
&end
#
# 102 GLN HN 102 GLN HG- 3.50 (# 484:20 Unique 2.09, 3.37 A)
&rst
ixpk= 484, nxpk= 20, iat=1573, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1580,1581,
&end
#
# 102 GLN HB+ 102 GLN HG- 2.80 (# 485:20 Unique 2.21, 2.69 A)
&rst
ixpk= 485, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1577,1578,
igr2=1580,1581,
&end
#
# 83 LYS HN 83 LYS HB+ 3.50 (# 486:20 Unique 2.38, 3.22 A)
&rst
ixpk= 486, nxpk= 20, iat=1267, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1271,1272,
&end
#
# 105 LEU HN 104 VAL HB 3.50 (# 489:20 Unique 1.84, 1.89 A)
&rst
ixpk= 489, nxpk= 20, iat=1621,1609, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 104 VAL HA 104 VAL HB 3.50 (# 490:20 Unique 2.38, 2.43 A)
&rst
ixpk= 490, nxpk= 20, iat=1607,1609, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 104 VAL MGX 104 VAL HB 3.50 (# 491:20 Unique 2.22, 2.63 A)
&rst
ixpk= 491, nxpk= 20, iat= -1,1609, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1611,1612,1613,1615,1616,1617,
&end
#
# 104 VAL MGY 104 VAL HB 3.50 (# 492:20 Unique 2.22, 2.63 A)
&rst
ixpk= 492, nxpk= 20, iat= -1,1609, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1611,1612,1613,1615,1616,1617,
&end
#
# 34 VAL MGX 34 VAL HB 2.80 (# 493:20 Unique 2.22, 2.63 A)
&rst
ixpk= 493, nxpk= 20, iat= -1, 555, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 557, 558, 559, 561, 562, 563,
&end
#
# 34 VAL MGY 34 VAL HB 2.80 (# 494:20 Unique 2.22, 2.63 A)
&rst
ixpk= 494, nxpk= 20, iat= -1, 555, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 557, 558, 559, 561, 562, 563,
&end
#
# 83 LYS HD+ 83 LYS HB+ 3.50 (# 495:20 Unique 2.01, 3.07 A)
&rst
ixpk= 495, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1277,1278,
igr2=1271,1272,
&end
#
# 83 LYS HG- 83 LYS HB+ 3.50 (# 496:20 Unique 2.21, 2.71 A)
&rst
ixpk= 496, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1274,1275,
igr2=1271,1272,
&end
#
# 83 LYS HG+ 83 LYS HB+ 3.50 (# 497:20 Unique 2.21, 2.71 A)
&rst
ixpk= 497, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1274,1275,
igr2=1271,1272,
&end
#
# 83 LYS HA 83 LYS HB+ 3.50 (# 498:20 Unique 2.31, 2.57 A)
&rst
ixpk= 498, nxpk= 20, iat=1269, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1271,1272,
&end
#
# 107 LYS HN 107 LYS HB+ 3.50 (# 502:20 Unique 2.07, 2.73 A)
&rst
ixpk= 502, nxpk= 20, iat=1661, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1665,1666,
&end
#
# 107 LYS HG+ 107 LYS HB+ 2.80 (# 503:20 Unique 2.22, 2.71 A)
&rst
ixpk= 503, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1668,1669,
igr2=1665,1666,
&end
#
# 107 LYS HA 107 LYS HB+ 3.50 (# 504:20 Unique 2.29, 2.77 A)
&rst
ixpk= 504, nxpk= 20, iat=1663, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1665,1666,
&end
#
# 109 THR MG2 107 LYS HB+ 3.50 (# 505:20 Unique 2.58, 4.87 A)
&rst
ixpk= 505, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1708,1709,1710,
igr2=1665,1666,
&end
#
# 0 AMB 20-2:507 94 GLN HG- 3.50 (# 507:20 Single Ambig)
&rst
ixpk= 507, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1452,1469,
igr2=1457,1458,
&end
#
# 94 GLN HB+ 94 GLN HG- 3.50 (# 509:20 Unique 2.21, 2.66 A)
&rst
ixpk= 509, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1454,1455,
igr2=1457,1458,
&end
#
# 0 AMB 20-2:510 0 AMB 20-1:510 3.50 (# 510:20 Double Ambig)
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1452,1469,
igr2=1457,1458,1457,1458,
&end
#
# 94 GLN HB+ 94 GLN HG+ 3.50 (# 512:20 Unique 2.21, 2.66 A)
&rst
ixpk= 512, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1454,1455,
igr2=1457,1458,
&end
#
# 124 VAL HA 124 VAL HB 3.50 (# 516:20 Unique 2.42, 2.68 A)
&rst
ixpk= 516, nxpk= 20, iat=1937,1939, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 124 VAL MGX 124 VAL HB 2.80 (# 517:20 Unique 2.22, 2.63 A)
&rst
ixpk= 517, nxpk= 20, iat= -1,1939, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1941,1942,1943,1945,1946,1947,
&end
#
# 73 LYS HA 73 LYS HB- 3.50 (# 519:20 Unique 2.32, 2.65 A)
&rst
ixpk= 519, nxpk= 20, iat=1102, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1104,1105,
&end
#
# 0 AMB 20-2:520 0 AMB 20-1:520 3.50 (# 520:20 Double Ambig)
&rst
ixpk= 520, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1110,1111,1107,1108,
igr2=1104,1105,1104,1105,
&end
#
# 73 LYS HN 73 LYS HB+ 3.50 (# 521:20 Unique 2.18, 3.22 A)
&rst
ixpk= 521, nxpk= 20, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1104,1105,
&end
#
# 73 LYS HA 73 LYS HB+ 3.50 (# 522:20 Unique 2.32, 2.65 A)
&rst
ixpk= 522, nxpk= 20, iat=1102, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1104,1105,
&end
#
# 42 VAL HA 42 VAL HB 3.50 (# 523:20 Unique 2.46, 2.63 A)
&rst
ixpk= 523, nxpk= 20, iat= 669, 671, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:524 0 AMB 20-1:524 2.80 (# 524:20 Double Ambig)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 673, 674, 675, 677, 678, 679, 754, 755, 756, 758,
759, 760,
igr2= 671, 768, 769,
&end
#
# 50 VAL MGY 50 VAL HB 2.80 (# 525:20 Unique 2.22, 2.63 A)
&rst
ixpk= 525, nxpk= 20, iat= -1, 752, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 754, 755, 756, 758, 759, 760,
&end
#
# 50 VAL HA 50 VAL HB 4.50 (# 526:20 Unique 2.38, 2.62 A)
&rst
ixpk= 526, nxpk= 20, iat= 750, 752, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 91 LYS HN 91 LYS HB+ 3.50 (# 527:20 Unique 2.17, 2.90 A)
&rst
ixpk= 527, nxpk= 20, iat=1390, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1394,1395,
&end
#
# 68 VAL HN 68 VAL HB 3.50 (# 528:20 Unique 2.47, 2.56 A)
&rst
ixpk= 528, nxpk= 20, iat=1044,1048, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:529 68 VAL HB 2.80 (# 529:20 Single Ambig)
&rst
ixpk= 529, nxpk= 20, iat= -1,1048, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
1055,1056,
&end
#
# 28 VAL HA 28 VAL HB 3.50 (# 530:20 Unique 2.23, 2.33 A)
&rst
ixpk= 530, nxpk= 20, iat= 474, 476, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 VAL MGY 28 VAL HB 3.50 (# 531:20 Unique 2.22, 2.63 A)
&rst
ixpk= 531, nxpk= 20, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 478, 479, 480, 482, 483, 484,
&end
#
# 93 ILE QG2 28 VAL HB 3.50 (# 532:20 Unique 1.99, 2.86 A)
&rst
ixpk= 532, nxpk= 20, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1437,1438,1439,
&end
#
# 0 AMB 20-2:533 28 VAL HB 2.80 (# 533:20 Single Ambig)
&rst
ixpk= 533, nxpk= 20, iat= -1, 476, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1444,1445,1446, 478, 479, 480, 482, 483, 484,
&end
#
# 0 AMB 20-2:534 0 AMB 20-1:534 3.50 (# 534:20 Double Ambig)
&rst
ixpk= 534, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 106, 107, 59, 60,
igr2= 95, 96, 95, 96,
&end
#
# 51 MET HG- 51 MET HB- 2.80 (# 536:20 Unique 2.21, 2.69 A)
&rst
ixpk= 536, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 771, 772,
igr2= 768, 769,
&end
#
# 91 LYS HA 91 LYS HB+ 3.50 (# 537:20 Unique 2.51, 2.81 A)
&rst
ixpk= 537, nxpk= 20, iat=1392, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1394,1395,
&end
#
# 0 AMB 20-2:538 0 AMB 20-1:538 2.80 (# 538:20 Double Ambig)
&rst
ixpk= 538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1339,1340,1397,1398,1342,
igr2=1394,1395,1394,1395,1394,1395,
&end
#
# 6 PRO HA 6 PRO HB+ 3.50 (# 543:20 Unique 2.30, 2.51 A)
&rst
ixpk= 543, nxpk= 20, iat= 98, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 95, 96,
&end
#
# 39 PRO HA 39 PRO HB- 3.50 (# 545:20 Unique 2.30, 2.51 A)
&rst
ixpk= 545, nxpk= 20, iat= 637, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 634, 635,
&end
#
# 0 AMB 20-2:548 76 VAL HB 2.80 (# 548:20 Single Ambig)
&rst
ixpk= 548, nxpk= 20, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
&end
#
# 76 VAL HN 76 VAL HB 3.50 (# 549:20 Unique 2.57, 2.94 A)
&rst
ixpk= 549, nxpk= 20, iat=1160,1164, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 LYS HG+ 9 LYS HB+ 2.80 (# 552:20 Unique 2.21, 2.72 A)
&rst
ixpk= 552, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 138, 139,
igr2= 135, 136,
&end
#
# 0 AMB 20-2:554 0 AMB 20-1:554 3.50 (# 554:20 Double Ambig)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 106, 107, 59, 60,1164,
igr2= 95, 96, 135, 136,
&end
#
# 100 VAL HN 100 VAL HB 3.50 (# 558:20 Unique 2.22, 2.42 A)
&rst
ixpk= 558, nxpk= 20, iat=1550,1554, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 100 VAL MGX 100 VAL HB 2.80 (# 559:20 Unique 2.23, 2.63 A)
&rst
ixpk= 559, nxpk= 20, iat= -1,1554, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1556,1557,1558,1560,1561,1562,
&end
#
# 0 AMB 20-2:560 100 VAL HB 2.80 (# 560:20 Single Ambig)
&rst
ixpk= 560, nxpk= 20, iat= -1,1554, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 557, 558, 559, 561, 562, 563,1556,1557,1558,1560,
1561,1562,
&end
#
# 75 GLN HA 75 GLN HB+ 3.50 (# 561:20 Unique 2.31, 2.45 A)
&rst
ixpk= 561, nxpk= 20, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1147,1148,
&end
#
# 0 AMB 20-2:562 0 AMB 20-1:562 3.50 (# 562:20 Double Ambig)
&rst
ixpk= 562, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1145, 474,
igr2=1147,1148, 160, 161,
&end
#
# 0 AMB 20-2:563 0 AMB 20-1:563 3.50 (# 563:20 Double Ambig)
&rst
ixpk= 563, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 163, 312,
igr2= 160, 161, 309, 310,
&end
#
# 103 GLU HN 103 GLU HB+ 3.50 (# 565:20 Unique 2.68, 3.30 A)
&rst
ixpk= 565, nxpk= 20, iat=1590, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1594,1595,
&end
#
# 103 GLU HA 103 GLU HB+ 3.50 (# 566:20 Unique 2.33, 2.71 A)
&rst
ixpk= 566, nxpk= 20, iat=1592, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1594,1595,
&end
#
# 19 PRO HG+ 19 PRO HB+ 3.50 (# 569:20 Unique 2.32, 2.58 A)
&rst
ixpk= 569, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 306, 307,
igr2= 309, 310,
&end
#
# 60 VAL MGX 60 VAL HB 3.50 (# 572:20 Unique 2.22, 2.63 A)
&rst
ixpk= 572, nxpk= 20, iat= -1, 902, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 904, 905, 906, 908, 909, 910,
&end
#
# 0 AMB 20-2:573 0 AMB 20-1:573 2.80 (# 573:20 Double Ambig)
&rst
ixpk= 573, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1692,1693,1694,1696,1697,1698, 904, 905, 906, 908,
909, 910,
igr2= 620, 621, 902,
&end
#
# 0 AMB 20-2:574 0 AMB 20-1:574 3.50 (# 574:20 Double Ambig)
&rst
ixpk= 574, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 628, 629, 614, 615,
igr2= 620, 621, 620, 621,
&end
#
# 100 VAL HA 60 VAL HB 3.50 (# 575:20 Unique 1.99, 2.24 A)
&rst
ixpk= 575, nxpk= 20, iat=1552, 902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:576 0 AMB 20-1:576 3.50 (# 576:20 Double Ambig)
&rst
ixpk= 576, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 631, 632,1535,1536, 656, 657,
igr2= 620, 621, 902, 620, 621,
&end
#
# 38 PRO HA 38 PRO HB+ 3.50 (# 578:20 Unique 2.30, 2.51 A)
&rst
ixpk= 578, nxpk= 20, iat= 623, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 620, 621,
&end
#
# 0 AMB 20-2:579 38 PRO HB- 3.50 (# 579:20 Single Ambig)
&rst
ixpk= 579, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 628, 629, 614, 615,
igr2= 620, 621,
&end
#
# 117 VAL MGX 117 VAL HB 3.50 (# 581:20 Unique 2.22, 2.63 A)
&rst
ixpk= 581, nxpk= 20, iat= -1,1823, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1825,1826,1827,1829,1830,1831,
&end
#
# 117 VAL MGY 117 VAL HB 3.50 (# 582:20 Unique 2.22, 2.63 A)
&rst
ixpk= 582, nxpk= 20, iat= -1,1823, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1825,1826,1827,1829,1830,1831,
&end
#
# 0 AMB 20-2:583 0 AMB 20-1:583 3.50 (# 583:20 Double Ambig)
&rst
ixpk= 583, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1274,1275, 195, 196, 197, 199, 200, 201,
igr2=1230,1231,1823,
&end
#
# 117 VAL HA 117 VAL HB 3.50 (# 584:20 Unique 2.41, 2.47 A)
&rst
ixpk= 584, nxpk= 20, iat=1821,1823, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 41 GLU HA 41 GLU HB- 3.50 (# 588:20 Unique 2.39, 2.74 A)
&rst
ixpk= 588, nxpk= 20, iat= 654, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 656, 657,
&end
#
# 0 AMB 20-2:590 0 AMB 20-1:590 2.80 (# 590:20 Double Ambig)
&rst
ixpk= 590, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 659, 660, 659, 660,
igr2= 656, 657, 656, 657,
&end
#
# 41 GLU HA 41 GLU HB+ 3.50 (# 591:20 Unique 2.39, 2.74 A)
&rst
ixpk= 591, nxpk= 20, iat= 654, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 656, 657,
&end
#
# 115 HIS HN 115 HIS HB+ 3.50 (# 592:20 Unique 2.07, 2.59 A)
&rst
ixpk= 592, nxpk= 20, iat=1782, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1786,1787,
&end
#
# 112 ASN HA 115 HIS HB+ 3.50 (# 593:20 Unique 2.29, 2.87 A)
&rst
ixpk= 593, nxpk= 20, iat=1744, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1786,1787,
&end
#
# 115 HIS HA 115 HIS HB+ 3.50 (# 594:20 Unique 2.37, 2.80 A)
&rst
ixpk= 594, nxpk= 20, iat=1784, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1786,1787,
&end
#
# 98 GLU HN 98 GLU HB- 3.50 (# 596:20 Unique 2.15, 2.75 A)
&rst
ixpk= 596, nxpk= 20, iat=1516, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1520,1521,
&end
#
# 98 GLU HA 98 GLU HB- 3.50 (# 597:20 Unique 2.26, 2.76 A)
&rst
ixpk= 597, nxpk= 20, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1520,1521,
&end
#
# 98 GLU HG+ 98 GLU HB- 2.80 (# 598:20 Unique 2.30, 2.68 A)
&rst
ixpk= 598, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1523,1524,
igr2=1520,1521,
&end
#
# 98 GLU HN 98 GLU HB+ 3.50 (# 599:20 Unique 2.15, 2.75 A)
&rst
ixpk= 599, nxpk= 20, iat=1516, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1520,1521,
&end
#
# 98 GLU HA 98 GLU HB+ 2.80 (# 600:20 Unique 2.26, 2.76 A)
&rst
ixpk= 600, nxpk= 20, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1520,1521,
&end
#
# 0 AMB 20-2:601 62 LYS HD- 3.50 (# 601:20 Single Ambig)
&rst
ixpk= 601, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 940, 941, 949, 950,
igr2= 946, 947,
&end
#
# 0 AMB 20-2:602 0 AMB 20-1:602 3.50 (# 602:20 Double Ambig)
&rst
ixpk= 602, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 940, 941, 949, 950,
igr2= 946, 947, 946, 947,
&end
#
# 98 GLU HG+ 98 GLU HB+ 2.80 (# 604:20 Unique 2.30, 2.68 A)
&rst
ixpk= 604, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1523,1524,
igr2=1520,1521,
&end
#
# 0 AMB 20-2:605 0 AMB 20-1:605 2.80 (# 605:20 Double Ambig)
&rst
ixpk= 605, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 927, 928, 860, 861,1217,1218,
igr2= 924, 925, 857, 858,1214,1215,
&end
#
# 0 AMB 20-2:606 0 AMB 20-1:606 2.80 (# 606:20 Double Ambig)
&rst
ixpk= 606, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 854, 855, 854, 855, 889, 890,
igr2= 857, 858, 857, 858, 924, 925,
&end
#
# 102 GLN HN 102 GLN HB+ 2.80 (# 607:20 Unique 2.25, 3.13 A)
&rst
ixpk= 607, nxpk= 20, iat=1573, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1577,1578,
&end
#
# 102 GLN HG- 102 GLN HB+ 2.80 (# 608:20 Unique 2.21, 2.69 A)
&rst
ixpk= 608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1580,1581,
igr2=1577,1578,
&end
#
# 111 GLU HA 111 GLU HB- 3.50 (# 609:20 Unique 2.39, 2.79 A)
&rst
ixpk= 609, nxpk= 20, iat=1729, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1731,1732,
&end
#
# 97 GLU HA 0 AMB 20-1:610 3.50 (# 610:20 Single Ambig)
&rst
ixpk= 610, nxpk= 20, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1505,1506,1505,1506,
&end
#
# 0 AMB 20-2:611 0 AMB 20-1:611 2.80 (# 611:20 Double Ambig)
&rst
ixpk= 611, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1734,1735,1734,1735,
igr2=1731,1732,1731,1732,
&end
#
# 107 LYS HE+ 107 LYS HD+ 3.50 (# 613:20 Unique 2.22, 2.68 A)
&rst
ixpk= 613, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1674,1675,
igr2=1671,1672,
&end
#
# 102 GLN HA 102 GLN HB+ 3.50 (# 615:20 Unique 2.27, 2.63 A)
&rst
ixpk= 615, nxpk= 20, iat=1575, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1577,1578,
&end
#
# 0 AMB 20-2:616 0 AMB 20-1:616 2.80 (# 616:20 Double Ambig)
&rst
ixpk= 616, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1734,1735,1508,1509,
igr2=1731,1732,1505,1506,1505,1506,
&end
#
# 97 GLU HN 0 AMB 20-1:618 3.50 (# 618:20 Single Ambig)
&rst
ixpk= 618, nxpk= 20, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1505,1506,1505,1506,
&end
#
# 111 GLU HA 111 GLU HB+ 3.50 (# 619:20 Unique 2.39, 2.79 A)
&rst
ixpk= 619, nxpk= 20, iat=1729, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1731,1732,
&end
#
# 119 GLU HN 119 GLU HB+ 3.50 (# 621:20 Unique 2.09, 3.00 A)
&rst
ixpk= 621, nxpk= 20, iat=1849, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1853,1854,
&end
#
# 119 GLU HA 119 GLU HB+ 3.50 (# 622:20 Unique 2.24, 2.72 A)
&rst
ixpk= 622, nxpk= 20, iat=1851, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1853,1854,
&end
#
# 119 GLU HN 119 GLU HB+ 3.50 (# 623:20 Unique 2.09, 3.00 A)
&rst
ixpk= 623, nxpk= 20, iat=1849, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1853,1854,
&end
#
# 119 GLU HA 119 GLU HB+ 3.50 (# 624:20 Unique 2.24, 2.72 A)
&rst
ixpk= 624, nxpk= 20, iat=1851, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1853,1854,
&end
#
# 73 LYS HG+ 73 LYS HD- 3.50 (# 627:20 Unique 2.22, 2.67 A)
&rst
ixpk= 627, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1107,1108,
igr2=1110,1111,
&end
#
# 26 ILE QG2 26 ILE HG1- 3.50 (# 629:20 Unique 1.95, 3.28 A)
&rst
ixpk= 629, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 438, 439, 440,
igr2= 442, 443,
&end
#
# 9 LYS HE+ 9 LYS HD+ 3.50 (# 634:20 Unique 2.22, 2.69 A)
&rst
ixpk= 634, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 144, 145,
igr2= 141, 142,
&end
#
# 91 LYS HE+ 91 LYS HD+ 3.50 (# 636:20 Unique 2.22, 2.69 A)
&rst
ixpk= 636, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1403,1404,
igr2=1400,1401,
&end
#
# 83 LYS HE+ 83 LYS HD+ 2.80 (# 637:20 Unique 2.22, 2.70 A)
&rst
ixpk= 637, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1280,1281,
igr2=1277,1278,
&end
#
# 73 LYS HG+ 73 LYS HD+ 2.80 (# 638:20 Unique 2.22, 2.67 A)
&rst
ixpk= 638, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1107,1108,
igr2=1110,1111,
&end
#
# 83 LYS HG- 83 LYS HD+ 3.50 (# 639:20 Unique 2.22, 2.65 A)
&rst
ixpk= 639, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1274,1275,
igr2=1277,1278,
&end
#
# 83 LYS HG+ 83 LYS HD+ 3.50 (# 640:20 Unique 2.22, 2.65 A)
&rst
ixpk= 640, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1274,1275,
igr2=1277,1278,
&end
#
# 0 AMB 20-2:642 94 GLN HB- 3.50 (# 642:20 Single Ambig)
&rst
ixpk= 642, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1462,1463,1450,
igr2=1454,1455,
&end
#
# 94 GLN HA 94 GLN HB- 3.50 (# 643:20 Unique 2.27, 2.67 A)
&rst
ixpk= 643, nxpk= 20, iat=1452, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1454,1455,
&end
#
# 9 LYS HB+ 10 PRO HG+ 4.50 (# 644:20 Unique 3.66, 5.09 A)
&rst
ixpk= 644, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 135, 136,
igr2= 157, 158,
&end
#
# 86 PRO HD- 86 PRO HG+ 3.50 (# 645:20 Unique 2.30, 2.58 A)
&rst
ixpk= 645, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1322,1323,
igr2=1325,1326,
&end
#
# 0 AMB 20-2:647 0 AMB 20-1:647 3.50 (# 647:20 Double Ambig)
&rst
ixpk= 647, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1462,1463,1450,
igr2=1454,1455,1454,1455,
&end
#
# 94 GLN HA 94 GLN HB+ 2.80 (# 648:20 Unique 2.27, 2.67 A)
&rst
ixpk= 648, nxpk= 20, iat=1452, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1454,1455,
&end
#
# 93 ILE HB 93 ILE HG1+ 3.50 (# 649:20 Unique 2.32, 2.73 A)
&rst
ixpk= 649, nxpk= 20, iat=1435, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1441,1442,
&end
#
# 93 ILE QG2 93 ILE HG1+ 3.50 (# 650:20 Unique 2.08, 3.42 A)
&rst
ixpk= 650, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1437,1438,1439,
igr2=1441,1442,
&end
#
# 14 ILE QG2 16 ILE HG1+ 2.80 (# 651:20 Unique 2.86, 4.58 A)
&rst
ixpk= 651, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 211, 212, 213,
igr2= 249, 250,
&end
#
# 0 AMB 20-2:653 0 AMB 20-1:653 2.80 (# 653:20 Double Ambig)
&rst
ixpk= 653, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 154, 155,1322,1323,
igr2= 157, 158,1325,1326,
&end
#
# 93 ILE HB 93 ILE HG1- 3.50 (# 654:20 Unique 2.32, 2.73 A)
&rst
ixpk= 654, nxpk= 20, iat=1435, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1441,1442,
&end
#
# 0 AMB 20-2:657 0 AMB 20-1:657 3.50 (# 657:20 Double Ambig)
&rst
ixpk= 657, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 883, 924, 925,
igr2= 889, 890, 889, 890,
&end
#
# 0 AMB 20-2:659 0 AMB 20-1:659 3.50 (# 659:20 Double Ambig)
&rst
ixpk= 659, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 89, 90, 614, 615,
igr2= 92, 93, 617, 618,
&end
#
# 38 PRO HD- 38 PRO HG+ 3.50 (# 660:20 Unique 2.30, 2.58 A)
&rst
ixpk= 660, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 614, 615,
igr2= 617, 618,
&end
#
# 38 PRO HB+ 38 PRO HG+ 3.50 (# 661:20 Unique 2.32, 2.58 A)
&rst
ixpk= 661, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 620, 621,
igr2= 617, 618,
&end
#
# 0 AMB 20-2:662 0 AMB 20-1:662 3.50 (# 662:20 Double Ambig)
&rst
ixpk= 662, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 303, 304, 56, 57,
igr2= 306, 307, 59, 60,
&end
#
# 4 PRO HD+ 4 PRO HG+ 3.50 (# 663:20 Unique 2.30, 2.58 A)
&rst
ixpk= 663, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 56, 57,
igr2= 59, 60,
&end
#
# 6 PRO HB+ 4 PRO HG+ 3.50 (# 664:20 Unique 3.68, 5.16 A)
&rst
ixpk= 664, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 95, 96,
igr2= 59, 60,
&end
#
# 0 AMB 20-2:665 0 AMB 20-1:665 3.50 (# 665:20 Double Ambig)
&rst
ixpk= 665, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 95, 96, 25, 26,
igr2= 59, 60, 59, 60,
&end
#
# 39 PRO HD+ 39 PRO HG- 3.50 (# 666:20 Unique 2.30, 2.58 A)
&rst
ixpk= 666, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 628, 629,
igr2= 631, 632,
&end
#
# 39 PRO HD- 39 PRO HG- 3.50 (# 667:20 Unique 2.30, 2.58 A)
&rst
ixpk= 667, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 628, 629,
igr2= 631, 632,
&end
#
# 0 AMB 20-2:669 59 ILE HG1- 3.50 (# 669:20 Single Ambig)
&rst
ixpk= 669, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 883, 924, 925,
igr2= 889, 890,
&end
#
# 59 ILE QD1 59 ILE HG1- 2.80 (# 671:20 Unique 2.23, 2.62 A)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 892, 893, 894,
igr2= 889, 890,
&end
#
# 59 ILE QD1 59 ILE HG1+ 2.80 (# 672:20 Unique 2.23, 2.62 A)
&rst
ixpk= 672, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 892, 893, 894,
igr2= 889, 890,
&end
#
# 0 AMB 20-2:673 0 AMB 20-1:673 3.50 (# 673:20 Double Ambig)
&rst
ixpk= 673, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
igr1= 89, 90, 628, 629, 89, 90, 614, 615,
igr2= 59, 60, 631, 632, 92, 93, 617, 618,
&end
#
# 108 LEU MDX 108 LEU HG 2.80 (# 674:20 Unique 2.21, 2.63 A)
&rst
ixpk= 674, nxpk= 20, iat= -1,1690, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1692,1693,1694,1696,1697,1698,
&end
#
# 64 LEU MDY 64 LEU HG 2.80 (# 675:20 Unique 2.21, 2.63 A)
&rst
ixpk= 675, nxpk= 20, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 982, 983, 984, 986, 987, 988,
&end
#
# 99 LEU MDY 99 LEU HG 2.80 (# 678:20 Unique 2.21, 2.63 A)
&rst
ixpk= 678, nxpk= 20, iat= -1,1538, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1540,1541,1542,1544,1545,1546,
&end
#
# 105 LEU MDX 105 LEU HG 3.50 (# 679:20 Unique 2.21, 2.63 A)
&rst
ixpk= 679, nxpk= 20, iat= -1,1628, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1630,1631,1632,1634,1635,1636,
&end
#
# 0 AMB 20-2:680 105 LEU HG 4.50 (# 680:20 Single Ambig)
&rst
ixpk= 680, nxpk= 20, iat= -1,1628, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1623,1607,
&end
#
# 105 LEU MDY 105 LEU HG 3.50 (# 681:20 Unique 2.21, 2.63 A)
&rst
ixpk= 681, nxpk= 20, iat= -1,1628, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1630,1631,1632,1634,1635,1636,
&end
#
# 108 LEU HB- 108 LEU HG 2.80 (# 682:20 Unique 2.30, 2.66 A)
&rst
ixpk= 682, nxpk= 20, iat= -1,1690, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1687,1688,
&end
#
# 64 LEU MDX 64 LEU HG 3.50 (# 683:20 Unique 2.21, 2.63 A)
&rst
ixpk= 683, nxpk= 20, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 982, 983, 984, 986, 987, 988,
&end
#
# 8 PRO HB- 8 PRO HG+ 3.50 (# 685:20 Unique 2.32, 2.58 A)
&rst
ixpk= 685, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 124, 125,
igr2= 121, 122,
&end
#
# 0 AMB 20-2:686 0 AMB 20-1:686 3.50 (# 686:20 Double Ambig)
&rst
ixpk= 686, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 124, 125, 211, 212, 213,
igr2= 121, 122, 999,
&end
#
# 116 PHE HE 99 LEU MDY 3.50 (# 687:20 Unique 1.98, 6.39 A)
&rst
ixpk= 687, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1809,1813,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 99 LEU HB- 99 LEU MDY 3.50 (# 688:20 Unique 2.02, 3.28 A)
&rst
ixpk= 688, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1535,1536,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 120 LEU MDX 99 LEU MDY 3.50 (# 689:20 Unique 1.99, 5.40 A)
&rst
ixpk= 689, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1873,1874,1875,1877,1878,1879,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 0 AMB 20-2:690 99 LEU MDY 3.50 (# 690:20 Single Ambig)
&rst
ixpk= 690, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1471,1472,1538,1856,1857,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 89 CYS HA 89 CYS HB+ 3.50 (# 692:20 Unique 2.31, 2.59 A)
&rst
ixpk= 692, nxpk= 20, iat=1370, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1372,1373,
&end
#
# 65 LEU HB- 65 LEU HG 3.50 (# 693:20 Unique 2.39, 2.75 A)
&rst
ixpk= 693, nxpk= 20, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 996, 997,
&end
#
# 68 VAL HB 65 LEU HG 3.50 (# 694:20 Unique 3.41, 3.60 A)
&rst
ixpk= 694, nxpk= 20, iat=1048, 999, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 LEU MDX 65 LEU HG 3.50 (# 695:20 Unique 2.21, 2.63 A)
&rst
ixpk= 695, nxpk= 20, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1001,1002,1003,1005,1006,1007,
&end
#
# 65 LEU MDY 65 LEU HG 3.50 (# 696:20 Unique 2.21, 2.63 A)
&rst
ixpk= 696, nxpk= 20, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1001,1002,1003,1005,1006,1007,
&end
#
# 0 AMB 20-2:697 14 ILE HG1- 3.50 (# 697:20 Single Ambig)
&rst
ixpk= 697, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 218, 219, 220, 211, 212, 213,
igr2= 215, 216,
&end
#
# 120 LEU MDY 120 LEU HG 3.50 (# 699:20 Unique 2.21, 2.63 A)
&rst
ixpk= 699, nxpk= 20, iat= -1,1871, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 0 AMB 20-2:701 0 AMB 20-1:701 3.50 (# 701:20 Double Ambig)
&rst
ixpk= 701, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 218, 219, 220, 211, 212, 213,
igr2= 215, 216, 215, 216,
&end
#
# 0 AMB 20-2:702 120 LEU MDY 3.50 (# 702:20 Single Ambig)
&rst
ixpk= 702, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1821,1493,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 120 LEU HB- 120 LEU MDY 3.50 (# 703:20 Unique 2.26, 3.28 A)
&rst
ixpk= 703, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1868,1869,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 0 AMB 20-2:704 120 LEU MDY 3.50 (# 704:20 Single Ambig)
&rst
ixpk= 704, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1825,1826,1827,1829,1830,1831,1495,1496,1497,1871,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 0 AMB 20-2:705 120 LEU MDY 2.80 (# 705:20 Single Ambig)
&rst
ixpk= 705, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1540,1541,1542,1544,1545,1546,1868,1869,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 0 AMB 20-2:706 120 LEU MDY 3.50 (# 706:20 Single Ambig)
&rst
ixpk= 706, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 445, 446, 447, 442, 443,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 120 LEU MDX 120 LEU HG 3.50 (# 708:20 Unique 2.21, 2.63 A)
&rst
ixpk= 708, nxpk= 20, iat= -1,1871, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 0 AMB 20-2:709 13 LEU HG 3.50 (# 709:20 Single Ambig)
&rst
ixpk= 709, nxpk= 20, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1893,1894, 190, 191,
&end
#
# 13 LEU MDY 13 LEU HG 3.50 (# 710:20 Unique 2.22, 2.63 A)
&rst
ixpk= 710, nxpk= 20, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 195, 196, 197, 199, 200, 201,
&end
#
# 13 LEU MDX 13 LEU HG 3.50 (# 711:20 Unique 2.22, 2.63 A)
&rst
ixpk= 711, nxpk= 20, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 195, 196, 197, 199, 200, 201,
&end
#
# 0 AMB 20-2:712 0 AMB 20-1:712 3.50 (# 712:20 Double Ambig)
&rst
ixpk= 712, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 924, 925,1887,1888,
igr2= 921, 922, 193,
&end
#
# 0 AMB 20-2:713 0 AMB 20-1:713 3.50 (# 713:20 Double Ambig)
&rst
ixpk= 713, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.47, r4= 7.22,
igr1= 946, 947, 796, 797, 798,
igr2= 943, 944, 811, 812, 813, 815, 816, 817,
&end
#
# 64 LEU HB+ 64 LEU MDY 3.50 (# 714:20 Unique 2.03, 3.28 A)
&rst
ixpk= 714, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 977, 978,
igr2= 982, 983, 984, 986, 987, 988,
&end
#
# 64 LEU HG 64 LEU MDY 3.50 (# 715:20 Unique 2.21, 2.63 A)
&rst
ixpk= 715, nxpk= 20, iat= 980, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 982, 983, 984, 986, 987, 988,
&end
#
# 64 LEU HB- 64 LEU MDY 3.50 (# 716:20 Unique 2.03, 3.28 A)
&rst
ixpk= 716, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 977, 978,
igr2= 982, 983, 984, 986, 987, 988,
&end
#
# 123 GLY HA+ 87 LEU MDY 4.50 (# 718:20 Unique 2.01, 4.73 A)
&rst
ixpk= 718, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1930,1931,
igr2=1344,1345,1346,1348,1349,1350,
&end
#
# 0 AMB 20-2:719 87 LEU MDY 4.50 (# 719:20 Single Ambig)
&rst
ixpk= 719, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1930,1931,1866,
igr2=1344,1345,1346,1348,1349,1350,
&end
#
# 0 AMB 20-2:720 87 LEU MDY 2.80 (# 720:20 Single Ambig)
&rst
ixpk= 720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1397,1398,1342,1339,1340,
igr2=1344,1345,1346,1348,1349,1350,
&end
#
# 87 LEU HB- 87 LEU MDY 3.50 (# 721:20 Unique 2.27, 3.27 A)
&rst
ixpk= 721, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1339,1340,
igr2=1344,1345,1346,1348,1349,1350,
&end
#
# 113 CYS HA 36 LEU HG 4.50 (# 723:20 Unique 2.59, 3.18 A)
&rst
ixpk= 723, nxpk= 20, iat=1758, 591, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 LEU HB- 36 LEU HG 3.50 (# 724:20 Unique 2.24, 2.48 A)
&rst
ixpk= 724, nxpk= 20, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 588, 589,
&end
#
# 104 VAL MGY 36 LEU HG 3.50 (# 725:20 Unique 3.99, 5.18 A)
&rst
ixpk= 725, nxpk= 20, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1611,1612,1613,1615,1616,1617,
&end
#
# 0 AMB 20-2:726 36 LEU HG 3.50 (# 726:20 Single Ambig)
&rst
ixpk= 726, nxpk= 20, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1692,1693,1694,1696,1697,1698, 873, 874, 875,
&end
#
# 36 LEU MDX 36 LEU HG 3.50 (# 727:20 Unique 2.22, 2.63 A)
&rst
ixpk= 727, nxpk= 20, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 593, 594, 595, 597, 598, 599,
&end
#
# 74 TYR HE 65 LEU MDY 3.50 (# 728:20 Unique 2.39, 5.51 A)
&rst
ixpk= 728, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1132,1137,
igr2=1001,1002,1003,1005,1006,1007,
&end
#
# 65 LEU HB- 65 LEU MDY 3.50 (# 729:20 Unique 2.05, 3.27 A)
&rst
ixpk= 729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 996, 997,
igr2=1001,1002,1003,1005,1006,1007,
&end
#
# 0 AMB 20-2:730 65 LEU MDY 3.50 (# 730:20 Single Ambig)
&rst
ixpk= 730, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 215, 216, 996, 997,
igr2=1001,1002,1003,1005,1006,1007,
&end
#
# 65 LEU HG 65 LEU MDY 3.50 (# 731:20 Unique 2.21, 2.63 A)
&rst
ixpk= 731, nxpk= 20, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1001,1002,1003,1005,1006,1007,
&end
#
# 33 VAL MGX 65 LEU MDY 3.50 (# 732:20 Unique 1.96, 4.60 A)
&rst
ixpk= 732, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 541, 542, 543, 545, 546, 547,
igr2=1001,1002,1003,1005,1006,1007,
&end
#
# 91 LYS HB+ 91 LYS HG+ 3.50 (# 737:20 Unique 2.26, 2.59 A)
&rst
ixpk= 737, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1394,1395,
igr2=1397,1398,
&end
#
# 0 AMB 20-2:738 0 AMB 20-1:738 2.80 (# 738:20 Double Ambig)
&rst
ixpk= 738, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1665,1666,1400,1401,
igr2=1668,1669,1397,1398,
&end
#
# 108 LEU MDX 107 LYS HG+ 4.50 (# 739:20 Unique 3.16, 7.08 A)
&rst
ixpk= 739, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1692,1693,1694,1696,1697,1698,
igr2=1668,1669,
&end
#
# 91 LYS HB+ 91 LYS HG- 3.50 (# 740:20 Unique 2.26, 2.59 A)
&rst
ixpk= 740, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1394,1395,
igr2=1397,1398,
&end
#
# 0 AMB 20-2:741 0 AMB 20-1:741 2.80 (# 741:20 Double Ambig)
&rst
ixpk= 741, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1104,1105,1671,1672,
igr2=1107,1108,1668,1669,
&end
#
# 100 VAL HN 100 VAL MGX 3.50 (# 743:20 Unique 2.02, 3.86 A)
&rst
ixpk= 743, nxpk= 20, iat=1550, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 97 GLU HA 100 VAL MGX 3.50 (# 744:20 Unique 2.03, 3.98 A)
&rst
ixpk= 744, nxpk= 20, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 100 VAL HA 100 VAL MGX 3.50 (# 745:20 Unique 2.10, 3.36 A)
&rst
ixpk= 745, nxpk= 20, iat=1552, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 100 VAL HB 100 VAL MGX 2.80 (# 746:20 Unique 2.23, 2.63 A)
&rst
ixpk= 746, nxpk= 20, iat=1554, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 62 LYS HB- 100 VAL MGX 3.50 (# 747:20 Unique 1.98, 3.72 A)
&rst
ixpk= 747, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 940, 941,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 73 LYS HB+ 73 LYS HG+ 3.50 (# 748:20 Unique 2.21, 2.68 A)
&rst
ixpk= 748, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1104,1105,
igr2=1107,1108,
&end
#
# 62 LYS HB+ 100 VAL MGX 3.50 (# 749:20 Unique 1.98, 3.72 A)
&rst
ixpk= 749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 940, 941,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 0 AMB 20-2:751 100 VAL MGX 3.50 (# 751:20 Single Ambig)
&rst
ixpk= 751, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 557, 558, 559, 561, 562, 563, 904, 905, 906, 908,
909, 910,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 0 AMB 20-2:752 0 AMB 20-1:752 2.80 (# 752:20 Double Ambig)
&rst
ixpk= 752, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 809, 851, 852,
igr2= 811, 812, 813, 815, 816, 817,1630,1631,1632,1634,
1635,1636,
&end
#
# 0 AMB 20-2:754 0 AMB 20-1:754 2.80 (# 754:20 Double Ambig)
&rst
ixpk= 754, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 806, 807,1628,1625,1626,
igr2= 811, 812, 813, 815, 816, 817,1630,1631,1632,1634,
1635,1636,
&end
#
# 38 PRO HD+ 108 LEU MDX 3.50 (# 756:20 Unique 2.08, 4.52 A)
&rst
ixpk= 756, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 614, 615,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 38 PRO HG- 108 LEU MDX 4.50 (# 757:20 Unique 3.56, 5.84 A)
&rst
ixpk= 757, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 617, 618,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 108 LEU HB- 108 LEU MDX 3.50 (# 758:20 Unique 2.00, 3.33 A)
&rst
ixpk= 758, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1687,1688,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 36 LEU MDY 108 LEU MDX 4.50 (# 759:20 Unique 1.99, 5.64 A)
&rst
ixpk= 759, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 593, 594, 595, 597, 598, 599,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 36 LEU HG 108 LEU MDX 4.50 (# 760:20 Unique 3.50, 5.68 A)
&rst
ixpk= 760, nxpk= 20, iat= 591, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 0 AMB 20-2:761 108 LEU MDX 4.50 (# 761:20 Single Ambig)
&rst
ixpk= 761, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 871, 586,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 108 LEU HA 108 LEU MDX 3.50 (# 762:20 Unique 1.96, 3.68 A)
&rst
ixpk= 762, nxpk= 20, iat=1685, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 0 AMB 20-2:763 108 LEU MDX 3.50 (# 763:20 Single Ambig)
&rst
ixpk= 763, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1690,1668,1669,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 108 LEU HB+ 108 LEU MDX 3.50 (# 764:20 Unique 2.00, 3.33 A)
&rst
ixpk= 764, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1687,1688,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 9 LYS HD+ 9 LYS HG+ 2.80 (# 769:20 Unique 2.22, 2.68 A)
&rst
ixpk= 769, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 141, 142,
igr2= 138, 139,
&end
#
# 0 AMB 20-2:771 0 AMB 20-1:771 3.50 (# 771:20 Double Ambig)
&rst
ixpk= 771, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 857, 858, 857, 858,
igr2= 854, 855, 854, 855,
&end
#
# 0 AMB 20-2:772 79 LYS HG- 3.50 (# 772:20 Single Ambig)
&rst
ixpk= 772, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1214,1215,1208,1209,
igr2=1211,1212,
&end
#
# 27 TYR HD 33 VAL MGX 3.50 (# 774:20 Unique 2.42, 5.61 A)
&rst
ixpk= 774, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 459, 468,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 27 TYR HA 33 VAL MGX 3.50 (# 775:20 Unique 1.87, 3.83 A)
&rst
ixpk= 775, nxpk= 20, iat= 453, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 65 LEU HA 33 VAL MGX 4.50 (# 776:20 Unique 1.94, 3.40 A)
&rst
ixpk= 776, nxpk= 20, iat= 994, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 33 VAL HB 33 VAL MGX 3.50 (# 777:20 Unique 2.22, 2.63 A)
&rst
ixpk= 777, nxpk= 20, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 0 AMB 20-2:778 33 VAL MGX 3.50 (# 778:20 Single Ambig)
&rst
ixpk= 778, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 218, 219, 220, 211, 212, 213, 478, 479, 480, 482,
483, 484,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 65 LEU MDX 33 VAL MGX 3.50 (# 779:20 Unique 1.96, 4.60 A)
&rst
ixpk= 779, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1001,1002,1003,1005,1006,1007,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 33 VAL HA 33 VAL MGX 3.50 (# 780:20 Unique 2.24, 3.47 A)
&rst
ixpk= 780, nxpk= 20, iat= 537, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 0 AMB 20-2:781 0 AMB 20-1:781 3.50 (# 781:20 Double Ambig)
&rst
ixpk= 781, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1214,1215,1208,1209,
igr2=1211,1212,1211,1212,
&end
#
# 104 VAL MGY 36 LEU MDX 3.50 (# 784:20 Unique 1.99, 4.81 A)
&rst
ixpk= 784, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1611,1612,1613,1615,1616,1617,
igr2= 593, 594, 595, 597, 598, 599,
&end
#
# 36 LEU HA 36 LEU MDX 3.50 (# 785:20 Unique 1.94, 3.15 A)
&rst
ixpk= 785, nxpk= 20, iat= 586, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 593, 594, 595, 597, 598, 599,
&end
#
# 60 VAL HA 36 LEU MDX 4.50 (# 786:20 Unique 2.65, 4.60 A)
&rst
ixpk= 786, nxpk= 20, iat= 900, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 593, 594, 595, 597, 598, 599,
&end
#
# 0 AMB 20-2:788 36 LEU MDX 4.50 (# 788:20 Single Ambig)
&rst
ixpk= 788, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 904, 905, 906, 908, 909, 910, 588, 589,
igr2= 593, 594, 595, 597, 598, 599,
&end
#
# 36 LEU HG 36 LEU MDX 3.50 (# 789:20 Unique 2.22, 2.63 A)
&rst
ixpk= 789, nxpk= 20, iat= 591, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 593, 594, 595, 597, 598, 599,
&end
#
# 26 ILE HN 25 ALA MB 3.50 (# 790:20 Unique 2.08, 3.03 A)
&rst
ixpk= 790, nxpk= 20, iat= 432, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 426, 427, 428,
&end
#
# 25 ALA HA 25 ALA MB 2.80 (# 791:20 Unique 2.29, 2.63 A)
&rst
ixpk= 791, nxpk= 20, iat= 424, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 426, 427, 428,
&end
#
# 35 HIS HB+ 25 ALA MB 3.50 (# 792:20 Unique 1.98, 3.42 A)
&rst
ixpk= 792, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 571, 572,
igr2= 426, 427, 428,
&end
#
# 33 VAL HB 25 ALA MB 3.50 (# 793:20 Unique 2.36, 3.72 A)
&rst
ixpk= 793, nxpk= 20, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 426, 427, 428,
&end
#
# 61 LYS HN 60 VAL MGX 3.50 (# 795:20 Unique 2.15, 4.11 A)
&rst
ixpk= 795, nxpk= 20, iat= 914, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 100 VAL HA 60 VAL MGX 3.50 (# 796:20 Unique 2.00, 3.63 A)
&rst
ixpk= 796, nxpk= 20, iat=1552, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 0 AMB 20-2:797 0 AMB 20-1:797 2.80 (# 797:20 Double Ambig)
&rst
ixpk= 797, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
igr1= 442, 443, 806, 807, 809, 555,
igr2= 195, 196, 197, 199, 200, 201, 811, 812, 813, 815,
816, 817, 557, 558, 559, 561, 562, 563,
&end
#
# 0 AMB 20-2:798 0 AMB 20-1:798 4.50 (# 798:20 Double Ambig)
&rst
ixpk= 798, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 588, 589, 438, 439, 440,
igr2=1692,1693,1694,1696,1697,1698,1825,1826,1827,1829,
1830,1831,
&end
#
# 0 AMB 20-2:799 25 ALA MB 2.80 (# 799:20 Single Ambig)
&rst
ixpk= 799, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
1055,1056,
igr2= 426, 427, 428,
&end
#
# 116 PHE HE 60 VAL MGX 3.50 (# 800:20 Unique 2.00, 4.26 A)
&rst
ixpk= 800, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1809,1813,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 0 AMB 20-2:801 60 VAL MGX 3.50 (# 801:20 Single Ambig)
&rst
ixpk= 801, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1580,1581, 902,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 87 LEU HA 87 LEU MDX 3.50 (# 802:20 Unique 1.96, 3.86 A)
&rst
ixpk= 802, nxpk= 20, iat=1337, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1344,1345,1346,1348,1349,1350,
&end
#
# 0 AMB 20-2:803 0 AMB 20-1:803 3.50 (# 803:20 Double Ambig)
&rst
ixpk= 803, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1866,1322,1323,1885,
igr2=1344,1345,1346,1348,1349,1350, 195, 196, 197, 199,
200, 201,
&end
#
# 13 LEU HA 13 LEU MDY 3.50 (# 804:20 Unique 1.95, 3.42 A)
&rst
ixpk= 804, nxpk= 20, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 195, 196, 197, 199, 200, 201,
&end
#
# 0 AMB 20-2:805 0 AMB 20-1:805 4.50 (# 805:20 Double Ambig)
&rst
ixpk= 805, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1893,1894,1194,1195,1259,1260,
igr2= 195, 196, 197, 199, 200, 201,1274,1275,
&end
#
# 0 AMB 20-2:806 0 AMB 20-1:806 3.50 (# 806:20 Double Ambig)
&rst
ixpk= 806, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1230,1231,1823,
igr2=1274,1275, 195, 196, 197, 199, 200, 201,
&end
#
# 105 LEU HA 105 LEU MDY 3.50 (# 808:20 Unique 2.00, 3.17 A)
&rst
ixpk= 808, nxpk= 20, iat=1623, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1630,1631,1632,1634,1635,1636,
&end
#
# 57 LYS HB- 105 LEU MDY 4.50 (# 809:20 Unique 2.77, 5.65 A)
&rst
ixpk= 809, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 851, 852,
igr2=1630,1631,1632,1634,1635,1636,
&end
#
# 0 AMB 20-2:810 105 LEU MDY 2.80 (# 810:20 Single Ambig)
&rst
ixpk= 810, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1628,1625,1626,
igr2=1630,1631,1632,1634,1635,1636,
&end
#
# 0 AMB 20-2:811 0 AMB 20-1:811 3.50 (# 811:20 Double Ambig)
&rst
ixpk= 811, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 854, 855, 854, 855,1277,1278,
igr2=1630,1631,1632,1634,1635,1636,1274,1275,
&end
#
# 0 AMB 20-2:814 120 LEU MDX 3.50 (# 814:20 Single Ambig)
&rst
ixpk= 814, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1825,1826,1827,1829,1830,1831,1495,1496,1497,1871,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 68 VAL HN 68 VAL MGX 4.50 (# 815:20 Unique 1.95, 3.77 A)
&rst
ixpk= 815, nxpk= 20, iat=1044, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 65 LEU HA 68 VAL MGX 4.50 (# 816:20 Unique 2.31, 3.97 A)
&rst
ixpk= 816, nxpk= 20, iat= 994, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 63 GLU HB+ 68 VAL MGX 3.50 (# 817:20 Unique 2.04, 4.65 A)
&rst
ixpk= 817, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 962, 963,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 117 VAL HN 117 VAL MGY 3.50 (# 818:20 Unique 1.93, 3.09 A)
&rst
ixpk= 818, nxpk= 20, iat=1819, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1825,1826,1827,1829,1830,1831,
&end
#
# 116 PHE HD 117 VAL MGY 3.50 (# 819:20 Unique 2.01, 5.68 A)
&rst
ixpk= 819, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1807,1815,
igr2=1825,1826,1827,1829,1830,1831,
&end
#
# 117 VAL HA 117 VAL MGY 3.50 (# 820:20 Unique 2.35, 3.47 A)
&rst
ixpk= 820, nxpk= 20, iat=1821, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1825,1826,1827,1829,1830,1831,
&end
#
# 86 PRO HD- 87 LEU MDX 4.50 (# 823:20 Unique 3.01, 6.53 A)
&rst
ixpk= 823, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1322,1323,
igr2=1344,1345,1346,1348,1349,1350,
&end
#
# 120 LEU HA 120 LEU MDX 3.50 (# 824:20 Unique 2.23, 4.03 A)
&rst
ixpk= 824, nxpk= 20, iat=1866, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 0 AMB 20-2:825 120 LEU MDX 3.50 (# 825:20 Single Ambig)
&rst
ixpk= 825, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1856,1857,1853,1854,1471,1472,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 0 AMB 20-2:826 120 LEU MDX 3.50 (# 826:20 Single Ambig)
&rst
ixpk= 826, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1474,1475, 442, 443, 555,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 0 AMB 20-2:827 120 LEU MDX 2.80 (# 827:20 Single Ambig)
&rst
ixpk= 827, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1540,1541,1542,1544,1545,1546,1868,1869,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 63 GLU HB- 68 VAL MGX 3.50 (# 830:20 Unique 2.04, 4.65 A)
&rst
ixpk= 830, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 962, 963,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 68 VAL HB 68 VAL MGX 3.50 (# 831:20 Unique 2.22, 2.63 A)
&rst
ixpk= 831, nxpk= 20, iat=1048, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 59 ILE HN 0 AMB 20-1:833 3.50 (# 833:20 Single Ambig)
&rst
ixpk= 833, nxpk= 20, iat= 879, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 873, 874, 875,1692,1693,1694,1696,1697,1698,
&end
#
# 58 ALA HN 58 ALA MB 3.50 (# 834:20 Unique 2.49, 3.32 A)
&rst
ixpk= 834, nxpk= 20, iat= 869, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 873, 874, 875,
&end
#
# 58 ALA HA 0 AMB 20-1:835 2.80 (# 835:20 Single Ambig)
&rst
ixpk= 835, nxpk= 20, iat= 871, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr2= 873, 874, 875,1692,1693,1694,1696,1697,1698,
&end
#
# 36 LEU HB+ 108 LEU MDY 4.50 (# 836:20 Unique 1.97, 4.60 A)
&rst
ixpk= 836, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 588, 589,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 36 LEU MDX 0 AMB 20-1:838 3.50 (# 838:20 Single Ambig)
&rst
ixpk= 838, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1= 593, 594, 595, 597, 598, 599,
igr2= 873, 874, 875,1692,1693,1694,1696,1697,1698,
&end
#
# 83 LYS HA 83 LYS HG- 3.50 (# 839:20 Unique 2.30, 3.43 A)
&rst
ixpk= 839, nxpk= 20, iat=1269, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1274,1275,
&end
#
# 0 AMB 20-2:840 34 VAL MGY 3.50 (# 840:20 Single Ambig)
&rst
ixpk= 840, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1535,1536,1505,1506,1505,1506,
igr2= 557, 558, 559, 561, 562, 563,
&end
#
# 0 AMB 20-2:843 109 THR MG2 2.80 (# 843:20 Single Ambig)
&rst
ixpk= 843, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1704,1706,
igr2=1708,1709,1710,
&end
#
# 107 LYS HB+ 109 THR MG2 3.50 (# 844:20 Unique 2.58, 4.87 A)
&rst
ixpk= 844, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1665,1666,
igr2=1708,1709,1710,
&end
#
# 101 GLY HN 100 VAL MGY 3.50 (# 846:20 Unique 1.92, 3.70 A)
&rst
ixpk= 846, nxpk= 20, iat=1566, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 62 LYS HN 100 VAL MGY 4.50 (# 847:20 Unique 2.55, 4.32 A)
&rst
ixpk= 847, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 61 LYS HA 100 VAL MGY 4.50 (# 848:20 Unique 2.07, 4.26 A)
&rst
ixpk= 848, nxpk= 20, iat= 916, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 100 VAL HA 100 VAL MGY 3.50 (# 849:20 Unique 2.10, 3.36 A)
&rst
ixpk= 849, nxpk= 20, iat=1552, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 100 VAL HB 100 VAL MGY 3.50 (# 850:20 Unique 2.23, 2.63 A)
&rst
ixpk= 850, nxpk= 20, iat=1554, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 62 LYS HB- 100 VAL MGY 4.50 (# 851:20 Unique 1.98, 3.72 A)
&rst
ixpk= 851, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 940, 941,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 62 LYS HB+ 100 VAL MGY 3.50 (# 852:20 Unique 1.98, 3.72 A)
&rst
ixpk= 852, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 940, 941,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 0 AMB 20-2:854 64 LEU MDX 4.50 (# 854:20 Single Ambig)
&rst
ixpk= 854, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 522, 531,1021,1026,
igr2= 982, 983, 984, 986, 987, 988,
&end
#
# 64 LEU HB- 64 LEU MDX 4.50 (# 855:20 Unique 2.03, 3.28 A)
&rst
ixpk= 855, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 977, 978,
igr2= 982, 983, 984, 986, 987, 988,
&end
#
# 64 LEU HB+ 64 LEU MDX 4.50 (# 857:20 Unique 2.03, 3.28 A)
&rst
ixpk= 857, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 977, 978,
igr2= 982, 983, 984, 986, 987, 988,
&end
#
# 0 AMB 20-2:858 76 VAL MGX 3.50 (# 858:20 Single Ambig)
&rst
ixpk= 858, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 218, 219, 220, 124, 125,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 65 LEU HA 65 LEU MDX 3.50 (# 859:20 Unique 2.19, 3.92 A)
&rst
ixpk= 859, nxpk= 20, iat= 994, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1001,1002,1003,1005,1006,1007,
&end
#
# 65 LEU HB- 65 LEU MDX 4.50 (# 860:20 Unique 2.05, 3.27 A)
&rst
ixpk= 860, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 996, 997,
igr2=1001,1002,1003,1005,1006,1007,
&end
#
# 0 AMB 20-2:861 65 LEU MDX 3.50 (# 861:20 Single Ambig)
&rst
ixpk= 861, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 215, 216,1064,1065,1066,
igr2=1001,1002,1003,1005,1006,1007,
&end
#
# 65 LEU HG 65 LEU MDX 3.50 (# 862:20 Unique 2.21, 2.63 A)
&rst
ixpk= 862, nxpk= 20, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1001,1002,1003,1005,1006,1007,
&end
#
# 33 VAL MGX 65 LEU MDX 3.50 (# 863:20 Unique 1.96, 4.60 A)
&rst
ixpk= 863, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 541, 542, 543, 545, 546, 547,
igr2=1001,1002,1003,1005,1006,1007,
&end
#
# 64 LEU HG 64 LEU MDX 3.50 (# 865:20 Unique 2.21, 2.63 A)
&rst
ixpk= 865, nxpk= 20, iat= 980, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 982, 983, 984, 986, 987, 988,
&end
#
# 55 THR HA 55 THR MG2 3.50 (# 867:20 Unique 2.23, 2.99 A)
&rst
ixpk= 867, nxpk= 20, iat= 823, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 827, 828, 829,
&end
#
# 55 THR HB 55 THR MG2 3.50 (# 868:20 Unique 2.23, 2.64 A)
&rst
ixpk= 868, nxpk= 20, iat= 825, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 827, 828, 829,
&end
#
# 76 VAL HN 76 VAL MGX 3.50 (# 872:20 Unique 1.92, 3.66 A)
&rst
ixpk= 872, nxpk= 20, iat=1160, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 76 VAL HA 76 VAL MGX 3.50 (# 873:20 Unique 2.46, 3.51 A)
&rst
ixpk= 873, nxpk= 20, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 8 PRO HA 76 VAL MGX 3.50 (# 874:20 Unique 2.08, 4.61 A)
&rst
ixpk= 874, nxpk= 20, iat= 127, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 76 VAL HB 76 VAL MGX 2.80 (# 875:20 Unique 2.22, 2.63 A)
&rst
ixpk= 875, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 104 VAL MGY 60 VAL MGY 4.50 (# 876:20 Unique 2.43, 6.52 A)
&rst
ixpk= 876, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1611,1612,1613,1615,1616,1617,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 37 ALA HN 37 ALA MB 3.50 (# 877:20 Unique 2.33, 3.10 A)
&rst
ixpk= 877, nxpk= 20, iat= 603, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 607, 608, 609,
&end
#
# 38 PRO HD+ 37 ALA MB 3.50 (# 879:20 Unique 1.99, 3.37 A)
&rst
ixpk= 879, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 614, 615,
igr2= 607, 608, 609,
&end
#
# 38 PRO HD- 37 ALA MB 3.50 (# 880:20 Unique 1.99, 3.37 A)
&rst
ixpk= 880, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 614, 615,
igr2= 607, 608, 609,
&end
#
# 61 LYS HE- 37 ALA MB 4.50 (# 881:20 Unique 3.21, 4.79 A)
&rst
ixpk= 881, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 927, 928,
igr2= 607, 608, 609,
&end
#
# 0 AMB 20-2:882 37 ALA MB 2.80 (# 882:20 Single Ambig)
&rst
ixpk= 882, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 918, 919, 924, 925,
igr2= 607, 608, 609,
&end
#
# 61 LYS HG+ 37 ALA MB 3.50 (# 883:20 Unique 2.01, 4.52 A)
&rst
ixpk= 883, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 921, 922,
igr2= 607, 608, 609,
&end
#
# 0 AMB 20-2:885 37 ALA MB 4.50 (# 885:20 Single Ambig)
&rst
ixpk= 885, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.79, r4= 8.54,
igr1= 885, 886, 887,1692,1693,1694,1696,1697,1698,
igr2= 607, 608, 609,
&end
#
# 28 VAL HA 28 VAL MGX 3.50 (# 886:20 Unique 2.30, 3.56 A)
&rst
ixpk= 886, nxpk= 20, iat= 474, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 28 VAL HB 28 VAL MGX 3.50 (# 887:20 Unique 2.22, 2.63 A)
&rst
ixpk= 887, nxpk= 20, iat= 476, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 34 VAL HB 28 VAL MGX 4.50 (# 888:20 Unique 4.13, 6.24 A)
&rst
ixpk= 888, nxpk= 20, iat= 555, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 96 ALA MB 28 VAL MGX 2.80 (# 889:20 Unique 2.27, 4.88 A)
&rst
ixpk= 889, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1495,1496,1497,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 60 VAL HN 60 VAL MGY 3.50 (# 891:20 Unique 2.34, 4.04 A)
&rst
ixpk= 891, nxpk= 20, iat= 898, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 116 PHE HE 60 VAL MGY 3.50 (# 892:20 Unique 2.00, 4.26 A)
&rst
ixpk= 892, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1809,1813,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 59 ILE HA 60 VAL MGY 4.50 (# 893:20 Unique 3.27, 5.47 A)
&rst
ixpk= 893, nxpk= 20, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 36 LEU MDX 60 VAL MGY 3.50 (# 894:20 Unique 1.91, 5.46 A)
&rst
ixpk= 894, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 593, 594, 595, 597, 598, 599,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 60 VAL HA 60 VAL MGY 3.50 (# 895:20 Unique 2.25, 3.11 A)
&rst
ixpk= 895, nxpk= 20, iat= 900, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 0 AMB 20-2:896 60 VAL MGY 3.50 (# 896:20 Single Ambig)
&rst
ixpk= 896, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1580,1581, 902,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 102 GLN HB+ 60 VAL MGY 4.50 (# 897:20 Unique 2.45, 6.00 A)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1577,1578,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 0 AMB 20-2:898 60 VAL MGY 3.50 (# 898:20 Single Ambig)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1535,1536, 555,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 0 AMB 20-2:899 104 VAL MGX 3.50 (# 899:20 Single Ambig)
&rst
ixpk= 899, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 869,1605,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 104 VAL HA 104 VAL MGX 3.50 (# 900:20 Unique 2.49, 3.50 A)
&rst
ixpk= 900, nxpk= 20, iat=1607, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 104 VAL HB 104 VAL MGX 3.50 (# 901:20 Unique 2.22, 2.63 A)
&rst
ixpk= 901, nxpk= 20, iat=1609, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 36 LEU MDX 104 VAL MGX 4.50 (# 904:20 Unique 1.99, 4.81 A)
&rst
ixpk= 904, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 593, 594, 595, 597, 598, 599,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 35 HIS HN 34 VAL MGX 3.50 (# 906:20 Unique 1.94, 4.18 A)
&rst
ixpk= 906, nxpk= 20, iat= 567, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 557, 558, 559, 561, 562, 563,
&end
#
# 34 VAL HA 34 VAL MGX 4.50 (# 907:20 Unique 2.16, 3.15 A)
&rst
ixpk= 907, nxpk= 20, iat= 553, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 557, 558, 559, 561, 562, 563,
&end
#
# 34 VAL HB 34 VAL MGX 3.50 (# 908:20 Unique 2.22, 2.63 A)
&rst
ixpk= 908, nxpk= 20, iat= 555, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 557, 558, 559, 561, 562, 563,
&end
#
# 96 ALA MB 34 VAL MGX 3.50 (# 909:20 Unique 1.99, 4.24 A)
&rst
ixpk= 909, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1495,1496,1497,
igr2= 557, 558, 559, 561, 562, 563,
&end
#
# 50 VAL HB 50 VAL MGY 2.80 (# 911:20 Unique 2.22, 2.63 A)
&rst
ixpk= 911, nxpk= 20, iat= 752, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 754, 755, 756, 758, 759, 760,
&end
#
# 0 AMB 20-2:912 0 AMB 20-1:912 3.50 (# 912:20 Double Ambig)
&rst
ixpk= 912, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 669, 750,
igr2= 673, 674, 675, 677, 678, 679, 754, 755, 756, 758,
759, 760,
&end
#
# 68 VAL HA 68 VAL MGY 3.50 (# 913:20 Unique 2.27, 3.11 A)
&rst
ixpk= 913, nxpk= 20, iat=1046, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 118 ASN HN 117 VAL MGX 4.50 (# 914:20 Unique 1.90, 3.84 A)
&rst
ixpk= 914, nxpk= 20, iat=1835, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1825,1826,1827,1829,1830,1831,
&end
#
# 117 VAL HN 117 VAL MGX 3.50 (# 915:20 Unique 1.93, 3.09 A)
&rst
ixpk= 915, nxpk= 20, iat=1819, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1825,1826,1827,1829,1830,1831,
&end
#
# 24 TRP HB- 117 VAL MGX 3.50 (# 916:20 Unique 2.30, 4.51 A)
&rst
ixpk= 916, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 402, 403,
igr2=1825,1826,1827,1829,1830,1831,
&end
#
# 114 GLU HA 117 VAL MGX 3.50 (# 917:20 Unique 1.97, 3.56 A)
&rst
ixpk= 917, nxpk= 20, iat=1769, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1825,1826,1827,1829,1830,1831,
&end
#
# 117 VAL HB 117 VAL MGX 3.50 (# 918:20 Unique 2.22, 2.63 A)
&rst
ixpk= 918, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1825,1826,1827,1829,1830,1831,
&end
#
# 13 LEU MDY 117 VAL MGX 4.50 (# 919:20 Unique 1.98, 5.24 A)
&rst
ixpk= 919, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 195, 196, 197, 199, 200, 201,
igr2=1825,1826,1827,1829,1830,1831,
&end
#
# 0 AMB 20-2:920 42 VAL MGY 4.50 (# 920:20 Single Ambig)
&rst
ixpk= 920, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 659, 660, 659, 660,
igr2= 673, 674, 675, 677, 678, 679,
&end
#
# 42 VAL HB 42 VAL MGY 2.80 (# 921:20 Unique 2.22, 2.63 A)
&rst
ixpk= 921, nxpk= 20, iat= 671, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 673, 674, 675, 677, 678, 679,
&end
#
# 0 AMB 20-2:922 124 VAL MGX 4.50 (# 922:20 Single Ambig)
&rst
ixpk= 922, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1937,1930,1931,
igr2=1941,1942,1943,1945,1946,1947,
&end
#
# 124 VAL HB 124 VAL MGX 3.50 (# 923:20 Unique 2.22, 2.63 A)
&rst
ixpk= 923, nxpk= 20, iat=1939, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1941,1942,1943,1945,1946,1947,
&end
#
# 68 VAL HB 68 VAL MGY 3.50 (# 924:20 Unique 2.22, 2.63 A)
&rst
ixpk= 924, nxpk= 20, iat=1048, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 25 ALA MB 68 VAL MGY 4.50 (# 925:20 Unique 2.53, 5.59 A)
&rst
ixpk= 925, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 426, 427, 428,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 125 ALA HA 125 ALA MB 3.50 (# 928:20 Unique 2.22, 2.63 A)
&rst
ixpk= 928, nxpk= 20, iat=1953, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1955,1956,1957,
&end
#
# 77 ASN HN 76 VAL MGY 3.50 (# 929:20 Unique 2.91, 4.58 A)
&rst
ixpk= 929, nxpk= 20, iat=1176, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 76 VAL HA 76 VAL MGY 3.50 (# 930:20 Unique 2.46, 3.51 A)
&rst
ixpk= 930, nxpk= 20, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 12 ASP HB+ 76 VAL MGY 3.50 (# 931:20 Unique 1.95, 4.20 A)
&rst
ixpk= 931, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 178, 179,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 76 VAL HB 76 VAL MGY 3.50 (# 932:20 Unique 2.22, 2.63 A)
&rst
ixpk= 932, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 0 AMB 20-2:935 104 VAL MGY 3.50 (# 935:20 Single Ambig)
&rst
ixpk= 935, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 869,1605,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 104 VAL HB 104 VAL MGY 3.50 (# 936:20 Unique 2.22, 2.63 A)
&rst
ixpk= 936, nxpk= 20, iat=1609, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 58 ALA MB 104 VAL MGY 3.50 (# 937:20 Unique 1.98, 4.64 A)
&rst
ixpk= 937, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 873, 874, 875,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 36 LEU MDX 104 VAL MGY 3.50 (# 939:20 Unique 1.99, 4.81 A)
&rst
ixpk= 939, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 593, 594, 595, 597, 598, 599,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 124 VAL HA 124 VAL MGY 4.50 (# 941:20 Unique 2.31, 3.33 A)
&rst
ixpk= 941, nxpk= 20, iat=1937, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1941,1942,1943,1945,1946,1947,
&end
#
# 124 VAL HB 124 VAL MGY 3.50 (# 942:20 Unique 2.22, 2.63 A)
&rst
ixpk= 942, nxpk= 20, iat=1939, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1941,1942,1943,1945,1946,1947,
&end
#
# 0 AMB 20-2:945 0 AMB 20-1:945 2.80 (# 945:20 Double Ambig)
&rst
ixpk= 945, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1= 729, 685, 794,
igr2= 731, 732, 733, 687, 688, 689, 796, 797, 798,
&end
#
# 0 AMB 20-2:946 0 AMB 20-1:946 4.50 (# 946:20 Double Ambig)
&rst
ixpk= 946, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
igr1= 785, 786, 695, 696, 741, 742,
igr2= 796, 797, 798, 687, 688, 689, 731, 732, 733,
&end
#
# 42 VAL HB 43 ALA MB 3.50 (# 947:20 Unique 3.18, 4.48 A)
&rst
ixpk= 947, nxpk= 20, iat= 671, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 687, 688, 689,
&end
#
# 28 VAL HN 28 VAL MGY 3.50 (# 948:20 Unique 2.34, 3.29 A)
&rst
ixpk= 948, nxpk= 20, iat= 472, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 33 VAL HA 28 VAL MGY 4.50 (# 949:20 Unique 2.10, 3.90 A)
&rst
ixpk= 949, nxpk= 20, iat= 537, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 0 AMB 20-2:950 28 VAL MGY 3.50 (# 950:20 Single Ambig)
&rst
ixpk= 950, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 453, 516,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 32 TYR HB- 28 VAL MGY 3.50 (# 951:20 Unique 2.16, 4.36 A)
&rst
ixpk= 951, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 518, 519,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 28 VAL HB 28 VAL MGY 3.50 (# 952:20 Unique 2.22, 2.63 A)
&rst
ixpk= 952, nxpk= 20, iat= 476, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 62 LYS HE+ 28 VAL MGY 4.50 (# 953:20 Unique 2.06, 4.80 A)
&rst
ixpk= 953, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 949, 950,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 69 ALA HN 69 ALA MB 3.50 (# 957:20 Unique 2.08, 2.90 A)
&rst
ixpk= 957, nxpk= 20, iat=1060, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1064,1065,1066,
&end
#
# 93 ILE HG1+ 93 ILE QG2 3.50 (# 958:20 Unique 2.08, 3.42 A)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1441,1442,
igr2=1437,1438,1439,
&end
#
# 97 GLU HG+ 93 ILE QG2 4.50 (# 959:20 Unique 2.23, 4.77 A)
&rst
ixpk= 959, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1508,1509,
igr2=1437,1438,1439,
&end
#
# 0 AMB 20-2:960 96 ALA MB 2.80 (# 960:20 Single Ambig)
&rst
ixpk= 960, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1491,1501,
igr2=1495,1496,1497,
&end
#
# 96 ALA HA 96 ALA MB 3.50 (# 961:20 Unique 2.22, 2.63 A)
&rst
ixpk= 961, nxpk= 20, iat=1493, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1495,1496,1497,
&end
#
# 93 ILE HA 96 ALA MB 3.50 (# 962:20 Unique 2.15, 3.32 A)
&rst
ixpk= 962, nxpk= 20, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1495,1496,1497,
&end
#
# 34 VAL HB 96 ALA MB 3.50 (# 963:20 Unique 2.84, 4.20 A)
&rst
ixpk= 963, nxpk= 20, iat= 555, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1495,1496,1497,
&end
#
# 0 AMB 20-2:964 96 ALA MB 3.50 (# 964:20 Single Ambig)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.53, r4= 7.28,
igr1=1868,1869,1556,1557,1558,1560,1561,1562,1540,1541,
1542,1544,1545,1546,
igr2=1495,1496,1497,
&end
#
# 0 AMB 20-2:965 96 ALA MB 2.80 (# 965:20 Single Ambig)
&rst
ixpk= 965, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 557, 558, 559, 561, 562, 563, 478, 479, 480, 482,
483, 484,
igr2=1495,1496,1497,
&end
#
# 120 LEU MDX 96 ALA MB 4.50 (# 966:20 Unique 2.14, 5.07 A)
&rst
ixpk= 966, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1873,1874,1875,1877,1878,1879,
igr2=1495,1496,1497,
&end
#
# 120 LEU MDY 96 ALA MB 3.50 (# 967:20 Unique 2.14, 5.07 A)
&rst
ixpk= 967, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1873,1874,1875,1877,1878,1879,
igr2=1495,1496,1497,
&end
#
# 69 ALA HA 69 ALA MB 3.50 (# 968:20 Unique 2.22, 2.63 A)
&rst
ixpk= 968, nxpk= 20, iat=1062, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1064,1065,1066,
&end
#
# 93 ILE HA 93 ILE QG2 3.50 (# 969:20 Unique 2.27, 3.06 A)
&rst
ixpk= 969, nxpk= 20, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1437,1438,1439,
&end
#
# 28 VAL HB 93 ILE QG2 4.50 (# 970:20 Unique 1.99, 2.86 A)
&rst
ixpk= 970, nxpk= 20, iat= 476, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1437,1438,1439,
&end
#
# 97 GLU HG- 93 ILE QG2 4.50 (# 971:20 Unique 2.23, 4.77 A)
&rst
ixpk= 971, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1508,1509,
igr2=1437,1438,1439,
&end
#
# 93 ILE HB 93 ILE QG2 2.80 (# 972:20 Unique 2.22, 2.63 A)
&rst
ixpk= 972, nxpk= 20, iat=1435, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1437,1438,1439,
&end
#
# 93 ILE HG1- 93 ILE QG2 3.50 (# 973:20 Unique 2.08, 3.42 A)
&rst
ixpk= 973, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1441,1442,
igr2=1437,1438,1439,
&end
#
# 16 ILE HA 16 ILE QG2 3.50 (# 974:20 Unique 2.17, 3.05 A)
&rst
ixpk= 974, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 245, 246, 247,
&end
#
# 0 AMB 20-2:975 16 ILE QG2 4.50 (# 975:20 Single Ambig)
&rst
ixpk= 975, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1081,1082,1062,
igr2= 245, 246, 247,
&end
#
# 74 TYR HB+ 16 ILE QG2 3.50 (# 976:20 Unique 1.98, 4.23 A)
&rst
ixpk= 976, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1126,1127,
igr2= 245, 246, 247,
&end
#
# 0 AMB 20-2:977 16 ILE QG2 3.50 (# 977:20 Single Ambig)
&rst
ixpk= 977, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 285, 286, 243,
igr2= 245, 246, 247,
&end
