NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
566602 |
2m5h   |
18548 | cing | 1-original | 5 | AMBER | distance | NOE | simple |
# 114 LEU HB- 115 GLU HN 6.00 (# 1:10 Unique 2.42, 3.99 A)
&rst
ixpk= 1, nxpk= 10, iat= -1,1477, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1=1462,1463,
&end
#
# 114 LEU HA 115 GLU HN 2.80 (# 2:10 Unique 2.12, 2.18 A)
&rst
ixpk= 2, nxpk= 10, iat=1460,1477, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 79 VAL HB 79 VAL HN 4.50 (# 3:10 Unique 2.39, 2.49 A)
&rst
ixpk= 3, nxpk= 10, iat= 869, 865, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 115 GLU HB- 115 GLU HN 4.50 (# 4:10 Unique 2.49, 3.17 A)
&rst
ixpk= 4, nxpk= 10, iat= -1,1477, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1481,1482,
&end
#
# 0 AMB 10-2:6 79 VAL HN 2.80 (# 6:10 Single Ambig)
&rst
ixpk= 6, nxpk= 10, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 855, 856, 857, 859, 860, 861, 871, 872, 873, 875,
876, 877,
&end
#
# 78 LEU HA 79 VAL HN 2.80 (# 7:10 Unique 2.13, 2.18 A)
&rst
ixpk= 7, nxpk= 10, iat= 848, 865, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 155 CYS HA 48 ARG HN 6.00 (# 8:10 Unique 2.70, 3.12 A)
&rst
ixpk= 8, nxpk= 10, iat=2107, 376, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 47 ILE HA 48 ARG HN 3.50 (# 9:10 Unique 2.14, 2.19 A)
&rst
ixpk= 9, nxpk= 10, iat= 359, 376, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:10 48 ARG HN 3.50 (# 10:10 Single Ambig)
&rst
ixpk= 10, nxpk= 10, iat= -1, 376, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 380, 381, 383, 384,
&end
#
# 0 AMB 10-2:11 48 ARG HN 3.50 (# 11:10 Single Ambig)
&rst
ixpk= 11, nxpk= 10, iat= -1, 376, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 380, 381, 383, 384,
&end
#
# 48 ARG HA 48 ARG HN 8.00 (# 13:10 Unique 2.92, 2.94 A)
&rst
ixpk= 13, nxpk= 10, iat= 378, 376, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 80 ILE HN 68 GLU HN 4.50 (# 14:10 Unique 3.14, 3.24 A)
&rst
ixpk= 14, nxpk= 10, iat= 881, 684, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:15 68 GLU HN 4.50 (# 15:10 Single Ambig)
&rst
ixpk= 15, nxpk= 10, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 691, 692, 672,
&end
#
# 67 VAL MGX 68 GLU HN 3.50 (# 16:10 Unique 2.57, 4.12 A)
&rst
ixpk= 16, nxpk= 10, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 67 VAL HA 68 GLU HN 2.80 (# 17:10 Unique 2.15, 2.18 A)
&rst
ixpk= 17, nxpk= 10, iat= 670, 684, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 68 GLU HA 68 GLU HN 4.50 (# 18:10 Unique 2.93, 2.96 A)
&rst
ixpk= 18, nxpk= 10, iat= 686, 684, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:19 68 GLU HN 4.50 (# 19:10 Single Ambig)
&rst
ixpk= 19, nxpk= 10, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 705, 706, 707, 709, 710, 711, 894, 895, 896,
&end
#
# 45 ARG HN 46 THR HN 4.50 (# 20:10 Unique 2.88, 3.46 A)
&rst
ixpk= 20, nxpk= 10, iat= 319, 343, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 ILE HN 46 THR HN 3.50 (# 21:10 Unique 2.60, 2.72 A)
&rst
ixpk= 21, nxpk= 10, iat= 357, 343, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 46 THR HA 46 THR HN 4.50 (# 22:10 Unique 2.24, 2.73 A)
&rst
ixpk= 22, nxpk= 10, iat= 345, 343, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:23 46 THR HN 4.50 (# 23:10 Single Ambig)
&rst
ixpk= 23, nxpk= 10, iat= -1, 343, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 326, 327, 323, 324,
&end
#
# 46 THR MG2 46 THR HN 2.80 (# 24:10 Unique 2.39, 3.44 A)
&rst
ixpk= 24, nxpk= 10, iat= -1, 343, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 349, 350, 351,
&end
#
# 68 GLU HN 80 ILE HN 4.50 (# 25:10 Unique 3.14, 3.24 A)
&rst
ixpk= 25, nxpk= 10, iat= 684, 881, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:26 80 ILE HN 4.50 (# 26:10 Single Ambig)
&rst
ixpk= 26, nxpk= 10, iat= -1, 881, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 701, 883,
&end
#
# 80 ILE HB 80 ILE HN 4.50 (# 27:10 Unique 2.48, 2.68 A)
&rst
ixpk= 27, nxpk= 10, iat= 885, 881, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 ILE HG1- 80 ILE HN 4.50 (# 28:10 Unique 2.65, 3.37 A)
&rst
ixpk= 28, nxpk= 10, iat= -1, 881, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 891, 892,
&end
#
# 80 ILE QG2 80 ILE HN 4.50 (# 29:10 Unique 4.21, 4.72 A)
&rst
ixpk= 29, nxpk= 10, iat= -1, 881, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 887, 888, 889,
&end
#
# 0 AMB 10-2:30 80 ILE HN 2.80 (# 30:10 Single Ambig)
&rst
ixpk= 30, nxpk= 10, iat= -1, 881, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 871, 872, 873, 875, 876, 877, 705, 706, 707, 709,
710, 711, 894, 895, 896,
&end
#
# 136 LYS HA 136 LYS HN 8.00 (# 31:10 Unique 2.77, 2.80 A)
&rst
ixpk= 31, nxpk= 10, iat=1801,1799, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 136 LYS HB- 136 LYS HN 4.50 (# 32:10 Unique 2.32, 2.67 A)
&rst
ixpk= 32, nxpk= 10, iat= -1,1799, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1803,1804,
&end
#
# 136 LYS HG- 136 LYS HN 6.00 (# 33:10 Unique 2.08, 3.88 A)
&rst
ixpk= 33, nxpk= 10, iat= -1,1799, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1806,1807,
&end
#
# 81 ILE QG2 82 ARG HN 3.50 (# 34:10 Unique 2.70, 3.52 A)
&rst
ixpk= 34, nxpk= 10, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 906, 907, 908,
&end
#
# 0 AMB 10-2:35 82 ARG HN 3.50 (# 35:10 Single Ambig)
&rst
ixpk= 35, nxpk= 10, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 926, 927, 923, 924,
&end
#
# 81 ILE HG1+ 82 ARG HN 6.00 (# 36:10 Unique 4.21, 5.12 A)
&rst
ixpk= 36, nxpk= 10, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 910, 911,
&end
#
# 0 AMB 10-2:37 82 ARG HN 6.00 (# 37:10 Single Ambig)
&rst
ixpk= 37, nxpk= 10, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 913, 914, 915, 313, 314, 315,
&end
#
# 81 ILE HA 82 ARG HN 2.80 (# 38:10 Unique 2.08, 2.14 A)
&rst
ixpk= 38, nxpk= 10, iat= 902, 919, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:39 82 ARG HN 4.50 (# 39:10 Single Ambig)
&rst
ixpk= 39, nxpk= 10, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 926, 927, 923, 924,
&end
#
# 81 ILE HG1- 81 ILE HN 4.50 (# 40:10 Unique 2.50, 3.50 A)
&rst
ixpk= 40, nxpk= 10, iat= -1, 900, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 910, 911,
&end
#
# 77 TYR HA 78 LEU HN 2.80 (# 41:10 Unique 2.19, 2.27 A)
&rst
ixpk= 41, nxpk= 10, iat= 827, 846, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:42 78 LEU HN 3.50 (# 42:10 Single Ambig)
&rst
ixpk= 42, nxpk= 10, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 850, 851, 757, 758,
&end
#
# 0 AMB 10-2:43 78 LEU HN 4.50 (# 43:10 Single Ambig)
&rst
ixpk= 43, nxpk= 10, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 871, 872, 873, 875, 876, 877, 855, 856, 857, 859,
860, 861,
&end
#
# 80 ILE HA 81 ILE HN 2.80 (# 44:10 Unique 2.13, 2.19 A)
&rst
ixpk= 44, nxpk= 10, iat= 883, 900, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:45 81 ILE HN 4.50 (# 45:10 Single Ambig)
&rst
ixpk= 45, nxpk= 10, iat= -1, 900, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1494, 902,
&end
#
# 81 ILE HG1+ 81 ILE HN 4.50 (# 46:10 Unique 2.50, 3.50 A)
&rst
ixpk= 46, nxpk= 10, iat= -1, 900, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 910, 911,
&end
#
# 81 ILE HB 81 ILE HN 3.50 (# 47:10 Unique 2.67, 2.84 A)
&rst
ixpk= 47, nxpk= 10, iat= 904, 900, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 78 LEU HB- 78 LEU HN 4.50 (# 48:10 Unique 2.31, 2.66 A)
&rst
ixpk= 48, nxpk= 10, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 850, 851,
&end
#
# 77 TYR HB+ 78 LEU HN 6.00 (# 49:10 Unique 2.50, 3.26 A)
&rst
ixpk= 49, nxpk= 10, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 829, 830,
&end
#
# 0 AMB 10-2:50 114 LEU HN 3.50 (# 50:10 Single Ambig)
&rst
ixpk= 50, nxpk= 10, iat= -1,1458, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1462,1463,1440,1441,
&end
#
# 113 LYS HB- 114 LEU HN 6.00 (# 51:10 Unique 2.82, 4.05 A)
&rst
ixpk= 51, nxpk= 10, iat= -1,1458, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1440,1441,
&end
#
# 0 AMB 10-2:52 114 LEU HN 4.50 (# 52:10 Single Ambig)
&rst
ixpk= 52, nxpk= 10, iat= -1,1458, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1462,1463,1443,1444,
&end
#
# 114 LEU MDY 114 LEU HN 4.50 (# 53:10 Unique 2.19, 4.71 A)
&rst
ixpk= 53, nxpk= 10, iat= -1,1458, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1467,1468,1469,1471,1472,1473,
&end
#
# 113 LYS HA 114 LEU HN 2.80 (# 54:10 Unique 2.19, 2.26 A)
&rst
ixpk= 54, nxpk= 10, iat=1438,1458, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:55 114 LEU HN 4.50 (# 55:10 Single Ambig)
&rst
ixpk= 55, nxpk= 10, iat= -1,1458, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1465, 855, 856, 857, 859, 860, 861,
&end
#
# 71 GLU HA 71 GLU HN 4.50 (# 57:10 Unique 2.82, 2.92 A)
&rst
ixpk= 57, nxpk= 10, iat= 734, 732, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 120 GLU HB- 120 GLU HN 4.50 (# 58:10 Unique 2.31, 3.38 A)
&rst
ixpk= 58, nxpk= 10, iat= -1,1562, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1566,1567,
&end
#
# 119 SER HA 120 GLU HN 4.50 (# 59:10 Unique 2.15, 2.62 A)
&rst
ixpk= 59, nxpk= 10, iat=1553,1562, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 158 GLU HA 158 GLU HN 4.50 (# 60:10 Unique 2.77, 2.90 A)
&rst
ixpk= 60, nxpk= 10, iat=2153,2151, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 157 LEU HA 158 GLU HN 2.80 (# 61:10 Unique 2.06, 2.22 A)
&rst
ixpk= 61, nxpk= 10, iat=2134,2151, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:62 158 GLU HN 3.50 (# 62:10 Single Ambig)
&rst
ixpk= 62, nxpk= 10, iat= -1,2151, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2158,2159,2158,2159,
&end
#
# 158 GLU HB+ 158 GLU HN 3.50 (# 63:10 Unique 2.25, 3.13 A)
&rst