#
# 0 AMB 20-2:978 16 ILE QG2 3.50 (# 978:20 Single Ambig)
&rst
ixpk= 978, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 285, 286, 249, 250,
igr2= 245, 246, 247,
&end
#
# 69 ALA MB 16 ILE QG2 4.50 (# 979:20 Unique 1.99, 5.03 A)
&rst
ixpk= 979, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1064,1065,1066,
igr2= 245, 246, 247,
&end
#
# 16 ILE QD1 16 ILE QG2 3.50 (# 980:20 Unique 1.99, 3.53 A)
&rst
ixpk= 980, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 252, 253, 254,
igr2= 245, 246, 247,
&end
#
# 33 VAL HN 33 VAL MGY 3.50 (# 981:20 Unique 2.10, 3.48 A)
&rst
ixpk= 981, nxpk= 20, iat= 535, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 63 GLU HN 33 VAL MGY 4.50 (# 982:20 Unique 2.94, 5.14 A)
&rst
ixpk= 982, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 65 LEU HA 33 VAL MGY 3.50 (# 983:20 Unique 1.94, 3.40 A)
&rst
ixpk= 983, nxpk= 20, iat= 994, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 33 VAL HB 33 VAL MGY 3.50 (# 984:20 Unique 2.22, 2.63 A)
&rst
ixpk= 984, nxpk= 20, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 0 AMB 20-2:985 33 VAL MGY 3.50 (# 985:20 Single Ambig)
&rst
ixpk= 985, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 215, 216, 426, 427, 428,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 92 ILE HA 92 ILE QG2 3.50 (# 987:20 Unique 2.34, 3.19 A)
&rst
ixpk= 987, nxpk= 20, iat=1414, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1418,1419,1420,
&end
#
# 74 TYR HD 14 ILE QG2 3.50 (# 988:20 Unique 3.00, 5.15 A)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1130,1139,
igr2= 211, 212, 213,
&end
#
# 14 ILE HB 14 ILE QG2 3.50 (# 989:20 Unique 2.24, 2.63 A)
&rst
ixpk= 989, nxpk= 20, iat= 209, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 211, 212, 213,
&end
#
# 14 ILE HG1- 14 ILE QG2 4.50 (# 990:20 Unique 2.26, 3.50 A)
&rst
ixpk= 990, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 215, 216,
igr2= 211, 212, 213,
&end
#
# 0 AMB 20-2:991 14 ILE QG2 3.50 (# 991:20 Single Ambig)
&rst
ixpk= 991, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 215, 216, 426, 427, 428,
igr2= 211, 212, 213,
&end
#
# 14 ILE HA 14 ILE QG2 3.50 (# 992:20 Unique 2.28, 3.07 A)
&rst
ixpk= 992, nxpk= 20, iat= 207, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 211, 212, 213,
&end
#
# 74 TYR HB+ 14 ILE QG2 3.50 (# 993:20 Unique 2.93, 4.16 A)
&rst
ixpk= 993, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1126,1127,
igr2= 211, 212, 213,
&end
#
# 16 ILE HG1+ 14 ILE QG2 3.50 (# 994:20 Unique 2.86, 4.58 A)
&rst
ixpk= 994, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 249, 250,
igr2= 211, 212, 213,
&end
#
# 65 LEU MDX 14 ILE QG2 3.50 (# 995:20 Unique 1.97, 4.03 A)
&rst
ixpk= 995, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1001,1002,1003,1005,1006,1007,
igr2= 211, 212, 213,
&end
#
# 121 ARG HA 92 ILE QG2 3.50 (# 996:20 Unique 2.05, 4.26 A)
&rst
ixpk= 996, nxpk= 20, iat=1885, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1418,1419,1420,
&end
#
# 11 GLY HA+ 92 ILE QG2 3.50 (# 997:20 Unique 1.97, 3.23 A)
&rst
ixpk= 997, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 169, 170,
igr2=1418,1419,1420,
&end
#
# 92 ILE HB 92 ILE QG2 3.50 (# 998:20 Unique 2.22, 2.63 A)
&rst
ixpk= 998, nxpk= 20, iat=1416, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1418,1419,1420,
&end
#
# 0 AMB 20-2:999 92 ILE QG2 3.50 (# 999:20 Single Ambig)
&rst
ixpk= 999, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1422,1423, 442, 443,
igr2=1418,1419,1420,
&end
#
# 0 AMB 20-2:1000 92 ILE QG2 4.50 (# 1000:20 Single Ambig)
&rst
ixpk= 1000, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1441,1442,1887,1888,
igr2=1418,1419,1420,
&end
#
# 92 ILE HG1- 92 ILE QG2 3.50 (# 1001:20 Unique 1.98, 3.35 A)
&rst
ixpk= 1001, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1422,1423,
igr2=1418,1419,1420,
&end
#
# 0 AMB 20-2:1002 92 ILE QG2 2.80 (# 1002:20 Single Ambig)
&rst
ixpk= 1002, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1=1425,1426,1427,1868,1869,
igr2=1418,1419,1420,
&end
#
# 0 AMB 20-2:1005 5 ILE QG2 4.50 (# 1005:20 Single Ambig)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 73, 124, 125,
igr2= 75, 76, 77,
&end
#
# 0 AMB 20-2:1006 59 ILE QG2 2.80 (# 1006:20 Single Ambig)
&rst
ixpk= 1006, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 889, 890, 607, 608, 609,
igr2= 885, 886, 887,
&end
#
# 60 VAL HN 59 ILE QG2 4.50 (# 1007:20 Unique 2.10, 4.43 A)
&rst
ixpk= 1007, nxpk= 20, iat= 898, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 885, 886, 887,
&end
#
# 59 ILE HA 59 ILE QG2 3.50 (# 1008:20 Unique 2.53, 3.23 A)
&rst
ixpk= 1008, nxpk= 20, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 885, 886, 887,
&end
#
# 59 ILE HB 59 ILE QG2 2.80 (# 1009:20 Unique 2.36, 2.63 A)
&rst
ixpk= 1009, nxpk= 20, iat= 883, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 885, 886, 887,
&end
#
# 59 ILE HG1- 59 ILE QG2 3.50 (# 1010:20 Unique 2.45, 3.51 A)
&rst
ixpk= 1010, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 889, 890,
igr2= 885, 886, 887,
&end
#
# 0 AMB 20-2:1011 26 ILE QD1 2.80 (# 1011:20 Single Ambig)
&rst
ixpk= 1011, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 442, 443,1422,1423,
igr2= 445, 446, 447,
&end
#
# 26 ILE QG2 26 ILE QD1 2.80 (# 1012:20 Unique 2.57, 4.25 A)
&rst
ixpk= 1012, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 438, 439, 440,
igr2= 445, 446, 447,
&end
#
# 26 ILE HN 26 ILE QG2 3.50 (# 1013:20 Unique 2.03, 3.17 A)
&rst
ixpk= 1013, nxpk= 20, iat= 432, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 438, 439, 440,
&end
#
# 34 VAL HB 26 ILE QG2 3.50 (# 1014:20 Unique 1.94, 2.54 A)
&rst
ixpk= 1014, nxpk= 20, iat= 555, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 438, 439, 440,
&end
#
# 26 ILE HB 26 ILE QG2 3.50 (# 1015:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1015, nxpk= 20, iat= 436, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 438, 439, 440,
&end
#
# 120 LEU MDY 26 ILE QG2 3.50 (# 1016:20 Unique 1.98, 5.15 A)
&rst
ixpk= 1016, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1873,1874,1875,1877,1878,1879,
igr2= 438, 439, 440,
&end
#
# 0 AMB 20-2:1017 26 ILE QG2 3.50 (# 1017:20 Single Ambig)
&rst
ixpk= 1017, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1=1825,1826,1827,1829,1830,1831,1495,1496,1497,
igr2= 438, 439, 440,
&end
#
# 28 VAL MGX 26 ILE QG2 2.80 (# 1018:20 Unique 2.28, 5.45 A)
&rst
ixpk= 1018, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 478, 479, 480, 482, 483, 484,
igr2= 438, 439, 440,
&end
#
# 0 AMB 20-2:1019 92 ILE QD1 3.50 (# 1019:20 Single Ambig)
&rst
ixpk= 1019, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1370,1885,
igr2=1425,1426,1427,
&end
#
# 92 ILE HB 92 ILE QD1 3.50 (# 1020:20 Unique 2.11, 2.98 A)
&rst
ixpk= 1020, nxpk= 20, iat=1416, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1425,1426,1427,
&end
#
# 92 ILE HG1+ 92 ILE QD1 3.50 (# 1021:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1021, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1422,1423,
igr2=1425,1426,1427,
&end
#
# 0 AMB 20-2:1022 92 ILE QD1 3.50 (# 1022:20 Single Ambig)
&rst
ixpk= 1022, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1339,1340,1887,1888,
igr2=1425,1426,1427,
&end
#
# 92 ILE HG1- 92 ILE QD1 3.50 (# 1023:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1023, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1422,1423,
igr2=1425,1426,1427,
&end
#
# 92 ILE QG2 92 ILE QD1 3.50 (# 1024:20 Unique 2.04, 4.05 A)
&rst
ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1418,1419,1420,
igr2=1425,1426,1427,
&end
#
# 16 ILE HG1+ 16 ILE QD1 3.50 (# 1025:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1025, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 249, 250,
igr2= 252, 253, 254,
&end
#
# 69 ALA MB 16 ILE QD1 3.50 (# 1026:20 Unique 1.98, 3.45 A)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1064,1065,1066,
igr2= 252, 253, 254,
&end
#
# 16 ILE QG2 16 ILE QD1 3.50 (# 1027:20 Unique 1.99, 3.53 A)
&rst
ixpk= 1027, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 245, 246, 247,
igr2= 252, 253, 254,
&end
#
# 59 ILE HG1- 59 ILE QD1 3.50 (# 1028:20 Unique 2.23, 2.62 A)
&rst
ixpk= 1028, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 889, 890,
igr2= 892, 893, 894,
&end
#
# 0 AMB 20-2:1029 0 AMB 20-1:1029 2.80 (# 1029:20 Double Ambig)
&rst
ixpk= 1029, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1= 79, 80, 889, 890, 607, 608, 609,
igr2= 82, 83, 84, 892, 893, 894,
&end
#
# 28 VAL HA 93 ILE QD1 4.50 (# 1030:20 Unique 1.98, 3.78 A)
&rst
ixpk= 1030, nxpk= 20, iat= 474, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1444,1445,1446,
&end
#
# 93 ILE HA 93 ILE QD1 4.50 (# 1031:20 Unique 2.00, 4.32 A)
&rst
ixpk= 1031, nxpk= 20, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1444,1445,1446,
&end
#
# 10 PRO HB- 93 ILE QD1 3.50 (# 1032:20 Unique 1.99, 3.72 A)
&rst
ixpk= 1032, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 160, 161,
igr2=1444,1445,1446,
&end
#
# 0 AMB 20-2:1033 0 AMB 20-1:1033 3.50 (# 1033:20 Double Ambig)
&rst
ixpk= 1033, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1435, 59, 60,
igr2=1444,1445,1446, 82, 83, 84,
&end
#
# 0 AMB 20-2:1034 0 AMB 20-1:1034 3.50 (# 1034:20 Double Ambig)
&rst
ixpk= 1034, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1441,1442, 883, 924, 925,
igr2=1444,1445,1446, 892, 893, 894,
&end
#
# 0 AMB 20-2:1035 0 AMB 20-1:1035 3.50 (# 1035:20 Double Ambig)
&rst
ixpk= 1035, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 79, 80,1441,1442,
igr2= 82, 83, 84,1444,1445,1446,
&end
#
# 14 ILE HG1- 14 ILE QD1 3.50 (# 1036:20 Unique 2.24, 2.62 A)
&rst
ixpk= 1036, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 215, 216,
igr2= 218, 219, 220,
&end
#
# 76 VAL MGX 14 ILE QD1 3.50 (# 1037:20 Unique 1.99, 4.56 A)
&rst
ixpk= 1037, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1166,1167,1168,1170,1171,1172,
igr2= 218, 219, 220,
&end
#
# 0 AMB 20-2:1038 14 ILE QD1 3.50 (# 1038:20 Single Ambig)
&rst
ixpk= 1038, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1162, 207,
igr2= 218, 219, 220,
&end
#
# 14 ILE HG1+ 14 ILE QD1 3.50 (# 1039:20 Unique 2.24, 2.62 A)
&rst
ixpk= 1039, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 215, 216,
igr2= 218, 219, 220,
&end
#
# 100 VAL HB 100 VAL HA 4.50 (# 1040:20 Unique 2.44, 2.64 A)
&rst
ixpk= 1040, nxpk= 20, iat=1554,1552, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 102 GLN HN 100 VAL HA 4.50 (# 1041:20 Unique 3.09, 3.25 A)
&rst
ixpk= 1041, nxpk= 20, iat=1573,1552, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 VAL HN 100 VAL HA 4.50 (# 1042:20 Unique 2.69, 2.76 A)
&rst
ixpk= 1042, nxpk= 20, iat=1550,1552, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 VAL MGY 100 VAL HA 4.50 (# 1043:20 Unique 2.00, 3.63 A)
&rst
ixpk= 1043, nxpk= 20, iat= -1,1552, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 904, 905, 906, 908, 909, 910,
&end
#
# 92 ILE HG1+ 92 ILE HA 3.50 (# 1044:20 Unique 2.17, 2.73 A)
&rst
ixpk= 1044, nxpk= 20, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1422,1423,
&end
#
# 0 AMB 20-2:1045 92 ILE HA 4.50 (# 1045:20 Single Ambig)
&rst
ixpk= 1045, nxpk= 20, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1425,1426,1427,1868,1869,
&end
#
# 19 PRO HG+ 19 PRO HA 4.50 (# 1046:20 Unique 3.85, 3.94 A)
&rst
ixpk= 1046, nxpk= 20, iat= -1, 312, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 306, 307,
&end
#
# 20 PHE HN 19 PRO HA 4.50 (# 1047:20 Unique 3.39, 3.42 A)
&rst
ixpk= 1047, nxpk= 20, iat= 316, 312, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1049 93 ILE HA 4.50 (# 1049:20 Single Ambig)
&rst
ixpk= 1049, nxpk= 20, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1491,1501,
&end
#
# 120 LEU HB- 117 VAL HA 3.50 (# 1050:20 Unique 3.46, 4.17 A)
&rst
ixpk= 1050, nxpk= 20, iat= -1,1821, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1868,1869,
&end
#
# 120 LEU HN 117 VAL HA 4.50 (# 1051:20 Unique 3.34, 3.47 A)
&rst
ixpk= 1051, nxpk= 20, iat=1864,1821, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 117 VAL HN 117 VAL HA 4.50 (# 1052:20 Unique 2.75, 2.77 A)
&rst
ixpk= 1052, nxpk= 20, iat=1819,1821, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 116 PHE HB+ 113 CYS HA 4.50 (# 1053:20 Unique 2.77, 3.61 A)
&rst
ixpk= 1053, nxpk= 20, iat= -1,1758, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1803,1804,
&end
#
# 113 CYS HB+ 113 CYS HA 3.50 (# 1054:20 Unique 2.31, 2.73 A)
&rst
ixpk= 1054, nxpk= 20, iat= -1,1758, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1760,1761,
&end
#
# 116 PHE HB- 113 CYS HA 4.50 (# 1055:20 Unique 2.77, 3.61 A)
&rst
ixpk= 1055, nxpk= 20, iat= -1,1758, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1803,1804,
&end
#
# 113 CYS HB- 113 CYS HA 4.50 (# 1056:20 Unique 2.31, 2.73 A)
&rst
ixpk= 1056, nxpk= 20, iat= -1,1758, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1760,1761,
&end
#
# 114 GLU HN 113 CYS HA 4.50 (# 1058:20 Unique 3.56, 3.57 A)
&rst
ixpk= 1058, nxpk= 20, iat=1767,1758, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 28 VAL HA 10 PRO HA 4.50 (# 1059:20 Unique 2.71, 3.56 A)
&rst
ixpk= 1059, nxpk= 20, iat= 474, 163, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 ILE HG1+ 89 CYS HA 4.50 (# 1060:20 Unique 2.49, 4.35 A)
&rst
ixpk= 1060, nxpk= 20, iat= -1,1370, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1422,1423,
&end
#
# 0 AMB 20-2:1061 0 AMB 20-1:1061 4.50 (# 1061:20 Double Ambig)
&rst
ixpk= 1061, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1412,1243,
igr2=1370,1314,1315,
&end
#
# 93 ILE HN 89 CYS HA 5.50 (# 1062:20 Unique 3.50, 3.89 A)
&rst
ixpk= 1062, nxpk= 20, iat=1431,1370, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1063 0 AMB 20-1:1063 4.50 (# 1063:20 Double Ambig)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 889, 890, 79, 80,
igr2= 637, 98,
&end
#
# 0 AMB 20-2:1064 39 PRO HA 4.50 (# 1064:20 Single Ambig)
&rst
ixpk= 1064, nxpk= 20, iat= -1, 637, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 889, 890, 854, 855,
&end
#
# 59 ILE HB 39 PRO HA 5.50 (# 1065:20 Unique 2.86, 4.45 A)
&rst
ixpk= 1065, nxpk= 20, iat= 883, 637, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 8 PRO HG+ 8 PRO HA 4.50 (# 1066:20 Unique 3.85, 3.94 A)
&rst
ixpk= 1066, nxpk= 20, iat= -1, 127, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 121, 122,
&end
#
# 9 LYS HG+ 8 PRO HA 5.50 (# 1067:20 Unique 3.32, 4.99 A)
&rst
ixpk= 1067, nxpk= 20, iat= -1, 127, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 138, 139,
&end
#
# 116 PHE HB+ 116 PHE HA 3.50 (# 1068:20 Unique 2.24, 2.64 A)
&rst
ixpk= 1068, nxpk= 20, iat= -1,1801, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1803,1804,
&end
#
# 43 ALA MB 42 VAL HA 4.50 (# 1069:20 Unique 4.43, 5.31 A)
&rst
ixpk= 1069, nxpk= 20, iat= -1, 669, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 687, 688, 689,
&end
#
# 42 VAL HN 42 VAL HA 4.50 (# 1070:20 Unique 2.28, 2.89 A)
&rst
ixpk= 1070, nxpk= 20, iat= 667, 669, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 ALA HN 42 VAL HA 4.50 (# 1071:20 Unique 2.42, 2.87 A)
&rst
ixpk= 1071, nxpk= 20, iat= 683, 669, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 ASP HN 55 THR HA 4.50 (# 1072:20 Unique 2.14, 2.36 A)
&rst
ixpk= 1072, nxpk= 20, iat= 835, 823, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 VAL HB 34 VAL HA 4.50 (# 1073:20 Unique 2.30, 2.96 A)
&rst
ixpk= 1073, nxpk= 20, iat= 555, 553, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1074 34 VAL HA 4.50 (# 1074:20 Single Ambig)
&rst
ixpk= 1074, nxpk= 20, iat= -1, 553, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 580,1809,1813,
&end
#
# 63 GLU HN 34 VAL HA 4.50 (# 1075:20 Unique 3.40, 3.74 A)
&rst
ixpk= 1075, nxpk= 20, iat= 958, 553, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 125 ALA MB 124 VAL HA 5.50 (# 1077:20 Unique 4.12, 5.00 A)
&rst
ixpk= 1077, nxpk= 20, iat= -1,1937, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1955,1956,1957,
&end
#
# 16 ILE HG1+ 16 ILE HA 5.50 (# 1078:20 Unique 2.36, 3.37 A)
&rst
ixpk= 1078, nxpk= 20, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 249, 250,
&end
#
# 66 TYR HB+ 66 TYR HA 3.50 (# 1079:20 Unique 2.25, 2.66 A)
&rst
ixpk= 1079, nxpk= 20, iat= -1,1013, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1015,1016,
&end
#
# 118 ASN HB+ 115 HIS HA 4.50 (# 1080:20 Unique 2.37, 3.19 A)
&rst
ixpk= 1080, nxpk= 20, iat= -1,1784, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1839,1840,
&end
#
# 114 GLU HB- 111 GLU HA 4.50 (# 1081:20 Unique 2.88, 3.72 A)
&rst
ixpk= 1081, nxpk= 20, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1771,1772,
&end
#
# 118 ASN HD2+ 115 HIS HA 4.50 (# 1082:20 Unique 4.15, 4.88 A)
&rst
ixpk= 1082, nxpk= 20, iat= -1,1784, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1844,1845,
&end
#
# 112 ASN HN 111 GLU HA 4.50 (# 1083:20 Unique 3.37, 3.48 A)
&rst
ixpk= 1083, nxpk= 20, iat=1742,1729, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 111 GLU HN 111 GLU HA 4.50 (# 1084:20 Unique 2.83, 2.88 A)
&rst
ixpk= 1084, nxpk= 20, iat=1727,1729, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1085 119 GLU HA 4.50 (# 1085:20 Single Ambig)
&rst
ixpk= 1085, nxpk= 20, iat= -1,1851, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1864,1915,1924,
&end
#
# 0 AMB 20-2:1086 119 GLU HA 4.50 (# 1086:20 Single Ambig)
&rst
ixpk= 1086, nxpk= 20, iat= -1,1851, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1907,1835,
&end
#
# 100 VAL HN 97 GLU HA 4.50 (# 1087:20 Unique 3.34, 3.52 A)
&rst
ixpk= 1087, nxpk= 20, iat=1550,1503, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 98 GLU HN 97 GLU HA 4.50 (# 1088:20 Unique 3.32, 3.34 A)
&rst
ixpk= 1088, nxpk= 20, iat=1516,1503, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 114 GLU HB- 114 GLU HA 4.50 (# 1089:20 Unique 2.29, 2.78 A)
&rst
ixpk= 1089, nxpk= 20, iat= -1,1769, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1771,1772,
&end
#
# 24 TRP HB+ 114 GLU HA 4.50 (# 1090:20 Unique 2.16, 2.82 A)
&rst
ixpk= 1090, nxpk= 20, iat= -1,1769, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 402, 403,
&end
#
# 114 GLU HN 114 GLU HA 4.50 (# 1091:20 Unique 2.76, 2.78 A)
&rst
ixpk= 1091, nxpk= 20, iat=1767,1769, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1092 94 GLN HA 4.50 (# 1092:20 Single Ambig)
&rst
ixpk= 1092, nxpk= 20, iat= -1,1452, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1501,1491,
&end
#
# 0 AMB 20-2:1093 26 ILE HA 4.50 (# 1093:20 Single Ambig)
&rst
ixpk= 1093, nxpk= 20, iat= -1, 434, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 215, 216,1825,1826,1827,1829,1830,1831,
&end
#
# 26 ILE QG2 26 ILE HA 4.50 (# 1094:20 Unique 3.40, 3.88 A)
&rst
ixpk= 1094, nxpk= 20, iat= -1, 434, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 438, 439, 440,
&end
#
# 13 LEU HA 26 ILE HA 4.50 (# 1095:20 Unique 2.12, 2.44 A)
&rst
ixpk= 1095, nxpk= 20, iat= 188, 434, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 ILE HN 26 ILE HA 4.50 (# 1096:20 Unique 2.94, 2.95 A)
&rst
ixpk= 1096, nxpk= 20, iat= 432, 434, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 121 ARG HN 121 ARG HA 3.50 (# 1097:20 Unique 2.78, 2.82 A)
&rst
ixpk= 1097, nxpk= 20, iat=1883,1885, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 95 ARG HD- 95 ARG HA 4.50 (# 1098:20 Unique 2.15, 3.32 A)
&rst
ixpk= 1098, nxpk= 20, iat= -1,1469, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1477,1478,
&end
#
# 95 ARG HD+ 95 ARG HA 4.50 (# 1099:20 Unique 2.15, 3.32 A)
&rst
ixpk= 1099, nxpk= 20, iat= -1,1469, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1477,1478,
&end
#
# 99 LEU HN 98 GLU HA 4.50 (# 1100:20 Unique 3.38, 3.45 A)
&rst
ixpk= 1100, nxpk= 20, iat=1531,1518, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 98 GLU HN 95 ARG HA 4.50 (# 1101:20 Unique 3.11, 3.27 A)
&rst
ixpk= 1101, nxpk= 20, iat=1516,1469, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 72 ASP HN 71 SER HA 4.50 (# 1102:20 Unique 3.10, 3.27 A)
&rst
ixpk= 1102, nxpk= 20, iat=1088,1079, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1103 14 ILE HA 4.50 (# 1103:20 Single Ambig)
&rst
ixpk= 1103, nxpk= 20, iat= -1, 207, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 215, 216, 228, 229,
&end
#
# 91 LYS HD+ 91 LYS HA 3.50 (# 1104:20 Unique 2.01, 2.93 A)
&rst
ixpk= 1104, nxpk= 20, iat= -1,1392, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1400,1401,
&end
#
# 0 AMB 20-2:1105 91 LYS HA 4.50 (# 1105:20 Single Ambig)
&rst
ixpk= 1105, nxpk= 20, iat= -1,1392, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1462,1463,1450,
&end
#
# 33 VAL MGX 65 LEU HA 4.50 (# 1106:20 Unique 1.94, 3.40 A)
&rst
ixpk= 1106, nxpk= 20, iat= -1, 994, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 541, 542, 543, 545, 546, 547,
&end
#
# 65 LEU HG 65 LEU HA 4.50 (# 1107:20 Unique 2.27, 2.45 A)
&rst
ixpk= 1107, nxpk= 20, iat= 999, 994, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 LEU HB- 65 LEU HA 3.50 (# 1108:20 Unique 2.60, 2.83 A)
&rst
ixpk= 1108, nxpk= 20, iat= -1, 994, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 996, 997,
&end
#
# 65 LEU HN 65 LEU HA 4.50 (# 1109:20 Unique 2.73, 2.74 A)
&rst
ixpk= 1109, nxpk= 20, iat= 992, 994, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 VAL MGY 33 VAL HA 4.50 (# 1110:20 Unique 2.24, 3.47 A)
&rst
ixpk= 1110, nxpk= 20, iat= -1, 537, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 541, 542, 543, 545, 546, 547,
&end
#
# 28 VAL MGY 33 VAL HA 4.50 (# 1111:20 Unique 2.10, 3.90 A)
&rst
ixpk= 1111, nxpk= 20, iat= -1, 537, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 478, 479, 480, 482, 483, 484,
&end
#
# 0 AMB 20-2:1112 33 VAL HA 5.50 (# 1112:20 Single Ambig)
&rst
ixpk= 1112, nxpk= 20, iat= -1, 537, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 426, 427, 428, 215, 216,
&end
#
# 0 AMB 20-2:1113 33 VAL HA 4.50 (# 1113:20 Single Ambig)
&rst
ixpk= 1113, nxpk= 20, iat= -1, 537, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 535, 432,
&end
#
# 120 LEU MDY 120 LEU HA 4.50 (# 1114:20 Unique 2.23, 4.03 A)
&rst
ixpk= 1114, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 87 LEU MDY 120 LEU HA 4.50 (# 1115:20 Unique 2.75, 5.54 A)
&rst
ixpk= 1115, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1344,1345,1346,1348,1349,1350,
&end
#
# 120 LEU HB- 120 LEU HA 3.50 (# 1116:20 Unique 2.27, 2.62 A)
&rst
ixpk= 1116, nxpk= 20, iat= -1,1866, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1868,1869,
&end
#
# 120 LEU HN 120 LEU HA 4.50 (# 1117:20 Unique 2.88, 2.92 A)
&rst
ixpk= 1117, nxpk= 20, iat=1864,1866, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 PHE HN 17 PHE HA 4.50 (# 1118:20 Unique 2.82, 2.91 A)
&rst
ixpk= 1118, nxpk= 20, iat= 258, 260, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1119 0 AMB 20-1:1119 4.50 (# 1119:20 Double Ambig)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 193, 977, 978,
igr2=1837,1034,
&end
#
# 0 AMB 20-2:1120 118 ASN HA 3.50 (# 1120:20 Single Ambig)
&rst
ixpk= 1120, nxpk= 20, iat= -1,1837, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1835,1907,
&end
#
# 83 LYS HN 83 LYS HA 3.50 (# 1121:20 Unique 2.88, 2.92 A)
&rst
ixpk= 1121, nxpk= 20, iat=1267,1269, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 LYS HG+ 73 LYS HA 3.50 (# 1122:20 Unique 2.06, 3.24 A)
&rst
ixpk= 1122, nxpk= 20, iat= -1,1102, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1107,1108,
&end
#
# 50 VAL MGY 51 MET HA 4.50 (# 1123:20 Unique 3.32, 5.60 A)
&rst
ixpk= 1123, nxpk= 20, iat= -1, 766, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 754, 755, 756, 758, 759, 760,
&end
#
# 24 TRP HB+ 24 TRP HA 4.50 (# 1124:20 Unique 2.67, 2.83 A)
&rst
ixpk= 1124, nxpk= 20, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 402, 403,
&end
#
# 0 AMB 20-2:1125 24 TRP HA 4.50 (# 1125:20 Single Ambig)
&rst
ixpk= 1125, nxpk= 20, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 426, 427, 428,1825,1826,1827,1829,1830,1831,
&end
#
# 0 AMB 20-2:1126 24 TRP HA 4.50 (# 1126:20 Single Ambig)
&rst
ixpk= 1126, nxpk= 20, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 228, 229, 211, 212, 213,1774,1775,
&end
#
# 24 TRP HN 24 TRP HA 4.50 (# 1127:20 Unique 2.91, 2.92 A)
&rst
ixpk= 1127, nxpk= 20, iat= 398, 400, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 24 TRP HZ3 24 TRP HA 5.50 (# 1128:20 Unique 4.90, 5.07 A)
&rst
ixpk= 1128, nxpk= 20, iat= 415, 400, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 GLY HN 30 ASP HA 4.50 (# 1129:20 Unique 2.45, 3.27 A)
&rst
ixpk= 1129, nxpk= 20, iat= 507, 497, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 106 TYR HB- 106 TYR HA 3.50 (# 1130:20 Unique 2.35, 2.48 A)
&rst
ixpk= 1130, nxpk= 20, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1644,1645,
&end
#
# 106 TYR HN 57 LYS HA 4.50 (# 1131:20 Unique 3.00, 3.63 A)
&rst
ixpk= 1131, nxpk= 20, iat=1640, 849, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 LYS HN 57 LYS HA 4.50 (# 1132:20 Unique 2.81, 2.92 A)
&rst
ixpk= 1132, nxpk= 20, iat= 847, 849, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 106 TYR HD 106 TYR HA 4.50 (# 1133:20 Unique 1.94, 4.14 A)
&rst
ixpk= 1133, nxpk= 20, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1648,1657,
&end
#
# 107 LYS HN 106 TYR HA 2.80 (# 1134:20 Unique 2.21, 2.30 A)
&rst
ixpk= 1134, nxpk= 20, iat=1661,1642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 58 ALA HN 57 LYS HA 2.80 (# 1135:20 Unique 2.14, 2.33 A)
&rst
ixpk= 1135, nxpk= 20, iat= 869, 849, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 19 PRO HD- 18 ARG HA 3.50 (# 1136:20 Unique 2.34, 2.45 A)
&rst
ixpk= 1136, nxpk= 20, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 303, 304,
&end
#
# 0 AMB 20-2:1137 96 ALA HA 4.50 (# 1137:20 Single Ambig)
&rst
ixpk= 1137, nxpk= 20, iat= -1,1493, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1535,1536, 555,
&end
#
# 0 AMB 20-2:1138 96 ALA HA 4.50 (# 1138:20 Single Ambig)
&rst
ixpk= 1138, nxpk= 20, iat= -1,1493, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1538, 940, 941,
&end
#
# 99 LEU HB- 96 ALA HA 4.50 (# 1139:20 Unique 2.97, 4.23 A)
&rst
ixpk= 1139, nxpk= 20, iat= -1,1493, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1535,1536,
&end
#
# 99 LEU HN 96 ALA HA 4.50 (# 1140:20 Unique 3.25, 3.59 A)
&rst
ixpk= 1140, nxpk= 20, iat=1531,1493, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 115 HIS HD2 112 ASN HA 4.50 (# 1141:20 Unique 3.56, 4.38 A)
&rst
ixpk= 1141, nxpk= 20, iat=1795,1744, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 115 HIS HN 112 ASN HA 4.50 (# 1142:20 Unique 3.40, 3.51 A)
&rst
ixpk= 1142, nxpk= 20, iat=1782,1744, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 LEU HB- 64 LEU HA 4.50 (# 1143:20 Unique 2.44, 2.81 A)
&rst
ixpk= 1143, nxpk= 20, iat= -1, 975, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 977, 978,
&end
#
# 64 LEU HG 64 LEU HA 4.50 (# 1144:20 Unique 2.13, 2.72 A)
&rst
ixpk= 1144, nxpk= 20, iat= 980, 975, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 LEU HB+ 64 LEU HA 3.50 (# 1145:20 Unique 2.44, 2.81 A)
&rst
ixpk= 1145, nxpk= 20, iat= -1, 975, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 977, 978,
&end
#
# 32 TYR HD 64 LEU HA 5.50 (# 1146:20 Unique 2.44, 4.35 A)
&rst
ixpk= 1146, nxpk= 20, iat= -1, 975, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 522, 531,
&end
#
# 0 AMB 20-2:1147 64 LEU HA 3.50 (# 1147:20 Single Ambig)
&rst
ixpk= 1147, nxpk= 20, iat= -1, 975, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 973, 535,
&end
#
# 14 ILE QG2 74 TYR HA 4.50 (# 1149:20 Unique 4.79, 5.63 A)
&rst
ixpk= 1149, nxpk= 20, iat= -1,1124, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 211, 212, 213,
&end
#
# 62 LYS HB- 62 LYS HA 4.50 (# 1150:20 Unique 2.37, 2.71 A)
&rst
ixpk= 1150, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 940, 941,
&end
#
# 62 LYS HG+ 62 LYS HA 3.50 (# 1151:20 Unique 2.47, 2.94 A)
&rst
ixpk= 1151, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 943, 944,
&end
#
# 62 LYS HN 62 LYS HA 4.50 (# 1153:20 Unique 2.92, 2.94 A)
&rst
ixpk= 1153, nxpk= 20, iat= 936, 938, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1154 62 LYS HA 4.50 (# 1154:20 Single Ambig)
&rst
ixpk= 1154, nxpk= 20, iat= -1, 938, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 567, 914,
&end
#
# 23 HIS HN 23 HIS HA 4.50 (# 1155:20 Unique 2.88, 2.94 A)
&rst
ixpk= 1155, nxpk= 20, iat= 381, 383, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 107 LYS HB+ 56 ASP HA 4.50 (# 1156:20 Unique 2.43, 3.94 A)
&rst
ixpk= 1156, nxpk= 20, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1665,1666,
&end
#
# 106 TYR HN 105 LEU HA 3.50 (# 1157:20 Unique 3.00, 3.26 A)
&rst
ixpk= 1157, nxpk= 20, iat=1640,1623, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 56 ASP HN 56 ASP HA 4.50 (# 1158:20 Unique 2.27, 2.83 A)
&rst
ixpk= 1158, nxpk= 20, iat= 835, 837, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 GLU HG- 15 GLU HA 4.50 (# 1159:20 Unique 2.19, 3.06 A)
&rst
ixpk= 1159, nxpk= 20, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 231, 232,
&end
#
# 15 GLU HB- 15 GLU HA 3.50 (# 1160:20 Unique 2.30, 2.72 A)
&rst
ixpk= 1160, nxpk= 20, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 228, 229,
&end
#
# 24 TRP HA 15 GLU HA 4.50 (# 1161:20 Unique 2.42, 2.82 A)
&rst
ixpk= 1161, nxpk= 20, iat= 400, 226, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 GLU HB+ 7 GLU HA 3.50 (# 1162:20 Unique 2.29, 2.63 A)
&rst
ixpk= 1162, nxpk= 20, iat= -1, 104, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 106, 107,
&end
#
# 7 GLU HG- 7 GLU HA 4.50 (# 1163:20 Unique 2.20, 3.39 A)
&rst
ixpk= 1163, nxpk= 20, iat= -1, 104, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 109, 110,
&end
#
# 86 PRO HG+ 87 LEU HA 5.50 (# 1164:20 Unique 4.15, 5.42 A)
&rst
ixpk= 1164, nxpk= 20, iat= -1,1337, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1325,1326,
&end
#
# 87 LEU HN 87 LEU HA 4.50 (# 1165:20 Unique 2.74, 2.91 A)
&rst
ixpk= 1165, nxpk= 20, iat=1335,1337, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 LEU MDX 36 LEU HA 3.50 (# 1166:20 Unique 1.94, 3.15 A)
&rst
ixpk= 1166, nxpk= 20, iat= -1, 586, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 593, 594, 595, 597, 598, 599,
&end
#
# 0 AMB 20-2:1167 36 LEU HA 5.50 (# 1167:20 Single Ambig)
&rst
ixpk= 1167, nxpk= 20, iat= -1, 586, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 904, 905, 906, 908, 909, 910,1692,1693,1694,1696,
1697,1698,
&end
#
# 36 LEU HB+ 36 LEU HA 3.50 (# 1168:20 Unique 2.67, 2.84 A)
&rst
ixpk= 1168, nxpk= 20, iat= -1, 586, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 588, 589,
&end
#
# 118 ASN HB+ 125 ALA HA 4.50 (# 1169:20 Unique 2.00, 3.45 A)
&rst
ixpk= 1169, nxpk= 20, iat= -1,1953, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1839,1840,
&end
#
# 118 ASN HB- 125 ALA HA 4.50 (# 1170:20 Unique 2.00, 3.45 A)
&rst
ixpk= 1170, nxpk= 20, iat= -1,1953, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1839,1840,
&end
#
# 60 VAL HA 36 LEU HA 3.50 (# 1171:20 Unique 2.53, 2.73 A)
&rst
ixpk= 1171, nxpk= 20, iat= 900, 586, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 LEU HN 36 LEU HA 4.50 (# 1172:20 Unique 2.88, 2.89 A)
&rst
ixpk= 1172, nxpk= 20, iat= 584, 586, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 ALA HN 36 LEU HA 2.80 (# 1173:20 Unique 2.14, 2.15 A)
&rst
ixpk= 1173, nxpk= 20, iat= 603, 586, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 20-2:1174 0 AMB 20-1:1174 4.50 (# 1174:20 Double Ambig)
&rst
ixpk= 1174, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 673, 674, 675, 677, 678, 679, 754, 755, 756, 758,
759, 760,
igr2= 685, 729,
&end
#
# 78 ASN HB- 78 ASN HA 3.50 (# 1175:20 Unique 2.30, 2.72 A)
&rst
ixpk= 1175, nxpk= 20, iat= -1,1192, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1194,1195,
&end
#
# 13 LEU HB- 78 ASN HA 4.50 (# 1176:20 Unique 1.85, 2.96 A)
&rst
ixpk= 1176, nxpk= 20, iat= -1,1192, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 190, 191,
&end
#
# 78 ASN HN 78 ASN HA 4.50 (# 1177:20 Unique 2.75, 2.85 A)
&rst
ixpk= 1177, nxpk= 20, iat=1190,1192, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1178 58 ALA HA 4.50 (# 1178:20 Single Ambig)
&rst
ixpk= 1178, nxpk= 20, iat= -1, 871, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1692,1693,1694,1696,1697,1698, 885, 886, 887,
&end
#
# 39 PRO HD- 58 ALA HA 4.50 (# 1179:20 Unique 1.98, 3.01 A)
&rst
ixpk= 1179, nxpk= 20, iat= -1, 871, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 628, 629,
&end
#
# 8 PRO HG- 8 PRO HD+ 4.50 (# 1182:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 121, 122,
igr2= 118, 119,
&end
#
# 18 ARG HD- 19 PRO HD+ 2.80 (# 1183:20 Unique 2.07, 4.05 A)
&rst
ixpk= 1183, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 288, 289,
igr2= 303, 304,
&end
#
# 7 GLU HG- 6 PRO HD- 4.50 (# 1184:20 Unique 4.36, 6.08 A)
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 109, 110,
igr2= 89, 90,
&end
#
# 87 LEU MDX 86 PRO HD+ 4.50 (# 1185:20 Unique 3.01, 6.53 A)
&rst
ixpk= 1185, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1344,1345,1346,1348,1349,1350,
igr2=1322,1323,
&end
#
# 87 LEU HB- 86 PRO HD+ 4.50 (# 1186:20 Unique 4.40, 6.03 A)
&rst
ixpk= 1186, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1339,1340,
igr2=1322,1323,
&end
#
# 87 LEU HB- 86 PRO HD- 4.50 (# 1187:20 Unique 4.40, 6.03 A)
&rst
ixpk= 1187, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1339,1340,
igr2=1322,1323,
&end
#
# 0 AMB 20-2:1188 86 PRO HD- 4.50 (# 1188:20 Single Ambig)
&rst
ixpk= 1188, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1342,1339,1340,
igr2=1322,1323,
&end
#
# 86 PRO HB- 86 PRO HD- 4.50 (# 1189:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1189, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1328,1329,
igr2=1322,1323,
&end
#
# 120 LEU HB+ 117 VAL HA 4.50 (# 1192:20 Unique 3.46, 4.17 A)
&rst
ixpk= 1192, nxpk= 20, iat= -1,1821, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1868,1869,
&end
#
# 76 VAL MGY 76 VAL HA 3.50 (# 1193:20 Unique 2.46, 3.51 A)
&rst
ixpk= 1193, nxpk= 20, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 14 ILE QD1 76 VAL HA 4.50 (# 1194:20 Unique 1.96, 3.15 A)
&rst
ixpk= 1194, nxpk= 20, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 218, 219, 220,
&end
#
# 76 VAL HB 76 VAL HA 4.50 (# 1195:20 Unique 2.35, 2.42 A)
&rst
ixpk= 1195, nxpk= 20, iat=1164,1162, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 ASN HN 76 VAL HA 3.50 (# 1196:20 Unique 2.14, 2.17 A)
&rst
ixpk= 1196, nxpk= 20, iat=1176,1162, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1197 76 VAL HA 4.50 (# 1197:20 Single Ambig)
&rst
ixpk= 1197, nxpk= 20, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 224,1160,
&end
#
# 0 AMB 20-2:1200 86 PRO HA 4.50 (# 1200:20 Single Ambig)
&rst
ixpk= 1200, nxpk= 20, iat= -1,1331, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1342,1339,1340,1397,1398,
&end
#
# 86 PRO HB+ 86 PRO HA 3.50 (# 1201:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1201, nxpk= 20, iat= -1,1331, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1328,1329,
&end
#
# 0 AMB 20-2:1202 86 PRO HA 4.50 (# 1202:20 Single Ambig)
&rst
ixpk= 1202, nxpk= 20, iat= -1,1331, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1325,1326,1293,1294,
&end
#
# 87 LEU HN 86 PRO HA 3.50 (# 1204:20 Unique 3.33, 3.38 A)
&rst
ixpk= 1204, nxpk= 20, iat=1335,1331, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 69 ALA HN 68 VAL HA 4.50 (# 1206:20 Unique 3.45, 3.56 A)
&rst
ixpk= 1206, nxpk= 20, iat=1060,1046, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1207 68 VAL HA 2.80 (# 1207:20 Single Ambig)
&rst
ixpk= 1207, nxpk= 20, iat= -1,1046, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
1055,1056,
&end
#
# 93 ILE HG1- 93 ILE HA 4.50 (# 1208:20 Unique 2.64, 2.96 A)
&rst
ixpk= 1208, nxpk= 20, iat= -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1441,1442,
&end
#
# 94 GLN HN 93 ILE HA 4.50 (# 1209:20 Unique 3.52, 3.55 A)
&rst
ixpk= 1209, nxpk= 20, iat=1450,1433, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 ILE HB 117 VAL HA 5.50 (# 1210:20 Unique 2.89, 3.40 A)
&rst
ixpk= 1210, nxpk= 20, iat= 436,1821, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 113 CYS HN 113 CYS HA 5.50 (# 1211:20 Unique 2.73, 2.75 A)
&rst
ixpk= 1211, nxpk= 20, iat=1756,1758, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 93 ILE QD1 10 PRO HA 4.50 (# 1212:20 Unique 3.37, 4.82 A)
&rst
ixpk= 1212, nxpk= 20, iat= -1, 163, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1444,1445,1446,
&end
#
# 0 AMB 20-2:1213 10 PRO HA 4.50 (# 1213:20 Single Ambig)
&rst
ixpk= 1213, nxpk= 20, iat= -1, 163, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 135, 136, 124, 125,
&end
#
# 11 GLY HA+ 10 PRO HA 4.50 (# 1215:20 Unique 4.40, 4.46 A)
&rst
ixpk= 1215, nxpk= 20, iat= -1, 163, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 169, 170,
&end
#
# 12 ASP HN 10 PRO HA 4.50 (# 1216:20 Unique 3.23, 3.55 A)
&rst
ixpk= 1216, nxpk= 20, iat= 174, 163, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 ILE QG2 89 CYS HA 4.50 (# 1217:20 Unique 3.96, 4.83 A)
&rst
ixpk= 1217, nxpk= 20, iat= -1,1370, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1418,1419,1420,
&end
#
# 92 ILE HG1- 89 CYS HA 5.50 (# 1218:20 Unique 2.49, 4.35 A)
&rst
ixpk= 1218, nxpk= 20, iat= -1,1370, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1422,1423,
&end
#
# 5 ILE HN 4 PRO HA 3.50 (# 1221:20 Unique 3.29, 3.41 A)
&rst
ixpk= 1221, nxpk= 20, iat= 69, 65, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1222 39 PRO HA 5.50 (# 1222:20 Single Ambig)
&rst
ixpk= 1222, nxpk= 20, iat= -1, 637, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 628, 629, 645, 646,
&end
#
# 60 VAL HB 60 VAL HA 4.50 (# 1225:20 Unique 3.01, 3.02 A)
&rst
ixpk= 1225, nxpk= 20, iat= 902, 900, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 VAL HN 60 VAL HA 4.50 (# 1226:20 Unique 2.90, 2.94 A)
&rst
ixpk= 1226, nxpk= 20, iat= 898, 900, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1228 8 PRO HA 5.50 (# 1228:20 Single Ambig)
&rst
ixpk= 1228, nxpk= 20, iat= -1, 127, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 118, 119, 178, 179,
&end
#
# 55 THR MG2 55 THR HA 3.50 (# 1229:20 Unique 2.23, 2.99 A)
&rst
ixpk= 1229, nxpk= 20, iat= -1, 823, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 827, 828, 829,
&end
#
# 0 AMB 20-2:1230 55 THR HA 5.50 (# 1230:20 Single Ambig)
&rst
ixpk= 1230, nxpk= 20, iat= -1, 823, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 806, 807, 809,
&end
#
# 93 ILE QD1 90 SER HA 4.50 (# 1231:20 Unique 2.66, 4.36 A)
&rst
ixpk= 1231, nxpk= 20, iat= -1,1381, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1444,1445,1446,
&end
#
# 93 ILE HG1+ 90 SER HA 4.50 (# 1232:20 Unique 2.98, 4.62 A)
&rst
ixpk= 1232, nxpk= 20, iat= -1,1381, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1441,1442,
&end
#
# 119 GLU HG+ 124 VAL HA 5.50 (# 1233:20 Unique 2.00, 3.36 A)
&rst
ixpk= 1233, nxpk= 20, iat= -1,1937, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1856,1857,
&end
#
# 14 ILE QG2 16 ILE HA 4.50 (# 1234:20 Unique 4.15, 5.14 A)
&rst
ixpk= 1234, nxpk= 20, iat= -1, 241, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 211, 212, 213,
&end
#
# 78 ASN HA 79 LYS HA 5.50 (# 1235:20 Unique 4.32, 4.36 A)
&rst
ixpk= 1235, nxpk= 20, iat=1192,1206, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 80 HIS HN 79 LYS HA 5.50 (# 1236:20 Unique 2.15, 2.79 A)
&rst
ixpk= 1236, nxpk= 20, iat=1226,1206, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 114 GLU HB+ 111 GLU HA 4.50 (# 1237:20 Unique 2.88, 3.72 A)
&rst
ixpk= 1237, nxpk= 20, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1771,1772,
&end
#
# 115 HIS HB+ 111 GLU HA 4.50 (# 1238:20 Unique 4.58, 5.38 A)
&rst
ixpk= 1238, nxpk= 20, iat= -1,1729, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1786,1787,
&end
#
# 125 ALA MB 115 HIS HA 5.50 (# 1241:20 Unique 2.05, 3.58 A)
&rst
ixpk= 1241, nxpk= 20, iat= -1,1784, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1955,1956,1957,
&end
#
# 116 PHE HN 115 HIS HA 4.50 (# 1242:20 Unique 3.51, 3.54 A)
&rst
ixpk= 1242, nxpk= 20, iat=1799,1784, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1243 114 GLU HA 5.50 (# 1243:20 Single Ambig)
&rst
ixpk= 1243, nxpk= 20, iat= -1,1769, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1782,1835,
&end
#
# 93 ILE QG2 94 GLN HA 4.50 (# 1244:20 Unique 3.69, 4.71 A)
&rst
ixpk= 1244, nxpk= 20, iat= -1,1452, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1437,1438,1439,
&end
#
# 53 ALA MB 52 SER HA 5.50 (# 1246:20 Unique 3.81, 4.98 A)
&rst
ixpk= 1246, nxpk= 20, iat= -1, 783, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 796, 797, 798,
&end
#
# 41 GLU HN 40 SER HA 4.50 (# 1248:20 Unique 2.17, 2.73 A)
&rst
ixpk= 1248, nxpk= 20, iat= 652, 643, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 121 ARG HG+ 121 ARG HA 4.50 (# 1249:20 Unique 2.14, 3.24 A)
&rst
ixpk= 1249, nxpk= 20, iat= -1,1885, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1890,1891,
&end
#
# 0 AMB 20-2:1250 5 ILE HA 4.50 (# 1250:20 Single Ambig)
&rst
ixpk= 1250, nxpk= 20, iat= -1, 71, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 73, 124, 125,
&end
#
# 0 AMB 20-2:1252 0 AMB 20-1:1252 4.50 (# 1252:20 Double Ambig)
&rst
ixpk= 1252, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 69, 748,
igr2= 71, 739,
&end
#
# 120 LEU MDX 95 ARG HA 5.50 (# 1253:20 Unique 4.34, 6.59 A)
&rst
ixpk= 1253, nxpk= 20, iat= -1,1469, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 100 VAL HN 98 GLU HA 5.50 (# 1254:20 Unique 3.97, 4.57 A)
&rst
ixpk= 1254, nxpk= 20, iat=1550,1518, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 109 THR MG2 109 THR HA 3.50 (# 1256:20 Unique 2.21, 2.96 A)
&rst
ixpk= 1256, nxpk= 20, iat= -1,1704, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1708,1709,1710,
&end
#
# 109 THR HN 109 THR HA 4.50 (# 1257:20 Unique 2.82, 2.92 A)
&rst
ixpk= 1257, nxpk= 20, iat=1702,1704, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 ILE HN 91 LYS HA 4.50 (# 1258:20 Unique 3.49, 3.55 A)
&rst
ixpk= 1258, nxpk= 20, iat=1412,1392, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 ASN HN 14 ILE HA 4.50 (# 1259:20 Unique 2.34, 3.02 A)
&rst
ixpk= 1259, nxpk= 20, iat=1176, 207, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1260 14 ILE HA 4.50 (# 1260:20 Single Ambig)
&rst
ixpk= 1260, nxpk= 20, iat= -1, 207, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1166,1167,1168,1170,1171,1172, 231, 232,
&end
#
# 14 ILE HN 14 ILE HA 4.50 (# 1261:20 Unique 2.90, 2.94 A)
&rst
ixpk= 1261, nxpk= 20, iat= 205, 207, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 TYR HD 33 VAL HA 5.50 (# 1262:20 Unique 4.99, 5.66 A)
&rst
ixpk= 1262, nxpk= 20, iat= -1, 537, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 459, 468,
&end
#
# 0 AMB 20-2:1263 67 ASP HA 4.50 (# 1263:20 Single Ambig)
&rst
ixpk= 1263, nxpk= 20, iat= -1,1034, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1019,1028,1070,
&end
#
# 83 LYS HE- 83 LYS HA 5.50 (# 1264:20 Unique 3.42, 5.10 A)
&rst
ixpk= 1264, nxpk= 20, iat= -1,1269, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1280,1281,
&end
#
# 105 LEU MDY 57 LYS HA 4.50 (# 1265:20 Unique 3.55, 5.57 A)
&rst
ixpk= 1265, nxpk= 20, iat= -1, 849, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1630,1631,1632,1634,1635,1636,
&end
#
# 100 VAL HN 99 LEU HA 4.50 (# 1266:20 Unique 3.33, 3.49 A)
&rst
ixpk= 1266, nxpk= 20, iat=1550,1533, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 98 GLU HN 96 ALA HA 4.50 (# 1267:20 Unique 3.78, 3.89 A)
&rst
ixpk= 1267, nxpk= 20, iat=1516,1493, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 LEU MDY 64 LEU HA 4.50 (# 1268:20 Unique 1.96, 3.81 A)
&rst
ixpk= 1268, nxpk= 20, iat= -1, 975, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 982, 983, 984, 986, 987, 988,
&end
#
# 17 PHE HD 74 TYR HA 4.50 (# 1269:20 Unique 2.56, 5.01 A)
&rst
ixpk= 1269, nxpk= 20, iat= -1,1124, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 266, 274,
&end
#
# 74 TYR HN 74 TYR HA 4.50 (# 1270:20 Unique 2.87, 2.92 A)
&rst
ixpk= 1270, nxpk= 20, iat=1122,1124, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 113 CYS HB+ 23 HIS HA 4.50 (# 1271:20 Unique 3.80, 4.35 A)
&rst
ixpk= 1271, nxpk= 20, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1760,1761,
&end
#
# 21 TYR HE 23 HIS HA 4.50 (# 1272:20 Unique 5.02, 7.73 A)
&rst
ixpk= 1272, nxpk= 20, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 346, 351,
&end
#
# 24 TRP HD1 23 HIS HA 4.50 (# 1273:20 Unique 4.19, 4.56 A)
&rst
ixpk= 1273, nxpk= 20, iat= 406, 383, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1274 35 HIS HA 3.50 (# 1274:20 Single Ambig)
&rst
ixpk= 1274, nxpk= 20, iat= -1, 569, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1825,1826,1827,1829,1830,1831, 426, 427, 428,
&end
#
# 0 AMB 20-2:1275 35 HIS HA 4.50 (# 1275:20 Single Ambig)
&rst
ixpk= 1275, nxpk= 20, iat= -1, 569, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 438, 439, 440, 588, 589,
&end
#
# 35 HIS HB+ 35 HIS HA 2.80 (# 1276:20 Unique 2.36, 2.45 A)
&rst
ixpk= 1276, nxpk= 20, iat= -1, 569, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 571, 572,
&end
#
# 116 PHE HE 35 HIS HA 3.50 (# 1278:20 Unique 1.96, 4.64 A)
&rst
ixpk= 1278, nxpk= 20, iat= -1, 569, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1809,1813,
&end
#
# 36 LEU HN 35 HIS HA 3.50 (# 1279:20 Unique 2.30, 2.44 A)
&rst
ixpk= 1279, nxpk= 20, iat= 584, 569, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 HIS HN 35 HIS HA 4.50 (# 1280:20 Unique 2.85, 2.90 A)
&rst
ixpk= 1280, nxpk= 20, iat= 567, 569, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 82 ASP HN 80 HIS HA 4.50 (# 1281:20 Unique 2.90, 2.93 A)
&rst
ixpk= 1281, nxpk= 20, iat=1255,1228, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 HIS HB- 80 HIS HA 3.50 (# 1282:20 Unique 2.38, 2.74 A)
&rst
ixpk= 1282, nxpk= 20, iat= -1,1228, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1230,1231,
&end
#
# 80 HIS HB+ 80 HIS HA 3.50 (# 1283:20 Unique 2.38, 2.74 A)
&rst
ixpk= 1283, nxpk= 20, iat= -1,1228, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1230,1231,
&end
#
# 82 ASP HB+ 82 ASP HA 2.80 (# 1284:20 Unique 2.41, 2.82 A)
&rst
ixpk= 1284, nxpk= 20, iat= -1,1257, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1259,1260,
&end
#
# 36 LEU MDY 36 LEU HA 4.50 (# 1286:20 Unique 1.94, 3.15 A)
&rst
ixpk= 1286, nxpk= 20, iat= -1, 586, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 593, 594, 595, 597, 598, 599,
&end
#
# 75 GLN HB- 75 GLN HA 2.80 (# 1287:20 Unique 2.31, 2.45 A)
&rst
ixpk= 1287, nxpk= 20, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1147,1148,
&end
#
# 15 GLU HG- 75 GLN HA 4.50 (# 1288:20 Unique 1.99, 7.77 A)
&rst
ixpk= 1288, nxpk= 20, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 231, 232,
&end
#
# 76 VAL HN 75 GLN HA 2.80 (# 1290:20 Unique 2.34, 2.43 A)
&rst
ixpk= 1290, nxpk= 20, iat=1160,1145, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 75 GLN HN 75 GLN HA 3.50 (# 1291:20 Unique 2.87, 2.88 A)
&rst
ixpk= 1291, nxpk= 20, iat=1143,1145, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1292 0 AMB 20-1:1292 4.50 (# 1292:20 Double Ambig)
&rst
ixpk= 1292, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 710, 683,
igr2= 702, 685,
&end
#
# 13 LEU MDX 78 ASN HA 4.50 (# 1293:20 Unique 1.95, 4.93 A)
&rst
ixpk= 1293, nxpk= 20, iat= -1,1192, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 195, 196, 197, 199, 200, 201,
&end
#
# 78 ASN HD2+ 78 ASN HA 5.50 (# 1294:20 Unique 2.20, 3.46 A)
&rst
ixpk= 1294, nxpk= 20, iat= -1,1192, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1199,1200,
&end
#
# 13 LEU HN 78 ASN HA 5.50 (# 1296:20 Unique 2.75, 3.48 A)
&rst
ixpk= 1296, nxpk= 20, iat= 186,1192, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 108 LEU MDX 38 PRO HD+ 4.50 (# 1298:20 Unique 2.08, 4.52 A)
&rst
ixpk= 1298, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1692,1693,1694,1696,1697,1698,
igr2= 614, 615,
&end
#
# 108 LEU MDX 38 PRO HD- 4.50 (# 1299:20 Unique 2.08, 4.52 A)
&rst
ixpk= 1299, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1692,1693,1694,1696,1697,1698,
igr2= 614, 615,
&end
#
# 0 AMB 20-2:1300 19 PRO HD- 4.50 (# 1300:20 Single Ambig)
&rst
ixpk= 1300, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 309, 310,1110,1111,
igr2= 303, 304,
&end
#
# 87 LEU MDX 86 PRO HD- 4.50 (# 1301:20 Unique 3.01, 6.53 A)
&rst
ixpk= 1301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1344,1345,1346,1348,1349,1350,
igr2=1322,1323,
&end
#
# 102 GLN HN 101 GLY HA+ 4.50 (# 1303:20 Unique 2.91, 3.27 A)
&rst
ixpk= 1303, nxpk= 20, iat=1573, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1568,1569,
&end
#
# 102 GLN HN 101 GLY HA- 4.50 (# 1304:20 Unique 2.91, 3.27 A)
&rst
ixpk= 1304, nxpk= 20, iat=1573, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1568,1569,
&end
#
# 100 VAL MGY 101 GLY HA+ 5.50 (# 1305:20 Unique 3.12, 4.93 A)
&rst
ixpk= 1305, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1556,1557,1558,1560,1561,1562,
igr2=1568,1569,
&end
#
# 0 AMB 20-2:1306 101 GLY HA- 4.50 (# 1306:20 Single Ambig)
&rst
ixpk= 1306, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 892, 893, 894, 904, 905, 906, 908, 909, 910,
igr2=1568,1569,
&end
#
# 100 VAL MGY 101 GLY HA- 4.50 (# 1307:20 Unique 3.12, 4.93 A)
&rst
ixpk= 1307, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1556,1557,1558,1560,1561,1562,
igr2=1568,1569,
&end
#
# 100 VAL HA 101 GLY HA- 5.50 (# 1308:20 Unique 4.42, 4.49 A)
&rst
ixpk= 1308, nxpk= 20, iat=1552, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1568,1569,
&end
#
# 87 LEU MDY 123 GLY HA+ 3.50 (# 1309:20 Unique 2.01, 4.73 A)
&rst
ixpk= 1309, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1344,1345,1346,1348,1349,1350,
igr2=1930,1931,
&end
#
# 87 LEU MDX 123 GLY HA+ 4.50 (# 1310:20 Unique 2.01, 4.73 A)
&rst
ixpk= 1310, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1344,1345,1346,1348,1349,1350,
igr2=1930,1931,
&end
#
# 0 AMB 20-2:1311 0 AMB 20-1:1311 4.50 (# 1311:20 Double Ambig)
&rst
ixpk= 1311, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 687, 688, 689, 731, 732, 733,
igr2= 695, 696, 712, 713,
&end
#
# 64 LEU MDX 31 GLY HA- 4.50 (# 1313:20 Unique 1.99, 5.92 A)
&rst
ixpk= 1313, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 982, 983, 984, 986, 987, 988,
igr2= 509, 510,
&end
#
# 92 ILE QD1 11 GLY HA+ 4.50 (# 1314:20 Unique 1.98, 3.85 A)
&rst
ixpk= 1314, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1425,1426,1427,
igr2= 169, 170,
&end
#
# 92 ILE QD1 11 GLY HA- 3.50 (# 1315:20 Unique 1.98, 3.85 A)
&rst
ixpk= 1315, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1425,1426,1427,
igr2= 169, 170,
&end
#
# 11 GLY HN 11 GLY HA- 3.50 (# 1316:20 Unique 2.29, 2.58 A)
&rst
ixpk= 1316, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 169, 170,
&end
#
# 11 GLY HN 11 GLY HA+ 3.50 (# 1317:20 Unique 2.29, 2.58 A)
&rst
ixpk= 1317, nxpk= 20, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 169, 170,
&end
#
# 99 LEU HA 99 LEU HB+ 4.50 (# 1318:20 Unique 2.38, 2.72 A)
&rst
ixpk= 1318, nxpk= 20, iat=1533, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1535,1536,
&end
#
# 99 LEU HA 99 LEU HB- 4.50 (# 1319:20 Unique 2.38, 2.72 A)
&rst
ixpk= 1319, nxpk= 20, iat=1533, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1535,1536,
&end
#
# 99 LEU HN 99 LEU HB+ 4.50 (# 1320:20 Unique 2.46, 3.10 A)
&rst
ixpk= 1320, nxpk= 20, iat=1531, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1535,1536,
&end
#
# 99 LEU HN 99 LEU HB- 3.50 (# 1321:20 Unique 2.46, 3.10 A)
&rst
ixpk= 1321, nxpk= 20, iat=1531, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1535,1536,
&end
#
# 23 HIS HA 22 ARG HD+ 4.50 (# 1322:20 Unique 3.28, 4.11 A)
&rst
ixpk= 1322, nxpk= 20, iat= 383, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 367, 368,
&end
#
# 23 HIS HA 22 ARG HD- 3.50 (# 1325:20 Unique 3.28, 4.11 A)
&rst
ixpk= 1325, nxpk= 20, iat= 383, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 367, 368,
&end
#
# 18 ARG HB+ 18 ARG HD+ 4.50 (# 1328:20 Unique 2.02, 2.89 A)
&rst
ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 282, 283,
igr2= 288, 289,
&end
#
# 18 ARG HG- 18 ARG HD- 4.50 (# 1330:20 Unique 2.22, 2.70 A)
&rst
ixpk= 1330, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 285, 286,
igr2= 288, 289,
&end
#
# 18 ARG HB+ 18 ARG HD- 4.50 (# 1332:20 Unique 2.02, 2.89 A)
&rst
ixpk= 1332, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 282, 283,
igr2= 288, 289,
&end
#
# 87 LEU MDY 95 ARG HD+ 5.50 (# 1333:20 Unique 2.70, 5.50 A)
&rst
ixpk= 1333, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1344,1345,1346,1348,1349,1350,
igr2=1477,1478,
&end
#
# 87 LEU MDY 95 ARG HD- 5.50 (# 1334:20 Unique 2.70, 5.50 A)
&rst
ixpk= 1334, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1344,1345,1346,1348,1349,1350,
igr2=1477,1478,
&end
#
# 95 ARG HB+ 95 ARG HD+ 4.50 (# 1335:20 Unique 2.00, 3.15 A)
&rst
ixpk= 1335, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1471,1472,
igr2=1477,1478,
&end
#
# 95 ARG HB+ 95 ARG HD- 4.50 (# 1336:20 Unique 2.00, 3.15 A)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1471,1472,
igr2=1477,1478,
&end
#
# 95 ARG HA 95 ARG HD- 4.50 (# 1337:20 Unique 2.15, 3.32 A)
&rst
ixpk= 1337, nxpk= 20, iat=1469, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1477,1478,
&end
#
# 36 LEU MDX 36 LEU HB- 4.50 (# 1340:20 Unique 2.03, 3.45 A)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 593, 594, 595, 597, 598, 599,
igr2= 588, 589,
&end
#
# 36 LEU HA 36 LEU HB- 4.50 (# 1341:20 Unique 2.67, 2.84 A)
&rst
ixpk= 1341, nxpk= 20, iat= 586, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 588, 589,
&end
#
# 36 LEU HN 36 LEU HB+ 4.50 (# 1342:20 Unique 2.10, 2.66 A)
&rst
ixpk= 1342, nxpk= 20, iat= 584, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 588, 589,
&end
#
# 117 VAL HA 26 ILE HB 4.50 (# 1343:20 Unique 2.89, 3.40 A)
&rst
ixpk= 1343, nxpk= 20, iat=1821, 436, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 26 ILE HN 26 ILE HB 4.50 (# 1344:20 Unique 2.62, 3.02 A)
&rst
ixpk= 1344, nxpk= 20, iat= 432, 436, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 27 TYR HN 26 ILE HB 4.50 (# 1345:20 Unique 4.18, 4.25 A)
&rst
ixpk= 1345, nxpk= 20, iat= 451, 436, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 12 ASP HN 12 ASP HB- 3.50 (# 1346:20 Unique 2.33, 3.10 A)
&rst
ixpk= 1346, nxpk= 20, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 178, 179,
&end
#
# 13 LEU HN 12 ASP HB- 5.50 (# 1347:20 Unique 2.06, 3.46 A)
&rst
ixpk= 1347, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 178, 179,
&end
#
# 12 ASP HA 12 ASP HB- 4.50 (# 1348:20 Unique 2.32, 2.74 A)
&rst
ixpk= 1348, nxpk= 20, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 178, 179,
&end
#
# 16 ILE HA 74 TYR HB+ 3.50 (# 1350:20 Unique 1.89, 2.40 A)
&rst
ixpk= 1350, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1126,1127,
&end
#
# 74 TYR HA 74 TYR HB+ 3.50 (# 1351:20 Unique 2.32, 2.46 A)
&rst
ixpk= 1351, nxpk= 20, iat=1124, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1126,1127,
&end
#
# 74 TYR HD 74 TYR HB+ 3.50 (# 1352:20 Unique 2.34, 3.05 A)
&rst
ixpk= 1352, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1130,1139,
igr2=1126,1127,
&end
#
# 75 GLN HN 74 TYR HB+ 4.50 (# 1354:20 Unique 2.07, 3.04 A)
&rst
ixpk= 1354, nxpk= 20, iat=1143, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1126,1127,
&end
#
# 109 THR MG2 107 LYS HE+ 4.50 (# 1355:20 Unique 2.09, 5.44 A)
&rst
ixpk= 1355, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1708,1709,1710,
igr2=1674,1675,
&end
#
# 90 SER HB+ 91 LYS HE+ 4.50 (# 1356:20 Unique 3.32, 5.33 A)
&rst
ixpk= 1356, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1383,1384,
igr2=1403,1404,
&end
#
# 91 LYS HA 91 LYS HE+ 4.50 (# 1357:20 Unique 2.02, 3.33 A)
&rst
ixpk= 1357, nxpk= 20, iat=1392, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1403,1404,
&end
#
# 37 ALA MB 61 LYS HE- 3.50 (# 1359:20 Unique 3.21, 4.79 A)
&rst
ixpk= 1359, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 607, 608, 609,
igr2= 927, 928,
&end
#
# 61 LYS HG- 61 LYS HE- 3.50 (# 1360:20 Unique 2.19, 3.22 A)
&rst
ixpk= 1360, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 921, 922,
igr2= 927, 928,
&end
#
# 120 LEU MDY 120 LEU HB- 3.50 (# 1361:20 Unique 2.26, 3.28 A)
&rst
ixpk= 1361, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1873,1874,1875,1877,1878,1879,
igr2=1868,1869,
&end
#
# 120 LEU MDX 120 LEU HB- 4.50 (# 1362:20 Unique 2.26, 3.28 A)
&rst
ixpk= 1362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1873,1874,1875,1877,1878,1879,
igr2=1868,1869,
&end
#
# 26 ILE QD1 120 LEU HB- 4.50 (# 1363:20 Unique 1.97, 3.24 A)
&rst
ixpk= 1363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 445, 446, 447,
igr2=1868,1869,
&end
#
# 0 AMB 20-2:1364 120 LEU HB- 4.50 (# 1364:20 Single Ambig)
&rst
ixpk= 1364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1871,1825,1826,1827,1829,1830,1831,1495,1496,1497,
igr2=1868,1869,
&end
#
# 0 AMB 20-2:1365 120 LEU HB- 3.50 (# 1365:20 Single Ambig)
&rst
ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1866,1493,
igr2=1868,1869,
&end
#
# 120 LEU HN 120 LEU HB- 4.50 (# 1366:20 Unique 2.81, 3.25 A)
&rst
ixpk= 1366, nxpk= 20, iat=1864, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1868,1869,
&end
#
# 121 ARG HN 120 LEU HB- 5.50 (# 1367:20 Unique 2.34, 3.26 A)
&rst
ixpk= 1367, nxpk= 20, iat=1883, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1868,1869,
&end
#
# 120 LEU MDY 120 LEU HB+ 3.50 (# 1369:20 Unique 2.26, 3.28 A)
&rst
ixpk= 1369, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1873,1874,1875,1877,1878,1879,
igr2=1868,1869,
&end
#
# 120 LEU MDX 120 LEU HB+ 4.50 (# 1370:20 Unique 2.26, 3.28 A)
&rst
ixpk= 1370, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1873,1874,1875,1877,1878,1879,
igr2=1868,1869,
&end
#
# 0 AMB 20-2:1371 0 AMB 20-1:1371 3.50 (# 1371:20 Double Ambig)
&rst
ixpk= 1371, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 445, 446, 447,1418,1419,1420,
igr2=1868,1869,1868,1869,
&end
#
# 0 AMB 20-2:1372 0 AMB 20-1:1372 4.50 (# 1372:20 Double Ambig)
&rst
ixpk= 1372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1871,1825,1826,1827,1829,1830,1831,1495,1496,1497,
igr2=1868,1869,1868,1869,1868,1869,
&end
#
# 120 LEU HA 120 LEU HB+ 3.50 (# 1373:20 Unique 2.27, 2.62 A)
&rst
ixpk= 1373, nxpk= 20, iat=1866, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1868,1869,
&end
#
# 120 LEU HN 120 LEU HB+ 4.50 (# 1374:20 Unique 2.81, 3.25 A)
&rst
ixpk= 1374, nxpk= 20, iat=1864, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1868,1869,
&end
#
# 16 ILE QG2 74 TYR HB+ 3.50 (# 1375:20 Unique 1.98, 4.23 A)
&rst
ixpk= 1375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 245, 246, 247,
igr2=1126,1127,
&end
#
# 72 ASP HN 72 ASP HB- 4.50 (# 1376:20 Unique 2.17, 3.21 A)
&rst
ixpk= 1376, nxpk= 20, iat=1088, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1092,1093,
&end
#
# 73 LYS HN 72 ASP HB- 4.50 (# 1377:20 Unique 1.92, 2.91 A)
&rst
ixpk= 1377, nxpk= 20, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1092,1093,
&end
#
# 32 TYR HN 32 TYR HB- 4.50 (# 1378:20 Unique 2.31, 3.05 A)
&rst
ixpk= 1378, nxpk= 20, iat= 514, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 518, 519,
&end
#
# 32 TYR HD 32 TYR HB- 4.50 (# 1379:20 Unique 2.30, 3.07 A)
&rst
ixpk= 1379, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 522, 531,
igr2= 518, 519,
&end
#
# 28 VAL MGY 32 TYR HB+ 4.50 (# 1380:20 Unique 2.16, 4.36 A)
&rst
ixpk= 1380, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 478, 479, 480, 482, 483, 484,
igr2= 518, 519,
&end
#
# 32 TYR HA 32 TYR HB+ 4.50 (# 1381:20 Unique 2.27, 2.77 A)
&rst
ixpk= 1381, nxpk= 20, iat= 516, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 518, 519,
&end
#
# 32 TYR HD 32 TYR HB+ 3.50 (# 1382:20 Unique 2.30, 3.07 A)
&rst
ixpk= 1382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 522, 531,
igr2= 518, 519,
&end
#
# 32 TYR HN 32 TYR HB+ 4.50 (# 1383:20 Unique 2.31, 3.05 A)
&rst
ixpk= 1383, nxpk= 20, iat= 514, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 518, 519,
&end
#
# 33 VAL HN 32 TYR HB+ 4.50 (# 1384:20 Unique 1.80, 3.48 A)
&rst
ixpk= 1384, nxpk= 20, iat= 535, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 518, 519,
&end
#
# 13 LEU HG 13 LEU HB+ 3.50 (# 1385:20 Unique 2.25, 2.58 A)
&rst
ixpk= 1385, nxpk= 20, iat= 193, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 190, 191,
&end
#
# 62 LYS HG- 62 LYS HE+ 4.50 (# 1386:20 Unique 2.00, 3.10 A)
&rst
ixpk= 1386, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 943, 944,
igr2= 949, 950,
&end
#
# 62 LYS HG+ 62 LYS HE+ 5.50 (# 1387:20 Unique 2.00, 3.10 A)
&rst
ixpk= 1387, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 943, 944,
igr2= 949, 950,
&end
#
# 28 VAL MGY 62 LYS HE- 4.50 (# 1388:20 Unique 2.06, 4.80 A)
&rst
ixpk= 1388, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 478, 479, 480, 482, 483, 484,
igr2= 949, 950,
&end
#
# 62 LYS HG- 62 LYS HE- 4.50 (# 1389:20 Unique 2.00, 3.10 A)
&rst
ixpk= 1389, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 943, 944,
igr2= 949, 950,
&end
#
# 62 LYS HG+ 62 LYS HE- 4.50 (# 1390:20 Unique 2.00, 3.10 A)
&rst
ixpk= 1390, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 943, 944,
igr2= 949, 950,
&end
#
# 32 TYR HD 62 LYS HE- 4.50 (# 1393:20 Unique 2.57, 4.33 A)
&rst
ixpk= 1393, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 522, 531,
igr2= 949, 950,
&end
#
# 39 PRO HA 59 ILE HB 4.50 (# 1394:20 Unique 2.86, 4.45 A)
&rst
ixpk= 1394, nxpk= 20, iat= 637, 883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 ALA HA 59 ILE HB 5.50 (# 1395:20 Unique 3.97, 5.46 A)
&rst
ixpk= 1395, nxpk= 20, iat= 871, 883, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 LEU HA 13 LEU HB- 4.50 (# 1396:20 Unique 2.45, 2.79 A)
&rst
ixpk= 1396, nxpk= 20, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 190, 191,
&end
#
# 24 TRP HZ3 13 LEU HB- 4.50 (# 1397:20 Unique 1.98, 2.65 A)
&rst
ixpk= 1397, nxpk= 20, iat= 415, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 190, 191,
&end
#
# 84 TYR HD 84 TYR HB- 4.50 (# 1398:20 Unique 2.31, 3.07 A)
&rst
ixpk= 1398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1297,1306,
igr2=1293,1294,
&end
#
# 85 SER HN 84 TYR HB- 4.50 (# 1399:20 Unique 1.83, 2.85 A)
&rst
ixpk= 1399, nxpk= 20, iat=1310, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1293,1294,
&end
#
# 83 LYS HB+ 83 LYS HE+ 3.50 (# 1400:20 Unique 2.14, 3.76 A)
&rst
ixpk= 1400, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1271,1272,
igr2=1280,1281,
&end
#
# 84 TYR HA 84 TYR HB+ 4.50 (# 1403:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1403, nxpk= 20, iat=1291, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1293,1294,
&end
#
# 84 TYR HD 84 TYR HB+ 3.50 (# 1404:20 Unique 2.31, 3.07 A)
&rst
ixpk= 1404, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1297,1306,
igr2=1293,1294,
&end
#
# 64 LEU MDX 64 LEU HB+ 4.50 (# 1405:20 Unique 2.03, 3.28 A)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 982, 983, 984, 986, 987, 988,
igr2= 977, 978,
&end
#
# 0 AMB 20-2:1406 0 AMB 20-1:1406 5.50 (# 1406:20 Double Ambig)
&rst
ixpk= 1406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1036,1037,1036,1037,
igr2= 977, 978, 977, 978,
&end
#
# 67 ASP HN 64 LEU HB+ 4.50 (# 1407:20 Unique 2.55, 3.23 A)
&rst
ixpk= 1407, nxpk= 20, iat=1032, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 977, 978,
&end
#
# 64 LEU HN 64 LEU HB+ 4.50 (# 1408:20 Unique 2.04, 2.86 A)
&rst
ixpk= 1408, nxpk= 20, iat= 973, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 977, 978,
&end
#
# 64 LEU MDX 64 LEU HB- 4.50 (# 1409:20 Unique 2.03, 3.28 A)
&rst
ixpk= 1409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 982, 983, 984, 986, 987, 988,
igr2= 977, 978,
&end
#
# 87 LEU MDY 87 LEU HB- 4.50 (# 1410:20 Unique 2.27, 3.27 A)
&rst
ixpk= 1410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1344,1345,1346,1348,1349,1350,
igr2=1339,1340,
&end
#
# 0 AMB 20-2:1411 87 LEU HB- 4.50 (# 1411:20 Single Ambig)
&rst
ixpk= 1411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1414,1322,1323,
igr2=1339,1340,
&end
#
# 87 LEU HA 87 LEU HB- 4.50 (# 1412:20 Unique 2.27, 2.72 A)
&rst
ixpk= 1412, nxpk= 20, iat=1337, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1339,1340,
&end
#
# 65 LEU HN 65 LEU HB+ 4.50 (# 1413:20 Unique 2.06, 2.59 A)
&rst
ixpk= 1413, nxpk= 20, iat= 992, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 996, 997,
&end
#
# 65 LEU MDY 65 LEU HB- 3.50 (# 1414:20 Unique 2.05, 3.27 A)
&rst
ixpk= 1414, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1001,1002,1003,1005,1006,1007,
igr2= 996, 997,
&end
#
# 0 AMB 20-2:1415 0 AMB 20-1:1415 4.50 (# 1415:20 Double Ambig)
&rst
ixpk= 1415, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 994, 614, 615,
igr2= 996, 997,1687,1688,
&end
#
# 108 LEU HN 108 LEU HB- 4.50 (# 1416:20 Unique 2.10, 2.98 A)
&rst
ixpk= 1416, nxpk= 20, iat=1683, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1687,1688,
&end
#
# 65 LEU HN 65 LEU HB- 4.50 (# 1417:20 Unique 2.06, 2.59 A)
&rst
ixpk= 1417, nxpk= 20, iat= 992, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 996, 997,
&end
#
# 66 TYR HN 65 LEU HB- 4.50 (# 1418:20 Unique 2.49, 3.22 A)
&rst
ixpk= 1418, nxpk= 20, iat=1011, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 996, 997,
&end
#
# 91 LYS HB+ 87 LEU HB- 4.50 (# 1419:20 Unique 1.93, 2.96 A)
&rst
ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1394,1395,
igr2=1339,1340,
&end
#
# 64 LEU HN 64 LEU HB- 4.50 (# 1420:20 Unique 2.04, 2.86 A)
&rst
ixpk= 1420, nxpk= 20, iat= 973, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 977, 978,
&end
#
# 65 LEU MDX 65 LEU HB- 4.50 (# 1421:20 Unique 2.05, 3.27 A)
&rst
ixpk= 1421, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1001,1002,1003,1005,1006,1007,
igr2= 996, 997,
&end
#
# 107 LYS HN 106 TYR HB- 4.50 (# 1422:20 Unique 2.08, 3.27 A)
&rst
ixpk= 1422, nxpk= 20, iat=1661, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1644,1645,
&end
#
# 0 AMB 20-2:1423 0 AMB 20-1:1423 3.50 (# 1423:20 Double Ambig)
&rst
ixpk= 1423, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 507,1661,
igr2= 499, 500,1644,1645,
&end
#
# 106 TYR HN 106 TYR HB- 4.50 (# 1424:20 Unique 2.17, 3.32 A)
&rst
ixpk= 1424, nxpk= 20, iat=1640, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1644,1645,
&end
#
# 122 TYR HA 122 TYR HB- 4.50 (# 1425:20 Unique 2.23, 2.71 A)
&rst
ixpk= 1425, nxpk= 20, iat=1909, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1911,1912,
&end
#
# 0 AMB 20-2:1426 0 AMB 20-1:1426 3.50 (# 1426:20 Double Ambig)
&rst
ixpk= 1426, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1928,1243,
igr2=1911,1912,1247,1248,
&end
#
# 0 AMB 20-2:1427 0 AMB 20-1:1427 3.50 (# 1427:20 Double Ambig)
&rst
ixpk= 1427, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1751,1752,1640,
igr2=1644,1645,1644,1645,
&end
#
# 104 VAL MGY 106 TYR HB+ 5.50 (# 1428:20 Unique 1.97, 6.15 A)
&rst
ixpk= 1428, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1611,1612,1613,1615,1616,1617,
igr2=1644,1645,
&end
#
# 36 LEU HG 116 PHE HB- 4.50 (# 1430:20 Unique 2.63, 3.37 A)
&rst
ixpk= 1430, nxpk= 20, iat= 591, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1803,1804,
&end
#
# 0 AMB 20-2:1431 0 AMB 20-1:1431 4.50 (# 1431:20 Double Ambig)
&rst
ixpk= 1431, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.84, r4= 8.59,
igr1= 478, 479, 480, 482, 483, 484, 591,
igr2= 499, 500,1803,1804,
&end
#
# 116 PHE HA 116 PHE HB- 3.50 (# 1432:20 Unique 2.24, 2.64 A)
&rst
ixpk= 1432, nxpk= 20, iat=1801, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1803,1804,
&end
#
# 116 PHE HN 116 PHE HB- 4.50 (# 1433:20 Unique 2.08, 2.57 A)
&rst
ixpk= 1433, nxpk= 20, iat=1799, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1803,1804,
&end
#
# 116 PHE HN 116 PHE HB+ 4.50 (# 1434:20 Unique 2.08, 2.57 A)
&rst
ixpk= 1434, nxpk= 20, iat=1799, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1803,1804,
&end
#
# 116 PHE HD 116 PHE HB+ 4.50 (# 1435:20 Unique 2.28, 3.04 A)
&rst
ixpk= 1435, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1807,1815,
igr2=1803,1804,
&end
#
# 21 TYR HD 21 TYR HB+ 4.50 (# 1436:20 Unique 2.30, 3.06 A)
&rst
ixpk= 1436, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 344, 353,
igr2= 340, 341,
&end
#
# 117 VAL HN 116 PHE HB+ 4.50 (# 1437:20 Unique 2.36, 3.19 A)
&rst
ixpk= 1437, nxpk= 20, iat=1819, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1803,1804,
&end
#
# 0 AMB 20-2:1438 63 GLU HG- 5.50 (# 1438:20 Single Ambig)
&rst
ixpk= 1438, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
1055,1056,
igr2= 965, 966,
&end
#
# 0 AMB 20-2:1439 0 AMB 20-1:1439 4.50 (# 1439:20 Double Ambig)
&rst
ixpk= 1439, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
1055,1056,
igr2= 965, 966, 965, 966,
&end
#
# 63 GLU HA 63 GLU HG+ 4.50 (# 1440:20 Unique 2.24, 2.74 A)
&rst
ixpk= 1440, nxpk= 20, iat= 960, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 965, 966,
&end
#
# 14 ILE QD1 27 TYR HB+ 4.50 (# 1441:20 Unique 1.90, 3.56 A)
&rst
ixpk= 1441, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 218, 219, 220,
igr2= 455, 456,
&end
#
# 0 AMB 20-2:1442 0 AMB 20-1:1442 4.50 (# 1442:20 Double Ambig)
&rst
ixpk= 1442, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 228, 229, 215, 216,
igr2=1180,1181, 455, 456,
&end
#
# 27 TYR HN 27 TYR HB+ 4.50 (# 1444:20 Unique 2.25, 2.63 A)
&rst
ixpk= 1444, nxpk= 20, iat= 451, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 455, 456,
&end
#
# 77 ASN HD2- 77 ASN HB- 4.50 (# 1445:20 Unique 2.12, 3.21 A)
&rst
ixpk= 1445, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1185,1186,
igr2=1180,1181,
&end
#
# 24 TRP HH2 77 ASN HB+ 5.50 (# 1447:20 Unique 2.01, 4.35 A)
&rst
ixpk= 1447, nxpk= 20, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1180,1181,
&end
#
# 77 ASN HD2+ 77 ASN HB+ 4.50 (# 1448:20 Unique 2.12, 3.21 A)
&rst
ixpk= 1448, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1185,1186,
igr2=1180,1181,
&end
#
# 77 ASN HD2- 77 ASN HB+ 4.50 (# 1449:20 Unique 2.12, 3.21 A)
&rst
ixpk= 1449, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1185,1186,
igr2=1180,1181,
&end
#
# 14 ILE QD1 27 TYR HB- 4.50 (# 1450:20 Unique 1.90, 3.56 A)
&rst
ixpk= 1450, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 218, 219, 220,
igr2= 455, 456,
&end
#
# 33 VAL MGX 27 TYR HB- 4.50 (# 1451:20 Unique 3.12, 5.84 A)
&rst
ixpk= 1451, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 541, 542, 543, 545, 546, 547,
igr2= 455, 456,
&end
#
# 115 HIS HA 118 ASN HB+ 4.50 (# 1452:20 Unique 2.37, 3.19 A)
&rst
ixpk= 1452, nxpk= 20, iat=1784, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1839,1840,
&end
#
# 118 ASN HA 118 ASN HB+ 4.50 (# 1453:20 Unique 2.56, 2.84 A)
&rst
ixpk= 1453, nxpk= 20, iat=1837, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1839,1840,
&end
#
# 27 TYR HA 27 TYR HB- 4.50 (# 1454:20 Unique 2.57, 2.80 A)
&rst
ixpk= 1454, nxpk= 20, iat= 453, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 455, 456,
&end
#
# 27 TYR HD 27 TYR HB- 3.50 (# 1455:20 Unique 2.30, 3.05 A)
&rst
ixpk= 1455, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 459, 468,
igr2= 455, 456,
&end
#
# 119 GLU HN 118 ASN HB+ 4.50 (# 1456:20 Unique 2.73, 3.17 A)
&rst
ixpk= 1456, nxpk= 20, iat=1849, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1839,1840,
&end
#
# 118 ASN HN 118 ASN HB+ 4.50 (# 1457:20 Unique 2.08, 2.78 A)
&rst
ixpk= 1457, nxpk= 20, iat=1835, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1839,1840,
&end
#
# 27 TYR HN 27 TYR HB- 3.50 (# 1458:20 Unique 2.25, 2.63 A)
&rst
ixpk= 1458, nxpk= 20, iat= 451, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 455, 456,
&end
#
# 5 ILE HG1+ 5 ILE HB 4.50 (# 1459:20 Unique 2.43, 2.77 A)
&rst
ixpk= 1459, nxpk= 20, iat= -1, 73, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 79, 80,
&end
#
# 14 ILE HA 14 ILE HB 4.50 (# 1460:20 Unique 3.01, 3.02 A)
&rst
ixpk= 1460, nxpk= 20, iat= 207, 209, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 ILE HA 92 ILE HB 4.50 (# 1461:20 Unique 3.00, 3.01 A)
&rst
ixpk= 1461, nxpk= 20, iat=1414,1416, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 ILE HN 92 ILE HB 3.50 (# 1462:20 Unique 2.33, 2.50 A)
&rst
ixpk= 1462, nxpk= 20, iat=1412,1416, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ILE HN 92 ILE HB 3.50 (# 1463:20 Unique 2.09, 2.38 A)
&rst
ixpk= 1463, nxpk= 20, iat=1431,1416, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 25 ALA HN 14 ILE HB 4.50 (# 1464:20 Unique 2.95, 3.32 A)
&rst
ixpk= 1464, nxpk= 20, iat= 422, 209, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 LEU HB- 66 TYR HB- 5.50 (# 1465:20 Unique 2.47, 4.39 A)
&rst
ixpk= 1465, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 977, 978,
igr2=1015,1016,
&end
#
# 64 LEU HB+ 66 TYR HB- 5.50 (# 1466:20 Unique 2.47, 4.39 A)
&rst
ixpk= 1466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 977, 978,
igr2=1015,1016,
&end
#
# 64 LEU HB- 66 TYR HB+ 4.50 (# 1468:20 Unique 2.47, 4.39 A)
&rst
ixpk= 1468, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 977, 978,
igr2=1015,1016,
&end
#
# 67 ASP HN 66 TYR HB- 4.50 (# 1469:20 Unique 2.34, 3.36 A)
&rst
ixpk= 1469, nxpk= 20, iat=1032, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1015,1016,
&end
#
# 66 TYR HD 66 TYR HB- 3.50 (# 1470:20 Unique 2.30, 3.05 A)
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1019,1028,
igr2=1015,1016,
&end
#
# 67 ASP HN 66 TYR HB+ 3.50 (# 1471:20 Unique 2.34, 3.36 A)
&rst
ixpk= 1471, nxpk= 20, iat=1032, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1015,1016,
&end
#
# 66 TYR HD 66 TYR HB+ 3.50 (# 1472:20 Unique 2.30, 3.05 A)
&rst
ixpk= 1472, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1019,1028,
igr2=1015,1016,
&end
#
# 112 ASN HA 112 ASN HB+ 4.50 (# 1473:20 Unique 2.49, 2.81 A)
&rst
ixpk= 1473, nxpk= 20, iat=1744, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1746,1747,
&end
#
# 112 ASN HA 112 ASN HB- 4.50 (# 1474:20 Unique 2.49, 2.81 A)
&rst
ixpk= 1474, nxpk= 20, iat=1744, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1746,1747,
&end
#
# 112 ASN HD2- 112 ASN HB- 4.50 (# 1476:20 Unique 2.12, 3.11 A)
&rst
ixpk= 1476, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1751,1752,
igr2=1746,1747,
&end
#
# 109 THR HN 112 ASN HB- 4.50 (# 1477:20 Unique 1.90, 2.60 A)
&rst
ixpk= 1477, nxpk= 20, iat=1702, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1746,1747,
&end
#
# 112 ASN HD2+ 112 ASN HB- 4.50 (# 1478:20 Unique 2.12, 3.11 A)
&rst
ixpk= 1478, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1751,1752,
igr2=1746,1747,
&end
#
# 112 ASN HD2+ 112 ASN HB+ 4.50 (# 1479:20 Unique 2.12, 3.11 A)
&rst
ixpk= 1479, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1751,1752,
igr2=1746,1747,
&end
#
# 112 ASN HN 112 ASN HB+ 4.50 (# 1480:20 Unique 2.07, 2.87 A)
&rst
ixpk= 1480, nxpk= 20, iat=1742, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1746,1747,
&end
#
# 109 THR HN 112 ASN HB+ 4.50 (# 1481:20 Unique 1.90, 2.60 A)
&rst
ixpk= 1481, nxpk= 20, iat=1702, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1746,1747,
&end
#
# 106 TYR HD 112 ASN HB+ 5.50 (# 1482:20 Unique 2.22, 5.03 A)
&rst
ixpk= 1482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1648,1657,
igr2=1746,1747,
&end
#
# 62 LYS HN 61 LYS HB- 4.50 (# 1483:20 Unique 2.59, 3.45 A)
&rst
ixpk= 1483, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 918, 919,
&end
#
# 62 LYS HN 61 LYS HB+ 4.50 (# 1484:20 Unique 2.59, 3.45 A)
&rst
ixpk= 1484, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 918, 919,
&end
#
# 61 LYS HN 61 LYS HB+ 4.50 (# 1485:20 Unique 2.49, 3.14 A)
&rst
ixpk= 1485, nxpk= 20, iat= 914, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 918, 919,
&end
#
# 61 LYS HA 61 LYS HB- 3.50 (# 1486:20 Unique 2.38, 2.80 A)
&rst
ixpk= 1486, nxpk= 20, iat= 916, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 918, 919,
&end
#
# 61 LYS HA 61 LYS HB+ 4.50 (# 1487:20 Unique 2.38, 2.80 A)
&rst
ixpk= 1487, nxpk= 20, iat= 916, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 918, 919,
&end
#
# 0 AMB 20-2:1488 119 GLU HG- 3.50 (# 1488:20 Single Ambig)
&rst
ixpk= 1488, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1937,1930,1931,1953,
igr2=1856,1857,
&end
#
# 63 GLU HN 63 GLU HB- 5.50 (# 1489:20 Unique 2.85, 3.37 A)
&rst
ixpk= 1489, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 962, 963,
&end
#
# 64 LEU HN 63 GLU HB- 3.50 (# 1490:20 Unique 2.23, 2.97 A)
&rst
ixpk= 1490, nxpk= 20, iat= 973, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 962, 963,
&end
#
# 63 GLU HA 63 GLU HB+ 4.50 (# 1491:20 Unique 2.51, 2.79 A)
&rst
ixpk= 1491, nxpk= 20, iat= 960, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 962, 963,
&end
#
# 63 GLU HN 63 GLU HB+ 4.50 (# 1492:20 Unique 2.85, 3.37 A)
&rst
ixpk= 1492, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 962, 963,
&end
#
# 64 LEU HN 63 GLU HB+ 4.50 (# 1493:20 Unique 2.23, 2.97 A)
&rst
ixpk= 1493, nxpk= 20, iat= 973, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 962, 963,
&end
#
# 59 ILE QD1 103 GLU HG- 4.50 (# 1494:20 Unique 2.00, 4.89 A)
&rst
ixpk= 1494, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 892, 893, 894,
igr2=1597,1598,
&end
#
# 119 GLU HA 119 GLU HG+ 4.50 (# 1495:20 Unique 2.04, 3.06 A)
&rst
ixpk= 1495, nxpk= 20, iat=1851, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1856,1857,
&end
#
# 111 GLU HA 0 AMB 20-1:1496 4.50 (# 1496:20 Single Ambig)
&rst
ixpk= 1496, nxpk= 20, iat=1729, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1734,1735,1734,1735,
&end
#
# 103 GLU HA 103 GLU HG- 4.50 (# 1497:20 Unique 2.62, 2.97 A)
&rst
ixpk= 1497, nxpk= 20, iat=1592, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1597,1598,
&end
#
# 103 GLU HN 103 GLU HG- 4.50 (# 1498:20 Unique 2.70, 3.55 A)
&rst
ixpk= 1498, nxpk= 20, iat=1590, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1597,1598,
&end
#
# 59 ILE QD1 103 GLU HG+ 4.50 (# 1499:20 Unique 2.00, 4.89 A)
&rst
ixpk= 1499, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 892, 893, 894,
igr2=1597,1598,
&end
#
# 103 GLU HA 103 GLU HG+ 3.50 (# 1500:20 Unique 2.62, 2.97 A)
&rst
ixpk= 1500, nxpk= 20, iat=1592, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1597,1598,
&end
#
# 119 GLU HN 119 GLU HG+ 4.50 (# 1501:20 Unique 1.97, 2.92 A)
&rst
ixpk= 1501, nxpk= 20, iat=1849, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1856,1857,
&end
#
# 98 GLU HA 98 GLU HG- 3.50 (# 1502:20 Unique 2.34, 2.97 A)
&rst
ixpk= 1502, nxpk= 20, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1523,1524,
&end
#
# 98 GLU HN 98 GLU HG- 4.50 (# 1503:20 Unique 3.43, 4.10 A)
&rst
ixpk= 1503, nxpk= 20, iat=1516, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1523,1524,
&end
#
# 98 GLU HN 0 AMB 20-1:1504 3.50 (# 1504:20 Single Ambig)
&rst
ixpk= 1504, nxpk= 20, iat=1516, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1508,1509,1523,1524,
&end
#
# 93 ILE QG2 97 GLU HG+ 4.50 (# 1505:20 Unique 2.23, 4.77 A)
&rst
ixpk= 1505, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1437,1438,1439,
igr2=1508,1509,
&end
#
# 41 GLU HA 0 AMB 20-1:1506 4.50 (# 1506:20 Single Ambig)
&rst
ixpk= 1506, nxpk= 20, iat= 654, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 659, 660, 659, 660,
&end
#
# 15 GLU HB- 15 GLU HG- 4.50 (# 1507:20 Unique 2.22, 2.69 A)
&rst
ixpk= 1507, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 228, 229,
igr2= 231, 232,
&end
#
# 15 GLU HB- 15 GLU HG+ 4.50 (# 1508:20 Unique 2.22, 2.69 A)
&rst
ixpk= 1508, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 228, 229,
igr2= 231, 232,
&end
#
# 74 TYR HB+ 15 GLU HG- 5.50 (# 1509:20 Unique 4.26, 6.16 A)
&rst
ixpk= 1509, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1126,1127,
igr2= 231, 232,
&end
#
# 15 GLU HA 15 GLU HG- 4.50 (# 1510:20 Unique 2.19, 3.06 A)
&rst
ixpk= 1510, nxpk= 20, iat= 226, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 231, 232,
&end
#
# 74 TYR HB+ 15 GLU HG+ 5.50 (# 1511:20 Unique 4.26, 6.16 A)
&rst
ixpk= 1511, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1126,1127,
igr2= 231, 232,
&end
#
# 62 LYS HN 62 LYS HB- 4.50 (# 1512:20 Unique 2.54, 2.95 A)
&rst
ixpk= 1512, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 940, 941,
&end
#
# 62 LYS HA 62 LYS HB- 4.50 (# 1513:20 Unique 2.37, 2.71 A)
&rst
ixpk= 1513, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 940, 941,
&end
#
# 7 GLU HA 7 GLU HG+ 5.50 (# 1515:20 Unique 2.20, 3.39 A)
&rst
ixpk= 1515, nxpk= 20, iat= 104, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 109, 110,
&end
#
# 114 GLU HA 114 GLU HG+ 4.50 (# 1516:20 Unique 2.11, 2.81 A)
&rst
ixpk= 1516, nxpk= 20, iat=1769, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1774,1775,
&end
#
# 118 ASN HD2+ 114 GLU HG+ 4.50 (# 1517:20 Unique 2.44, 3.85 A)
&rst
ixpk= 1517, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1844,1845,
igr2=1774,1775,
&end
#
# 114 GLU HB- 114 GLU HG- 4.50 (# 1518:20 Unique 2.21, 2.68 A)
&rst
ixpk= 1518, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1771,1772,
igr2=1774,1775,
&end
#
# 114 GLU HA 114 GLU HG- 3.50 (# 1519:20 Unique 2.11, 2.81 A)
&rst
ixpk= 1519, nxpk= 20, iat=1769, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1774,1775,
&end
#
# 118 ASN HD2+ 114 GLU HG- 4.50 (# 1520:20 Unique 2.44, 3.85 A)
&rst
ixpk= 1520, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1844,1845,
igr2=1774,1775,
&end
#
# 33 VAL HA 33 VAL HB 3.50 (# 1521:20 Unique 2.33, 2.46 A)
&rst
ixpk= 1521, nxpk= 20, iat= 537, 539, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 TYR HA 33 VAL HB 4.50 (# 1522:20 Unique 2.23, 3.21 A)
&rst
ixpk= 1522, nxpk= 20, iat= 453, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1523 33 VAL HB 4.50 (# 1523:20 Single Ambig)
&rst
ixpk= 1523, nxpk= 20, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 432, 535,
&end
#
# 0 AMB 20-2:1524 0 AMB 20-1:1524 4.50 (# 1524:20 Double Ambig)
&rst
ixpk= 1524, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
1055,1056, 541, 542, 543, 545, 546, 547,
igr2= 571, 572, 571, 572, 571, 572,
&end
#
# 0 AMB 20-2:1525 0 AMB 20-1:1525 5.50 (# 1525:20 Double Ambig)
&rst
ixpk= 1525, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 914, 535,
igr2= 571, 572, 571, 572,
&end
#
# 60 VAL MGX 102 GLN HG+ 4.50 (# 1526:20 Unique 1.99, 5.90 A)
&rst
ixpk= 1526, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 904, 905, 906, 908, 909, 910,
igr2=1580,1581,
&end
#
# 102 GLN HE2+ 102 GLN HG- 4.50 (# 1527:20 Unique 2.12, 3.22 A)
&rst
ixpk= 1527, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1585,1586,
igr2=1580,1581,
&end
#
# 102 GLN HA 102 GLN HG+ 3.50 (# 1528:20 Unique 2.18, 3.27 A)
&rst
ixpk= 1528, nxpk= 20, iat=1575, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1580,1581,
&end
#
# 60 VAL MGX 102 GLN HG- 4.50 (# 1529:20 Unique 1.99, 5.90 A)
&rst
ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 904, 905, 906, 908, 909, 910,
igr2=1580,1581,
&end
#
# 16 ILE HB 23 HIS HB- 4.50 (# 1530:20 Unique 1.99, 2.35 A)
&rst
ixpk= 1530, nxpk= 20, iat= 243, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 385, 386,
&end
#
# 16 ILE HB 23 HIS HB+ 4.50 (# 1531:20 Unique 1.99, 2.35 A)
&rst
ixpk= 1531, nxpk= 20, iat= 243, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 385, 386,
&end
#
# 23 HIS HA 23 HIS HB- 4.50 (# 1532:20 Unique 2.56, 2.84 A)
&rst
ixpk= 1532, nxpk= 20, iat= 383, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 385, 386,
&end
#
# 23 HIS HA 23 HIS HB+ 4.50 (# 1533:20 Unique 2.56, 2.84 A)
&rst
ixpk= 1533, nxpk= 20, iat= 383, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 385, 386,
&end
#
# 23 HIS HN 23 HIS HB+ 5.50 (# 1534:20 Unique 2.46, 2.95 A)
&rst
ixpk= 1534, nxpk= 20, iat= 381, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 385, 386,
&end
#
# 23 HIS HN 23 HIS HB- 5.50 (# 1535:20 Unique 2.46, 2.95 A)
&rst
ixpk= 1535, nxpk= 20, iat= 381, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 385, 386,
&end
#
# 84 TYR HN 83 LYS HB+ 4.50 (# 1536:20 Unique 2.88, 3.80 A)
&rst
ixpk= 1536, nxpk= 20, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1271,1272,
&end
#
# 83 LYS HE- 83 LYS HB+ 3.50 (# 1538:20 Unique 2.14, 3.76 A)
&rst
ixpk= 1538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1280,1281,
igr2=1271,1272,
&end
#
# 80 HIS HB- 83 LYS HB+ 4.50 (# 1539:20 Unique 2.36, 4.90 A)
&rst
ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1230,1231,
igr2=1271,1272,
&end
#
# 117 VAL MGX 24 TRP HB- 3.50 (# 1540:20 Unique 2.30, 4.51 A)
&rst
ixpk= 1540, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1825,1826,1827,1829,1830,1831,
igr2= 402, 403,
&end
#
# 24 TRP HN 24 TRP HB- 5.50 (# 1541:20 Unique 2.21, 2.88 A)
&rst
ixpk= 1541, nxpk= 20, iat= 398, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 402, 403,
&end
#
# 107 LYS HE+ 107 LYS HB+ 4.50 (# 1543:20 Unique 2.01, 3.58 A)
&rst
ixpk= 1543, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1674,1675,
igr2=1665,1666,
&end
#
# 79 LYS HG+ 79 LYS HB- 4.50 (# 1544:20 Unique 2.24, 2.59 A)
&rst
ixpk= 1544, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1211,1212,
igr2=1208,1209,
&end
#
# 79 LYS HG- 79 LYS HB- 4.50 (# 1545:20 Unique 2.24, 2.59 A)
&rst
ixpk= 1545, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1211,1212,
igr2=1208,1209,
&end
#
# 79 LYS HN 79 LYS HB- 3.50 (# 1546:20 Unique 2.07, 2.93 A)
&rst
ixpk= 1546, nxpk= 20, iat=1204, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1208,1209,
&end
#
# 0 AMB 20-2:1550 0 AMB 20-1:1550 5.50 (# 1550:20 Double Ambig)
&rst
ixpk= 1550, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 839, 840, 839, 840,
igr2=1665,1666,1665,1666,
&end
#
# 56 ASP HA 107 LYS HB+ 4.50 (# 1551:20 Unique 2.43, 3.94 A)
&rst
ixpk= 1551, nxpk= 20, iat= 837, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1665,1666,
&end
#
# 0 AMB 20-2:1553 0 AMB 20-1:1553 4.50 (# 1553:20 Double Ambig)
&rst
ixpk= 1553, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1640,1751,1752,
igr2=1609,1665,1666,
&end
#
# 79 LYS HE+ 79 LYS HB- 4.50 (# 1554:20 Unique 2.00, 3.89 A)
&rst
ixpk= 1554, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1217,1218,
igr2=1208,1209,
&end
#
# 79 LYS HE+ 79 LYS HB+ 5.50 (# 1555:20 Unique 2.00, 3.89 A)
&rst
ixpk= 1555, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1217,1218,
igr2=1208,1209,
&end
#
# 79 LYS HA 79 LYS HB+ 3.50 (# 1556:20 Unique 2.39, 2.77 A)
&rst
ixpk= 1556, nxpk= 20, iat=1206, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1208,1209,
&end
#
# 79 LYS HG+ 79 LYS HB+ 4.50 (# 1557:20 Unique 2.24, 2.59 A)
&rst
ixpk= 1557, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1211,1212,
igr2=1208,1209,
&end
#
# 79 LYS HG- 79 LYS HB+ 4.50 (# 1558:20 Unique 2.24, 2.59 A)
&rst
ixpk= 1558, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1211,1212,
igr2=1208,1209,
&end
#
# 79 LYS HN 79 LYS HB+ 3.50 (# 1559:20 Unique 2.07, 2.93 A)
&rst
ixpk= 1559, nxpk= 20, iat=1204, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1208,1209,
&end
#
# 0 AMB 20-2:1560 94 GLN HG- 4.50 (# 1560:20 Single Ambig)
&rst
ixpk= 1560, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1462,1463,1450,
igr2=1457,1458,
&end
#
# 0 AMB 20-2:1561 0 AMB 20-1:1561 4.50 (# 1561:20 Double Ambig)
&rst
ixpk= 1561, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1462,1463,1450,
igr2=1457,1458,1457,1458,
&end
#
# 91 LYS HB+ 94 GLN HG- 4.50 (# 1562:20 Unique 4.07, 5.71 A)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1394,1395,
igr2=1457,1458,
&end
#
# 125 ALA HN 124 VAL HB 4.50 (# 1563:20 Unique 3.77, 4.23 A)
&rst
ixpk= 1563, nxpk= 20, iat=1951,1939, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 LYS HG+ 73 LYS HB+ 4.50 (# 1564:20 Unique 2.21, 2.68 A)
&rst
ixpk= 1564, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1107,1108,
igr2=1104,1105,
&end
#
# 74 TYR HN 73 LYS HB- 4.50 (# 1565:20 Unique 2.94, 4.11 A)
&rst
ixpk= 1565, nxpk= 20, iat=1122, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1104,1105,
&end
#
# 74 TYR HN 73 LYS HB+ 4.50 (# 1566:20 Unique 2.94, 4.11 A)
&rst
ixpk= 1566, nxpk= 20, iat=1122, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1104,1105,
&end
#
# 17 PHE HB+ 73 LYS HB+ 4.50 (# 1567:20 Unique 2.16, 4.50 A)
&rst
ixpk= 1567, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 262, 263,
igr2=1104,1105,
&end
#
# 17 PHE HB+ 73 LYS HB- 4.50 (# 1568:20 Unique 2.16, 4.50 A)
&rst
ixpk= 1568, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 262, 263,
igr2=1104,1105,
&end
#
# 43 ALA MB 42 VAL HB 5.50 (# 1569:20 Unique 3.18, 4.48 A)
&rst
ixpk= 1569, nxpk= 20, iat= -1, 671, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 687, 688, 689,
&end
#
# 42 VAL HN 42 VAL HB 4.50 (# 1570:20 Unique 2.64, 3.57 A)
&rst
ixpk= 1570, nxpk= 20, iat= 667, 671, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 LEU MDX 68 VAL HB 4.50 (# 1571:20 Unique 2.48, 4.94 A)
&rst
ixpk= 1571, nxpk= 20, iat= -1,1048, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1001,1002,1003,1005,1006,1007,
&end
#
# 68 VAL HA 68 VAL HB 4.50 (# 1572:20 Unique 3.02, 3.02 A)
&rst
ixpk= 1572, nxpk= 20, iat=1046,1048, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 LEU HA 68 VAL HB 3.50 (# 1573:20 Unique 1.92, 2.06 A)
&rst
ixpk= 1573, nxpk= 20, iat= 994,1048, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 69 ALA HN 68 VAL HB 3.50 (# 1574:20 Unique 2.01, 2.32 A)
&rst
ixpk= 1574, nxpk= 20, iat=1060,1048, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 PRO HD- 6 PRO HB+ 5.50 (# 1575:20 Unique 4.48, 6.44 A)
&rst
ixpk= 1575, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 56, 57,
igr2= 95, 96,
&end
#
# 4 PRO HD+ 6 PRO HB+ 5.50 (# 1576:20 Unique 4.48, 6.44 A)
&rst
ixpk= 1576, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 56, 57,
igr2= 95, 96,
&end
#
# 87 LEU HB- 91 LYS HB+ 4.50 (# 1577:20 Unique 1.93, 2.96 A)
&rst
ixpk= 1577, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1339,1340,
igr2=1394,1395,
&end
#
# 87 LEU MDY 91 LYS HB+ 4.50 (# 1578:20 Unique 1.99, 4.09 A)
&rst
ixpk= 1578, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1344,1345,1346,1348,1349,1350,
igr2=1394,1395,
&end
#
# 92 ILE HA 91 LYS HB+ 4.50 (# 1579:20 Unique 3.91, 4.32 A)
&rst
ixpk= 1579, nxpk= 20, iat=1414, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1394,1395,
&end
#
# 92 ILE HN 91 LYS HB+ 4.50 (# 1580:20 Unique 2.41, 2.95 A)
&rst
ixpk= 1580, nxpk= 20, iat=1412, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1394,1395,
&end
#
# 59 ILE QD1 39 PRO HB- 4.50 (# 1582:20 Unique 4.13, 5.77 A)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 892, 893, 894,
igr2= 634, 635,
&end
#
# 39 PRO HD- 39 PRO HB- 5.50 (# 1583:20 Unique 2.98, 3.70 A)
&rst
ixpk= 1583, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 628, 629,
igr2= 634, 635,
&end
#
# 0 AMB 20-2:1584 0 AMB 20-1:1584 4.50 (# 1584:20 Double Ambig)
&rst
ixpk= 1584, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 628, 629, 56, 57, 645, 646,
igr2= 634, 635, 62, 63,
&end
#
# 87 LEU HN 86 PRO HB- 4.50 (# 1585:20 Unique 3.71, 4.11 A)
&rst
ixpk= 1585, nxpk= 20, iat=1335, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1328,1329,
&end
#
# 0 AMB 20-2:1587 0 AMB 20-1:1587 3.50 (# 1587:20 Double Ambig)
&rst
ixpk= 1587, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1605,1310, 869,
igr2=1594,1595,1328,1329,1594,1595,
&end
#
# 4 PRO HD- 6 PRO HB- 5.50 (# 1588:20 Unique 4.48, 6.44 A)
&rst
ixpk= 1588, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 56, 57,
igr2= 95, 96,
&end
#
# 76 VAL MGX 9 LYS HB+ 5.50 (# 1589:20 Unique 3.08, 6.65 A)
&rst
ixpk= 1589, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1166,1167,1168,1170,1171,1172,
igr2= 135, 136,
&end
#
# 15 GLU HG- 15 GLU HB+ 4.50 (# 1593:20 Unique 2.22, 2.69 A)
&rst
ixpk= 1593, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 231, 232,
igr2= 228, 229,
&end
#
# 77 ASN HB- 15 GLU HB+ 4.50 (# 1594:20 Unique 1.99, 4.06 A)
&rst
ixpk= 1594, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1180,1181,
igr2= 228, 229,
&end
#
# 15 GLU HA 15 GLU HB+ 4.50 (# 1595:20 Unique 2.30, 2.72 A)
&rst
ixpk= 1595, nxpk= 20, iat= 226, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 228, 229,
&end
#
# 15 GLU HN 15 GLU HB+ 4.50 (# 1596:20 Unique 2.41, 2.89 A)
&rst
ixpk= 1596, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 228, 229,
&end
#
# 100 VAL HA 100 VAL HB 4.50 (# 1597:20 Unique 2.44, 2.64 A)
&rst
ixpk= 1597, nxpk= 20, iat=1552,1554, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 76 VAL HN 75 GLN HB+ 4.50 (# 1598:20 Unique 2.32, 3.03 A)
&rst
ixpk= 1598, nxpk= 20, iat=1160, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1147,1148,
&end
#
# 76 VAL HN 75 GLN HB- 4.50 (# 1599:20 Unique 2.32, 3.03 A)
&rst
ixpk= 1599, nxpk= 20, iat=1160, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1147,1148,
&end
#
# 8 PRO HA 8 PRO HB+ 4.50 (# 1601:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1601, nxpk= 20, iat= 127, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 124, 125,
&end
#
# 19 PRO HA 19 PRO HB+ 4.50 (# 1603:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1603, nxpk= 20, iat= 312, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 309, 310,
&end
#
# 15 GLU HG- 15 GLU HB- 4.50 (# 1604:20 Unique 2.22, 2.69 A)
&rst
ixpk= 1604, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 231, 232,
igr2= 228, 229,
&end
#
# 15 GLU HA 15 GLU HB- 5.50 (# 1605:20 Unique 2.30, 2.72 A)
&rst
ixpk= 1605, nxpk= 20, iat= 226, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 228, 229,
&end
#
# 121 ARG HN 121 ARG HB+ 4.50 (# 1606:20 Unique 2.07, 2.74 A)
&rst
ixpk= 1606, nxpk= 20, iat=1883, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1887,1888,
&end
#
# 15 GLU HN 15 GLU HB- 4.50 (# 1607:20 Unique 2.41, 2.89 A)
&rst
ixpk= 1607, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 228, 229,
&end
#
# 8 PRO HG+ 8 PRO HB- 5.50 (# 1608:20 Unique 2.32, 2.58 A)
&rst
ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 121, 122,
igr2= 124, 125,
&end
#
# 0 AMB 20-2:1609 8 PRO HB- 4.50 (# 1609:20 Single Ambig)
&rst
ixpk= 1609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 118, 119, 178, 179,
igr2= 124, 125,
&end
#
# 8 PRO HA 8 PRO HB- 4.50 (# 1610:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1610, nxpk= 20, iat= 127, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 124, 125,
&end
#
# 60 VAL HN 60 VAL HB 3.50 (# 1612:20 Unique 2.47, 2.66 A)
&rst
ixpk= 1612, nxpk= 20, iat= 898, 902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 102 GLN HN 60 VAL HB 4.50 (# 1613:20 Unique 2.49, 2.66 A)
&rst
ixpk= 1613, nxpk= 20, iat=1573, 902, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 101 GLY HN 60 VAL HB 4.50 (# 1614:20 Unique 2.25, 2.75 A)
&rst
ixpk= 1614, nxpk= 20, iat=1566, 902, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 PRO HD+ 38 PRO HB- 5.50 (# 1615:20 Unique 2.08, 3.16 A)
&rst
ixpk= 1615, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 628, 629,
igr2= 620, 621,
&end
#
# 26 ILE HB 117 VAL HB 4.50 (# 1617:20 Unique 1.97, 2.73 A)
&rst
ixpk= 1617, nxpk= 20, iat= 436,1823, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 117 VAL HN 117 VAL HB 5.50 (# 1618:20 Unique 2.59, 3.51 A)
&rst
ixpk= 1618, nxpk= 20, iat=1819,1823, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 ARG HN 121 ARG HB- 4.50 (# 1619:20 Unique 2.07, 2.74 A)
&rst
ixpk= 1619, nxpk= 20, iat=1883, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1887,1888,
&end
#
# 83 LYS HB+ 80 HIS HB- 5.50 (# 1620:20 Unique 2.36, 4.90 A)
&rst
ixpk= 1620, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1271,1272,
igr2=1230,1231,
&end
#
# 80 HIS HA 80 HIS HB- 4.50 (# 1621:20 Unique 2.38, 2.74 A)
&rst
ixpk= 1621, nxpk= 20, iat=1228, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1230,1231,
&end
#
# 99 LEU MDY 95 ARG HB+ 5.50 (# 1624:20 Unique 1.99, 5.42 A)
&rst
ixpk= 1624, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1540,1541,1542,1544,1545,1546,
igr2=1471,1472,
&end
#
# 0 AMB 20-2:1625 0 AMB 20-1:1625 3.50 (# 1625:20 Double Ambig)
&rst
ixpk= 1625, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 102, 683,
igr2= 106, 107, 656, 657,
&end
#
# 99 LEU HN 98 GLU HB- 5.50 (# 1627:20 Unique 3.11, 3.54 A)
&rst
ixpk= 1627, nxpk= 20, iat=1531, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1520,1521,
&end
#
# 99 LEU HN 98 GLU HB+ 4.50 (# 1628:20 Unique 3.11, 3.54 A)
&rst
ixpk= 1628, nxpk= 20, iat=1531, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1520,1521,
&end
#
# 24 TRP HH2 79 LYS HD+ 4.50 (# 1629:20 Unique 1.99, 3.33 A)
&rst
ixpk= 1629, nxpk= 20, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1214,1215,
&end
#
# 62 LYS HE+ 62 LYS HD- 4.50 (# 1630:20 Unique 2.22, 2.66 A)
&rst
ixpk= 1630, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 949, 950,
igr2= 946, 947,
&end
#
# 62 LYS HE+ 62 LYS HD+ 5.50 (# 1631:20 Unique 2.22, 2.66 A)
&rst
ixpk= 1631, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 949, 950,
igr2= 946, 947,
&end
#
# 62 LYS HG- 62 LYS HD- 4.50 (# 1632:20 Unique 2.22, 2.68 A)
&rst
ixpk= 1632, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 943, 944,
igr2= 946, 947,
&end
#
# 62 LYS HG- 62 LYS HD+ 4.50 (# 1633:20 Unique 2.22, 2.68 A)
&rst
ixpk= 1633, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 943, 944,
igr2= 946, 947,
&end
#
# 111 GLU HN 111 GLU HB+ 4.50 (# 1638:20 Unique 2.10, 2.86 A)
&rst
ixpk= 1638, nxpk= 20, iat=1727, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1731,1732,
&end
#
# 112 ASN HN 111 GLU HB- 5.50 (# 1639:20 Unique 2.69, 3.34 A)
&rst
ixpk= 1639, nxpk= 20, iat=1742, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1731,1732,
&end
#
# 111 GLU HN 111 GLU HB- 4.50 (# 1640:20 Unique 2.10, 2.86 A)
&rst
ixpk= 1640, nxpk= 20, iat=1727, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1731,1732,
&end
#
# 114 GLU HG- 114 GLU HB- 4.50 (# 1642:20 Unique 2.21, 2.68 A)
&rst
ixpk= 1642, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1774,1775,
igr2=1771,1772,
&end
#
# 109 THR MG2 107 LYS HD+ 4.50 (# 1643:20 Unique 1.99, 5.30 A)
&rst
ixpk= 1643, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1708,1709,1710,
igr2=1671,1672,
&end
#
# 114 GLU HN 114 GLU HB- 4.50 (# 1644:20 Unique 2.14, 2.56 A)
&rst
ixpk= 1644, nxpk= 20, iat=1767, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1771,1772,
&end
#
# 115 HIS HN 114 GLU HB- 5.50 (# 1645:20 Unique 2.55, 3.26 A)
&rst
ixpk= 1645, nxpk= 20, iat=1782, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1771,1772,
&end
#
# 0 AMB 20-2:1646 0 AMB 20-1:1646 5.50 (# 1646:20 Double Ambig)
&rst
ixpk= 1646, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1661,1431,
igr2=1671,1672, 442, 443,
&end
#
# 0 AMB 20-2:1647 0 AMB 20-1:1647 4.50 (# 1647:20 Double Ambig)
&rst
ixpk= 1647, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1663,1685,
igr2=1671,1672,1671,1672,
&end
#
# 26 ILE HA 26 ILE HG1+ 4.50 (# 1648:20 Unique 2.01, 2.85 A)
&rst
ixpk= 1648, nxpk= 20, iat= 434, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 442, 443,
&end
#
# 120 LEU HN 119 GLU HB+ 4.50 (# 1649:20 Unique 2.98, 3.66 A)
&rst
ixpk= 1649, nxpk= 20, iat=1864, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1853,1854,
&end
#
# 125 ALA HN 119 GLU HB- 4.50 (# 1650:20 Unique 1.93, 4.04 A)
&rst
ixpk= 1650, nxpk= 20, iat=1951, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1853,1854,
&end
#
# 120 LEU HN 119 GLU HB+ 4.50 (# 1651:20 Unique 2.98, 3.66 A)
&rst
ixpk= 1651, nxpk= 20, iat=1864, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1853,1854,
&end
#
# 27 TYR HN 26 ILE HG1+ 4.50 (# 1652:20 Unique 2.17, 3.04 A)
&rst
ixpk= 1652, nxpk= 20, iat= 451, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 442, 443,
&end
#
# 26 ILE HB 26 ILE HG1- 4.50 (# 1654:20 Unique 2.52, 2.84 A)
&rst
ixpk= 1654, nxpk= 20, iat= 436, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 442, 443,
&end
#
# 0 AMB 20-2:1655 26 ILE HG1- 5.50 (# 1655:20 Single Ambig)
&rst
ixpk= 1655, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 169, 170, 455, 456,
igr2= 442, 443,
&end
#
# 26 ILE HA 26 ILE HG1- 4.50 (# 1656:20 Unique 2.01, 2.85 A)
&rst
ixpk= 1656, nxpk= 20, iat= 434, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 442, 443,
&end
#
# 27 TYR HN 26 ILE HG1- 4.50 (# 1657:20 Unique 2.17, 3.04 A)
&rst
ixpk= 1657, nxpk= 20, iat= 451, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 442, 443,
&end
#
# 91 LYS HA 91 LYS HD+ 4.50 (# 1663:20 Unique 2.01, 2.93 A)
&rst
ixpk= 1663, nxpk= 20, iat=1392, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1400,1401,
&end
#
# 87 LEU HG 86 PRO HG+ 4.50 (# 1664:20 Unique 2.39, 3.69 A)
&rst
ixpk= 1664, nxpk= 20, iat=1342, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1325,1326,
&end
#
# 95 ARG HN 94 GLN HB- 4.50 (# 1665:20 Unique 2.19, 3.13 A)
&rst
ixpk= 1665, nxpk= 20, iat=1467, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1454,1455,
&end
#
# 95 ARG HN 94 GLN HB+ 4.50 (# 1666:20 Unique 2.19, 3.13 A)
&rst
ixpk= 1666, nxpk= 20, iat=1467, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1454,1455,
&end
#
# 16 ILE HN 16 ILE HG1+ 4.50 (# 1667:20 Unique 1.94, 3.09 A)
&rst
ixpk= 1667, nxpk= 20, iat= 239, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 249, 250,
&end
#
# 93 ILE HN 93 ILE HG1+ 3.50 (# 1668:20 Unique 1.91, 2.73 A)
&rst
ixpk= 1668, nxpk= 20, iat=1431, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1441,1442,
&end
#
# 121 ARG HB+ 121 ARG HG+ 3.50 (# 1669:20 Unique 2.21, 2.66 A)
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1887,1888,
igr2=1890,1891,
&end
#
# 121 ARG HA 121 ARG HG+ 5.50 (# 1670:20 Unique 2.14, 3.24 A)
&rst
ixpk= 1670, nxpk= 20, iat=1885, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1890,1891,
&end
#
# 30 ASP HA 10 PRO HG+ 3.50 (# 1671:20 Unique 5.15, 7.92 A)
&rst
ixpk= 1671, nxpk= 20, iat= 497, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 157, 158,
&end
#
# 122 TYR HA 87 LEU HG 4.50 (# 1672:20 Unique 2.71, 3.46 A)
&rst
ixpk= 1672, nxpk= 20, iat=1909,1342, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 87 LEU HA 87 LEU HG 4.50 (# 1673:20 Unique 2.40, 3.13 A)
&rst
ixpk= 1673, nxpk= 20, iat=1337,1342, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ILE HA 93 ILE HG1- 4.50 (# 1674:20 Unique 2.64, 2.96 A)
&rst
ixpk= 1674, nxpk= 20, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1441,1442,
&end
#
# 93 ILE HN 93 ILE HG1- 4.50 (# 1676:20 Unique 1.91, 2.73 A)
&rst
ixpk= 1676, nxpk= 20, iat=1431, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1441,1442,
&end
#
# 87 LEU HN 87 LEU HG 3.50 (# 1677:20 Unique 1.92, 2.82 A)
&rst
ixpk= 1677, nxpk= 20, iat=1335,1342, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 108 LEU MDX 38 PRO HG+ 4.50 (# 1678:20 Unique 3.56, 5.84 A)
&rst
ixpk= 1678, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1692,1693,1694,1696,1697,1698,
igr2= 617, 618,
&end
#
# 0 AMB 20-2:1681 0 AMB 20-1:1681 4.50 (# 1681:20 Double Ambig)
&rst
ixpk= 1681, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1692,1693,1694,1696,1697,1698, 885, 886, 887,
igr2= 617, 618, 631, 632,
&end
#
# 0 AMB 20-2:1682 39 PRO HG- 4.50 (# 1682:20 Single Ambig)
&rst
ixpk= 1682, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 637, 643, 654,
igr2= 631, 632,
&end
#
# 120 LEU MDX 95 ARG HG+ 5.50 (# 1685:20 Unique 1.99, 6.16 A)
&rst
ixpk= 1685, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1873,1874,1875,1877,1878,1879,
igr2=1474,1475,
&end
#
# 120 LEU MDX 95 ARG HG- 4.50 (# 1686:20 Unique 1.99, 6.16 A)
&rst
ixpk= 1686, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1873,1874,1875,1877,1878,1879,
igr2=1474,1475,
&end
#
# 95 ARG HD+ 95 ARG HG+ 4.50 (# 1687:20 Unique 2.22, 2.71 A)
&rst
ixpk= 1687, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1477,1478,
igr2=1474,1475,
&end
#
# 95 ARG HA 95 ARG HG+ 4.50 (# 1689:20 Unique 2.19, 3.10 A)
&rst
ixpk= 1689, nxpk= 20, iat=1469, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1474,1475,
&end
#
# 95 ARG HD+ 95 ARG HG- 4.50 (# 1690:20 Unique 2.22, 2.71 A)
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1477,1478,
igr2=1474,1475,
&end
#
# 95 ARG HA 95 ARG HG- 4.50 (# 1691:20 Unique 2.19, 3.10 A)
&rst
ixpk= 1691, nxpk= 20, iat=1469, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1474,1475,
&end
#
# 92 ILE HN 92 ILE HG1+ 3.50 (# 1692:20 Unique 1.88, 3.03 A)
&rst
ixpk= 1692, nxpk= 20, iat=1412, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1422,1423,
&end
#
# 95 ARG HN 95 ARG HG+ 5.50 (# 1693:20 Unique 1.95, 3.70 A)
&rst
ixpk= 1693, nxpk= 20, iat=1467, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1474,1475,
&end
#
# 95 ARG HD- 95 ARG HG- 4.50 (# 1694:20 Unique 2.22, 2.71 A)
&rst
ixpk= 1694, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1477,1478,
igr2=1474,1475,
&end
#
# 39 PRO HA 59 ILE HG1- 4.50 (# 1695:20 Unique 2.91, 4.06 A)
&rst
ixpk= 1695, nxpk= 20, iat= 637, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 889, 890,
&end
#
# 59 ILE HA 59 ILE HG1- 4.50 (# 1696:20 Unique 2.28, 3.58 A)
&rst
ixpk= 1696, nxpk= 20, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 889, 890,
&end
#
# 8 PRO HD+ 8 PRO HG- 4.50 (# 1697:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1697, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 118, 119,
igr2= 121, 122,
&end
#
# 0 AMB 20-2:1698 0 AMB 20-1:1698 4.50 (# 1698:20 Double Ambig)
&rst
ixpk= 1698, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 89, 90, 89, 90,
igr2= 79, 80, 121, 122,
&end
#
# 60 VAL HN 59 ILE HG1- 4.50 (# 1699:20 Unique 2.40, 3.61 A)
&rst
ixpk= 1699, nxpk= 20, iat= 898, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 889, 890,
&end
#
# 59 ILE HN 59 ILE HG1- 5.50 (# 1700:20 Unique 2.55, 3.16 A)
&rst
ixpk= 1700, nxpk= 20, iat= 879, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 889, 890,
&end
#
# 60 VAL HN 59 ILE HG1+ 4.50 (# 1701:20 Unique 2.40, 3.61 A)
&rst
ixpk= 1701, nxpk= 20, iat= 898, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 889, 890,
&end
#
# 59 ILE HN 59 ILE HG1+ 4.50 (# 1702:20 Unique 2.55, 3.16 A)
&rst
ixpk= 1702, nxpk= 20, iat= 879, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 889, 890,
&end
#
# 108 LEU HN 108 LEU HG 4.50 (# 1703:20 Unique 2.16, 3.85 A)
&rst
ixpk= 1703, nxpk= 20, iat=1683,1690, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 TYR HE 64 LEU HG 4.50 (# 1704:20 Unique 2.81, 6.25 A)
&rst
ixpk= 1704, nxpk= 20, iat= -1, 980, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1021,1026,
&end
#
# 64 LEU HN 64 LEU HG 4.50 (# 1705:20 Unique 2.12, 3.08 A)
&rst
ixpk= 1705, nxpk= 20, iat= 973, 980, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 113 CYS HA 113 CYS HB- 4.50 (# 1707:20 Unique 2.31, 2.73 A)
&rst
ixpk= 1707, nxpk= 20, iat=1758, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1760,1761,
&end
#
# 113 CYS HA 113 CYS HB+ 4.50 (# 1708:20 Unique 2.31, 2.73 A)
&rst
ixpk= 1708, nxpk= 20, iat=1758, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1760,1761,
&end
#
# 24 TRP HN 113 CYS HB+ 5.50 (# 1711:20 Unique 2.16, 2.80 A)
&rst
ixpk= 1711, nxpk= 20, iat= 398, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1760,1761,
&end
#
# 24 TRP HD1 113 CYS HB- 5.50 (# 1712:20 Unique 3.25, 4.24 A)
&rst
ixpk= 1712, nxpk= 20, iat= 406, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1760,1761,
&end
#
# 114 GLU HN 113 CYS HB- 4.50 (# 1713:20 Unique 2.11, 2.83 A)
&rst
ixpk= 1713, nxpk= 20, iat=1767, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1760,1761,
&end
#
# 113 CYS HN 113 CYS HB- 4.50 (# 1714:20 Unique 2.22, 3.05 A)
&rst
ixpk= 1714, nxpk= 20, iat=1756, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1760,1761,
&end
#
# 0 AMB 20-2:1715 0 AMB 20-1:1715 5.50 (# 1715:20 Double Ambig)
&rst
ixpk= 1715, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 584,1742,
igr2=1760,1761,1760,1761,
&end
#
# 113 CYS HN 113 CYS HB+ 5.50 (# 1716:20 Unique 2.22, 3.05 A)
&rst
ixpk= 1716, nxpk= 20, iat=1756, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1760,1761,
&end
#
# 99 LEU HA 99 LEU HG 4.50 (# 1717:20 Unique 2.81, 3.19 A)
&rst
ixpk= 1717, nxpk= 20, iat=1533,1538, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 99 LEU HN 99 LEU HG 4.50 (# 1718:20 Unique 2.46, 2.62 A)
&rst
ixpk= 1718, nxpk= 20, iat=1531,1538, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1719 0 AMB 20-1:1719 3.50 (# 1719:20 Double Ambig)
&rst
ixpk= 1719, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 357, 45,1621,
igr2= 364, 365, 28, 29,1628,
&end
#
# 6 PRO HD+ 8 PRO HG+ 4.50 (# 1720:20 Unique 4.89, 6.20 A)
&rst
ixpk= 1720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 89, 90,
igr2= 121, 122,
&end
#
# 120 LEU MDY 99 LEU MDY 4.50 (# 1721:20 Unique 1.99, 5.40 A)
&rst
ixpk= 1721, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1873,1874,1875,1877,1878,1879,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 0 AMB 20-2:1722 99 LEU MDY 4.50 (# 1722:20 Single Ambig)
&rst
ixpk= 1722, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1807,1815,1531,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 96 ALA HA 99 LEU MDY 4.50 (# 1723:20 Unique 1.99, 5.48 A)
&rst
ixpk= 1723, nxpk= 20, iat=1493, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 99 LEU HA 99 LEU MDY 4.50 (# 1724:20 Unique 1.99, 3.83 A)
&rst
ixpk= 1724, nxpk= 20, iat=1533, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 93 ILE QD1 89 CYS HB+ 5.50 (# 1725:20 Unique 2.12, 4.48 A)
&rst
ixpk= 1725, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1444,1445,1446,
igr2=1372,1373,
&end
#
# 92 ILE QD1 89 CYS HB+ 4.50 (# 1726:20 Unique 3.83, 5.49 A)
&rst
ixpk= 1726, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1425,1426,1427,
igr2=1372,1373,
&end
#
# 36 LEU HN 36 LEU MDY 4.50 (# 1729:20 Unique 2.85, 4.80 A)
&rst
ixpk= 1729, nxpk= 20, iat= 584, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 593, 594, 595, 597, 598, 599,
&end
#
# 65 LEU HA 65 LEU HG 4.50 (# 1730:20 Unique 2.27, 2.45 A)
&rst
ixpk= 1730, nxpk= 20, iat= 994, 999, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 TYR HE 65 LEU HG 5.50 (# 1731:20 Unique 5.07, 6.79 A)
&rst
ixpk= 1731, nxpk= 20, iat= -1, 999, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1132,1137,
&end
#
# 65 LEU HN 65 LEU HG 5.50 (# 1732:20 Unique 3.76, 3.90 A)
&rst
ixpk= 1732, nxpk= 20, iat= 992, 999, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 120 LEU HN 120 LEU MDY 4.50 (# 1733:20 Unique 2.61, 4.01 A)
&rst
ixpk= 1733, nxpk= 20, iat=1864, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 116 PHE HE 120 LEU MDY 4.50 (# 1734:20 Unique 2.13, 4.52 A)
&rst
ixpk= 1734, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1809,1813,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 116 PHE HD 120 LEU MDY 5.50 (# 1735:20 Unique 2.73, 5.44 A)
&rst
ixpk= 1735, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1807,1815,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 0 AMB 20-2:1736 120 LEU HG 4.50 (# 1736:20 Single Ambig)
&rst
ixpk= 1736, nxpk= 20, iat= -1,1871, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1866,1493,
&end
#
# 120 LEU HN 120 LEU HG 4.50 (# 1737:20 Unique 1.90, 2.01 A)
&rst
ixpk= 1737, nxpk= 20, iat=1864,1871, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 121 ARG HD+ 13 LEU HG 5.50 (# 1739:20 Unique 1.96, 3.59 A)
&rst
ixpk= 1739, nxpk= 20, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1893,1894,
&end
#
# 0 AMB 20-2:1740 0 AMB 20-1:1740 3.50 (# 1740:20 Double Ambig)
&rst
ixpk= 1740, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 916, 188,
igr2= 921, 922, 193,
&end
#
# 78 ASN HA 13 LEU HG 4.50 (# 1741:20 Unique 2.92, 3.45 A)
&rst
ixpk= 1741, nxpk= 20, iat=1192, 193, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 118 ASN HD2+ 13 LEU HG 4.50 (# 1742:20 Unique 4.45, 5.05 A)
&rst
ixpk= 1742, nxpk= 20, iat= -1, 193, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1844,1845,
&end
#
# 121 ARG HN 13 LEU HG 5.50 (# 1744:20 Unique 4.84, 5.51 A)
&rst
ixpk= 1744, nxpk= 20, iat=1883, 193, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 LYS HN 13 LEU HG 4.50 (# 1745:20 Unique 2.86, 3.52 A)
&rst
ixpk= 1745, nxpk= 20, iat=1204, 193, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 LEU HG 13 LEU MDX 3.50 (# 1746:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1746, nxpk= 20, iat= 193, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 195, 196, 197, 199, 200, 201,
&end
#
# 0 AMB 20-2:1747 13 LEU MDX 5.50 (# 1747:20 Single Ambig)
&rst
ixpk= 1747, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 190, 191,1208,1209,1214,1215,
igr2= 195, 196, 197, 199, 200, 201,
&end
#
# 121 ARG HD+ 13 LEU MDX 4.50 (# 1748:20 Unique 2.00, 4.94 A)
&rst
ixpk= 1748, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1893,1894,
igr2= 195, 196, 197, 199, 200, 201,
&end
#
# 0 AMB 20-2:1749 87 LEU MDY 4.50 (# 1749:20 Single Ambig)
&rst
ixpk= 1749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1928,1412,
igr2=1344,1345,1346,1348,1349,1350,
&end
#
# 87 LEU HN 87 LEU MDY 4.50 (# 1750:20 Unique 2.21, 4.63 A)
&rst
ixpk= 1750, nxpk= 20, iat=1335, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1344,1345,1346,1348,1349,1350,
&end
#
# 61 LYS HA 61 LYS HG+ 4.50 (# 1751:20 Unique 2.24, 2.75 A)
&rst
ixpk= 1751, nxpk= 20, iat= 916, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 921, 922,
&end
#
# 64 LEU HA 64 LEU MDY 4.50 (# 1753:20 Unique 1.96, 3.81 A)
&rst
ixpk= 1753, nxpk= 20, iat= 975, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 982, 983, 984, 986, 987, 988,
&end
#
# 32 TYR HD 64 LEU MDY 4.50 (# 1754:20 Unique 1.88, 6.05 A)
&rst
ixpk= 1754, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 522, 531,
igr2= 982, 983, 984, 986, 987, 988,
&end
#
# 64 LEU HN 64 LEU MDY 4.50 (# 1755:20 Unique 1.90, 4.47 A)
&rst
ixpk= 1755, nxpk= 20, iat= 973, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 982, 983, 984, 986, 987, 988,
&end
#
# 87 LEU HA 87 LEU MDY 4.50 (# 1756:20 Unique 1.96, 3.86 A)
&rst
ixpk= 1756, nxpk= 20, iat=1337, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1344,1345,1346,1348,1349,1350,
&end
#
# 0 AMB 20-2:1757 65 LEU MDY 5.50 (# 1757:20 Single Ambig)
&rst
ixpk= 1757, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 249, 250, 121, 122,
igr2=1001,1002,1003,1005,1006,1007,
&end
#
# 87 LEU MDY 91 LYS HG+ 4.50 (# 1758:20 Unique 2.01, 4.96 A)
&rst
ixpk= 1758, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1344,1345,1346,1348,1349,1350,
igr2=1397,1398,
&end
#
# 91 LYS HE+ 91 LYS HG+ 4.50 (# 1759:20 Unique 2.00, 3.03 A)
&rst
ixpk= 1759, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1403,1404,
igr2=1397,1398,
&end
#
# 0 AMB 20-2:1760 0 AMB 20-1:1760 4.50 (# 1760:20 Double Ambig)
&rst
ixpk= 1760, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1403,1404,1674,1675,
igr2=1397,1398,1668,1669,
&end
#
# 0 AMB 20-2:1761 0 AMB 20-1:1761 4.50 (# 1761:20 Double Ambig)
&rst
ixpk= 1761, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1663,1392,
igr2=1668,1669,1397,1398,
&end
#
# 0 AMB 20-2:1762 0 AMB 20-1:1762 4.50 (# 1762:20 Double Ambig)
&rst
ixpk= 1762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1663,1392,
igr2=1668,1669,1397,1398,
&end
#
# 91 LYS HN 91 LYS HG+ 5.50 (# 1763:20 Unique 2.40, 3.24 A)
&rst
ixpk= 1763, nxpk= 20, iat=1390, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1397,1398,
&end
#
# 0 AMB 20-2:1764 0 AMB 20-1:1764 4.50 (# 1764:20 Double Ambig)
&rst
ixpk= 1764, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
igr1=1113,1114, 839, 840, 839, 840,1092,1093,
igr2=1107,1108,1668,1669,
&end
#
# 0 AMB 20-2:1765 0 AMB 20-1:1765 4.50 (# 1765:20 Double Ambig)
&rst
ixpk= 1765, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 262, 263,1674,1675,
igr2=1107,1108,1668,1669,
&end
#
# 107 LYS HA 107 LYS HG- 4.50 (# 1766:20 Unique 2.04, 2.78 A)
&rst
ixpk= 1766, nxpk= 20, iat=1663, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1668,1669,
&end
#
# 0 AMB 20-2:1767 0 AMB 20-1:1767 4.50 (# 1767:20 Double Ambig)
&rst
ixpk= 1767, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1100,1751,1752,1683,
igr2=1107,1108,1668,1669,
&end
#
# 73 LYS HA 73 LYS HG+ 5.50 (# 1768:20 Unique 2.06, 3.24 A)
&rst
ixpk= 1768, nxpk= 20, iat=1102, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1107,1108,
&end
#
# 99 LEU HN 100 VAL MGX 5.50 (# 1770:20 Unique 3.34, 5.65 A)
&rst
ixpk= 1770, nxpk= 20, iat=1531, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 101 GLY HN 100 VAL MGX 4.50 (# 1771:20 Unique 1.92, 3.70 A)
&rst
ixpk= 1771, nxpk= 20, iat=1566, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 105 LEU HA 105 LEU MDX 4.50 (# 1772:20 Unique 2.00, 3.17 A)
&rst
ixpk= 1772, nxpk= 20, iat=1623, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1630,1631,1632,1634,1635,1636,
&end
#
# 105 LEU HN 105 LEU MDX 4.50 (# 1773:20 Unique 2.58, 4.69 A)
&rst
ixpk= 1773, nxpk= 20, iat=1621, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1630,1631,1632,1634,1635,1636,
&end
#
# 109 THR HN 108 LEU MDX 4.50 (# 1774:20 Unique 3.58, 5.61 A)
&rst
ixpk= 1774, nxpk= 20, iat=1702, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 107 LYS HN 108 LEU MDX 5.50 (# 1775:20 Unique 4.92, 7.84 A)
&rst
ixpk= 1775, nxpk= 20, iat=1661, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 23 HIS HE1 108 LEU MDX 4.50 (# 1776:20 Unique 2.57, 5.05 A)
&rst
ixpk= 1776, nxpk= 20, iat= 391, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 108 LEU HN 108 LEU MDX 4.50 (# 1777:20 Unique 1.93, 4.67 A)
&rst
ixpk= 1777, nxpk= 20, iat=1683, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 57 LYS HB- 0 AMB 20-1:1780 4.50 (# 1780:20 Single Ambig)
&rst
ixpk= 1780, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 851, 852,
igr2= 854, 855, 854, 855,
&end
#
# 9 LYS HN 9 LYS HG+ 4.50 (# 1783:20 Unique 2.26, 3.73 A)
&rst
ixpk= 1783, nxpk= 20, iat= 131, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 138, 139,
&end
#
# 9 LYS HE+ 9 LYS HG+ 4.50 (# 1784:20 Unique 2.07, 3.06 A)
&rst
ixpk= 1784, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 144, 145,
igr2= 138, 139,
&end
#
# 79 LYS HB+ 79 LYS HG- 4.50 (# 1785:20 Unique 2.24, 2.59 A)
&rst
ixpk= 1785, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1208,1209,
igr2=1211,1212,
&end
#
# 79 LYS HA 79 LYS HG- 4.50 (# 1786:20 Unique 2.41, 3.28 A)
&rst
ixpk= 1786, nxpk= 20, iat=1206, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1211,1212,
&end
#
# 28 VAL HN 33 VAL MGX 4.50 (# 1787:20 Unique 2.44, 4.81 A)
&rst
ixpk= 1787, nxpk= 20, iat= 472, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 34 VAL HN 33 VAL MGX 4.50 (# 1788:20 Unique 2.94, 4.67 A)
&rst
ixpk= 1788, nxpk= 20, iat= 551, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 0 AMB 20-2:1789 0 AMB 20-1:1789 3.50 (# 1789:20 Double Ambig)
&rst
ixpk= 1789, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 567, 205,
igr2= 557, 558, 559, 561, 562, 563, 195, 196, 197, 199,
200, 201,
&end
#
# 79 LYS HA 79 LYS HG+ 5.50 (# 1790:20 Unique 2.41, 3.28 A)
&rst
ixpk= 1790, nxpk= 20, iat=1206, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1211,1212,
&end
#
# 36 LEU HB+ 36 LEU MDX 4.50 (# 1791:20 Unique 2.03, 3.45 A)
&rst
ixpk= 1791, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 588, 589,
igr2= 593, 594, 595, 597, 598, 599,
&end
#
# 0 AMB 20-2:1792 36 LEU MDX 4.50 (# 1792:20 Single Ambig)
&rst
ixpk= 1792, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1751,1752,1809,1813,
igr2= 593, 594, 595, 597, 598, 599,
&end
#
# 36 LEU HN 36 LEU MDX 5.50 (# 1793:20 Unique 2.85, 4.80 A)
&rst
ixpk= 1793, nxpk= 20, iat= 584, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 593, 594, 595, 597, 598, 599,
&end
#
# 0 AMB 20-2:1794 36 LEU MDX 4.50 (# 1794:20 Single Ambig)
&rst
ixpk= 1794, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 603,1683,
igr2= 593, 594, 595, 597, 598, 599,
&end
#
# 25 ALA HN 25 ALA MB 4.50 (# 1795:20 Unique 2.69, 3.40 A)
&rst
ixpk= 1795, nxpk= 20, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 426, 427, 428,
&end
#
# 83 LYS HN 83 LYS HG- 4.50 (# 1796:20 Unique 1.88, 2.85 A)
&rst
ixpk= 1796, nxpk= 20, iat=1267, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1274,1275,
&end
#
# 87 LEU HN 87 LEU MDX 4.50 (# 1797:20 Unique 2.21, 4.63 A)
&rst
ixpk= 1797, nxpk= 20, iat=1335, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1344,1345,1346,1348,1349,1350,
&end
#
# 57 LYS HE+ 105 LEU MDY 4.50 (# 1798:20 Unique 2.08, 5.41 A)
&rst
ixpk= 1798, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 860, 861,
igr2=1630,1631,1632,1634,1635,1636,
&end
#
# 0 AMB 20-2:1799 120 LEU MDX 4.50 (# 1799:20 Single Ambig)
&rst
ixpk= 1799, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1491,1835,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 63 GLU HG- 68 VAL MGX 5.50 (# 1800:20 Unique 3.92, 6.50 A)
&rst
ixpk= 1800, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 965, 966,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:1801 68 VAL MGX 4.50 (# 1801:20 Single Ambig)
&rst
ixpk= 1801, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1036,1037,1036,1037,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 68 VAL HA 68 VAL MGX 3.50 (# 1802:20 Unique 2.27, 3.11 A)
&rst
ixpk= 1802, nxpk= 20, iat=1046, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 63 GLU HN 34 VAL MGY 4.50 (# 1804:20 Unique 4.50, 6.02 A)
&rst
ixpk= 1804, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 557, 558, 559, 561, 562, 563,
&end
#
# 13 LEU HN 13 LEU MDY 4.50 (# 1805:20 Unique 1.93, 4.31 A)
&rst
ixpk= 1805, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 195, 196, 197, 199, 200, 201,
&end
#
# 116 PHE HE 34 VAL MGY 4.50 (# 1806:20 Unique 1.98, 5.29 A)
&rst
ixpk= 1806, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1809,1813,
igr2= 557, 558, 559, 561, 562, 563,
&end
#
# 35 HIS HE1 68 VAL MGX 4.50 (# 1807:20 Unique 2.72, 4.72 A)
&rst
ixpk= 1807, nxpk= 20, iat= 577, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 24 TRP HB- 25 ALA MB 4.50 (# 1808:20 Unique 5.32, 6.14 A)
&rst
ixpk= 1808, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 402, 403,
igr2= 426, 427, 428,
&end
#
# 0 AMB 20-2:1809 117 VAL MGY 5.50 (# 1809:20 Single Ambig)
&rst
ixpk= 1809, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1767,1849,
igr2=1825,1826,1827,1829,1830,1831,
&end
#
# 25 ALA MB 68 VAL MGX 4.50 (# 1811:20 Unique 2.53, 5.59 A)
&rst
ixpk= 1811, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 426, 427, 428,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 120 LEU HN 120 LEU MDX 4.50 (# 1812:20 Unique 2.61, 4.01 A)
&rst
ixpk= 1812, nxpk= 20, iat=1864, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 0 AMB 20-2:1813 108 LEU MDY 4.50 (# 1813:20 Single Ambig)
&rst
ixpk= 1813, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1683, 603,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 109 THR HN 109 THR MG2 4.50 (# 1814:20 Unique 2.40, 3.92 A)
&rst
ixpk= 1814, nxpk= 20, iat=1702, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1708,1709,1710,
&end
#
# 101 GLY HA+ 100 VAL MGY 5.50 (# 1815:20 Unique 3.12, 4.93 A)
&rst
ixpk= 1815, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1568,1569,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 31 GLY HA- 64 LEU MDX 4.50 (# 1816:20 Unique 1.99, 5.92 A)
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 509, 510,
igr2= 982, 983, 984, 986, 987, 988,
&end
#
# 32 TYR HA 64 LEU MDX 4.50 (# 1817:20 Unique 2.86, 5.51 A)
&rst
ixpk= 1817, nxpk= 20, iat= 516, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 982, 983, 984, 986, 987, 988,
&end
#
# 65 LEU HN 64 LEU MDX 4.50 (# 1818:20 Unique 2.63, 5.12 A)
&rst
ixpk= 1818, nxpk= 20, iat= 992, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 982, 983, 984, 986, 987, 988,
&end
#
# 64 LEU HN 64 LEU MDX 4.50 (# 1819:20 Unique 1.90, 4.47 A)
&rst
ixpk= 1819, nxpk= 20, iat= 973, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 982, 983, 984, 986, 987, 988,
&end
#
# 0 AMB 20-2:1822 65 LEU MDX 4.50 (# 1822:20 Single Ambig)
&rst
ixpk= 1822, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 215, 216,1048,
igr2=1001,1002,1003,1005,1006,1007,
&end
#
# 0 AMB 20-2:1823 65 LEU MDX 4.50 (# 1823:20 Single Ambig)
&rst
ixpk= 1823, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 459, 468,1132,1137,
igr2=1001,1002,1003,1005,1006,1007,
&end
#
# 69 ALA HN 65 LEU MDX 4.50 (# 1824:20 Unique 2.04, 4.75 A)
&rst
ixpk= 1824, nxpk= 20, iat=1060, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1001,1002,1003,1005,1006,1007,
&end
#
# 64 LEU HA 64 LEU MDX 3.50 (# 1825:20 Unique 1.96, 3.81 A)
&rst
ixpk= 1825, nxpk= 20, iat= 975, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 982, 983, 984, 986, 987, 988,
&end
#
# 12 ASP HB+ 76 VAL MGX 4.50 (# 1827:20 Unique 1.95, 4.20 A)
&rst
ixpk= 1827, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 178, 179,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 12 ASP HB- 76 VAL MGX 4.50 (# 1828:20 Unique 1.95, 4.20 A)
&rst
ixpk= 1828, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 178, 179,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 77 ASN HN 76 VAL MGX 4.50 (# 1829:20 Unique 2.91, 4.58 A)
&rst
ixpk= 1829, nxpk= 20, iat=1176, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 99 LEU HB- 60 VAL MGY 4.50 (# 1830:20 Unique 2.65, 4.86 A)
&rst
ixpk= 1830, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1535,1536,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 93 ILE HA 28 VAL MGX 4.50 (# 1831:20 Unique 2.42, 4.57 A)
&rst
ixpk= 1831, nxpk= 20, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 33 VAL HA 28 VAL MGX 4.50 (# 1832:20 Unique 2.10, 3.90 A)
&rst
ixpk= 1832, nxpk= 20, iat= 537, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 28 VAL HN 28 VAL MGX 4.50 (# 1833:20 Unique 2.34, 3.29 A)
&rst
ixpk= 1833, nxpk= 20, iat= 472, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 102 GLN HN 60 VAL MGY 4.50 (# 1834:20 Unique 3.23, 4.79 A)
&rst
ixpk= 1834, nxpk= 20, iat=1573, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 34 VAL HN 28 VAL MGX 4.50 (# 1835:20 Unique 2.84, 4.75 A)
&rst
ixpk= 1835, nxpk= 20, iat= 551, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 101 GLY HN 60 VAL MGY 5.50 (# 1836:20 Unique 3.28, 4.77 A)
&rst
ixpk= 1836, nxpk= 20, iat=1566, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 61 LYS HN 60 VAL MGY 4.50 (# 1837:20 Unique 2.15, 4.11 A)
&rst
ixpk= 1837, nxpk= 20, iat= 914, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 102 GLN HB+ 104 VAL MGX 5.50 (# 1838:20 Unique 4.00, 6.92 A)
&rst
ixpk= 1838, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1577,1578,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 61 LYS HB- 37 ALA MB 4.50 (# 1839:20 Unique 1.98, 3.86 A)
&rst
ixpk= 1839, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 918, 919,
igr2= 607, 608, 609,
&end
#
# 38 PRO HG+ 37 ALA MB 4.50 (# 1840:20 Unique 3.69, 5.04 A)
&rst
ixpk= 1840, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 617, 618,
igr2= 607, 608, 609,
&end
#
# 35 HIS HE1 37 ALA MB 4.50 (# 1841:20 Unique 3.03, 4.37 A)
&rst
ixpk= 1841, nxpk= 20, iat= 577, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 607, 608, 609,
&end
#
# 105 LEU HB+ 104 VAL MGX 5.50 (# 1842:20 Unique 4.68, 6.58 A)
&rst
ixpk= 1842, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1625,1626,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 106 TYR HN 104 VAL MGX 4.50 (# 1843:20 Unique 1.90, 3.98 A)
&rst
ixpk= 1843, nxpk= 20, iat=1640, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 106 TYR HE 104 VAL MGX 4.50 (# 1844:20 Unique 2.34, 4.16 A)
&rst
ixpk= 1844, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1650,1655,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 35 HIS HE1 68 VAL MGY 4.50 (# 1847:20 Unique 2.72, 4.72 A)
&rst
ixpk= 1847, nxpk= 20, iat= 577, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 68 VAL HN 68 VAL MGY 4.50 (# 1848:20 Unique 1.95, 3.77 A)
&rst
ixpk= 1848, nxpk= 20, iat=1044, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 117 VAL HA 117 VAL MGX 4.50 (# 1849:20 Unique 2.35, 3.47 A)
&rst
ixpk= 1849, nxpk= 20, iat=1821, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1825,1826,1827,1829,1830,1831,
&end
#
# 24 TRP HE3 117 VAL MGX 5.50 (# 1850:20 Unique 2.52, 4.51 A)
&rst
ixpk= 1850, nxpk= 20, iat= 417, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1825,1826,1827,1829,1830,1831,
&end
#
# 118 ASN HD2+ 117 VAL MGX 5.50 (# 1851:20 Unique 1.93, 5.16 A)
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1844,1845,
igr2=1825,1826,1827,1829,1830,1831,
&end
#
# 0 AMB 20-2:1853 125 ALA MB 4.50 (# 1853:20 Single Ambig)
&rst
ixpk= 1853, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1853,1854,1856,1857,
igr2=1955,1956,1957,
&end
#
# 119 GLU HG+ 125 ALA MB 4.50 (# 1854:20 Unique 1.99, 4.17 A)
&rst
ixpk= 1854, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1856,1857,
igr2=1955,1956,1957,
&end
#
# 115 HIS HA 125 ALA MB 5.50 (# 1856:20 Unique 2.05, 3.58 A)
&rst
ixpk= 1856, nxpk= 20, iat=1784, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1955,1956,1957,
&end
#
# 125 ALA HN 125 ALA MB 3.50 (# 1857:20 Unique 2.07, 2.96 A)
&rst
ixpk= 1857, nxpk= 20, iat=1951, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1955,1956,1957,
&end
#
# 0 AMB 20-2:1858 76 VAL MGY 3.50 (# 1858:20 Single Ambig)
&rst
ixpk= 1858, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1199,1200,1199,1200,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 76 VAL HN 76 VAL MGY 4.50 (# 1859:20 Unique 1.92, 3.66 A)
&rst
ixpk= 1859, nxpk= 20, iat=1160, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 13 LEU HN 76 VAL MGY 5.50 (# 1860:20 Unique 2.85, 5.70 A)
&rst
ixpk= 1860, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 104 VAL HA 104 VAL MGY 4.50 (# 1861:20 Unique 2.49, 3.50 A)
&rst
ixpk= 1861, nxpk= 20, iat=1607, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 0 AMB 20-2:1862 104 VAL MGY 4.50 (# 1862:20 Single Ambig)
&rst
ixpk= 1862, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 849,1642,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 106 TYR HN 104 VAL MGY 4.50 (# 1863:20 Unique 1.90, 3.98 A)
&rst
ixpk= 1863, nxpk= 20, iat=1640, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 103 GLU HA 104 VAL MGY 4.50 (# 1864:20 Unique 3.77, 4.90 A)
&rst
ixpk= 1864, nxpk= 20, iat=1592, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 125 ALA HN 124 VAL MGY 5.50 (# 1865:20 Unique 2.28, 4.33 A)
&rst
ixpk= 1865, nxpk= 20, iat=1951, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1941,1942,1943,1945,1946,1947,
&end
#
# 62 LYS HE- 28 VAL MGY 4.50 (# 1866:20 Unique 2.06, 4.80 A)
&rst
ixpk= 1866, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 949, 950,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 62 LYS HG+ 28 VAL MGY 4.50 (# 1867:20 Unique 3.00, 5.06 A)
&rst
ixpk= 1867, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 943, 944,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 93 ILE HG1+ 28 VAL MGY 4.50 (# 1868:20 Unique 3.14, 5.25 A)