ixpk= 63, nxpk= 10, iat= -1,2151, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2155,2156,
&end
#
# 158 GLU HB- 158 GLU HN 2.80 (# 64:10 Unique 2.25, 3.13 A)
&rst
ixpk= 64, nxpk= 10, iat= -1,2151, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2155,2156,
&end
#
# 157 LEU HB+ 158 GLU HN 4.50 (# 65:10 Unique 2.29, 3.44 A)
&rst
ixpk= 65, nxpk= 10, iat= -1,2151, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2136,2137,
&end
#
# 157 LEU HB- 158 GLU HN 4.50 (# 66:10 Unique 2.29, 3.44 A)
&rst
ixpk= 66, nxpk= 10, iat= -1,2151, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2136,2137,
&end
#
# 157 LEU MDY 158 GLU HN 2.80 (# 67:10 Unique 2.52, 4.68 A)
&rst
ixpk= 67, nxpk= 10, iat= -1,2151, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2141,2142,2143,2145,2146,2147,
&end
#
# 73 ASN HN 72 ILE HN 3.50 (# 68:10 Unique 1.91, 2.08 A)
&rst
ixpk= 68, nxpk= 10, iat= 766, 747, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 TYR HA 72 ILE HN 4.50 (# 69:10 Unique 2.02, 2.18 A)
&rst
ixpk= 69, nxpk= 10, iat= 827, 747, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 GLU HG- 72 ILE HN 4.50 (# 70:10 Unique 2.55, 3.37 A)
&rst
ixpk= 70, nxpk= 10, iat= -1, 747, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 739, 740,
&end
#
# 72 ILE HB 72 ILE HN 4.50 (# 71:10 Unique 2.48, 2.56 A)
&rst
ixpk= 71, nxpk= 10, iat= 751, 747, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 72 ILE HA 72 ILE HN 3.50 (# 72:10 Unique 2.96, 2.99 A)
&rst
ixpk= 72, nxpk= 10, iat= 749, 747, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 ILE HG1- 72 ILE HN 6.00 (# 73:10 Unique 2.30, 3.32 A)
&rst
ixpk= 73, nxpk= 10, iat= -1, 747, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 757, 758,
&end
#
# 72 ILE HG1+ 72 ILE HN 6.00 (# 74:10 Unique 2.30, 3.32 A)
&rst
ixpk= 74, nxpk= 10, iat= -1, 747, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 757, 758,
&end
#
# 72 ILE QG2 72 ILE HN 4.50 (# 75:10 Unique 4.33, 4.65 A)
&rst
ixpk= 75, nxpk= 10, iat= -1, 747, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 753, 754, 755,
&end
#
# 72 ILE QD1 72 ILE HN 6.00 (# 76:10 Unique 4.02, 4.72 A)
&rst
ixpk= 76, nxpk= 10, iat= -1, 747, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 760, 761, 762,
&end
#
# 70 GLN HA 71 GLU HN 2.80 (# 77:10 Unique 2.16, 2.32 A)
&rst
ixpk= 77, nxpk= 10, iat= 717, 732, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:78 71 GLU HN 4.50 (# 78:10 Single Ambig)
&rst
ixpk= 78, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 739, 740, 719, 720,
&end
#
# 0 AMB 10-2:79 71 GLU HN 2.80 (# 79:10 Single Ambig)
&rst
ixpk= 79, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 736, 737, 719, 720,
&end
#
# 0 AMB 10-2:80 47 ILE HN 4.50 (# 80:10 Single Ambig)
&rst
ixpk= 80, nxpk= 10, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 345, 302,
&end
#
# 47 ILE HA 47 ILE HN 4.50 (# 81:10 Unique 2.88, 2.90 A)
&rst
ixpk= 81, nxpk= 10, iat= 359, 357, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:82 47 ILE HN 3.50 (# 82:10 Single Ambig)
&rst
ixpk= 82, nxpk= 10, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 367, 368, 367, 368,
&end
#
# 46 THR HN 47 ILE HN 4.50 (# 83:10 Unique 2.60, 2.72 A)
&rst
ixpk= 83, nxpk= 10, iat= 343, 357, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 ILE HB 47 ILE HN 3.50 (# 84:10 Unique 2.29, 2.37 A)
&rst
ixpk= 84, nxpk= 10, iat= 361, 357, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 110 PHE HA 111 LYS HN 3.50 (# 86:10 Unique 2.11, 2.40 A)
&rst
ixpk= 86, nxpk= 10, iat=1379,1397, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 LYS HA 111 LYS HN 4.50 (# 87:10 Unique 2.23, 2.84 A)
&rst
ixpk= 87, nxpk= 10, iat=1399,1397, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 110 PHE HB+ 111 LYS HN 6.00 (# 88:10 Unique 2.29, 3.28 A)
&rst
ixpk= 88, nxpk= 10, iat= -1,1397, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1381,1382,
&end
#
# 110 PHE HB- 111 LYS HN 4.50 (# 89:10 Unique 2.29, 3.28 A)
&rst
ixpk= 89, nxpk= 10, iat= -1,1397, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1381,1382,
&end
#
# 111 LYS HB+ 111 LYS HN 3.50 (# 90:10 Unique 2.26, 3.01 A)
&rst
ixpk= 90, nxpk= 10, iat= -1,1397, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1401,1402,
&end
#
# 111 LYS HG+ 111 LYS HN 4.50 (# 91:10 Unique 2.00, 3.21 A)
&rst
ixpk= 91, nxpk= 10, iat= -1,1397, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1404,1405,
&end
#
# 78 LEU HN 70 GLN HN 4.50 (# 92:10 Unique 2.95, 3.13 A)
&rst
ixpk= 92, nxpk= 10, iat= 846, 715, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 VAL HA 70 GLN HN 2.80 (# 93:10 Unique 2.10, 2.18 A)
&rst
ixpk= 93, nxpk= 10, iat= 701, 715, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 70 GLN HA 70 GLN HN 4.50 (# 94:10 Unique 2.97, 3.00 A)
&rst
ixpk= 94, nxpk= 10, iat= 717, 715, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:95 70 GLN HN 4.50 (# 95:10 Single Ambig)
&rst
ixpk= 95, nxpk= 10, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 719, 720, 130, 131, 132,
&end
#
# 0 AMB 10-2:96 70 GLN HN 3.50 (# 96:10 Single Ambig)
&rst
ixpk= 96, nxpk= 10, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 705, 706, 707, 709, 710, 711, 894, 895, 896,
&end
#
# 70 GLN HB- 70 GLN HN 4.50 (# 97:10 Unique 2.56, 3.21 A)
&rst
ixpk= 97, nxpk= 10, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 719, 720,
&end
#
# 69 VAL HA 69 VAL HN 4.50 (# 98:10 Unique 2.85, 2.93 A)
&rst
ixpk= 98, nxpk= 10, iat= 701, 699, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 68 GLU HG+ 69 VAL HN 4.50 (# 99:10 Unique 2.24, 3.25 A)
&rst
ixpk= 99, nxpk= 10, iat= -1, 699, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 691, 692,
&end
#
# 0 AMB 10-2:100 69 VAL HN 2.80 (# 100:10 Single Ambig)
&rst
ixpk= 100, nxpk= 10, iat= -1, 699, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 688, 689, 688, 689, 703,
&end
#
# 52 LYS HA 52 LYS HN 6.00 (# 101:10 Unique 2.89, 2.92 A)
&rst
ixpk= 101, nxpk= 10, iat= 443, 441, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 51 GLU HN 52 LYS HN 3.50 (# 102:10 Unique 2.02, 2.16 A)
&rst
ixpk= 102, nxpk= 10, iat= 426, 441, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 51 GLU HA 52 LYS HN 8.00 (# 103:10 Unique 3.36, 3.61 A)
&rst
ixpk= 103, nxpk= 10, iat= 428, 441, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:104 52 LYS HN 4.50 (# 104:10 Single Ambig)
&rst
ixpk= 104, nxpk= 10, iat= -1, 441, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 445, 446, 451, 452,
&end
#
# 51 GLU HB+ 52 LYS HN 6.00 (# 105:10 Unique 2.40, 3.19 A)
&rst
ixpk= 105, nxpk= 10, iat= -1, 441, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 430, 431,
&end
#
# 68 GLU HA 69 VAL HN 2.80 (# 106:10 Unique 2.29, 2.34 A)
&rst
ixpk= 106, nxpk= 10, iat= 686, 699, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:107 69 VAL HN 4.50 (# 107:10 Single Ambig)
&rst
ixpk= 107, nxpk= 10, iat= -1, 699, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1= 192, 193, 194, 110, 111,
&end
#
# 0 AMB 10-2:108 69 VAL HN 3.50 (# 108:10 Single Ambig)
&rst
ixpk= 108, nxpk= 10, iat= -1, 699, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 705, 706, 707, 709, 710, 711, 113, 114, 115,
&end
#
# 52 LYS HG+ 52 LYS HN 6.00 (# 109:10 Unique 2.20, 3.25 A)
&rst
ixpk= 109, nxpk= 10, iat= -1, 441, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 448, 449,
&end
#
# 63 SER HB- 64 GLU HN 4.50 (# 110:10 Unique 2.37, 3.51 A)
&rst
ixpk= 110, nxpk= 10, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 624, 625,
&end
#
# 63 SER HB+ 64 GLU HN 4.50 (# 111:10 Unique 2.37, 3.51 A)
&rst
ixpk= 111, nxpk= 10, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 624, 625,
&end
#
# 64 GLU HG+ 64 GLU HN 6.00 (# 112:10 Unique 2.17, 3.63 A)
&rst
ixpk= 112, nxpk= 10, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 638, 639,
&end
#
# 64 GLU HB+ 64 GLU HN 2.80 (# 113:10 Unique 2.29, 2.83 A)
&rst
ixpk= 113, nxpk= 10, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 635, 636,
&end
#
# 63 SER HA 64 GLU HN 3.50 (# 114:10 Unique 2.33, 2.50 A)
&rst
ixpk= 114, nxpk= 10, iat= 622, 631, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 GLU HA 64 GLU HN 4.50 (# 115:10 Unique 2.75, 2.83 A)
&rst
ixpk= 115, nxpk= 10, iat= 633, 631, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 SER HN 64 GLU HN 6.00 (# 116:10 Unique 2.65, 2.86 A)
&rst
ixpk= 116, nxpk= 10, iat= 646, 631, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 64 GLU HG- 64 GLU HN 4.50 (# 117:10 Unique 2.17, 3.63 A)
&rst
ixpk= 117, nxpk= 10, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 638, 639,
&end
#
# 29 GLN HA 29 GLN HN 4.50 (# 118:10 Unique 2.24, 2.90 A)
&rst
ixpk= 118, nxpk= 10, iat= 47, 45, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 28 ARG HA 0 AMB 10-1:119 3.50 (# 119:10 Single Ambig)
&rst
ixpk= 119, nxpk= 10, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 45, 21,
&end
#
# 0 AMB 10-2:120 0 AMB 10-1:120 6.00 (# 120:10 Double Ambig)
&rst
ixpk= 120, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 8, 9, 49, 50,
igr2= 21, 45,
&end
#
# 33 MET HA 34 GLU HN 4.50 (# 121:10 Unique 2.25, 2.47 A)
&rst
ixpk= 121, nxpk= 10, iat= 121, 136, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 GLU HA 34 GLU HN 3.50 (# 122:10 Unique 2.72, 2.78 A)
&rst
ixpk= 122, nxpk= 10, iat= 138, 136, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 34 GLU HG+ 34 GLU HN 4.50 (# 123:10 Unique 2.30, 4.00 A)
&rst
ixpk= 123, nxpk= 10, iat= -1, 136, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 143, 144,
&end
#
# 34 GLU HB+ 34 GLU HN 2.80 (# 124:10 Unique 2.29, 2.68 A)
&rst
ixpk= 124, nxpk= 10, iat= -1, 136, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 140, 141,
&end