&rst
ixpk= 1868, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1441,1442,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 32 TYR HD 28 VAL MGY 4.50 (# 1869:20 Unique 3.93, 6.38 A)
&rst
ixpk= 1869, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 522, 531,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 0 AMB 20-2:1870 28 VAL MGY 5.50 (# 1870:20 Single Ambig)
&rst
ixpk= 1870, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 535, 432,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 70 GLY HN 69 ALA MB 4.50 (# 1873:20 Unique 2.06, 3.11 A)
&rst
ixpk= 1873, nxpk= 20, iat=1070, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1064,1065,1066,
&end
#
# 74 TYR HD 69 ALA MB 3.50 (# 1874:20 Unique 2.45, 4.04 A)
&rst
ixpk= 1874, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1130,1139,
igr2=1064,1065,1066,
&end
#
# 74 TYR HE 69 ALA MB 4.50 (# 1875:20 Unique 2.44, 3.89 A)
&rst
ixpk= 1875, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1132,1137,
igr2=1064,1065,1066,
&end
#
# 74 TYR HB+ 69 ALA MB 4.50 (# 1876:20 Unique 3.03, 4.47 A)
&rst
ixpk= 1876, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1126,1127,
igr2=1064,1065,1066,
&end
#
# 66 TYR HA 69 ALA MB 4.50 (# 1877:20 Unique 3.58, 4.68 A)
&rst
ixpk= 1877, nxpk= 20, iat=1013, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1064,1065,1066,
&end
#
# 0 AMB 20-2:1878 96 ALA MB 5.50 (# 1878:20 Single Ambig)
&rst
ixpk= 1878, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1=1454,1455,1520,1521, 539,
igr2=1495,1496,1497,
&end
#
# 94 GLN HA 96 ALA MB 5.50 (# 1879:20 Unique 5.21, 6.27 A)
&rst
ixpk= 1879, nxpk= 20, iat=1452, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1495,1496,1497,
&end
#
# 3 ALA HA 3 ALA MB 4.50 (# 1880:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1880, nxpk= 20, iat= 47, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 49, 50, 51,
&end
#
# 65 LEU MDX 69 ALA MB 4.50 (# 1882:20 Unique 1.96, 4.57 A)
&rst
ixpk= 1882, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1001,1002,1003,1005,1006,1007,
igr2=1064,1065,1066,
&end
#
# 0 AMB 20-2:1883 69 ALA MB 3.50 (# 1883:20 Single Ambig)
&rst
ixpk= 1883, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1=1001,1002,1003,1005,1006,1007, 252, 253, 254,
igr2=1064,1065,1066,
&end
#
# 16 ILE QG2 69 ALA MB 4.50 (# 1884:20 Unique 1.99, 5.03 A)
&rst
ixpk= 1884, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 245, 246, 247,
igr2=1064,1065,1066,
&end
#
# 94 GLN HA 93 ILE QG2 4.50 (# 1885:20 Unique 3.69, 4.71 A)
&rst
ixpk= 1885, nxpk= 20, iat=1452, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1437,1438,1439,
&end
#
# 94 GLN HN 93 ILE QG2 4.50 (# 1886:20 Unique 3.57, 4.36 A)
&rst
ixpk= 1886, nxpk= 20, iat=1450, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1437,1438,1439,
&end
#
# 0 AMB 20-2:1887 93 ILE QG2 4.50 (# 1887:20 Single Ambig)
&rst
ixpk= 1887, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1431, 507,
igr2=1437,1438,1439,
&end
#
# 17 PHE HN 16 ILE QG2 4.50 (# 1888:20 Unique 2.15, 3.90 A)
&rst
ixpk= 1888, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 245, 246, 247,
&end
#
# 27 TYR HA 33 VAL MGY 4.50 (# 1890:20 Unique 1.87, 3.83 A)
&rst
ixpk= 1890, nxpk= 20, iat= 453, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 35 HIS HD2 33 VAL MGY 5.50 (# 1891:20 Unique 4.10, 6.60 A)
&rst
ixpk= 1891, nxpk= 20, iat= 580, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 15 GLU HN 14 ILE QG2 4.50 (# 1892:20 Unique 1.95, 3.10 A)
&rst
ixpk= 1892, nxpk= 20, iat= 224, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 211, 212, 213,
&end
#
# 14 ILE HN 14 ILE QG2 5.50 (# 1893:20 Unique 4.39, 4.68 A)
&rst
ixpk= 1893, nxpk= 20, iat= 205, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 211, 212, 213,
&end
#
# 11 GLY HA- 92 ILE QG2 4.50 (# 1894:20 Unique 1.97, 3.23 A)
&rst
ixpk= 1894, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 169, 170,
igr2=1418,1419,1420,
&end
#
# 0 AMB 20-2:1895 92 ILE QG2 5.50 (# 1895:20 Single Ambig)
&rst
ixpk= 1895, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1883,1450,
igr2=1418,1419,1420,
&end
#
# 92 ILE HN 92 ILE QG2 4.50 (# 1896:20 Unique 4.27, 4.52 A)
&rst
ixpk= 1896, nxpk= 20, iat=1412, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1418,1419,1420,
&end
#
# 5 ILE HA 5 ILE QG2 4.50 (# 1898:20 Unique 2.02, 2.89 A)
&rst
ixpk= 1898, nxpk= 20, iat= 71, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 75, 76, 77,
&end
#
# 101 GLY HA- 59 ILE QG2 5.50 (# 1899:20 Unique 4.69, 7.78 A)
&rst
ixpk= 1899, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1568,1569,
igr2= 885, 886, 887,
&end
#
# 39 PRO HA 59 ILE QG2 4.50 (# 1900:20 Unique 2.07, 3.05 A)
&rst
ixpk= 1900, nxpk= 20, iat= 637, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 885, 886, 887,
&end
#
# 0 AMB 20-2:1901 26 ILE QD1 3.50 (# 1901:20 Single Ambig)
&rst
ixpk= 1901, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 436,1887,1888,
igr2= 445, 446, 447,
&end
#
# 120 LEU HB- 26 ILE QD1 4.50 (# 1902:20 Unique 1.97, 3.24 A)
&rst
ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1868,1869,
igr2= 445, 446, 447,
&end
#
# 0 AMB 20-2:1903 26 ILE QD1 4.50 (# 1903:20 Single Ambig)
&rst
ixpk= 1903, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1885,1866,
igr2= 445, 446, 447,
&end
#
# 11 GLY HA- 26 ILE QD1 5.50 (# 1904:20 Unique 3.94, 5.79 A)
&rst
ixpk= 1904, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 169, 170,
igr2= 445, 446, 447,
&end
#
# 33 VAL HB 26 ILE QG2 5.50 (# 1905:20 Unique 3.55, 4.79 A)
&rst
ixpk= 1905, nxpk= 20, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 438, 439, 440,
&end
#
# 34 VAL HN 26 ILE QG2 4.50 (# 1906:20 Unique 1.84, 2.61 A)
&rst
ixpk= 1906, nxpk= 20, iat= 551, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 438, 439, 440,
&end
#
# 117 VAL MGY 26 ILE QG2 3.50 (# 1907:20 Unique 1.98, 6.04 A)
&rst
ixpk= 1907, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1825,1826,1827,1829,1830,1831,
igr2= 438, 439, 440,
&end
#
# 11 GLY HA+ 92 ILE QD1 5.50 (# 1908:20 Unique 1.98, 3.85 A)
&rst
ixpk= 1908, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 169, 170,
igr2=1425,1426,1427,
&end
#
# 11 GLY HA- 92 ILE QD1 4.50 (# 1909:20 Unique 1.98, 3.85 A)
&rst
ixpk= 1909, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 169, 170,
igr2=1425,1426,1427,
&end
#
# 92 ILE HN 92 ILE QD1 4.50 (# 1910:20 Unique 2.17, 3.83 A)
&rst
ixpk= 1910, nxpk= 20, iat=1412, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1425,1426,1427,
&end
#
# 65 LEU MDX 16 ILE QD1 4.50 (# 1911:20 Unique 2.17, 5.17 A)
&rst
ixpk= 1911, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1001,1002,1003,1005,1006,1007,
igr2= 252, 253, 254,
&end
#
# 73 LYS HN 16 ILE QD1 5.50 (# 1913:20 Unique 5.25, 7.01 A)
&rst
ixpk= 1913, nxpk= 20, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 252, 253, 254,
&end
#
# 39 PRO HA 59 ILE QD1 4.50 (# 1914:20 Unique 2.22, 3.50 A)
&rst
ixpk= 1914, nxpk= 20, iat= 637, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 892, 893, 894,
&end
#
# 59 ILE HN 59 ILE QD1 5.50 (# 1915:20 Unique 4.64, 5.07 A)
&rst
ixpk= 1915, nxpk= 20, iat= 879, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 892, 893, 894,
&end
#
# 90 SER HA 93 ILE QD1 4.50 (# 1916:20 Unique 2.66, 4.36 A)
&rst
ixpk= 1916, nxpk= 20, iat=1381, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1444,1445,1446,
&end
#
# 65 LEU MDX 14 ILE QD1 5.50 (# 1917:20 Unique 1.97, 4.94 A)
&rst
ixpk= 1917, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1001,1002,1003,1005,1006,1007,
igr2= 218, 219, 220,
&end
#
# 8 PRO HG+ 14 ILE QD1 4.50 (# 1918:20 Unique 4.25, 6.01 A)
&rst
ixpk= 1918, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 121, 122,
igr2= 218, 219, 220,
&end
#
# 8 PRO HB+ 14 ILE QD1 4.50 (# 1919:20 Unique 3.15, 4.55 A)
&rst
ixpk= 1919, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 124, 125,
igr2= 218, 219, 220,
&end
#
# 27 TYR HB- 14 ILE QD1 4.50 (# 1920:20 Unique 1.90, 3.56 A)
&rst
ixpk= 1920, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 455, 456,
igr2= 218, 219, 220,
&end
#
# 13 LEU HN 13 LEU HB+ 5.50 (# 1921:20 Unique 2.13, 2.92 A)
&rst
ixpk= 1921, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 190, 191,
&end
#
# 83 LYS HB+ 83 LYS HE- 4.50 (# 1923:20 Unique 2.14, 3.76 A)
&rst
ixpk= 1923, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1271,1272,
igr2=1280,1281,
&end
#
# 93 ILE HN 92 ILE HA 5.50 (# 1924:20 Unique 3.55, 3.56 A)
&rst
ixpk= 1924, nxpk= 20, iat=1431,1414, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 ILE HN 16 ILE HA 4.50 (# 1925:20 Unique 2.92, 2.93 A)
&rst
ixpk= 1925, nxpk= 20, iat= 239, 241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 119 GLU HN 119 GLU HA 3.50 (# 1926:20 Unique 2.79, 2.82 A)
&rst
ixpk= 1926, nxpk= 20, iat=1849,1851, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 5 ILE HG1- 5 ILE HA 4.50 (# 1927:20 Unique 2.79, 3.61 A)
&rst
ixpk= 1927, nxpk= 20, iat= -1, 71, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 79, 80,
&end
#
# 68 VAL HN 67 ASP HA 4.50 (# 1928:20 Unique 3.44, 3.49 A)
&rst
ixpk= 1928, nxpk= 20, iat=1044,1034, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 ILE HN 24 TRP HA 4.50 (# 1929:20 Unique 3.05, 3.17 A)
&rst
ixpk= 1929, nxpk= 20, iat= 239, 400, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 ALA HN 0 AMB 20-1:1930 4.50 (# 1930:20 Single Ambig)
&rst
ixpk= 1930, nxpk= 20, iat= 869, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1663,1685,
&end
#
# 83 LYS HN 82 ASP HA 4.50 (# 1931:20 Unique 3.39, 3.46 A)
&rst
ixpk= 1931, nxpk= 20, iat=1267,1257, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 7 GLU HG+ 7 GLU HA 4.50 (# 1932:20 Unique 2.20, 3.39 A)
&rst
ixpk= 1932, nxpk= 20, iat= -1, 104, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 109, 110,
&end
#
# 33 VAL MGX 27 TYR HB+ 5.50 (# 1935:20 Unique 3.12, 5.84 A)
&rst
ixpk= 1935, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 541, 542, 543, 545, 546, 547,
igr2= 455, 456,
&end
#
# 93 ILE HG1+ 93 ILE HB 3.50 (# 1936:20 Unique 2.32, 2.73 A)
&rst
ixpk= 1936, nxpk= 20, iat= -1,1435, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1441,1442,
&end
#
# 12 ASP HN 12 ASP HB+ 4.50 (# 1937:20 Unique 2.33, 3.10 A)
&rst
ixpk= 1937, nxpk= 20, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 178, 179,
&end
#
# 12 ASP HA 12 ASP HB+ 4.50 (# 1938:20 Unique 2.32, 2.74 A)
&rst
ixpk= 1938, nxpk= 20, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 178, 179,
&end
#
# 14 ILE HG1+ 14 ILE HA 5.50 (# 1939:20 Unique 2.99, 3.42 A)
&rst
ixpk= 1939, nxpk= 20, iat= -1, 207, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 215, 216,
&end
#
# 0 AMB 20-2:1940 14 ILE QD1 4.50 (# 1940:20 Single Ambig)
&rst
ixpk= 1940, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 178, 179,1126,1127,
igr2= 218, 219, 220,
&end
#
# 12 ASP HB- 14 ILE QD1 5.50 (# 1941:20 Unique 3.41, 4.75 A)
&rst
ixpk= 1941, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 178, 179,
igr2= 218, 219, 220,
&end
#
# 27 TYR HD 14 ILE QD1 4.50 (# 1942:20 Unique 1.95, 4.41 A)
&rst
ixpk= 1942, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 459, 468,
igr2= 218, 219, 220,
&end
#
# 27 TYR HN 14 ILE QD1 5.50 (# 1943:20 Unique 3.46, 4.70 A)
&rst
ixpk= 1943, nxpk= 20, iat= 451, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 218, 219, 220,
&end
#
# 13 LEU HN 12 ASP HB+ 5.50 (# 1944:20 Unique 2.06, 3.46 A)
&rst
ixpk= 1944, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 178, 179,
&end
#
# 57 LYS HA 105 LEU MDY 5.50 (# 1948:20 Unique 3.55, 5.57 A)
&rst
ixpk= 1948, nxpk= 20, iat= 849, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1630,1631,1632,1634,1635,1636,
&end
#
# 0 AMB 20-2:1949 0 AMB 20-1:1949 4.50 (# 1949:20 Double Ambig)
&rst
ixpk= 1949, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1621,1255,
igr2=1630,1631,1632,1634,1635,1636,1274,1275,
&end
#
# 83 LYS HN 83 LYS HG+ 5.50 (# 1950:20 Unique 1.88, 2.85 A)
&rst
ixpk= 1950, nxpk= 20, iat=1267, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1274,1275,
&end
#
# 121 ARG HD+ 13 LEU MDY 4.50 (# 1951:20 Unique 2.00, 4.94 A)
&rst
ixpk= 1951, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1893,1894,
igr2= 195, 196, 197, 199, 200, 201,
&end
#
# 14 ILE HB 14 ILE HG1+ 3.50 (# 1952:20 Unique 2.40, 2.46 A)
&rst
ixpk= 1952, nxpk= 20, iat= 209, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 215, 216,
&end
#
# 75 GLN HN 14 ILE QG2 4.50 (# 1953:20 Unique 3.22, 4.19 A)
&rst
ixpk= 1953, nxpk= 20, iat=1143, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 211, 212, 213,
&end
#
# 74 TYR HA 14 ILE QG2 5.50 (# 1954:20 Unique 4.79, 5.63 A)
&rst
ixpk= 1954, nxpk= 20, iat=1124, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 211, 212, 213,
&end
#
# 16 ILE HN 15 GLU HG- 5.50 (# 1957:20 Unique 2.42, 3.59 A)
&rst
ixpk= 1957, nxpk= 20, iat= 239, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 231, 232,
&end
#
# 16 ILE HN 16 ILE HB 4.50 (# 1958:20 Unique 2.51, 2.63 A)
&rst
ixpk= 1958, nxpk= 20, iat= 239, 243, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 16 ILE QD1 16 ILE HB 3.50 (# 1959:20 Unique 2.70, 3.85 A)
&rst
ixpk= 1959, nxpk= 20, iat= -1, 243, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 252, 253, 254,
&end
#
# 23 HIS HB- 16 ILE HB 3.50 (# 1960:20 Unique 1.99, 2.35 A)
&rst
ixpk= 1960, nxpk= 20, iat= -1, 243, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 385, 386,
&end
#
# 74 TYR HB+ 16 ILE HG1+ 4.50 (# 1961:20 Unique 1.99, 4.21 A)
&rst
ixpk= 1961, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1126,1127,
igr2= 249, 250,
&end
#
# 16 ILE HB 16 ILE QD1 3.50 (# 1962:20 Unique 2.70, 3.85 A)
&rst
ixpk= 1962, nxpk= 20, iat= 243, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 252, 253, 254,
&end
#
# 23 HIS HB- 16 ILE QD1 4.50 (# 1963:20 Unique 1.97, 5.19 A)
&rst
ixpk= 1963, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 385, 386,
igr2= 252, 253, 254,
&end
#
# 16 ILE HA 16 ILE QD1 5.50 (# 1964:20 Unique 2.32, 3.20 A)
&rst
ixpk= 1964, nxpk= 20, iat= 241, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 252, 253, 254,
&end
#
# 69 ALA HA 16 ILE QD1 5.50 (# 1965:20 Unique 1.95, 3.01 A)
&rst
ixpk= 1965, nxpk= 20, iat=1062, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 252, 253, 254,
&end
#
# 0 AMB 20-2:1966 16 ILE QG2 5.50 (# 1966:20 Single Ambig)
&rst
ixpk= 1966, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 282, 283,1104,1105,
igr2= 245, 246, 247,
&end
#
# 0 AMB 20-2:1967 16 ILE QG2 4.50 (# 1967:20 Single Ambig)
&rst
ixpk= 1967, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 385, 386, 288, 289,
igr2= 245, 246, 247,
&end
#
# 74 TYR HA 16 ILE QG2 5.50 (# 1968:20 Unique 3.63, 5.19 A)
&rst
ixpk= 1968, nxpk= 20, iat=1124, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 245, 246, 247,
&end
#
# 0 AMB 20-2:1969 16 ILE QG2 5.50 (# 1969:20 Single Ambig)
&rst
ixpk= 1969, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1100, 239,
igr2= 245, 246, 247,
&end
#
# 23 HIS HN 17 PHE HA 5.50 (# 1970:20 Unique 3.53, 3.97 A)
&rst
ixpk= 1970, nxpk= 20, iat= 381, 260, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 17 PHE HA 17 PHE HB+ 4.50 (# 1972:20 Unique 2.34, 2.79 A)
&rst
ixpk= 1972, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 262, 263,
&end
#
# 18 ARG HB+ 17 PHE HB+ 5.50 (# 1973:20 Unique 5.87, 6.62 A)
&rst
ixpk= 1973, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 282, 283,
igr2= 262, 263,
&end
#
# 17 PHE HN 17 PHE HB+ 5.50 (# 1974:20 Unique 2.12, 2.95 A)
&rst
ixpk= 1974, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 262, 263,
&end
#
# 18 ARG HG- 18 ARG HA 4.50 (# 1975:20 Unique 2.08, 2.62 A)
&rst
ixpk= 1975, nxpk= 20, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 285, 286,
&end
#
# 18 ARG HN 18 ARG HA 4.50 (# 1976:20 Unique 2.92, 2.94 A)
&rst
ixpk= 1976, nxpk= 20, iat= 278, 280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1977 0 AMB 20-1:1977 3.50 (# 1977:20 Double Ambig)
&rst
ixpk= 1977, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 499, 500,1092,1093,
igr2= 497, 280,
&end
#
# 18 ARG HN 18 ARG HB+ 4.50 (# 1978:20 Unique 2.21, 2.88 A)
&rst
ixpk= 1978, nxpk= 20, iat= 278, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 282, 283,
&end
#
# 18 ARG HD- 18 ARG HB+ 5.50 (# 1979:20 Unique 2.02, 2.89 A)
&rst
ixpk= 1979, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 288, 289,
igr2= 282, 283,
&end
#
# 95 ARG HD- 95 ARG HG+ 4.50 (# 1980:20 Unique 2.22, 2.71 A)
&rst
ixpk= 1980, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1477,1478,
igr2=1474,1475,
&end
#
# 18 ARG HG- 18 ARG HB+ 4.50 (# 1981:20 Unique 2.22, 2.72 A)
&rst
ixpk= 1981, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 285, 286,
igr2= 282, 283,
&end
#
# 38 PRO HB+ 108 LEU MDX 4.50 (# 1983:20 Unique 2.07, 5.22 A)
&rst
ixpk= 1983, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 620, 621,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 38 PRO HD- 108 LEU MDX 4.50 (# 1984:20 Unique 2.08, 4.52 A)
&rst
ixpk= 1984, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 614, 615,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 39 PRO HD+ 108 LEU MDX 5.50 (# 1985:20 Unique 3.30, 5.86 A)
&rst
ixpk= 1985, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 628, 629,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 0 AMB 20-2:1986 108 LEU MDX 5.50 (# 1986:20 Single Ambig)
&rst
ixpk= 1986, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1758, 637,
igr2=1692,1693,1694,1696,1697,1698,
&end
#
# 19 PRO HB+ 19 PRO HG+ 4.50 (# 1987:20 Unique 2.32, 2.58 A)
&rst
ixpk= 1987, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 309, 310,
igr2= 306, 307,
&end
#
# 38 PRO HA 39 PRO HD- 3.50 (# 1988:20 Unique 2.30, 2.39 A)
&rst
ixpk= 1988, nxpk= 20, iat= 623, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 628, 629,
&end
#
# 58 ALA HA 39 PRO HD- 4.50 (# 1989:20 Unique 1.98, 3.01 A)
&rst
ixpk= 1989, nxpk= 20, iat= 871, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 628, 629,
&end
#
# 22 ARG HN 21 TYR HB+ 4.50 (# 1990:20 Unique 1.79, 2.60 A)
&rst
ixpk= 1990, nxpk= 20, iat= 357, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 340, 341,
&end
#
# 22 ARG HN 21 TYR HB- 4.50 (# 1991:20 Unique 1.79, 2.60 A)
&rst
ixpk= 1991, nxpk= 20, iat= 357, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 340, 341,
&end
#
# 0 AMB 20-2:1994 0 AMB 20-1:1994 3.50 (# 1994:20 Double Ambig)
&rst
ixpk= 1994, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 357,1605,
igr2= 361, 362,1594,1595,
&end
#
# 0 AMB 20-2:1996 23 HIS HA 5.50 (# 1996:20 Single Ambig)
&rst
ixpk= 1996, nxpk= 20, iat= -1, 383, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 243, 364, 365,
&end
#
# 117 VAL MGX 24 TRP HB+ 4.50 (# 1997:20 Unique 2.30, 4.51 A)
&rst
ixpk= 1997, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1825,1826,1827,1829,1830,1831,
igr2= 402, 403,
&end
#
# 0 AMB 20-2:1998 24 TRP HB- 4.50 (# 1998:20 Single Ambig)
&rst
ixpk= 1998, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 417, 400,
igr2= 402, 403,
&end
#
# 0 AMB 20-2:1999 0 AMB 20-1:1999 4.50 (# 1999:20 Double Ambig)
&rst
ixpk= 1999, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 417, 400,
igr2= 402, 403, 402, 403,
&end
#
# 24 TRP HN 24 TRP HB+ 5.50 (# 2000:20 Unique 2.21, 2.88 A)
&rst
ixpk= 2000, nxpk= 20, iat= 398, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 402, 403,
&end
#
# 0 AMB 20-2:2002 25 ALA HA 2.80 (# 2002:20 Single Ambig)
&rst
ixpk= 2002, nxpk= 20, iat= -1, 424, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1825,1826,1827,1829,1830,1831, 426, 427, 428,
&end
#
# 35 HIS HB+ 25 ALA HA 3.50 (# 2003:20 Unique 2.48, 3.18 A)
&rst
ixpk= 2003, nxpk= 20, iat= -1, 424, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 571, 572,
&end
#
# 26 ILE HN 25 ALA HA 3.50 (# 2004:20 Unique 2.42, 2.55 A)
&rst
ixpk= 2004, nxpk= 20, iat= 432, 424, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 VAL HN 25 ALA MB 4.50 (# 2005:20 Unique 3.86, 5.15 A)
&rst
ixpk= 2005, nxpk= 20, iat= 551, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 426, 427, 428,
&end
#
# 0 AMB 20-2:2006 25 ALA MB 4.50 (# 2006:20 Single Ambig)
&rst
ixpk= 2006, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 537, 383,
igr2= 426, 427, 428,
&end
#
# 26 ILE HG1+ 26 ILE HB 2.80 (# 2007:20 Unique 2.52, 2.84 A)
&rst
ixpk= 2007, nxpk= 20, iat= -1, 436, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 442, 443,
&end
#
# 120 LEU MDY 26 ILE QD1 4.50 (# 2008:20 Unique 2.00, 4.90 A)
&rst
ixpk= 2008, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1873,1874,1875,1877,1878,1879,
igr2= 445, 446, 447,
&end
#
# 117 VAL HB 26 ILE QD1 5.50 (# 2009:20 Unique 2.00, 3.74 A)
&rst
ixpk= 2009, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 445, 446, 447,
&end
#
# 11 GLY HA+ 26 ILE QD1 5.50 (# 2010:20 Unique 3.94, 5.79 A)
&rst
ixpk= 2010, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 169, 170,
igr2= 445, 446, 447,
&end
#
# 26 ILE HA 26 ILE QD1 4.50 (# 2011:20 Unique 3.19, 4.02 A)
&rst
ixpk= 2011, nxpk= 20, iat= 434, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 445, 446, 447,
&end
#
# 0 AMB 20-2:2012 26 ILE QD1 4.50 (# 2012:20 Single Ambig)
&rst
ixpk= 2012, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 451, 167,
igr2= 445, 446, 447,
&end
#
# 121 ARG HN 26 ILE QD1 5.50 (# 2013:20 Unique 2.63, 3.82 A)
&rst
ixpk= 2013, nxpk= 20, iat=1883, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 445, 446, 447,
&end
#
# 117 VAL HB 26 ILE QG2 4.50 (# 2014:20 Unique 3.57, 5.09 A)
&rst
ixpk= 2014, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 438, 439, 440,
&end
#
# 0 AMB 20-2:2015 26 ILE QG2 4.50 (# 2015:20 Single Ambig)
&rst
ixpk= 2015, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 434, 553,
igr2= 438, 439, 440,
&end
#
# 33 VAL MGX 27 TYR HA 3.50 (# 2016:20 Unique 1.87, 3.83 A)
&rst
ixpk= 2016, nxpk= 20, iat= -1, 453, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 541, 542, 543, 545, 546, 547,
&end
#
# 0 AMB 20-2:2017 0 AMB 20-1:2017 4.50 (# 2017:20 Double Ambig)
&rst
ixpk= 2017, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 478, 479, 480, 482, 483, 484, 218, 219, 220,
igr2= 453, 516,
&end
#
# 0 AMB 20-2:2018 27 TYR HA 4.50 (# 2018:20 Single Ambig)
&rst
ixpk= 2018, nxpk= 20, iat= -1, 453, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 215, 216, 426, 427, 428,
&end
#
# 27 TYR HB+ 27 TYR HA 4.50 (# 2019:20 Unique 2.57, 2.80 A)
&rst
ixpk= 2019, nxpk= 20, iat= -1, 453, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 455, 456,
&end
#
# 64 LEU HA 32 TYR HA 3.50 (# 2020:20 Unique 2.21, 2.57 A)
&rst
ixpk= 2020, nxpk= 20, iat= 975, 516, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 VAL HA 27 TYR HA 3.50 (# 2021:20 Unique 2.51, 2.82 A)
&rst
ixpk= 2021, nxpk= 20, iat= 537, 453, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 VAL HN 27 TYR HA 3.50 (# 2022:20 Unique 2.14, 2.15 A)
&rst
ixpk= 2022, nxpk= 20, iat= 472, 453, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 VAL HN 32 TYR HA 3.50 (# 2023:20 Unique 2.14, 2.30 A)
&rst
ixpk= 2023, nxpk= 20, iat= 535, 516, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 ASN HD2+ 118 ASN HB+ 4.50 (# 2024:20 Unique 2.66, 3.52 A)
&rst
ixpk= 2024, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1844,1845,
igr2=1839,1840,
&end
#
# 28 VAL MGY 28 VAL HA 3.50 (# 2025:20 Unique 2.30, 3.56 A)
&rst
ixpk= 2025, nxpk= 20, iat= -1, 474, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 478, 479, 480, 482, 483, 484,
&end
#
# 0 AMB 20-2:2026 28 VAL HA 2.80 (# 2026:20 Single Ambig)
&rst
ixpk= 2026, nxpk= 20, iat= -1, 474, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1444,1445,1446, 478, 479, 480, 482, 483, 484,
&end
#
# 0 AMB 20-2:2027 28 VAL HA 3.50 (# 2027:20 Single Ambig)
&rst
ixpk= 2027, nxpk= 20, iat= -1, 474, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1437,1438,1439, 438, 439, 440,
&end
#
# 28 VAL HB 28 VAL HA 3.50 (# 2028:20 Unique 2.23, 2.33 A)
&rst
ixpk= 2028, nxpk= 20, iat= 476, 474, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 VAL HN 28 VAL HA 4.50 (# 2029:20 Unique 2.91, 2.94 A)
&rst
ixpk= 2029, nxpk= 20, iat= 472, 474, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 11 GLY HN 28 VAL HA 4.50 (# 2030:20 Unique 2.08, 2.30 A)
&rst
ixpk= 2030, nxpk= 20, iat= 167, 474, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 28 VAL HN 28 VAL HB 5.50 (# 2031:20 Unique 3.69, 3.78 A)
&rst
ixpk= 2031, nxpk= 20, iat= 472, 476, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 LYS HE- 28 VAL MGX 5.50 (# 2032:20 Unique 2.06, 4.80 A)
&rst
ixpk= 2032, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 949, 950,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 64 LEU MDX 31 GLY HA+ 4.50 (# 2033:20 Unique 1.99, 5.92 A)
&rst
ixpk= 2033, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 982, 983, 984, 986, 987, 988,
igr2= 509, 510,
&end
#
# 87 LEU MDY 123 GLY HA- 3.50 (# 2034:20 Unique 2.01, 4.73 A)
&rst
ixpk= 2034, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1344,1345,1346,1348,1349,1350,
igr2=1930,1931,
&end
#
# 0 AMB 20-2:2035 0 AMB 20-1:2035 5.50 (# 2035:20 Double Ambig)
&rst
ixpk= 2035, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 982, 983, 984, 986, 987, 988,1344,1345,1346,1348,
1349,1350,
igr2= 509, 510,1930,1931,
&end
#
# 123 GLY HN 123 GLY HA- 3.50 (# 2040:20 Unique 2.51, 2.79 A)
&rst
ixpk= 2040, nxpk= 20, iat=1928, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1930,1931,
&end
#
# 32 TYR HN 31 GLY HA+ 4.50 (# 2041:20 Unique 2.59, 3.19 A)
&rst
ixpk= 2041, nxpk= 20, iat= 514, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 509, 510,
&end
#
# 0 AMB 20-2:2044 0 AMB 20-1:2044 2.80 (# 2044:20 Double Ambig)
&rst
ixpk= 2044, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 854, 855, 854, 855,
igr2= 860, 861, 860, 861,
&end
#
# 0 AMB 20-2:2046 0 AMB 20-1:2046 2.80 (# 2046:20 Double Ambig)
&rst
ixpk= 2046, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1=1208,1209, 924, 925, 857, 858,1214,1215,
igr2=1217,1218, 927, 928, 860, 861,1217,1218,
&end
#
# 27 TYR HB+ 33 VAL MGX 5.50 (# 2047:20 Unique 3.12, 5.84 A)
&rst
ixpk= 2047, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 455, 456,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 33 VAL HN 33 VAL MGX 4.50 (# 2048:20 Unique 2.10, 3.48 A)
&rst
ixpk= 2048, nxpk= 20, iat= 535, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 0 AMB 20-2:2049 33 VAL MGY 4.50 (# 2049:20 Single Ambig)
&rst
ixpk= 2049, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 215, 216,1048,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 33 VAL HA 33 VAL MGY 4.50 (# 2050:20 Unique 2.24, 3.47 A)
&rst
ixpk= 2050, nxpk= 20, iat= 537, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 541, 542, 543, 545, 546, 547,
&end
#
# 0 AMB 20-2:2051 34 VAL HA 5.50 (# 2051:20 Single Ambig)
&rst
ixpk= 2051, nxpk= 20, iat= -1, 553, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1556,1557,1558,1560,1561,1562, 426, 427, 428,
&end
#
# 34 VAL HA 34 VAL HB 4.50 (# 2052:20 Unique 2.30, 2.96 A)
&rst
ixpk= 2052, nxpk= 20, iat= 553, 555, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 VAL HN 34 VAL HB 3.50 (# 2053:20 Unique 2.77, 2.87 A)
&rst
ixpk= 2053, nxpk= 20, iat= 551, 555, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 120 LEU MDY 34 VAL MGX 4.50 (# 2055:20 Unique 2.69, 6.12 A)
&rst
ixpk= 2055, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1873,1874,1875,1877,1878,1879,
igr2= 557, 558, 559, 561, 562, 563,
&end
#
# 26 ILE HB 34 VAL MGX 4.50 (# 2056:20 Unique 2.08, 5.92 A)
&rst
ixpk= 2056, nxpk= 20, iat= 436, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 557, 558, 559, 561, 562, 563,
&end
#
# 96 ALA HA 34 VAL MGX 4.50 (# 2057:20 Unique 2.87, 4.43 A)
&rst
ixpk= 2057, nxpk= 20, iat=1493, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 557, 558, 559, 561, 562, 563,
&end
#
# 62 LYS HA 34 VAL MGX 5.50 (# 2058:20 Unique 2.61, 4.32 A)
&rst
ixpk= 2058, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 557, 558, 559, 561, 562, 563,
&end
#
# 34 VAL HN 34 VAL MGX 4.50 (# 2059:20 Unique 1.99, 3.78 A)
&rst
ixpk= 2059, nxpk= 20, iat= 551, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 557, 558, 559, 561, 562, 563,
&end
#
# 116 PHE HE 34 VAL MGX 3.50 (# 2060:20 Unique 1.98, 5.29 A)
&rst
ixpk= 2060, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1809,1813,
igr2= 557, 558, 559, 561, 562, 563,
&end
#
# 62 LYS HA 34 VAL MGY 4.50 (# 2061:20 Unique 2.61, 4.32 A)
&rst
ixpk= 2061, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 557, 558, 559, 561, 562, 563,
&end
#
# 0 AMB 20-2:2062 0 AMB 20-1:2062 3.50 (# 2062:20 Double Ambig)
&rst
ixpk= 2062, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 553, 434,
igr2= 557, 558, 559, 561, 562, 563, 195, 196, 197, 199,
200, 201,
&end
#
# 36 LEU HN 35 HIS HB+ 4.50 (# 2064:20 Unique 2.17, 3.10 A)
&rst
ixpk= 2064, nxpk= 20, iat= 584, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 571, 572,
&end
#
# 0 AMB 20-2:2065 36 LEU HA 4.50 (# 2065:20 Single Ambig)
&rst
ixpk= 2065, nxpk= 20, iat= -1, 586, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 914, 567,
&end
#
# 36 LEU MDX 36 LEU HB+ 4.50 (# 2066:20 Unique 2.03, 3.45 A)
&rst
ixpk= 2066, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 593, 594, 595, 597, 598, 599,
igr2= 588, 589,
&end
#
# 36 LEU HG 36 LEU HB+ 3.50 (# 2067:20 Unique 2.24, 2.48 A)
&rst
ixpk= 2067, nxpk= 20, iat= 591, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 588, 589,
&end
#
# 36 LEU HG 36 LEU HB- 3.50 (# 2069:20 Unique 2.24, 2.48 A)
&rst
ixpk= 2069, nxpk= 20, iat= 591, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 588, 589,
&end
#
# 36 LEU MDY 36 LEU HB+ 4.50 (# 2070:20 Unique 2.03, 3.45 A)
&rst
ixpk= 2070, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 593, 594, 595, 597, 598, 599,
igr2= 588, 589,
&end
#
# 108 LEU MDX 36 LEU HB+ 4.50 (# 2071:20 Unique 1.97, 4.60 A)
&rst
ixpk= 2071, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1692,1693,1694,1696,1697,1698,
igr2= 588, 589,
&end
#
# 108 LEU MDX 36 LEU HB- 3.50 (# 2072:20 Unique 1.97, 4.60 A)
&rst
ixpk= 2072, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1692,1693,1694,1696,1697,1698,
igr2= 588, 589,
&end
#
# 36 LEU HA 36 LEU HB+ 4.50 (# 2073:20 Unique 2.67, 2.84 A)
&rst
ixpk= 2073, nxpk= 20, iat= 586, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 588, 589,
&end
#
# 36 LEU MDY 36 LEU HG 3.50 (# 2074:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2074, nxpk= 20, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 593, 594, 595, 597, 598, 599,
&end
#
# 36 LEU HB+ 36 LEU HG 4.50 (# 2075:20 Unique 2.24, 2.48 A)
&rst
ixpk= 2075, nxpk= 20, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 588, 589,
&end
#
# 116 PHE HB+ 36 LEU HG 4.50 (# 2076:20 Unique 2.63, 3.37 A)
&rst
ixpk= 2076, nxpk= 20, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1803,1804,
&end
#
# 116 PHE HB- 36 LEU HG 4.50 (# 2077:20 Unique 2.63, 3.37 A)
&rst
ixpk= 2077, nxpk= 20, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1803,1804,
&end
#
# 36 LEU HA 36 LEU HG 4.50 (# 2078:20 Unique 2.74, 3.46 A)
&rst
ixpk= 2078, nxpk= 20, iat= 586, 591, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 106 TYR HD 36 LEU HG 5.50 (# 2080:20 Unique 2.47, 5.47 A)
&rst
ixpk= 2080, nxpk= 20, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1648,1657,
&end
#
# 116 PHE HD 36 LEU HG 5.50 (# 2081:20 Unique 2.71, 4.85 A)
&rst
ixpk= 2081, nxpk= 20, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1807,1815,
&end
#
# 0 AMB 20-2:2082 36 LEU HG 4.50 (# 2082:20 Single Ambig)
&rst
ixpk= 2082, nxpk= 20, iat= -1, 591, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 584,1767,
&end
#
# 0 AMB 20-2:2083 36 LEU MDX 3.50 (# 2083:20 Single Ambig)
&rst
ixpk= 2083, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 904, 905, 906, 908, 909, 910,1692,1693,1694,1696,
1697,1698,
igr2= 593, 594, 595, 597, 598, 599,
&end
#
# 37 ALA MB 37 ALA HA 2.80 (# 2086:20 Unique 2.23, 2.63 A)
&rst
ixpk= 2086, nxpk= 20, iat= -1, 605, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 607, 608, 609,
&end
#
# 108 LEU MDX 37 ALA HA 3.50 (# 2087:20 Unique 2.00, 3.81 A)
&rst
ixpk= 2087, nxpk= 20, iat= -1, 605, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1692,1693,1694,1696,1697,1698,
&end
#
# 38 PRO HD- 37 ALA HA 3.50 (# 2088:20 Unique 2.27, 2.43 A)
&rst
ixpk= 2088, nxpk= 20, iat= -1, 605, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 614, 615,
&end
#
# 38 PRO HD+ 37 ALA HA 2.80 (# 2089:20 Unique 2.27, 2.43 A)
&rst
ixpk= 2089, nxpk= 20, iat= -1, 605, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 614, 615,
&end
#
# 37 ALA HN 37 ALA HA 4.50 (# 2090:20 Unique 2.93, 2.94 A)
&rst
ixpk= 2090, nxpk= 20, iat= 603, 605, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 LEU HA 37 ALA MB 4.50 (# 2091:20 Unique 4.18, 5.01 A)
&rst
ixpk= 2091, nxpk= 20, iat= 586, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 607, 608, 609,
&end
#
# 59 ILE HN 37 ALA MB 5.50 (# 2092:20 Unique 4.41, 5.21 A)
&rst
ixpk= 2092, nxpk= 20, iat= 879, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 607, 608, 609,
&end
#
# 0 AMB 20-2:2093 0 AMB 20-1:2093 5.50 (# 2093:20 Double Ambig)
&rst
ixpk= 2093, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 628, 629, 89, 90,
igr2= 637, 98,
&end
#
# 0 AMB 20-2:2094 4 PRO HD- 3.50 (# 2094:20 Single Ambig)
&rst
ixpk= 2094, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 65, 71,
igr2= 56, 57,
&end
#
# 0 AMB 20-2:2095 0 AMB 20-1:2095 2.80 (# 2095:20 Double Ambig)
&rst
ixpk= 2095, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
igr1= 643, 783, 739, 280,
igr2= 645, 646, 785, 786, 741, 742,1081,1082,
&end
#
# 7 GLU HA 7 GLU HB+ 3.50 (# 2096:20 Unique 2.29, 2.63 A)
&rst
ixpk= 2096, nxpk= 20, iat= 104, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 106, 107,
&end
#
# 42 VAL HN 42 VAL MGY 4.50 (# 2097:20 Unique 1.95, 3.51 A)
&rst
ixpk= 2097, nxpk= 20, iat= 667, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 673, 674, 675, 677, 678, 679,
&end
#
# 0 AMB 20-2:2098 43 ALA HA 4.50 (# 2098:20 Single Ambig)
&rst
ixpk= 2098, nxpk= 20, iat= -1, 685, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 671, 656, 657,
&end
#
# 51 MET HG+ 51 MET HA 4.50 (# 2101:20 Unique 2.02, 2.88 A)
&rst
ixpk= 2101, nxpk= 20, iat= -1, 766, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 771, 772,
&end
#
# 51 MET HA 51 MET HB- 3.50 (# 2103:20 Unique 2.37, 2.75 A)
&rst
ixpk= 2103, nxpk= 20, iat= 766, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 768, 769,
&end
#
# 51 MET HA 51 MET HB+ 4.50 (# 2104:20 Unique 2.37, 2.75 A)
&rst
ixpk= 2104, nxpk= 20, iat= 766, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 768, 769,
&end
#
# 55 THR HN 54 LEU HA 4.50 (# 2105:20 Unique 2.14, 2.84 A)
&rst
ixpk= 2105, nxpk= 20, iat= 821, 804, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 54 LEU MDY 54 LEU HB- 3.50 (# 2106:20 Unique 2.00, 3.31 A)
&rst
ixpk= 2106, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 811, 812, 813, 815, 816, 817,
igr2= 806, 807,
&end
#
# 0 AMB 20-2:2107 0 AMB 20-1:2107 4.50 (# 2107:20 Double Ambig)
&rst
ixpk= 2107, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 804, 280,
igr2= 809, 282, 283,
&end
#
# 54 LEU HA 54 LEU MDY 5.50 (# 2108:20 Unique 2.03, 3.91 A)
&rst
ixpk= 2108, nxpk= 20, iat= 804, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 811, 812, 813, 815, 816, 817,
&end
#
# 56 ASP HA 55 THR HA 4.50 (# 2109:20 Unique 4.38, 4.52 A)
&rst
ixpk= 2109, nxpk= 20, iat= 837, 823, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 LYS HN 55 THR HA 5.50 (# 2110:20 Unique 3.75, 4.33 A)
&rst
ixpk= 2110, nxpk= 20, iat= 847, 823, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 55 THR HN 55 THR HA 5.50 (# 2111:20 Unique 2.79, 2.88 A)
&rst
ixpk= 2111, nxpk= 20, iat= 821, 823, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 LYS HG+ 56 ASP HA 4.50 (# 2113:20 Unique 1.98, 3.20 A)
&rst
ixpk= 2113, nxpk= 20, iat= -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1668,1669,
&end
#
# 107 LYS HA 56 ASP HA 4.50 (# 2115:20 Unique 2.61, 3.49 A)
&rst
ixpk= 2115, nxpk= 20, iat=1663, 837, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 LYS HN 57 LYS HB- 4.50 (# 2116:20 Unique 2.32, 3.22 A)
&rst
ixpk= 2116, nxpk= 20, iat= 847, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 851, 852,
&end
#
# 57 LYS HN 57 LYS HB+ 4.50 (# 2117:20 Unique 2.32, 3.22 A)
&rst
ixpk= 2117, nxpk= 20, iat= 847, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 851, 852,
&end
#
# 58 ALA HN 57 LYS HB- 3.50 (# 2118:20 Unique 2.11, 3.41 A)
&rst
ixpk= 2118, nxpk= 20, iat= 869, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 851, 852,
&end
#
# 58 ALA HN 57 LYS HB+ 3.50 (# 2119:20 Unique 2.11, 3.41 A)
&rst
ixpk= 2119, nxpk= 20, iat= 869, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 851, 852,
&end
#
# 57 LYS HE+ 57 LYS HG+ 4.50 (# 2120:20 Unique 2.05, 3.11 A)
&rst
ixpk= 2120, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 860, 861,
igr2= 854, 855,
&end
#
# 57 LYS HA 57 LYS HG+ 4.50 (# 2121:20 Unique 2.04, 3.11 A)
&rst
ixpk= 2121, nxpk= 20, iat= 849, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 854, 855,
&end
#
# 57 LYS HN 57 LYS HG+ 4.50 (# 2122:20 Unique 1.96, 3.97 A)
&rst
ixpk= 2122, nxpk= 20, iat= 847, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 854, 855,
&end
#
# 79 LYS HG+ 79 LYS HD+ 2.80 (# 2123:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2123, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1211,1212,
igr2=1214,1215,
&end
#
# 79 LYS HG- 79 LYS HD+ 3.50 (# 2124:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2124, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1211,1212,
igr2=1214,1215,
&end
#
# 60 VAL HN 59 ILE HB 4.50 (# 2125:20 Unique 2.15, 2.44 A)
&rst
ixpk= 2125, nxpk= 20, iat= 898, 883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 ILE HA 59 ILE QD1 4.50 (# 2126:20 Unique 4.32, 5.01 A)
&rst
ixpk= 2126, nxpk= 20, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 892, 893, 894,
&end
#
# 103 GLU HG- 59 ILE QD1 4.50 (# 2127:20 Unique 2.00, 4.89 A)
&rst
ixpk= 2127, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1597,1598,
igr2= 892, 893, 894,
&end
#
# 104 VAL HN 59 ILE QD1 5.50 (# 2128:20 Unique 6.06, 7.05 A)
&rst
ixpk= 2128, nxpk= 20, iat=1605, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 892, 893, 894,
&end
#
# 0 AMB 20-2:2130 59 ILE QG2 5.50 (# 2130:20 Single Ambig)
&rst
ixpk= 2130, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1605, 869,
igr2= 885, 886, 887,
&end
#
# 59 ILE HN 59 ILE QG2 4.50 (# 2131:20 Unique 2.99, 3.82 A)
&rst
ixpk= 2131, nxpk= 20, iat= 879, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 885, 886, 887,
&end
#
# 48 ALA MB 50 VAL HA 4.50 (# 2132:20 Unique 3.46, 5.56 A)
&rst
ixpk= 2132, nxpk= 20, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 731, 732, 733,
&end
#
# 39 PRO HD+ 38 PRO HB+ 4.50 (# 2133:20 Unique 2.08, 3.16 A)
&rst
ixpk= 2133, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 628, 629,
igr2= 620, 621,
&end
#
# 60 VAL HA 60 VAL MGX 3.50 (# 2134:20 Unique 2.25, 3.11 A)
&rst
ixpk= 2134, nxpk= 20, iat= 900, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 60 VAL HN 60 VAL MGX 5.50 (# 2135:20 Unique 2.34, 4.04 A)
&rst
ixpk= 2135, nxpk= 20, iat= 898, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 101 GLY HN 60 VAL MGX 4.50 (# 2136:20 Unique 3.28, 4.77 A)
&rst
ixpk= 2136, nxpk= 20, iat=1566, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 100 VAL HA 60 VAL MGY 5.50 (# 2137:20 Unique 2.00, 3.63 A)
&rst
ixpk= 2137, nxpk= 20, iat=1552, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 904, 905, 906, 908, 909, 910,
&end
#
# 61 LYS HG- 61 LYS HB- 3.50 (# 2138:20 Unique 2.34, 2.70 A)
&rst
ixpk= 2138, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 921, 922,
igr2= 918, 919,
&end
#
# 61 LYS HG+ 61 LYS HB- 5.50 (# 2139:20 Unique 2.34, 2.70 A)
&rst
ixpk= 2139, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 921, 922,
igr2= 918, 919,
&end
#
# 61 LYS HG- 61 LYS HB+ 4.50 (# 2140:20 Unique 2.34, 2.70 A)
&rst
ixpk= 2140, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 921, 922,
igr2= 918, 919,
&end
#
# 37 ALA MB 61 LYS HB+ 4.50 (# 2141:20 Unique 1.98, 3.86 A)
&rst
ixpk= 2141, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 607, 608, 609,
igr2= 918, 919,
&end
#
# 0 AMB 20-2:2142 0 AMB 20-1:2142 4.50 (# 2142:20 Double Ambig)
&rst
ixpk= 2142, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 965, 966, 962, 963,
igr2= 918, 919, 918, 919,
&end
#
# 0 AMB 20-2:2143 61 LYS HB- 3.50 (# 2143:20 Single Ambig)
&rst
ixpk= 2143, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 965, 966, 962, 963,
igr2= 918, 919,
&end
#
# 61 LYS HN 61 LYS HB- 4.50 (# 2144:20 Unique 2.49, 3.14 A)
&rst
ixpk= 2144, nxpk= 20, iat= 914, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 918, 919,
&end
#
# 61 LYS HE- 61 LYS HG+ 4.50 (# 2146:20 Unique 2.19, 3.22 A)
&rst
ixpk= 2146, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 927, 928,
igr2= 921, 922,
&end
#
# 61 LYS HN 61 LYS HG- 5.50 (# 2147:20 Unique 2.44, 4.15 A)
&rst
ixpk= 2147, nxpk= 20, iat= 914, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 921, 922,
&end
#
# 24 TRP HZ2 79 LYS HD+ 5.50 (# 2149:20 Unique 2.05, 3.84 A)
&rst
ixpk= 2149, nxpk= 20, iat= 411, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1214,1215,
&end
#
# 0 AMB 20-2:2150 0 AMB 20-1:2150 3.50 (# 2150:20 Double Ambig)
&rst
ixpk= 2150, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1630,1631,1632,1634,1635,1636, 885, 886, 887,
igr2= 860, 861, 927, 928,
&end
#
# 33 VAL HN 32 TYR HB- 4.50 (# 2153:20 Unique 1.80, 3.48 A)
&rst
ixpk= 2153, nxpk= 20, iat= 535, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 518, 519,
&end
#
# 62 LYS HA 62 LYS HB+ 4.50 (# 2155:20 Unique 2.37, 2.71 A)
&rst
ixpk= 2155, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 940, 941,
&end
#
# 62 LYS HN 62 LYS HB+ 5.50 (# 2156:20 Unique 2.54, 2.95 A)
&rst
ixpk= 2156, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 940, 941,
&end
#
# 28 VAL MGY 62 LYS HG+ 4.50 (# 2157:20 Unique 3.00, 5.06 A)
&rst
ixpk= 2157, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 478, 479, 480, 482, 483, 484,
igr2= 943, 944,
&end
#
# 36 LEU HB+ 36 LEU MDY 4.50 (# 2158:20 Unique 2.03, 3.45 A)
&rst
ixpk= 2158, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 588, 589,
igr2= 593, 594, 595, 597, 598, 599,
&end
#
# 62 LYS HA 62 LYS HG+ 5.50 (# 2159:20 Unique 2.47, 2.94 A)
&rst
ixpk= 2159, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 943, 944,
&end
#
# 32 TYR HD 62 LYS HG+ 5.50 (# 2160:20 Unique 2.34, 4.70 A)
&rst
ixpk= 2160, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 522, 531,
igr2= 943, 944,
&end
#
# 63 GLU HB+ 63 GLU HA 3.50 (# 2161:20 Unique 2.51, 2.79 A)
&rst
ixpk= 2161, nxpk= 20, iat= -1, 960, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 962, 963,
&end
#
# 0 AMB 20-2:2162 63 GLU HA 2.80 (# 2162:20 Single Ambig)
&rst
ixpk= 2162, nxpk= 20, iat= -1, 960, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 965, 966, 962, 963,
&end
#
# 63 GLU HG- 63 GLU HA 3.50 (# 2163:20 Unique 2.24, 2.74 A)
&rst
ixpk= 2163, nxpk= 20, iat= -1, 960, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 965, 966,
&end
#
# 84 TYR HB- 84 TYR HA 3.50 (# 2164:20 Unique 2.33, 2.61 A)
&rst
ixpk= 2164, nxpk= 20, iat= -1,1291, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1293,1294,
&end
#
# 63 GLU HN 63 GLU HA 3.50 (# 2165:20 Unique 2.88, 2.89 A)
&rst
ixpk= 2165, nxpk= 20, iat= 958, 960, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 LEU HN 63 GLU HA 3.50 (# 2166:20 Unique 2.44, 2.46 A)
&rst
ixpk= 2166, nxpk= 20, iat= 973, 960, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 85 SER HN 84 TYR HA 2.80 (# 2167:20 Unique 2.19, 2.61 A)
&rst
ixpk= 2167, nxpk= 20, iat=1310,1291, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 84 TYR HD 84 TYR HA 3.50 (# 2168:20 Unique 1.86, 3.72 A)
&rst
ixpk= 2168, nxpk= 20, iat= -1,1291, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1297,1306,
&end
#
# 61 LYS HB+ 63 GLU HG- 5.50 (# 2169:20 Unique 3.53, 5.31 A)
&rst
ixpk= 2169, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 918, 919,
igr2= 965, 966,
&end
#
# 0 AMB 20-2:2170 0 AMB 20-1:2170 4.50 (# 2170:20 Double Ambig)
&rst
ixpk= 2170, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 918, 919, 924, 925,
igr2= 965, 966, 965, 966,
&end
#
# 64 LEU HN 63 GLU HG- 5.50 (# 2171:20 Unique 3.60, 4.28 A)
&rst
ixpk= 2171, nxpk= 20, iat= 973, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 965, 966,
&end
#
# 68 VAL HB 65 LEU HA 3.50 (# 2172:20 Unique 1.92, 2.06 A)
&rst
ixpk= 2172, nxpk= 20, iat=1048, 994, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 VAL HN 65 LEU HA 5.50 (# 2173:20 Unique 2.95, 3.06 A)
&rst
ixpk= 2173, nxpk= 20, iat=1044, 994, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 LEU HA 65 LEU HB+ 4.50 (# 2174:20 Unique 2.60, 2.83 A)
&rst
ixpk= 2174, nxpk= 20, iat= 994, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 996, 997,
&end
#
# 64 LEU HA 64 LEU HB+ 4.50 (# 2175:20 Unique 2.44, 2.81 A)
&rst
ixpk= 2175, nxpk= 20, iat= 975, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 977, 978,
&end
#
# 0 AMB 20-2:2176 87 LEU HB- 4.50 (# 2176:20 Single Ambig)
&rst
ixpk= 2176, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1885,1322,1323,1866,
igr2=1339,1340,
&end
#
# 66 TYR HN 0 AMB 20-1:2177 4.50 (# 2177:20 Single Ambig)
&rst
ixpk= 2177, nxpk= 20, iat=1011, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 977, 978, 996, 997,
&end
#
# 0 AMB 20-2:2178 0 AMB 20-1:2178 5.50 (# 2178:20 Double Ambig)
&rst
ixpk= 2178, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 71, 65,
igr2= 79, 80, 79, 80,
&end
#
# 8 PRO HA 8 PRO HG- 5.50 (# 2179:20 Unique 3.85, 3.94 A)
&rst
ixpk= 2179, nxpk= 20, iat= 127, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 121, 122,
&end
#
# 65 LEU HA 65 LEU MDY 4.50 (# 2181:20 Unique 2.19, 3.92 A)
&rst
ixpk= 2181, nxpk= 20, iat= 994, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1001,1002,1003,1005,1006,1007,
&end
#
# 65 LEU HN 65 LEU MDY 5.50 (# 2183:20 Unique 4.07, 5.13 A)
&rst
ixpk= 2183, nxpk= 20, iat= 992, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1001,1002,1003,1005,1006,1007,
&end
#
# 65 LEU MDY 66 TYR HA 5.50 (# 2184:20 Unique 3.48, 5.84 A)
&rst
ixpk= 2184, nxpk= 20, iat= -1,1013, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1001,1002,1003,1005,1006,1007,
&end
#
# 69 ALA HN 66 TYR HA 5.50 (# 2185:20 Unique 3.87, 4.33 A)
&rst
ixpk= 2185, nxpk= 20, iat=1060,1013, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 ASP HN 67 ASP HB- 3.50 (# 2186:20 Unique 2.16, 2.67 A)
&rst
ixpk= 2186, nxpk= 20, iat=1032, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1036,1037,
&end
#
# 68 VAL HN 0 AMB 20-1:2187 4.50 (# 2187:20 Single Ambig)
&rst
ixpk= 2187, nxpk= 20, iat=1044, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1036,1037,1036,1037,
&end
#
# 69 ALA HN 68 VAL MGX 4.50 (# 2188:20 Unique 3.11, 4.31 A)
&rst
ixpk= 2188, nxpk= 20, iat=1060, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 69 ALA HN 68 VAL MGY 5.50 (# 2189:20 Unique 3.11, 4.31 A)
&rst
ixpk= 2189, nxpk= 20, iat=1060, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 73 LYS HB- 72 ASP HA 4.50 (# 2190:20 Unique 4.32, 5.31 A)
&rst
ixpk= 2190, nxpk= 20, iat= -1,1090, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1104,1105,
&end
#
# 72 ASP HB- 72 ASP HA 3.50 (# 2191:20 Unique 2.34, 2.74 A)
&rst
ixpk= 2191, nxpk= 20, iat= -1,1090, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1092,1093,
&end
#
# 72 ASP HN 72 ASP HA 4.50 (# 2192:20 Unique 2.28, 2.78 A)
&rst
ixpk= 2192, nxpk= 20, iat=1088,1090, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 LYS HN 72 ASP HA 3.50 (# 2193:20 Unique 2.53, 2.77 A)
&rst
ixpk= 2193, nxpk= 20, iat=1100,1090, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 ASP HN 72 ASP HB+ 4.50 (# 2194:20 Unique 2.17, 3.21 A)
&rst
ixpk= 2194, nxpk= 20, iat=1088, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1092,1093,
&end
#
# 73 LYS HG+ 73 LYS HB- 4.50 (# 2195:20 Unique 2.21, 2.68 A)
&rst
ixpk= 2195, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1107,1108,
igr2=1104,1105,
&end
#
# 0 AMB 20-2:2196 73 LYS HB- 3.50 (# 2196:20 Single Ambig)
&rst
ixpk= 2196, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1110,1111,1107,1108,
igr2=1104,1105,
&end
#
# 73 LYS HN 73 LYS HB- 3.50 (# 2197:20 Unique 2.18, 3.22 A)
&rst
ixpk= 2197, nxpk= 20, iat=1100, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1104,1105,
&end
#
# 0 AMB 20-2:2198 100 VAL MGX 5.50 (# 2198:20 Single Ambig)
&rst
ixpk= 2198, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 902,1508,1509,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 62 LYS HN 100 VAL MGX 5.50 (# 2199:20 Unique 2.55, 4.32 A)
&rst
ixpk= 2199, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 56 ASP HA 107 LYS HE+ 5.50 (# 2200:20 Unique 2.35, 4.82 A)
&rst
ixpk= 2200, nxpk= 20, iat= 837, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1674,1675,
&end
#
# 74 TYR HD 74 TYR HA 4.50 (# 2201:20 Unique 3.79, 4.18 A)
&rst
ixpk= 2201, nxpk= 20, iat= -1,1124, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1130,1139,
&end
#
# 74 TYR HD 75 GLN HA 4.50 (# 2202:20 Unique 3.13, 5.13 A)
&rst
ixpk= 2202, nxpk= 20, iat= -1,1145, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1130,1139,
&end
#
# 76 VAL HA 76 VAL HB 3.50 (# 2203:20 Unique 2.35, 2.42 A)
&rst
ixpk= 2203, nxpk= 20, iat=1162,1164, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 ASP HB- 76 VAL MGY 4.50 (# 2204:20 Unique 1.95, 4.20 A)
&rst
ixpk= 2204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 178, 179,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 12 ASP HA 76 VAL MGY 5.50 (# 2205:20 Unique 3.91, 6.16 A)
&rst
ixpk= 2205, nxpk= 20, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1166,1167,1168,1170,1171,1172,
&end
#
# 78 ASN HA 78 ASN HB- 4.50 (# 2209:20 Unique 2.30, 2.72 A)
&rst
ixpk= 2209, nxpk= 20, iat=1192, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1194,1195,
&end
#
# 78 ASN HA 78 ASN HB+ 4.50 (# 2210:20 Unique 2.30, 2.72 A)
&rst
ixpk= 2210, nxpk= 20, iat=1192, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1194,1195,
&end
#
# 0 AMB 20-2:2211 78 ASN HB- 3.50 (# 2211:20 Single Ambig)
&rst
ixpk= 2211, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1199,1200,1199,1200,
igr2=1194,1195,
&end
#
# 78 ASN HD2+ 78 ASN HB+ 3.50 (# 2212:20 Unique 2.11, 3.39 A)
&rst
ixpk= 2212, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1199,1200,
igr2=1194,1195,
&end
#
# 78 ASN HN 78 ASN HB- 4.50 (# 2213:20 Unique 2.18, 3.09 A)
&rst
ixpk= 2213, nxpk= 20, iat=1190, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1194,1195,
&end
#
# 78 ASN HN 78 ASN HB+ 4.50 (# 2214:20 Unique 2.18, 3.09 A)
&rst
ixpk= 2214, nxpk= 20, iat=1190, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1194,1195,
&end
#
# 79 LYS HA 79 LYS HB- 4.50 (# 2215:20 Unique 2.39, 2.77 A)
&rst
ixpk= 2215, nxpk= 20, iat=1206, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1208,1209,
&end
#
# 79 LYS HE+ 79 LYS HG- 4.50 (# 2217:20 Unique 2.00, 3.26 A)
&rst
ixpk= 2217, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1217,1218,
igr2=1211,1212,
&end
#
# 79 LYS HE+ 79 LYS HG+ 4.50 (# 2218:20 Unique 2.00, 3.26 A)
&rst
ixpk= 2218, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1217,1218,
igr2=1211,1212,
&end
#
# 125 ALA MB 115 HIS HB+ 4.50 (# 2220:20 Unique 2.83, 4.82 A)
&rst
ixpk= 2220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1955,1956,1957,
igr2=1786,1787,
&end
#
# 80 HIS HA 80 HIS HB+ 4.50 (# 2221:20 Unique 2.38, 2.74 A)
&rst
ixpk= 2221, nxpk= 20, iat=1228, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1230,1231,
&end
#
# 84 TYR HD 80 HIS HB- 4.50 (# 2222:20 Unique 1.99, 4.68 A)
&rst
ixpk= 2222, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1297,1306,
igr2=1230,1231,
&end
#
# 84 TYR HB+ 81 ASP HA 5.50 (# 2225:20 Unique 4.13, 5.56 A)
&rst
ixpk= 2225, nxpk= 20, iat= -1,1245, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1293,1294,
&end
#
# 81 ASP HB+ 81 ASP HA 2.80 (# 2226:20 Unique 2.46, 2.78 A)
&rst
ixpk= 2226, nxpk= 20, iat= -1,1245, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1247,1248,
&end
#
# 83 LYS HN 81 ASP HA 4.50 (# 2229:20 Unique 3.94, 4.10 A)
&rst
ixpk= 2229, nxpk= 20, iat=1267,1245, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 ASP HN 81 ASP HA 4.50 (# 2230:20 Unique 2.87, 2.89 A)
&rst
ixpk= 2230, nxpk= 20, iat=1243,1245, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:2231 81 ASP HA 4.50 (# 2231:20 Single Ambig)
&rst
ixpk= 2231, nxpk= 20, iat= -1,1245, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1255,1310,
&end
#
# 84 TYR HN 81 ASP HA 4.50 (# 2232:20 Unique 3.55, 3.66 A)
&rst
ixpk= 2232, nxpk= 20, iat=1289,1245, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 122 TYR HN 122 TYR HB- 5.50 (# 2233:20 Unique 2.31, 2.92 A)
&rst
ixpk= 2233, nxpk= 20, iat=1907, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1911,1912,
&end
#
# 82 ASP HN 82 ASP HA 3.50 (# 2234:20 Unique 2.93, 2.94 A)
&rst
ixpk= 2234, nxpk= 20, iat=1255,1257, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 LYS HN 82 ASP HB+ 4.50 (# 2235:20 Unique 2.83, 3.40 A)
&rst
ixpk= 2235, nxpk= 20, iat=1267, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1259,1260,
&end
#
# 83 LYS HG+ 83 LYS HE+ 4.50 (# 2236:20 Unique 2.03, 3.10 A)
&rst
ixpk= 2236, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1274,1275,
igr2=1280,1281,
&end
#
# 84 TYR HN 84 TYR HB+ 4.50 (# 2237:20 Unique 2.33, 3.44 A)
&rst
ixpk= 2237, nxpk= 20, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1293,1294,
&end
#
# 84 TYR HN 84 TYR HB- 4.50 (# 2238:20 Unique 2.33, 3.44 A)
&rst
ixpk= 2238, nxpk= 20, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1293,1294,
&end
#
# 85 SER HB+ 85 SER HA 2.80 (# 2239:20 Unique 2.31, 2.63 A)
&rst
ixpk= 2239, nxpk= 20, iat= -1,1312, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1314,1315,
&end
#
# 38 PRO HB+ 38 PRO HD- 5.50 (# 2242:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2242, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 620, 621,
igr2= 614, 615,
&end
#
# 92 ILE HB 89 CYS HB+ 5.50 (# 2243:20 Unique 4.45, 4.87 A)
&rst
ixpk= 2243, nxpk= 20, iat=1416, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1372,1373,
&end
#
# 90 SER HA 89 CYS HB+ 5.50 (# 2244:20 Unique 3.98, 4.65 A)
&rst
ixpk= 2244, nxpk= 20, iat=1381, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1372,1373,
&end
#
# 90 SER HA 90 SER HB- 3.50 (# 2248:20 Unique 2.42, 2.80 A)
&rst
ixpk= 2248, nxpk= 20, iat=1381, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1383,1384,
&end
#
# 89 CYS HB+ 93 ILE QD1 5.50 (# 2250:20 Unique 2.12, 4.48 A)
&rst
ixpk= 2250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1372,1373,
igr2=1444,1445,1446,
&end
#
# 93 ILE HN 93 ILE QD1 4.50 (# 2252:20 Unique 2.32, 3.91 A)
&rst
ixpk= 2252, nxpk= 20, iat=1431, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1444,1445,1446,
&end
#
# 28 VAL HB 93 ILE QD1 4.50 (# 2253:20 Unique 1.95, 4.14 A)
&rst
ixpk= 2253, nxpk= 20, iat= 476, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1444,1445,1446,
&end
#
# 28 VAL HA 93 ILE QG2 4.50 (# 2254:20 Unique 3.13, 4.50 A)
&rst
ixpk= 2254, nxpk= 20, iat= 474, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1437,1438,1439,
&end
#
# 99 LEU HN 97 GLU HA 5.50 (# 2255:20 Unique 3.84, 4.05 A)
&rst
ixpk= 2255, nxpk= 20, iat=1531,1503, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2256 0 AMB 20-1:2256 4.50 (# 2256:20 Double Ambig)
&rst
ixpk= 2256, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 478, 479, 480, 482, 483, 484, 982, 983, 984, 986,
987, 988,
igr2=1508,1509, 962, 963,
&end
#
# 98 GLU HA 98 GLU HG+ 4.50 (# 2257:20 Unique 2.34, 2.97 A)
&rst
ixpk= 2257, nxpk= 20, iat=1518, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1523,1524,
&end
#
# 97 GLU HA 97 GLU HG- 3.50 (# 2258:20 Unique 2.46, 3.39 A)
&rst
ixpk= 2258, nxpk= 20, iat=1503, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1508,1509,
&end
#
# 98 GLU HB+ 98 GLU HG- 3.50 (# 2259:20 Unique 2.30, 2.68 A)
&rst
ixpk= 2259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1520,1521,
igr2=1523,1524,
&end
#
# 60 VAL MGX 99 LEU HB- 3.50 (# 2260:20 Unique 2.65, 4.86 A)
&rst
ixpk= 2260, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 904, 905, 906, 908, 909, 910,
igr2=1535,1536,
&end
#
# 60 VAL MGY 99 LEU HB+ 4.50 (# 2261:20 Unique 2.65, 4.86 A)
&rst
ixpk= 2261, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 904, 905, 906, 908, 909, 910,
igr2=1535,1536,
&end
#
# 99 LEU HG 99 LEU HB+ 4.50 (# 2262:20 Unique 2.36, 2.73 A)
&rst
ixpk= 2262, nxpk= 20, iat=1538, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1535,1536,
&end
#
# 100 VAL HN 99 LEU HB+ 5.50 (# 2263:20 Unique 2.44, 3.33 A)
&rst
ixpk= 2263, nxpk= 20, iat=1550, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1535,1536,
&end
#
# 0 AMB 20-2:2265 100 VAL MGY 4.50 (# 2265:20 Single Ambig)
&rst
ixpk= 2265, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 902,1508,1509,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 101 GLY HA- 100 VAL MGY 4.50 (# 2266:20 Unique 3.12, 4.93 A)
&rst
ixpk= 2266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1568,1569,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 100 VAL HN 100 VAL MGY 4.50 (# 2267:20 Unique 2.02, 3.86 A)
&rst
ixpk= 2267, nxpk= 20, iat=1550, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1556,1557,1558,1560,1561,1562,
&end
#
# 102 GLN HE2+ 102 GLN HG+ 4.50 (# 2268:20 Unique 2.12, 3.22 A)
&rst
ixpk= 2268, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1585,1586,
igr2=1580,1581,
&end
#
# 59 ILE QG2 103 GLU HA 3.50 (# 2269:20 Unique 1.95, 3.26 A)
&rst
ixpk= 2269, nxpk= 20, iat= -1,1592, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 885, 886, 887,
&end
#
# 103 GLU HB+ 103 GLU HA 3.50 (# 2270:20 Unique 2.33, 2.71 A)
&rst
ixpk= 2270, nxpk= 20, iat= -1,1592, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1594,1595,
&end
#
# 103 GLU HG+ 103 GLU HA 3.50 (# 2271:20 Unique 2.62, 2.97 A)
&rst
ixpk= 2271, nxpk= 20, iat= -1,1592, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1597,1598,
&end
#
# 103 GLU HG- 103 GLU HA 3.50 (# 2272:20 Unique 2.62, 2.97 A)
&rst
ixpk= 2272, nxpk= 20, iat= -1,1592, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1597,1598,
&end
#
# 103 GLU HN 103 GLU HA 3.50 (# 2273:20 Unique 2.94, 2.94 A)
&rst
ixpk= 2273, nxpk= 20, iat=1590,1592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 104 VAL HN 103 GLU HA 2.80 (# 2274:20 Unique 2.14, 2.15 A)
&rst
ixpk= 2274, nxpk= 20, iat=1605,1592, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 VAL HN 103 GLU HA 4.50 (# 2275:20 Unique 3.13, 3.55 A)
&rst
ixpk= 2275, nxpk= 20, iat= 898,1592, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 108 LEU HN 107 LYS HB+ 3.50 (# 2276:20 Unique 1.89, 2.98 A)
&rst
ixpk= 2276, nxpk= 20, iat=1683, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1665,1666,
&end
#
# 106 TYR HD 104 VAL MGY 4.50 (# 2278:20 Unique 2.04, 4.90 A)
&rst
ixpk= 2278, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1648,1657,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 0 AMB 20-2:2279 107 LYS HA 4.50 (# 2279:20 Single Ambig)
&rst
ixpk= 2279, nxpk= 20, iat= -1,1663, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 839, 840, 839, 840,
&end
#
# 107 LYS HN 107 LYS HG+ 5.50 (# 2280:20 Unique 2.24, 3.82 A)
&rst
ixpk= 2280, nxpk= 20, iat=1661, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1668,1669,
&end
#
# 107 LYS HN 107 LYS HG- 5.50 (# 2281:20 Unique 2.24, 3.82 A)
&rst
ixpk= 2281, nxpk= 20, iat=1661, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1668,1669,
&end
#
# 109 THR MG2 109 THR HB 3.50 (# 2282:20 Unique 2.23, 2.64 A)
&rst
ixpk= 2282, nxpk= 20, iat= -1,1706, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1708,1709,1710,
&end
#
# 112 ASN HN 112 ASN HB- 4.50 (# 2284:20 Unique 2.07, 2.87 A)
&rst
ixpk= 2284, nxpk= 20, iat=1742, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1746,1747,
&end
#
# 116 PHE HA 116 PHE HB+ 4.50 (# 2285:20 Unique 2.24, 2.64 A)
&rst
ixpk= 2285, nxpk= 20, iat=1801, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1803,1804,
&end
#
# 116 PHE HD 116 PHE HB- 4.50 (# 2286:20 Unique 2.28, 3.04 A)
&rst
ixpk= 2286, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1807,1815,
igr2=1803,1804,
&end
#
# 118 ASN HA 118 ASN HB- 4.50 (# 2288:20 Unique 2.56, 2.84 A)
&rst
ixpk= 2288, nxpk= 20, iat=1837, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1839,1840,
&end
#
# 119 GLU HN 118 ASN HB- 5.50 (# 2289:20 Unique 2.73, 3.17 A)
&rst
ixpk= 2289, nxpk= 20, iat=1849, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1839,1840,
&end
#
# 118 ASN HN 118 ASN HB- 3.50 (# 2290:20 Unique 2.08, 2.78 A)
&rst
ixpk= 2290, nxpk= 20, iat=1835, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1839,1840,
&end
#
# 121 ARG HD- 121 ARG HB+ 5.50 (# 2292:20 Unique 1.94, 3.16 A)
&rst
ixpk= 2292, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1893,1894,
igr2=1887,1888,
&end
#
# 13 LEU HG 121 ARG HD- 4.50 (# 2294:20 Unique 1.96, 3.59 A)
&rst
ixpk= 2294, nxpk= 20, iat= 193, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1893,1894,
&end
#
# 121 ARG HB+ 121 ARG HD- 4.50 (# 2295:20 Unique 1.94, 3.16 A)
&rst
ixpk= 2295, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1887,1888,
igr2=1893,1894,
&end
#
# 121 ARG HN 121 ARG HD- 4.50 (# 2297:20 Unique 2.14, 4.77 A)
&rst
ixpk= 2297, nxpk= 20, iat=1883, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1893,1894,
&end
#
# 0 AMB 20-2:2298 122 TYR HA 3.50 (# 2298:20 Single Ambig)
&rst
ixpk= 2298, nxpk= 20, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1342,1339,1340,
&end
#
# 122 TYR HB+ 122 TYR HA 4.50 (# 2300:20 Unique 2.23, 2.71 A)
&rst
ixpk= 2300, nxpk= 20, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1911,1912,
&end
#
# 122 TYR HB- 122 TYR HA 3.50 (# 2301:20 Unique 2.23, 2.71 A)
&rst
ixpk= 2301, nxpk= 20, iat= -1,1909, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1911,1912,
&end
#
# 122 TYR HN 122 TYR HA 4.50 (# 2303:20 Unique 2.91, 2.94 A)
&rst
ixpk= 2303, nxpk= 20, iat=1907,1909, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 122 TYR HN 122 TYR HB+ 4.50 (# 2304:20 Unique 2.31, 2.92 A)
&rst
ixpk= 2304, nxpk= 20, iat=1907, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1911,1912,
&end
#
# 125 ALA HN 124 VAL MGX 4.50 (# 2305:20 Unique 2.28, 4.33 A)
&rst
ixpk= 2305, nxpk= 20, iat=1951, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1941,1942,1943,1945,1946,1947,
&end
#
# 9 LYS HN 9 LYS HB+ 4.50 (# 2306:20 Unique 2.12, 2.94 A)
&rst
ixpk= 2306, nxpk= 20, iat= 131, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 135, 136,
&end
#
# 14 ILE HN 14 ILE HG1- 4.50 (# 2307:20 Unique 2.12, 3.42 A)
&rst
ixpk= 2307, nxpk= 20, iat= 205, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 215, 216,
&end
#
# 91 LYS HN 91 LYS HG- 5.50 (# 2308:20 Unique 2.40, 3.24 A)
&rst
ixpk= 2308, nxpk= 20, iat=1390, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1397,1398,
&end
#
# 64 LEU HA 64 LEU HB- 4.50 (# 2309:20 Unique 2.44, 2.81 A)
&rst
ixpk= 2309, nxpk= 20, iat= 975, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 977, 978,
&end
#
# 101 GLY HA- 100 VAL HA 4.50 (# 2310:20 Unique 4.42, 4.49 A)
&rst
ixpk= 2310, nxpk= 20, iat= -1,1552, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1568,1569,
&end
#
# 90 SER HA 90 SER HB+ 2.80 (# 2313:20 Unique 2.42, 2.80 A)
&rst
ixpk= 2313, nxpk= 20, iat=1381, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1383,1384,
&end
#
# 39 PRO HB- 39 PRO HG- 3.50 (# 2315:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2315, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 634, 635,
igr2= 631, 632,
&end
#
# 5 ILE QG2 5 ILE HA 3.50 (# 2316:20 Unique 2.02, 2.89 A)
&rst
ixpk= 2316, nxpk= 20, iat= -1, 71, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 75, 76, 77,
&end
#
# 89 CYS HB+ 92 ILE HB 5.50 (# 2317:20 Unique 4.45, 4.87 A)
&rst
ixpk= 2317, nxpk= 20, iat= -1,1416, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1372,1373,
&end
#
# 60 VAL HN 59 ILE QD1 4.50 (# 2318:20 Unique 3.93, 4.81 A)
&rst
ixpk= 2318, nxpk= 20, iat= 898, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 892, 893, 894,
&end
#
# 61 LYS HE+ 59 ILE QD1 5.50 (# 2319:20 Unique 1.99, 4.49 A)
&rst
ixpk= 2319, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 927, 928,
igr2= 892, 893, 894,
&end
#
# 12 ASP HB+ 76 VAL HA 4.50 (# 2320:20 Unique 4.71, 5.25 A)
&rst
ixpk= 2320, nxpk= 20, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 178, 179,
&end
#
# 0 AMB 20-2:2321 6 PRO HD- 4.50 (# 2321:20 Single Ambig)
&rst
ixpk= 2321, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 59, 60, 59, 60,
igr2= 89, 90,
&end
#
# 57 LYS HG- 105 LEU HA 4.50 (# 2322:20 Unique 1.99, 3.48 A)
&rst
ixpk= 2322, nxpk= 20, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 854, 855,
&end
#
# 7 GLU HA 7 GLU HG- 4.50 (# 2323:20 Unique 2.20, 3.39 A)
&rst
ixpk= 2323, nxpk= 20, iat= 104, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 109, 110,
&end
#
# 6 PRO HD+ 6 PRO HB- 3.50 (# 2325:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 89, 90,
igr2= 95, 96,
&end
#
# 0 AMB 20-2:2329 14 ILE QD1 4.50 (# 2329:20 Single Ambig)
&rst
ixpk= 2329, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 209, 996, 997,
igr2= 218, 219, 220,
&end
#
# 15 GLU HA 15 GLU HG+ 4.50 (# 2330:20 Unique 2.19, 3.06 A)
&rst
ixpk= 2330, nxpk= 20, iat= 226, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 231, 232,
&end
#
# 17 PHE HN 17 PHE HB- 4.50 (# 2331:20 Unique 2.12, 2.95 A)
&rst
ixpk= 2331, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 262, 263,
&end
#
# 17 PHE HA 17 PHE HB- 4.50 (# 2332:20 Unique 2.34, 2.79 A)
&rst
ixpk= 2332, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 262, 263,
&end
#
# 18 ARG HB+ 17 PHE HB- 5.50 (# 2333:20 Unique 5.87, 6.62 A)
&rst
ixpk= 2333, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 282, 283,
igr2= 262, 263,
&end
#
# 21 TYR HD 21 TYR HB- 3.50 (# 2335:20 Unique 2.30, 3.06 A)
&rst
ixpk= 2335, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 344, 353,
igr2= 340, 341,
&end
#
# 0 AMB 20-2:2337 0 AMB 20-1:2337 4.50 (# 2337:20 Double Ambig)
&rst
ixpk= 2337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 124, 125,1416,
igr2= 121, 122,1422,1423,
&end
#
# 117 VAL HB 117 VAL MGY 3.50 (# 2340:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2340, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1825,1826,1827,1829,1830,1831,
&end
#
# 0 AMB 20-2:2341 0 AMB 20-1:2341 3.50 (# 2341:20 Double Ambig)
&rst
ixpk= 2341, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 436,1690,
igr2=1825,1826,1827,1829,1830,1831, 873, 874, 875,1692,
1693,1694,1696,1697,1698,
&end
#
# 14 ILE HB 25 ALA MB 3.50 (# 2342:20 Unique 1.99, 3.31 A)
&rst
ixpk= 2342, nxpk= 20, iat= 209, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 426, 427, 428,
&end
#
# 36 LEU HG 0 AMB 20-1:2343 3.50 (# 2343:20 Single Ambig)
&rst
ixpk= 2343, nxpk= 20, iat= 591, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1692,1693,1694,1696,1697,1698, 873, 874, 875,
&end
#
# 0 AMB 20-2:2344 117 VAL MGY 5.50 (# 2344:20 Single Ambig)
&rst
ixpk= 2344, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1803,1804,1893,1894,
igr2=1825,1826,1827,1829,1830,1831,
&end
#
# 32 TYR HB- 32 TYR HA 4.50 (# 2345:20 Unique 2.27, 2.77 A)
&rst
ixpk= 2345, nxpk= 20, iat= -1, 516, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 518, 519,
&end
#
# 34 VAL MGX 35 HIS HA 4.50 (# 2346:20 Unique 3.37, 5.70 A)
&rst
ixpk= 2346, nxpk= 20, iat= -1, 569, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 557, 558, 559, 561, 562, 563,
&end
#
# 0 AMB 20-2:2348 36 LEU MDX 4.50 (# 2348:20 Single Ambig)
&rst
ixpk= 2348, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
igr1= 873, 874, 875,1692,1693,1694,1696,1697,1698,
igr2= 593, 594, 595, 597, 598, 599,
&end
#
# 7 GLU HN 6 PRO HB+ 5.50 (# 2349:20 Unique 2.00, 3.58 A)
&rst
ixpk= 2349, nxpk= 20, iat= 102, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 95, 96,
&end
#
# 39 PRO HD- 39 PRO HB+ 4.50 (# 2351:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2351, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 628, 629,
igr2= 634, 635,
&end
#
# 0 AMB 20-2:2352 0 AMB 20-1:2352 3.50 (# 2352:20 Double Ambig)
&rst
ixpk= 2352, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1337, 637,
igr2=1394,1395, 634, 635,
&end
#
# 0 AMB 20-2:2354 0 AMB 20-1:2354 3.50 (# 2354:20 Double Ambig)
&rst
ixpk= 2354, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 656, 657, 656, 657,
igr2= 659, 660, 659, 660,
&end
#
# 0 AMB 20-2:2355 0 AMB 20-1:2355 4.50 (# 2355:20 Double Ambig)
&rst
ixpk= 2355, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 656, 657, 656, 657,
igr2= 659, 660, 659, 660,
&end
#
# 0 AMB 20-2:2356 0 AMB 20-1:2356 3.50 (# 2356:20 Double Ambig)
&rst
ixpk= 2356, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 669, 750,
igr2= 673, 674, 675, 677, 678, 679, 754, 755, 756, 758,
759, 760,
&end
#
# 0 AMB 20-2:2357 0 AMB 20-1:2357 4.50 (# 2357:20 Double Ambig)
&rst
ixpk= 2357, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 702, 685,
igr2= 695, 696, 695, 696, 712, 713,
&end
#
# 0 AMB 20-2:2358 0 AMB 20-1:2358 2.80 (# 2358:20 Double Ambig)
&rst
ixpk= 2358, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 643, 783, 739,
igr2= 645, 646, 785, 786, 741, 742,
&end
#
# 54 LEU HG 54 LEU HA 3.50 (# 2360:20 Unique 2.19, 3.10 A)
&rst
ixpk= 2360, nxpk= 20, iat= 809, 804, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 ASP HB- 14 ILE HG1- 4.50 (# 2362:20 Unique 4.54, 5.65 A)
&rst
ixpk= 2362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 178, 179,
igr2= 215, 216,
&end
#
# 0 AMB 20-2:2363 14 ILE HG1- 4.50 (# 2363:20 Single Ambig)
&rst
ixpk= 2363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 190, 191,1126,1127,
igr2= 215, 216,
&end
#
# 57 LYS HN 55 THR MG2 5.50 (# 2364:20 Unique 1.95, 5.27 A)
&rst
ixpk= 2364, nxpk= 20, iat= 847, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 827, 828, 829,
&end
#
# 63 GLU HN 68 VAL MGX 5.50 (# 2367:20 Unique 2.32, 4.43 A)
&rst
ixpk= 2367, nxpk= 20, iat= 958, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:2368 117 VAL HA 3.50 (# 2368:20 Single Ambig)
&rst
ixpk= 2368, nxpk= 20, iat= -1,1821, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
igr1=1871,1825,1826,1827,1829,1830,1831,
&end
#
# 117 VAL HN 116 PHE HA 4.50 (# 2369:20 Unique 3.55, 3.57 A)
&rst
ixpk= 2369, nxpk= 20, iat=1819,1801, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 GLN HN 90 SER HA 5.50 (# 2371:20 Unique 3.41, 3.89 A)
&rst
ixpk= 2371, nxpk= 20, iat=1450,1381, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 93 ILE HN 90 SER HA 5.50 (# 2372:20 Unique 3.60, 3.85 A)
&rst
ixpk= 2372, nxpk= 20, iat=1431,1381, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 ASP HN 66 TYR HA 4.50 (# 2373:20 Unique 3.43, 3.52 A)
&rst
ixpk= 2373, nxpk= 20, iat=1032,1013, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 96 ALA MB 97 GLU HA 4.50 (# 2374:20 Unique 3.85, 4.80 A)
&rst
ixpk= 2374, nxpk= 20, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1495,1496,1497,
&end
#
# 34 VAL MGY 97 GLU HA 4.50 (# 2375:20 Unique 3.80, 5.46 A)
&rst
ixpk= 2375, nxpk= 20, iat= -1,1503, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 557, 558, 559, 561, 562, 563,
&end
#
# 113 CYS HB- 114 GLU HA 5.50 (# 2376:20 Unique 3.90, 4.35 A)
&rst
ixpk= 2376, nxpk= 20, iat= -1,1769, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1760,1761,
&end
#
# 94 GLN HG+ 94 GLN HA 3.50 (# 2377:20 Unique 2.32, 3.29 A)
&rst
ixpk= 2377, nxpk= 20, iat= -1,1452, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1457,1458,
&end
#
# 108 LEU HA 109 THR HA 5.50 (# 2378:20 Unique 4.36, 4.48 A)
&rst
ixpk= 2378, nxpk= 20, iat=1685,1704, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 ARG HN 120 LEU HA 5.50 (# 2380:20 Unique 3.51, 3.54 A)
&rst
ixpk= 2380, nxpk= 20, iat=1883,1866, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 LEU MDY 118 ASN HA 4.50 (# 2381:20 Unique 2.54, 4.93 A)
&rst
ixpk= 2381, nxpk= 20, iat= -1,1837, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 195, 196, 197, 199, 200, 201,
&end
#
# 121 ARG HB- 118 ASN HA 4.50 (# 2382:20 Unique 2.37, 3.51 A)
&rst
ixpk= 2382, nxpk= 20, iat= -1,1837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1887,1888,
&end
#
# 42 VAL MGY 41 GLU HA 4.50 (# 2384:20 Unique 3.17, 5.07 A)
&rst
ixpk= 2384, nxpk= 20, iat= -1, 654, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 673, 674, 675, 677, 678, 679,
&end
#
# 118 ASN HD2+ 118 ASN HA 3.50 (# 2385:20 Unique 1.80, 2.79 A)
&rst
ixpk= 2385, nxpk= 20, iat= -1,1837, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1844,1845,
&end
#
# 102 GLN HB+ 99 LEU HA 4.50 (# 2386:20 Unique 3.70, 4.70 A)
&rst
ixpk= 2386, nxpk= 20, iat= -1,1533, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1577,1578,
&end
#
# 56 ASP HA 107 LYS HA 4.50 (# 2387:20 Unique)
&rst
ixpk= 2387, nxpk= 20, iat= 837,1663, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 ASP HN 80 HIS HA 4.50 (# 2388:20 Unique 2.54, 2.71 A)
&rst
ixpk= 2388, nxpk= 20, iat=1243,1228, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:2389 64 LEU HA 5.50 (# 2389:20 Single Ambig)
&rst
ixpk= 2389, nxpk= 20, iat= -1, 975, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
1055,1056,
&end
#
# 105 LEU MDX 105 LEU HA 4.50 (# 2390:20 Unique 2.00, 3.17 A)
&rst
ixpk= 2390, nxpk= 20, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1630,1631,1632,1634,1635,1636,
&end
#
# 0 AMB 20-2:2391 87 LEU HA 5.50 (# 2391:20 Single Ambig)
&rst
ixpk= 2391, nxpk= 20, iat= -1,1337, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1=1322,1323,1885,1383,1384,1383,1384,
&end
#
# 87 LEU MDY 87 LEU HA 5.50 (# 2392:20 Unique 1.96, 3.86 A)
&rst
ixpk= 2392, nxpk= 20, iat= -1,1337, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1344,1345,1346,1348,1349,1350,
&end
#
# 0 AMB 20-2:2393 125 ALA HA 4.50 (# 2393:20 Single Ambig)
&rst
ixpk= 2393, nxpk= 20, iat= -1,1953, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1856,1857,1853,1854,
&end
#
# 8 PRO HB- 8 PRO HD+ 5.50 (# 2395:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2395, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 124, 125,
igr2= 118, 119,
&end
#
# 8 PRO HG- 8 PRO HD- 4.50 (# 2396:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2396, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 121, 122,
igr2= 118, 119,
&end
#
# 87 LEU HG 86 PRO HD+ 4.50 (# 2397:20 Unique 2.89, 4.61 A)
&rst
ixpk= 2397, nxpk= 20, iat=1342, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1322,1323,
&end
#
# 87 LEU MDY 86 PRO HD- 5.50 (# 2398:20 Unique 3.01, 6.53 A)
&rst
ixpk= 2398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1344,1345,1346,1348,1349,1350,
igr2=1322,1323,
&end
#
# 58 ALA HA 39 PRO HD+ 4.50 (# 2399:20 Unique 1.98, 3.01 A)
&rst
ixpk= 2399, nxpk= 20, iat= 871, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 628, 629,
&end
#
# 18 ARG HG+ 18 ARG HD- 4.50 (# 2404:20 Unique 2.22, 2.70 A)
&rst
ixpk= 2404, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 285, 286,
igr2= 288, 289,
&end
#
# 121 ARG HB+ 121 ARG HD+ 4.50 (# 2405:20 Unique 1.94, 3.16 A)
&rst
ixpk= 2405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1887,1888,
igr2=1893,1894,
&end
#
# 87 LEU MDX 91 LYS HE+ 5.50 (# 2407:20 Unique 4.20, 6.62 A)
&rst
ixpk= 2407, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1344,1345,1346,1348,1349,1350,
igr2=1403,1404,
&end
#
# 0 AMB 20-2:2408 0 AMB 20-1:2408 3.50 (# 2408:20 Double Ambig)
&rst
ixpk= 2408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
igr2= 178, 179, 178, 179,
&end
#
# 61 LYS HG+ 61 LYS HE- 4.50 (# 2409:20 Unique 2.19, 3.22 A)
&rst
ixpk= 2409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 921, 922,
igr2= 927, 928,
&end
#
# 77 ASN HD2+ 79 LYS HE+ 4.50 (# 2410:20 Unique 1.97, 5.11 A)
&rst
ixpk= 2410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1185,1186,
igr2=1217,1218,
&end
#
# 83 LYS HG- 83 LYS HE- 4.50 (# 2413:20 Unique 2.03, 3.10 A)
&rst
ixpk= 2413, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1274,1275,
igr2=1280,1281,
&end
#
# 83 LYS HG+ 83 LYS HE- 4.50 (# 2414:20 Unique 2.03, 3.10 A)
&rst
ixpk= 2414, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1274,1275,
igr2=1280,1281,
&end
#
# 65 LEU HG 65 LEU HB- 4.50 (# 2417:20 Unique 2.39, 2.75 A)
&rst
ixpk= 2417, nxpk= 20, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 996, 997,
&end
#
# 0 AMB 20-2:2420 0 AMB 20-1:2420 5.50 (# 2420:20 Double Ambig)
&rst
ixpk= 2420, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1414,1322,1323,
igr2=1339,1340,1339,1340,
&end
#
# 0 AMB 20-2:2421 0 AMB 20-1:2421 4.50 (# 2421:20 Double Ambig)
&rst
ixpk= 2421, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1885,1322,1323,
igr2=1339,1340,1339,1340,
&end
#
# 87 LEU HN 87 LEU HB+ 4.50 (# 2422:20 Unique 2.31, 3.19 A)
&rst
ixpk= 2422, nxpk= 20, iat=1335, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1339,1340,
&end
#
# 65 LEU MDX 65 LEU HB+ 4.50 (# 2423:20 Unique 2.05, 3.27 A)
&rst
ixpk= 2423, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1001,1002,1003,1005,1006,1007,
igr2= 996, 997,
&end
#
# 65 LEU MDY 65 LEU HB+ 4.50 (# 2424:20 Unique 2.05, 3.27 A)
&rst
ixpk= 2424, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1001,1002,1003,1005,1006,1007,
igr2= 996, 997,
&end
#
# 106 TYR HD 106 TYR HB+ 3.50 (# 2425:20 Unique 2.30, 3.05 A)
&rst
ixpk= 2425, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1648,1657,
igr2=1644,1645,
&end
#
# 36 LEU HG 116 PHE HB+ 5.50 (# 2426:20 Unique 2.63, 3.37 A)
&rst
ixpk= 2426, nxpk= 20, iat= 591, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1803,1804,
&end
#
# 91 LYS HN 92 ILE HB 5.50 (# 2427:20 Unique 4.59, 4.87 A)
&rst
ixpk= 2427, nxpk= 20, iat=1390,1416, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 LEU HB+ 66 TYR HB+ 5.50 (# 2428:20 Unique 2.47, 4.39 A)
&rst
ixpk= 2428, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 977, 978,
igr2=1015,1016,
&end
#
# 35 HIS HD2 61 LYS HB+ 5.50 (# 2429:20 Unique 3.09, 3.76 A)
&rst
ixpk= 2429, nxpk= 20, iat= 580, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 918, 919,
&end
#
# 99 LEU HA 102 GLN HG- 4.50 (# 2432:20 Unique 2.97, 4.74 A)
&rst
ixpk= 2432, nxpk= 20, iat=1533, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1580,1581,
&end
#
# 99 LEU HA 102 GLN HG+ 4.50 (# 2433:20 Unique 2.97, 4.74 A)
&rst
ixpk= 2433, nxpk= 20, iat=1533, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1580,1581,
&end
#
# 91 LYS HA 94 GLN HG+ 5.50 (# 2434:20 Unique 2.05, 3.14 A)
&rst
ixpk= 2434, nxpk= 20, iat=1392, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1457,1458,
&end
#
# 0 AMB 20-2:2435 68 VAL HB 5.50 (# 2435:20 Single Ambig)
&rst
ixpk= 2435, nxpk= 20, iat= -1,1048, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1064,1065,1066, 426, 427, 428,
&end
#
# 86 PRO HA 86 PRO HB+ 3.50 (# 2440:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2440, nxpk= 20, iat=1331, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1328,1329,
&end
#
# 77 ASN HN 76 VAL HB 4.50 (# 2441:20 Unique 4.25, 4.35 A)
&rst
ixpk= 2441, nxpk= 20, iat=1176,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 120 LEU MDX 95 ARG HB+ 4.50 (# 2443:20 Unique 2.16, 5.01 A)
&rst
ixpk= 2443, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1873,1874,1875,1877,1878,1879,
igr2=1471,1472,
&end
#
# 120 LEU MDX 95 ARG HB- 4.50 (# 2444:20 Unique 2.16, 5.01 A)
&rst
ixpk= 2444, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1873,1874,1875,1877,1878,1879,
igr2=1471,1472,
&end
#
# 7 GLU HG+ 7 GLU HB+ 3.50 (# 2445:20 Unique 2.21, 2.67 A)
&rst
ixpk= 2445, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 109, 110,
igr2= 106, 107,
&end
#
# 95 ARG HA 95 ARG HB+ 3.50 (# 2446:20 Unique 2.42, 2.79 A)
&rst
ixpk= 2446, nxpk= 20, iat=1469, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1471,1472,
&end
#
# 95 ARG HA 95 ARG HB- 3.50 (# 2447:20 Unique 2.42, 2.79 A)
&rst
ixpk= 2447, nxpk= 20, iat=1469, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1471,1472,
&end
#
# 95 ARG HN 95 ARG HB+ 4.50 (# 2448:20 Unique 2.15, 2.84 A)
&rst
ixpk= 2448, nxpk= 20, iat=1467, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1471,1472,
&end
#
# 95 ARG HN 95 ARG HB- 4.50 (# 2449:20 Unique 2.15, 2.84 A)
&rst
ixpk= 2449, nxpk= 20, iat=1467, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1471,1472,
&end
#
# 111 GLU HA 114 GLU HB- 4.50 (# 2450:20 Unique 2.88, 3.72 A)
&rst
ixpk= 2450, nxpk= 20, iat=1729, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1771,1772,
&end
#
# 114 GLU HA 114 GLU HB- 4.50 (# 2451:20 Unique 2.29, 2.78 A)
&rst
ixpk= 2451, nxpk= 20, iat=1769, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1771,1772,
&end
#
# 114 GLU HA 114 GLU HB+ 4.50 (# 2454:20 Unique 2.29, 2.78 A)
&rst
ixpk= 2454, nxpk= 20, iat=1769, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1771,1772,
&end
#
# 94 GLN HG- 94 GLN HB- 3.50 (# 2455:20 Unique 2.21, 2.66 A)
&rst
ixpk= 2455, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1457,1458,
igr2=1454,1455,
&end
#
# 91 LYS HA 94 GLN HB- 4.50 (# 2456:20 Unique 2.19, 3.41 A)
&rst
ixpk= 2456, nxpk= 20, iat=1392, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1454,1455,
&end
#
# 93 ILE HA 93 ILE HG1+ 5.50 (# 2457:20 Unique 2.64, 2.96 A)
&rst
ixpk= 2457, nxpk= 20, iat=1433, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1441,1442,
&end
#
# 86 PRO HD+ 87 LEU HG 5.50 (# 2459:20 Unique 2.89, 4.61 A)
&rst
ixpk= 2459, nxpk= 20, iat= -1,1342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1322,1323,
&end
#
# 39 PRO HD+ 39 PRO HG+ 4.50 (# 2460:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 628, 629,
igr2= 631, 632,
&end
#
# 38 PRO HA 39 PRO HG+ 5.50 (# 2462:20 Unique 4.46, 4.53 A)
&rst
ixpk= 2462, nxpk= 20, iat= 623, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 631, 632,
&end
#
# 10 PRO HB+ 89 CYS HB+ 5.50 (# 2463:20 Unique 2.00, 4.34 A)
&rst
ixpk= 2463, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 160, 161,
igr2=1372,1373,
&end
#
# 118 ASN HA 13 LEU HG 5.50 (# 2465:20 Unique 4.59, 5.10 A)
&rst
ixpk= 2465, nxpk= 20, iat=1837, 193, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 LEU HN 13 LEU HG 5.50 (# 2466:20 Unique 2.46, 3.27 A)
&rst
ixpk= 2466, nxpk= 20, iat= 186, 193, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2467 13 LEU MDX 4.50 (# 2467:20 Single Ambig)
&rst
ixpk= 2467, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1893,1894, 190, 191,1194,1195,
igr2= 195, 196, 197, 199, 200, 201,
&end
#
# 13 LEU HN 13 LEU MDX 4.50 (# 2468:20 Unique 1.93, 4.31 A)
&rst
ixpk= 2468, nxpk= 20, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 195, 196, 197, 199, 200, 201,
&end
#
# 91 LYS HB+ 87 LEU MDY 4.50 (# 2469:20 Unique 1.99, 4.09 A)
&rst
ixpk= 2469, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1394,1395,
igr2=1344,1345,1346,1348,1349,1350,
&end
#
# 86 PRO HD- 87 LEU MDY 4.50 (# 2470:20 Unique 3.01, 6.53 A)
&rst
ixpk= 2470, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1322,1323,
igr2=1344,1345,1346,1348,1349,1350,
&end
#
# 79 LYS HB+ 79 LYS HG+ 4.50 (# 2474:20 Unique 2.24, 2.59 A)
&rst
ixpk= 2474, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1208,1209,
igr2=1211,1212,
&end
#
# 35 HIS HA 36 LEU MDX 5.50 (# 2475:20 Unique 3.74, 6.31 A)
&rst
ixpk= 2475, nxpk= 20, iat= 569, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 593, 594, 595, 597, 598, 599,
&end
#
# 116 PHE HD 36 LEU MDX 5.50 (# 2476:20 Unique 2.02, 5.33 A)
&rst
ixpk= 2476, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1807,1815,
igr2= 593, 594, 595, 597, 598, 599,
&end
#
# 0 AMB 20-2:2477 0 AMB 20-1:2477 4.50 (# 2477:20 Double Ambig)
&rst
ixpk= 2477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.79, r4= 8.54,
igr1=1809,1813,1640,
igr2=1825,1826,1827,1829,1830,1831, 873, 874, 875,
&end
#
# 103 GLU HB+ 105 LEU MDY 4.50 (# 2478:20 Unique 4.83, 6.95 A)
&rst
ixpk= 2478, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1594,1595,
igr2=1630,1631,1632,1634,1635,1636,
&end
#
# 0 AMB 20-2:2480 68 VAL MGX 5.50 (# 2480:20 Single Ambig)
&rst
ixpk= 2480, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 535, 973, 567,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 0 AMB 20-2:2481 0 AMB 20-1:2481 5.50 (# 2481:20 Double Ambig)
&rst
ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1835,1501,1491,
igr2= 195, 196, 197, 199, 200, 201, 557, 558, 559, 561,
562, 563,
&end
#
# 0 AMB 20-2:2482 0 AMB 20-1:2482 5.50 (# 2482:20 Double Ambig)
&rst
ixpk= 2482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1255,1573,
igr2=1274,1275, 904, 905, 906, 908, 909, 910,
&end
#
# 0 AMB 20-2:2483 0 AMB 20-1:2483 5.50 (# 2483:20 Double Ambig)
&rst
ixpk= 2483, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1685,1663,
igr2=1692,1693,1694,1696,1697,1698, 873, 874, 875,
&end
#
# 0 AMB 20-2:2485 120 LEU MDX 5.50 (# 2485:20 Single Ambig)
&rst
ixpk= 2485, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1467,1928,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 67 ASP HN 68 VAL MGX 5.50 (# 2486:20 Unique 3.78, 5.72 A)
&rst
ixpk= 2486, nxpk= 20, iat=1032, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 35 HIS HD2 68 VAL MGX 5.50 (# 2487:20 Unique 2.73, 4.35 A)
&rst
ixpk= 2487, nxpk= 20, iat= 580, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1050,1051,1052,1054,1055,1056,
&end
#
# 107 LYS HE+ 109 THR MG2 5.50 (# 2489:20 Unique 2.09, 5.44 A)
&rst
ixpk= 2489, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1674,1675,
igr2=1708,1709,1710,
&end
#
# 0 AMB 20-2:2490 0 AMB 20-1:2490 5.50 (# 2490:20 Double Ambig)
&rst
ixpk= 2490, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1661,1742,
igr2=1708,1709,1710, 873, 874, 875,
&end
#
# 61 LYS HN 37 ALA MB 4.50 (# 2491:20 Unique 3.30, 4.58 A)
&rst
ixpk= 2491, nxpk= 20, iat= 914, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 607, 608, 609,
&end
#
# 58 ALA MB 104 VAL MGX 3.50 (# 2492:20 Unique 1.98, 4.64 A)
&rst
ixpk= 2492, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 873, 874, 875,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 24 TRP HZ3 117 VAL MGX 4.50 (# 2494:20 Unique 4.09, 6.15 A)
&rst
ixpk= 2494, nxpk= 20, iat= 415, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1825,1826,1827,1829,1830,1831,
&end
#
# 0 AMB 20-2:2495 117 VAL MGX 5.50 (# 2495:20 Single Ambig)
&rst
ixpk= 2495, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1767,1849,
igr2=1825,1826,1827,1829,1830,1831,
&end
#
# 118 ASN HB- 125 ALA MB 5.50 (# 2496:20 Unique 2.00, 3.84 A)
&rst
ixpk= 2496, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1839,1840,
igr2=1955,1956,1957,
&end
#
# 115 HIS HB+ 125 ALA MB 4.50 (# 2497:20 Unique 2.83, 4.82 A)
&rst
ixpk= 2497, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1786,1787,
igr2=1955,1956,1957,
&end
#
# 0 AMB 20-2:2498 104 VAL MGY 4.50 (# 2498:20 Single Ambig)
&rst
ixpk= 2498, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1630,1631,1632,1634,1635,1636, 588, 589,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 105 LEU HB+ 104 VAL MGY 5.50 (# 2499:20 Unique 4.68, 6.58 A)
&rst
ixpk= 2499, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1625,1626,
igr2=1611,1612,1613,1615,1616,1617,
&end
#
# 122 TYR HB+ 124 VAL MGY 5.50 (# 2500:20 Unique 2.92, 7.38 A)
&rst
ixpk= 2500, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1911,1912,
igr2=1941,1942,1943,1945,1946,1947,
&end
#
# 0 AMB 20-2:2501 124 VAL MGY 5.50 (# 2501:20 Single Ambig)
&rst
ixpk= 2501, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1911,1912,1839,1840,
igr2=1941,1942,1943,1945,1946,1947,
&end
#
# 34 VAL HN 28 VAL MGY 4.50 (# 2502:20 Unique 2.84, 4.75 A)
&rst
ixpk= 2502, nxpk= 20, iat= 551, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 478, 479, 480, 482, 483, 484,
&end
#
# 0 AMB 20-2:2503 96 ALA MB 4.50 (# 2503:20 Single Ambig)
&rst
ixpk= 2503, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1= 949, 950,1471,1472, 940, 941,1435,
igr2=1495,1496,1497,
&end
#
# 23 HIS HB- 16 ILE QG2 4.50 (# 2504:20 Unique 2.66, 3.88 A)
&rst
ixpk= 2504, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 385, 386,
igr2= 245, 246, 247,
&end
#
# 97 GLU HN 93 ILE QG2 5.50 (# 2505:20 Unique 3.70, 4.91 A)
&rst
ixpk= 2505, nxpk= 20, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1437,1438,1439,
&end
#
# 0 AMB 20-2:2506 14 ILE QG2 4.50 (# 2506:20 Single Ambig)
&rst
ixpk= 2506, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 459, 468,1132,1137,
igr2= 211, 212, 213,
&end
#
# 93 ILE HN 92 ILE QG2 4.50 (# 2507:20 Unique 2.63, 3.92 A)
&rst
ixpk= 2507, nxpk= 20, iat=1431, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1418,1419,1420,
&end
#
# 5 ILE HG1- 5 ILE QG2 4.50 (# 2508:20 Unique 2.05, 3.39 A)
&rst
ixpk= 2508, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 79, 80,
igr2= 75, 76, 77,
&end
#
# 103 GLU HB+ 59 ILE QG2 4.50 (# 2509:20 Unique 2.09, 4.11 A)
&rst
ixpk= 2509, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1594,1595,
igr2= 885, 886, 887,
&end
#
# 13 LEU HG 26 ILE QD1 4.50 (# 2511:20 Unique 3.50, 5.11 A)
&rst
ixpk= 2511, nxpk= 20, iat= 193, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 445, 446, 447,
&end
#
# 120 LEU MDX 26 ILE QG2 5.50 (# 2512:20 Unique 1.98, 5.15 A)
&rst
ixpk= 2512, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1873,1874,1875,1877,1878,1879,
igr2= 438, 439, 440,
&end
#
# 27 TYR HN 26 ILE QG2 5.50 (# 2513:20 Unique 3.07, 4.66 A)
&rst
ixpk= 2513, nxpk= 20, iat= 451, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 438, 439, 440,
&end
#
# 0 AMB 20-2:2514 26 ILE QG2 5.50 (# 2514:20 Single Ambig)
&rst
ixpk= 2514, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1821,1493,
igr2= 438, 439, 440,
&end
#
# 87 LEU HN 92 ILE QD1 5.50 (# 2515:20 Unique 4.40, 5.83 A)
&rst
ixpk= 2515, nxpk= 20, iat=1335, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1425,1426,1427,
&end
#
# 74 TYR HB+ 16 ILE QD1 4.50 (# 2516:20 Unique 1.88, 2.94 A)
&rst
ixpk= 2516, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1126,1127,
igr2= 252, 253, 254,
&end
#
# 4 PRO HB+ 4 PRO HA 3.50 (# 2517:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2517, nxpk= 20, iat= -1, 65, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 62, 63,
&end
#
# 92 ILE HG1- 121 ARG HA 4.50 (# 2520:20 Unique 1.93, 2.80 A)
&rst
ixpk= 2520, nxpk= 20, iat= -1,1885, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1422,1423,
&end
#
# 92 ILE HG1+ 121 ARG HA 4.50 (# 2521:20 Unique 1.93, 2.80 A)
&rst
ixpk= 2521, nxpk= 20, iat= -1,1885, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1422,1423,
&end
#
# 32 TYR HB+ 62 LYS HE+ 4.50 (# 2523:20 Unique 2.06, 3.46 A)
&rst
ixpk= 2523, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 518, 519,
igr2= 949, 950,
&end
#
# 32 TYR HB+ 62 LYS HE- 4.50 (# 2524:20 Unique 2.06, 3.46 A)
&rst
ixpk= 2524, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 518, 519,
igr2= 949, 950,
&end
#
# 32 TYR HD 62 LYS HE+ 5.50 (# 2525:20 Unique 2.57, 4.33 A)
&rst
ixpk= 2525, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 522, 531,
igr2= 949, 950,
&end
#
# 53 ALA HN 53 ALA MB 4.50 (# 2526:20 Unique 2.09, 3.35 A)
&rst
ixpk= 2526, nxpk= 20, iat= 792, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 796, 797, 798,
&end
#
# 19 PRO HB+ 19 PRO HG- 4.50 (# 2527:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2527, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 309, 310,
igr2= 306, 307,
&end
#
# 38 PRO HD- 38 PRO HG- 3.50 (# 2529:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 614, 615,
igr2= 617, 618,
&end
#
# 71 SER HA 71 SER HB- 3.50 (# 2530:20 Unique 2.26, 2.76 A)
&rst
ixpk= 2530, nxpk= 20, iat=1079, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1081,1082,
&end
#
# 25 ALA HN 25 ALA HA 4.50 (# 2532:20 Unique 2.87, 2.91 A)
&rst
ixpk= 2532, nxpk= 20, iat= 422, 424, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 GLY HN 69 ALA HA 5.50 (# 2533:20 Unique 3.34, 3.55 A)
&rst
ixpk= 2533, nxpk= 20, iat=1070,1062, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2534 92 ILE HA 5.50 (# 2534:20 Single Ambig)
&rst
ixpk= 2534, nxpk= 20, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1450,1883,
&end
#
# 95 ARG HN 94 GLN HA 4.50 (# 2535:20 Unique 3.48, 3.55 A)
&rst
ixpk= 2535, nxpk= 20, iat=1467,1452, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:2536 95 ARG HA 3.50 (# 2536:20 Single Ambig)
&rst
ixpk= 2536, nxpk= 20, iat= -1,1469, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1491,1501,
&end
#
# 99 LEU HN 95 ARG HA 5.50 (# 2537:20 Unique 4.01, 4.16 A)
&rst
ixpk= 2537, nxpk= 20, iat=1531,1469, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 VAL HN 96 ALA HA 5.50 (# 2538:20 Unique 3.81, 4.01 A)
&rst
ixpk= 2538, nxpk= 20, iat=1550,1493, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 117 VAL HN 114 GLU HA 5.50 (# 2540:20 Unique 3.59, 3.76 A)
&rst
ixpk= 2540, nxpk= 20, iat=1819,1769, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 117 VAL HN 115 HIS HA 5.50 (# 2541:20 Unique 4.63, 4.98 A)
&rst
ixpk= 2541, nxpk= 20, iat=1819,1784, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 ARG HN 118 ASN HA 5.50 (# 2543:20 Unique 3.07, 3.24 A)
&rst
ixpk= 2543, nxpk= 20, iat=1883,1837, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 92 ILE HG1- 92 ILE HB 5.50 (# 2544:20 Unique 2.32, 2.81 A)
&rst
ixpk= 2544, nxpk= 20, iat= -1,1416, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1422,1423,
&end
#
# 92 ILE HG1+ 92 ILE HB 4.50 (# 2545:20 Unique 2.32, 2.81 A)
&rst
ixpk= 2545, nxpk= 20, iat= -1,1416, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1422,1423,
&end
#
# 115 HIS HA 118 ASN HB- 3.50 (# 2546:20 Unique 2.37, 3.19 A)
&rst
ixpk= 2546, nxpk= 20, iat=1784, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1839,1840,
&end
#
# 18 ARG HB+ 18 ARG HA 3.50 (# 2549:20 Unique 2.29, 2.83 A)
&rst
ixpk= 2549, nxpk= 20, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 282, 283,
&end
#
# 0 AMB 20-2:2550 52 SER HA 5.50 (# 2550:20 Single Ambig)
&rst
ixpk= 2550, nxpk= 20, iat= -1, 783, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 792, 781,
&end
#
# 15 GLU HB+ 15 GLU HA 3.50 (# 2551:20 Unique 2.30, 2.72 A)
&rst
ixpk= 2551, nxpk= 20, iat= -1, 226, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 228, 229,
&end
#
# 93 ILE QG2 93 ILE HG1- 3.50 (# 2552:20 Unique 2.08, 3.42 A)
&rst
ixpk= 2552, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1437,1438,1439,
igr2=1441,1442,
&end
#
# 0 AMB 20-2:2553 0 AMB 20-1:2553 3.50 (# 2553:20 Double Ambig)
&rst
ixpk= 2553, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 245, 246, 247,1444,1445,1446,
igr2= 285, 286,1441,1442,
&end
#
# 64 LEU HA 64 LEU HG 4.50 (# 2554:20 Unique 2.13, 2.72 A)
&rst
ixpk= 2554, nxpk= 20, iat= 975, 980, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 54 LEU HN 54 LEU HA 4.50 (# 2555:20 Unique 2.27, 2.71 A)
&rst
ixpk= 2555, nxpk= 20, iat= 802, 804, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:2556 37 ALA MB 5.50 (# 2556:20 Single Ambig)
&rst
ixpk= 2556, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 620, 621, 588, 589,
igr2= 607, 608, 609,
&end
#
# 0 AMB 20-2:2559 34 VAL HB 3.50 (# 2559:20 Single Ambig)
&rst
ixpk= 2559, nxpk= 20, iat= -1, 555, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1495,1496,1497,1825,1826,1827,1829,1830,1831,
&end
#
# 0 AMB 20-2:2560 41 GLU HB- 2.80 (# 2560:20 Single Ambig)
&rst
ixpk= 2560, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 659, 660, 659, 660,
igr2= 656, 657,
&end
#
# 108 LEU HB+ 108 LEU HG 2.80 (# 2561:20 Unique 2.30, 2.66 A)
&rst
ixpk= 2561, nxpk= 20, iat= -1,1690, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1687,1688,
&end
#
# 0 AMB 20-2:2562 108 LEU HG 4.50 (# 2562:20 Single Ambig)
&rst
ixpk= 2562, nxpk= 20, iat= -1,1690, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1685,1663,
&end
#
# 0 AMB 20-2:2564 0 AMB 20-1:2564 4.50 (# 2564:20 Double Ambig)
&rst
ixpk= 2564, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 620, 621, 620, 621,
igr2= 628, 629, 614, 615,
&end
#
# 99 LEU MDX 98 GLU HG+ 4.50 (# 2571:20 Unique 2.00, 6.51 A)
&rst
ixpk= 2571, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1540,1541,1542,1544,1545,1546,
igr2=1523,1524,
&end
#
# 8 PRO HG- 8 PRO HB- 4.50 (# 2573:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2573, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 121, 122,
igr2= 124, 125,
&end
#
# 99 LEU HB+ 99 LEU MDY 3.50 (# 2574:20 Unique 2.02, 3.28 A)
&rst
ixpk= 2574, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1535,1536,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 120 LEU HB+ 120 LEU HG 4.50 (# 2575:20 Unique 2.40, 2.73 A)
&rst
ixpk= 2575, nxpk= 20, iat= -1,1871, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1868,1869,
&end
#
# 120 LEU HB- 120 LEU HG 4.50 (# 2576:20 Unique 2.40, 2.73 A)
&rst
ixpk= 2576, nxpk= 20, iat= -1,1871, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1868,1869,
&end
#
# 83 LYS HG- 83 LYS HA 3.50 (# 2577:20 Unique 2.30, 3.43 A)
&rst
ixpk= 2577, nxpk= 20, iat= -1,1269, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1274,1275,
&end
#
# 41 GLU HA 0 AMB 20-1:2579 5.50 (# 2579:20 Single Ambig)
&rst
ixpk= 2579, nxpk= 20, iat= 654, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 659, 660, 659, 660,
&end
#
# 18 ARG HD+ 18 ARG HA 4.50 (# 2581:20 Unique 3.49, 4.27 A)
&rst
ixpk= 2581, nxpk= 20, iat= -1, 280, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 288, 289,
&end
#
# 0 AMB 20-2:2584 0 AMB 20-1:2584 3.50 (# 2584:20 Double Ambig)
&rst
ixpk= 2584, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 620, 621, 631, 632,
igr2= 628, 629, 614, 615,
&end
#
# 0 AMB 20-2:2585 0 AMB 20-1:2585 3.50 (# 2585:20 Double Ambig)
&rst
ixpk= 2585, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 620, 621, 631, 632,
igr2= 628, 629, 628, 629,
&end
#
# 0 AMB 20-2:2586 0 AMB 20-1:2586 3.50 (# 2586:20 Double Ambig)
&rst
ixpk= 2586, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 631, 632, 59, 60, 634, 635,
igr2= 628, 629, 56, 57, 628, 629,
&end
#
# 0 AMB 20-2:2587 0 AMB 20-1:2587 3.50 (# 2587:20 Double Ambig)
&rst
ixpk= 2587, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1400,1401,1474,1475,
igr2=1477,1478,1477,1478,
&end
#
# 0 AMB 20-2:2588 95 ARG HD- 3.50 (# 2588:20 Single Ambig)
&rst
ixpk= 2588, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1400,1401,1474,1475,
igr2=1477,1478,
&end
#
# 95 ARG HB- 95 ARG HD- 4.50 (# 2589:20 Unique 2.00, 3.15 A)
&rst
ixpk= 2589, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1471,1472,
igr2=1477,1478,
&end
#
# 65 LEU HG 65 LEU HB+ 4.50 (# 2592:20 Unique 2.39, 2.75 A)
&rst
ixpk= 2592, nxpk= 20, iat= 999, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 996, 997,
&end
#
# 87 LEU HN 87 LEU HB- 4.50 (# 2593:20 Unique 2.31, 3.19 A)
&rst
ixpk= 2593, nxpk= 20, iat=1335, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1339,1340,
&end
#
# 91 LYS HD+ 91 LYS HB+ 3.50 (# 2594:20 Unique 2.13, 3.23 A)
&rst
ixpk= 2594, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1400,1401,
igr2=1394,1395,
&end
#
# 116 PHE HN 115 HIS HB+ 3.50 (# 2596:20 Unique 2.36, 3.10 A)
&rst
ixpk= 2596, nxpk= 20, iat=1799, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1786,1787,
&end
#
# 0 AMB 20-2:2598 0 AMB 20-1:2598 5.50 (# 2598:20 Double Ambig)
&rst
ixpk= 2598, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 169, 170, 127,
igr2=1422,1423, 121, 122,
&end
#
# 36 LEU HG 36 LEU MDY 3.50 (# 2599:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2599, nxpk= 20, iat= 591, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 593, 594, 595, 597, 598, 599,
&end
#
# 87 LEU HA 87 LEU HB+ 5.50 (# 2600:20 Unique 2.27, 2.72 A)
&rst
ixpk= 2600, nxpk= 20, iat=1337, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1339,1340,
&end
#
# 0 AMB 20-2:2601 0 AMB 20-1:2601 2.80 (# 2601:20 Double Ambig)
&rst
ixpk= 2601, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1=1397,1398, 436,1214,1215,1342,1339,1340,
igr2=1344,1345,1346,1348,1349,1350, 557, 558, 559, 561,
562, 563, 195, 196, 197, 199, 200, 201,
&end
#
# 87 LEU MDX 87 LEU HG 3.50 (# 2602:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2602, nxpk= 20, iat= -1,1342, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1344,1345,1346,1348,1349,1350,
&end
#
# 87 LEU MDY 87 LEU HG 3.50 (# 2603:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2603, nxpk= 20, iat= -1,1342, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1344,1345,1346,1348,1349,1350,
&end
#
# 39 PRO HA 59 ILE HG1+ 4.50 (# 2604:20 Unique 2.91, 4.06 A)
&rst
ixpk= 2604, nxpk= 20, iat= 637, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 889, 890,
&end
#
# 59 ILE HA 59 ILE HG1+ 5.50 (# 2605:20 Unique 2.28, 3.58 A)
&rst
ixpk= 2605, nxpk= 20, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 889, 890,
&end
#
# 9 LYS HG+ 9 LYS HD+ 2.80 (# 2606:20 Unique 2.22, 2.68 A)
&rst
ixpk= 2606, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 138, 139,
igr2= 141, 142,
&end
#
# 68 VAL HN 67 ASP HB+ 4.50 (# 2607:20 Unique 2.62, 3.33 A)
&rst
ixpk= 2607, nxpk= 20, iat=1044, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1036,1037,
&end
#
# 67 ASP HN 67 ASP HB+ 3.50 (# 2609:20 Unique 2.16, 2.67 A)
&rst
ixpk= 2609, nxpk= 20, iat=1032, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1036,1037,
&end
#
# 67 ASP HA 0 AMB 20-1:2610 3.50 (# 2610:20 Single Ambig)
&rst
ixpk= 2610, nxpk= 20, iat=1034, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1036,1037,1036,1037,
&end
#
# 67 ASP HA 0 AMB 20-1:2611 3.50 (# 2611:20 Single Ambig)
&rst
ixpk= 2611, nxpk= 20, iat=1034, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1036,1037,1036,1037,
&end
#
# 75 GLN HA 75 GLN HG+ 4.50 (# 2612:20 Unique 3.55, 3.85 A)
&rst
ixpk= 2612, nxpk= 20, iat=1145, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1150,1151,
&end
#
# 97 GLU HN 97 GLU HB+ 3.50 (# 2613:20 Unique 2.47, 3.09 A)
&rst
ixpk= 2613, nxpk= 20, iat=1501, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1505,1506,
&end
#
# 111 GLU HA 111 GLU HG+ 3.50 (# 2614:20 Unique 2.07, 2.73 A)
&rst
ixpk= 2614, nxpk= 20, iat=1729, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1734,1735,
&end
#
# 57 LYS HE+ 57 LYS HG- 4.50 (# 2615:20 Unique 2.05, 3.11 A)
&rst
ixpk= 2615, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 860, 861,
igr2= 854, 855,
&end
#
# 57 LYS HA 0 AMB 20-1:2616 5.50 (# 2616:20 Single Ambig)
&rst
ixpk= 2616, nxpk= 20, iat= 849, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 854, 855, 854, 855,
&end
#
# 0 AMB 20-2:2617 0 AMB 20-1:2617 3.50 (# 2617:20 Double Ambig)
&rst
ixpk= 2617, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 857, 858, 857, 858,
igr2= 854, 855, 854, 855,
&end
#
# 57 LYS HB- 0 AMB 20-1:2618 4.50 (# 2618:20 Single Ambig)
&rst
ixpk= 2618, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 851, 852,
igr2= 854, 855, 854, 855,
&end
#
# 61 LYS HB- 61 LYS HG+ 4.50 (# 2619:20 Unique 2.34, 2.70 A)
&rst
ixpk= 2619, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 918, 919,
igr2= 921, 922,
&end
#
# 61 LYS HB- 61 LYS HG- 5.50 (# 2620:20 Unique 2.34, 2.70 A)
&rst
ixpk= 2620, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 918, 919,
igr2= 921, 922,
&end
#
# 0 AMB 20-2:2621 62 LYS HB- 4.50 (# 2621:20 Single Ambig)
&rst
ixpk= 2621, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1556,1557,1558,1560,1561,1562, 557, 558, 559, 561,
562, 563,
igr2= 940, 941,
&end
#
# 0 AMB 20-2:2622 0 AMB 20-1:2622 4.50 (# 2622:20 Double Ambig)
&rst
ixpk= 2622, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1556,1557,1558,1560,1561,1562, 557, 558, 559, 561,
562, 563,
igr2= 940, 941, 940, 941,
&end
#
# 0 AMB 20-2:2623 0 AMB 20-1:2623 2.80 (# 2623:20 Double Ambig)
&rst
ixpk= 2623, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1668,1669, 436,
igr2=1671,1672, 442, 443,
&end
#
# 79 LYS HA 79 LYS HE+ 5.50 (# 2624:20 Unique 2.05, 3.59 A)
&rst
ixpk= 2624, nxpk= 20, iat=1206, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1217,1218,
&end
#
# 83 LYS HA 83 LYS HG+ 5.50 (# 2625:20 Unique 2.30, 3.43 A)
&rst
ixpk= 2625, nxpk= 20, iat=1269, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1274,1275,
&end
#
# 0 AMB 20-2:2627 0 AMB 20-1:2627 4.50 (# 2627:20 Double Ambig)
&rst
ixpk= 2627, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 637, 643,
igr2= 631, 632, 631, 632,
&end
#
# 87 LEU HN 122 TYR HA 4.50 (# 2629:20 Unique 3.34, 3.56 A)
&rst
ixpk= 2629, nxpk= 20, iat=1335,1909, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 MET HB+ 51 MET HG+ 3.50 (# 2631:20 Unique 2.21, 2.69 A)
&rst
ixpk= 2631, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 768, 769,
igr2= 771, 772,
&end
#
# 124 VAL HN 125 ALA HN 5.50 (# 1:10 Unique 2.72, 3.91 A)
&rst
ixpk= 1, nxpk= 10, iat=1935,1951, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
&end
#
# 119 GLU HG+ 125 ALA HN 5.50 (# 2:10 Unique 1.93, 2.75 A)
&rst
ixpk= 2, nxpk= 10, iat= -1,1951, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1856,1857,
&end
#
# 0 AMB 10-2:3 125 ALA HN 5.50 (# 3:10 Single Ambig)
&rst
ixpk= 3, nxpk= 10, iat= -1,1951, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1853,1854,1856,1857,
&end
#
# 124 VAL HB 125 ALA HN 4.50 (# 4:10 Unique 3.77, 4.23 A)
&rst
ixpk= 4, nxpk= 10, iat=1939,1951, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 125 ALA MB 125 ALA HN 2.80 (# 5:10 Unique 2.07, 2.96 A)
&rst
ixpk= 5, nxpk= 10, iat= -1,1951, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1955,1956,1957,
&end
#
# 124 VAL MGX 125 ALA HN 3.50 (# 6:10 Unique 2.28, 4.33 A)
&rst
ixpk= 6, nxpk= 10, iat= -1,1951, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1941,1942,1943,1945,1946,1947,
&end
#
# 62 LYS HN 61 LYS HN 5.50 (# 7:10 Unique 4.35, 4.42 A)
&rst
ixpk= 7, nxpk= 10, iat= 936, 914, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 VAL HN 61 LYS HN 4.50 (# 8:10 Unique 4.39, 4.44 A)
&rst
ixpk= 8, nxpk= 10, iat= 898, 914, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 LYS HG+ 61 LYS HN 4.50 (# 9:10 Unique 2.44, 4.15 A)
&rst
ixpk= 9, nxpk= 10, iat= -1, 914, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 921, 922,
&end
#
# 60 VAL MGX 61 LYS HN 3.50 (# 10:10 Unique 2.15, 4.11 A)
&rst
ixpk= 10, nxpk= 10, iat= -1, 914, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 904, 905, 906, 908, 909, 910,
&end
#
# 60 VAL MGY 61 LYS HN 4.50 (# 11:10 Unique 2.15, 4.11 A)
&rst
ixpk= 11, nxpk= 10, iat= -1, 914, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 904, 905, 906, 908, 909, 910,
&end
#
# 36 LEU MDX 61 LYS HN 5.50 (# 12:10 Unique 4.44, 6.26 A)
&rst
ixpk= 12, nxpk= 10, iat= -1, 914, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 593, 594, 595, 597, 598, 599,
&end
#
# 74 TYR HB+ 15 GLU HN 5.50 (# 13:10 Unique 3.40, 4.62 A)
&rst
ixpk= 13, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1126,1127,
&end
#
# 0 AMB 10-2:14 15 GLU HN 5.50 (# 14:10 Single Ambig)
&rst
ixpk= 14, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 215, 216, 426, 427, 428,
&end
#
# 15 GLU HG- 15 GLU HN 4.50 (# 15:10 Unique 2.58, 4.40 A)
&rst
ixpk= 15, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 231, 232,
&end
#
# 14 ILE QG2 15 GLU HN 2.80 (# 16:10 Unique 1.95, 3.10 A)
&rst
ixpk= 16, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 211, 212, 213,
&end
#
# 75 GLN HN 15 GLU HN 3.50 (# 17:10 Unique 2.58, 2.96 A)
&rst
ixpk= 17, nxpk= 10, iat=1143, 224, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 14 ILE HA 15 GLU HN 2.80 (# 18:10 Unique 2.16, 2.21 A)
&rst
ixpk= 18, nxpk= 10, iat= 207, 224, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 15 GLU HA 15 GLU HN 3.50 (# 19:10 Unique 2.93, 2.95 A)
&rst
ixpk= 19, nxpk= 10, iat= 226, 224, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 14 ILE HB 15 GLU HN 5.50 (# 20:10 Unique 3.75, 3.95 A)
&rst
ixpk= 20, nxpk= 10, iat= 209, 224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 GLU HB- 15 GLU HN 3.50 (# 21:10 Unique 2.41, 2.89 A)
&rst
ixpk= 21, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 228, 229,
&end
#
# 114 GLU HN 24 TRP HE1 5.50 (# 22:10 Unique 5.09, 5.41 A)
&rst
ixpk= 22, nxpk= 10, iat=1767, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 TRP HZ2 24 TRP HE1 3.50 (# 23:10 Unique 2.82, 2.82 A)
&rst
ixpk= 23, nxpk= 10, iat= 411, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 24 TRP HD1 24 TRP HE1 2.80 (# 24:10 Unique 2.57, 2.57 A)
&rst
ixpk= 24, nxpk= 10, iat= 406, 408, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 110 SER HB+ 24 TRP HE1 5.50 (# 26:10 Unique 4.48, 6.16 A)
&rst
ixpk= 26, nxpk= 10, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1720,1721,
&end
#
# 22 ARG HB- 24 TRP HE1 4.50 (# 27:10 Unique 4.19, 5.45 A)
&rst
ixpk= 27, nxpk= 10, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 361, 362,
&end
#
# 114 GLU HB- 24 TRP HE1 5.50 (# 28:10 Unique 3.23, 4.18 A)
&rst
ixpk= 28, nxpk= 10, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1771,1772,
&end
#
# 22 ARG HG+ 24 TRP HE1 4.50 (# 29:10 Unique 4.21, 5.24 A)
&rst
ixpk= 29, nxpk= 10, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 364, 365,
&end
#
# 114 GLU HB+ 24 TRP HE1 3.50 (# 30:10 Unique 3.23, 4.18 A)
&rst
ixpk= 30, nxpk= 10, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1771,1772,
&end
#
# 114 GLU HG- 24 TRP HE1 5.50 (# 31:10 Unique 2.69, 4.12 A)
&rst
ixpk= 31, nxpk= 10, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1774,1775,
&end
#
# 0 AMB 10-2:32 61 LYS HN 3.50 (# 32:10 Single Ambig)
&rst
ixpk= 32, nxpk= 10, iat= -1, 914, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 580,1809,1813,
&end
#
# 61 LYS HA 61 LYS HN 3.50 (# 33:10 Unique 2.92, 2.93 A)
&rst
ixpk= 33, nxpk= 10, iat= 916, 914, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 LEU HA 61 LYS HN 4.50 (# 34:10 Unique 3.64, 3.83 A)
&rst
ixpk= 34, nxpk= 10, iat= 586, 914, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 VAL HA 61 LYS HN 2.80 (# 35:10 Unique 2.15, 2.18 A)
&rst
ixpk= 35, nxpk= 10, iat= 900, 914, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 VAL HB 61 LYS HN 5.50 (# 36:10 Unique 3.83, 4.03 A)
&rst
ixpk= 36, nxpk= 10, iat= 902, 914, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 LYS HB- 61 LYS HN 4.50 (# 37:10 Unique 2.49, 3.14 A)
&rst
ixpk= 37, nxpk= 10, iat= -1, 914, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 918, 919,
&end
#
# 61 LYS HB+ 61 LYS HN 3.50 (# 38:10 Unique 2.49, 3.14 A)
&rst
ixpk= 38, nxpk= 10, iat= -1, 914, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 918, 919,
&end
#
# 61 LYS HG- 61 LYS HN 4.50 (# 39:10 Unique 2.44, 4.15 A)
&rst
ixpk= 39, nxpk= 10, iat= -1, 914, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 921, 922,
&end
#
# 0 AMB 10-2:40 61 LYS HN 3.50 (# 40:10 Single Ambig)
&rst
ixpk= 40, nxpk= 10, iat= -1, 914, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 557, 558, 559, 561, 562, 563,1556,1557,1558,1560,
1561,1562,
&end
#
# 0 AMB 10-2:41 17 PHE HN 5.50 (# 41:10 Single Ambig)
&rst
ixpk= 41, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 239,1100,
&end
#
# 17 PHE HD 17 PHE HN 3.50 (# 42:10 Unique 2.48, 3.97 A)
&rst
ixpk= 42, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 266, 274,
&end
#
# 74 TYR HA 17 PHE HN 4.50 (# 43:10 Unique 2.10, 2.65 A)
&rst
ixpk= 43, nxpk= 10, iat=1124, 258, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:44 17 PHE HN 2.80 (# 44:10 Single Ambig)
&rst
ixpk= 44, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 241, 260,
&end
#
# 17 PHE HB+ 17 PHE HN 3.50 (# 45:10 Unique 2.12, 2.95 A)
&rst
ixpk= 45, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 262, 263,
&end
#
# 74 TYR HB+ 17 PHE HN 3.50 (# 46:10 Unique 2.66, 3.72 A)
&rst
ixpk= 46, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1126,1127,
&end
#
# 73 LYS HB+ 17 PHE HN 5.50 (# 47:10 Unique 3.12, 5.09 A)
&rst
ixpk= 47, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1104,1105,
&end
#
# 0 AMB 10-2:48 17 PHE HN 5.50 (# 48:10 Single Ambig)
&rst
ixpk= 48, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1107,1108, 285, 286, 249, 250,
&end
#
# 16 ILE QG2 17 PHE HN 3.50 (# 49:10 Unique 2.15, 3.90 A)
&rst
ixpk= 49, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 245, 246, 247,
&end
#
# 14 ILE QG2 17 PHE HN 5.50 (# 50:10 Unique 6.17, 6.99 A)
&rst
ixpk= 50, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 211, 212, 213,
&end
#
# 13 LEU HA 27 TYR HN 5.50 (# 51:10 Unique 2.78, 3.05 A)
&rst
ixpk= 51, nxpk= 10, iat= 188, 451, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 TYR HB+ 27 TYR HN 3.50 (# 52:10 Unique 2.25, 2.63 A)
&rst
ixpk= 52, nxpk= 10, iat= -1, 451, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 455, 456,
&end
#
# 26 ILE HG1+ 27 TYR HN 3.50 (# 53:10 Unique 2.17, 3.04 A)
&rst
ixpk= 53, nxpk= 10, iat= -1, 451, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 442, 443,
&end
#
# 14 ILE HG1- 27 TYR HN 3.50 (# 54:10 Unique 2.21, 3.29 A)
&rst
ixpk= 54, nxpk= 10, iat= -1, 451, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 215, 216,
&end
#
# 0 AMB 10-2:55 27 TYR HN 3.50 (# 55:10 Single Ambig)
&rst
ixpk= 55, nxpk= 10, iat= -1, 451, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 195, 196, 197, 199, 200, 201, 541, 542, 543, 545,
546, 547,
&end
#
# 0 AMB 10-2:56 27 TYR HN 4.50 (# 56:10 Single Ambig)
&rst
ixpk= 56, nxpk= 10, iat= -1, 451, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 218, 219, 220, 478, 479, 480, 482, 483, 484,
&end
#
# 12 ASP HN 27 TYR HN 5.50 (# 57:10 Unique 3.35, 3.52 A)
&rst
ixpk= 57, nxpk= 10, iat= 174, 451, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 TYR HD 27 TYR HN 5.50 (# 58:10 Unique 4.37, 4.76 A)
&rst
ixpk= 58, nxpk= 10, iat= -1, 451, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 459, 468,
&end
#
# 26 ILE HA 27 TYR HN 2.80 (# 59:10 Unique 2.14, 2.18 A)
&rst
ixpk= 59, nxpk= 10, iat= 434, 451, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 27 TYR HA 27 TYR HN 3.50 (# 60:10 Unique 2.81, 2.90 A)
&rst
ixpk= 60, nxpk= 10, iat= 453, 451, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 TYR HB- 27 TYR HN 3.50 (# 61:10 Unique 2.25, 2.63 A)
&rst
ixpk= 61, nxpk= 10, iat= -1, 451, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 455, 456,
&end
#
# 14 ILE HG1+ 27 TYR HN 4.50 (# 62:10 Unique 2.21, 3.29 A)
&rst
ixpk= 62, nxpk= 10, iat= -1, 451, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 215, 216,
&end
#
# 26 ILE HG1- 27 TYR HN 3.50 (# 63:10 Unique 2.17, 3.04 A)
&rst
ixpk= 63, nxpk= 10, iat= -1, 451, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 442, 443,
&end
#
# 43 ALA HA 43 ALA HN 3.50 (# 67:10 Unique 2.28, 2.63 A)
&rst
ixpk= 67, nxpk= 10, iat= 685, 683, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 VAL HA 43 ALA HN 3.50 (# 68:10 Unique 2.42, 2.87 A)
&rst
ixpk= 68, nxpk= 10, iat= 669, 683, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:69 43 ALA HN 5.50 (# 69:10 Single Ambig)
&rst
ixpk= 69, nxpk= 10, iat= -1, 683, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 671, 656, 657,
&end
#
# 43 ALA MB 43 ALA HN 3.50 (# 70:10 Unique 2.08, 3.37 A)
&rst
ixpk= 70, nxpk= 10, iat= -1, 683, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 687, 688, 689,
&end
#
# 42 VAL MGY 43 ALA HN 5.50 (# 71:10 Unique 1.95, 4.10 A)
&rst
ixpk= 71, nxpk= 10, iat= -1, 683, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 673, 674, 675, 677, 678, 679,
&end
#
# 77 ASN HB- 77 ASN HN 4.50 (# 72:10 Unique 2.51, 2.99 A)
&rst
ixpk= 72, nxpk= 10, iat= -1,1176, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1180,1181,
&end
#
# 0 AMB 10-2:73 77 ASN HN 4.50 (# 73:10 Single Ambig)
&rst
ixpk= 73, nxpk= 10, iat= -1,1176, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 190, 191,1214,1215,
&end
#
# 76 VAL HA 77 ASN HN 2.80 (# 75:10 Unique 2.14, 2.17 A)
&rst
ixpk= 75, nxpk= 10, iat=1162,1176, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 77 ASN HB+ 77 ASN HN 4.50 (# 76:10 Unique 2.51, 2.99 A)
&rst
ixpk= 76, nxpk= 10, iat= -1,1176, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1180,1181,
&end
#
# 0 AMB 10-2:77 77 ASN HN 2.80 (# 77:10 Single Ambig)
&rst
ixpk= 77, nxpk= 10, iat= -1,1176, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1166,1167,1168,1170,1171,1172, 231, 232,
&end
#
# 0 AMB 10-2:78 77 ASN HN 4.50 (# 78:10 Single Ambig)
&rst
ixpk= 78, nxpk= 10, iat= -1,1176, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 218, 219, 220, 231, 232,
&end
#
# 33 VAL HN 65 LEU HN 4.50 (# 79:10 Unique 3.17, 3.65 A)
&rst
ixpk= 79, nxpk= 10, iat= 535, 992, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 TYR HN 65 LEU HN 3.50 (# 80:10 Unique 2.71, 2.82 A)
&rst
ixpk= 80, nxpk= 10, iat=1011, 992, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 TYR HA 65 LEU HN 3.50 (# 81:10 Unique 2.69, 3.38 A)
&rst
ixpk= 81, nxpk= 10, iat= 516, 992, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 LEU HA 65 LEU HN 3.50 (# 82:10 Unique 2.14, 2.14 A)
&rst
ixpk= 82, nxpk= 10, iat= 975, 992, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 LEU HA 65 LEU HN 3.50 (# 83:10 Unique 2.73, 2.74 A)
&rst
ixpk= 83, nxpk= 10, iat= 994, 992, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 LEU HB- 65 LEU HN 2.80 (# 84:10 Unique 2.06, 2.59 A)
&rst
ixpk= 84, nxpk= 10, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 996, 997,
&end
#
# 65 LEU HB+ 65 LEU HN 2.80 (# 85:10 Unique 2.06, 2.59 A)
&rst
ixpk= 85, nxpk= 10, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 996, 997,
&end
#
# 65 LEU HG 65 LEU HN 4.50 (# 86:10 Unique 3.76, 3.90 A)
&rst
ixpk= 86, nxpk= 10, iat= 999, 992, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:87 65 LEU HN 3.50 (# 87:10 Single Ambig)
&rst
ixpk= 87, nxpk= 10, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 541, 542, 543, 545, 546, 547, 982, 983, 984, 986,
987, 988,
&end
#
# 65 LEU MDY 65 LEU HN 4.50 (# 88:10 Unique 4.07, 5.13 A)
&rst
ixpk= 88, nxpk= 10, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1001,1002,1003,1005,1006,1007,
&end
#
# 0 AMB 10-2:89 65 LEU HN 4.50 (# 89:10 Single Ambig)
&rst
ixpk= 89, nxpk= 10, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 541, 542, 543, 545, 546, 547,1050,1051,1052,1054,
1055,1056,
&end
#
# 64 LEU MDX 65 LEU HN 3.50 (# 90:10 Unique 2.63, 5.12 A)
&rst
ixpk= 90, nxpk= 10, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 982, 983, 984, 986, 987, 988,
&end
#
# 65 LEU MDX 65 LEU HN 5.50 (# 91:10 Unique 4.07, 5.13 A)
&rst
ixpk= 91, nxpk= 10, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1001,1002,1003,1005,1006,1007,
&end
#
# 33 VAL HN 63 GLU HN 3.50 (# 92:10 Unique 2.49, 2.75 A)
&rst
ixpk= 92, nxpk= 10, iat= 535, 958, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:93 63 GLU HN 5.50 (# 93:10 Single Ambig)
&rst
ixpk= 93, nxpk= 10, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 580, 524, 529,
&end
#
# 32 TYR HD 63 GLU HN 3.50 (# 94:10 Unique 3.84, 5.58 A)
&rst
ixpk= 94, nxpk= 10, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 522, 531,
&end
#
# 62 LYS HA 63 GLU HN 2.80 (# 95:10 Unique 2.14, 2.15 A)
&rst
ixpk= 95, nxpk= 10, iat= 938, 958, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 34 VAL HA 63 GLU HN 4.50 (# 96:10 Unique 3.40, 3.74 A)
&rst
ixpk= 96, nxpk= 10, iat= 553, 958, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 63 GLU HA 63 GLU HN 3.50 (# 97:10 Unique 2.88, 2.89 A)
&rst
ixpk= 97, nxpk= 10, iat= 960, 958, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 GLU HG- 63 GLU HN 4.50 (# 99:10 Unique 3.58, 3.98 A)
&rst
ixpk= 99, nxpk= 10, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 965, 966,
&end
#
# 0 AMB 10-2:100 63 GLU HN 3.50 (# 100:10 Single Ambig)
&rst
ixpk= 100, nxpk= 10, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 962, 963, 965, 966,
&end
#
# 0 AMB 10-2:101 63 GLU HN 4.50 (# 101:10 Single Ambig)
&rst
ixpk= 101, nxpk= 10, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 940, 941, 949, 950,
&end
#
# 63 GLU HB+ 63 GLU HN 2.80 (# 102:10 Unique 2.85, 3.37 A)
&rst
ixpk= 102, nxpk= 10, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 962, 963,
&end
#
# 62 LYS HG+ 63 GLU HN 3.50 (# 103:10 Unique 2.82, 3.26 A)
&rst
ixpk= 103, nxpk= 10, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 943, 944,
&end
#
# 62 LYS HG- 63 GLU HN 3.50 (# 104:10 Unique 2.82, 3.26 A)
&rst
ixpk= 104, nxpk= 10, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 943, 944,
&end
#
# 33 VAL MGX 63 GLU HN 4.50 (# 105:10 Unique 2.94, 5.14 A)
&rst
ixpk= 105, nxpk= 10, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 541, 542, 543, 545, 546, 547,
&end
#
# 0 AMB 10-2:106 63 GLU HN 3.50 (# 106:10 Single Ambig)
&rst
ixpk= 106, nxpk= 10, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
1055,1056, 541, 542, 543, 545, 546, 547,
&end
#
# 18 ARG HN 23 HIS HN 4.50 (# 107:10 Unique 3.54, 3.99 A)
&rst
ixpk= 107, nxpk= 10, iat= 278, 381, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 23 HIS HA 23 HIS HN 3.50 (# 108:10 Unique 2.88, 2.94 A)
&rst
ixpk= 108, nxpk= 10, iat= 383, 381, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 HIS HB+ 23 HIS HN 3.50 (# 109:10 Unique 2.46, 2.95 A)
&rst
ixpk= 109, nxpk= 10, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 385, 386,
&end
#
# 23 HIS HB- 23 HIS HN 3.50 (# 110:10 Unique 2.46, 2.95 A)
&rst
ixpk= 110, nxpk= 10, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 385, 386,
&end
#
# 22 ARG HB- 23 HIS HN 5.50 (# 111:10 Unique 1.91, 3.24 A)
&rst
ixpk= 111, nxpk= 10, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 361, 362,
&end
#
# 16 ILE HB 23 HIS HN 2.80 (# 112:10 Unique 1.90, 2.19 A)
&rst
ixpk= 112, nxpk= 10, iat= 243, 381, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 16 ILE QG2 23 HIS HN 5.50 (# 113:10 Unique 3.10, 4.18 A)
&rst
ixpk= 113, nxpk= 10, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 245, 246, 247,
&end
#
# 0 AMB 10-2:114 23 HIS HN 4.50 (# 114:10 Single Ambig)
&rst
ixpk= 114, nxpk= 10, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 260, 241,
&end
#
# 79 LYS HN 78 ASN HN 4.50 (# 115:10 Unique 4.41, 4.55 A)
&rst
ixpk= 115, nxpk= 10, iat=1204,1190, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 ASN HD2+ 78 ASN HN 3.50 (# 116:10 Unique 1.90, 3.39 A)
&rst
ixpk= 116, nxpk= 10, iat= -1,1190, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1199,1200,
&end
#
# 78 ASN HA 78 ASN HN 3.50 (# 117:10 Unique 2.75, 2.85 A)
&rst
ixpk= 117, nxpk= 10, iat=1192,1190, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 78 ASN HB- 78 ASN HN 3.50 (# 119:10 Unique 2.18, 3.09 A)
&rst
ixpk= 119, nxpk= 10, iat= -1,1190, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1194,1195,
&end
#
# 78 ASN HB+ 78 ASN HN 2.80 (# 120:10 Unique 2.18, 3.09 A)
&rst
ixpk= 120, nxpk= 10, iat= -1,1190, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1194,1195,
&end
#
# 76 VAL MGY 78 ASN HN 3.50 (# 121:10 Unique 3.34, 5.44 A)
&rst
ixpk= 121, nxpk= 10, iat= -1,1190, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 23 HIS HN 16 ILE HN 3.50 (# 122:10 Unique 2.75, 3.07 A)
&rst
ixpk= 122, nxpk= 10, iat= 381, 239, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 24 TRP HA 16 ILE HN 4.50 (# 123:10 Unique 3.05, 3.17 A)
&rst
ixpk= 123, nxpk= 10, iat= 400, 239, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 15 GLU HA 16 ILE HN 2.80 (# 124:10 Unique 2.14, 2.15 A)
&rst
ixpk= 124, nxpk= 10, iat= 226, 239, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 23 HIS HB+ 16 ILE HN 5.50 (# 125:10 Unique 2.99, 4.37 A)
&rst
ixpk= 125, nxpk= 10, iat= -1, 239, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 385, 386,
&end
#
# 23 HIS HB- 16 ILE HN 4.50 (# 126:10 Unique 2.99, 4.37 A)
&rst
ixpk= 126, nxpk= 10, iat= -1, 239, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 385, 386,
&end
#
# 74 TYR HB+ 16 ILE HN 4.50 (# 127:10 Unique 4.29, 4.70 A)
&rst
ixpk= 127, nxpk= 10, iat= -1, 239, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1126,1127,
&end
#
# 16 ILE HB 16 ILE HN 2.80 (# 128:10 Unique 2.51, 2.63 A)
&rst
ixpk= 128, nxpk= 10, iat= 243, 239, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 16 ILE QG2 16 ILE HN 4.50 (# 129:10 Unique 4.37, 4.61 A)
&rst
ixpk= 129, nxpk= 10, iat= -1, 239, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 245, 246, 247,
&end
#
# 15 GLU HB+ 16 ILE HN 4.50 (# 130:10 Unique 3.31, 4.22 A)
&rst
ixpk= 130, nxpk= 10, iat= -1, 239, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 228, 229,
&end
#
# 16 ILE HA 16 ILE HN 3.50 (# 131:10 Unique 2.92, 2.93 A)
&rst
ixpk= 131, nxpk= 10, iat= 241, 239, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 107 LYS HN 108 LEU HN 5.50 (# 132:10 Unique 1.97, 4.37 A)
&rst
ixpk= 132, nxpk= 10, iat=1661,1683, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 109 THR HN 108 LEU HN 5.50 (# 133:10 Unique 2.78, 3.69 A)
&rst
ixpk= 133, nxpk= 10, iat=1702,1683, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:135 108 LEU HN 2.80 (# 135:10 Single Ambig)
&rst
ixpk= 135, nxpk= 10, iat= -1,1683, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1685,1663,
&end
#
# 0 AMB 10-2:136 108 LEU HN 2.80 (# 136:10 Single Ambig)
&rst
ixpk= 136, nxpk= 10, iat= -1,1683, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1665,1666,1687,1688,
&end
#
# 108 LEU HB+ 108 LEU HN 2.80 (# 137:10 Unique 2.10, 2.98 A)
&rst
ixpk= 137, nxpk= 10, iat= -1,1683, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1687,1688,
&end
#
# 108 LEU MDY 108 LEU HN 4.50 (# 138:10 Unique 1.93, 4.67 A)
&rst
ixpk= 138, nxpk= 10, iat= -1,1683, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1692,1693,1694,1696,1697,1698,
&end
#
# 108 LEU MDX 108 LEU HN 3.50 (# 139:10 Unique 1.93, 4.67 A)
&rst
ixpk= 139, nxpk= 10, iat= -1,1683, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1692,1693,1694,1696,1697,1698,
&end
#
# 100 VAL HA 60 VAL HN 5.50 (# 141:10 Unique 4.54, 4.63 A)
&rst
ixpk= 141, nxpk= 10, iat=1552, 898, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:142 60 VAL HN 2.80 (# 142:10 Single Ambig)
&rst
ixpk= 142, nxpk= 10, iat= -1, 898, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 902,1580,1581,
&end
#
# 59 ILE HB 60 VAL HN 4.50 (# 143:10 Unique 2.15, 2.44 A)
&rst
ixpk= 143, nxpk= 10, iat= 883, 898, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:144 60 VAL HN 2.80 (# 144:10 Single Ambig)
&rst
ixpk= 144, nxpk= 10, iat= -1, 898, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 885, 886, 887, 904, 905, 906, 908, 909, 910,
&end
#
# 36 LEU MDX 60 VAL HN 5.50 (# 145:10 Unique 4.16, 5.87 A)
&rst
ixpk= 145, nxpk= 10, iat= -1, 898, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 593, 594, 595, 597, 598, 599,
&end
#
# 0 AMB 10-2:150 62 LYS HN 5.50 (# 150:10 Single Ambig)
&rst
ixpk= 150, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 914, 567,
&end
#
# 63 GLU HN 62 LYS HN 5.50 (# 151:10 Unique 4.14, 4.24 A)
&rst
ixpk= 151, nxpk= 10, iat= 958, 936, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 LYS HA 62 LYS HN 3.50 (# 152:10 Unique 2.92, 2.94 A)
&rst
ixpk= 152, nxpk= 10, iat= 938, 936, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 61 LYS HA 62 LYS HN 2.80 (# 153:10 Unique 2.17, 2.29 A)
&rst
ixpk= 153, nxpk= 10, iat= 916, 936, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 61 LYS HB- 62 LYS HN 3.50 (# 154:10 Unique 2.59, 3.45 A)
&rst
ixpk= 154, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 918, 919,
&end
#
# 62 LYS HB+ 62 LYS HN 2.80 (# 155:10 Unique 2.54, 2.95 A)
&rst
ixpk= 155, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 940, 941,
&end
#
# 61 LYS HG+ 62 LYS HN 3.50 (# 156:10 Unique 2.64, 3.98 A)
&rst
ixpk= 156, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 921, 922,
&end
#
# 61 LYS HG- 62 LYS HN 3.50 (# 157:10 Unique 2.64, 3.98 A)
&rst
ixpk= 157, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 921, 922,
&end
#
# 122 TYR HA 87 LEU HN 4.50 (# 158:10 Unique 3.34, 3.56 A)
&rst
ixpk= 158, nxpk= 10, iat=1909,1335, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 86 PRO HA 87 LEU HN 3.50 (# 159:10 Unique 3.33, 3.38 A)
&rst
ixpk= 159, nxpk= 10, iat=1331,1335, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 87 LEU HA 87 LEU HN 3.50 (# 160:10 Unique 2.74, 2.91 A)
&rst
ixpk= 160, nxpk= 10, iat=1337,1335, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 86 PRO HD- 87 LEU HN 5.50 (# 161:10 Unique 2.77, 3.40 A)
&rst
ixpk= 161, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1322,1323,
&end
#
# 0 AMB 10-2:162 87 LEU HN 4.50 (# 162:10 Single Ambig)
&rst
ixpk= 162, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1328,1329,1394,1395,
&end
#
# 0 AMB 10-2:163 87 LEU HN 2.80 (# 163:10 Single Ambig)
&rst
ixpk= 163, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1342,1339,1340,
&end
#
# 92 ILE HG1- 87 LEU HN 5.50 (# 164:10 Unique 4.76, 5.50 A)
&rst
ixpk= 164, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1422,1423,
&end
#
# 87 LEU HB- 87 LEU HN 3.50 (# 165:10 Unique 2.31, 3.19 A)
&rst
ixpk= 165, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1339,1340,
&end
#
# 92 ILE QD1 87 LEU HN 4.50 (# 166:10 Unique 4.40, 5.83 A)
&rst
ixpk= 166, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1425,1426,1427,
&end
#
# 87 LEU MDX 87 LEU HN 3.50 (# 167:10 Unique 2.21, 4.63 A)
&rst
ixpk= 167, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1344,1345,1346,1348,1349,1350,
&end
#
# 87 LEU MDY 87 LEU HN 3.50 (# 168:10 Unique 2.21, 4.63 A)
&rst
ixpk= 168, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1344,1345,1346,1348,1349,1350,
&end
#
# 101 GLY HN 60 VAL HN 5.50 (# 169:10 Unique 3.53, 3.83 A)
&rst
ixpk= 169, nxpk= 10, iat=1566, 898, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 102 GLN HN 60 VAL HN 3.50 (# 170:10 Unique 2.78, 3.26 A)
&rst
ixpk= 170, nxpk= 10, iat=1573, 898, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 ILE HA 60 VAL HN 2.80 (# 171:10 Unique 2.25, 2.49 A)
&rst
ixpk= 171, nxpk= 10, iat= 881, 898, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 VAL HA 60 VAL HN 5.50 (# 172:10 Unique 2.90, 2.94 A)
&rst
ixpk= 172, nxpk= 10, iat= 900, 898, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 59 ILE HG1- 60 VAL HN 3.50 (# 173:10 Unique 2.40, 3.61 A)
&rst
ixpk= 173, nxpk= 10, iat= -1, 898, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 889, 890,
&end
#
# 59 ILE HG1+ 60 VAL HN 3.50 (# 174:10 Unique 2.40, 3.61 A)
&rst
ixpk= 174, nxpk= 10, iat= -1, 898, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 889, 890,
&end
#
# 60 VAL MGX 60 VAL HN 4.50 (# 175:10 Unique 2.34, 4.04 A)
&rst
ixpk= 175, nxpk= 10, iat= -1, 898, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 904, 905, 906, 908, 909, 910,
&end
#
# 0 AMB 10-2:176 35 HIS HN 2.80 (# 176:10 Single Ambig)
&rst
ixpk= 176, nxpk= 10, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 580,1809,1813,
&end
#
# 62 LYS HA 35 HIS HN 3.50 (# 177:10 Unique 3.50, 3.64 A)
&rst
ixpk= 177, nxpk= 10, iat= 938, 567, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 VAL HA 35 HIS HN 2.80 (# 178:10 Unique 2.16, 2.21 A)