#
# 57 GLU HN 58 GLU HN 6.00 (# 125:10 Unique 2.49, 2.65 A)
&rst
ixpk= 125, nxpk= 10, iat= 524, 539, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 59 LEU HN 58 GLU HN 4.50 (# 126:10 Unique 2.47, 2.68 A)
&rst
ixpk= 126, nxpk= 10, iat= 554, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 GLU HA 58 GLU HN 4.50 (# 127:10 Unique 2.85, 2.88 A)
&rst
ixpk= 127, nxpk= 10, iat= 541, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 GLU HG- 58 GLU HN 4.50 (# 128:10 Unique 2.33, 3.36 A)
&rst
ixpk= 128, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 546, 547,
&end
#
# 0 AMB 10-2:129 58 GLU HN 4.50 (# 129:10 Single Ambig)
&rst
ixpk= 129, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 546, 547, 531, 532, 531, 532,
&end
#
# 0 AMB 10-2:130 58 GLU HN 4.50 (# 130:10 Single Ambig)
&rst
ixpk= 130, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 543, 544, 528, 529,
&end
#
# 54 ASN HN 49 ASP HN 8.00 (# 132:10 Unique 4.51, 4.53 A)
&rst
ixpk= 132, nxpk= 10, iat= 477, 400, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:133 49 ASP HN 2.80 (# 133:10 Single Ambig)
&rst
ixpk= 133, nxpk= 10, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 383, 384, 380, 381,
&end
#
# 156 VAL HA 157 LEU HN 4.50 (# 134:10 Unique 3.47, 3.51 A)
&rst
ixpk= 134, nxpk= 10, iat=2118,2132, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 156 VAL HN 157 LEU HN 3.50 (# 135:10 Unique 2.37, 2.60 A)
&rst
ixpk= 135, nxpk= 10, iat=2116,2132, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 153 GLU HA 157 LEU HN 4.50 (# 136:10 Unique 3.82, 4.26 A)
&rst
ixpk= 136, nxpk= 10, iat=2075,2132, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 157 LEU HB- 157 LEU HN 3.50 (# 137:10 Unique 2.16, 2.91 A)
&rst
ixpk= 137, nxpk= 10, iat= -1,2132, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2136,2137,
&end
#
# 157 LEU MDY 157 LEU HN 3.50 (# 138:10 Unique 3.64, 4.65 A)
&rst
ixpk= 138, nxpk= 10, iat= -1,2132, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2141,2142,2143,2145,2146,2147,
&end
#
# 158 GLU HN 157 LEU HN 6.00 (# 139:10 Unique 4.50, 4.61 A)
&rst
ixpk= 139, nxpk= 10, iat=2151,2132, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 157 LEU HG 157 LEU HN 2.80 (# 140:10 Unique 2.67, 2.78 A)
&rst
ixpk= 140, nxpk= 10, iat=2139,2132, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 157 LEU HB+ 157 LEU HN 2.80 (# 141:10 Unique 2.16, 2.91 A)
&rst
ixpk= 141, nxpk= 10, iat= -1,2132, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2136,2137,
&end
#
# 156 VAL MGY 157 LEU HN 6.00 (# 142:10 Unique 2.63, 4.43 A)
&rst
ixpk= 142, nxpk= 10, iat= -1,2132, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=2122,2123,2124,2126,2127,2128,
&end
#
# 156 VAL HB 157 LEU HN 6.00 (# 143:10 Unique 2.92, 3.99 A)
&rst
ixpk= 143, nxpk= 10, iat=2120,2132, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 56 LEU MDX 49 ASP HN 4.50 (# 144:10 Unique 3.17, 5.51 A)
&rst
ixpk= 144, nxpk= 10, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 514, 515, 516, 518, 519, 520,
&end
#
# 55 THR HA 49 ASP HN 4.50 (# 145:10 Unique 2.94, 3.29 A)
&rst
ixpk= 145, nxpk= 10, iat= 493, 400, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 ASP HA 49 ASP HN 4.50 (# 146:10 Unique 2.87, 2.90 A)
&rst
ixpk= 146, nxpk= 10, iat= 402, 400, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 48 ARG HA 49 ASP HN 3.50 (# 147:10 Unique 2.23, 2.32 A)
&rst
ixpk= 147, nxpk= 10, iat= 378, 400, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 ASP HB+ 49 ASP HN 4.50 (# 149:10 Unique 2.30, 2.50 A)
&rst
ixpk= 149, nxpk= 10, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 404, 405,
&end
#
# 0 AMB 10-2:150 49 ASP HN 4.50 (# 150:10 Single Ambig)
&rst
ixpk= 150, nxpk= 10, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 383, 384, 380, 381,
&end
#
# 0 AMB 10-2:151 95 LEU HN 8.00 (# 151:10 Single Ambig)
&rst
ixpk= 151, nxpk= 10, iat= -1,1117, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1076,1065,
&end
#
# 108 LEU HB+ 108 LEU HN 4.50 (# 152:10 Unique 2.26, 2.89 A)
&rst
ixpk= 152, nxpk= 10, iat= -1,1344, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1348,1349,
&end
#
# 108 LEU MDX 108 LEU HN 4.50 (# 153:10 Unique 2.71, 4.76 A)
&rst
ixpk= 153, nxpk= 10, iat= -1,1344, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 107 CYS HN 108 LEU HN 2.80 (# 154:10 Unique 2.47, 2.64 A)
&rst
ixpk= 154, nxpk= 10, iat=1333,1344, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 108 LEU HA 108 LEU HN 4.50 (# 155:10 Unique 2.86, 2.93 A)
&rst
ixpk= 155, nxpk= 10, iat=1346,1344, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 104 LEU HA 108 LEU HN 4.50 (# 156:10 Unique 2.91, 3.34 A)
&rst
ixpk= 156, nxpk= 10, iat=1275,1344, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 108 LEU HG 108 LEU HN 6.00 (# 157:10 Unique 2.48, 3.38 A)
&rst
ixpk= 157, nxpk= 10, iat=1351,1344, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:158 108 LEU HN 4.50 (# 158:10 Single Ambig)
&rst
ixpk= 158, nxpk= 10, iat= -1,1344, r1= 0.00, r2= 1.80, r3= 6.90, r4= 7.65,
igr1=1282,1283,1284,1286,1287,1288,1282,1283,1284,1286,
1287,1288, 288,
&end
#
# 108 LEU HB- 108 LEU HN 4.50 (# 159:10 Unique 2.26, 2.89 A)
&rst
ixpk= 159, nxpk= 10, iat= -1,1344, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1348,1349,
&end
#
# 108 LEU MDY 108 LEU HN 4.50 (# 160:10 Unique 2.71, 4.76 A)
&rst
ixpk= 160, nxpk= 10, iat= -1,1344, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 118 ILE QG2 119 SER HN 6.00 (# 161:10 Unique 2.64, 4.58 A)
&rst
ixpk= 161, nxpk= 10, iat= -1,1551, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1538,1539,1540,
&end
#
# 118 ILE HA 119 SER HN 3.50 (# 162:10 Unique 2.21, 2.38 A)
&rst
ixpk= 162, nxpk= 10, iat=1534,1551, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:163 119 SER HN 4.50 (# 163:10 Single Ambig)
&rst
ixpk= 163, nxpk= 10, iat= -1,1551, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1555,1556,1555,1556,
&end
#
# 118 ILE HG1- 119 SER HN 6.00 (# 164:10 Unique 1.73, 3.12 A)
&rst
ixpk= 164, nxpk= 10, iat= -1,1551, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1542,1543,
&end
#
# 94 THR HN 95 LEU HN 4.50 (# 165:10 Unique 2.62, 2.73 A)
&rst
ixpk= 165, nxpk= 10, iat=1103,1117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 THR HB 95 LEU HN 4.50 (# 166:10 Unique 2.48, 3.10 A)
&rst
ixpk= 166, nxpk= 10, iat=1107,1117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 LEU HA 95 LEU HN 4.50 (# 167:10 Unique 2.80, 2.85 A)
&rst
ixpk= 167, nxpk= 10, iat=1119,1117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 LEU HB+ 95 LEU HN 3.50 (# 168:10 Unique 2.19, 2.80 A)
&rst
ixpk= 168, nxpk= 10, iat= -1,1117, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1121,1122,
&end
#
# 95 LEU HG 95 LEU HN 4.50 (# 169:10 Unique 2.17, 3.60 A)
&rst
ixpk= 169, nxpk= 10, iat=1124,1117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 LEU HB- 95 LEU HN 3.50 (# 170:10 Unique 2.19, 2.80 A)
&rst
ixpk= 170, nxpk= 10, iat= -1,1117, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1121,1122,
&end
#
# 96 ILE HN 95 LEU HN 4.50 (# 171:10 Unique 2.65, 2.81 A)
&rst
ixpk= 171, nxpk= 10, iat=1136,1117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 LEU MDY 95 LEU HN 4.50 (# 172:10 Unique 2.19, 4.36 A)
&rst
ixpk= 172, nxpk= 10, iat= -1,1117, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1126,1127,1128,1130,1131,1132,
&end
#
# 0 AMB 10-2:173 139 VAL HN 6.00 (# 173:10 Single Ambig)
&rst
ixpk= 173, nxpk= 10, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1838,1823,
&end
#
# 139 VAL HA 139 VAL HN 4.50 (# 174:10 Unique 2.84, 2.87 A)
&rst
ixpk= 174, nxpk= 10, iat=1862,1860, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:175 119 SER HN 6.00 (# 175:10 Single Ambig)
&rst
ixpk= 175, nxpk= 10, iat= -1,1551, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1688,1689,1690,1767,1768,1769,
&end
#
# 33 MET HA 33 MET HN 4.50 (# 176:10 Unique 2.90, 2.95 A)
&rst
ixpk= 176, nxpk= 10, iat= 121, 119, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 ILE HA 33 MET HN 3.50 (# 177:10 Unique 2.06, 2.14 A)
&rst
ixpk= 177, nxpk= 10, iat= 102, 119, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:178 33 MET HN 6.00 (# 178:10 Single Ambig)
&rst
ixpk= 178, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 736, 737, 703, 104,
&end
#
# 33 MET HG+ 33 MET HN 6.00 (# 179:10 Unique 2.24, 3.31 A)
&rst
ixpk= 179, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 126, 127,
&end
#
# 32 ILE QG2 33 MET HN 4.50 (# 180:10 Unique 2.54, 3.70 A)
&rst
ixpk= 180, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 106, 107, 108,
&end
#
# 138 ARG HN 139 VAL HN 3.50 (# 181:10 Unique 2.68, 2.78 A)
&rst
ixpk= 181, nxpk= 10, iat=1836,1860, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 138 ARG HB+ 139 VAL HN 6.00 (# 182:10 Unique 2.58, 3.17 A)
&rst
ixpk= 182, nxpk= 10, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1840,1841,
&end
#
# 139 VAL HB 139 VAL HN 2.80 (# 183:10 Unique 2.35, 2.44 A)
&rst
ixpk= 183, nxpk= 10, iat=1864,1860, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:184 139 VAL HN 4.50 (# 184:10 Single Ambig)
&rst
ixpk= 184, nxpk= 10, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1880,1881,1882,1890,1891,1892,1900,1901,1902,
&end
#
# 139 VAL MGX 139 VAL HN 3.50 (# 185:10 Unique 2.22, 3.93 A)
&rst
ixpk= 185, nxpk= 10, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1866,1867,1868,1870,1871,1872,
&end
#
# 140 ALA HN 139 VAL HN 4.50 (# 186:10 Unique 2.79, 2.87 A)
&rst
ixpk= 186, nxpk= 10, iat=1876,1860, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 136 LYS HA 139 VAL HN 6.00 (# 187:10 Unique 3.34, 3.54 A)
&rst