&rst
ixpk= 178, nxpk= 10, iat= 553, 567, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 35 HIS HA 35 HIS HN 3.50 (# 179:10 Unique 2.85, 2.90 A)
&rst
ixpk= 179, nxpk= 10, iat= 569, 567, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 VAL HA 35 HIS HN 5.50 (# 180:10 Unique 4.28, 4.47 A)
&rst
ixpk= 180, nxpk= 10, iat= 900, 567, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 35 HIS HB+ 35 HIS HN 4.50 (# 181:10 Unique 3.20, 3.64 A)
&rst
ixpk= 181, nxpk= 10, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 571, 572,
&end
#
# 34 VAL MGX 35 HIS HN 2.80 (# 182:10 Unique 1.94, 4.18 A)
&rst
ixpk= 182, nxpk= 10, iat= -1, 567, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 557, 558, 559, 561, 562, 563,
&end
#
# 63 GLU HG- 62 LYS HN 5.50 (# 183:10 Unique 3.39, 4.13 A)
&rst
ixpk= 183, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 965, 966,
&end
#
# 0 AMB 10-2:184 0 AMB 10-1:184 2.80 (# 184:10 Double Ambig)
&rst
ixpk= 184, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 940, 941,1164,
igr2= 936,1160,
&end
#
# 0 AMB 10-2:185 76 VAL HN 2.80 (# 185:10 Single Ambig)
&rst
ixpk= 185, nxpk= 10, iat= -1,1160, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
1171,1172,
&end
#
# 106 TYR HN 105 LEU HN 3.50 (# 186:10 Unique 1.86, 2.06 A)
&rst
ixpk= 186, nxpk= 10, iat=1640,1621, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 106 TYR HD 105 LEU HN 5.50 (# 187:10 Unique 3.04, 4.39 A)
&rst
ixpk= 187, nxpk= 10, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1648,1657,
&end
#
# 0 AMB 10-2:188 0 AMB 10-1:188 2.80 (# 188:10 Double Ambig)
&rst
ixpk= 188, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 104,1607,1623,
igr2= 102,1621,
&end
#
# 104 VAL HB 105 LEU HN 2.80 (# 189:10 Unique 1.84, 1.89 A)
&rst
ixpk= 189, nxpk= 10, iat=1609,1621, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:190 105 LEU HN 2.80 (# 190:10 Single Ambig)
&rst
ixpk= 190, nxpk= 10, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1625,1626,1628,
&end
#
# 0 AMB 10-2:191 0 AMB 10-1:191 4.50 (# 191:10 Double Ambig)
&rst
ixpk= 191, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1630,1631,1632,1634,1635,1636, 75, 76, 77,
igr2=1621, 102,
&end
#
# 105 LEU MDY 105 LEU HN 3.50 (# 192:10 Unique 2.58, 4.69 A)
&rst
ixpk= 192, nxpk= 10, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1630,1631,1632,1634,1635,1636,
&end
#
# 104 VAL MGX 105 LEU HN 3.50 (# 193:10 Unique 2.55, 3.91 A)
&rst
ixpk= 193, nxpk= 10, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1611,1612,1613,1615,1616,1617,
&end
#
# 104 VAL MGY 105 LEU HN 4.50 (# 194:10 Unique 2.55, 3.91 A)
&rst
ixpk= 194, nxpk= 10, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1611,1612,1613,1615,1616,1617,
&end
#
# 71 SER HN 72 ASP HN 3.50 (# 195:10 Unique 1.84, 2.38 A)
&rst
ixpk= 195, nxpk= 10, iat=1077,1088, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 LYS HN 72 ASP HN 4.50 (# 196:10 Unique 1.80, 4.02 A)
&rst
ixpk= 196, nxpk= 10, iat=1100,1088, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 SER HB+ 72 ASP HN 3.50 (# 197:10 Unique 1.87, 3.71 A)
&rst
ixpk= 197, nxpk= 10, iat= -1,1088, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1081,1082,
&end
#
# 70 GLY HA+ 72 ASP HN 5.50 (# 198:10 Unique 3.05, 4.29 A)
&rst
ixpk= 198, nxpk= 10, iat= -1,1088, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1072,1073,
&end
#
# 72 ASP HB+ 72 ASP HN 2.80 (# 199:10 Unique 2.17, 3.21 A)
&rst
ixpk= 199, nxpk= 10, iat= -1,1088, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1092,1093,
&end
#
# 16 ILE QG2 72 ASP HN 4.50 (# 200:10 Unique 4.23, 5.34 A)
&rst
ixpk= 200, nxpk= 10, iat= -1,1088, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 245, 246, 247,
&end
#
# 72 ASP HA 72 ASP HN 2.80 (# 201:10 Unique 2.28, 2.78 A)
&rst
ixpk= 201, nxpk= 10, iat=1090,1088, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 71 SER HA 72 ASP HN 3.50 (# 202:10 Unique 3.10, 3.27 A)
&rst
ixpk= 202, nxpk= 10, iat=1079,1088, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:203 72 ASP HN 4.50 (# 203:10 Single Ambig)
&rst
ixpk= 203, nxpk= 10, iat= -1,1088, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1064,1065,1066,1107,1108,
&end
#
# 0 AMB 10-2:204 0 AMB 10-1:204 4.50 (# 204:10 Double Ambig)
&rst
ixpk= 204, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 958, 992,
igr2= 973, 567,
&end
#
# 0 AMB 10-2:205 0 AMB 10-1:205 2.80 (# 205:10 Double Ambig)
&rst
ixpk= 205, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 977, 978, 555,
igr2= 973, 567,
&end
#
# 64 LEU HB- 64 LEU HN 2.80 (# 206:10 Unique 2.04, 2.86 A)
&rst
ixpk= 206, nxpk= 10, iat= -1, 973, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 977, 978,
&end
#
# 0 AMB 10-2:207 0 AMB 10-1:207 2.80 (# 207:10 Double Ambig)
&rst
ixpk= 207, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 982, 983, 984, 986, 987, 988, 557, 558, 559, 561,
562, 563,
igr2= 973, 567,
&end
#
# 0 AMB 10-2:208 0 AMB 10-1:208 3.50 (# 208:10 Double Ambig)
&rst
ixpk= 208, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
1055,1056, 541, 542, 543, 545, 546, 547,
igr2= 973, 567,
&end
#
# 75 GLN HA 76 VAL HN 2.80 (# 209:10 Unique 2.34, 2.43 A)
&rst
ixpk= 209, nxpk= 10, iat=1145,1160, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 75 GLN HB- 76 VAL HN 2.80 (# 210:10 Unique 2.32, 3.03 A)
&rst
ixpk= 210, nxpk= 10, iat= -1,1160, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1147,1148,
&end
#
# 0 AMB 10-2:211 76 VAL HN 5.50 (# 211:10 Single Ambig)
&rst
ixpk= 211, nxpk= 10, iat= -1,1160, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 218, 219, 220, 124, 125, 211, 212, 213,
&end
#
# 6 PRO HA 7 GLU HN 3.50 (# 213:10 Unique 3.38, 3.50 A)
&rst
ixpk= 213, nxpk= 10, iat= 98, 102, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 PRO HB+ 7 GLU HN 3.50 (# 214:10 Unique 2.00, 3.58 A)
&rst
ixpk= 214, nxpk= 10, iat= -1, 102, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 95, 96,
&end
#
# 7 GLU HB+ 7 GLU HN 3.50 (# 215:10 Unique 2.13, 3.44 A)
&rst
ixpk= 215, nxpk= 10, iat= -1, 102, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 106, 107,
&end
#
# 32 TYR HD 64 LEU HN 3.50 (# 216:10 Unique 2.35, 4.58 A)
&rst
ixpk= 216, nxpk= 10, iat= -1, 973, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 522, 531,
&end
#
# 63 GLU HA 64 LEU HN 2.80 (# 217:10 Unique 2.44, 2.46 A)
&rst
ixpk= 217, nxpk= 10, iat= 960, 973, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 64 LEU HA 64 LEU HN 3.50 (# 218:10 Unique 2.70, 2.75 A)
&rst
ixpk= 218, nxpk= 10, iat= 975, 973, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:219 64 LEU HN 4.50 (# 219:10 Single Ambig)
&rst
ixpk= 219, nxpk= 10, iat= -1, 973, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1036,1037,1036,1037,
&end
#
# 63 GLU HG- 64 LEU HN 4.50 (# 220:10 Unique 3.60, 4.28 A)
&rst
ixpk= 220, nxpk= 10, iat= -1, 973, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 965, 966,
&end
#
# 63 GLU HB- 64 LEU HN 3.50 (# 221:10 Unique 2.23, 2.97 A)
&rst
ixpk= 221, nxpk= 10, iat= -1, 973, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 962, 963,
&end
#
# 64 LEU HG 64 LEU HN 4.50 (# 222:10 Unique 2.12, 3.08 A)
&rst
ixpk= 222, nxpk= 10, iat= 980, 973, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 LEU MDX 64 LEU HN 4.50 (# 223:10 Unique 1.90, 4.47 A)
&rst
ixpk= 223, nxpk= 10, iat= -1, 973, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 982, 983, 984, 986, 987, 988,
&end
#
# 23 HIS HN 18 ARG HN 4.50 (# 224:10 Unique 3.54, 3.99 A)
&rst
ixpk= 224, nxpk= 10, iat= 381, 278, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 17 PHE HD 18 ARG HN 4.50 (# 225:10 Unique 3.35, 5.11 A)
&rst
ixpk= 225, nxpk= 10, iat= -1, 278, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 266, 274,
&end
#
# 0 AMB 10-2:227 18 ARG HN 2.80 (# 227:10 Single Ambig)
&rst
ixpk= 227, nxpk= 10, iat= -1, 278, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 260, 280,
&end
#
# 0 AMB 10-2:229 18 ARG HN 5.50 (# 229:10 Single Ambig)
&rst
ixpk= 229, nxpk= 10, iat= -1, 278, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 303, 304, 367, 368,
&end
#
# 18 ARG HD+ 18 ARG HN 5.50 (# 230:10 Unique 4.54, 5.21 A)
&rst
ixpk= 230, nxpk= 10, iat= -1, 278, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 288, 289,
&end
#
# 0 AMB 10-2:231 18 ARG HN 3.50 (# 231:10 Single Ambig)
&rst
ixpk= 231, nxpk= 10, iat= -1, 278, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 262, 263, 288, 289,
&end
#
# 23 HIS HB- 18 ARG HN 5.50 (# 232:10 Unique 4.68, 5.90 A)
&rst
ixpk= 232, nxpk= 10, iat= -1, 278, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 385, 386,
&end
#
# 18 ARG HB+ 18 ARG HN 2.80 (# 234:10 Unique 2.21, 2.88 A)
&rst
ixpk= 234, nxpk= 10, iat= -1, 278, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 282, 283,
&end
#
# 18 ARG HG- 18 ARG HN 3.50 (# 235:10 Unique 2.34, 3.86 A)
&rst
ixpk= 235, nxpk= 10, iat= -1, 278, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 285, 286,
&end
#
# 16 ILE QG2 18 ARG HN 5.50 (# 236:10 Unique 3.76, 5.00 A)
&rst
ixpk= 236, nxpk= 10, iat= -1, 278, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 245, 246, 247,
&end
#
# 0 AMB 10-2:237 14 ILE HN 3.50 (# 237:10 Single Ambig)
&rst
ixpk= 237, nxpk= 10, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 422, 186,
&end
#
# 24 TRP HZ3 14 ILE HN 5.50 (# 238:10 Unique 3.05, 3.69 A)
&rst
ixpk= 238, nxpk= 10, iat= 415, 205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 ILE HA 14 ILE HN 3.50 (# 239:10 Unique 2.52, 2.90 A)
&rst
ixpk= 239, nxpk= 10, iat= 434, 205, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 LEU HA 14 ILE HN 2.80 (# 240:10 Unique 2.15, 2.25 A)
&rst
ixpk= 240, nxpk= 10, iat= 188, 205, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 13 LEU HB+ 14 ILE HN 4.50 (# 241:10 Unique 2.49, 3.50 A)
&rst
ixpk= 241, nxpk= 10, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 190, 191,
&end
#
# 14 ILE HB 14 ILE HN 2.80 (# 242:10 Unique 2.55, 2.71 A)
&rst
ixpk= 242, nxpk= 10, iat= 209, 205, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 14 ILE HG1- 14 ILE HN 2.80 (# 243:10 Unique 2.12, 3.42 A)
&rst
ixpk= 243, nxpk= 10, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 215, 216,
&end
#
# 14 ILE HG1+ 14 ILE HN 3.50 (# 244:10 Unique 2.12, 3.42 A)
&rst
ixpk= 244, nxpk= 10, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 215, 216,
&end
#
# 13 LEU MDY 14 ILE HN 3.50 (# 245:10 Unique 2.63, 4.68 A)
&rst
ixpk= 245, nxpk= 10, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 195, 196, 197, 199, 200, 201,
&end
#
# 14 ILE HA 14 ILE HN 4.50 (# 246:10 Unique 2.90, 2.94 A)
&rst
ixpk= 246, nxpk= 10, iat= 207, 205, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:247 14 ILE HN 3.50 (# 247:10 Single Ambig)
&rst
ixpk= 247, nxpk= 10, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 218, 219, 220, 211, 212, 213,
&end
#
# 55 THR HN 56 ASP HN 4.50 (# 248:10 Unique 2.27, 3.79 A)
&rst
ixpk= 248, nxpk= 10, iat= 821, 835, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 LYS HN 56 ASP HN 3.50 (# 249:10 Unique 2.63, 3.17 A)
&rst
ixpk= 249, nxpk= 10, iat= 847, 835, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 56 ASP HA 56 ASP HN 3.50 (# 251:10 Unique 2.27, 2.83 A)
&rst
ixpk= 251, nxpk= 10, iat= 837, 835, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 55 THR HA 56 ASP HN 2.80 (# 252:10 Unique 2.14, 2.36 A)
&rst
ixpk= 252, nxpk= 10, iat= 823, 835, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:253 56 ASP HN 3.50 (# 253:10 Single Ambig)
&rst
ixpk= 253, nxpk= 10, iat= -1, 835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 825,1663,
&end
#
# 0 AMB 10-2:254 56 ASP HN 3.50 (# 254:10 Single Ambig)
&rst
ixpk= 254, nxpk= 10, iat= -1, 835, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 839, 840, 839, 840,
&end
#
# 55 THR MG2 56 ASP HN 4.50 (# 255:10 Unique 2.81, 4.74 A)
&rst
ixpk= 255, nxpk= 10, iat= -1, 835, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 827, 828, 829,
&end
#
# 0 AMB 10-2:256 25 ALA HN 5.50 (# 256:10 Single Ambig)
&rst
ixpk= 256, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 215, 216, 228, 229, 436,
&end
#
# 14 ILE HN 25 ALA HN 3.50 (# 257:10 Unique 3.07, 3.27 A)
&rst
ixpk= 257, nxpk= 10, iat= 205, 422, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 24 TRP HZ3 25 ALA HN 5.50 (# 258:10 Unique 4.58, 4.62 A)
&rst
ixpk= 258, nxpk= 10, iat= 415, 422, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:259 25 ALA HN 2.80 (# 259:10 Single Ambig)
&rst
ixpk= 259, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 400, 417,
&end
#
# 25 ALA HA 25 ALA HN 3.50 (# 260:10 Unique 2.87, 2.91 A)
&rst
ixpk= 260, nxpk= 10, iat= 424, 422, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 24 TRP HB- 25 ALA HN 3.50 (# 261:10 Unique 2.87, 3.63 A)
&rst
ixpk= 261, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 402, 403,
&end
#
# 24 TRP HB+ 25 ALA HN 4.50 (# 262:10 Unique 2.87, 3.63 A)
&rst
ixpk= 262, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 402, 403,
&end
#
# 14 ILE HB 25 ALA HN 3.50 (# 263:10 Unique 2.95, 3.32 A)
&rst
ixpk= 263, nxpk= 10, iat= 209, 422, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 117 VAL MGX 25 ALA HN 5.50 (# 264:10 Unique 3.10, 4.84 A)
&rst
ixpk= 264, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1825,1826,1827,1829,1830,1831,
&end
#
# 0 AMB 10-2:265 25 ALA HN 2.80 (# 265:10 Single Ambig)
&rst
ixpk= 265, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 426, 427, 428,1825,1826,1827,1829,1830,1831,
&end
#
# 13 LEU MDY 25 ALA HN 5.50 (# 266:10 Unique 3.82, 6.30 A)
&rst
ixpk= 266, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 195, 196, 197, 199, 200, 201,
&end
#
# 14 ILE QG2 25 ALA HN 4.50 (# 267:10 Unique 4.05, 5.17 A)
&rst
ixpk= 267, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 211, 212, 213,
&end
#
# 0 AMB 10-2:268 25 ALA HN 4.50 (# 268:10 Single Ambig)
&rst
ixpk= 268, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
igr1= 228, 229, 252, 253, 254,1001,1002,1003,1005,1006,
1007,
&end
#
# 119 GLU HN 118 ASN HN 2.80 (# 269:10 Unique 2.63, 2.70 A)
&rst
ixpk= 269, nxpk= 10, iat=1849,1835, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 117 VAL HN 118 ASN HN 3.50 (# 270:10 Unique 2.57, 2.75 A)
&rst
ixpk= 270, nxpk= 10, iat=1819,1835, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 ASN HD2+ 118 ASN HN 3.50 (# 271:10 Unique 2.40, 3.43 A)
&rst
ixpk= 271, nxpk= 10, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1844,1845,
&end
#
# 118 ASN HA 118 ASN HN 3.50 (# 272:10 Unique 2.77, 2.79 A)
&rst
ixpk= 272, nxpk= 10, iat=1837,1835, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 117 VAL HA 118 ASN HN 5.50 (# 274:10 Unique 3.49, 3.51 A)
&rst
ixpk= 274, nxpk= 10, iat=1821,1835, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 114 GLU HA 118 ASN HN 5.50 (# 275:10 Unique 3.89, 3.97 A)
&rst
ixpk= 275, nxpk= 10, iat=1769,1835, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 118 ASN HB- 118 ASN HN 2.80 (# 276:10 Unique 2.08, 2.78 A)
&rst
ixpk= 276, nxpk= 10, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1839,1840,
&end
#
# 118 ASN HB+ 118 ASN HN 3.50 (# 277:10 Unique 2.08, 2.78 A)
&rst
ixpk= 277, nxpk= 10, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1839,1840,
&end
#
# 117 VAL MGX 118 ASN HN 2.80 (# 278:10 Unique 1.90, 3.84 A)
&rst
ixpk= 278, nxpk= 10, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1825,1826,1827,1829,1830,1831,
&end
#
# 0 AMB 10-2:279 118 ASN HN 5.50 (# 279:10 Single Ambig)
&rst
ixpk= 279, nxpk= 10, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1856,1857,1853,1854,
&end
#
# 59 ILE HN 37 ALA HN 3.50 (# 280:10 Unique 3.17, 3.46 A)
&rst
ixpk= 280, nxpk= 10, iat= 879, 603, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 36 LEU HN 37 ALA HN 5.50 (# 281:10 Unique 4.26, 4.36 A)
&rst
ixpk= 281, nxpk= 10, iat= 584, 603, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 LEU HA 37 ALA HN 2.80 (# 283:10 Unique 2.14, 2.15 A)
&rst
ixpk= 283, nxpk= 10, iat= 586, 603, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 VAL HA 37 ALA HN 4.50 (# 284:10 Unique 2.45, 2.85 A)
&rst
ixpk= 284, nxpk= 10, iat= 900, 603, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 LEU HB+ 37 ALA HN 4.50 (# 285:10 Unique 3.70, 4.23 A)
&rst
ixpk= 285, nxpk= 10, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 588, 589,
&end
#
# 0 AMB 10-2:286 37 ALA HN 3.50 (# 286:10 Single Ambig)
&rst
ixpk= 286, nxpk= 10, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1692,1693,1694,1696,1697,1698, 873, 874, 875,
&end
#
# 0 AMB 10-2:287 37 ALA HN 2.80 (# 287:10 Single Ambig)
&rst
ixpk= 287, nxpk= 10, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 593, 594, 595, 597, 598, 599, 607, 608, 609,
&end
#
# 0 AMB 10-2:288 37 ALA HN 3.50 (# 288:10 Single Ambig)
&rst
ixpk= 288, nxpk= 10, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 588, 589, 904, 905, 906, 908, 909, 910,
&end
#
# 0 AMB 10-2:289 37 ALA HN 3.50 (# 289:10 Single Ambig)
&rst
ixpk= 289, nxpk= 10, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 885, 886, 887,1692,1693,1694,1696,1697,1698,
&end
#
# 36 LEU MDX 37 ALA HN 3.50 (# 290:10 Unique 2.26, 4.38 A)
&rst
ixpk= 290, nxpk= 10, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 593, 594, 595, 597, 598, 599,
&end
#
# 61 LYS HN 37 ALA HN 5.50 (# 291:10 Unique 3.24, 3.52 A)
&rst
ixpk= 291, nxpk= 10, iat= 914, 603, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:292 37 ALA HN 4.50 (# 292:10 Single Ambig)
&rst
ixpk= 292, nxpk= 10, iat= -1, 603, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 883, 924, 925,
&end
#
# 36 LEU HG 37 ALA HN 5.50 (# 293:10 Unique 4.38, 5.16 A)
&rst
ixpk= 293, nxpk= 10, iat= 591, 603, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 59 ILE HN 58 ALA HN 5.50 (# 294:10 Unique 4.34, 4.37 A)
&rst
ixpk= 294, nxpk= 10, iat= 879, 869, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 57 LYS HN 58 ALA HN 5.50 (# 295:10 Unique 4.25, 4.41 A)
&rst
ixpk= 295, nxpk= 10, iat= 847, 869, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 106 TYR HN 58 ALA HN 4.50 (# 296:10 Unique 2.59, 3.59 A)
&rst
ixpk= 296, nxpk= 10, iat=1640, 869, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 103 GLU HA 58 ALA HN 5.50 (# 297:10 Unique 4.81, 4.96 A)
&rst
ixpk= 297, nxpk= 10, iat=1592, 869, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 57 LYS HA 58 ALA HN 2.80 (# 299:10 Unique 2.14, 2.33 A)
&rst
ixpk= 299, nxpk= 10, iat= 849, 869, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:300 58 ALA HN 3.50 (# 300:10 Single Ambig)
&rst
ixpk= 300, nxpk= 10, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1623,1607,
&end
#
# 0 AMB 10-2:301 58 ALA HN 5.50 (# 301:10 Single Ambig)
&rst
ixpk= 301, nxpk= 10, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1594,1595, 631, 632,
&end
#
# 57 LYS HB- 58 ALA HN 3.50 (# 302:10 Unique 2.11, 3.41 A)
&rst
ixpk= 302, nxpk= 10, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 851, 852,
&end
#
# 57 LYS HB+ 58 ALA HN 3.50 (# 303:10 Unique 2.11, 3.41 A)
&rst
ixpk= 303, nxpk= 10, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 851, 852,
&end
#
# 58 ALA MB 58 ALA HN 2.80 (# 304:10 Unique 2.49, 3.32 A)
&rst
ixpk= 304, nxpk= 10, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 873, 874, 875,
&end
#
# 0 AMB 10-2:305 58 ALA HN 4.50 (# 305:10 Single Ambig)
&rst
ixpk= 305, nxpk= 10, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1630,1631,1632,1634,1635,1636,1692,1693,1694,1696,
1697,1698,
&end
#
# 104 VAL MGY 58 ALA HN 3.50 (# 306:10 Unique 1.92, 4.24 A)
&rst
ixpk= 306, nxpk= 10, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1611,1612,1613,1615,1616,1617,
&end
#
# 78 ASN HN 79 LYS HN 4.50 (# 310:10 Unique 4.41, 4.55 A)
&rst
ixpk= 310, nxpk= 10, iat=1190,1204, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:311 79 LYS HN 5.50 (# 311:10 Single Ambig)
&rst
ixpk= 311, nxpk= 10, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 413,1199,1200,
&end
#
# 78 ASN HA 79 LYS HN 2.80 (# 312:10 Unique 2.14, 2.19 A)
&rst
ixpk= 312, nxpk= 10, iat=1192,1204, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 79 LYS HA 79 LYS HN 3.50 (# 313:10 Unique 2.78, 2.87 A)
&rst
ixpk= 313, nxpk= 10, iat=1206,1204, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:314 79 LYS HN 4.50 (# 314:10 Single Ambig)
&rst
ixpk= 314, nxpk= 10, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1194,1195, 190, 191,1893,1894,
&end
#
# 0 AMB 10-2:315 79 LYS HN 2.80 (# 315:10 Single Ambig)
&rst
ixpk= 315, nxpk= 10, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1208,1209,1214,1215,
&end
#
# 79 LYS HB+ 79 LYS HN 2.80 (# 316:10 Unique 2.07, 2.93 A)
&rst
ixpk= 316, nxpk= 10, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1208,1209,
&end
#
# 13 LEU HG 79 LYS HN 3.50 (# 317:10 Unique 2.86, 3.52 A)
&rst
ixpk= 317, nxpk= 10, iat= 193,1204, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 LYS HG- 79 LYS HN 4.50 (# 318:10 Unique 2.19, 3.44 A)
&rst
ixpk= 318, nxpk= 10, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1211,1212,
&end
#
# 91 LYS HA 91 LYS HN 3.50 (# 319:10 Unique 2.74, 2.79 A)
&rst
ixpk= 319, nxpk= 10, iat=1392,1390, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 SER HA 91 LYS HN 4.50 (# 320:10 Unique 3.55, 3.56 A)
&rst
ixpk= 320, nxpk= 10, iat=1381,1390, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 92 ILE HA 91 LYS HN 5.50 (# 321:10 Unique 5.20, 5.35 A)
&rst
ixpk= 321, nxpk= 10, iat=1414,1390, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 94 GLN HG- 91 LYS HN 4.50 (# 322:10 Unique 4.08, 4.94 A)
&rst
ixpk= 322, nxpk= 10, iat= -1,1390, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1457,1458,
&end
#
# 94 GLN HB+ 91 LYS HN 4.50 (# 323:10 Unique 4.64, 5.58 A)
&rst
ixpk= 323, nxpk= 10, iat= -1,1390, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1454,1455,
&end
#
# 91 LYS HG+ 91 LYS HN 2.80 (# 324:10 Unique 2.40, 3.24 A)
&rst
ixpk= 324, nxpk= 10, iat= -1,1390, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1397,1398,
&end
#
# 93 ILE HN 91 LYS HN 5.50 (# 325:10 Unique 4.21, 4.46 A)
&rst
ixpk= 325, nxpk= 10, iat=1431,1390, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 92 ILE HN 91 LYS HN 3.50 (# 326:10 Unique 2.61, 2.78 A)
&rst
ixpk= 326, nxpk= 10, iat=1412,1390, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 SER HB+ 91 LYS HN 3.50 (# 328:10 Unique 2.17, 2.85 A)
&rst
ixpk= 328, nxpk= 10, iat= -1,1390, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1383,1384,
&end
#
# 91 LYS HB+ 91 LYS HN 2.80 (# 329:10 Unique 2.17, 2.90 A)
&rst
ixpk= 329, nxpk= 10, iat= -1,1390, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1394,1395,
&end
#
# 25 ALA HN 24 TRP HN 5.50 (# 331:10 Unique 4.48, 4.55 A)
&rst
ixpk= 331, nxpk= 10, iat= 422, 398, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 TRP HD1 24 TRP HN 3.50 (# 332:10 Unique 3.32, 3.50 A)
&rst
ixpk= 332, nxpk= 10, iat= 406, 398, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 24 TRP HA 24 TRP HN 3.50 (# 333:10 Unique 2.91, 2.92 A)
&rst
ixpk= 333, nxpk= 10, iat= 400, 398, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 23 HIS HA 24 TRP HN 2.80 (# 334:10 Unique 2.14, 2.16 A)
&rst
ixpk= 334, nxpk= 10, iat= 383, 398, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 113 CYS HB- 24 TRP HN 3.50 (# 335:10 Unique 2.16, 2.80 A)
&rst
ixpk= 335, nxpk= 10, iat= -1, 398, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1760,1761,
&end
#
# 23 HIS HB+ 24 TRP HN 4.50 (# 336:10 Unique 3.21, 4.13 A)
&rst
ixpk= 336, nxpk= 10, iat= -1, 398, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 385, 386,
&end
#
# 24 TRP HB+ 24 TRP HN 3.50 (# 337:10 Unique 2.21, 2.88 A)
&rst
ixpk= 337, nxpk= 10, iat= -1, 398, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 402, 403,
&end
#
# 42 VAL HA 42 VAL HN 3.50 (# 339:10 Unique 2.28, 2.89 A)
&rst
ixpk= 339, nxpk= 10, iat= 669, 667, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:340 42 VAL HN 5.50 (# 340:10 Single Ambig)
&rst
ixpk= 340, nxpk= 10, iat= -1, 667, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 659, 660, 659, 660,
&end
#
# 43 ALA HN 42 VAL HN 4.50 (# 341:10 Unique 1.92, 3.65 A)
&rst
ixpk= 341, nxpk= 10, iat= 683, 667, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 GLU HA 42 VAL HN 2.80 (# 343:10 Unique 2.14, 2.29 A)
&rst
ixpk= 343, nxpk= 10, iat= 654, 667, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:344 42 VAL HN 3.50 (# 344:10 Single Ambig)
&rst
ixpk= 344, nxpk= 10, iat= -1, 667, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 656, 657, 671,
&end
#
# 41 GLU HB+ 42 VAL HN 5.50 (# 345:10 Unique 1.97, 3.97 A)
&rst
ixpk= 345, nxpk= 10, iat= -1, 667, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 656, 657,
&end
#
# 42 VAL MGY 42 VAL HN 3.50 (# 346:10 Unique 1.95, 3.51 A)
&rst
ixpk= 346, nxpk= 10, iat= -1, 667, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 673, 674, 675, 677, 678, 679,
&end
#
# 82 ASP HN 81 ASP HN 3.50 (# 347:10 Unique 2.53, 2.61 A)
&rst
ixpk= 347, nxpk= 10, iat=1255,1243, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:349 81 ASP HN 2.80 (# 349:10 Single Ambig)
&rst
ixpk= 349, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1228,1245,
&end
#
# 0 AMB 10-2:351 81 ASP HN 3.50 (# 351:10 Single Ambig)
&rst
ixpk= 351, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1194,1195,1893,1894,
&end
#
# 80 HIS HB+ 81 ASP HN 5.50 (# 352:10 Unique 4.16, 4.37 A)
&rst
ixpk= 352, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1230,1231,
&end
#
# 74 TYR HN 73 LYS HN 5.50 (# 353:10 Unique 2.20, 3.77 A)
&rst
ixpk= 353, nxpk= 10, iat=1122,1100, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 ASP HA 73 LYS HN 3.50 (# 354:10 Unique 2.53, 2.77 A)
&rst
ixpk= 354, nxpk= 10, iat=1090,1100, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 LYS HA 73 LYS HN 3.50 (# 355:10 Unique 2.28, 2.84 A)
&rst
ixpk= 355, nxpk= 10, iat=1102,1100, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 ASP HB- 73 LYS HN 3.50 (# 356:10 Unique 1.92, 2.91 A)
&rst
ixpk= 356, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1092,1093,
&end
#
# 73 LYS HB- 73 LYS HN 3.50 (# 357:10 Unique 2.18, 3.22 A)
&rst
ixpk= 357, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1104,1105,
&end
#
# 0 AMB 10-2:358 73 LYS HN 3.50 (# 358:10 Single Ambig)
&rst
ixpk= 358, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1107,1108,1110,1111,
&end
#
# 73 LYS HG+ 73 LYS HN 4.50 (# 359:10 Unique 2.03, 3.55 A)
&rst
ixpk= 359, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1107,1108,
&end
#
# 24 TRP HD1 114 GLU HN 4.50 (# 360:10 Unique 3.07, 3.47 A)
&rst
ixpk= 360, nxpk= 10, iat= 406,1767, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 113 CYS HN 114 GLU HN 3.50 (# 361:10 Unique 2.92, 3.02 A)
&rst
ixpk= 361, nxpk= 10, iat=1756,1767, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 115 HIS HN 114 GLU HN 3.50 (# 362:10 Unique 2.62, 2.73 A)
&rst
ixpk= 362, nxpk= 10, iat=1782,1767, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 113 CYS HA 114 GLU HN 4.50 (# 363:10 Unique 3.56, 3.57 A)
&rst
ixpk= 363, nxpk= 10, iat=1758,1767, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 113 CYS HB- 114 GLU HN 3.50 (# 364:10 Unique 2.11, 2.83 A)
&rst
ixpk= 364, nxpk= 10, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1760,1761,
&end
#
# 0 AMB 10-2:365 114 GLU HN 3.50 (# 365:10 Single Ambig)
&rst
ixpk= 365, nxpk= 10, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1760,1761, 402, 403,
&end
#
# 114 GLU HA 114 GLU HN 3.50 (# 366:10 Unique 2.76, 2.78 A)
&rst
ixpk= 366, nxpk= 10, iat=1769,1767, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 114 GLU HB- 114 GLU HN 2.80 (# 367:10 Unique 2.14, 2.56 A)
&rst
ixpk= 367, nxpk= 10, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1771,1772,
&end
#
# 114 GLU HB+ 114 GLU HN 2.80 (# 368:10 Unique 2.14, 2.56 A)
&rst
ixpk= 368, nxpk= 10, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1771,1772,
&end
#
# 114 GLU HG- 114 GLU HN 5.50 (# 369:10 Unique 2.91, 4.29 A)
&rst
ixpk= 369, nxpk= 10, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1774,1775,
&end
#
# 4 PRO HD- 5 ILE HN 5.50 (# 371:10 Unique 2.84, 3.69 A)
&rst
ixpk= 371, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 56, 57,
&end
#
# 4 PRO HB+ 5 ILE HN 4.50 (# 372:10 Unique 1.88, 3.40 A)
&rst
ixpk= 372, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 62, 63,
&end
#
# 4 PRO HG- 5 ILE HN 5.50 (# 373:10 Unique 1.79, 3.20 A)
&rst
ixpk= 373, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 59, 60,
&end
#
# 4 PRO HB- 5 ILE HN 3.50 (# 374:10 Unique 1.88, 3.40 A)
&rst
ixpk= 374, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 62, 63,
&end
#
# 5 ILE HG1- 5 ILE HN 3.50 (# 375:10 Unique 2.29, 3.13 A)
&rst
ixpk= 375, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 79, 80,
&end
#
# 5 ILE HG1+ 5 ILE HN 3.50 (# 376:10 Unique 2.29, 3.13 A)
&rst
ixpk= 376, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 79, 80,
&end
#
# 5 ILE QG2 5 ILE HN 4.50 (# 377:10 Unique 2.55, 4.18 A)
&rst
ixpk= 377, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 75, 76, 77,
&end
#
# 5 ILE QD1 5 ILE HN 5.50 (# 378:10 Unique 2.03, 4.75 A)
&rst
ixpk= 378, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 82, 83, 84,
&end
#
# 8 PRO HA 9 LYS HN 2.80 (# 379:10 Unique 2.15, 2.27 A)
&rst
ixpk= 379, nxpk= 10, iat= 127, 131, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 12 ASP HB- 9 LYS HN 4.50 (# 381:10 Unique 2.89, 4.02 A)
&rst
ixpk= 381, nxpk= 10, iat= -1, 131, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 178, 179,
&end
#
# 12 ASP HB+ 9 LYS HN 5.50 (# 382:10 Unique 2.89, 4.02 A)
&rst
ixpk= 382, nxpk= 10, iat= -1, 131, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 178, 179,
&end
#
# 9 LYS HB+ 9 LYS HN 3.50 (# 384:10 Unique 2.12, 2.94 A)
&rst
ixpk= 384, nxpk= 10, iat= -1, 131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 135, 136,
&end
#
# 9 LYS HG+ 9 LYS HN 3.50 (# 385:10 Unique 2.26, 3.73 A)
&rst
ixpk= 385, nxpk= 10, iat= -1, 131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 138, 139,
&end
#
# 8 PRO HG+ 9 LYS HN 5.50 (# 386:10 Unique 3.89, 5.03 A)
&rst
ixpk= 386, nxpk= 10, iat= -1, 131, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 121, 122,
&end
#
# 76 VAL MGX 9 LYS HN 5.50 (# 387:10 Unique 2.84, 4.82 A)
&rst
ixpk= 387, nxpk= 10, iat= -1, 131, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 8 PRO HB- 9 LYS HN 3.50 (# 388:10 Unique 2.01, 3.37 A)
&rst
ixpk= 388, nxpk= 10, iat= -1, 131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 124, 125,
&end
#
# 11 GLY HN 12 ASP HN 2.80 (# 390:10 Unique 2.03, 2.56 A)
&rst
ixpk= 390, nxpk= 10, iat= 167, 174, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 13 LEU HN 12 ASP HN 5.50 (# 391:10 Unique 4.34, 4.46 A)
&rst
ixpk= 391, nxpk= 10, iat= 186, 174, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 LYS HN 12 ASP HN 5.50 (# 392:10 Unique 4.74, 5.48 A)
&rst
ixpk= 392, nxpk= 10, iat= 131, 174, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 TYR HD 12 ASP HN 3.50 (# 393:10 Unique 3.77, 4.75 A)
&rst
ixpk= 393, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 459, 468,
&end
#
# 12 ASP HA 12 ASP HN 3.50 (# 394:10 Unique 2.92, 2.94 A)
&rst
ixpk= 394, nxpk= 10, iat= 176, 174, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:395 12 ASP HN 5.50 (# 395:10 Single Ambig)
&rst
ixpk= 395, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 474, 453,
&end
#
# 11 GLY HA- 12 ASP HN 3.50 (# 396:10 Unique 2.86, 3.22 A)
&rst
ixpk= 396, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 169, 170,
&end
#
# 10 PRO HA 12 ASP HN 3.50 (# 397:10 Unique 3.23, 3.55 A)
&rst
ixpk= 397, nxpk= 10, iat= 163, 174, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 TYR HB+ 12 ASP HN 3.50 (# 398:10 Unique 2.03, 3.02 A)
&rst
ixpk= 398, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 455, 456,
&end
#
# 12 ASP HB- 12 ASP HN 2.80 (# 399:10 Unique 2.33, 3.10 A)
&rst
ixpk= 399, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 178, 179,
&end
#
# 27 TYR HB- 12 ASP HN 4.50 (# 400:10 Unique 2.03, 3.02 A)
&rst
ixpk= 400, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 455, 456,
&end
#
# 12 ASP HB+ 12 ASP HN 3.50 (# 401:10 Unique 2.33, 3.10 A)
&rst
ixpk= 401, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 178, 179,
&end
#
# 9 LYS HB+ 12 ASP HN 5.50 (# 403:10 Unique 4.70, 5.49 A)
&rst
ixpk= 403, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 135, 136,
&end
#
# 0 AMB 10-2:404 12 ASP HN 4.50 (# 404:10 Single Ambig)
&rst
ixpk= 404, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1166,1167,1168,1170,1171,1172,1425,1426,1427,
&end
#
# 0 AMB 10-2:405 12 ASP HN 5.50 (# 405:10 Single Ambig)
&rst
ixpk= 405, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1444,1445,1446, 195, 196, 197, 199, 200, 201,
&end
#
# 0 AMB 10-2:406 12 ASP HN 4.50 (# 406:10 Single Ambig)
&rst
ixpk= 406, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 442, 443,1418,1419,1420, 445, 446, 447,
&end
#
# 0 AMB 10-2:407 12 ASP HN 5.50 (# 407:10 Single Ambig)
&rst
ixpk= 407, nxpk= 10, iat= -1, 174, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 218, 219, 220, 478, 479, 480, 482, 483, 484,
&end
#
# 69 ALA HN 68 VAL HN 3.50 (# 408:10 Unique 2.43, 2.73 A)
&rst
ixpk= 408, nxpk= 10, iat=1060,1044, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:409 68 VAL HN 5.50 (# 409:10 Single Ambig)
&rst
ixpk= 409, nxpk= 10, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1070,1019,1028,
&end
#
# 65 LEU HA 68 VAL HN 3.50 (# 410:10 Unique 2.95, 3.06 A)
&rst
ixpk= 410, nxpk= 10, iat= 994,1044, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 VAL HA 68 VAL HN 3.50 (# 411:10 Unique 2.79, 2.84 A)
&rst
ixpk= 411, nxpk= 10, iat=1046,1044, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:412 68 VAL HN 5.50 (# 412:10 Single Ambig)
&rst
ixpk= 412, nxpk= 10, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 977, 978, 996, 997,
&end
#
# 63 GLU HB+ 68 VAL HN 5.50 (# 413:10 Unique 3.96, 4.66 A)
&rst
ixpk= 413, nxpk= 10, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 962, 963,
&end
#
# 68 VAL HB 68 VAL HN 2.80 (# 414:10 Unique 2.47, 2.56 A)
&rst
ixpk= 414, nxpk= 10, iat=1048,1044, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 68 VAL HN 69 ALA HN 3.50 (# 421:10 Unique 2.43, 2.73 A)
&rst
ixpk= 421, nxpk= 10, iat=1044,1060, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 GLY HN 69 ALA HN 3.50 (# 422:10 Unique 2.27, 2.95 A)
&rst
ixpk= 422, nxpk= 10, iat=1070,1060, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 69 ALA HA 69 ALA HN 3.50 (# 423:10 Unique 2.73, 2.78 A)
&rst
ixpk= 423, nxpk= 10, iat=1062,1060, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:424 0 AMB 10-1:424 4.50 (# 424:10 Double Ambig)
&rst
ixpk= 424, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1046,1803,1804,
igr2=1060,1756,
&end
#
# 68 VAL HB 69 ALA HN 3.50 (# 425:10 Unique 2.01, 2.32 A)
&rst
ixpk= 425, nxpk= 10, iat=1048,1060, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 69 ALA MB 69 ALA HN 2.80 (# 426:10 Unique 2.08, 2.90 A)
&rst
ixpk= 426, nxpk= 10, iat= -1,1060, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1064,1065,1066,
&end
#
# 0 AMB 10-2:427 69 ALA HN 3.50 (# 427:10 Single Ambig)
&rst
ixpk= 427, nxpk= 10, iat= -1,1060, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
1055,1056,
&end
#
# 65 LEU MDX 69 ALA HN 4.50 (# 428:10 Unique 2.04, 4.75 A)
&rst
ixpk= 428, nxpk= 10, iat= -1,1060, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1001,1002,1003,1005,1006,1007,
&end
#
# 67 ASP HN 68 VAL HN 2.80 (# 429:10 Unique 2.14, 2.25 A)
&rst
ixpk= 429, nxpk= 10, iat=1032,1044, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 ASP HA 68 VAL HN 4.50 (# 430:10 Unique 3.44, 3.49 A)
&rst
ixpk= 430, nxpk= 10, iat=1034,1044, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:431 68 VAL HN 2.80 (# 431:10 Single Ambig)
&rst
ixpk= 431, nxpk= 10, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1036,1037,1036,1037,
&end
#
# 69 ALA MB 68 VAL HN 4.50 (# 432:10 Unique 4.40, 5.39 A)
&rst
ixpk= 432, nxpk= 10, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1064,1065,1066,
&end
#
# 0 AMB 10-2:433 68 VAL HN 2.80 (# 433:10 Single Ambig)
&rst
ixpk= 433, nxpk= 10, iat= -1,1044, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
1055,1056,
&end
#
# 93 ILE HN 92 ILE HN 3.50 (# 435:10 Unique 2.73, 2.90 A)
&rst
ixpk= 435, nxpk= 10, iat=1431,1412, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 LYS HN 92 ILE HN 2.80 (# 436:10 Unique 2.61, 2.78 A)
&rst
ixpk= 436, nxpk= 10, iat=1390,1412, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 91 LYS HA 92 ILE HN 4.50 (# 437:10 Unique 3.49, 3.55 A)
&rst
ixpk= 437, nxpk= 10, iat=1392,1412, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:438 92 ILE HN 3.50 (# 438:10 Single Ambig)
&rst
ixpk= 438, nxpk= 10, iat= -1,1412, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1370,1383,1384,1885,
&end
#
# 92 ILE HA 92 ILE HN 3.50 (# 439:10 Unique 2.73, 2.77 A)
&rst
ixpk= 439, nxpk= 10, iat=1414,1412, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 91 LYS HB+ 92 ILE HN 3.50 (# 440:10 Unique 2.41, 2.95 A)
&rst
ixpk= 440, nxpk= 10, iat= -1,1412, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1394,1395,
&end
#
# 92 ILE HB 92 ILE HN 2.80 (# 441:10 Unique 2.33, 2.50 A)
&rst
ixpk= 441, nxpk= 10, iat=1416,1412, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 92 ILE HG1+ 92 ILE HN 2.80 (# 442:10 Unique 1.88, 3.03 A)
&rst
ixpk= 442, nxpk= 10, iat= -1,1412, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1422,1423,
&end
#
# 92 ILE HG1- 92 ILE HN 3.50 (# 443:10 Unique 1.88, 3.03 A)
&rst
ixpk= 443, nxpk= 10, iat= -1,1412, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1422,1423,
&end
#
# 92 ILE QD1 92 ILE HN 3.50 (# 444:10 Unique 2.17, 3.83 A)
&rst
ixpk= 444, nxpk= 10, iat= -1,1412, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1425,1426,1427,
&end
#
# 0 AMB 10-2:445 92 ILE HN 3.50 (# 445:10 Single Ambig)
&rst
ixpk= 445, nxpk= 10, iat= -1,1412, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1344,1345,1346,1348,1349,1350,1418,1419,1420,
&end
#
# 78 ASN HD2- 13 LEU HN 3.50 (# 446:10 Unique 1.90, 3.01 A)
&rst
ixpk= 446, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1199,1200,
&end
#
# 12 ASP HA 13 LEU HN 2.80 (# 447:10 Unique 2.15, 2.27 A)
&rst
ixpk= 447, nxpk= 10, iat= 176, 186, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 13 LEU HB+ 13 LEU HN 2.80 (# 448:10 Unique 2.13, 2.92 A)
&rst
ixpk= 448, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 190, 191,
&end
#
# 13 LEU HB- 13 LEU HN 3.50 (# 449:10 Unique 2.13, 2.92 A)
&rst
ixpk= 449, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 190, 191,
&end
#
# 13 LEU HG 13 LEU HN 3.50 (# 450:10 Unique 2.46, 3.27 A)
&rst
ixpk= 450, nxpk= 10, iat= 193, 186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 76 VAL MGY 13 LEU HN 3.50 (# 451:10 Unique 2.85, 5.70 A)
&rst
ixpk= 451, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 13 LEU MDY 13 LEU HN 3.50 (# 452:10 Unique 1.93, 4.31 A)
&rst
ixpk= 452, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 195, 196, 197, 199, 200, 201,
&end
#
# 0 AMB 10-2:453 113 CYS HN 2.80 (# 453:10 Single Ambig)
&rst
ixpk= 453, nxpk= 10, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1742,1767,
&end
#
# 109 THR HN 113 CYS HN 5.50 (# 454:10 Unique 2.55, 3.89 A)
&rst
ixpk= 454, nxpk= 10, iat=1702,1756, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 112 ASN HA 113 CYS HN 5.50 (# 456:10 Unique 3.52, 3.56 A)
&rst
ixpk= 456, nxpk= 10, iat=1744,1756, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 113 CYS HA 113 CYS HN 3.50 (# 457:10 Unique 2.73, 2.75 A)
&rst
ixpk= 457, nxpk= 10, iat=1758,1756, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 113 CYS HB- 113 CYS HN 2.80 (# 458:10 Unique 2.22, 3.05 A)
&rst
ixpk= 458, nxpk= 10, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1760,1761,
&end
#
# 113 CYS HB+ 113 CYS HN 3.50 (# 459:10 Unique 2.22, 3.05 A)
&rst
ixpk= 459, nxpk= 10, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1760,1761,
&end
#
# 112 ASN HB- 113 CYS HN 4.50 (# 460:10 Unique 2.19, 2.83 A)
&rst
ixpk= 460, nxpk= 10, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1746,1747,
&end
#
# 112 ASN HB+ 113 CYS HN 3.50 (# 461:10 Unique 2.19, 2.83 A)
&rst
ixpk= 461, nxpk= 10, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1746,1747,
&end
#
# 0 AMB 10-2:462 0 AMB 10-1:462 5.50 (# 462:10 Double Ambig)
&rst
ixpk= 462, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 996, 997,1687,1688,1771,1772,
igr2=1060,1756,
&end
#
# 0 AMB 10-2:463 0 AMB 10-1:463 5.50 (# 463:10 Double Ambig)
&rst
ixpk= 463, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 249, 250,1687,1688,1771,1772,
igr2=1060,1756,
&end
#
# 36 LEU HG 113 CYS HN 5.50 (# 464:10 Unique 3.94, 4.64 A)
&rst
ixpk= 464, nxpk= 10, iat= 591,1756, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 55 THR HN 54 LEU HN 4.50 (# 465:10 Unique 1.90, 3.38 A)
&rst
ixpk= 465, nxpk= 10, iat= 821, 802, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 115 HIS HA 119 GLU HN 5.50 (# 467:10 Unique 4.28, 4.69 A)
&rst
ixpk= 467, nxpk= 10, iat=1784,1849, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 118 ASN HN 119 GLU HN 2.80 (# 468:10 Unique 2.63, 2.70 A)
&rst
ixpk= 468, nxpk= 10, iat=1835,1849, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 120 LEU HN 119 GLU HN 3.50 (# 469:10 Unique 2.51, 2.59 A)
&rst
ixpk= 469, nxpk= 10, iat=1864,1849, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 ASN HA 119 GLU HN 3.50 (# 470:10 Unique 3.49, 3.51 A)
&rst
ixpk= 470, nxpk= 10, iat=1837,1849, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 52 SER HB+ 54 LEU HN 4.50 (# 471:10 Unique 3.32, 4.82 A)
&rst
ixpk= 471, nxpk= 10, iat= -1, 802, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 785, 786,
&end
#
# 0 AMB 10-2:472 0 AMB 10-1:472 5.50 (# 472:10 Double Ambig)
&rst
ixpk= 472, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 785, 786,1821,
igr2= 802,1849,
&end
#
# 119 GLU HA 119 GLU HN 3.50 (# 473:10 Unique 2.79, 2.82 A)
&rst
ixpk= 473, nxpk= 10, iat=1851,1849, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 ASN HB- 119 GLU HN 3.50 (# 474:10 Unique 2.73, 3.17 A)
&rst
ixpk= 474, nxpk= 10, iat= -1,1849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1839,1840,
&end
#
# 118 ASN HB+ 119 GLU HN 3.50 (# 475:10 Unique 2.73, 3.17 A)
&rst
ixpk= 475, nxpk= 10, iat= -1,1849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1839,1840,
&end
#
# 119 GLU HG+ 119 GLU HN 3.50 (# 476:10 Unique 1.97, 2.92 A)
&rst
ixpk= 476, nxpk= 10, iat= -1,1849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1856,1857,
&end
#
# 0 AMB 10-2:477 119 GLU HN 2.80 (# 477:10 Single Ambig)
&rst
ixpk= 477, nxpk= 10, iat= -1,1849, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1856,1857,1853,1854,
&end
#
# 0 AMB 10-2:478 119 GLU HN 4.50 (# 478:10 Single Ambig)
&rst
ixpk= 478, nxpk= 10, iat= -1,1849, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1871,1825,1826,1827,1829,1830,1831,
&end
#
# 125 ALA MB 119 GLU HN 5.50 (# 479:10 Unique 2.89, 4.59 A)
&rst
ixpk= 479, nxpk= 10, iat= -1,1849, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1955,1956,1957,
&end
#
# 33 VAL HN 32 TYR HN 5.50 (# 480:10 Unique 4.08, 4.49 A)
&rst
ixpk= 480, nxpk= 10, iat= 535, 514, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 GLY HN 32 TYR HN 2.80 (# 481:10 Unique 1.86, 2.44 A)
&rst
ixpk= 481, nxpk= 10, iat= 507, 514, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 32 TYR HD 32 TYR HN 2.80 (# 482:10 Unique 3.32, 3.66 A)
&rst
ixpk= 482, nxpk= 10, iat= -1, 514, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 522, 531,
&end
#
# 33 VAL HA 32 TYR HN 5.50 (# 484:10 Unique 4.92, 5.57 A)
&rst
ixpk= 484, nxpk= 10, iat= 537, 514, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 TYR HA 32 TYR HN 3.50 (# 485:10 Unique 2.68, 2.74 A)
&rst
ixpk= 485, nxpk= 10, iat= 516, 514, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 GLY HA- 32 TYR HN 3.50 (# 486:10 Unique 2.59, 3.19 A)
&rst
ixpk= 486, nxpk= 10, iat= -1, 514, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 509, 510,
&end
#
# 64 LEU HA 32 TYR HN 5.50 (# 487:10 Unique 3.38, 4.00 A)
&rst
ixpk= 487, nxpk= 10, iat= 975, 514, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 GLY HA+ 32 TYR HN 4.50 (# 488:10 Unique 2.59, 3.19 A)
&rst
ixpk= 488, nxpk= 10, iat= -1, 514, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 509, 510,
&end
#
# 32 TYR HB- 32 TYR HN 2.80 (# 489:10 Unique 2.31, 3.05 A)
&rst
ixpk= 489, nxpk= 10, iat= -1, 514, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 518, 519,
&end
#
# 32 TYR HB+ 32 TYR HN 3.50 (# 490:10 Unique 2.31, 3.05 A)
&rst
ixpk= 490, nxpk= 10, iat= -1, 514, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 518, 519,
&end
#
# 28 VAL MGY 32 TYR HN 4.50 (# 491:10 Unique 3.23, 5.35 A)
&rst
ixpk= 491, nxpk= 10, iat= -1, 514, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 478, 479, 480, 482, 483, 484,
&end
#
# 64 LEU MDX 32 TYR HN 5.50 (# 492:10 Unique 2.51, 5.71 A)
&rst
ixpk= 492, nxpk= 10, iat= -1, 514, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 982, 983, 984, 986, 987, 988,
&end
#
# 26 ILE HN 34 VAL HN 3.50 (# 493:10 Unique 2.74, 2.93 A)
&rst
ixpk= 493, nxpk= 10, iat= 432, 551, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 VAL HA 34 VAL HN 3.50 (# 494:10 Unique 2.92, 2.93 A)
&rst
ixpk= 494, nxpk= 10, iat= 553, 551, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 VAL HA 34 VAL HN 2.80 (# 495:10 Unique 2.19, 2.24 A)
&rst
ixpk= 495, nxpk= 10, iat= 537, 551, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 27 TYR HA 34 VAL HN 4.50 (# 496:10 Unique 3.77, 4.14 A)
&rst
ixpk= 496, nxpk= 10, iat= 453, 551, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 VAL HB 34 VAL HN 3.50 (# 497:10 Unique 2.46, 2.88 A)
&rst
ixpk= 497, nxpk= 10, iat= 539, 551, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 VAL HB 34 VAL HN 3.50 (# 498:10 Unique 2.77, 2.87 A)
&rst
ixpk= 498, nxpk= 10, iat= 555, 551, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:499 34 VAL HN 5.50 (# 499:10 Single Ambig)
&rst
ixpk= 499, nxpk= 10, iat= -1, 551, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 436, 215, 216,
&end
#
# 0 AMB 10-2:500 34 VAL HN 5.50 (# 500:10 Single Ambig)
&rst
ixpk= 500, nxpk= 10, iat= -1, 551, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1495,1496,1497,1825,1826,1827,1829,1830,1831,
&end
#
# 0 AMB 10-2:501 34 VAL HN 4.50 (# 501:10 Single Ambig)
&rst
ixpk= 501, nxpk= 10, iat= -1, 551, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
igr1= 426, 427, 428,1825,1826,1827,1829,1830,1831, 215,
216,
&end
#
# 34 VAL MGY 34 VAL HN 2.80 (# 502:10 Unique 1.99, 3.78 A)
&rst
ixpk= 502, nxpk= 10, iat= -1, 551, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 557, 558, 559, 561, 562, 563,
&end
#
# 28 VAL MGY 34 VAL HN 3.50 (# 503:10 Unique 2.84, 4.75 A)
&rst
ixpk= 503, nxpk= 10, iat= -1, 551, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 478, 479, 480, 482, 483, 484,
&end
#
# 33 VAL MGY 34 VAL HN 3.50 (# 504:10 Unique 2.94, 4.67 A)
&rst
ixpk= 504, nxpk= 10, iat= -1, 551, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 541, 542, 543, 545, 546, 547,
&end
#
# 84 TYR HB+ 83 LYS HN 5.50 (# 505:10 Unique 3.92, 5.32 A)
&rst
ixpk= 505, nxpk= 10, iat= -1,1267, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1293,1294,
&end
#
# 82 ASP HN 83 LYS HN 2.80 (# 506:10 Unique 1.89, 2.03 A)
&rst
ixpk= 506, nxpk= 10, iat=1255,1267, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 84 TYR HN 83 LYS HN 2.80 (# 507:10 Unique 1.85, 2.11 A)
&rst
ixpk= 507, nxpk= 10, iat=1289,1267, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 80 HIS HA 83 LYS HN 3.50 (# 508:10 Unique 3.51, 3.60 A)
&rst
ixpk= 508, nxpk= 10, iat=1228,1267, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 TYR HA 83 LYS HN 5.50 (# 509:10 Unique 4.62, 4.82 A)
&rst
ixpk= 509, nxpk= 10, iat=1291,1267, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 LYS HA 83 LYS HN 3.50 (# 510:10 Unique 2.88, 2.92 A)
&rst
ixpk= 510, nxpk= 10, iat=1269,1267, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:511 83 LYS HN 5.50 (# 511:10 Single Ambig)
&rst
ixpk= 511, nxpk= 10, iat= -1,1267, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1230,1231,1293,1294,
&end
#
# 82 ASP HB+ 83 LYS HN 3.50 (# 512:10 Unique 2.83, 3.40 A)
&rst
ixpk= 512, nxpk= 10, iat= -1,1267, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1259,1260,
&end
#
# 83 LYS HB+ 83 LYS HN 2.80 (# 513:10 Unique 2.38, 3.22 A)
&rst
ixpk= 513, nxpk= 10, iat= -1,1267, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1271,1272,
&end
#
# 83 LYS HG- 83 LYS HN 3.50 (# 514:10 Unique 1.88, 2.85 A)
&rst
ixpk= 514, nxpk= 10, iat= -1,1267, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1274,1275,
&end
#
# 101 GLY HN 102 GLN HN 3.50 (# 515:10 Unique 2.25, 2.42 A)
&rst
ixpk= 515, nxpk= 10, iat=1566,1573, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 GLY HA+ 102 GLN HN 3.50 (# 516:10 Unique 2.91, 3.27 A)
&rst
ixpk= 516, nxpk= 10, iat= -1,1573, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1568,1569,
&end
#
# 102 GLN HA 102 GLN HN 3.50 (# 517:10 Unique 2.90, 2.93 A)
&rst
ixpk= 517, nxpk= 10, iat=1575,1573, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 GLY HA- 102 GLN HN 3.50 (# 518:10 Unique 2.91, 3.27 A)
&rst
ixpk= 518, nxpk= 10, iat= -1,1573, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1568,1569,
&end
#
# 100 VAL HA 102 GLN HN 3.50 (# 519:10 Unique 3.09, 3.25 A)
&rst
ixpk= 519, nxpk= 10, iat=1552,1573, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:520 102 GLN HN 2.80 (# 520:10 Single Ambig)
&rst
ixpk= 520, nxpk= 10, iat= -1,1573, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1580,1581, 902,
&end
#
# 102 GLN HB+ 102 GLN HN 2.80 (# 521:10 Unique 2.25, 3.13 A)
&rst
ixpk= 521, nxpk= 10, iat= -1,1573, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1577,1578,
&end
#
# 0 AMB 10-2:522 102 GLN HN 4.50 (# 522:10 Single Ambig)
&rst
ixpk= 522, nxpk= 10, iat= -1,1573, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1556,1557,1558,1560,1561,1562, 889, 890,
&end
#
# 60 VAL MGX 102 GLN HN 4.50 (# 523:10 Unique 3.23, 4.79 A)
&rst
ixpk= 523, nxpk= 10, iat= -1,1573, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 904, 905, 906, 908, 909, 910,
&end
#
# 0 AMB 10-2:524 102 GLN HN 3.50 (# 524:10 Single Ambig)
&rst
ixpk= 524, nxpk= 10, iat= -1,1573, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 904, 905, 906, 908, 909, 910, 885, 886, 887,
&end
#
# 103 GLU HA 103 GLU HN 3.50 (# 525:10 Unique 2.94, 2.94 A)
&rst
ixpk= 525, nxpk= 10, iat=1592,1590, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:526 103 GLU HN 5.50 (# 526:10 Single Ambig)
&rst
ixpk= 526, nxpk= 10, iat= -1,1590, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1607,1568,1569,
&end
#
# 102 GLN HA 103 GLU HN 2.80 (# 527:10 Unique 2.38, 2.46 A)
&rst
ixpk= 527, nxpk= 10, iat=1575,1590, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 103 GLU HG- 103 GLU HN 3.50 (# 528:10 Unique 2.70, 3.55 A)
&rst
ixpk= 528, nxpk= 10, iat= -1,1590, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1597,1598,
&end
#
# 102 GLN HB+ 103 GLU HN 2.80 (# 529:10 Unique 2.14, 3.06 A)
&rst
ixpk= 529, nxpk= 10, iat= -1,1590, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1577,1578,
&end
#
# 103 GLU HB+ 103 GLU HN 2.80 (# 530:10 Unique 2.68, 3.30 A)
&rst
ixpk= 530, nxpk= 10, iat= -1,1590, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1594,1595,
&end
#
# 0 AMB 10-2:531 103 GLU HN 4.50 (# 531:10 Single Ambig)
&rst
ixpk= 531, nxpk= 10, iat= -1,1590, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 885, 886, 887, 904, 905, 906, 908, 909, 910,
&end
#
# 98 GLU HN 96 ALA HN 5.50 (# 532:10 Unique 3.73, 3.79 A)
&rst
ixpk= 532, nxpk= 10, iat=1516,1491, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 ARG HN 96 ALA HN 3.50 (# 533:10 Unique 2.39, 2.67 A)
&rst
ixpk= 533, nxpk= 10, iat=1467,1491, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:534 96 ALA HN 5.50 (# 534:10 Single Ambig)
&rst
ixpk= 534, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1450,1462,1463,
&end
#
# 0 AMB 10-2:535 96 ALA HN 3.50 (# 535:10 Single Ambig)
&rst
ixpk= 535, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1469,1452,
&end
#
# 96 ALA HA 96 ALA HN 3.50 (# 536:10 Unique 2.75, 2.77 A)
&rst
ixpk= 536, nxpk= 10, iat=1493,1491, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ILE HA 96 ALA HN 4.50 (# 537:10 Unique 3.17, 3.50 A)
&rst
ixpk= 537, nxpk= 10, iat=1433,1491, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 97 GLU HG+ 96 ALA HN 4.50 (# 538:10 Unique 4.26, 5.06 A)
&rst
ixpk= 538, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1508,1509,
&end
#
# 95 ARG HB+ 96 ALA HN 2.80 (# 540:10 Unique 2.43, 3.05 A)
&rst
ixpk= 540, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1471,1472,
&end
#
# 0 AMB 10-2:541 96 ALA HN 5.50 (# 541:10 Single Ambig)
&rst
ixpk= 541, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1535,1536, 555,
&end
#
# 96 ALA MB 96 ALA HN 2.80 (# 542:10 Unique 2.06, 2.87 A)
&rst
ixpk= 542, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1495,1496,1497,
&end
#
# 0 AMB 10-2:543 96 ALA HN 3.50 (# 543:10 Single Ambig)
&rst
ixpk= 543, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1868,1869,1540,1541,1542,1544,1545,1546,
&end
#
# 0 AMB 10-2:544 96 ALA HN 4.50 (# 544:10 Single Ambig)
&rst
ixpk= 544, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 478, 479, 480, 482, 483, 484,1444,1445,1446,
&end
#
# 120 LEU MDX 96 ALA HN 3.50 (# 545:10 Unique 3.32, 5.05 A)
&rst
ixpk= 545, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 120 LEU MDY 96 ALA HN 5.50 (# 546:10 Unique 3.32, 5.05 A)
&rst
ixpk= 546, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 83 LYS HN 84 TYR HN 2.80 (# 547:10 Unique 1.85, 2.11 A)
&rst
ixpk= 547, nxpk= 10, iat=1267,1289, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 84 TYR HD 84 TYR HN 3.50 (# 548:10 Unique 1.87, 3.88 A)
&rst
ixpk= 548, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1297,1306,
&end
#
# 84 TYR HA 84 TYR HN 3.50 (# 549:10 Unique 2.81, 2.90 A)
&rst
ixpk= 549, nxpk= 10, iat=1291,1289, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 LYS HA 84 TYR HN 3.50 (# 550:10 Unique 3.38, 3.46 A)
&rst
ixpk= 550, nxpk= 10, iat=1269,1289, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:551 84 TYR HN 3.50 (# 551:10 Single Ambig)
&rst
ixpk= 551, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1293,1294,1230,1231,
&end
#
# 84 TYR HB+ 84 TYR HN 3.50 (# 552:10 Unique 2.33, 3.44 A)
&rst
ixpk= 552, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1293,1294,
&end
#
# 0 AMB 10-2:553 84 TYR HN 3.50 (# 553:10 Single Ambig)
&rst
ixpk= 553, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1310,1255,
&end
#
# 81 ASP HA 84 TYR HN 3.50 (# 556:10 Unique 3.55, 3.66 A)
&rst
ixpk= 556, nxpk= 10, iat=1245,1289, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 80 HIS HB+ 84 TYR HN 5.50 (# 557:10 Unique 2.69, 4.12 A)
&rst
ixpk= 557, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1230,1231,
&end
#
# 83 LYS HB+ 84 TYR HN 3.50 (# 558:10 Unique 2.88, 3.80 A)
&rst
ixpk= 558, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1271,1272,
&end
#
# 83 LYS HG- 84 TYR HN 5.50 (# 559:10 Unique 2.11, 3.56 A)
&rst
ixpk= 559, nxpk= 10, iat= -1,1289, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1274,1275,
&end
#
# 111 GLU HN 112 ASN HN 3.50 (# 561:10 Unique 2.23, 2.40 A)
&rst
ixpk= 561, nxpk= 10, iat=1727,1742, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 113 CYS HN 112 ASN HN 3.50 (# 562:10 Unique 2.25, 2.76 A)
&rst
ixpk= 562, nxpk= 10, iat=1756,1742, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 112 ASN HD2+ 112 ASN HN 5.50 (# 563:10 Unique 3.48, 4.37 A)
&rst
ixpk= 563, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1751,1752,
&end
#
# 109 THR HN 112 ASN HN 3.50 (# 564:10 Unique 3.44, 3.54 A)
&rst
ixpk= 564, nxpk= 10, iat=1702,1742, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 112 ASN HD2- 112 ASN HN 5.50 (# 565:10 Unique 3.48, 4.37 A)
&rst
ixpk= 565, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1751,1752,
&end
#
# 109 THR HB 112 ASN HN 3.50 (# 567:10 Unique 2.30, 3.10 A)
&rst
ixpk= 567, nxpk= 10, iat=1706,1742, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 112 ASN HA 112 ASN HN 3.50 (# 568:10 Unique 2.76, 2.82 A)
&rst
ixpk= 568, nxpk= 10, iat=1744,1742, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 GLU HA 112 ASN HN 4.50 (# 569:10 Unique 3.37, 3.48 A)
&rst
ixpk= 569, nxpk= 10, iat=1729,1742, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 112 ASN HB- 112 ASN HN 2.80 (# 570:10 Unique 2.07, 2.87 A)
&rst
ixpk= 570, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1746,1747,
&end
#
# 112 ASN HB+ 112 ASN HN 3.50 (# 571:10 Unique 2.07, 2.87 A)
&rst
ixpk= 571, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1746,1747,
&end
#
# 0 AMB 10-2:572 112 ASN HN 5.50 (# 572:10 Single Ambig)
&rst
ixpk= 572, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1734,1735,1734,1735,
&end
#
# 111 GLU HB- 112 ASN HN 3.50 (# 573:10 Unique 2.69, 3.34 A)
&rst
ixpk= 573, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1731,1732,
&end
#
# 111 GLU HB+ 112 ASN HN 3.50 (# 574:10 Unique 2.69, 3.34 A)
&rst
ixpk= 574, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1731,1732,
&end
#
# 109 THR MG2 112 ASN HN 5.50 (# 575:10 Unique 4.25, 5.03 A)
&rst
ixpk= 575, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1708,1709,1710,
&end
#
# 34 VAL HN 26 ILE HN 3.50 (# 576:10 Unique 2.74, 2.93 A)
&rst
ixpk= 576, nxpk= 10, iat= 551, 432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 26 ILE HA 26 ILE HN 3.50 (# 577:10 Unique 2.94, 2.95 A)
&rst
ixpk= 577, nxpk= 10, iat= 434, 432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 25 ALA HA 26 ILE HN 2.80 (# 578:10 Unique 2.42, 2.55 A)
&rst
ixpk= 578, nxpk= 10, iat= 424, 432, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 35 HIS HB+ 26 ILE HN 3.50 (# 579:10 Unique 3.65, 4.41 A)
&rst
ixpk= 579, nxpk= 10, iat= -1, 432, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 571, 572,
&end
#
# 33 VAL HB 26 ILE HN 3.50 (# 580:10 Unique 2.75, 3.13 A)
&rst
ixpk= 580, nxpk= 10, iat= 539, 432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:581 26 ILE HN 4.50 (# 581:10 Single Ambig)
&rst
ixpk= 581, nxpk= 10, iat= -1, 432, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 555, 442, 443,
&end
#
# 26 ILE HB 26 ILE HN 3.50 (# 582:10 Unique 2.62, 3.02 A)
&rst
ixpk= 582, nxpk= 10, iat= 436, 432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:583 26 ILE HN 2.80 (# 583:10 Single Ambig)
&rst
ixpk= 583, nxpk= 10, iat= -1, 432, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 426, 427, 428,1825,1826,1827,1829,1830,1831,
&end
#
# 26 ILE QG2 26 ILE HN 2.80 (# 585:10 Unique 2.03, 3.17 A)
&rst
ixpk= 585, nxpk= 10, iat= -1, 432, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 438, 439, 440,
&end
#
# 0 AMB 10-2:586 26 ILE HN 4.50 (# 586:10 Single Ambig)
&rst
ixpk= 586, nxpk= 10, iat= -1, 432, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 541, 542, 543, 545, 546, 547,1050,1051,1052,1054,
1055,1056,
&end
#
# 112 ASN HN 111 GLU HN 3.50 (# 587:10 Unique 2.23, 2.40 A)
&rst
ixpk= 587, nxpk= 10, iat=1742,1727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 109 THR HB 111 GLU HN 2.80 (# 589:10 Unique 2.23, 2.57 A)
&rst
ixpk= 589, nxpk= 10, iat=1706,1727, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 110 SER HB+ 111 GLU HN 2.80 (# 590:10 Unique 2.62, 3.46 A)
&rst
ixpk= 590, nxpk= 10, iat= -1,1727, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1720,1721,
&end
#
# 0 AMB 10-2:591 111 GLU HN 3.50 (# 591:10 Single Ambig)
&rst
ixpk= 591, nxpk= 10, iat= -1,1727, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1734,1735,1734,1735,
&end
#
# 111 GLU HB- 111 GLU HN 2.80 (# 592:10 Unique 2.10, 2.86 A)
&rst
ixpk= 592, nxpk= 10, iat= -1,1727, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1731,1732,
&end
#
# 111 GLU HB+ 111 GLU HN 3.50 (# 593:10 Unique 2.10, 2.86 A)
&rst
ixpk= 593, nxpk= 10, iat= -1,1727, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1731,1732,
&end
#
# 109 THR MG2 111 GLU HN 5.50 (# 594:10 Unique 3.44, 4.82 A)
&rst
ixpk= 594, nxpk= 10, iat= -1,1727, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1708,1709,1710,
&end
#
# 21 TYR HN 22 ARG HN 5.50 (# 595:10 Unique 2.98, 3.33 A)
&rst
ixpk= 595, nxpk= 10, iat= 336, 357, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 TYR HD 22 ARG HN 3.50 (# 596:10 Unique 1.78, 3.41 A)
&rst
ixpk= 596, nxpk= 10, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 344, 353,
&end
#
# 21 TYR HB- 22 ARG HN 3.50 (# 598:10 Unique 1.79, 2.60 A)
&rst
ixpk= 598, nxpk= 10, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 340, 341,
&end
#
# 21 TYR HB+ 22 ARG HN 2.80 (# 599:10 Unique 1.79, 2.60 A)
&rst
ixpk= 599, nxpk= 10, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 340, 341,
&end
#
# 22 ARG HB- 22 ARG HN 3.50 (# 600:10 Unique 3.01, 3.79 A)
&rst
ixpk= 600, nxpk= 10, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 361, 362,
&end
#
# 22 ARG HG+ 22 ARG HN 4.50 (# 601:10 Unique 2.34, 3.34 A)
&rst
ixpk= 601, nxpk= 10, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 364, 365,
&end
#
# 0 AMB 10-2:602 115 HIS HN 2.80 (# 602:10 Single Ambig)
&rst
ixpk= 602, nxpk= 10, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1799,1767,
&end
#
# 112 ASN HA 115 HIS HN 3.50 (# 603:10 Unique 3.40, 3.51 A)
&rst
ixpk= 603, nxpk= 10, iat=1744,1782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 115 HIS HA 115 HIS HN 2.80 (# 604:10 Unique 2.79, 2.81 A)
&rst
ixpk= 604, nxpk= 10, iat=1784,1782, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 111 GLU HA 115 HIS HN 4.50 (# 605:10 Unique 4.01, 4.18 A)
&rst
ixpk= 605, nxpk= 10, iat=1729,1782, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 115 HIS HB+ 115 HIS HN 2.80 (# 606:10 Unique 2.07, 2.59 A)
&rst
ixpk= 606, nxpk= 10, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1786,1787,
&end
#
# 114 GLU HB- 115 HIS HN 3.50 (# 607:10 Unique 2.55, 3.26 A)
&rst
ixpk= 607, nxpk= 10, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1771,1772,
&end
#
# 114 GLU HB+ 115 HIS HN 3.50 (# 608:10 Unique 2.55, 3.26 A)
&rst
ixpk= 608, nxpk= 10, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1771,1772,
&end
#
# 97 GLU HN 98 GLU HN 2.80 (# 614:10 Unique 2.37, 2.48 A)
&rst
ixpk= 614, nxpk= 10, iat=1501,1516, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 99 LEU HN 98 GLU HN 2.80 (# 617:10 Unique 2.15, 2.20 A)
&rst
ixpk= 617, nxpk= 10, iat=1531,1516, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 100 VAL HN 98 GLU HN 5.50 (# 618:10 Unique 3.46, 3.69 A)
&rst
ixpk= 618, nxpk= 10, iat=1550,1516, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 GLU HA 98 GLU HN 2.80 (# 619:10 Unique 2.90, 2.92 A)
&rst
ixpk= 619, nxpk= 10, iat=1518,1516, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:620 98 GLU HN 3.50 (# 620:10 Single Ambig)
&rst
ixpk= 620, nxpk= 10, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1508,1509,1523,1524,
&end
#
# 98 GLU HB- 98 GLU HN 2.80 (# 621:10 Unique 2.15, 2.75 A)
&rst
ixpk= 621, nxpk= 10, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1520,1521,
&end
#
# 98 GLU HB+ 98 GLU HN 2.80 (# 622:10 Unique 2.15, 2.75 A)
&rst
ixpk= 622, nxpk= 10, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1520,1521,
&end
#
# 96 ALA MB 98 GLU HN 5.50 (# 623:10 Unique 4.57, 5.00 A)
&rst
ixpk= 623, nxpk= 10, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1495,1496,1497,
&end
#
# 99 LEU MDY 98 GLU HN 5.50 (# 624:10 Unique 4.01, 5.99 A)
&rst
ixpk= 624, nxpk= 10, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1540,1541,1542,1544,1545,1546,
&end
#
# 101 GLY HN 100 VAL HN 5.50 (# 625:10 Unique 4.55, 4.62 A)
&rst
ixpk= 625, nxpk= 10, iat=1566,1550, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 GLU HN 100 VAL HN 5.50 (# 626:10 Unique 3.46, 3.69 A)
&rst
ixpk= 626, nxpk= 10, iat=1516,1550, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 LEU HN 100 VAL HN 2.80 (# 627:10 Unique 2.13, 2.17 A)
&rst
ixpk= 627, nxpk= 10, iat=1531,1550, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 99 LEU HA 100 VAL HN 4.50 (# 628:10 Unique 3.33, 3.49 A)
&rst
ixpk= 628, nxpk= 10, iat=1533,1550, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 98 GLU HA 100 VAL HN 5.50 (# 629:10 Unique 3.97, 4.57 A)
&rst
ixpk= 629, nxpk= 10, iat=1518,1550, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 97 GLU HA 100 VAL HN 3.50 (# 630:10 Unique 3.34, 3.52 A)
&rst
ixpk= 630, nxpk= 10, iat=1503,1550, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 100 VAL HA 100 VAL HN 3.50 (# 631:10 Unique 2.69, 2.76 A)
&rst
ixpk= 631, nxpk= 10, iat=1552,1550, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:632 100 VAL HN 4.50 (# 632:10 Single Ambig)
&rst
ixpk= 632, nxpk= 10, iat= -1,1550, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 902,1580,1581,1523,1524,
&end
#
# 100 VAL HB 100 VAL HN 2.80 (# 633:10 Unique 2.22, 2.42 A)
&rst
ixpk= 633, nxpk= 10, iat=1554,1550, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:634 100 VAL HN 5.50 (# 634:10 Single Ambig)
&rst
ixpk= 634, nxpk= 10, iat= -1,1550, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1538, 940, 941,
&end
#
# 99 LEU HB+ 100 VAL HN 4.50 (# 635:10 Unique 2.44, 3.33 A)
&rst
ixpk= 635, nxpk= 10, iat= -1,1550, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1535,1536,