ixpk= 187, nxpk= 10, iat=1801,1860, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 161 GLN HN 162 LEU HN 2.80 (# 189:10 Unique 2.32, 2.74 A)
&rst
ixpk= 189, nxpk= 10, iat=2192,2209, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 162 LEU HA 162 LEU HN 2.80 (# 190:10 Unique 2.21, 2.52 A)
&rst
ixpk= 190, nxpk= 10, iat=2211,2209, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 162 LEU HB- 162 LEU HN 3.50 (# 191:10 Unique 2.48, 3.51 A)
&rst
ixpk= 191, nxpk= 10, iat= -1,2209, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2213,2214,
&end
#
# 162 LEU MDY 162 LEU HN 6.00 (# 192:10 Unique 1.69, 4.37 A)
&rst
ixpk= 192, nxpk= 10, iat= -1,2209, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=2218,2219,2220,2222,2223,2224,
&end
#
# 0 AMB 10-2:193 142 ALA HN 3.50 (# 193:10 Single Ambig)
&rst
ixpk= 193, nxpk= 10, iat= -1,1896, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1898,1838,
&end
#
# 141 ALA HN 142 ALA HN 2.80 (# 194:10 Unique 2.82, 2.84 A)
&rst
ixpk= 194, nxpk= 10, iat=1886,1896, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 143 MET HN 142 ALA HN 2.80 (# 195:10 Unique 2.74, 2.78 A)
&rst
ixpk= 195, nxpk= 10, iat=1906,1896, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:196 142 ALA HN 2.80 (# 196:10 Single Ambig)
&rst
ixpk= 196, nxpk= 10, iat= -1,1896, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1900,1901,1902,1890,1891,1892,
&end
#
# 133 ILE HN 135 ASP HN 6.00 (# 197:10 Unique 4.15, 4.37 A)
&rst
ixpk= 197, nxpk= 10, iat=1754,1787, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 134 ASN HN 135 ASP HN 3.50 (# 198:10 Unique 2.27, 2.50 A)
&rst
ixpk= 198, nxpk= 10, iat=1773,1787, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 135 ASP HB+ 135 ASP HN 3.50 (# 199:10 Unique 2.37, 2.54 A)
&rst
ixpk= 199, nxpk= 10, iat= -1,1787, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1791,1792,
&end
#
# 31 ARG HA 32 ILE HN 3.50 (# 200:10 Unique 2.13, 2.68 A)
&rst
ixpk= 200, nxpk= 10, iat= 78, 100, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 ILE HA 32 ILE HN 4.50 (# 201:10 Unique 2.20, 2.79 A)
&rst
ixpk= 201, nxpk= 10, iat= 102, 100, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 ARG HG- 32 ILE HN 8.00 (# 202:10 Unique 2.54, 4.63 A)
&rst
ixpk= 202, nxpk= 10, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 83, 84,
&end
#
# 32 ILE HG1+ 32 ILE HN 4.50 (# 203:10 Unique 2.24, 3.72 A)
&rst
ixpk= 203, nxpk= 10, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 110, 111,
&end
#
# 77 TYR HB- 77 TYR HN 4.50 (# 204:10 Unique 2.58, 3.38 A)
&rst
ixpk= 204, nxpk= 10, iat= -1, 825, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 829, 830,
&end
#
# 77 TYR HD 77 TYR HN 4.50 (# 205:10 Unique 2.59, 3.97 A)
&rst
ixpk= 205, nxpk= 10, iat= -1, 825, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 833, 842,
&end
#
# 112 HIS HA 77 TYR HN 4.50 (# 206:10 Unique 2.33, 2.90 A)
&rst
ixpk= 206, nxpk= 10, iat=1421, 825, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 76 GLU HA 77 TYR HN 2.80 (# 207:10 Unique 2.14, 2.20 A)
&rst
ixpk= 207, nxpk= 10, iat= 812, 825, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 161 GLN HB+ 162 LEU HN 4.50 (# 208:10 Unique 1.79, 3.25 A)
&rst
ixpk= 208, nxpk= 10, iat= -1,2209, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2196,2197,
&end
#
# 0 AMB 10-2:209 0 AMB 10-1:209 3.50 (# 209:10 Double Ambig)
&rst
ixpk= 209, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2196,2197, 817, 818,
igr2=2209, 825,
&end
#
# 135 ASP HB- 135 ASP HN 3.50 (# 210:10 Unique 2.37, 2.54 A)
&rst
ixpk= 210, nxpk= 10, iat= -1,1787, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1791,1792,
&end
#
# 139 VAL MGY 135 ASP HN 6.00 (# 211:10 Unique 3.31, 6.33 A)
&rst
ixpk= 211, nxpk= 10, iat= -1,1787, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1866,1867,1868,1870,1871,1872,
&end
#
# 92 LEU HG 93 ALA HN 6.00 (# 212:10 Unique 4.35, 4.71 A)
&rst
ixpk= 212, nxpk= 10, iat=1081,1093, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 98 LEU HA 98 LEU HN 4.50 (# 213:10 Unique 2.79, 2.87 A)
&rst
ixpk= 213, nxpk= 10, iat=1164,1162, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:214 98 LEU HN 2.80 (# 214:10 Single Ambig)
&rst
ixpk= 214, nxpk= 10, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1155,1181,
&end
#
# 0 AMB 10-2:215 0 AMB 10-1:215 2.80 (# 215:10 Double Ambig)
&rst
ixpk= 215, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1701,1860,
igr2=1682,1836,
&end
#
# 137 GLU HN 138 ARG HN 3.50 (# 216:10 Unique 2.46, 2.62 A)
&rst
ixpk= 216, nxpk= 10, iat=1821,1836, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 138 ARG HA 138 ARG HN 3.50 (# 217:10 Unique 2.86, 2.88 A)
&rst
ixpk= 217, nxpk= 10, iat=1838,1836, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:218 0 AMB 10-1:218 2.80 (# 218:10 Double Ambig)
&rst
ixpk= 218, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1840,1841,1644,1645,1825,1826,
igr2=1836,1640,
&end
#
# 129 ILE HB 129 ILE HN 3.50 (# 219:10 Unique 2.38, 2.62 A)
&rst
ixpk= 219, nxpk= 10, iat=1686,1682, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 128 ASP HA 129 ILE HN 4.50 (# 220:10 Unique 3.52, 3.55 A)
&rst
ixpk= 220, nxpk= 10, iat=1672,1682, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 129 ILE HA 129 ILE HN 4.50 (# 221:10 Unique 2.88, 2.91 A)
&rst
ixpk= 221, nxpk= 10, iat=1684,1682, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:222 0 AMB 10-1:222 6.00 (# 222:10 Double Ambig)
&rst
ixpk= 222, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.89, r4=10.64,
igr1=1806,1807,1890,1891,1892,1722,1723,1097,1098,1099,
igr2=1836,1682,
&end
#
# 144 GLU HN 145 ASN HN 2.80 (# 223:10 Unique 2.56, 2.69 A)
&rst
ixpk= 223, nxpk= 10, iat=1923,1938, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 145 ASN HA 145 ASN HN 3.50 (# 224:10 Unique 2.80, 2.84 A)
&rst
ixpk= 224, nxpk= 10, iat=1940,1938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 144 GLU HA 145 ASN HN 4.50 (# 225:10 Unique 3.55, 3.60 A)
&rst
ixpk= 225, nxpk= 10, iat=1925,1938, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 145 ASN HB+ 145 ASN HN 2.80 (# 226:10 Unique 2.28, 2.51 A)
&rst
ixpk= 226, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1942,1943,
&end
#
# 145 ASN HB- 145 ASN HN 3.50 (# 227:10 Unique 2.28, 2.51 A)
&rst
ixpk= 227, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1942,1943,
&end
#
# 144 GLU HB+ 145 ASN HN 6.00 (# 228:10 Unique 2.58, 3.27 A)
&rst
ixpk= 228, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1927,1928,
&end
#
# 144 GLU HB- 145 ASN HN 4.50 (# 229:10 Unique 2.58, 3.27 A)
&rst
ixpk= 229, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1927,1928,
&end
#
# 116 ILE HA 117 TYR HN 2.80 (# 230:10 Unique 2.04, 2.16 A)
&rst
ixpk= 230, nxpk= 10, iat=1494,1511, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:231 31 ARG HN 4.50 (# 231:10 Single Ambig)
&rst
ixpk= 231, nxpk= 10, iat= -1, 76, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 80, 81, 69, 70,
&end
#
# 31 ARG HG+ 31 ARG HN 6.00 (# 232:10 Unique 2.16, 3.40 A)
&rst
ixpk= 232, nxpk= 10, iat= -1, 76, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 83, 84,
&end
#
# 30 PRO HA 31 ARG HN 3.50 (# 233:10 Unique 2.16, 2.47 A)
&rst
ixpk= 233, nxpk= 10, iat= 72, 76, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:234 129 ILE HN 4.50 (# 234:10 Single Ambig)
&rst
ixpk= 234, nxpk= 10, iat= -1,1682, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1674,1675,1674,1675,
&end
#
# 129 ILE QG2 129 ILE HN 4.50 (# 235:10 Preassigned 4.39, 4.63 A)
&rst
ixpk= 235, nxpk= 10, iat= -1,1682, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1688,1689,1690,
&end
#
# 38 LEU HN 37 ALA HN 2.80 (# 236:10 Unique 2.76, 2.80 A)
&rst
ixpk= 236, nxpk= 10, iat= 198, 188, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 38 LEU HB- 37 ALA HN 6.00 (# 237:10 Unique 4.80, 5.60 A)
&rst
ixpk= 237, nxpk= 10, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 202, 203,
&end
#
# 36 LYS HA 37 ALA HN 6.00 (# 238:10 Unique 3.57, 3.59 A)
&rst
ixpk= 238, nxpk= 10, iat= 168, 188, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 37 ALA HA 37 ALA HN 4.50 (# 239:10 Unique 2.86, 2.88 A)
&rst
ixpk= 239, nxpk= 10, iat= 190, 188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 ALA MB 37 ALA HN 2.80 (# 240:10 Unique 2.40, 2.91 A)
&rst
ixpk= 240, nxpk= 10, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 192, 193, 194,
&end
#
# 69 VAL MGX 37 ALA HN 4.50 (# 241:10 Unique 2.74, 4.61 A)
&rst
ixpk= 241, nxpk= 10, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 705, 706, 707, 709, 710, 711,
&end
#
# 0 AMB 10-2:242 0 AMB 10-1:242 4.50 (# 242:10 Double Ambig)
&rst
ixpk= 242, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1515,1516,1515,1516,
igr2=1532,1511,
&end
#
# 0 AMB 10-2:243 0 AMB 10-1:243 2.80 (# 243:10 Double Ambig)
&rst
ixpk= 243, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1542,1543,1498,1499,1500,1767,1768,1769,
igr2=1532,1511,
&end
#
# 117 TYR HD 0 AMB 10-1:244 4.50 (# 244:10 Single Ambig)
&rst
ixpk= 244, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1519,1528,
igr2=1511,1532,
&end
#
# 117 TYR HA 0 AMB 10-1:245 2.80 (# 245:10 Single Ambig)
&rst
ixpk= 245, nxpk= 10, iat=1513, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1532,1511,
&end
#
# 118 ILE HA 118 ILE HN 6.00 (# 246:10 Unique 2.94, 2.98 A)
&rst
ixpk= 246, nxpk= 10, iat=1534,1532, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 117 TYR HB- 0 AMB 10-1:247 6.00 (# 247:10 Single Ambig)
&rst
ixpk= 247, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1515,1516,
igr2=1532,1511,
&end
#
# 118 ILE HG1- 118 ILE HN 8.00 (# 248:10 Unique 2.39, 4.53 A)
&rst
ixpk= 248, nxpk= 10, iat= -1,1532, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1542,1543,