&end
#
# 96 ALA MB 100 VAL HN 5.50 (# 636:10 Unique 5.09, 5.72 A)
&rst
ixpk= 636, nxpk= 10, iat= -1,1550, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1495,1496,1497,
&end
#
# 100 VAL MGX 100 VAL HN 2.80 (# 637:10 Unique 2.02, 3.86 A)
&rst
ixpk= 637, nxpk= 10, iat= -1,1550, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1556,1557,1558,1560,1561,1562,
&end
#
# 100 VAL MGY 100 VAL HN 4.50 (# 638:10 Unique 2.02, 3.86 A)
&rst
ixpk= 638, nxpk= 10, iat= -1,1550, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1556,1557,1558,1560,1561,1562,
&end
#
# 0 AMB 10-2:639 100 VAL HN 3.50 (# 639:10 Single Ambig)
&rst
ixpk= 639, nxpk= 10, iat= -1,1550, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 904, 905, 906, 908, 909, 910,1540,1541,1542,1544,
1545,1546,
&end
#
# 96 ALA HN 95 ARG HN 2.80 (# 640:10 Unique 2.39, 2.67 A)
&rst
ixpk= 640, nxpk= 10, iat=1491,1467, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 91 LYS HA 95 ARG HN 5.50 (# 641:10 Unique 3.49, 3.81 A)
&rst
ixpk= 641, nxpk= 10, iat=1392,1467, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:642 95 ARG HN 2.80 (# 642:10 Single Ambig)
&rst
ixpk= 642, nxpk= 10, iat= -1,1467, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1469,1452,
&end
#
# 0 AMB 10-2:643 95 ARG HN 5.50 (# 643:10 Single Ambig)
&rst
ixpk= 643, nxpk= 10, iat= -1,1467, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1866,1383,1384,1383,1384,
&end
#
# 92 ILE HA 95 ARG HN 5.50 (# 644:10 Unique 3.78, 3.96 A)
&rst
ixpk= 644, nxpk= 10, iat=1414,1467, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 ARG HD+ 95 ARG HN 5.50 (# 645:10 Unique 2.00, 3.82 A)
&rst
ixpk= 645, nxpk= 10, iat= -1,1467, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1477,1478,
&end
#
# 94 GLN HG- 95 ARG HN 5.50 (# 646:10 Unique 1.99, 3.92 A)
&rst
ixpk= 646, nxpk= 10, iat= -1,1467, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1457,1458,
&end
#
# 94 GLN HB- 95 ARG HN 3.50 (# 647:10 Unique 2.19, 3.13 A)
&rst
ixpk= 647, nxpk= 10, iat= -1,1467, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1454,1455,
&end
#
# 94 GLN HB+ 95 ARG HN 3.50 (# 648:10 Unique 2.19, 3.13 A)
&rst
ixpk= 648, nxpk= 10, iat= -1,1467, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1454,1455,
&end
#
# 95 ARG HB- 95 ARG HN 2.80 (# 649:10 Unique 2.15, 2.84 A)
&rst
ixpk= 649, nxpk= 10, iat= -1,1467, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1471,1472,
&end
#
# 95 ARG HG- 95 ARG HN 4.50 (# 650:10 Unique 1.95, 3.70 A)
&rst
ixpk= 650, nxpk= 10, iat= -1,1467, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1474,1475,
&end
#
# 0 AMB 10-2:651 95 ARG HN 5.50 (# 651:10 Single Ambig)
&rst
ixpk= 651, nxpk= 10, iat= -1,1467, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1495,1496,1497,1422,1423,
&end
#
# 0 AMB 10-2:652 95 ARG HN 5.50 (# 652:10 Single Ambig)
&rst
ixpk= 652, nxpk= 10, iat= -1,1467, r1= 0.00, r2= 1.80, r3= 8.20, r4= 8.95,
igr1=1868,1869,1540,1541,1542,1544,1545,1546,1437,1438,
1439,
&end
#
# 120 LEU MDX 95 ARG HN 5.50 (# 653:10 Unique 5.01, 6.93 A)
&rst
ixpk= 653, nxpk= 10, iat= -1,1467, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 37 ALA HN 59 ILE HN 3.50 (# 654:10 Unique 3.17, 3.46 A)
&rst
ixpk= 654, nxpk= 10, iat= 603, 879, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:655 59 ILE HN 4.50 (# 655:10 Single Ambig)
&rst
ixpk= 655, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1605, 869,
&end
#
# 60 VAL HN 59 ILE HN 5.50 (# 656:10 Unique 4.33, 4.40 A)
&rst
ixpk= 656, nxpk= 10, iat= 898, 879, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 PRO HA 59 ILE HN 5.50 (# 657:10 Unique 3.41, 3.69 A)
&rst
ixpk= 657, nxpk= 10, iat= 623, 879, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 ALA HA 59 ILE HN 2.80 (# 658:10 Unique 2.53, 2.65 A)
&rst
ixpk= 658, nxpk= 10, iat= 871, 879, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 39 PRO HD+ 59 ILE HN 5.50 (# 659:10 Unique 3.93, 4.87 A)
&rst
ixpk= 659, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 628, 629,
&end
#
# 0 AMB 10-2:660 59 ILE HN 5.50 (# 660:10 Single Ambig)
&rst
ixpk= 660, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 634, 635, 617, 618,
&end
#
# 59 ILE HB 59 ILE HN 4.50 (# 661:10 Unique 2.67, 3.84 A)
&rst
ixpk= 661, nxpk= 10, iat= 883, 879, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:662 59 ILE HN 2.80 (# 662:10 Single Ambig)
&rst
ixpk= 662, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 873, 874, 875,1692,1693,1694,1696,1697,1698,
&end
#
# 59 ILE HG1+ 59 ILE HN 3.50 (# 663:10 Unique 2.55, 3.16 A)
&rst
ixpk= 663, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 889, 890,
&end
#
# 0 AMB 10-2:664 59 ILE HN 5.50 (# 664:10 Single Ambig)
&rst
ixpk= 664, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 588, 589, 904, 905, 906, 908, 909, 910,
&end
#
# 0 AMB 10-2:665 59 ILE HN 3.50 (# 665:10 Single Ambig)
&rst
ixpk= 665, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1692,1693,1694,1696,1697,1698, 885, 886, 887,
&end
#
# 104 VAL MGY 59 ILE HN 5.50 (# 666:10 Unique 3.47, 5.19 A)
&rst
ixpk= 666, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1611,1612,1613,1615,1616,1617,
&end
#
# 36 LEU MDX 59 ILE HN 5.50 (# 667:10 Unique 2.60, 4.52 A)
&rst
ixpk= 667, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 593, 594, 595, 597, 598, 599,
&end
#
# 33 VAL HA 28 VAL HN 2.80 (# 668:10 Unique 2.38, 2.79 A)
&rst
ixpk= 668, nxpk= 10, iat= 537, 472, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:669 28 VAL HN 5.50 (# 669:10 Single Ambig)
&rst
ixpk= 669, nxpk= 10, iat= -1, 472, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 476, 518, 519,
&end
#
# 28 VAL MGY 28 VAL HN 2.80 (# 670:10 Unique 2.34, 3.29 A)
&rst
ixpk= 670, nxpk= 10, iat= -1, 472, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 478, 479, 480, 482, 483, 484,
&end
#
# 27 TYR HD 28 VAL HN 3.50 (# 671:10 Unique 2.45, 3.98 A)
&rst
ixpk= 671, nxpk= 10, iat= -1, 472, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 459, 468,
&end
#
# 27 TYR HA 28 VAL HN 2.80 (# 672:10 Unique 2.14, 2.15 A)
&rst
ixpk= 672, nxpk= 10, iat= 453, 472, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:673 28 VAL HN 2.80 (# 673:10 Single Ambig)
&rst
ixpk= 673, nxpk= 10, iat= -1, 472, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 478, 479, 480, 482, 483, 484, 541, 542, 543, 545,
546, 547,
&end
#
# 35 HIS HA 36 LEU HN 2.80 (# 674:10 Unique 2.30, 2.44 A)
&rst
ixpk= 674, nxpk= 10, iat= 569, 584, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 36 LEU HA 36 LEU HN 3.50 (# 676:10 Unique 2.88, 2.89 A)
&rst
ixpk= 676, nxpk= 10, iat= 586, 584, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 HIS HB+ 36 LEU HN 2.80 (# 677:10 Unique 2.17, 3.10 A)
&rst
ixpk= 677, nxpk= 10, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 571, 572,
&end
#
# 36 LEU HB+ 36 LEU HN 3.50 (# 678:10 Unique 2.10, 2.66 A)
&rst
ixpk= 678, nxpk= 10, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 588, 589,
&end
#
# 0 AMB 10-2:679 36 LEU HN 4.50 (# 679:10 Single Ambig)
&rst
ixpk= 679, nxpk= 10, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=1825,1826,1827,1829,1830,1831, 426, 427, 428,1692,
1693,1694,1696,1697,1698,
&end
#
# 36 LEU MDY 36 LEU HN 4.50 (# 680:10 Unique 2.85, 4.80 A)
&rst
ixpk= 680, nxpk= 10, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 593, 594, 595, 597, 598, 599,
&end
#
# 36 LEU HB- 36 LEU HN 3.50 (# 681:10 Unique 2.10, 2.66 A)
&rst
ixpk= 681, nxpk= 10, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 588, 589,
&end
#
# 0 AMB 10-2:682 36 LEU HN 5.50 (# 682:10 Single Ambig)
&rst
ixpk= 682, nxpk= 10, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 904, 905, 906, 908, 909, 910,1692,1693,1694,1696,
1697,1698,
&end
#
# 36 LEU HG 36 LEU HN 4.50 (# 683:10 Unique 3.72, 4.27 A)
&rst
ixpk= 683, nxpk= 10, iat= 591, 584, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 ALA HN 57 LYS HN 4.50 (# 684:10 Unique 4.25, 4.41 A)
&rst
ixpk= 684, nxpk= 10, iat= 869, 847, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 ASP HN 57 LYS HN 3.50 (# 685:10 Unique 2.63, 3.17 A)
&rst
ixpk= 685, nxpk= 10, iat= 835, 847, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 56 ASP HA 57 LYS HN 2.80 (# 687:10 Unique 2.48, 2.68 A)
&rst
ixpk= 687, nxpk= 10, iat= 837, 847, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:688 57 LYS HN 5.50 (# 688:10 Single Ambig)
&rst
ixpk= 688, nxpk= 10, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 823, 804,
&end
#
# 0 AMB 10-2:689 57 LYS HN 3.50 (# 689:10 Single Ambig)
&rst
ixpk= 689, nxpk= 10, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 839, 840, 839, 840,
&end
#
# 57 LYS HB- 57 LYS HN 3.50 (# 690:10 Unique 2.32, 3.22 A)
&rst
ixpk= 690, nxpk= 10, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 851, 852,
&end
#
# 57 LYS HB+ 57 LYS HN 2.80 (# 691:10 Unique 2.32, 3.22 A)
&rst
ixpk= 691, nxpk= 10, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 851, 852,
&end
#
# 0 AMB 10-2:692 57 LYS HN 2.80 (# 692:10 Single Ambig)
&rst
ixpk= 692, nxpk= 10, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 854, 855, 854, 855,
&end
#
# 0 AMB 10-2:693 120 LEU HN 5.50 (# 693:10 Single Ambig)
&rst
ixpk= 693, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1907,1835,
&end
#
# 119 GLU HN 120 LEU HN 3.50 (# 694:10 Unique 2.51, 2.59 A)
&rst
ixpk= 694, nxpk= 10, iat=1849,1864, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 121 ARG HN 120 LEU HN 3.50 (# 695:10 Unique 2.19, 2.30 A)
&rst
ixpk= 695, nxpk= 10, iat=1883,1864, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 120 LEU HA 120 LEU HN 2.80 (# 696:10 Unique 2.88, 2.92 A)
&rst
ixpk= 696, nxpk= 10, iat=1866,1864, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 119 GLU HA 120 LEU HN 5.50 (# 697:10 Unique 3.35, 3.41 A)
&rst
ixpk= 697, nxpk= 10, iat=1851,1864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 119 GLU HG+ 120 LEU HN 5.50 (# 698:10 Unique 2.53, 4.63 A)
&rst
ixpk= 698, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1856,1857,
&end
#
# 0 AMB 10-2:699 120 LEU HN 3.50 (# 699:10 Single Ambig)
&rst
ixpk= 699, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1856,1857,1853,1854,
&end
#
# 0 AMB 10-2:700 120 LEU HN 5.50 (# 700:10 Single Ambig)
&rst
ixpk= 700, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1887,1888, 436,
&end
#
# 120 LEU HG 120 LEU HN 4.50 (# 701:10 Unique 1.90, 2.01 A)
&rst
ixpk= 701, nxpk= 10, iat=1871,1864, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 120 LEU HB+ 120 LEU HN 3.50 (# 702:10 Unique 2.81, 3.25 A)
&rst
ixpk= 702, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1868,1869,
&end
#
# 0 AMB 10-2:703 120 LEU HN 4.50 (# 703:10 Single Ambig)
&rst
ixpk= 703, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 445, 446, 447,1418,1419,1420,
&end
#
# 120 LEU MDX 120 LEU HN 4.50 (# 704:10 Unique 2.61, 4.01 A)
&rst
ixpk= 704, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 120 LEU MDY 120 LEU HN 3.50 (# 705:10 Unique 2.61, 4.01 A)
&rst
ixpk= 705, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 69 ALA HN 67 ASP HN 5.50 (# 706:10 Unique 3.88, 4.21 A)
&rst
ixpk= 706, nxpk= 10, iat=1060,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 TYR HN 67 ASP HN 3.50 (# 707:10 Unique 2.68, 2.76 A)
&rst
ixpk= 707, nxpk= 10, iat=1011,1032, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 VAL HN 67 ASP HN 2.80 (# 708:10 Unique 2.14, 2.25 A)
&rst
ixpk= 708, nxpk= 10, iat=1044,1032, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 66 TYR HD 67 ASP HN 5.50 (# 709:10 Unique 1.91, 4.50 A)
&rst
ixpk= 709, nxpk= 10, iat= -1,1032, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1019,1028,
&end
#
# 67 ASP HA 67 ASP HN 3.50 (# 710:10 Unique 2.85, 2.91 A)
&rst
ixpk= 710, nxpk= 10, iat=1034,1032, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 TYR HA 67 ASP HN 4.50 (# 711:10 Unique 3.43, 3.52 A)
&rst
ixpk= 711, nxpk= 10, iat=1013,1032, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 TYR HB- 67 ASP HN 4.50 (# 712:10 Unique 2.34, 3.36 A)
&rst
ixpk= 712, nxpk= 10, iat= -1,1032, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1015,1016,
&end
#
# 0 AMB 10-2:713 67 ASP HN 2.80 (# 713:10 Single Ambig)
&rst
ixpk= 713, nxpk= 10, iat= -1,1032, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1036,1037,1036,1037,
&end
#
# 68 VAL HB 67 ASP HN 5.50 (# 714:10 Unique 4.34, 4.54 A)
&rst
ixpk= 714, nxpk= 10, iat=1048,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 LEU HB- 67 ASP HN 3.50 (# 715:10 Unique 2.55, 3.23 A)
&rst
ixpk= 715, nxpk= 10, iat= -1,1032, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 977, 978,
&end
#
# 0 AMB 10-2:716 67 ASP HN 5.50 (# 716:10 Single Ambig)
&rst
ixpk= 716, nxpk= 10, iat= -1,1032, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 982, 983, 984, 986, 987, 988, 541, 542, 543, 545,
546, 547,
&end
#
# 0 AMB 10-2:717 67 ASP HN 3.50 (# 717:10 Single Ambig)
&rst
ixpk= 717, nxpk= 10, iat= -1,1032, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
1055,1056,
&end
#
# 112 ASN HA 116 PHE HN 5.50 (# 719:10 Unique 3.98, 4.12 A)
&rst
ixpk= 719, nxpk= 10, iat=1744,1799, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 115 HIS HN 116 PHE HN 3.50 (# 720:10 Unique 2.58, 2.70 A)
&rst
ixpk= 720, nxpk= 10, iat=1782,1799, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 117 VAL HN 116 PHE HN 3.50 (# 721:10 Unique 2.67, 2.84 A)
&rst
ixpk= 721, nxpk= 10, iat=1819,1799, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 116 PHE HD 116 PHE HN 4.50 (# 722:10 Unique 3.61, 4.58 A)
&rst
ixpk= 722, nxpk= 10, iat= -1,1799, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1807,1815,
&end
#
# 116 PHE HA 116 PHE HN 2.80 (# 723:10 Unique 2.77, 2.81 A)
&rst
ixpk= 723, nxpk= 10, iat=1801,1799, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 116 PHE HB- 116 PHE HN 2.80 (# 724:10 Unique 2.08, 2.57 A)
&rst
ixpk= 724, nxpk= 10, iat= -1,1799, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1803,1804,
&end
#
# 113 CYS HB+ 116 PHE HN 5.50 (# 725:10 Unique 5.20, 5.48 A)
&rst
ixpk= 725, nxpk= 10, iat= -1,1799, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1760,1761,
&end
#
# 115 HIS HB+ 116 PHE HN 2.80 (# 726:10 Unique 2.36, 3.10 A)
&rst
ixpk= 726, nxpk= 10, iat= -1,1799, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1786,1787,
&end
#
# 116 PHE HB+ 116 PHE HN 2.80 (# 727:10 Unique 2.08, 2.57 A)
&rst
ixpk= 727, nxpk= 10, iat= -1,1799, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1803,1804,
&end
#
# 36 LEU HG 116 PHE HN 5.50 (# 728:10 Unique 4.59, 4.69 A)
&rst
ixpk= 728, nxpk= 10, iat= 591,1799, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 93 ILE HN 94 GLN HN 3.50 (# 729:10 Unique 2.63, 2.70 A)
&rst
ixpk= 729, nxpk= 10, iat=1431,1450, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 95 ARG HN 94 GLN HN 3.50 (# 730:10 Unique 2.70, 2.88 A)
&rst
ixpk= 730, nxpk= 10, iat=1467,1450, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:731 57 LYS HN 3.50 (# 731:10 Single Ambig)
&rst
ixpk= 731, nxpk= 10, iat= -1, 847, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1663, 825,
&end
#
# 94 GLN HA 94 GLN HN 2.80 (# 732:10 Unique 2.73, 2.77 A)
&rst
ixpk= 732, nxpk= 10, iat=1452,1450, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:733 0 AMB 10-1:733 5.50 (# 733:10 Double Ambig)
&rst
ixpk= 733, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 628, 629,1383,1384,
igr2= 847,1450,
&end
#
# 93 ILE HA 94 GLN HN 4.50 (# 734:10 Unique 3.52, 3.55 A)
&rst
ixpk= 734, nxpk= 10, iat=1433,1450, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 GLN HG- 94 GLN HN 3.50 (# 735:10 Unique 2.43, 3.08 A)
&rst
ixpk= 735, nxpk= 10, iat= -1,1450, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1457,1458,
&end
#
# 94 GLN HG+ 94 GLN HN 4.50 (# 736:10 Unique 2.43, 3.08 A)
&rst
ixpk= 736, nxpk= 10, iat= -1,1450, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1457,1458,
&end
#
# 94 GLN HB- 94 GLN HN 2.80 (# 737:10 Unique 2.14, 2.92 A)
&rst
ixpk= 737, nxpk= 10, iat= -1,1450, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1454,1455,
&end
#
# 94 GLN HB+ 94 GLN HN 2.80 (# 738:10 Unique 2.14, 2.92 A)
&rst
ixpk= 738, nxpk= 10, iat= -1,1450, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1454,1455,
&end
#
# 93 ILE HB 94 GLN HN 2.80 (# 739:10 Unique 2.19, 2.50 A)
&rst
ixpk= 739, nxpk= 10, iat=1435,1450, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:740 0 AMB 10-1:740 3.50 (# 740:10 Double Ambig)
&rst
ixpk= 740, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1668,1669,1441,1442,
igr2= 847,1450,
&end
#
# 93 ILE QG2 94 GLN HN 3.50 (# 741:10 Unique 3.57, 4.36 A)
&rst
ixpk= 741, nxpk= 10, iat= -1,1450, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1437,1438,1439,
&end
#
# 0 AMB 10-2:742 94 GLN HN 4.50 (# 742:10 Single Ambig)
&rst
ixpk= 742, nxpk= 10, iat= -1,1450, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1444,1445,1446, 478, 479, 480, 482, 483, 484,
&end
#
# 103 GLU HA 104 VAL HN 2.80 (# 743:10 Unique 2.14, 2.15 A)
&rst
ixpk= 743, nxpk= 10, iat=1592,1605, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 103 GLU HB+ 104 VAL HN 3.50 (# 744:10 Unique 3.55, 3.98 A)
&rst
ixpk= 744, nxpk= 10, iat= -1,1605, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1594,1595,
&end
#
# 58 ALA MB 104 VAL HN 4.50 (# 745:10 Unique 4.04, 4.96 A)
&rst
ixpk= 745, nxpk= 10, iat= -1,1605, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 873, 874, 875,
&end
#
# 104 VAL MGX 104 VAL HN 3.50 (# 746:10 Unique 2.01, 3.05 A)
&rst
ixpk= 746, nxpk= 10, iat= -1,1605, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1611,1612,1613,1615,1616,1617,
&end
#
# 104 VAL MGY 104 VAL HN 2.80 (# 747:10 Unique 2.01, 3.05 A)
&rst
ixpk= 747, nxpk= 10, iat= -1,1605, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1611,1612,1613,1615,1616,1617,
&end
#
# 104 VAL HA 104 VAL HN 3.50 (# 748:10 Unique 2.81, 2.86 A)
&rst
ixpk= 748, nxpk= 10, iat=1607,1605, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 103 GLU HG+ 104 VAL HN 4.50 (# 749:10 Unique 4.76, 5.01 A)
&rst
ixpk= 749, nxpk= 10, iat= -1,1605, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1597,1598,
&end
#
# 104 VAL HB 104 VAL HN 3.50 (# 750:10 Unique 3.61, 3.63 A)
&rst
ixpk= 750, nxpk= 10, iat=1609,1605, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 ILE HB 104 VAL HN 5.50 (# 751:10 Unique 4.19, 4.48 A)
&rst
ixpk= 751, nxpk= 10, iat= 883,1605, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:752 107 LYS HN 3.50 (# 752:10 Single Ambig)
&rst
ixpk= 752, nxpk= 10, iat= -1,1661, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1751,1752,1683,
&end
#
# 112 ASN HD2- 107 LYS HN 3.50 (# 753:10 Unique 1.87, 3.32 A)
&rst
ixpk= 753, nxpk= 10, iat= -1,1661, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1751,1752,
&end
#
# 106 TYR HD 107 LYS HN 4.50 (# 754:10 Unique 2.81, 4.81 A)
&rst
ixpk= 754, nxpk= 10, iat= -1,1661, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1648,1657,
&end
#
# 106 TYR HA 107 LYS HN 2.80 (# 755:10 Unique 2.21, 2.30 A)
&rst
ixpk= 755, nxpk= 10, iat=1642,1661, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 107 LYS HA 107 LYS HN 3.50 (# 756:10 Unique 2.80, 2.83 A)
&rst
ixpk= 756, nxpk= 10, iat=1663,1661, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 106 TYR HB- 107 LYS HN 3.50 (# 757:10 Unique 2.08, 3.27 A)
&rst
ixpk= 757, nxpk= 10, iat= -1,1661, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1644,1645,
&end
#
# 106 TYR HB+ 107 LYS HN 3.50 (# 758:10 Unique 2.08, 3.27 A)
&rst
ixpk= 758, nxpk= 10, iat= -1,1661, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1644,1645,
&end
#
# 0 AMB 10-2:759 107 LYS HN 4.50 (# 759:10 Single Ambig)
&rst
ixpk= 759, nxpk= 10, iat= -1,1661, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 839, 840, 839, 840,
&end
#
# 107 LYS HB+ 107 LYS HN 2.80 (# 760:10 Unique 2.07, 2.73 A)
&rst
ixpk= 760, nxpk= 10, iat= -1,1661, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1665,1666,
&end
#
# 107 LYS HG+ 107 LYS HN 3.50 (# 761:10 Unique 2.24, 3.82 A)
&rst
ixpk= 761, nxpk= 10, iat= -1,1661, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1668,1669,
&end
#
# 0 AMB 10-2:762 107 LYS HN 5.50 (# 762:10 Single Ambig)
&rst
ixpk= 762, nxpk= 10, iat= -1,1661, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1708,1709,1710, 873, 874, 875,1692,1693,1694,1696,
1697,1698,
&end
#
# 0 AMB 10-2:763 106 TYR HN 3.50 (# 763:10 Single Ambig)
&rst
ixpk= 763, nxpk= 10, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1621, 869,
&end
#
# 0 AMB 10-2:764 106 TYR HN 2.80 (# 764:10 Single Ambig)
&rst
ixpk= 764, nxpk= 10, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1642, 849,
&end
#
# 0 AMB 10-2:765 106 TYR HN 3.50 (# 765:10 Single Ambig)
&rst
ixpk= 765, nxpk= 10, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1623,1607,
&end
#
# 106 TYR HB- 106 TYR HN 4.50 (# 766:10 Unique 2.17, 3.32 A)
&rst
ixpk= 766, nxpk= 10, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1644,1645,
&end
#
# 106 TYR HB+ 106 TYR HN 3.50 (# 767:10 Unique 2.17, 3.32 A)
&rst
ixpk= 767, nxpk= 10, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1644,1645,
&end
#
# 104 VAL HB 106 TYR HN 3.50 (# 768:10 Unique 2.53, 2.68 A)
&rst
ixpk= 768, nxpk= 10, iat=1609,1640, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 105 LEU HB+ 106 TYR HN 3.50 (# 769:10 Unique 2.84, 3.75 A)
&rst
ixpk= 769, nxpk= 10, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1625,1626,
&end
#
# 58 ALA MB 106 TYR HN 5.50 (# 770:10 Unique 3.35, 5.09 A)
&rst
ixpk= 770, nxpk= 10, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 873, 874, 875,
&end
#
# 105 LEU MDY 106 TYR HN 4.50 (# 771:10 Unique 4.25, 5.70 A)
&rst
ixpk= 771, nxpk= 10, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1630,1631,1632,1634,1635,1636,
&end
#
# 104 VAL MGX 106 TYR HN 4.50 (# 772:10 Unique 1.90, 3.98 A)
&rst
ixpk= 772, nxpk= 10, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1611,1612,1613,1615,1616,1617,
&end
#
# 104 VAL MGY 106 TYR HN 4.50 (# 773:10 Unique 1.90, 3.98 A)
&rst
ixpk= 773, nxpk= 10, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1611,1612,1613,1615,1616,1617,
&end
#
# 0 AMB 10-2:774 99 LEU HN 5.50 (# 774:10 Single Ambig)
&rst
ixpk= 774, nxpk= 10, iat= -1,1531, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1501,1491,
&end
#
# 98 GLU HN 99 LEU HN 3.50 (# 775:10 Unique 2.15, 2.20 A)
&rst
ixpk= 775, nxpk= 10, iat=1516,1531, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 100 VAL HN 99 LEU HN 2.80 (# 776:10 Unique 2.13, 2.17 A)
&rst
ixpk= 776, nxpk= 10, iat=1550,1531, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 99 LEU HA 99 LEU HN 3.50 (# 777:10 Unique 2.92, 2.93 A)
&rst
ixpk= 777, nxpk= 10, iat=1533,1531, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 98 GLU HA 99 LEU HN 3.50 (# 778:10 Unique 3.38, 3.45 A)
&rst
ixpk= 778, nxpk= 10, iat=1518,1531, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 GLU HA 99 LEU HN 5.50 (# 779:10 Unique 3.84, 4.05 A)
&rst
ixpk= 779, nxpk= 10, iat=1503,1531, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 ALA HA 99 LEU HN 4.50 (# 780:10 Unique 3.25, 3.59 A)
&rst
ixpk= 780, nxpk= 10, iat=1493,1531, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:781 99 LEU HN 4.50 (# 781:10 Single Ambig)
&rst
ixpk= 781, nxpk= 10, iat= -1,1531, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1523,1524,1508,1509,
&end
#
# 98 GLU HB- 99 LEU HN 3.50 (# 782:10 Unique 3.11, 3.54 A)
&rst
ixpk= 782, nxpk= 10, iat= -1,1531, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1520,1521,
&end
#
# 99 LEU HB- 99 LEU HN 2.80 (# 783:10 Unique 2.46, 3.10 A)
&rst
ixpk= 783, nxpk= 10, iat= -1,1531, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1535,1536,
&end
#
# 99 LEU HG 99 LEU HN 2.80 (# 784:10 Unique 2.46, 2.62 A)
&rst
ixpk= 784, nxpk= 10, iat=1538,1531, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 99 LEU HB+ 99 LEU HN 3.50 (# 785:10 Unique 2.46, 3.10 A)
&rst
ixpk= 785, nxpk= 10, iat= -1,1531, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1535,1536,
&end
#
# 96 ALA MB 99 LEU HN 5.50 (# 786:10 Unique 5.11, 5.56 A)
&rst
ixpk= 786, nxpk= 10, iat= -1,1531, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1495,1496,1497,
&end
#
# 100 VAL MGX 99 LEU HN 4.50 (# 787:10 Unique 3.34, 5.65 A)
&rst
ixpk= 787, nxpk= 10, iat= -1,1531, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1556,1557,1558,1560,1561,1562,
&end
#
# 0 AMB 10-2:788 99 LEU HN 3.50 (# 788:10 Single Ambig)
&rst
ixpk= 788, nxpk= 10, iat= -1,1531, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1540,1541,1542,1544,1545,1546, 904, 905, 906, 908,
909, 910,
&end
#
# 113 CYS HN 109 THR HN 5.50 (# 790:10 Unique 2.55, 3.89 A)
&rst
ixpk= 790, nxpk= 10, iat=1756,1702, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 112 ASN HD2+ 109 THR HN 3.50 (# 791:10 Unique 1.86, 3.00 A)
&rst
ixpk= 791, nxpk= 10, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1751,1752,
&end
#
# 112 ASN HN 109 THR HN 4.50 (# 792:10 Unique 3.44, 3.54 A)
&rst
ixpk= 792, nxpk= 10, iat=1742,1702, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 112 ASN HD2- 109 THR HN 5.50 (# 793:10 Unique 1.86, 3.00 A)
&rst
ixpk= 793, nxpk= 10, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1751,1752,
&end
#
# 0 AMB 10-2:795 109 THR HN 3.50 (# 795:10 Single Ambig)
&rst
ixpk= 795, nxpk= 10, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1704,1706,
&end
#
# 112 ASN HA 109 THR HN 5.50 (# 796:10 Unique 4.68, 4.85 A)
&rst
ixpk= 796, nxpk= 10, iat=1744,1702, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 108 LEU HA 109 THR HN 2.80 (# 797:10 Unique 2.14, 2.37 A)
&rst
ixpk= 797, nxpk= 10, iat=1685,1702, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 112 ASN HB- 109 THR HN 3.50 (# 798:10 Unique 1.90, 2.60 A)
&rst
ixpk= 798, nxpk= 10, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1746,1747,
&end
#
# 112 ASN HB+ 109 THR HN 3.50 (# 799:10 Unique 1.90, 2.60 A)
&rst
ixpk= 799, nxpk= 10, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1746,1747,
&end
#
# 0 AMB 10-2:800 109 THR HN 3.50 (# 800:10 Single Ambig)
&rst
ixpk= 800, nxpk= 10, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1665,1666,1687,1688,
&end
#
# 107 LYS HG+ 109 THR HN 5.50 (# 801:10 Unique 2.10, 5.71 A)
&rst
ixpk= 801, nxpk= 10, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1668,1669,
&end
#
# 108 LEU HB+ 109 THR HN 4.50 (# 802:10 Unique 3.38, 4.35 A)
&rst
ixpk= 802, nxpk= 10, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1687,1688,
&end
#
# 109 THR MG2 109 THR HN 3.50 (# 803:10 Unique 2.40, 3.92 A)
&rst
ixpk= 803, nxpk= 10, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1708,1709,1710,
&end
#
# 108 LEU MDX 109 THR HN 4.50 (# 804:10 Unique 3.58, 5.61 A)
&rst
ixpk= 804, nxpk= 10, iat= -1,1702, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1692,1693,1694,1696,1697,1698,
&end
#
# 22 ARG HN 21 TYR HN 5.50 (# 805:10 Unique 2.98, 3.33 A)
&rst
ixpk= 805, nxpk= 10, iat= 357, 336, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 PHE HN 21 TYR HN 2.80 (# 806:10 Unique 2.09, 2.28 A)
&rst
ixpk= 806, nxpk= 10, iat= 316, 336, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 21 TYR HD 21 TYR HN 3.50 (# 807:10 Unique 2.22, 3.58 A)
&rst
ixpk= 807, nxpk= 10, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 344, 353,
&end
#
# 21 TYR HE 21 TYR HN 5.50 (# 808:10 Unique 3.95, 4.89 A)
&rst
ixpk= 808, nxpk= 10, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 346, 351,
&end
#
# 0 AMB 10-2:810 21 TYR HN 5.50 (# 810:10 Single Ambig)
&rst
ixpk= 810, nxpk= 10, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 280, 260,
&end
#
# 19 PRO HA 21 TYR HN 5.50 (# 811:10 Unique 4.69, 4.95 A)
&rst
ixpk= 811, nxpk= 10, iat= 312, 336, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 PHE HB+ 21 TYR HN 5.50 (# 812:10 Unique 2.45, 2.93 A)
&rst
ixpk= 812, nxpk= 10, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 320, 321,
&end
#
# 21 TYR HB- 21 TYR HN 3.50 (# 813:10 Unique 3.27, 3.74 A)
&rst
ixpk= 813, nxpk= 10, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 340, 341,
&end
#
# 21 TYR HB+ 21 TYR HN 3.50 (# 814:10 Unique 3.27, 3.74 A)
&rst
ixpk= 814, nxpk= 10, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 340, 341,
&end
#
# 18 ARG HD- 21 TYR HN 5.50 (# 815:10 Unique 3.58, 4.72 A)
&rst
ixpk= 815, nxpk= 10, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 288, 289,
&end
#
# 0 AMB 10-2:816 21 TYR HN 5.50 (# 816:10 Single Ambig)
&rst
ixpk= 816, nxpk= 10, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 306, 307, 309, 310,
&end
#
# 18 ARG HB+ 21 TYR HN 3.50 (# 817:10 Unique 1.95, 2.88 A)
&rst
ixpk= 817, nxpk= 10, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 282, 283,
&end
#
# 18 ARG HG- 21 TYR HN 5.50 (# 818:10 Unique 3.67, 5.18 A)
&rst
ixpk= 818, nxpk= 10, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 285, 286,
&end
#
# 102 GLN HN 101 GLY HN 3.50 (# 819:10 Unique 2.25, 2.42 A)
&rst
ixpk= 819, nxpk= 10, iat=1573,1566, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 GLY HA+ 101 GLY HN 3.50 (# 820:10 Unique 2.30, 2.63 A)
&rst
ixpk= 820, nxpk= 10, iat= -1,1566, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1568,1569,
&end
#
# 101 GLY HA- 101 GLY HN 3.50 (# 821:10 Unique 2.30, 2.63 A)
&rst
ixpk= 821, nxpk= 10, iat= -1,1566, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1568,1569,
&end
#
# 100 VAL HA 101 GLY HN 2.80 (# 822:10 Unique 2.18, 2.27 A)
&rst
ixpk= 822, nxpk= 10, iat=1552,1566, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 60 VAL HB 101 GLY HN 3.50 (# 823:10 Unique 2.25, 2.75 A)
&rst
ixpk= 823, nxpk= 10, iat= 902,1566, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 100 VAL HB 101 GLY HN 5.50 (# 824:10 Unique 3.91, 4.04 A)
&rst
ixpk= 824, nxpk= 10, iat=1554,1566, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 VAL MGX 101 GLY HN 4.50 (# 825:10 Unique 1.92, 3.70 A)
&rst
ixpk= 825, nxpk= 10, iat= -1,1566, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1556,1557,1558,1560,1561,1562,
&end
#
# 100 VAL MGY 101 GLY HN 3.50 (# 826:10 Unique 1.92, 3.70 A)
&rst
ixpk= 826, nxpk= 10, iat= -1,1566, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1556,1557,1558,1560,1561,1562,
&end
#
# 60 VAL MGX 101 GLY HN 3.50 (# 827:10 Unique 3.28, 4.77 A)
&rst
ixpk= 827, nxpk= 10, iat= -1,1566, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 904, 905, 906, 908, 909, 910,
&end
#
# 0 AMB 10-2:828 101 GLY HN 3.50 (# 828:10 Single Ambig)
&rst
ixpk= 828, nxpk= 10, iat= -1,1566, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 904, 905, 906, 908, 909, 910, 885, 886, 887,
&end
#
# 122 TYR HN 124 VAL HN 5.50 (# 829:10 Unique 3.88, 4.35 A)
&rst
ixpk= 829, nxpk= 10, iat=1907,1935, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 125 ALA HN 124 VAL HN 5.50 (# 830:10 Unique 2.72, 3.91 A)
&rst
ixpk= 830, nxpk= 10, iat=1951,1935, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 123 GLY HN 124 VAL HN 3.50 (# 831:10 Unique 1.89, 2.24 A)
&rst
ixpk= 831, nxpk= 10, iat=1928,1935, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:832 124 VAL HN 2.80 (# 832:10 Single Ambig)
&rst
ixpk= 832, nxpk= 10, iat= -1,1935, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1930,1931,1937,
&end
#
# 123 GLY HA- 124 VAL HN 3.50 (# 833:10 Unique 2.68, 3.18 A)
&rst
ixpk= 833, nxpk= 10, iat= -1,1935, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1930,1931,
&end
#
# 119 GLU HA 124 VAL HN 3.50 (# 834:10 Unique 1.96, 2.78 A)
&rst
ixpk= 834, nxpk= 10, iat=1851,1935, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:835 124 VAL HN 3.50 (# 835:10 Single Ambig)
&rst
ixpk= 835, nxpk= 10, iat= -1,1935, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1911,1912,1839,1840,
&end
#
# 122 TYR HB+ 124 VAL HN 3.50 (# 836:10 Unique 2.70, 3.92 A)
&rst
ixpk= 836, nxpk= 10, iat= -1,1935, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1911,1912,
&end
#
# 0 AMB 10-2:837 124 VAL HN 4.50 (# 837:10 Single Ambig)
&rst
ixpk= 837, nxpk= 10, iat= -1,1935, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1856,1857,1853,1854,
&end
#
# 124 VAL HB 124 VAL HN 3.50 (# 838:10 Unique 2.91, 3.28 A)
&rst
ixpk= 838, nxpk= 10, iat=1939,1935, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 124 VAL MGY 124 VAL HN 3.50 (# 839:10 Unique 2.08, 4.20 A)
&rst
ixpk= 839, nxpk= 10, iat= -1,1935, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1941,1942,1943,1945,1946,1947,
&end
#
# 84 TYR HN 82 ASP HN 3.50 (# 840:10 Unique 3.12, 3.38 A)
&rst
ixpk= 840, nxpk= 10, iat=1289,1255, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 81 ASP HN 82 ASP HN 3.50 (# 841:10 Unique 2.53, 2.61 A)
&rst
ixpk= 841, nxpk= 10, iat=1243,1255, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 LYS HN 82 ASP HN 2.80 (# 842:10 Unique 1.89, 2.03 A)
&rst
ixpk= 842, nxpk= 10, iat=1267,1255, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 80 HIS HA 82 ASP HN 2.80 (# 843:10 Unique 2.90, 2.93 A)
&rst
ixpk= 843, nxpk= 10, iat=1228,1255, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 82 ASP HA 82 ASP HN 3.50 (# 845:10 Unique 2.93, 2.94 A)
&rst
ixpk= 845, nxpk= 10, iat=1257,1255, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 LYS HA 82 ASP HN 5.50 (# 846:10 Unique 4.61, 4.76 A)
&rst
ixpk= 846, nxpk= 10, iat=1269,1255, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 81 ASP HB+ 82 ASP HN 3.50 (# 847:10 Unique 3.62, 4.02 A)
&rst
ixpk= 847, nxpk= 10, iat= -1,1255, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1247,1248,
&end
#
# 82 ASP HB+ 82 ASP HN 2.80 (# 848:10 Unique 2.25, 2.83 A)
&rst
ixpk= 848, nxpk= 10, iat= -1,1255, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1259,1260,
&end
#
# 83 LYS HB+ 82 ASP HN 4.50 (# 849:10 Unique 3.97, 5.08 A)
&rst
ixpk= 849, nxpk= 10, iat= -1,1255, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1271,1272,
&end
#
# 83 LYS HG- 82 ASP HN 5.50 (# 850:10 Unique 3.16, 4.27 A)
&rst
ixpk= 850, nxpk= 10, iat= -1,1255, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1274,1275,
&end
#
# 73 LYS HN 74 TYR HN 5.50 (# 852:10 Unique 2.20, 3.77 A)
&rst
ixpk= 852, nxpk= 10, iat=1100,1122, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 74 TYR HD 74 TYR HN 3.50 (# 853:10 Unique 2.33, 3.50 A)
&rst
ixpk= 853, nxpk= 10, iat= -1,1122, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1130,1139,
&end
#
# 74 TYR HA 74 TYR HN 3.50 (# 854:10 Unique 2.87, 2.92 A)
&rst
ixpk= 854, nxpk= 10, iat=1124,1122, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 LYS HA 74 TYR HN 2.80 (# 855:10 Unique 2.14, 2.35 A)
&rst
ixpk= 855, nxpk= 10, iat=1102,1122, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 74 TYR HB+ 74 TYR HN 3.50 (# 856:10 Unique 3.08, 3.56 A)
&rst
ixpk= 856, nxpk= 10, iat= -1,1122, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1126,1127,
&end
#
# 73 LYS HB+ 74 TYR HN 4.50 (# 857:10 Unique 2.94, 4.11 A)
&rst
ixpk= 857, nxpk= 10, iat= -1,1122, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1104,1105,
&end
#
# 0 AMB 10-2:858 74 TYR HN 4.50 (# 858:10 Single Ambig)
&rst
ixpk= 858, nxpk= 10, iat= -1,1122, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1107,1108,1110,1111,
&end
#
# 84 TYR HN 85 SER HN 4.50 (# 859:10 Unique 2.70, 4.31 A)
&rst
ixpk= 859, nxpk= 10, iat=1289,1310, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 84 TYR HD 85 SER HN 3.50 (# 860:10 Unique 3.30, 4.35 A)
&rst
ixpk= 860, nxpk= 10, iat= -1,1310, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1297,1306,
&end
#
# 84 TYR HA 85 SER HN 2.80 (# 861:10 Unique 2.19, 2.61 A)
&rst
ixpk= 861, nxpk= 10, iat=1291,1310, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 85 SER HB+ 85 SER HN 3.50 (# 863:10 Unique 3.02, 3.77 A)
&rst
ixpk= 863, nxpk= 10, iat= -1,1310, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1314,1315,
&end
#
# 85 SER HB- 85 SER HN 3.50 (# 864:10 Unique 3.02, 3.77 A)
&rst
ixpk= 864, nxpk= 10, iat= -1,1310, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1314,1315,
&end
#
# 84 TYR HB- 85 SER HN 2.80 (# 865:10 Unique 1.83, 2.85 A)
&rst
ixpk= 865, nxpk= 10, iat= -1,1310, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1293,1294,
&end
#
# 84 TYR HB+ 85 SER HN 3.50 (# 866:10 Unique 1.83, 2.85 A)
&rst
ixpk= 866, nxpk= 10, iat= -1,1310, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1293,1294,
&end
#
# 15 GLU HN 75 GLN HN 3.50 (# 873:10 Unique 2.58, 2.96 A)
&rst
ixpk= 873, nxpk= 10, iat= 224,1143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 PHE HD 75 GLN HN 5.50 (# 874:10 Unique 3.76, 6.17 A)
&rst
ixpk= 874, nxpk= 10, iat= -1,1143, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 266, 274,
&end
#
# 74 TYR HD 75 GLN HN 3.50 (# 875:10 Unique 3.54, 4.67 A)
&rst
ixpk= 875, nxpk= 10, iat= -1,1143, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1130,1139,
&end
#
# 74 TYR HA 75 GLN HN 2.80 (# 876:10 Unique 2.24, 2.41 A)
&rst
ixpk= 876, nxpk= 10, iat=1124,1143, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 75 GLN HA 75 GLN HN 3.50 (# 877:10 Unique 2.87, 2.88 A)
&rst
ixpk= 877, nxpk= 10, iat=1145,1143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 ILE HA 75 GLN HN 4.50 (# 878:10 Unique 3.49, 3.87 A)
&rst
ixpk= 878, nxpk= 10, iat= 241,1143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 TYR HB+ 75 GLN HN 2.80 (# 879:10 Unique 2.07, 3.04 A)
&rst
ixpk= 879, nxpk= 10, iat= -1,1143, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1126,1127,
&end
#
# 75 GLN HG+ 75 GLN HN 3.50 (# 881:10 Unique 2.30, 3.26 A)
&rst
ixpk= 881, nxpk= 10, iat= -1,1143, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1150,1151,
&end
#
# 75 GLN HB+ 75 GLN HN 4.50 (# 882:10 Unique 3.26, 3.71 A)
&rst
ixpk= 882, nxpk= 10, iat= -1,1143, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1147,1148,
&end
#
# 14 ILE QG2 75 GLN HN 3.50 (# 883:10 Unique 3.22, 4.19 A)
&rst
ixpk= 883, nxpk= 10, iat= -1,1143, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 211, 212, 213,
&end
#
# 65 LEU HN 66 TYR HN 5.50 (# 884:10 Unique 2.71, 2.82 A)
&rst
ixpk= 884, nxpk= 10, iat= 992,1011, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 ASP HN 66 TYR HN 3.50 (# 885:10 Unique 2.68, 2.76 A)
&rst
ixpk= 885, nxpk= 10, iat=1032,1011, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 TYR HA 66 TYR HN 3.50 (# 886:10 Unique 2.73, 2.78 A)
&rst
ixpk= 886, nxpk= 10, iat=1013,1011, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:887 0 AMB 10-1:887 3.50 (# 887:10 Double Ambig)
&rst
ixpk= 887, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1293,1294,1015,1016,
igr2=1310,1011,
&end
#
# 66 TYR HB+ 66 TYR HN 3.50 (# 888:10 Unique 2.09, 3.04 A)
&rst
ixpk= 888, nxpk= 10, iat= -1,1011, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1015,1016,
&end
#
# 65 LEU HB- 66 TYR HN 3.50 (# 889:10 Unique 2.49, 3.22 A)
&rst
ixpk= 889, nxpk= 10, iat= -1,1011, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 996, 997,
&end
#
# 0 AMB 10-2:890 66 TYR HN 3.50 (# 890:10 Single Ambig)
&rst
ixpk= 890, nxpk= 10, iat= -1,1011, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 977, 978, 996, 997,
&end
#
# 65 LEU HG 66 TYR HN 5.50 (# 891:10 Unique 4.96, 5.14 A)
&rst
ixpk= 891, nxpk= 10, iat= 999,1011, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 LEU MDY 66 TYR HN 5.50 (# 892:10 Unique 2.30, 5.05 A)
&rst
ixpk= 892, nxpk= 10, iat= -1,1011, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 982, 983, 984, 986, 987, 988,
&end
#
# 66 TYR HD 66 TYR HN 5.50 (# 893:10 Unique 1.81, 3.47 A)
&rst
ixpk= 893, nxpk= 10, iat= -1,1011, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1019,1028,
&end
#
# 65 LEU HA 66 TYR HN 5.50 (# 894:10 Unique 3.46, 3.50 A)
&rst
ixpk= 894, nxpk= 10, iat= 994,1011, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 LEU MDX 66 TYR HN 5.50 (# 895:10 Unique 2.30, 5.05 A)
&rst
ixpk= 895, nxpk= 10, iat= -1,1011, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 982, 983, 984, 986, 987, 988,
&end
#
# 92 ILE HN 93 ILE HN 3.50 (# 896:10 Unique 2.73, 2.90 A)
&rst
ixpk= 896, nxpk= 10, iat=1412,1431, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 GLN HN 93 ILE HN 3.50 (# 897:10 Unique 2.63, 2.70 A)
&rst
ixpk= 897, nxpk= 10, iat=1450,1431, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 SER HA 93 ILE HN 4.50 (# 898:10 Unique 3.60, 3.85 A)
&rst
ixpk= 898, nxpk= 10, iat=1381,1431, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:899 93 ILE HN 4.50 (# 899:10 Single Ambig)
&rst
ixpk= 899, nxpk= 10, iat= -1,1431, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1370,1383,1384,
&end
#
# 93 ILE HA 93 ILE HN 3.50 (# 900:10 Unique 2.78, 2.82 A)
&rst
ixpk= 900, nxpk= 10, iat=1433,1431, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 ILE HA 93 ILE HN 4.50 (# 901:10 Unique 3.55, 3.56 A)
&rst
ixpk= 901, nxpk= 10, iat=1414,1431, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 GLN HB+ 93 ILE HN 5.50 (# 902:10 Unique 4.57, 5.43 A)
&rst
ixpk= 902, nxpk= 10, iat= -1,1431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1454,1455,
&end
#
# 93 ILE HB 93 ILE HN 2.80 (# 903:10 Unique 2.52, 2.62 A)
&rst
ixpk= 903, nxpk= 10, iat=1435,1431, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 93 ILE HG1- 93 ILE HN 3.50 (# 904:10 Unique 1.91, 2.73 A)
&rst
ixpk= 904, nxpk= 10, iat= -1,1431, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1441,1442,
&end
#
# 93 ILE HG1+ 93 ILE HN 3.50 (# 905:10 Unique 1.91, 2.73 A)
&rst
ixpk= 905, nxpk= 10, iat= -1,1431, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1441,1442,
&end
#
# 0 AMB 10-2:906 93 ILE HN 3.50 (# 906:10 Single Ambig)
&rst
ixpk= 906, nxpk= 10, iat= -1,1431, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1425,1426,1427,1437,1438,1439,
&end
#
# 93 ILE QD1 93 ILE HN 3.50 (# 907:10 Unique 2.32, 3.91 A)
&rst
ixpk= 907, nxpk= 10, iat= -1,1431, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1444,1445,1446,
&end
#
# 92 ILE QG2 93 ILE HN 3.50 (# 908:10 Unique 2.63, 3.92 A)
&rst
ixpk= 908, nxpk= 10, iat= -1,1431, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1418,1419,1420,
&end
#
# 122 TYR HN 121 ARG HN 3.50 (# 909:10 Unique 2.40, 2.67 A)
&rst
ixpk= 909, nxpk= 10, iat=1907,1883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 ASN HA 121 ARG HN 4.50 (# 910:10 Unique 3.07, 3.24 A)
&rst
ixpk= 910, nxpk= 10, iat=1837,1883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 120 LEU HB- 121 ARG HN 3.50 (# 911:10 Unique 2.34, 3.26 A)
&rst
ixpk= 911, nxpk= 10, iat= -1,1883, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1868,1869,
&end
#
# 121 ARG HB+ 121 ARG HN 3.50 (# 912:10 Unique 2.07, 2.74 A)
&rst
ixpk= 912, nxpk= 10, iat= -1,1883, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1887,1888,
&end
#
# 0 AMB 10-2:913 121 ARG HN 4.50 (# 913:10 Single Ambig)
&rst
ixpk= 913, nxpk= 10, iat= -1,1883, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1871,1825,1826,1827,1829,1830,1831,
&end
#
# 121 ARG HB- 121 ARG HN 2.80 (# 914:10 Unique 2.07, 2.74 A)
&rst
ixpk= 914, nxpk= 10, iat= -1,1883, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1887,1888,
&end
#
# 0 AMB 10-2:915 121 ARG HN 4.50 (# 915:10 Single Ambig)
&rst
ixpk= 915, nxpk= 10, iat= -1,1883, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 195, 196, 197, 199, 200, 201,1344,1345,1346,1348,
1349,1350,
&end
#
# 120 LEU MDY 121 ARG HN 5.50 (# 916:10 Unique 4.26, 5.28 A)
&rst
ixpk= 916, nxpk= 10, iat= -1,1883, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 120 LEU HN 121 ARG HN 3.50 (# 917:10 Unique 2.19, 2.30 A)
&rst
ixpk= 917, nxpk= 10, iat=1864,1883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:918 121 ARG HN 3.50 (# 918:10 Single Ambig)
&rst
ixpk= 918, nxpk= 10, iat= -1,1883, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 445, 446, 447,1418,1419,1420,
&end
#
# 12 ASP HN 11 GLY HN 3.50 (# 919:10 Unique 2.03, 2.56 A)
&rst
ixpk= 919, nxpk= 10, iat= 174, 167, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 27 TYR HD 11 GLY HN 4.50 (# 920:10 Unique 2.87, 5.02 A)
&rst
ixpk= 920, nxpk= 10, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 459, 468,
&end
#
# 28 VAL HA 11 GLY HN 3.50 (# 921:10 Unique 2.08, 2.30 A)
&rst
ixpk= 921, nxpk= 10, iat= 474, 167, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 GLY HA- 11 GLY HN 3.50 (# 922:10 Unique 2.29, 2.58 A)
&rst
ixpk= 922, nxpk= 10, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 169, 170,
&end
#
# 10 PRO HA 11 GLY HN 2.80 (# 923:10 Unique 2.16, 2.21 A)
&rst
ixpk= 923, nxpk= 10, iat= 163, 167, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 11 GLY HA+ 11 GLY HN 3.50 (# 924:10 Unique 2.29, 2.58 A)
&rst
ixpk= 924, nxpk= 10, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 169, 170,
&end
#
# 10 PRO HB- 11 GLY HN 4.50 (# 925:10 Unique 2.85, 3.51 A)
&rst
ixpk= 925, nxpk= 10, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 160, 161,
&end
#
# 0 AMB 10-2:926 11 GLY HN 5.50 (# 926:10 Single Ambig)
&rst
ixpk= 926, nxpk= 10, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 135, 136, 124, 125,
&end
#
# 0 AMB 10-2:927 11 GLY HN 4.50 (# 927:10 Single Ambig)
&rst
ixpk= 927, nxpk= 10, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1425,1426,1427,1437,1438,1439,
&end
#
# 93 ILE QD1 11 GLY HN 3.50 (# 928:10 Unique 2.07, 4.09 A)
&rst
ixpk= 928, nxpk= 10, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1444,1445,1446,
&end
#
# 81 ASP HB+ 80 HIS HN 5.50 (# 930:10 Unique 3.92, 5.00 A)
&rst
ixpk= 930, nxpk= 10, iat= -1,1226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1247,1248,
&end
#
# 79 LYS HG- 80 HIS HN 5.50 (# 931:10 Unique 3.33, 4.89 A)
&rst
ixpk= 931, nxpk= 10, iat= -1,1226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1211,1212,
&end
#
# 83 LYS HG+ 80 HIS HN 5.50 (# 932:10 Unique 5.26, 6.28 A)
&rst
ixpk= 932, nxpk= 10, iat= -1,1226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1274,1275,
&end
#
# 81 ASP HN 80 HIS HN 2.80 (# 933:10 Unique 2.58, 2.87 A)
&rst
ixpk= 933, nxpk= 10, iat=1243,1226, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 80 HIS HD2 80 HIS HN 3.50 (# 934:10 Unique 2.93, 3.38 A)
&rst
ixpk= 934, nxpk= 10, iat=1239,1226, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 80 HIS HA 80 HIS HN 3.50 (# 935:10 Unique 2.28, 2.58 A)
&rst
ixpk= 935, nxpk= 10, iat=1228,1226, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 LYS HA 80 HIS HN 4.50 (# 937:10 Unique 2.15, 2.79 A)
&rst
ixpk= 937, nxpk= 10, iat=1206,1226, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 HIS HB- 80 HIS HN 3.50 (# 938:10 Unique 2.52, 3.52 A)
&rst
ixpk= 938, nxpk= 10, iat= -1,1226, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1230,1231,
&end
#
# 80 HIS HB+ 80 HIS HN 3.50 (# 939:10 Unique 2.52, 3.52 A)
&rst
ixpk= 939, nxpk= 10, iat= -1,1226, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1230,1231,
&end
#
# 79 LYS HB- 80 HIS HN 3.50 (# 940:10 Unique 1.79, 3.33 A)
&rst
ixpk= 940, nxpk= 10, iat= -1,1226, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1208,1209,
&end
#
# 79 LYS HB+ 80 HIS HN 3.50 (# 941:10 Unique 1.79, 3.33 A)
&rst
ixpk= 941, nxpk= 10, iat= -1,1226, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1208,1209,
&end
#
# 99 LEU HA 102 GLN HE2+ 3.50 (# 944:10 Unique 1.97, 3.05 A)
&rst
ixpk= 944, nxpk= 10, iat=1533, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1585,1586,
&end
#
# 102 GLN HB+ 102 GLN HE2+ 5.50 (# 945:10 Unique 2.18, 4.12 A)
&rst
ixpk= 945, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1577,1578,
igr2=1585,1586,
&end
#
# 0 AMB 10-2:946 0 AMB 10-1:946 4.50 (# 946:10 Double Ambig)
&rst
ixpk= 946, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 904, 905, 906, 908, 909, 910,1540,1541,1542,1544,
1545,1546,
igr2=1585,1586,1585,1586,
&end
#
# 99 LEU HA 102 GLN HE2- 4.50 (# 948:10 Unique 1.97, 3.05 A)
&rst
ixpk= 948, nxpk= 10, iat=1533, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1585,1586,
&end
#
# 0 AMB 10-2:949 102 GLN HE2- 3.50 (# 949:10 Single Ambig)
&rst
ixpk= 949, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1580,1581, 902,
igr2=1585,1586,
&end
#
# 0 AMB 10-2:950 102 GLN HE2- 3.50 (# 950:10 Single Ambig)
&rst
ixpk= 950, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 904, 905, 906, 908, 909, 910,1540,1541,1542,1544,
1545,1546,
igr2=1585,1586,
&end
#
# 98 GLU HN 97 GLU HN 3.50 (# 951:10 Unique 2.37, 2.48 A)
&rst
ixpk= 951, nxpk= 10, iat=1516,1501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 GLU HA 97 GLU HN 3.50 (# 952:10 Unique 2.83, 2.87 A)
&rst
ixpk= 952, nxpk= 10, iat=1503,1501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 97 GLU HG- 97 GLU HN 3.50 (# 953:10 Unique 2.05, 2.73 A)
&rst
ixpk= 953, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1508,1509,
&end
#
# 97 GLU HG+ 97 GLU HN 2.80 (# 954:10 Unique 2.05, 2.73 A)
&rst
ixpk= 954, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1508,1509,
&end
#
# 97 GLU HB+ 97 GLU HN 2.80 (# 955:10 Unique 2.47, 3.09 A)
&rst
ixpk= 955, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1505,1506,
&end
#
# 96 ALA MB 97 GLU HN 2.80 (# 956:10 Unique 2.53, 3.29 A)
&rst
ixpk= 956, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1495,1496,1497,
&end
#
# 0 AMB 10-2:957 97 GLU HN 4.50 (# 957:10 Single Ambig)
&rst
ixpk= 957, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1437,1438,1439,1540,1541,1542,1544,1545,1546,
&end
#
# 0 AMB 10-2:958 97 GLU HN 4.50 (# 958:10 Single Ambig)
&rst
ixpk= 958, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 557, 558, 559, 561, 562, 563, 478, 479, 480, 482,
483, 484,
&end
#
# 93 ILE HA 97 GLU HN 5.50 (# 959:10 Unique 3.92, 4.01 A)
&rst
ixpk= 959, nxpk= 10, iat=1433,1501, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 VAL MGX 97 GLU HN 5.50 (# 960:10 Unique 4.47, 6.41 A)
&rst
ixpk= 960, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1556,1557,1558,1560,1561,1562,
&end
#
# 56 ASP HN 55 THR HN 4.50 (# 961:10 Unique 2.27, 3.79 A)
&rst
ixpk= 961, nxpk= 10, iat= 835, 821, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 54 LEU HN 55 THR HN 4.50 (# 962:10 Unique 1.90, 3.38 A)
&rst
ixpk= 962, nxpk= 10, iat= 802, 821, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 56 ASP HA 55 THR HN 4.50 (# 963:10 Unique 4.49, 4.52 A)
&rst
ixpk= 963, nxpk= 10, iat= 837, 821, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:964 55 THR HN 2.80 (# 964:10 Single Ambig)
&rst
ixpk= 964, nxpk= 10, iat= -1, 821, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 804, 823,
&end
#
# 55 THR HB 55 THR HN 4.50 (# 965:10 Unique 3.23, 3.74 A)
&rst
ixpk= 965, nxpk= 10, iat= 825, 821, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:966 55 THR HN 3.50 (# 966:10 Single Ambig)
&rst
ixpk= 966, nxpk= 10, iat= -1, 821, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 806, 807, 809,
&end
#
# 55 THR MG2 55 THR HN 4.50 (# 967:10 Unique 2.72, 4.28 A)
&rst
ixpk= 967, nxpk= 10, iat= -1, 821, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 827, 828, 829,
&end
#
# 107 LYS HN 112 ASN HD2+ 3.50 (# 968:10 Unique 1.87, 3.32 A)
&rst
ixpk= 968, nxpk= 10, iat=1661, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1751,1752,
&end
#
# 106 TYR HD 112 ASN HD2+ 4.50 (# 970:10 Unique 1.93, 4.39 A)
&rst
ixpk= 970, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1648,1657,
igr2=1751,1752,
&end
#
# 112 ASN HB- 112 ASN HD2+ 3.50 (# 971:10 Unique 2.12, 3.11 A)
&rst
ixpk= 971, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1746,1747,
igr2=1751,1752,
&end
#
# 106 TYR HB+ 112 ASN HD2+ 5.50 (# 972:10 Unique 1.93, 3.50 A)
&rst
ixpk= 972, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1644,1645,
igr2=1751,1752,
&end
#
# 112 ASN HB+ 112 ASN HD2+ 3.50 (# 973:10 Unique 2.12, 3.11 A)
&rst
ixpk= 973, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1746,1747,
igr2=1751,1752,
&end
#
# 107 LYS HB+ 112 ASN HD2+ 3.50 (# 974:10 Unique 2.99, 4.18 A)
&rst
ixpk= 974, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1665,1666,
igr2=1751,1752,
&end
#
# 109 THR MG2 112 ASN HD2+ 5.50 (# 975:10 Unique 1.94, 4.70 A)
&rst
ixpk= 975, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1708,1709,1710,
igr2=1751,1752,
&end
#
# 0 AMB 10-2:976 0 AMB 10-1:976 5.50 (# 976:10 Double Ambig)
&rst
ixpk= 976, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1706,1704,
igr2=1751,1752,1751,1752,
&end
#
# 0 AMB 10-2:977 0 AMB 10-1:977 5.50 (# 977:10 Double Ambig)
&rst
ixpk= 977, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1685,1663,
igr2=1751,1752,1751,1752,
&end
#
# 107 LYS HN 112 ASN HD2- 3.50 (# 979:10 Unique 1.87, 3.32 A)
&rst
ixpk= 979, nxpk= 10, iat=1661, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1751,1752,
&end
#
# 109 THR HN 112 ASN HD2- 5.50 (# 980:10 Unique 1.86, 3.00 A)
&rst
ixpk= 980, nxpk= 10, iat=1702, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1751,1752,
&end
#
# 0 AMB 10-2:983 112 ASN HD2- 5.50 (# 983:10 Single Ambig)
&rst
ixpk= 983, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1642,1704,
igr2=1751,1752,
&end
#
# 0 AMB 10-2:984 112 ASN HD2- 5.50 (# 984:10 Single Ambig)
&rst
ixpk= 984, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1685,1663,
igr2=1751,1752,
&end
#
# 112 ASN HB- 112 ASN HD2- 3.50 (# 985:10 Unique 2.12, 3.11 A)
&rst
ixpk= 985, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1746,1747,
igr2=1751,1752,
&end
#
# 106 TYR HB+ 112 ASN HD2- 4.50 (# 986:10 Unique 1.93, 3.50 A)
&rst
ixpk= 986, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1644,1645,
igr2=1751,1752,
&end
#
# 112 ASN HB+ 112 ASN HD2- 3.50 (# 987:10 Unique 2.12, 3.11 A)
&rst
ixpk= 987, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1746,1747,
igr2=1751,1752,
&end
#
# 107 LYS HB+ 112 ASN HD2- 3.50 (# 988:10 Unique 2.99, 4.18 A)
&rst
ixpk= 988, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1665,1666,
igr2=1751,1752,
&end
#
# 109 THR MG2 112 ASN HD2- 4.50 (# 989:10 Unique 1.94, 4.70 A)
&rst
ixpk= 989, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1708,1709,1710,
igr2=1751,1752,
&end
#
# 21 TYR HN 20 PHE HN 2.80 (# 990:10 Unique 2.09, 2.28 A)
&rst
ixpk= 990, nxpk= 10, iat= 336, 316, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 19 PRO HA 20 PHE HN 3.50 (# 992:10 Unique 3.39, 3.42 A)
&rst
ixpk= 992, nxpk= 10, iat= 312, 316, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 20 PHE HB+ 20 PHE HN 3.50 (# 993:10 Unique 2.21, 2.92 A)
&rst
ixpk= 993, nxpk= 10, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 320, 321,
&end
#
# 20 PHE HB- 20 PHE HN 3.50 (# 994:10 Unique 2.21, 2.92 A)
&rst
ixpk= 994, nxpk= 10, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 320, 321,
&end
#
# 19 PRO HG+ 20 PHE HN 5.50 (# 995:10 Unique 2.45, 3.60 A)
&rst
ixpk= 995, nxpk= 10, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 306, 307,
&end
#
# 0 AMB 10-2:996 20 PHE HN 3.50 (# 996:10 Single Ambig)
&rst
ixpk= 996, nxpk= 10, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 306, 307, 309, 310,
&end
#
# 18 ARG HB+ 20 PHE HN 4.50 (# 997:10 Unique 2.10, 2.85 A)
&rst
ixpk= 997, nxpk= 10, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 282, 283,
&end
#
# 0 AMB 10-2:998 20 PHE HN 3.50 (# 998:10 Single Ambig)
&rst
ixpk= 998, nxpk= 10, iat= -1, 316, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 309, 310, 285, 286,
&end
#
# 95 ARG HA 94 GLN HE2+ 5.50 (# 1000:10 Unique 2.64, 5.56 A)
&rst
ixpk= 1000, nxpk= 10, iat=1469, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1462,1463,
&end
#
# 0 AMB 10-2:1001 0 AMB 10-1:1001 3.50 (# 1001:10 Double Ambig)
&rst
ixpk= 1001, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1457,1458,1523,1524,
igr2=1462,1463,1462,1463,
&end
#
# 15 GLU HB- 75 GLN HE2- 5.50 (# 1004:10 Unique 1.94, 4.38 A)
&rst
ixpk= 1004, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 228, 229,
igr2=1155,1156,
&end
#
# 77 ASN HD2- 75 GLN HE2- 5.50 (# 1005:10 Unique 2.73, 6.27 A)
&rst
ixpk= 1005, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1185,1186,
igr2=1155,1156,
&end
#
# 17 PHE HD 75 GLN HE2- 3.50 (# 1006:10 Unique 2.19, 5.04 A)
&rst
ixpk= 1006, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 266, 274,
igr2=1155,1156,
&end
#
# 77 ASN HB+ 75 GLN HE2- 4.50 (# 1009:10 Unique 1.95, 4.76 A)
&rst
ixpk= 1009, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1180,1181,
igr2=1155,1156,
&end
#
# 75 GLN HG+ 75 GLN HE2- 3.50 (# 1011:10 Unique 2.12, 3.18 A)
&rst
ixpk= 1011, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1150,1151,
igr2=1155,1156,
&end
#
# 12 ASP HA 78 ASN HD2+ 4.50 (# 1012:10 Unique 1.94, 3.38 A)
&rst
ixpk= 1012, nxpk= 10, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1199,1200,
&end
#
# 78 ASN HB- 78 ASN HD2+ 3.50 (# 1013:10 Unique 2.11, 3.39 A)
&rst
ixpk= 1013, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1194,1195,
igr2=1199,1200,
&end
#
# 0 AMB 10-2:1014 0 AMB 10-1:1014 3.50 (# 1014:10 Double Ambig)
&rst
ixpk= 1014, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 190, 191,1194,1195,
igr2=1199,1200,1199,1200,
&end
#
# 76 VAL MGY 78 ASN HD2+ 3.50 (# 1015:10 Unique 2.03, 5.02 A)
&rst
ixpk= 1015, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1166,1167,1168,1170,1171,1172,
igr2=1199,1200,
&end
#
# 78 ASN HB- 78 ASN HD2- 3.50 (# 1016:10 Unique 2.11, 3.39 A)
&rst
ixpk= 1016, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1194,1195,
igr2=1199,1200,
&end
#
# 12 ASP HA 78 ASN HD2- 3.50 (# 1017:10 Unique 1.94, 3.38 A)
&rst
ixpk= 1017, nxpk= 10, iat= 176, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1199,1200,
&end
#
# 0 AMB 10-2:1018 78 ASN HD2- 3.50 (# 1018:10 Single Ambig)
&rst
ixpk= 1018, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 190, 191,1194,1195,
igr2=1199,1200,
&end
#
# 76 VAL MGY 78 ASN HD2- 3.50 (# 1019:10 Unique 2.03, 5.02 A)
&rst
ixpk= 1019, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1166,1167,1168,1170,1171,1172,
igr2=1199,1200,
&end
#
# 77 ASN HD2- 75 GLN HE2+ 5.50 (# 1020:10 Unique 2.73, 6.27 A)
&rst
ixpk= 1020, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1185,1186,
igr2=1155,1156,
&end
#
# 17 PHE HD 75 GLN HE2+ 2.80 (# 1022:10 Unique 2.19, 5.04 A)
&rst
ixpk= 1022, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 266, 274,
igr2=1155,1156,
&end
#
# 77 ASN HB+ 75 GLN HE2+ 5.50 (# 1024:10 Unique 1.95, 4.76 A)
&rst
ixpk= 1024, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1180,1181,
igr2=1155,1156,
&end
#
# 75 GLN HG+ 75 GLN HE2+ 4.50 (# 1026:10 Unique 2.12, 3.18 A)
&rst
ixpk= 1026, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1150,1151,
igr2=1155,1156,
&end
#
# 123 GLY HN 122 TYR HN 2.80 (# 1027:10 Unique 2.09, 2.32 A)
&rst
ixpk= 1027, nxpk= 10, iat=1928,1907, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 121 ARG HN 122 TYR HN 3.50 (# 1028:10 Unique 2.40, 2.67 A)
&rst
ixpk= 1028, nxpk= 10, iat=1883,1907, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 124 VAL HN 122 TYR HN 4.50 (# 1030:10 Unique 3.88, 4.35 A)
&rst
ixpk= 1030, nxpk= 10, iat=1935,1907, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:1032 122 TYR HN 4.50 (# 1032:10 Single Ambig)
&rst
ixpk= 1032, nxpk= 10, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1915,1924,1864,
&end
#
# 122 TYR HA 122 TYR HN 3.50 (# 1033:10 Unique 2.91, 2.94 A)
&rst
ixpk= 1033, nxpk= 10, iat=1909,1907, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 ASN HA 122 TYR HN 5.50 (# 1034:10 Unique 3.60, 3.78 A)
&rst
ixpk= 1034, nxpk= 10, iat=1837,1907, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1035 122 TYR HN 3.50 (# 1035:10 Single Ambig)
&rst
ixpk= 1035, nxpk= 10, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1885,1866,
&end
#
# 119 GLU HA 122 TYR HN 4.50 (# 1036:10 Unique 3.72, 3.98 A)
&rst
ixpk= 1036, nxpk= 10, iat=1851,1907, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 122 TYR HB- 122 TYR HN 3.50 (# 1037:10 Unique 2.31, 2.92 A)
&rst
ixpk= 1037, nxpk= 10, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1911,1912,
&end
#
# 0 AMB 10-2:1038 122 TYR HN 3.50 (# 1038:10 Single Ambig)
&rst
ixpk= 1038, nxpk= 10, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1911,1912,1893,1894,
&end
#
# 121 ARG HB+ 122 TYR HN 3.50 (# 1039:10 Unique 2.36, 3.34 A)
&rst
ixpk= 1039, nxpk= 10, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1887,1888,
&end
#
# 121 ARG HB- 122 TYR HN 3.50 (# 1040:10 Unique 2.36, 3.34 A)
&rst
ixpk= 1040, nxpk= 10, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1887,1888,
&end
#
# 87 LEU MDY 122 TYR HN 5.50 (# 1041:10 Unique 2.80, 5.96 A)
&rst
ixpk= 1041, nxpk= 10, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1344,1345,1346,1348,1349,1350,
&end
#
# 0 AMB 10-2:1042 33 VAL HN 3.50 (# 1042:10 Single Ambig)
&rst
ixpk= 1042, nxpk= 10, iat= -1, 535, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 958, 992,
&end
#
# 32 TYR HD 33 VAL HN 3.50 (# 1043:10 Unique 3.02, 4.68 A)
&rst
ixpk= 1043, nxpk= 10, iat= -1, 535, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 522, 531,
&end
#
# 33 VAL HA 33 VAL HN 4.50 (# 1044:10 Unique 2.93, 2.94 A)
&rst
ixpk= 1044, nxpk= 10, iat= 537, 535, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 TYR HA 33 VAL HN 2.80 (# 1045:10 Unique 2.14, 2.30 A)
&rst
ixpk= 1045, nxpk= 10, iat= 516, 535, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 64 LEU HA 33 VAL HN 3.50 (# 1046:10 Unique 3.54, 3.64 A)
&rst
ixpk= 1046, nxpk= 10, iat= 975, 535, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 TYR HB- 33 VAL HN 3.50 (# 1047:10 Unique 1.80, 3.48 A)
&rst
ixpk= 1047, nxpk= 10, iat= -1, 535, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 518, 519,
&end
#
# 32 TYR HB+ 33 VAL HN 3.50 (# 1048:10 Unique 1.80, 3.48 A)
&rst
ixpk= 1048, nxpk= 10, iat= -1, 535, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 518, 519,
&end
#
# 0 AMB 10-2:1049 33 VAL HN 4.50 (# 1049:10 Single Ambig)
&rst
ixpk= 1049, nxpk= 10, iat= -1, 535, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 996, 997, 977, 978,
&end
#
# 33 VAL MGX 33 VAL HN 3.50 (# 1050:10 Unique 2.10, 3.48 A)
&rst
ixpk= 1050, nxpk= 10, iat= -1, 535, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 541, 542, 543, 545, 546, 547,
&end
#
# 28 VAL MGY 33 VAL HN 4.50 (# 1051:10 Unique 3.83, 5.44 A)
&rst
ixpk= 1051, nxpk= 10, iat= -1, 535, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 478, 479, 480, 482, 483, 484,
&end
#
# 0 AMB 10-2:1052 33 VAL HN 2.80 (# 1052:10 Single Ambig)
&rst
ixpk= 1052, nxpk= 10, iat= -1, 535, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 541, 542, 543, 545, 546, 547,1050,1051,1052,1054,
1055,1056,
&end
#
# 64 LEU MDX 33 VAL HN 5.50 (# 1053:10 Unique 4.53, 7.09 A)
&rst
ixpk= 1053, nxpk= 10, iat= -1, 535, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 982, 983, 984, 986, 987, 988,
&end
#
# 33 VAL HB 33 VAL HN 5.50 (# 1054:10 Unique 3.78, 3.84 A)
&rst
ixpk= 1054, nxpk= 10, iat= 539, 535, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 75 GLN HE2- 77 ASN HD2- 5.50 (# 1055:10 Unique 2.73, 6.27 A)
&rst
ixpk= 1055, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1155,1156,
igr2=1185,1186,
&end
#
# 24 TRP HZ2 77 ASN HD2- 5.50 (# 1056:10 Unique 2.98, 4.40 A)
&rst
ixpk= 1056, nxpk= 10, iat= 411, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1185,1186,
&end
#
# 24 TRP HH2 77 ASN HD2- 3.50 (# 1057:10 Unique 1.96, 3.39 A)
&rst
ixpk= 1057, nxpk= 10, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1185,1186,
&end
#
# 77 ASN HB- 77 ASN HD2- 3.50 (# 1059:10 Unique 2.12, 3.21 A)
&rst
ixpk= 1059, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1180,1181,
igr2=1185,1186,
&end
#
# 77 ASN HB+ 77 ASN HD2- 3.50 (# 1060:10 Unique 2.12, 3.21 A)
&rst
ixpk= 1060, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1180,1181,
igr2=1185,1186,
&end
#
# 0 AMB 10-2:1061 77 ASN HD2- 4.50 (# 1061:10 Single Ambig)
&rst
ixpk= 1061, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 228, 229,1214,1215,
igr2=1185,1186,
&end
#
# 24 TRP HH2 77 ASN HD2+ 4.50 (# 1063:10 Unique 1.96, 3.39 A)
&rst
ixpk= 1063, nxpk= 10, iat= 413, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1185,1186,
&end
#
# 77 ASN HB- 77 ASN HD2+ 4.50 (# 1064:10 Unique 2.12, 3.21 A)
&rst
ixpk= 1064, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1180,1181,
igr2=1185,1186,
&end
#
# 79 LYS HE+ 77 ASN HD2+ 4.50 (# 1065:10 Unique 1.97, 5.11 A)
&rst
ixpk= 1065, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1217,1218,
igr2=1185,1186,
&end
#
# 77 ASN HB+ 77 ASN HD2+ 3.50 (# 1066:10 Unique 2.12, 3.21 A)
&rst
ixpk= 1066, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1180,1181,
igr2=1185,1186,
&end
#
# 79 LYS HD+ 77 ASN HD2+ 3.50 (# 1067:10 Unique 2.68, 4.33 A)
&rst
ixpk= 1067, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1214,1215,
igr2=1185,1186,
&end
#
# 45 ALA HA 46 GLY HN 3.50 (# 1069:10 Unique 2.15, 2.47 A)
&rst
ixpk= 1069, nxpk= 10, iat= 702, 710, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 GLY HA+ 46 GLY HN 3.50 (# 1070:10 Unique 2.30, 2.71 A)
&rst
ixpk= 1070, nxpk= 10, iat= -1, 710, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 712, 713,
&end
#
# 118 ASN HN 117 VAL HN 3.50 (# 1071:10 Unique 2.57, 2.75 A)
&rst
ixpk= 1071, nxpk= 10, iat=1835,1819, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 116 PHE HN 117 VAL HN 3.50 (# 1072:10 Unique 2.67, 2.84 A)
&rst
ixpk= 1072, nxpk= 10, iat=1799,1819, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 116 PHE HD 117 VAL HN 3.50 (# 1073:10 Unique 2.51, 3.74 A)
&rst
ixpk= 1073, nxpk= 10, iat= -1,1819, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1807,1815,
&end
#
# 116 PHE HA 117 VAL HN 3.50 (# 1074:10 Unique 3.55, 3.57 A)
&rst
ixpk= 1074, nxpk= 10, iat=1801,1819, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 117 VAL HA 117 VAL HN 3.50 (# 1075:10 Unique 2.75, 2.77 A)
&rst