&end
#
# 118 ILE HB 118 ILE HN 4.50 (# 249:10 Unique 2.57, 3.11 A)
&rst
ixpk= 249, nxpk= 10, iat=1536,1532, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 118 ILE QG2 118 ILE HN 4.50 (# 250:10 Unique 1.99, 3.32 A)
&rst
ixpk= 250, nxpk= 10, iat= -1,1532, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1538,1539,1540,
&end
#
# 112 HIS HA 113 LYS HN 2.80 (# 251:10 Unique 2.15, 2.24 A)
&rst
ixpk= 251, nxpk= 10, iat=1421,1436, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 78 LEU HA 113 LYS HN 4.50 (# 252:10 Unique 2.69, 3.07 A)
&rst
ixpk= 252, nxpk= 10, iat= 848,1436, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 113 LYS HA 113 LYS HN 4.50 (# 253:10 Unique 2.90, 2.97 A)
&rst
ixpk= 253, nxpk= 10, iat=1438,1436, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:254 113 LYS HN 4.50 (# 254:10 Single Ambig)
&rst
ixpk= 254, nxpk= 10, iat= -1,1436, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1423,1424,1423,1424,
&end
#
# 113 LYS HB+ 113 LYS HN 6.00 (# 255:10 Unique 2.30, 2.77 A)
&rst
ixpk= 255, nxpk= 10, iat= -1,1436, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1440,1441,
&end
#
# 113 LYS HB- 113 LYS HN 4.50 (# 256:10 Unique 2.30, 2.77 A)
&rst
ixpk= 256, nxpk= 10, iat= -1,1436, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1440,1441,
&end
#
# 0 AMB 10-2:257 37 ALA HN 6.00 (# 257:10 Single Ambig)
&rst
ixpk= 257, nxpk= 10, iat= -1, 188, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 138, 153,
&end
#
# 0 AMB 10-2:258 37 ALA HN 8.00 (# 258:10 Single Ambig)
&rst
ixpk= 258, nxpk= 10, iat= -1, 188, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 123, 124, 140, 141,
&end
#
# 115 GLU HA 116 ILE HN 2.80 (# 261:10 Unique 2.13, 2.21 A)
&rst
ixpk= 261, nxpk= 10, iat=1479,1492, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 116 ILE HB 116 ILE HN 4.50 (# 262:10 Unique 2.55, 3.22 A)
&rst
ixpk= 262, nxpk= 10, iat=1496,1492, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 116 ILE QD1 116 ILE HN 4.50 (# 263:10 Unique 3.06, 4.93 A)
&rst
ixpk= 263, nxpk= 10, iat= -1,1492, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1505,1506,1507,
&end
#
# 40 VAL HN 39 GLU HN 3.50 (# 264:10 Unique 2.84, 2.89 A)
&rst
ixpk= 264, nxpk= 10, iat= 232, 217, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 39 GLU HA 39 GLU HN 3.50 (# 265:10 Unique 2.83, 2.84 A)
&rst
ixpk= 265, nxpk= 10, iat= 219, 217, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 39 GLU HG+ 39 GLU HN 3.50 (# 266:10 Unique 2.36, 2.98 A)
&rst
ixpk= 266, nxpk= 10, iat= -1, 217, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 224, 225,
&end
#
# 39 GLU HB+ 39 GLU HN 3.50 (# 267:10 Unique 2.37, 3.04 A)
&rst
ixpk= 267, nxpk= 10, iat= -1, 217, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 221, 222,
&end
#
# 0 AMB 10-2:268 39 GLU HN 2.80 (# 268:10 Single Ambig)
&rst
ixpk= 268, nxpk= 10, iat= -1, 217, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 224, 225, 221, 222,
&end
#
# 38 LEU HB+ 39 GLU HN 4.50 (# 269:10 Unique 2.41, 3.00 A)
&rst
ixpk= 269, nxpk= 10, iat= -1, 217, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 202, 203,
&end
#
# 38 LEU HB- 39 GLU HN 4.50 (# 270:10 Unique 2.41, 3.00 A)
&rst
ixpk= 270, nxpk= 10, iat= -1, 217, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 202, 203,
&end
#
# 96 ILE QG2 96 ILE HN 6.00 (# 272:10 Unique 4.32, 4.55 A)
&rst
ixpk= 272, nxpk= 10, iat= -1,1136, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1142,1143,1144,
&end
#
# 41 TYR HA 41 TYR HN 4.50 (# 273:10 Unique 2.82, 2.85 A)
&rst
ixpk= 273, nxpk= 10, iat= 250, 248, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 96 ILE HA 96 ILE HN 6.00 (# 275:10 Unique 2.86, 2.88 A)
&rst
ixpk= 275, nxpk= 10, iat=1138,1136, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 96 ILE HG1- 96 ILE HN 4.50 (# 276:10 Unique 2.24, 3.03 A)
&rst
ixpk= 276, nxpk= 10, iat= -1,1136, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1146,1147,
&end
#
# 96 ILE HB 96 ILE HN 3.50 (# 277:10 Unique 2.28, 2.37 A)
&rst
ixpk= 277, nxpk= 10, iat=1140,1136, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 95 LEU HB- 96 ILE HN 4.50 (# 278:10 Unique 2.49, 3.17 A)
&rst
ixpk= 278, nxpk= 10, iat= -1,1136, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1121,1122,
&end
#
# 0 AMB 10-2:279 96 ILE HN 4.50 (# 279:10 Single Ambig)
&rst
ixpk= 279, nxpk= 10, iat= -1,1136, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=1149,1150,1151,1083,1084,1085,1087,1088,1089,1083,
1084,1085,1087,1088,1089,
&end
#
# 97 GLY HN 96 ILE HN 4.50 (# 280:10 Unique 2.75, 2.86 A)
&rst
ixpk= 280, nxpk= 10, iat=1155,1136, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 LEU HN 96 ILE HN 4.50 (# 281:10 Unique 2.65, 2.81 A)
&rst
ixpk= 281, nxpk= 10, iat=1117,1136, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 162 LEU HN 163 GLU HN 4.50 (# 282:10 Unique 2.26, 3.07 A)
&rst
ixpk= 282, nxpk= 10, iat=2209,2228, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 152 VAL HA 152 VAL HN 4.50 (# 283:10 Unique 2.82, 2.84 A)
&rst
ixpk= 283, nxpk= 10, iat=2059,2057, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 153 GLU HN 152 VAL HN 6.00 (# 284:10 Unique 2.81, 2.91 A)
&rst
ixpk= 284, nxpk= 10, iat=2073,2057, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 151 ILE HN 152 VAL HN 3.50 (# 285:10 Unique 2.76, 2.84 A)
&rst
ixpk= 285, nxpk= 10, iat=2038,2057, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:286 152 VAL HN 4.50 (# 286:10 Single Ambig)
&rst
ixpk= 286, nxpk= 10, iat= -1,2057, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2001,2040,
&end
#
# 152 VAL HB 152 VAL HN 2.80 (# 287:10 Unique 2.39, 2.47 A)
&rst
ixpk= 287, nxpk= 10, iat=2061,2057, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 151 ILE HB 152 VAL HN 3.50 (# 288:10 Unique 2.43, 2.61 A)
&rst
ixpk= 288, nxpk= 10, iat=2042,2057, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 152 VAL MGY 152 VAL HN 2.80 (# 289:10 Unique 2.30, 3.93 A)
&rst
ixpk= 289, nxpk= 10, iat= -1,2057, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2063,2064,2065,2067,2068,2069,
&end
#
# 0 AMB 10-2:290 152 VAL HN 3.50 (# 290:10 Single Ambig)
&rst
ixpk= 290, nxpk= 10, iat= -1,2057, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2063,2064,2065,2067,2068,2069,1126,1127,1128,1130,
1131,1132,
&end
#
# 38 LEU HA 41 TYR HN 4.50 (# 292:10 Unique 3.34, 3.54 A)
&rst
ixpk= 292, nxpk= 10, iat= 200, 248, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 VAL HB 41 TYR HN 3.50 (# 293:10 Unique 2.67, 2.79 A)
&rst
ixpk= 293, nxpk= 10, iat= 236, 248, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 ASP HN 41 TYR HN 4.50 (# 294:10 Unique 2.76, 2.85 A)
&rst
ixpk= 294, nxpk= 10, iat= 269, 248, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 VAL HN 41 TYR HN 4.50 (# 295:10 Unique 2.77, 2.84 A)
&rst
ixpk= 295, nxpk= 10, iat= 232, 248, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 TYR HB+ 41 TYR HN 3.50 (# 296:10 Unique 2.14, 2.52 A)
&rst
ixpk= 296, nxpk= 10, iat= -1, 248, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 252, 253,
&end
#
# 0 AMB 10-2:297 41 TYR HN 4.50 (# 297:10 Single Ambig)
&rst
ixpk= 297, nxpk= 10, iat= -1, 248, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 674, 675, 676, 678, 679, 680, 238, 239, 240, 242,
243, 244,
&end
#
# 40 VAL MGX 41 TYR HN 4.50 (# 298:10 Unique 3.29, 4.60 A)
&rst
ixpk= 298, nxpk= 10, iat= -1, 248, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 238, 239, 240, 242, 243, 244,
&end
#
# 162 LEU HB- 163 GLU HN 4.50 (# 299:10 Unique 2.34, 3.46 A)
&rst
ixpk= 299, nxpk= 10, iat= -1,2228, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2213,2214,
&end
#
# 162 LEU HA 163 GLU HN 3.50 (# 300:10 Unique 3.28, 3.44 A)
&rst
ixpk= 300, nxpk= 10, iat=2211,2228, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 161 GLN HB+ 163 GLU HN 4.50 (# 301:10 Unique 3.34, 4.63 A)
&rst
ixpk= 301, nxpk= 10, iat= -1,2228, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2196,2197,
&end
#
# 0 AMB 10-2:302 163 GLU HN 2.80 (# 302:10 Single Ambig)
&rst
ixpk= 302, nxpk= 10, iat= -1,2228, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2232,2233,2232,2233,
&end
#
# 162 LEU HB+ 163 GLU HN 4.50 (# 303:10 Unique 2.34, 3.46 A)
&rst
ixpk= 303, nxpk= 10, iat= -1,2228, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2213,2214,
&end
#
# 137 GLU HA 140 ALA HN 4.50 (# 304:10 Unique 3.22, 3.38 A)
&rst
ixpk= 304, nxpk= 10, iat=1823,1876, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 136 LYS HA 140 ALA HN 6.00 (# 305:10 Unique 3.73, 3.89 A)
&rst
ixpk= 305, nxpk= 10, iat=1801,1876, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 112 HIS HA 112 HIS HN 4.50 (# 306:10 Unique 2.90, 2.98 A)
&rst
ixpk= 306, nxpk= 10, iat=1421,1419, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:307 61 VAL HN 4.50 (# 307:10 Single Ambig)
&rst
ixpk= 307, nxpk= 10, iat= -1, 588, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 575, 507,
&end
#
# 67 VAL MGY 66 CYS HN 6.00 (# 308:10 Unique 3.63, 5.98 A)
&rst
ixpk= 308, nxpk= 10, iat= -1, 657, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 65 SER HN 66 CYS HN 4.50 (# 309:10 Unique 2.76, 2.84 A)
&rst
ixpk= 309, nxpk= 10, iat= 646, 657, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 VAL HN 66 CYS HN 3.50 (# 310:10 Unique 2.43, 2.56 A)
&rst
ixpk= 310, nxpk= 10, iat= 668, 657, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:311 66 CYS HN 4.50 (# 311:10 Single Ambig)
&rst
ixpk= 311, nxpk= 10, iat= -1, 657, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 661, 662, 650, 651,
&end
#
# 66 CYS HB- 66 CYS HN 4.50 (# 312:10 Unique 2.25, 3.05 A)
&rst
ixpk= 312, nxpk= 10, iat= -1, 657, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 661, 662,
&end
#
# 66 CYS HA 66 CYS HN 4.50 (# 313:10 Unique 2.87, 2.94 A)
&rst
ixpk= 313, nxpk= 10, iat= 659, 657, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 139 VAL HN 140 ALA HN 4.50 (# 314:10 Unique 2.79, 2.87 A)
&rst
ixpk= 314, nxpk= 10, iat=1860,1876, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 141 ALA HN 140 ALA HN 2.80 (# 315:10 Unique 2.80, 2.81 A)
&rst
ixpk= 315, nxpk= 10, iat=1886,1876, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 140 ALA HA 140 ALA HN 3.50 (# 316:10 Unique 2.83, 2.84 A)
&rst
ixpk= 316, nxpk= 10, iat=1878,1876, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 139 VAL HA 140 ALA HN 6.00 (# 317:10 Unique 3.61, 3.63 A)
&rst
ixpk= 317, nxpk= 10, iat=1862,1876, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 139 VAL HB 140 ALA HN 3.50 (# 318:10 Unique 2.65, 2.75 A)
&rst
ixpk= 318, nxpk= 10, iat=1864,1876, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 140 ALA MB 140 ALA HN 2.80 (# 319:10 Unique 2.45, 2.84 A)
&rst
ixpk= 319, nxpk= 10, iat= -1,1876, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1880,1881,1882,
&end
#
# 139 VAL MGX 140 ALA HN 3.50 (# 320:10 Unique 3.36, 4.59 A)
&rst
ixpk= 320, nxpk= 10, iat= -1,1876, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1866,1867,1868,1870,1871,1872,
&end
#
# 67 VAL HA 67 VAL HN 4.50 (# 321:10 Unique 2.96, 3.00 A)
&rst
ixpk= 321, nxpk= 10, iat= 670, 668, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 66 CYS HN 67 VAL HN 3.50 (# 322:10 Unique 2.43, 2.56 A)
&rst
ixpk= 322, nxpk= 10, iat= 657, 668, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 CYS HA 67 VAL HN 4.50 (# 323:10 Unique 3.31, 3.40 A)
&rst
ixpk= 323, nxpk= 10, iat= 659, 668, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 VAL HB 67 VAL HN 2.80 (# 324:10 Unique 2.51, 2.62 A)
&rst
ixpk= 324, nxpk= 10, iat= 672, 668, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 VAL MGY 67 VAL HN 2.80 (# 325:10 Unique 2.18, 4.09 A)
&rst
ixpk= 325, nxpk= 10, iat= -1, 668, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 111 LYS HA 112 HIS HN 2.80 (# 326:10 Unique 2.11, 2.61 A)
&rst
ixpk= 326, nxpk= 10, iat=1399,1419, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 62 VAL HN 61 VAL HN 3.50 (# 327:10 Unique 2.35, 2.58 A)
&rst
ixpk= 327, nxpk= 10, iat= 604, 588, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 61 VAL HB 61 VAL HN 3.50 (# 328:10 Unique 2.21, 2.52 A)
&rst
ixpk= 328, nxpk= 10, iat= 592, 588, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 60 GLU HN 61 VAL HN 4.50 (# 329:10 Unique 2.72, 2.84 A)
&rst
ixpk= 329, nxpk= 10, iat= 573, 588, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 VAL MGY 61 VAL HN 3.50 (# 330:10 Unique 2.04, 3.83 A)
&rst
ixpk= 330, nxpk= 10, iat= -1, 588, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 594, 595, 596, 598, 599, 600,
&end
#
# 128 ASP HB- 128 ASP HN 3.50 (# 331:10 Unique 2.37, 2.65 A)
&rst
ixpk= 331, nxpk= 10, iat= -1,1670, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1674,1675,
&end
#
# 147 ASN HA 148 LEU HN 4.50 (# 332:10 Unique 3.59, 3.60 A)
&rst
ixpk= 332, nxpk= 10, iat=1968,1980, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:333 148 LEU HN 3.50 (# 333:10 Single Ambig)
&rst
ixpk= 333, nxpk= 10, iat= -1,1980, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1970,1971,1970,1971,
&end
#
# 65 SER HA 67 VAL HN 8.00 (# 334:10 Unique 3.56, 3.74 A)
&rst
ixpk= 334, nxpk= 10, iat= 648, 668, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 68 GLU HN 67 VAL HN 4.50 (# 335:10 Unique 4.45, 4.50 A)
&rst
ixpk= 335, nxpk= 10, iat= 684, 668, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 GLU HG- 35 GLU HN 4.50 (# 336:10 Unique 2.52, 3.80 A)
&rst
ixpk= 336, nxpk= 10, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 143, 144,
&end
#
# 160 ASP HN 161 GLN HN 4.50 (# 337:10 Unique 2.12, 2.96 A)
&rst
ixpk= 337, nxpk= 10, iat=2180,2192, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:338 0 AMB 10-1:338 3.50 (# 338:10 Double Ambig)
&rst
ixpk= 338, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2260,2209,
igr2=2243,2192,
&end
#
# 160 ASP HA 161 GLN HN 3.50 (# 339:10 Unique 2.23, 3.29 A)
&rst
ixpk= 339, nxpk= 10, iat=2182,2192, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 161 GLN HA 161 GLN HN 3.50 (# 340:10 Unique 2.26, 2.79 A)
&rst
ixpk= 340, nxpk= 10, iat=2194,2192, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:341 161 GLN HN 4.50 (# 341:10 Single Ambig)
&rst
ixpk= 341, nxpk= 10, iat= -1,2192, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2184,2185,2184,2185,
&end
#
# 0 AMB 10-2:342 161 GLN HN 3.50 (# 342:10 Single Ambig)
&rst
ixpk= 342, nxpk= 10, iat= -1,2192, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2199,2200,2199,2200,
&end
#
# 161 GLN HB+ 161 GLN HN 4.50 (# 343:10 Unique 2.28, 3.14 A)
&rst
ixpk= 343, nxpk= 10, iat= -1,2192, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2196,2197,
&end
#
# 0 AMB 10-2:344 161 GLN HN 3.50 (# 344:10 Single Ambig)
&rst
ixpk= 344, nxpk= 10, iat= -1,2192, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2196,2197,2170,2171,
&end
#
# 0 AMB 10-2:345 164 HIS HN 6.00 (# 345:10 Single Ambig)
&rst
ixpk= 345, nxpk= 10, iat= -1,2243, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=2232,2233,2232,2233,
&end
#
# 148 LEU MDX 148 LEU HN 4.50 (# 346:10 Unique 2.26, 4.36 A)
&rst
ixpk= 346, nxpk= 10, iat= -1,1980, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1989,1990,1991,1993,1994,1995,
&end
#
# 148 LEU MDY 148 LEU HN 6.00 (# 347:10 Unique 2.26, 4.36 A)
&rst
ixpk= 347, nxpk= 10, iat= -1,1980, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1989,1990,1991,1993,1994,1995,
&end
#
# 149 ARG HN 148 LEU HN 3.50 (# 348:10 Unique 2.78, 2.82 A)
&rst
ixpk= 348, nxpk= 10, iat=1999,1980, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 147 ASN HN 148 LEU HN 2.80 (# 349:10 Unique 2.74, 2.80 A)
&rst
ixpk= 349, nxpk= 10, iat=1966,1980, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 148 LEU HA 148 LEU HN 3.50 (# 350:10 Unique 2.85, 2.89 A)
&rst
ixpk= 350, nxpk= 10, iat=1982,1980, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 148 LEU HB- 148 LEU HN 3.50 (# 351:10 Unique 2.32, 3.01 A)
&rst
ixpk= 351, nxpk= 10, iat= -1,1980, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1984,1985,
&end
#
# 148 LEU HG 148 LEU HN 3.50 (# 352:10 Unique 2.26, 2.50 A)
&rst
ixpk= 352, nxpk= 10, iat=1987,1980, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 148 LEU HB+ 148 LEU HN 4.50 (# 353:10 Unique 2.32, 3.01 A)
&rst
ixpk= 353, nxpk= 10, iat= -1,1980, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1984,1985,
&end
#
# 34 GLU HN 35 GLU HN 4.50 (# 354:10 Unique 2.92, 3.10 A)
&rst
ixpk= 354, nxpk= 10, iat= 136, 151, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 LYS HN 35 GLU HN 4.50 (# 355:10 Unique 2.61, 2.73 A)
&rst
ixpk= 355, nxpk= 10, iat= 166, 151, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:356 35 GLU HN 4.50 (# 356:10 Single Ambig)
&rst
ixpk= 356, nxpk= 10, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 158, 159, 143, 144,
&end
#
# 136 LYS HA 137 GLU HN 8.00 (# 357:10 Unique 3.55, 3.59 A)
&rst
ixpk= 357, nxpk= 10, iat=1801,1821, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 138 ARG HN 137 GLU HN 3.50 (# 358:10 Unique 2.46, 2.62 A)
&rst
ixpk= 358, nxpk= 10, iat=1836,1821, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 137 GLU HA 137 GLU HN 3.50 (# 359:10 Unique 2.82, 2.91 A)
&rst
ixpk= 359, nxpk= 10, iat=1823,1821, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 137 GLU HG+ 137 GLU HN 4.50 (# 360:10 Unique 2.30, 3.32 A)
&rst
ixpk= 360, nxpk= 10, iat= -1,1821, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1828,1829,
&end
#
# 137 GLU HB- 137 GLU HN 2.80 (# 361:10 Unique 2.41, 2.98 A)
&rst
ixpk= 361, nxpk= 10, iat= -1,1821, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1825,1826,
&end
#
# 130 ASN HB+ 131 LYS HN 4.50 (# 362:10 Unique 2.51, 3.35 A)
&rst
ixpk= 362, nxpk= 10, iat= -1,1715, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1705,1706,
&end
#
# 130 ASN HN 131 LYS HN 4.50 (# 363:10 Unique 2.80, 2.90 A)
&rst
ixpk= 363, nxpk= 10, iat=1701,1715, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:364 131 LYS HN 4.50 (# 364:10 Single Ambig)
&rst
ixpk= 364, nxpk= 10, iat= -1,1715, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1717,1657,
&end
#
# 131 LYS HB- 131 LYS HN 3.50 (# 365:10 Unique 2.32, 2.61 A)
&rst
ixpk= 365, nxpk= 10, iat= -1,1715, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1719,1720,
&end
#
# 83 PHE HD 83 PHE HN 3.50 (# 366:10 Unique 2.13, 3.78 A)
&rst
ixpk= 366, nxpk= 10, iat= -1, 943, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 951, 959,
&end
#
# 82 ARG HA 83 PHE HN 3.50 (# 367:10 Unique 2.15, 2.29 A)
&rst
ixpk= 367, nxpk= 10, iat= 921, 943, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 PHE HA 83 PHE HN 4.50 (# 368:10 Unique 2.86, 2.95 A)
&rst
ixpk= 368, nxpk= 10, iat= 945, 943, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:369 83 PHE HN 4.50 (# 369:10 Single Ambig)
&rst
ixpk= 369, nxpk= 10, iat= -1, 943, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 923, 924, 926, 927,
&end
#
# 116 ILE QG2 83 PHE HN 6.00 (# 370:10 Preassigned 4.43, 6.24 A)
&rst
ixpk= 370, nxpk= 10, iat= -1, 943, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1498,1499,1500,
&end
#
# 150 GLU HN 149 ARG HN 4.50 (# 371:10 Unique 2.95, 3.04 A)
&rst
ixpk= 371, nxpk= 10, iat=2023,1999, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:372 149 ARG HN 4.50 (# 372:10 Single Ambig)
&rst
ixpk= 372, nxpk= 10, iat= -1,1999, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2006,2007,2006,2007,
&end