ixpk= 1075, nxpk= 10, iat=1821,1819, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 116 PHE HB- 117 VAL HN 3.50 (# 1076:10 Unique 2.36, 3.19 A)
&rst
ixpk= 1076, nxpk= 10, iat= -1,1819, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1803,1804,
&end
#
# 116 PHE HB+ 117 VAL HN 3.50 (# 1077:10 Unique 2.36, 3.19 A)
&rst
ixpk= 1077, nxpk= 10, iat= -1,1819, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1803,1804,
&end
#
# 117 VAL HB 117 VAL HN 5.50 (# 1078:10 Unique 2.59, 3.51 A)
&rst
ixpk= 1078, nxpk= 10, iat=1823,1819, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 117 VAL MGX 117 VAL HN 2.80 (# 1079:10 Unique 1.93, 3.09 A)
&rst
ixpk= 1079, nxpk= 10, iat= -1,1819, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1825,1826,1827,1829,1830,1831,
&end
#
# 117 VAL MGY 117 VAL HN 3.50 (# 1080:10 Unique 1.93, 3.09 A)
&rst
ixpk= 1080, nxpk= 10, iat= -1,1819, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1825,1826,1827,1829,1830,1831,
&end
#
# 122 TYR HN 123 GLY HN 2.80 (# 1081:10 Unique 2.09, 2.32 A)
&rst
ixpk= 1081, nxpk= 10, iat=1907,1928, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 121 ARG HN 123 GLY HN 5.50 (# 1082:10 Unique 4.11, 4.35 A)
&rst
ixpk= 1082, nxpk= 10, iat=1883,1928, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 122 TYR HA 123 GLY HN 4.50 (# 1083:10 Unique 3.56, 3.57 A)
&rst
ixpk= 1083, nxpk= 10, iat=1909,1928, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 123 GLY HA- 123 GLY HN 2.80 (# 1084:10 Unique 2.51, 2.79 A)
&rst
ixpk= 1084, nxpk= 10, iat= -1,1928, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1930,1931,
&end
#
# 119 GLU HA 123 GLY HN 3.50 (# 1085:10 Unique 2.36, 2.65 A)
&rst
ixpk= 1085, nxpk= 10, iat=1851,1928, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 122 TYR HB- 123 GLY HN 5.50 (# 1086:10 Unique 2.02, 3.00 A)
&rst
ixpk= 1086, nxpk= 10, iat= -1,1928, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1911,1912,
&end
#
# 122 TYR HB+ 123 GLY HN 4.50 (# 1087:10 Unique 2.02, 3.00 A)
&rst
ixpk= 1087, nxpk= 10, iat= -1,1928, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1911,1912,
&end
#
# 0 AMB 10-2:1088 123 GLY HN 5.50 (# 1088:10 Single Ambig)
&rst
ixpk= 1088, nxpk= 10, iat= -1,1928, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1856,1857,1853,1854,
&end
#
# 0 AMB 10-2:1089 123 GLY HN 5.50 (# 1089:10 Single Ambig)
&rst
ixpk= 1089, nxpk= 10, iat= -1,1928, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1887,1888,1342,1339,1340,
&end
#
# 87 LEU MDX 123 GLY HN 5.50 (# 1090:10 Unique 3.40, 5.77 A)
&rst
ixpk= 1090, nxpk= 10, iat= -1,1928, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1344,1345,1346,1348,1349,1350,
&end
#
# 124 VAL HN 123 GLY HN 3.50 (# 1091:10 Unique 1.89, 2.24 A)
&rst
ixpk= 1091, nxpk= 10, iat=1935,1928, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 123 GLY HA+ 123 GLY HN 2.80 (# 1092:10 Unique 2.51, 2.79 A)
&rst
ixpk= 1092, nxpk= 10, iat= -1,1928, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1930,1931,
&end
#
# 87 LEU MDY 123 GLY HN 3.50 (# 1093:10 Unique 3.40, 5.77 A)
&rst
ixpk= 1093, nxpk= 10, iat= -1,1928, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1344,1345,1346,1348,1349,1350,
&end
#
# 114 GLU HG- 118 ASN HD2+ 3.50 (# 1094:10 Unique 2.44, 3.85 A)
&rst
ixpk= 1094, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1774,1775,
igr2=1844,1845,
&end
#
# 118 ASN HN 118 ASN HD2+ 4.50 (# 1095:10 Unique 2.40, 3.43 A)
&rst
ixpk= 1095, nxpk= 10, iat=1835, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1844,1845,
&end
#
# 115 HIS HA 118 ASN HD2+ 4.50 (# 1096:10 Unique 4.15, 4.88 A)
&rst
ixpk= 1096, nxpk= 10, iat=1784, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1844,1845,
&end
#
# 118 ASN HB- 118 ASN HD2+ 3.50 (# 1097:10 Unique 2.66, 3.52 A)
&rst
ixpk= 1097, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1839,1840,
igr2=1844,1845,
&end
#
# 118 ASN HB+ 118 ASN HD2+ 3.50 (# 1098:10 Unique 2.66, 3.52 A)
&rst
ixpk= 1098, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1839,1840,
igr2=1844,1845,
&end
#
# 0 AMB 10-2:1099 0 AMB 10-1:1099 3.50 (# 1099:10 Double Ambig)
&rst
ixpk= 1099, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1774,1775,1887,1888,
igr2=1844,1845,1844,1845,
&end
#
# 117 VAL MGX 118 ASN HD2+ 3.50 (# 1100:10 Unique 1.93, 5.16 A)
&rst
ixpk= 1100, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1825,1826,1827,1829,1830,1831,
igr2=1844,1845,
&end
#
# 81 ASP HB+ 81 ASP HN 2.80 (# 1102:10 Unique 2.18, 2.63 A)
&rst
ixpk= 1102, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1247,1248,
&end
#
# 0 AMB 10-2:1103 0 AMB 10-1:1103 4.50 (# 1103:10 Double Ambig)
&rst
ixpk= 1103, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1013,1720,1721,
igr2=1060,1756,
&end
#
# 120 LEU HB- 120 LEU HN 2.80 (# 1104:10 Unique 2.81, 3.25 A)
&rst
ixpk= 1104, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1868,1869,
&end
#
# 64 LEU HB+ 67 ASP HN 3.50 (# 1105:10 Unique 2.55, 3.23 A)
&rst
ixpk= 1105, nxpk= 10, iat= -1,1032, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 977, 978,
&end
#
# 15 GLU HB- 75 GLN HN 5.50 (# 1106:10 Unique 3.23, 4.18 A)
&rst
ixpk= 1106, nxpk= 10, iat= -1,1143, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 228, 229,
&end
#
# 0 AMB 10-2:1107 121 ARG HN 3.50 (# 1107:10 Single Ambig)
&rst
ixpk= 1107, nxpk= 10, iat= -1,1883, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1885,1866,
&end
#
# 0 AMB 10-2:1108 0 AMB 10-1:1108 2.80 (# 1108:10 Double Ambig)
&rst
ixpk= 1108, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1580,1581, 902,
igr2=1585,1586,1585,1586,
&end
#
# 16 ILE HG1+ 16 ILE HN 2.80 (# 1109:10 Unique 1.94, 3.09 A)
&rst
ixpk= 1109, nxpk= 10, iat= -1, 239, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 249, 250,
&end
#
# 110 SER HB+ 22 ARG HN 3.50 (# 1111:10 Unique 3.39, 5.06 A)
&rst
ixpk= 1111, nxpk= 10, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1720,1721,
&end
#
# 18 ARG HD- 22 ARG HN 5.50 (# 1112:10 Unique 4.53, 6.00 A)
&rst
ixpk= 1112, nxpk= 10, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 288, 289,
&end
#
# 23 HIS HN 22 ARG HN 5.50 (# 1113:10 Unique 4.13, 4.29 A)
&rst
ixpk= 1113, nxpk= 10, iat= 381, 357, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1114 24 TRP HN 3.50 (# 1114:10 Single Ambig)
&rst
ixpk= 1114, nxpk= 10, iat= -1, 398, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1760,1761, 402, 403,
&end
#
# 117 VAL MGX 24 TRP HN 5.50 (# 1116:10 Unique 5.25, 6.76 A)
&rst
ixpk= 1116, nxpk= 10, iat= -1, 398, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1825,1826,1827,1829,1830,1831,
&end
#
# 33 VAL HA 26 ILE HN 5.50 (# 1117:10 Unique 3.90, 4.38 A)
&rst
ixpk= 1117, nxpk= 10, iat= 537, 432, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 54 LEU MDY 54 LEU HN 5.50 (# 1118:10 Unique 1.94, 4.67 A)
&rst
ixpk= 1118, nxpk= 10, iat= -1, 802, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 811, 812, 813, 815, 816, 817,
&end
#
# 53 ALA MB 54 LEU HN 4.50 (# 1119:10 Unique 2.02, 3.47 A)
&rst
ixpk= 1119, nxpk= 10, iat= -1, 802, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 796, 797, 798,
&end
#
# 0 AMB 10-2:1120 54 LEU HN 2.80 (# 1120:10 Single Ambig)
&rst
ixpk= 1120, nxpk= 10, iat= -1, 802, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 809, 806, 807,
&end
#
# 17 PHE HB+ 73 LYS HN 5.50 (# 1121:10 Unique 3.61, 5.37 A)
&rst
ixpk= 1121, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 262, 263,
&end
#
# 79 LYS HG+ 79 LYS HN 4.50 (# 1122:10 Unique 2.19, 3.44 A)
&rst
ixpk= 1122, nxpk= 10, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1211,1212,
&end
#
# 0 AMB 10-2:1124 5 ILE HN 2.80 (# 1124:10 Single Ambig)
&rst
ixpk= 1124, nxpk= 10, iat= -1, 69, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 71, 65,
&end
#
# 12 ASP HB- 13 LEU HN 5.50 (# 1126:10 Unique 2.06, 3.46 A)
&rst
ixpk= 1126, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 178, 179,
&end
#
# 13 LEU MDX 13 LEU HN 4.50 (# 1127:10 Unique 1.93, 4.31 A)
&rst
ixpk= 1127, nxpk= 10, iat= -1, 186, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 195, 196, 197, 199, 200, 201,
&end
#
# 78 ASN HB- 79 LYS HN 4.50 (# 1128:10 Unique 2.43, 3.60 A)
&rst
ixpk= 1128, nxpk= 10, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1194,1195,
&end
#
# 0 AMB 10-2:1129 0 AMB 10-1:1129 5.50 (# 1129:10 Double Ambig)
&rst
ixpk= 1129, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 741, 742, 56, 57,
igr2= 748, 69,
&end
#
# 75 GLN HB- 76 VAL HN 2.80 (# 1131:10 Unique 2.32, 3.03 A)
&rst
ixpk= 1131, nxpk= 10, iat= -1,1160, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1147,1148,
&end
#
# 78 ASN HA 13 LEU HN 5.50 (# 1132:10 Unique 2.75, 3.48 A)
&rst
ixpk= 1132, nxpk= 10, iat=1192, 186, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 LEU HA 13 LEU HN 4.50 (# 1134:10 Unique 2.79, 2.85 A)
&rst
ixpk= 1134, nxpk= 10, iat= 188, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 75 GLN HG+ 15 GLU HN 5.50 (# 1136:10 Unique 3.35, 4.82 A)
&rst
ixpk= 1136, nxpk= 10, iat= -1, 224, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1150,1151,
&end
#
# 17 PHE HN 16 ILE HN 5.50 (# 1137:10 Unique 4.00, 4.24 A)
&rst
ixpk= 1137, nxpk= 10, iat= 258, 239, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1138 17 PHE HN 5.50 (# 1138:10 Single Ambig)
&rst
ixpk= 1138, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 252, 253, 254, 228, 229,
&end
#
# 22 ARG HB- 18 ARG HN 5.50 (# 1139:10 Unique 3.10, 3.80 A)
&rst
ixpk= 1139, nxpk= 10, iat= -1, 278, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 361, 362,
&end
#
# 17 PHE HN 18 ARG HN 5.50 (# 1140:10 Unique 4.11, 4.23 A)
&rst
ixpk= 1140, nxpk= 10, iat= 258, 278, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 18 ARG HG- 23 HIS HN 5.50 (# 1143:10 Unique 3.77, 5.41 A)
&rst
ixpk= 1143, nxpk= 10, iat= -1, 381, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 285, 286,
&end
#
# 24 TRP HN 23 HIS HN 5.50 (# 1144:10 Unique 3.88, 4.24 A)
&rst
ixpk= 1144, nxpk= 10, iat= 398, 381, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1145 25 ALA HN 5.50 (# 1145:10 Single Ambig)
&rst
ixpk= 1145, nxpk= 10, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 571, 572, 367, 368,
&end
#
# 13 LEU HA 25 ALA HN 5.50 (# 1146:10 Unique 4.64, 5.12 A)
&rst
ixpk= 1146, nxpk= 10, iat= 188, 422, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 TRP HN 25 ALA HN 5.50 (# 1147:10 Unique 4.48, 4.55 A)
&rst
ixpk= 1147, nxpk= 10, iat= 398, 422, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 ILE QD1 26 ILE HN 4.50 (# 1148:10 Unique 4.73, 5.66 A)
&rst
ixpk= 1148, nxpk= 10, iat= -1, 432, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 445, 446, 447,
&end
#
# 26 ILE HN 27 TYR HN 5.50 (# 1149:10 Unique 3.93, 4.32 A)
&rst
ixpk= 1149, nxpk= 10, iat= 432, 451, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 TYR HB- 28 VAL HN 5.50 (# 1150:10 Unique 3.79, 4.20 A)
&rst
ixpk= 1150, nxpk= 10, iat= -1, 472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 455, 456,
&end
#
# 27 TYR HB+ 28 VAL HN 5.50 (# 1152:10 Unique 3.79, 4.20 A)
&rst
ixpk= 1152, nxpk= 10, iat= -1, 472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 455, 456,
&end
#
# 34 VAL HN 28 VAL HN 5.50 (# 1153:10 Unique 4.00, 4.50 A)
&rst
ixpk= 1153, nxpk= 10, iat= 551, 472, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 27 TYR HN 28 VAL HN 4.50 (# 1154:10 Unique 4.33, 4.47 A)
&rst
ixpk= 1154, nxpk= 10, iat= 451, 472, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 GLY HA+ 31 GLY HN 2.80 (# 1155:10 Unique 2.30, 2.72 A)
&rst
ixpk= 1155, nxpk= 10, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 509, 510,
&end
#
# 31 GLY HA- 31 GLY HN 2.80 (# 1156:10 Unique 2.30, 2.72 A)
&rst
ixpk= 1156, nxpk= 10, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 509, 510,
&end
#
# 30 ASP HA 31 GLY HN 3.50 (# 1157:10 Unique 2.45, 3.27 A)
&rst
ixpk= 1157, nxpk= 10, iat= 497, 507, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 TYR HN 31 GLY HN 2.80 (# 1160:10 Unique 1.86, 2.44 A)
&rst
ixpk= 1160, nxpk= 10, iat= 514, 507, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 30 ASP HB- 32 TYR HN 5.50 (# 1162:10 Unique 2.42, 3.58 A)
&rst
ixpk= 1162, nxpk= 10, iat= -1, 514, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 499, 500,
&end
#
# 64 LEU MDY 32 TYR HN 5.50 (# 1163:10 Unique 2.51, 5.71 A)
&rst
ixpk= 1163, nxpk= 10, iat= -1, 514, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 982, 983, 984, 986, 987, 988,
&end
#
# 32 TYR HN 33 VAL HN 5.50 (# 1164:10 Unique 4.08, 4.49 A)
&rst
ixpk= 1164, nxpk= 10, iat= 514, 535, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 LYS HA 33 VAL HN 5.50 (# 1165:10 Unique 3.83, 4.12 A)
&rst
ixpk= 1165, nxpk= 10, iat= 938, 535, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 36 LEU HN 35 HIS HN 5.50 (# 1166:10 Unique 4.30, 4.39 A)
&rst
ixpk= 1166, nxpk= 10, iat= 584, 567, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1167 36 LEU HN 5.50 (# 1167:10 Single Ambig)
&rst
ixpk= 1167, nxpk= 10, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 567, 914,
&end
#
# 23 HIS HE1 36 LEU HN 4.50 (# 1168:10 Unique 3.90, 4.24 A)
&rst
ixpk= 1168, nxpk= 10, iat= 391, 584, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 LEU MDX 36 LEU HN 4.50 (# 1169:10 Unique 2.85, 4.80 A)
&rst
ixpk= 1169, nxpk= 10, iat= -1, 584, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 593, 594, 595, 597, 598, 599,
&end
#
# 41 GLU HB+ 41 GLU HN 4.50 (# 1170:10 Unique 2.08, 3.21 A)
&rst
ixpk= 1170, nxpk= 10, iat= -1, 652, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 656, 657,
&end
#
# 41 GLU HB- 41 GLU HN 5.50 (# 1171:10 Unique 2.08, 3.21 A)
&rst
ixpk= 1171, nxpk= 10, iat= -1, 652, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 656, 657,
&end
#
# 40 SER HB+ 41 GLU HN 5.50 (# 1172:10 Unique 2.07, 3.03 A)
&rst
ixpk= 1172, nxpk= 10, iat= -1, 652, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 645, 646,
&end
#
# 40 SER HA 41 GLU HN 3.50 (# 1173:10 Unique 2.17, 2.73 A)
&rst
ixpk= 1173, nxpk= 10, iat= 643, 652, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 40 SER HB+ 42 VAL HN 5.50 (# 1176:10 Unique 3.18, 5.75 A)
&rst
ixpk= 1176, nxpk= 10, iat= -1, 667, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 645, 646,
&end
#
# 42 VAL HN 43 ALA HN 5.50 (# 1177:10 Unique 1.92, 3.65 A)
&rst
ixpk= 1177, nxpk= 10, iat= 667, 683, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 VAL MGY 50 VAL HN 4.50 (# 1179:10 Unique 1.95, 3.74 A)
&rst
ixpk= 1179, nxpk= 10, iat= -1, 748, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 754, 755, 756, 758, 759, 760,
&end
#
# 50 VAL HB 50 VAL HN 4.50 (# 1180:10 Unique 2.57, 3.47 A)
&rst
ixpk= 1180, nxpk= 10, iat= 752, 748, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 SER HB+ 50 VAL HN 5.50 (# 1182:10 Unique 1.98, 3.76 A)
&rst
ixpk= 1182, nxpk= 10, iat= -1, 748, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 741, 742,
&end
#
# 51 MET HB- 51 MET HN 5.50 (# 1183:10 Unique 2.14, 3.30 A)
&rst
ixpk= 1183, nxpk= 10, iat= -1, 764, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 768, 769,
&end
#
# 50 VAL HB 51 MET HN 5.50 (# 1184:10 Unique 2.06, 3.51 A)
&rst
ixpk= 1184, nxpk= 10, iat= 752, 764, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 VAL HA 51 MET HN 3.50 (# 1185:10 Unique 2.14, 2.64 A)
&rst
ixpk= 1185, nxpk= 10, iat= 750, 764, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 53 ALA MB 53 ALA HN 5.50 (# 1188:10 Unique 2.09, 3.35 A)
&rst
ixpk= 1188, nxpk= 10, iat= -1, 792, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 796, 797, 798,
&end
#
# 0 AMB 10-2:1189 53 ALA HN 5.50 (# 1189:10 Single Ambig)
&rst
ixpk= 1189, nxpk= 10, iat= -1, 792, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 783, 794,
&end
#
# 0 AMB 10-2:1191 54 LEU HN 2.80 (# 1191:10 Single Ambig)
&rst
ixpk= 1191, nxpk= 10, iat= -1, 802, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 794, 804,
&end
#
# 0 AMB 10-2:1194 55 THR HN 5.50 (# 1194:10 Single Ambig)
&rst
ixpk= 1194, nxpk= 10, iat= -1, 821, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 796, 797, 798,1668,1669,
&end
#
# 54 LEU MDX 55 THR HN 5.50 (# 1195:10 Unique 2.74, 5.25 A)
&rst
ixpk= 1195, nxpk= 10, iat= -1, 821, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 811, 812, 813, 815, 816, 817,
&end
#
# 54 LEU MDY 55 THR HN 5.50 (# 1196:10 Unique 2.74, 5.25 A)
&rst
ixpk= 1196, nxpk= 10, iat= -1, 821, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 811, 812, 813, 815, 816, 817,
&end
#
# 57 LYS HD+ 58 ALA HN 5.50 (# 1197:10 Unique 3.45, 5.59 A)
&rst
ixpk= 1197, nxpk= 10, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 857, 858,
&end
#
# 57 LYS HG- 58 ALA HN 3.50 (# 1198:10 Unique 2.14, 3.87 A)
&rst
ixpk= 1198, nxpk= 10, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 854, 855,
&end
#
# 59 ILE HA 59 ILE HN 3.50 (# 1199:10 Unique 2.90, 2.91 A)
&rst
ixpk= 1199, nxpk= 10, iat= 881, 879, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 39 PRO HA 59 ILE HN 5.50 (# 1200:10 Unique 4.59, 4.74 A)
&rst
ixpk= 1200, nxpk= 10, iat= 637, 879, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1201 59 ILE HN 5.50 (# 1201:10 Single Ambig)
&rst
ixpk= 1201, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 628, 629, 614, 615,
&end
#
# 59 ILE HN 60 VAL HN 5.50 (# 1202:10 Unique 4.33, 4.40 A)
&rst
ixpk= 1202, nxpk= 10, iat= 879, 898, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 LYS HN 60 VAL HN 5.50 (# 1203:10 Unique 4.39, 4.44 A)
&rst
ixpk= 1203, nxpk= 10, iat= 914, 898, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 VAL HA 61 LYS HN 5.50 (# 1205:10 Unique 4.25, 4.42 A)
&rst
ixpk= 1205, nxpk= 10, iat= 553, 914, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1206 62 LYS HN 4.50 (# 1206:10 Single Ambig)
&rst
ixpk= 1206, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 965, 966, 962, 963,
&end
#
# 0 AMB 10-2:1207 62 LYS HN 2.80 (# 1207:10 Single Ambig)
&rst
ixpk= 1207, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1556,1557,1558,1560,1561,1562, 557, 558, 559, 561,
562, 563,
&end
#
# 62 LYS HN 63 GLU HN 5.50 (# 1208:10 Unique 4.14, 4.24 A)
&rst
ixpk= 1208, nxpk= 10, iat= 936, 958, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 VAL MGY 63 GLU HN 5.50 (# 1209:10 Unique 5.54, 7.05 A)
&rst
ixpk= 1209, nxpk= 10, iat= -1, 958, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 478, 479, 480, 482, 483, 484,
&end
#
# 0 AMB 10-2:1210 65 LEU HN 5.50 (# 1210:10 Single Ambig)
&rst
ixpk= 1210, nxpk= 10, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 522, 531,1032,
&end
#
# 31 GLY HA+ 65 LEU HN 5.50 (# 1211:10 Unique 3.13, 4.56 A)
&rst
ixpk= 1211, nxpk= 10, iat= -1, 992, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 509, 510,
&end
#
# 64 LEU HG 65 LEU HN 5.50 (# 1212:10 Unique 3.70, 4.60 A)
&rst
ixpk= 1212, nxpk= 10, iat= 980, 992, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 68 VAL HN 66 TYR HN 5.50 (# 1213:10 Unique 3.79, 3.95 A)
&rst
ixpk= 1213, nxpk= 10, iat=1044,1011, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 LEU HA 66 TYR HN 5.50 (# 1214:10 Unique 3.69, 3.80 A)
&rst
ixpk= 1214, nxpk= 10, iat= 975,1011, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1215 85 SER HN 5.50 (# 1215:10 Single Ambig)
&rst
ixpk= 1215, nxpk= 10, iat= -1,1310, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1911,1912,1893,1894,
&end
#
# 65 LEU MDX 66 TYR HN 5.50 (# 1216:10 Unique 3.90, 5.51 A)
&rst
ixpk= 1216, nxpk= 10, iat= -1,1011, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1001,1002,1003,1005,1006,1007,
&end
#
# 64 LEU HG 66 TYR HN 5.50 (# 1217:10 Unique 4.38, 5.17 A)
&rst
ixpk= 1217, nxpk= 10, iat= 980,1011, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 LEU HA 67 ASP HN 5.50 (# 1218:10 Unique 3.70, 4.11 A)
&rst
ixpk= 1218, nxpk= 10, iat= 994,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 LEU HG 67 ASP HN 5.50 (# 1219:10 Unique 5.47, 5.59 A)
&rst
ixpk= 1219, nxpk= 10, iat= 980,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 LEU MDX 67 ASP HN 5.50 (# 1220:10 Unique 4.05, 5.70 A)
&rst
ixpk= 1220, nxpk= 10, iat= -1,1032, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 982, 983, 984, 986, 987, 988,
&end
#
# 64 LEU HN 67 ASP HN 5.50 (# 1221:10 Unique 4.58, 4.73 A)
&rst
ixpk= 1221, nxpk= 10, iat= 973,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 LEU HN 67 ASP HN 5.50 (# 1222:10 Unique 4.09, 4.44 A)
&rst
ixpk= 1222, nxpk= 10, iat= 992,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1223 0 AMB 10-1:1223 5.50 (# 1223:10 Double Ambig)
&rst
ixpk= 1223, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1032,1650,1655,
igr2=1060,1756,
&end
#
# 72 ASP HN 71 SER HN 5.50 (# 1224:10 Unique 1.84, 2.38 A)
&rst
ixpk= 1224, nxpk= 10, iat=1088,1077, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 70 GLY HA- 71 SER HN 3.50 (# 1226:10 Unique 2.14, 2.86 A)
&rst
ixpk= 1226, nxpk= 10, iat= -1,1077, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1072,1073,
&end
#
# 70 GLY HA+ 71 SER HN 5.50 (# 1227:10 Unique 2.14, 2.86 A)
&rst
ixpk= 1227, nxpk= 10, iat= -1,1077, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1072,1073,
&end
#
# 71 SER HB- 72 ASP HN 3.50 (# 1229:10 Unique 1.87, 3.71 A)
&rst
ixpk= 1229, nxpk= 10, iat= -1,1088, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1081,1082,
&end
#
# 72 ASP HB- 72 ASP HN 3.50 (# 1230:10 Unique 2.17, 3.21 A)
&rst
ixpk= 1230, nxpk= 10, iat= -1,1088, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1092,1093,
&end
#
# 72 ASP HB+ 73 LYS HN 3.50 (# 1231:10 Unique 1.92, 2.91 A)
&rst
ixpk= 1231, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1092,1093,
&end
#
# 17 PHE HB- 73 LYS HN 5.50 (# 1232:10 Unique 3.61, 5.37 A)
&rst
ixpk= 1232, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 262, 263,
&end
#
# 72 ASP HN 73 LYS HN 5.50 (# 1233:10 Unique 1.80, 4.02 A)
&rst
ixpk= 1233, nxpk= 10, iat=1088,1100, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1234 74 TYR HN 3.50 (# 1234:10 Single Ambig)
&rst
ixpk= 1234, nxpk= 10, iat= -1,1122, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1107,1108,1064,1065,1066,
&end
#
# 75 GLN HN 74 TYR HN 5.50 (# 1235:10 Unique 4.27, 4.43 A)
&rst
ixpk= 1235, nxpk= 10, iat=1143,1122, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 ASN HN 76 VAL HN 4.50 (# 1236:10 Unique 4.02, 4.26 A)
&rst
ixpk= 1236, nxpk= 10, iat=1176,1160, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 13 LEU HB+ 77 ASN HN 4.50 (# 1237:10 Unique 3.66, 4.28 A)
&rst
ixpk= 1237, nxpk= 10, iat= -1,1176, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 190, 191,
&end
#
# 76 VAL HB 77 ASN HN 5.50 (# 1238:10 Unique 4.25, 4.35 A)
&rst
ixpk= 1238, nxpk= 10, iat=1164,1176, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 ASN HB- 78 ASN HN 5.50 (# 1241:10 Unique 3.77, 4.39 A)
&rst
ixpk= 1241, nxpk= 10, iat= -1,1190, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1180,1181,
&end
#
# 77 ASN HB+ 78 ASN HN 4.50 (# 1242:10 Unique 3.77, 4.39 A)
&rst
ixpk= 1242, nxpk= 10, iat= -1,1190, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1180,1181,
&end
#
# 79 LYS HA 81 ASP HN 5.50 (# 1245:10 Unique 4.11, 4.45 A)
&rst
ixpk= 1245, nxpk= 10, iat=1206,1243, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1247 82 ASP HN 3.50 (# 1247:10 Single Ambig)
&rst
ixpk= 1247, nxpk= 10, iat= -1,1255, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1230,1231,1293,1294,
&end
#
# 83 LYS HD+ 83 LYS HN 4.50 (# 1249:10 Unique 3.62, 4.46 A)
&rst
ixpk= 1249, nxpk= 10, iat= -1,1267, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1277,1278,
&end
#
# 83 LYS HG+ 83 LYS HN 3.50 (# 1250:10 Unique 1.88, 2.85 A)
&rst
ixpk= 1250, nxpk= 10, iat= -1,1267, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1274,1275,
&end
#
# 80 HIS HB+ 83 LYS HN 5.50 (# 1251:10 Unique 3.03, 4.06 A)
&rst
ixpk= 1251, nxpk= 10, iat= -1,1267, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1230,1231,
&end
#
# 81 ASP HB+ 83 LYS HN 5.50 (# 1252:10 Unique 5.42, 5.74 A)
&rst
ixpk= 1252, nxpk= 10, iat= -1,1267, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1247,1248,
&end
#
# 82 ASP HA 83 LYS HN 3.50 (# 1253:10 Unique 3.39, 3.46 A)
&rst
ixpk= 1253, nxpk= 10, iat=1257,1267, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 SER HA 90 SER HN 5.50 (# 1260:10 Unique 2.70, 2.78 A)
&rst
ixpk= 1260, nxpk= 10, iat=1381,1379, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 90 SER HB+ 90 SER HN 3.50 (# 1261:10 Unique 2.07, 2.84 A)
&rst
ixpk= 1261, nxpk= 10, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1383,1384,
&end
#
# 89 CYS HB+ 90 SER HN 5.50 (# 1263:10 Unique 2.00, 3.41 A)
&rst
ixpk= 1263, nxpk= 10, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1372,1373,
&end
#
# 91 LYS HN 90 SER HN 5.50 (# 1264:10 Unique 2.72, 2.86 A)
&rst
ixpk= 1264, nxpk= 10, iat=1390,1379, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 ALA MB 93 ILE HN 5.50 (# 1265:10 Unique 4.42, 5.65 A)
&rst
ixpk= 1265, nxpk= 10, iat= -1,1431, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1495,1496,1497,
&end
#
# 91 LYS HN 93 ILE HN 5.50 (# 1266:10 Unique 4.21, 4.46 A)
&rst
ixpk= 1266, nxpk= 10, iat=1390,1431, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 ARG HD- 95 ARG HN 5.50 (# 1267:10 Unique 2.00, 3.82 A)
&rst
ixpk= 1267, nxpk= 10, iat= -1,1467, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1477,1478,
&end
#
# 93 ILE HN 95 ARG HN 5.50 (# 1269:10 Unique 3.81, 4.37 A)
&rst
ixpk= 1269, nxpk= 10, iat=1431,1467, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1270 95 ARG HN 2.80 (# 1270:10 Single Ambig)
&rst
ixpk= 1270, nxpk= 10, iat= -1,1467, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1450,1462,1463,
&end
#
# 0 AMB 10-2:1271 96 ALA HN 5.50 (# 1271:10 Single Ambig)
&rst
ixpk= 1271, nxpk= 10, iat= -1,1491, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1508,1509,1523,1524,
&end
#
# 98 GLU HB- 97 GLU HN 4.50 (# 1272:10 Unique 4.12, 4.88 A)
&rst
ixpk= 1272, nxpk= 10, iat= -1,1501, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1520,1521,
&end
#
# 96 ALA HA 97 GLU HN 3.50 (# 1273:10 Unique 3.54, 3.56 A)
&rst
ixpk= 1273, nxpk= 10, iat=1493,1501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 LEU HN 97 GLU HN 5.50 (# 1274:10 Unique 3.91, 4.12 A)
&rst
ixpk= 1274, nxpk= 10, iat=1531,1501, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 ARG HN 97 GLU HN 5.50 (# 1275:10 Unique 4.02, 4.34 A)
&rst
ixpk= 1275, nxpk= 10, iat=1467,1501, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 VAL MGX 98 GLU HN 5.50 (# 1276:10 Unique 3.94, 6.31 A)
&rst
ixpk= 1276, nxpk= 10, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1556,1557,1558,1560,1561,1562,
&end
#
# 0 AMB 10-2:1277 98 GLU HN 3.50 (# 1277:10 Single Ambig)
&rst
ixpk= 1277, nxpk= 10, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1538,1471,1472,
&end
#
# 99 LEU HA 98 GLU HN 5.50 (# 1278:10 Unique 4.86, 4.91 A)
&rst
ixpk= 1278, nxpk= 10, iat=1533,1516, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 97 GLU HA 98 GLU HN 3.50 (# 1279:10 Unique 3.32, 3.34 A)
&rst
ixpk= 1279, nxpk= 10, iat=1503,1516, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1280 99 LEU HN 3.50 (# 1280:10 Single Ambig)
&rst
ixpk= 1280, nxpk= 10, iat= -1,1531, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1520,1521,1554,
&end
#
# 62 LYS HB+ 100 VAL HN 5.50 (# 1281:10 Unique 5.21, 5.94 A)
&rst
ixpk= 1281, nxpk= 10, iat= -1,1550, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 940, 941,
&end
#
# 99 LEU HB- 100 VAL HN 4.50 (# 1282:10 Unique 2.44, 3.33 A)
&rst
ixpk= 1282, nxpk= 10, iat= -1,1550, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1535,1536,
&end
#
# 100 VAL HN 101 GLY HN 5.50 (# 1283:10 Unique 4.55, 4.62 A)
&rst
ixpk= 1283, nxpk= 10, iat=1550,1566, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 VAL HN 101 GLY HN 5.50 (# 1284:10 Unique 3.53, 3.83 A)
&rst
ixpk= 1284, nxpk= 10, iat= 898,1566, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 VAL MGX 102 GLN HN 5.50 (# 1285:10 Unique 4.11, 5.55 A)
&rst
ixpk= 1285, nxpk= 10, iat= -1,1573, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1556,1557,1558,1560,1561,1562,
&end
#
# 103 GLU HG- 102 GLN HN 5.50 (# 1286:10 Unique 4.74, 5.64 A)
&rst
ixpk= 1286, nxpk= 10, iat= -1,1573, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1597,1598,
&end
#
# 99 LEU HA 102 GLN HN 5.50 (# 1288:10 Unique 4.58, 5.24 A)
&rst
ixpk= 1288, nxpk= 10, iat=1533,1573, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 VAL HN 102 GLN HN 5.50 (# 1289:10 Unique 4.78, 5.10 A)
&rst
ixpk= 1289, nxpk= 10, iat=1550,1573, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 VAL HN 102 GLN HN 5.50 (# 1290:10 Unique 2.78, 3.26 A)
&rst
ixpk= 1290, nxpk= 10, iat= 898,1573, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 103 GLU HG+ 103 GLU HN 4.50 (# 1293:10 Unique 2.70, 3.55 A)
&rst
ixpk= 1293, nxpk= 10, iat= -1,1590, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1597,1598,
&end
#
# 102 GLN HG+ 103 GLU HN 3.50 (# 1294:10 Unique 2.59, 3.92 A)
&rst
ixpk= 1294, nxpk= 10, iat= -1,1590, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1580,1581,
&end
#
# 103 GLU HG- 104 VAL HN 5.50 (# 1296:10 Unique 4.76, 5.01 A)
&rst
ixpk= 1296, nxpk= 10, iat= -1,1605, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1597,1598,
&end
#
# 59 ILE HA 104 VAL HN 3.50 (# 1297:10 Unique 2.13, 2.32 A)
&rst
ixpk= 1297, nxpk= 10, iat= 881,1605, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 VAL HN 104 VAL HN 5.50 (# 1298:10 Unique 3.81, 4.34 A)
&rst
ixpk= 1298, nxpk= 10, iat= 898,1605, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 103 GLU HN 104 VAL HN 4.50 (# 1299:10 Unique 4.03, 4.11 A)
&rst
ixpk= 1299, nxpk= 10, iat=1590,1605, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 6 PRO HG- 7 GLU HN 5.50 (# 1301:10 Unique 1.67, 3.06 A)
&rst
ixpk= 1301, nxpk= 10, iat= -1, 102, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 92, 93,
&end
#
# 107 LYS HN 106 TYR HN 5.50 (# 1303:10 Unique 4.44, 4.54 A)
&rst
ixpk= 1303, nxpk= 10, iat=1661,1640, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 106 TYR HE 106 TYR HN 5.50 (# 1304:10 Unique 3.98, 4.66 A)
&rst
ixpk= 1304, nxpk= 10, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1650,1655,
&end
#
# 0 AMB 10-2:1306 108 LEU HN 2.80 (# 1306:10 Single Ambig)
&rst
ixpk= 1306, nxpk= 10, iat= -1,1683, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1668,1669,1690,
&end
#
# 112 ASN HB- 111 GLU HN 5.50 (# 1307:10 Unique 4.02, 5.06 A)
&rst
ixpk= 1307, nxpk= 10, iat= -1,1727, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1746,1747,
&end
#
# 112 ASN HA 111 GLU HN 5.50 (# 1308:10 Unique 4.87, 5.02 A)
&rst
ixpk= 1308, nxpk= 10, iat=1744,1727, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 115 HIS HB+ 112 ASN HN 5.50 (# 1310:10 Unique 4.40, 5.12 A)
&rst
ixpk= 1310, nxpk= 10, iat= -1,1742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1786,1787,
&end
#
# 115 HIS HB+ 113 CYS HN 5.50 (# 1311:10 Unique 4.67, 5.34 A)
&rst
ixpk= 1311, nxpk= 10, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1786,1787,
&end
#
# 115 HIS HN 113 CYS HN 5.50 (# 1312:10 Unique 3.92, 4.08 A)
&rst
ixpk= 1312, nxpk= 10, iat=1782,1756, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 GLU HA 114 GLU HN 5.50 (# 1313:10 Unique 3.74, 3.90 A)
&rst
ixpk= 1313, nxpk= 10, iat=1729,1767, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1314 114 GLU HN 5.50 (# 1314:10 Single Ambig)
&rst
ixpk= 1314, nxpk= 10, iat= -1,1767, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1784,1685,
&end
#
# 114 GLU HG+ 115 HIS HN 5.50 (# 1316:10 Unique 2.19, 4.73 A)
&rst
ixpk= 1316, nxpk= 10, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1774,1775,
&end
#
# 0 AMB 10-2:1317 115 HIS HN 5.50 (# 1317:10 Single Ambig)
&rst
ixpk= 1317, nxpk= 10, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1825,1826,1827,1829,1830,1831,1955,1956,1957,
&end
#
# 117 VAL MGX 115 HIS HN 5.50 (# 1318:10 Unique 4.11, 5.99 A)
&rst
ixpk= 1318, nxpk= 10, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1825,1826,1827,1829,1830,1831,
&end
#
# 112 ASN HB+ 115 HIS HN 5.50 (# 1319:10 Unique 5.09, 5.37 A)
&rst
ixpk= 1319, nxpk= 10, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1746,1747,
&end
#
# 116 PHE HB+ 115 HIS HN 4.50 (# 1321:10 Unique 4.40, 5.07 A)
&rst
ixpk= 1321, nxpk= 10, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1803,1804,
&end
#
# 113 CYS HB+ 115 HIS HN 5.50 (# 1322:10 Unique 4.61, 5.05 A)
&rst
ixpk= 1322, nxpk= 10, iat= -1,1782, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1760,1761,
&end
#
# 117 VAL HN 115 HIS HN 5.50 (# 1326:10 Unique 4.24, 4.51 A)
&rst
ixpk= 1326, nxpk= 10, iat=1819,1782, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 113 CYS HN 115 HIS HN 5.50 (# 1327:10 Unique 3.92, 4.08 A)
&rst
ixpk= 1327, nxpk= 10, iat=1756,1782, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 117 VAL MGY 116 PHE HN 5.50 (# 1328:10 Unique 3.70, 5.34 A)
&rst
ixpk= 1328, nxpk= 10, iat= -1,1799, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1825,1826,1827,1829,1830,1831,
&end
#
# 117 VAL MGX 116 PHE HN 5.50 (# 1329:10 Unique 3.70, 5.34 A)
&rst
ixpk= 1329, nxpk= 10, iat= -1,1799, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1825,1826,1827,1829,1830,1831,
&end
#
# 0 AMB 10-2:1332 117 VAL HN 5.50 (# 1332:10 Single Ambig)
&rst
ixpk= 1332, nxpk= 10, iat= -1,1819, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 588, 589, 904, 905, 906, 908, 909, 910,
&end
#
# 118 ASN HB- 117 VAL HN 5.50 (# 1334:10 Unique 4.40, 5.34 A)
&rst
ixpk= 1334, nxpk= 10, iat= -1,1819, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1839,1840,
&end
#
# 116 PHE HE 117 VAL HN 5.50 (# 1335:10 Unique 4.22, 5.28 A)
&rst
ixpk= 1335, nxpk= 10, iat= -1,1819, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1809,1813,
&end
#
# 13 LEU MDY 118 ASN HN 5.50 (# 1336:10 Unique 4.11, 5.91 A)
&rst
ixpk= 1336, nxpk= 10, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 195, 196, 197, 199, 200, 201,
&end
#
# 117 VAL MGY 118 ASN HN 4.50 (# 1337:10 Unique 1.90, 3.84 A)
&rst
ixpk= 1337, nxpk= 10, iat= -1,1835, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1825,1826,1827,1829,1830,1831,
&end
#
# 117 VAL HB 118 ASN HN 5.50 (# 1338:10 Unique 3.59, 3.78 A)
&rst
ixpk= 1338, nxpk= 10, iat=1823,1835, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 ARG HN 118 ASN HN 5.50 (# 1339:10 Unique 4.65, 4.84 A)
&rst
ixpk= 1339, nxpk= 10, iat=1883,1835, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1340 120 LEU HN 5.50 (# 1340:10 Single Ambig)
&rst
ixpk= 1340, nxpk= 10, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1540,1541,1542,1544,1545,1546,1344,1345,1346,1348,
1349,1350, 195, 196, 197, 199, 200, 201,
&end
#
# 118 ASN HA 120 LEU HN 5.50 (# 1341:10 Unique 3.59, 3.73 A)
&rst
ixpk= 1341, nxpk= 10, iat=1837,1864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 117 VAL HN 120 LEU HN 5.50 (# 1342:10 Unique 5.04, 5.22 A)
&rst
ixpk= 1342, nxpk= 10, iat=1819,1864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 ARG HG+ 121 ARG HN 5.50 (# 1343:10 Unique 1.97, 3.79 A)
&rst
ixpk= 1343, nxpk= 10, iat= -1,1883, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1890,1891,
&end
#
# 120 LEU MDX 121 ARG HN 5.50 (# 1344:10 Unique 4.26, 5.28 A)
&rst
ixpk= 1344, nxpk= 10, iat= -1,1883, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 0 AMB 10-2:1345 121 ARG HN 5.50 (# 1345:10 Single Ambig)
&rst
ixpk= 1345, nxpk= 10, iat= -1,1883, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1422,1423, 442, 443,
&end
#
# 0 AMB 10-2:1346 121 ARG HN 5.50 (# 1346:10 Single Ambig)
&rst
ixpk= 1346, nxpk= 10, iat= -1,1883, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1856,1857,1853,1854,1471,1472,
&end
#
# 121 ARG HD- 121 ARG HN 5.50 (# 1347:10 Unique 2.14, 4.77 A)
&rst
ixpk= 1347, nxpk= 10, iat= -1,1883, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1893,1894,
&end
#
# 119 GLU HN 121 ARG HN 5.50 (# 1348:10 Unique 4.10, 4.30 A)
&rst
ixpk= 1348, nxpk= 10, iat=1849,1883, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 ARG HG+ 122 TYR HN 5.50 (# 1351:10 Unique 1.93, 3.95 A)
&rst
ixpk= 1351, nxpk= 10, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1890,1891,
&end
#
# 0 AMB 10-2:1352 122 TYR HN 5.50 (# 1352:10 Single Ambig)
&rst
ixpk= 1352, nxpk= 10, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1871, 193,
&end
#
# 123 GLY HA+ 122 TYR HN 5.50 (# 1353:10 Unique 4.06, 4.60 A)
&rst
ixpk= 1353, nxpk= 10, iat= -1,1907, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1930,1931,
&end
#
# 124 VAL MGY 123 GLY HN 5.50 (# 1354:10 Unique 3.17, 6.03 A)
&rst
ixpk= 1354, nxpk= 10, iat= -1,1928, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1941,1942,1943,1945,1946,1947,
&end
#
# 121 ARG HB- 123 GLY HN 5.50 (# 1355:10 Unique 4.46, 5.53 A)
&rst
ixpk= 1355, nxpk= 10, iat= -1,1928, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1887,1888,
&end
#
# 118 ASN HA 123 GLY HN 5.50 (# 1356:10 Unique 4.43, 5.01 A)
&rst
ixpk= 1356, nxpk= 10, iat=1837,1928, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 VAL MGX 124 VAL HN 4.50 (# 1357:10 Unique 2.08, 4.20 A)
&rst
ixpk= 1357, nxpk= 10, iat= -1,1935, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1941,1942,1943,1945,1946,1947,
&end
#
# 122 TYR HA 124 VAL HN 5.50 (# 1358:10 Unique 4.90, 5.18 A)
&rst
ixpk= 1358, nxpk= 10, iat=1909,1935, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 VAL MGY 125 ALA HN 3.50 (# 1359:10 Unique 2.28, 4.33 A)
&rst
ixpk= 1359, nxpk= 10, iat= -1,1951, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1941,1942,1943,1945,1946,1947,
&end
#
# 119 GLU HA 125 ALA HN 5.50 (# 1360:10 Unique 1.95, 3.20 A)
&rst
ixpk= 1360, nxpk= 10, iat=1851,1951, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 116 PHE HA 125 ALA HN 5.50 (# 1361:10 Unique 5.40, 5.52 A)
&rst
ixpk= 1361, nxpk= 10, iat=1801,1951, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 17 PHE HB- 17 PHE HN 3.50 (# 1363:10 Unique 2.12, 2.95 A)
&rst
ixpk= 1363, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 262, 263,
&end
#
# 0 AMB 10-2:1364 17 PHE HN 5.50 (# 1364:10 Single Ambig)
&rst
ixpk= 1364, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 243, 285, 286,
&end
#
# 12 ASP HB- 27 TYR HN 5.50 (# 1365:10 Unique 4.24, 4.85 A)
&rst
ixpk= 1365, nxpk= 10, iat= -1, 451, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 178, 179,
&end
#
# 0 AMB 10-2:1366 60 VAL HN 5.50 (# 1366:10 Single Ambig)
&rst
ixpk= 1366, nxpk= 10, iat= -1, 898, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 586, 871,
&end
#
# 103 GLU HA 60 VAL HN 3.50 (# 1367:10 Unique 3.13, 3.55 A)
&rst
ixpk= 1367, nxpk= 10, iat=1592, 898, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 18 ARG HG+ 18 ARG HN 3.50 (# 1368:10 Unique 2.34, 3.86 A)
&rst
ixpk= 1368, nxpk= 10, iat= -1, 278, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 285, 286,
&end
#
# 27 TYR HN 14 ILE HN 5.50 (# 1369:10 Unique 2.87, 3.83 A)
&rst
ixpk= 1369, nxpk= 10, iat= 451, 205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1370 91 LYS HN 5.50 (# 1370:10 Single Ambig)
&rst
ixpk= 1370, nxpk= 10, iat= -1,1390, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1450,1462,1463,
&end
#
# 87 LEU HB- 92 ILE HN 5.50 (# 1373:10 Unique 3.08, 3.93 A)
&rst
ixpk= 1373, nxpk= 10, iat= -1,1412, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1339,1340,
&end
#
# 93 ILE QD1 92 ILE HN 5.50 (# 1374:10 Unique 4.39, 6.18 A)
&rst
ixpk= 1374, nxpk= 10, iat= -1,1412, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1444,1445,1446,
&end
#
# 82 ASP HA 84 TYR HN 5.50 (# 1376:10 Unique 3.86, 4.41 A)
&rst
ixpk= 1376, nxpk= 10, iat=1257,1289, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 GLU HB- 100 VAL HN 5.50 (# 1377:10 Unique 4.98, 5.49 A)
&rst
ixpk= 1377, nxpk= 10, iat= -1,1550, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1520,1521,
&end
#
# 0 AMB 10-2:1378 59 ILE HN 5.50 (# 1378:10 Single Ambig)
&rst
ixpk= 1378, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1594,1595, 620, 621,
&end
#
# 59 ILE HG1- 59 ILE HN 4.50 (# 1379:10 Unique 2.55, 3.16 A)
&rst
ixpk= 1379, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 889, 890,
&end
#
# 36 LEU HG 59 ILE HN 5.50 (# 1380:10 Unique 5.52, 5.59 A)
&rst
ixpk= 1380, nxpk= 10, iat= 591, 879, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 123 GLY HN 120 LEU HN 5.50 (# 1381:10 Unique 3.91, 4.34 A)
&rst
ixpk= 1381, nxpk= 10, iat=1928,1864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 3 ALA MB 2 ARG HN 5.50 (# 1383:10 Unique 3.75, 5.59 A)
&rst
ixpk= 1383, nxpk= 10, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 49, 50, 51,
&end
#
# 2 ARG HA 2 ARG HN 5.50 (# 1384:10 Unique 2.27, 2.77 A)
&rst
ixpk= 1384, nxpk= 10, iat= 23, 21, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 24 TRP HZ2 77 ASN HD2+ 5.50 (# 1386:10 Unique 2.98, 4.40 A)
&rst
ixpk= 1386, nxpk= 10, iat= 411, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1185,1186,
&end
#
# 75 GLN HE2- 77 ASN HD2+ 5.50 (# 1387:10 Unique 2.73, 6.27 A)
&rst
ixpk= 1387, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1155,1156,
igr2=1185,1186,
&end
#
# 0 AMB 10-2:1399 125 ALA HN 2.80 (# 1399:10 Single Ambig)
&rst
ixpk= 1399, nxpk= 10, iat= -1,1951, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1937,1953,
&end
#
# 77 ASN HB- 75 GLN HE2- 5.50 (# 1400:10 Unique 1.95, 4.76 A)
&rst
ixpk= 1400, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1180,1181,
igr2=1155,1156,
&end
#
# 77 ASN HB- 75 GLN HE2+ 5.50 (# 1401:10 Unique 1.95, 4.76 A)
&rst
ixpk= 1401, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1180,1181,
igr2=1155,1156,
&end
#
# 78 ASN HN 78 ASN HD2+ 5.50 (# 1402:10 Unique 1.90, 3.39 A)
&rst
ixpk= 1402, nxpk= 10, iat=1190, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1199,1200,
&end
#
# 78 ASN HN 78 ASN HD2- 5.50 (# 1403:10 Unique 1.90, 3.39 A)
&rst
ixpk= 1403, nxpk= 10, iat=1190, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1199,1200,
&end
#
# 13 LEU HN 78 ASN HD2- 5.50 (# 1404:10 Unique 1.90, 3.01 A)
&rst
ixpk= 1404, nxpk= 10, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1199,1200,
&end
#
# 13 LEU HN 78 ASN HD2+ 5.50 (# 1405:10 Unique 1.90, 3.01 A)
&rst
ixpk= 1405, nxpk= 10, iat= 186, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1199,1200,
&end
#
# 102 GLN HB+ 102 GLN HE2- 5.50 (# 1406:10 Unique 2.18, 4.12 A)
&rst
ixpk= 1406, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1577,1578,
igr2=1585,1586,
&end
#
# 15 GLU HB- 75 GLN HE2+ 5.50 (# 1407:10 Unique 1.94, 4.38 A)
&rst
ixpk= 1407, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 228, 229,
igr2=1155,1156,
&end
#
# 90 SER HN 91 LYS HN 5.50 (# 1408:10 Unique 2.72, 2.86 A)
&rst
ixpk= 1408, nxpk= 10, iat=1379,1390, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1409 24 TRP HE1 5.50 (# 1409:10 Single Ambig)
&rst
ixpk= 1409, nxpk= 10, iat= -1, 408, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 402, 403,1760,1761,
&end
#
# 114 GLU HA 24 TRP HE1 5.50 (# 1411:10 Unique 5.03, 5.45 A)
&rst
ixpk= 1411, nxpk= 10, iat=1769, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 HIS HN 24 TRP HN 5.50 (# 1412:10 Unique 3.88, 4.24 A)
&rst
ixpk= 1412, nxpk= 10, iat= 381, 398, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 GLU HG+ 16 ILE HN 3.50 (# 1413:10 Unique 2.42, 3.59 A)
&rst
ixpk= 1413, nxpk= 10, iat= -1, 239, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 231, 232,
&end
#
# 23 HIS HB- 24 TRP HN 5.50 (# 1415:10 Unique 3.21, 4.13 A)
&rst
ixpk= 1415, nxpk= 10, iat= -1, 398, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 385, 386,
&end
#
# 0 AMB 10-2:1416 92 ILE HN 3.50 (# 1416:10 Single Ambig)
&rst
ixpk= 1416, nxpk= 10, iat= -1,1412, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1339,1340,1397,1398,
&end
#
# 81 ASP HN 83 LYS HN 4.50 (# 1417:10 Unique 4.09, 4.32 A)
&rst
ixpk= 1417, nxpk= 10, iat=1243,1267, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:1418 0 AMB 10-1:1418 3.50 (# 1418:10 Double Ambig)
&rst
ixpk= 1418, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 857, 858,1441,1442,
igr2= 847,1450,
&end
#
# 66 TYR HB+ 67 ASP HN 3.50 (# 1419:10 Unique 2.34, 3.36 A)
&rst
ixpk= 1419, nxpk= 10, iat= -1,1032, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1015,1016,
&end
#
# 107 LYS HG- 107 LYS HN 3.50 (# 1420:10 Unique 2.24, 3.82 A)
&rst
ixpk= 1420, nxpk= 10, iat= -1,1661, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1668,1669,
&end
#
# 18 ARG HG+ 21 TYR HN 5.50 (# 1421:10 Unique 3.67, 5.18 A)
&rst
ixpk= 1421, nxpk= 10, iat= -1, 336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 285, 286,
&end
#
# 102 GLN HB+ 101 GLY HN 5.50 (# 1422:10 Unique 4.38, 5.42 A)
&rst
ixpk= 1422, nxpk= 10, iat= -1,1566, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1577,1578,
&end
#
# 73 LYS HB- 74 TYR HN 4.50 (# 1423:10 Unique 2.94, 4.11 A)
&rst
ixpk= 1423, nxpk= 10, iat= -1,1122, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1104,1105,
&end
#
# 14 ILE HA 75 GLN HN 5.50 (# 1424:10 Unique 4.37, 4.69 A)
&rst
ixpk= 1424, nxpk= 10, iat= 207,1143, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1425 11 GLY HN 3.50 (# 1425:10 Single Ambig)
&rst
ixpk= 1425, nxpk= 10, iat= -1, 167, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1418,1419,1420, 442, 443,
&end
#
# 99 LEU HG 102 GLN HE2+ 5.50 (# 1426:10 Unique 4.09, 5.18 A)
&rst
ixpk= 1426, nxpk= 10, iat=1538, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1585,1586,
&end
#
# 112 ASN HA 112 ASN HD2+ 5.50 (# 1427:10 Unique 3.89, 4.31 A)
&rst
ixpk= 1427, nxpk= 10, iat=1744, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1751,1752,
&end
#
# 106 TYR HB- 112 ASN HD2- 4.50 (# 1428:10 Unique 1.93, 3.50 A)
&rst
ixpk= 1428, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1644,1645,
igr2=1751,1752,
&end
#
# 94 GLN HB+ 94 GLN HE2+ 5.50 (# 1429:10 Unique 2.06, 3.67 A)
&rst
ixpk= 1429, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1454,1455,
igr2=1462,1463,
&end
#
# 80 HIS HB- 81 ASP HN 4.50 (# 1430:10 Unique 4.16, 4.37 A)
&rst
ixpk= 1430, nxpk= 10, iat= -1,1243, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1230,1231,
&end
#
# 70 GLY HN 72 ASP HN 5.50 (# 1431:10 Unique 3.63, 4.68 A)
&rst
ixpk= 1431, nxpk= 10, iat=1070,1088, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 LYS HA 93 ILE HN 5.50 (# 1432:10 Unique 4.41, 4.71 A)
&rst
ixpk= 1432, nxpk= 10, iat=1392,1431, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 92 ILE HA 94 GLN HN 5.50 (# 1433:10 Unique 4.35, 4.71 A)
&rst
ixpk= 1433, nxpk= 10, iat=1414,1450, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 ALA HA 98 GLU HN 5.50 (# 1435:10 Unique 3.78, 3.89 A)
&rst
ixpk= 1435, nxpk= 10, iat=1493,1516, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 102 GLN HN 100 VAL HN 5.50 (# 1437:10 Unique 4.78, 5.10 A)
&rst
ixpk= 1437, nxpk= 10, iat=1573,1550, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 113 CYS HN 111 GLU HN 5.50 (# 1438:10 Unique 4.13, 4.35 A)
&rst
ixpk= 1438, nxpk= 10, iat=1756,1727, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1439 0 AMB 10-1:1439 5.50 (# 1439:10 Double Ambig)
&rst
ixpk= 1439, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1727,1077, 992,
igr2=1756,1060,
&end
#
# 117 VAL HN 119 GLU HN 5.50 (# 1440:10 Unique 4.14, 4.29 A)
&rst
ixpk= 1440, nxpk= 10, iat=1819,1849, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 ALA MB 70 GLY HN 4.50 (# 1441:10 Unique 2.06, 3.11 A)
&rst
ixpk= 1441, nxpk= 10, iat= -1,1070, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1064,1065,1066,
&end
#
# 70 GLY HA+ 70 GLY HN 3.50 (# 1442:10 Unique 2.29, 2.66 A)
&rst
ixpk= 1442, nxpk= 10, iat= -1,1070, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1072,1073,
&end
#
# 70 GLY HA- 70 GLY HN 3.50 (# 1443:10 Unique 2.29, 2.66 A)
&rst
ixpk= 1443, nxpk= 10, iat= -1,1070, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1072,1073,
&end
#
# 69 ALA HN 70 GLY HN 4.50 (# 1445:10 Unique 2.27, 2.95 A)
&rst
ixpk= 1445, nxpk= 10, iat=1060,1070, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 SER HN 70 GLY HN 5.50 (# 1446:10 Unique 1.88, 3.65 A)
&rst
ixpk= 1446, nxpk= 10, iat=1077,1070, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 74 TYR HE 74 TYR HN 5.50 (# 1448:10 Unique 3.87, 4.73 A)
&rst
ixpk= 1448, nxpk= 10, iat= -1,1122, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1132,1137,
&end
#
# 0 AMB 10-2:1449 87 LEU HN 3.50 (# 1449:10 Single Ambig)
&rst
ixpk= 1449, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1314,1315,1885,
&end
#
# 0 AMB 10-2:1451 91 LYS HN 5.50 (# 1451:10 Single Ambig)
&rst
ixpk= 1451, nxpk= 10, iat= -1,1390, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1344,1345,1346,1348,1349,1350,1418,1419,1420,
&end
#
# 92 ILE QD1 91 LYS HN 5.50 (# 1452:10 Unique 3.95, 5.82 A)
&rst
ixpk= 1452, nxpk= 10, iat= -1,1390, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1425,1426,1427,
&end
#
# 99 LEU MDY 99 LEU HN 3.50 (# 1453:10 Unique 3.06, 4.51 A)
&rst
ixpk= 1453, nxpk= 10, iat= -1,1531, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1540,1541,1542,1544,1545,1546,
&end
#
# 0 AMB 10-2:1454 79 LYS HN 4.50 (# 1454:10 Single Ambig)
&rst
ixpk= 1454, nxpk= 10, iat= -1,1204, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1247,1248,1217,1218,
&end
#
# 98 GLU HG- 98 GLU HN 3.50 (# 1455:10 Unique 3.43, 4.10 A)
&rst
ixpk= 1455, nxpk= 10, iat= -1,1516, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1523,1524,
&end
#
# 76 VAL MGY 9 LYS HN 4.50 (# 1456:10 Unique 2.84, 4.82 A)
&rst
ixpk= 1456, nxpk= 10, iat= -1, 131, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1166,1167,1168,1170,1171,1172,
&end
#
# 73 LYS HB+ 73 LYS HN 3.50 (# 1457:10 Unique 2.18, 3.22 A)
&rst
ixpk= 1457, nxpk= 10, iat= -1,1100, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1104,1105,
&end
#
# 86 PRO HB- 87 LEU HN 3.50 (# 1458:10 Unique 3.71, 4.11 A)
&rst
ixpk= 1458, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1328,1329,
&end
#
# 86 PRO HG+ 87 LEU HN 5.50 (# 1459:10 Unique 2.90, 3.73 A)
&rst
ixpk= 1459, nxpk= 10, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1325,1326,
&end
#
# 84 TYR HN 81 ASP HN 5.50 (# 1460:10 Unique 4.57, 5.00 A)
&rst
ixpk= 1460, nxpk= 10, iat=1289,1243, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 108 LEU MDX 23 HIS HE1 4.50 (# 0:60 Unique 2.57, 5.05 A)
&rst
ixpk= 0, nxpk= 60, iat= -1, 391, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1=1692,1693,1694,1696,1697,1698,
&end
#
# 0 AMB 60-2:1 80 HIS HE1 5.50 (# 1:60 Single Ambig)
&rst
ixpk= 1, nxpk= 60, iat= -1,1236, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1214,1215,1208,1209,
&end
#
# 79 LYS HE+ 80 HIS HE1 5.50 (# 3:60 Unique 3.49, 5.93 A)
&rst
ixpk= 3, nxpk= 60, iat= -1,1236, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1217,1218,
&end
#
# 37 ALA MB 35 HIS HE1 4.50 (# 5:60 Unique 3.03, 4.37 A)
&rst
ixpk= 5, nxpk= 60, iat= -1, 577, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 607, 608, 609,
&end
#
# 0 AMB 60-2:6 35 HIS HE1 3.50 (# 6:60 Single Ambig)
&rst
ixpk= 6, nxpk= 60, iat= -1, 577, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
1055,1056,
&end
#
# 21 TYR HB- 21 TYR HD 3.50 (# 7:60 Unique 2.30, 3.06 A)
&rst
ixpk= 7, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 340, 341,
igr2= 344, 353,
&end
#
# 18 ARG HN 21 TYR HD 4.50 (# 8:60 Unique 4.41, 6.30 A)
&rst
ixpk= 8, nxpk= 60, iat= 278, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 344, 353,
&end
#
# 21 TYR HB+ 21 TYR HD 3.50 (# 10:60 Unique 2.30, 3.06 A)
&rst
ixpk= 10, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 340, 341,
igr2= 344, 353,
&end
#
# 22 ARG HN 21 TYR HD 4.50 (# 11:60 Unique 1.78, 3.41 A)
&rst
ixpk= 11, nxpk= 60, iat= 357, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 344, 353,
&end
#
# 32 TYR HA 32 TYR HD 4.50 (# 12:60 Unique 1.78, 3.27 A)
&rst
ixpk= 12, nxpk= 60, iat= 516, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 522, 531,
&end
#
# 30 ASP HB+ 32 TYR HD 5.50 (# 13:60 Unique 2.93, 5.61 A)
&rst
ixpk= 13, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 499, 500,
igr2= 522, 531,
&end
#
# 32 TYR HN 32 TYR HD 4.50 (# 14:60 Unique 3.32, 3.66 A)
&rst
ixpk= 14, nxpk= 60, iat= 514, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 522, 531,
&end
#
# 63 GLU HA 32 TYR HD 4.50 (# 15:60 Unique 2.30, 4.21 A)
&rst
ixpk= 15, nxpk= 60, iat= 960, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 522, 531,
&end
#
# 32 TYR HB- 32 TYR HD 3.50 (# 16:60 Unique 2.30, 3.07 A)
&rst
ixpk= 16, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 518, 519,
igr2= 522, 531,
&end
#
# 32 TYR HB+ 32 TYR HD 3.50 (# 17:60 Unique 2.30, 3.07 A)
&rst
ixpk= 17, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 518, 519,
igr2= 522, 531,
&end
#
# 33 VAL HN 32 TYR HD 4.50 (# 18:60 Unique 3.02, 4.68 A)
&rst
ixpk= 18, nxpk= 60, iat= 535, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 522, 531,
&end
#
# 104 VAL MGY 106 TYR HD 4.50 (# 20:60 Unique 2.04, 4.90 A)
&rst
ixpk= 20, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1611,1612,1613,1615,1616,1617,
igr2=1648,1657,
&end
#
# 107 LYS HN 106 TYR HD 5.50 (# 21:60 Unique 2.81, 4.81 A)
&rst
ixpk= 21, nxpk= 60, iat=1661, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1648,1657,
&end
#
# 0 AMB 60-2:22 74 TYR HD 3.50 (# 22:60 Single Ambig)
&rst
ixpk= 22, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1126,1127,1092,1093,
igr2=1130,1139,
&end
#
# 69 ALA MB 74 TYR HD 3.50 (# 23:60 Unique 2.45, 4.04 A)
&rst
ixpk= 23, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1064,1065,1066,
igr2=1130,1139,
&end
#
# 14 ILE QG2 74 TYR HD 3.50 (# 24:60 Unique 3.00, 5.15 A)
&rst
ixpk= 24, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 211, 212, 213,
igr2=1130,1139,
&end
#
# 12 ASP HN 27 TYR HD 5.50 (# 25:60 Unique 3.77, 4.75 A)
&rst
ixpk= 25, nxpk= 60, iat= 174, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 459, 468,
&end
#
# 27 TYR HB- 27 TYR HD 4.50 (# 26:60 Unique 2.30, 3.05 A)
&rst
ixpk= 26, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 455, 456,
igr2= 459, 468,
&end
#
# 27 TYR HB+ 27 TYR HD 4.50 (# 27:60 Unique 2.30, 3.05 A)
&rst
ixpk= 27, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 455, 456,
igr2= 459, 468,
&end
#
# 0 AMB 60-2:28 27 TYR HD 4.50 (# 28:60 Single Ambig)
&rst
ixpk= 28, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 218, 219, 220, 124, 125,
igr2= 459, 468,
&end
#
# 66 TYR HN 66 TYR HD 4.50 (# 29:60 Unique 1.81, 3.47 A)
&rst
ixpk= 29, nxpk= 60, iat=1011, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1019,1028,
&end
#
# 112 ASN HD2+ 106 TYR HD 5.50 (# 30:60 Unique 1.93, 4.39 A)
&rst
ixpk= 30, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1751,1752,
igr2=1648,1657,
&end
#
# 106 TYR HA 106 TYR HD 4.50 (# 31:60 Unique 1.94, 4.14 A)
&rst
ixpk= 31, nxpk= 60, iat=1642, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1648,1657,
&end
#
# 0 AMB 60-2:32 0 AMB 60-1:32 3.50 (# 32:60 Double Ambig)
&rst
ixpk= 32, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1293,1294,1644,1645,1839,1840,
igr2=1915,1924,1648,1657,
&end
#
# 0 AMB 60-2:33 0 AMB 60-1:33 3.50 (# 33:60 Double Ambig)
&rst
ixpk= 33, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1911,1912,1644,1645,
igr2=1915,1924,1648,1657,
&end
#
# 36 LEU HG 106 TYR HD 4.50 (# 34:60 Unique 2.47, 5.47 A)
&rst
ixpk= 34, nxpk= 60, iat= 591, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1648,1657,
&end
#
# 0 AMB 60-2:35 32 TYR HD 5.50 (# 35:60 Single Ambig)
&rst
ixpk= 35, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 992, 958,
igr2= 522, 531,
&end
#
# 33 VAL MGX 27 TYR HD 3.50 (# 36:60 Unique 2.42, 5.61 A)
&rst
ixpk= 36, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 541, 542, 543, 545, 546, 547,
igr2= 459, 468,
&end
#
# 27 TYR HA 27 TYR HD 3.50 (# 37:60 Unique 3.06, 3.46 A)
&rst
ixpk= 37, nxpk= 60, iat= 453, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 459, 468,
&end
#
# 10 PRO HA 27 TYR HD 4.50 (# 38:60 Unique 2.00, 4.43 A)
&rst
ixpk= 38, nxpk= 60, iat= 163, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 459, 468,
&end
#
# 11 GLY HN 27 TYR HD 5.50 (# 39:60 Unique 2.87, 5.02 A)
&rst
ixpk= 39, nxpk= 60, iat= 167, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 459, 468,
&end
#
# 0 AMB 60-2:40 84 TYR HD 5.50 (# 40:60 Single Ambig)
&rst
ixpk= 40, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1310,1255,
igr2=1297,1306,
&end
#
# 80 HIS HB+ 84 TYR HD 4.50 (# 41:60 Unique 1.99, 4.68 A)
&rst
ixpk= 41, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1230,1231,
igr2=1297,1306,
&end
#
# 66 TYR HE 66 TYR HD 2.80 (# 42:60 Unique 2.46, 3.69 A)
&rst
ixpk= 42, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1021,1026,
igr2=1019,1028,
&end
#
# 66 TYR HA 66 TYR HD 3.50 (# 43:60 Unique 2.20, 3.67 A)
&rst
ixpk= 43, nxpk= 60, iat=1013, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1019,1028,
&end
#
# 66 TYR HB- 66 TYR HD 3.50 (# 44:60 Unique 2.30, 3.05 A)
&rst
ixpk= 44, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1015,1016,
igr2=1019,1028,
&end
#
# 66 TYR HB+ 66 TYR HD 3.50 (# 45:60 Unique 2.30, 3.05 A)
&rst
ixpk= 45, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1015,1016,
igr2=1019,1028,
&end
#
# 84 TYR HN 84 TYR HD 5.50 (# 46:60 Unique 1.87, 3.88 A)
&rst
ixpk= 46, nxpk= 60, iat=1289, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1297,1306,
&end
#
# 84 TYR HA 84 TYR HD 3.50 (# 47:60 Unique 1.86, 3.72 A)
&rst
ixpk= 47, nxpk= 60, iat=1291, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1297,1306,
&end
#
# 84 TYR HB- 84 TYR HD 3.50 (# 48:60 Unique 2.31, 3.07 A)
&rst
ixpk= 48, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1293,1294,
igr2=1297,1306,
&end
#
# 84 TYR HB+ 84 TYR HD 3.50 (# 49:60 Unique 2.31, 3.07 A)
&rst
ixpk= 49, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1293,1294,
igr2=1297,1306,
&end
#
# 107 LYS HB+ 106 TYR HD 4.50 (# 50:60 Unique 4.87, 6.82 A)
&rst
ixpk= 50, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1665,1666,
igr2=1648,1657,
&end
#
# 33 VAL HA 27 TYR HD 5.50 (# 51:60 Unique 4.99, 5.66 A)
&rst
ixpk= 51, nxpk= 60, iat= 537, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 459, 468,
&end
#
# 83 LYS HB+ 84 TYR HD 5.50 (# 52:60 Unique 2.00, 5.22 A)
&rst
ixpk= 52, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1271,1272,
igr2=1297,1306,
&end
#
# 0 AMB 60-2:53 116 PHE HD 5.50 (# 53:60 Single Ambig)
&rst
ixpk= 53, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1849,1767,
igr2=1807,1815,
&end
#
# 0 AMB 60-2:54 0 AMB 60-1:54 2.80 (# 54:60 Double Ambig)
&rst
ixpk= 54, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1809,1813, 344, 353,
igr2=1807,1815, 324, 332,
&end
#
# 116 PHE HB- 116 PHE HD 3.50 (# 55:60 Unique 2.28, 3.04 A)
&rst
ixpk= 55, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1803,1804,
igr2=1807,1815,
&end
#
# 116 PHE HA 116 PHE HD 4.50 (# 56:60 Unique 2.31, 3.66 A)
&rst
ixpk= 56, nxpk= 60, iat=1801, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1807,1815,
&end
#
# 116 PHE HB+ 116 PHE HD 3.50 (# 57:60 Unique 2.28, 3.04 A)
&rst
ixpk= 57, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1803,1804,
igr2=1807,1815,
&end
#
# 117 VAL MGY 116 PHE HD 3.50 (# 58:60 Unique 2.01, 5.68 A)
&rst
ixpk= 58, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1825,1826,1827,1829,1830,1831,
igr2=1807,1815,
&end
#
# 0 AMB 60-2:59 116 PHE HD 5.50 (# 59:60 Single Ambig)
&rst
ixpk= 59, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 591,1611,1612,1613,1615,1616,1617,
igr2=1807,1815,
&end
#
# 20 PHE HB- 20 PHE HD 4.50 (# 60:60 Unique 2.28, 3.04 A)
&rst
ixpk= 60, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 320, 321,
igr2= 324, 332,
&end
#
# 17 PHE HN 17 PHE HD 4.50 (# 62:60 Unique 2.48, 3.97 A)
&rst
ixpk= 62, nxpk= 60, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 266, 274,
&end
#
# 17 PHE HA 17 PHE HD 4.50 (# 64:60 Unique 2.13, 3.39 A)
&rst
ixpk= 64, nxpk= 60, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 266, 274,
&end
#
# 17 PHE HB- 17 PHE HD 4.50 (# 65:60 Unique 2.28, 3.04 A)
&rst
ixpk= 65, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 262, 263,
igr2= 266, 274,
&end
#
# 74 TYR HA 17 PHE HD 4.50 (# 66:60 Unique 2.56, 5.01 A)
&rst
ixpk= 66, nxpk= 60, iat=1124, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 266, 274,
&end
#
# 116 PHE HD 116 PHE HE 3.50 (# 68:60 Unique 2.46, 3.69 A)
&rst
ixpk= 68, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1807,1815,
igr2=1809,1813,
&end
#
# 0 AMB 60-2:71 0 AMB 60-1:71 3.50 (# 71:60 Double Ambig)
&rst
ixpk= 71, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1=1540,1541,1542,1544,1545,1546, 231, 232,
igr2=1809,1813, 268, 272,
&end
#
# 0 AMB 60-2:72 116 PHE HE 4.50 (# 72:60 Single Ambig)
&rst
ixpk= 72, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 445, 446, 447, 442, 443,
igr2=1809,1813,
&end
#
# 24 TRP HE1 24 TRP HD1 4.50 (# 74:60 Unique 2.57, 2.57 A)
&rst
ixpk= 74, nxpk= 60, iat= 408, 406, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 113 CYS HB+ 24 TRP HD1 5.50 (# 76:60 Unique 3.25, 4.24 A)
&rst
ixpk= 76, nxpk= 60, iat= -1, 406, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1760,1761,
&end
#
# 13 LEU HG 24 TRP HZ3 5.50 (# 85:60 Unique 3.33, 4.25 A)
&rst
ixpk= 85, nxpk= 60, iat= 193, 415, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 TYR HD 66 TYR HE 2.80 (# 94:60 Unique 2.46, 3.69 A)
&rst
ixpk= 94, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1019,1028,
igr2=1021,1026,
&end
#
# 112 ASN HB+ 106 TYR HE 4.50 (# 98:60 Unique 2.24, 5.31 A)
&rst
ixpk= 98, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1746,1747,
igr2=1650,1655,
&end
#
# 64 LEU MDY 66 TYR HE 4.50 (# 100:60 Unique 1.96, 5.50 A)
&rst
ixpk= 100, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 982, 983, 984, 986, 987, 988,
igr2=1021,1026,
&end
#
# 64 LEU HG 66 TYR HE 4.50 (# 102:60 Unique 2.81, 6.25 A)
&rst
ixpk= 102, nxpk= 60, iat= 980, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1021,1026,
&end
#
# 64 LEU MDX 66 TYR HE 4.50 (# 103:60 Unique 1.96, 5.50 A)
&rst
ixpk= 103, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 982, 983, 984, 986, 987, 988,
igr2=1021,1026,
&end
#
# 23 HIS HA 21 TYR HE 5.50 (# 105:60 Unique 5.02, 7.73 A)
&rst
ixpk= 105, nxpk= 60, iat= 383, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 346, 351,
&end
#
# 36 LEU HG 106 TYR HE 3.50 (# 106:60 Unique 1.96, 4.00 A)
&rst
ixpk= 106, nxpk= 60, iat= 591, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1650,1655,
&end
#
# 104 VAL MGY 106 TYR HE 4.50 (# 107:60 Unique 2.34, 4.16 A)
&rst
ixpk= 107, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1611,1612,1613,1615,1616,1617,
igr2=1650,1655,
&end
#
# 84 TYR HB- 122 TYR HE 4.50 (# 109:60 Unique 2.08, 6.06 A)
&rst
ixpk= 109, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1293,1294,
igr2=1917,1922,
&end
#
# 64 LEU HB- 32 TYR HE 4.50 (# 110:60 Unique 3.41, 6.35 A)
&rst
ixpk= 110, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 977, 978,
igr2= 524, 529,
&end
#
# 0 AMB 60-2:112 74 TYR HE 5.50 (# 112:60 Single Ambig)
&rst
ixpk= 112, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1092,1093,1126,1127,
igr2=1132,1137,
&end
#
# 69 ALA MB 74 TYR HE 4.50 (# 114:60 Unique 2.44, 3.89 A)
&rst
ixpk= 114, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1064,1065,1066,
igr2=1132,1137,
&end
#
# 83 LYS HB+ 84 TYR HE 5.50 (# 115:60 Unique 2.46, 5.70 A)
&rst
ixpk= 115, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1271,1272,
igr2=1299,1304,
&end
#
# 84 TYR HA 84 TYR HE 5.50 (# 116:60 Unique 4.14, 5.75 A)
&rst
ixpk= 116, nxpk= 60, iat=1291, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1299,1304,
&end
#
# 80 HIS HB- 84 TYR HE 5.50 (# 117:60 Unique 1.97, 4.81 A)
&rst
ixpk= 117, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1230,1231,
igr2=1299,1304,
&end
#
# 83 LYS HD+ 84 TYR HE 5.50 (# 118:60 Unique 2.78, 5.45 A)
&rst
ixpk= 118, nxpk= 60, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1277,1278,
igr2=1299,1304,
&end
#
# 113 CYS HB+ 24 TRP HE3 5.50 (# 122:60 Unique 5.43, 6.21 A)
&rst
ixpk= 122, nxpk= 60, iat= -1, 417, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1760,1761,
&end
#
# 25 ALA HN 24 TRP HE3 3.50 (# 123:60 Unique 2.54, 2.59 A)
&rst
ixpk= 123, nxpk= 60, iat= 422, 417, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 TYR HB+ 74 TYR HA 4.50 (# 124:60 Unique 2.32, 2.46 A)
&rst
ixpk= 124, nxpk= 60, iat= -1,1124, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1126,1127,
&end
#
# 24 TRP HE1 24 TRP HZ2 4.50 (# 127:60 Unique 2.82, 2.82 A)
&rst
ixpk= 127, nxpk= 60, iat= 408, 411, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 LYS HB+ 35 HIS HD2 4.50 (# 128:60 Unique 3.09, 3.76 A)
&rst
ixpk= 128, nxpk= 60, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 918, 919,
&end
#
# 24 TRP HH2 24 TRP HZ2 3.50 (# 129:60 Unique 2.46, 2.46 A)
&rst
ixpk= 129, nxpk= 60, iat= 413, 411, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 HIS HN 35 HIS HD2 3.50 (# 130:60 Unique 1.95, 2.08 A)
&rst
ixpk= 130, nxpk= 60, iat= 567, 580, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 VAL MGY 35 HIS HD2 4.50 (# 131:60 Unique 4.10, 6.60 A)
&rst
ixpk= 131, nxpk= 60, iat= -1, 580, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 541, 542, 543, 545, 546, 547,
&end
#
# 79 LYS HD+ 24 TRP HZ2 4.50 (# 132:60 Unique 2.05, 3.84 A)
&rst
ixpk= 132, nxpk= 60, iat= -1, 411, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1214,1215,
&end
#
# 34 VAL HA 35 HIS HD2 4.50 (# 133:60 Unique 2.95, 3.12 A)
&rst
ixpk= 133, nxpk= 60, iat= 553, 580, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
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