#
# 148 LEU HB+ 149 ARG HN 8.00 (# 373:10 Unique 2.46, 3.01 A)
&rst
ixpk= 373, nxpk= 10, iat= -1,1999, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1984,1985,
&end
#
# 0 AMB 10-2:374 131 LYS HN 4.50 (# 374:10 Single Ambig)
&rst
ixpk= 374, nxpk= 10, iat= -1,1715, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1672,1703,
&end
#
# 131 LYS HG+ 131 LYS HN 4.50 (# 375:10 Unique 2.34, 4.13 A)
&rst
ixpk= 375, nxpk= 10, iat= -1,1715, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1722,1723,
&end
#
# 38 LEU HB- 38 LEU HN 3.50 (# 376:10 Unique 2.37, 3.04 A)
&rst
ixpk= 376, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 202, 203,
&end
#
# 75 GLU HN 76 GLU HN 2.80 (# 377:10 Unique 2.08, 2.48 A)
&rst
ixpk= 377, nxpk= 10, iat= 795, 810, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:378 76 GLU HN 4.50 (# 378:10 Single Ambig)
&rst
ixpk= 378, nxpk= 10, iat= -1, 810, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 766, 825,
&end
#
# 76 GLU HA 76 GLU HN 4.50 (# 379:10 Unique 2.84, 2.92 A)
&rst
ixpk= 379, nxpk= 10, iat= 812, 810, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 74 GLU HA 76 GLU HN 6.00 (# 380:10 Unique 4.13, 4.34 A)
&rst
ixpk= 380, nxpk= 10, iat= 782, 810, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:381 76 GLU HN 4.50 (# 381:10 Single Ambig)
&rst
ixpk= 381, nxpk= 10, iat= -1, 810, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 817, 818, 739, 740,
&end
#
# 76 GLU HB+ 76 GLU HN 3.50 (# 382:10 Unique 2.58, 3.33 A)
&rst
ixpk= 382, nxpk= 10, iat= -1, 810, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 814, 815,
&end
#
# 76 GLU HB- 76 GLU HN 3.50 (# 383:10 Unique 2.58, 3.33 A)
&rst
ixpk= 383, nxpk= 10, iat= -1, 810, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 814, 815,
&end
#
# 75 GLU HA 76 GLU HN 3.50 (# 384:10 Unique 2.92, 3.24 A)
&rst
ixpk= 384, nxpk= 10, iat= 797, 810, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:385 76 GLU HN 4.50 (# 385:10 Single Ambig)
&rst
ixpk= 385, nxpk= 10, iat= -1, 810, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 817, 818, 799, 800,
&end
#
# 150 GLU HA 151 ILE HN 6.00 (# 386:10 Unique 3.60, 3.62 A)
&rst
ixpk= 386, nxpk= 10, iat=2025,2038, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 152 VAL HN 151 ILE HN 3.50 (# 387:10 Unique 2.76, 2.84 A)
&rst
ixpk= 387, nxpk= 10, iat=2057,2038, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 150 GLU HN 151 ILE HN 4.50 (# 388:10 Unique 2.82, 2.92 A)
&rst
ixpk= 388, nxpk= 10, iat=2023,2038, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 148 LEU HA 151 ILE HN 4.50 (# 389:10 Unique 3.35, 3.56 A)
&rst
ixpk= 389, nxpk= 10, iat=1982,2038, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 151 ILE HA 151 ILE HN 4.50 (# 390:10 Unique 2.86, 2.90 A)
&rst
ixpk= 390, nxpk= 10, iat=2040,2038, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 150 GLU HB- 151 ILE HN 4.50 (# 391:10 Unique 2.47, 3.24 A)
&rst
ixpk= 391, nxpk= 10, iat= -1,2038, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2027,2028,
&end
#
# 150 GLU HB+ 151 ILE HN 3.50 (# 392:10 Unique 2.47, 3.24 A)
&rst
ixpk= 392, nxpk= 10, iat= -1,2038, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2027,2028,
&end
#
# 151 ILE HG1- 151 ILE HN 3.50 (# 393:10 Unique 2.21, 3.00 A)
&rst
ixpk= 393, nxpk= 10, iat= -1,2038, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2048,2049,
&end
#
# 151 ILE HG1+ 151 ILE HN 4.50 (# 394:10 Unique 2.21, 3.00 A)
&rst
ixpk= 394, nxpk= 10, iat= -1,2038, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2048,2049,
&end
#
# 0 AMB 10-2:395 151 ILE HN 6.00 (# 395:10 Single Ambig)
&rst
ixpk= 395, nxpk= 10, iat= -1,2038, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1=2044,2045,2046,1989,1990,1991,1993,1994,1995,
&end
#
# 148 LEU HN 149 ARG HN 2.80 (# 396:10 Unique 2.78, 2.82 A)
&rst
ixpk= 396, nxpk= 10, iat=1980,1999, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:397 149 ARG HN 4.50 (# 397:10 Single Ambig)
&rst
ixpk= 397, nxpk= 10, iat= -1,1999, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1962,1982,
&end
#
# 149 ARG HA 149 ARG HN 4.50 (# 398:10 Unique 2.77, 2.80 A)
&rst
ixpk= 398, nxpk= 10, iat=2001,1999, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 149 ARG HB- 149 ARG HN 3.50 (# 399:10 Unique 2.27, 2.54 A)
&rst
ixpk= 399, nxpk= 10, iat= -1,1999, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2003,2004,
&end
#
# 127 GLU HA 127 GLU HN 4.50 (# 400:10 Unique 2.77, 2.87 A)
&rst
ixpk= 400, nxpk= 10, iat=1657,1655, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 126 GLU HA 127 GLU HN 6.00 (# 401:10 Unique 3.44, 3.54 A)
&rst
ixpk= 401, nxpk= 10, iat=1642,1655, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 126 GLU HB+ 127 GLU HN 4.50 (# 402:10 Unique 2.21, 4.04 A)
&rst
ixpk= 402, nxpk= 10, iat= -1,1655, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1644,1645,
&end
#
# 0 AMB 10-2:403 127 GLU HN 2.80 (# 403:10 Single Ambig)
&rst
ixpk= 403, nxpk= 10, iat= -1,1655, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1644,1645,1659,1660,1659,1660,
&end
#
# 38 LEU HB+ 38 LEU HN 2.80 (# 404:10 Unique 2.37, 3.04 A)
&rst
ixpk= 404, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 202, 203,
&end
#
# 38 LEU MDY 38 LEU HN 4.50 (# 405:10 Unique 3.45, 4.41 A)
&rst
ixpk= 405, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 207, 208, 209, 211, 212, 213,
&end
#
# 102 VAL HA 102 VAL HN 4.50 (# 406:10 Unique 2.82, 2.85 A)
&rst
ixpk= 406, nxpk= 10, iat=1237,1235, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 102 VAL HB 102 VAL HN 3.50 (# 407:10 Unique 2.36, 2.41 A)
&rst
ixpk= 407, nxpk= 10, iat=1239,1235, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:408 102 VAL HN 6.00 (# 408:10 Single Ambig)
&rst
ixpk= 408, nxpk= 10, iat= -1,1235, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1=1171,1172,1173,1175,1176,1177,1866,1867,1868,1870,
1871,1872,2063,2064,2065,2067,2068,2069,1467,1468,
1469,1471,1472,1473,
&end
#
# 103 LYS HN 102 VAL HN 4.50 (# 409:10 Unique 2.81, 2.89 A)
&rst
ixpk= 409, nxpk= 10, iat=1251,1235, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 101 ARG HN 102 VAL HN 4.50 (# 410:10 Unique 2.89, 3.04 A)
&rst
ixpk= 410, nxpk= 10, iat=1211,1235, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 102 VAL MGY 102 VAL HN 2.80 (# 411:10 Unique 2.29, 3.91 A)
&rst
ixpk= 411, nxpk= 10, iat= -1,1235, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1241,1242,1243,1245,1246,1247,
&end
#
# 102 VAL MGX 102 VAL HN 4.50 (# 412:10 Unique 2.29, 3.91 A)
&rst
ixpk= 412, nxpk= 10, iat= -1,1235, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1241,1242,1243,1245,1246,1247,
&end
#
# 106 ARG HN 105 GLN HN 4.50 (# 413:10 Unique 2.84, 2.89 A)
&rst
ixpk= 413, nxpk= 10, iat=1309,1292, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 104 LEU HN 105 GLN HN 4.50 (# 414:10 Unique 2.73, 2.81 A)
&rst
ixpk= 414, nxpk= 10, iat=1273,1292, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 105 GLN HB+ 105 GLN HN 3.50 (# 415:10 Unique 2.24, 2.44 A)
&rst
ixpk= 415, nxpk= 10, iat= -1,1292, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1296,1297,
&end
#
# 114 LEU HG 105 GLN HN 6.00 (# 416:10 Unique 3.41, 4.81 A)
&rst
ixpk= 416, nxpk= 10, iat=1465,1292, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 105 GLN HA 105 GLN HN 4.50 (# 417:10 Unique 2.79, 2.82 A)
&rst
ixpk= 417, nxpk= 10, iat=1294,1292, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 105 GLN HG- 105 GLN HN 4.50 (# 418:10 Unique 4.29, 4.45 A)
&rst
ixpk= 418, nxpk= 10, iat= -1,1292, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1299,1300,
&end
#
# 105 GLN HB- 105 GLN HN 3.50 (# 419:10 Unique 2.24, 2.44 A)
&rst
ixpk= 419, nxpk= 10, iat= -1,1292, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1296,1297,
&end
#
# 104 LEU HB+ 105 GLN HN 4.50 (# 420:10 Unique 2.42, 3.03 A)
&rst
ixpk= 420, nxpk= 10, iat= -1,1292, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1277,1278,
&end
#
# 0 AMB 10-2:421 105 GLN HN 6.00 (# 421:10 Single Ambig)
&rst
ixpk= 421, nxpk= 10, iat= -1,1292, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1282,1283,1284,1286,1287,1288,1282,1283,1284,1286,
1287,1288,
&end
#
# 127 GLU HG- 127 GLU HN 3.50 (# 422:10 Unique 2.19, 2.98 A)
&rst
ixpk= 422, nxpk= 10, iat= -1,1655, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1662,1663,
&end
#
# 159 PRO HB- 160 ASP HN 4.50 (# 423:10 Unique 2.33, 3.22 A)
&rst
ixpk= 423, nxpk= 10, iat= -1,2180, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2173,2174,
&end
#
# 49 ASP HN 54 ASN HN 4.50 (# 424:10 Unique 4.51, 4.53 A)
&rst
ixpk= 424, nxpk= 10, iat= 400, 477, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 54 ASN HA 54 ASN HN 4.50 (# 425:10 Unique 2.87, 2.91 A)
&rst
ixpk= 425, nxpk= 10, iat= 479, 477, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 53 PRO HA 54 ASN HN 3.50 (# 426:10 Unique 3.44, 3.50 A)
&rst
ixpk= 426, nxpk= 10, iat= 473, 477, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 54 ASN HB+ 54 ASN HN 6.00 (# 427:10 Unique 2.35, 2.94 A)
&rst
ixpk= 427, nxpk= 10, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 481, 482,
&end
#
# 0 AMB 10-2:428 54 ASN HN 2.80 (# 428:10 Single Ambig)
&rst
ixpk= 428, nxpk= 10, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 481, 482, 467, 468, 470, 471,
&end
#
# 59 LEU MDY 54 ASN HN 6.00 (# 429:10 Unique 3.16, 5.51 A)
&rst
ixpk= 429, nxpk= 10, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 563, 564, 565, 567, 568, 569,
&end
#
# 55 THR HN 54 ASN HN 6.00 (# 430:10 Unique 4.55, 4.62 A)
&rst
ixpk= 430, nxpk= 10, iat= 491, 477, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 44 ILE HN 45 ARG HN 4.50 (# 431:10 Unique 2.21, 2.60 A)
&rst
ixpk= 431, nxpk= 10, iat= 300, 319, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 46 THR MG2 45 ARG HN 4.50 (# 432:10 Unique 4.36, 5.72 A)
&rst
ixpk= 432, nxpk= 10, iat= -1, 319, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 349, 350, 351,
&end
#
# 46 THR HN 45 ARG HN 4.50 (# 433:10 Unique 2.88, 3.46 A)
&rst
ixpk= 433, nxpk= 10, iat= 343, 319, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 45 ARG HA 45 ARG HN 4.50 (# 434:10 Unique 2.66, 2.79 A)
&rst
ixpk= 434, nxpk= 10, iat= 321, 319, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:435 45 ARG HN 3.50 (# 435:10 Single Ambig)
&rst
ixpk= 435, nxpk= 10, iat= -1, 319, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 326, 327, 323, 324, 310, 311,
&end
#
# 44 ILE QG2 45 ARG HN 4.50 (# 436:10 Preassigned 4.50, 5.14 A)
&rst
ixpk= 436, nxpk= 10, iat= -1, 319, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 306, 307, 308,
&end
#
# 62 VAL MGX 45 ARG HN 4.50 (# 437:10 Unique 3.30, 5.85 A)
&rst
ixpk= 437, nxpk= 10, iat= -1, 319, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 610, 611, 612, 614, 615, 616,
&end
#
# 36 LYS HA 36 LYS HN 3.50 (# 438:10 Unique 2.90, 2.92 A)
&rst
ixpk= 438, nxpk= 10, iat= 168, 166, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 35 GLU HB- 36 LYS HN 3.50 (# 440:10 Unique 2.97, 3.62 A)
&rst
ixpk= 440, nxpk= 10, iat= -1, 166, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 155, 156,
&end
#
# 36 LYS HB+ 36 LYS HN 4.50 (# 441:10 Unique 2.38, 3.11 A)
&rst
ixpk= 441, nxpk= 10, iat= -1, 166, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 170, 171,
&end
#
# 36 LYS HG+ 36 LYS HN 4.50 (# 442:10 Unique 2.11, 3.02 A)
&rst
ixpk= 442, nxpk= 10, iat= -1, 166, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 173, 174,
&end
#
# 35 GLU HA 36 LYS HN 4.50 (# 443:10 Unique 3.54, 3.58 A)
&rst
ixpk= 443, nxpk= 10, iat= 153, 166, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 36 LYS HG- 36 LYS HN 4.50 (# 444:10 Unique 2.11, 3.02 A)
&rst
ixpk= 444, nxpk= 10, iat= -1, 166, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 173, 174,
&end
#
# 0 AMB 10-2:445 0 AMB 10-1:445 3.50 (# 445:10 Double Ambig)
&rst
ixpk= 445, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 188,1896,
igr2= 198,1886,
&end
#
# 161 GLN HN 160 ASP HN 4.50 (# 446:10 Unique 2.12, 2.96 A)
&rst
ixpk= 446, nxpk= 10, iat=2192,2180, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 160 ASP HA 160 ASP HN 3.50 (# 447:10 Unique 2.22, 2.81 A)
&rst
ixpk= 447, nxpk= 10, iat=2182,2180, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 159 PRO HA 160 ASP HN 2.80 (# 448:10 Unique 2.14, 2.32 A)
&rst
ixpk= 448, nxpk= 10, iat=2176,2180, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:449 160 ASP HN 6.00 (# 449:10 Single Ambig)
&rst
ixpk= 449, nxpk= 10, iat= -1,2180, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=2167,2168,2167,2168,
&end
#
# 0 AMB 10-2:450 160 ASP HN 2.80 (# 450:10 Single Ambig)
&rst
ixpk= 450, nxpk= 10, iat= -1,2180, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2184,2185,2184,2185,
&end
#
# 52 LYS HB- 54 ASN HN 6.00 (# 451:10 Unique 2.50, 3.06 A)
&rst
ixpk= 451, nxpk= 10, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 445, 446,
&end
#
# 49 ASP HB- 54 ASN HN 6.00 (# 452:10 Unique 4.06, 4.77 A)
&rst
ixpk= 452, nxpk= 10, iat= -1, 477, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 404, 405,
&end
#
# 0 AMB 10-2:453 141 ALA HN 2.80 (# 453:10 Single Ambig)
&rst
ixpk= 453, nxpk= 10, iat= -1,1886, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1888,1838,
&end
#
# 140 ALA HA 141 ALA HN 3.50 (# 454:10 Unique 3.57, 3.58 A)
&rst
ixpk= 454, nxpk= 10, iat=1878,1886, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:455 141 ALA HN 2.80 (# 455:10 Single Ambig)
&rst
ixpk= 455, nxpk= 10, iat= -1,1886, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1890,1891,1892,1880,1881,1882,
&end
#
# 84 THR HB 84 THR HN 4.50 (# 456:10 Unique 2.44, 2.86 A)
&rst
ixpk= 456, nxpk= 10, iat= 967, 963, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 PHE HA 84 THR HN 3.50 (# 457:10 Unique 2.17, 2.32 A)
&rst
ixpk= 457, nxpk= 10, iat= 945, 963, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 THR MG2 84 THR HN 4.50 (# 458:10 Unique 2.92, 4.46 A)
&rst
ixpk= 458, nxpk= 10, iat= -1, 963, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 969, 970, 971,
&end
#
# 102 VAL HN 103 LYS HN 4.50 (# 459:10 Unique 2.81, 2.89 A)
&rst
ixpk= 459, nxpk= 10, iat=1235,1251, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:460 103 LYS HN 4.50 (# 460:10 Single Ambig)
&rst
ixpk= 460, nxpk= 10, iat= -1,1251, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1253,1183,
&end
#
# 102 VAL HB 103 LYS HN 4.50 (# 461:10 Unique 2.76, 2.91 A)
&rst
ixpk= 461, nxpk= 10, iat=1239,1251, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:462 103 LYS HN 2.80 (# 462:10 Single Ambig)
&rst
ixpk= 462, nxpk= 10, iat= -1,1251, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1255,1256,1255,1256,
&end
#
# 0 AMB 10-2:463 103 LYS HN 4.50 (# 463:10 Single Ambig)
&rst
ixpk= 463, nxpk= 10, iat= -1,1251, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2122,2123,2124,2126,2127,2128,1241,1242,1243,1245,
1246,1247,
&end
#
# 0 AMB 10-2:464 103 LYS HN 4.50 (# 464:10 Single Ambig)
&rst
ixpk= 464, nxpk= 10, iat= -1,1251, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1241,1242,1243,1245,1246,1247, 370, 371, 372,
&end
#
# 104 LEU HN 103 LYS HN 4.50 (# 465:10 Unique 2.81, 2.90 A)
&rst
ixpk= 465, nxpk= 10, iat=1273,1251, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 129 ILE HB 130 ASN HN 4.50 (# 466:10 Unique 2.44, 2.63 A)
&rst
ixpk= 466, nxpk= 10, iat=1686,1701, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 129 ILE HN 130 ASN HN 4.50 (# 467:10 Unique 2.63, 2.78 A)
&rst
ixpk= 467, nxpk= 10, iat=1682,1701, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 131 LYS HN 130 ASN HN 4.50 (# 468:10 Unique 2.80, 2.90 A)
&rst
ixpk= 468, nxpk= 10, iat=1715,1701, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 130 ASN HA 130 ASN HN 4.50 (# 469:10 Unique 2.78, 2.83 A)
&rst
ixpk= 469, nxpk= 10, iat=1703,1701, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 130 ASN HB+ 130 ASN HN 4.50 (# 470:10 Unique 2.26, 2.91 A)
&rst
ixpk= 470, nxpk= 10, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1705,1706,
&end
#
# 130 ASN HB- 130 ASN HN 4.50 (# 471:10 Unique 2.26, 2.91 A)
&rst
ixpk= 471, nxpk= 10, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1705,1706,
&end
#
# 0 AMB 10-2:472 130 ASN HN 4.50 (# 472:10 Single Ambig)
&rst
ixpk= 472, nxpk= 10, iat= -1,1701, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1688,1689,1690,1767,1768,1769,
&end
#
# 39 GLU HB- 40 VAL HN 4.50 (# 473:10 Unique 2.57, 3.11 A)
&rst
ixpk= 473, nxpk= 10, iat= -1, 232, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 221, 222,
&end
#
# 39 GLU HA 40 VAL HN 8.00 (# 474:10 Unique 3.59, 3.60 A)
&rst
ixpk= 474, nxpk= 10, iat= 219, 232, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 41 TYR HN 40 VAL HN 4.50 (# 475:10 Unique 2.77, 2.84 A)
&rst
ixpk= 475, nxpk= 10, iat= 248, 232, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 GLU HN 40 VAL HN 3.50 (# 476:10 Unique 2.84, 2.89 A)
&rst
ixpk= 476, nxpk= 10, iat= 217, 232, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 40 VAL HA 40 VAL HN 4.50 (# 477:10 Unique 2.85, 2.86 A)
&rst
ixpk= 477, nxpk= 10, iat= 234, 232, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 VAL HB 40 VAL HN 2.80 (# 478:10 Unique 2.31, 2.35 A)
&rst
ixpk= 478, nxpk= 10, iat= 236, 232, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 40 VAL MGY 40 VAL HN 3.50 (# 479:10 Unique 2.41, 3.93 A)
&rst
ixpk= 479, nxpk= 10, iat= -1, 232, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 238, 239, 240, 242, 243, 244,
&end
#
# 40 VAL MGX 40 VAL HN 3.50 (# 480:10 Unique 2.41, 3.93 A)
&rst
ixpk= 480, nxpk= 10, iat= -1, 232, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 238, 239, 240, 242, 243, 244,
&end
#
# 0 AMB 10-2:481 57 GLU HN 8.00 (# 481:10 Single Ambig)
&rst
ixpk= 481, nxpk= 10, iat= -1, 524, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1= 497, 498, 499, 594, 595, 596, 598, 599, 600, 349,
350, 351,
&end
#
# 57 GLU HB+ 57 GLU HN 4.50 (# 482:10 Unique 2.38, 2.71 A)
&rst
ixpk= 482, nxpk= 10, iat= -1, 524, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 528, 529,
&end
#
# 56 LEU HN 57 GLU HN 4.50 (# 483:10 Unique 2.75, 2.86 A)
&rst
ixpk= 483, nxpk= 10, iat= 505, 524, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 76 GLU HN 75 GLU HN 2.80 (# 484:10 Unique 2.08, 2.48 A)
&rst
ixpk= 484, nxpk= 10, iat= 810, 795, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 75 GLU HA 75 GLU HN 3.50 (# 485:10 Unique 2.90, 2.98 A)
&rst
ixpk= 485, nxpk= 10, iat= 797, 795, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 GLU HA 75 GLU HN 3.50 (# 486:10 Unique 3.37, 3.50 A)
&rst
ixpk= 486, nxpk= 10, iat= 782, 795, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:487 75 GLU HN 2.80 (# 487:10 Single Ambig)
&rst
ixpk= 487, nxpk= 10, iat= -1, 795, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 802, 803, 799, 800,
&end
#
# 0 AMB 10-2:488 75 GLU HN 3.50 (# 488:10 Single Ambig)
&rst
ixpk= 488, nxpk= 10, iat= -1, 795, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 799, 800, 784, 785, 784, 785,
&end
#
# 37 ALA HA 40 VAL HN 6.00 (# 489:10 Unique 3.29, 3.45 A)
&rst
ixpk= 489, nxpk= 10, iat= 190, 232, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 133 ILE HN 132 GLN HN 2.80 (# 490:10 Unique 2.78, 2.82 A)
&rst
ixpk= 490, nxpk= 10, iat=1754,1737, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 132 GLN HA 132 GLN HN 4.50 (# 491:10 Unique 2.85, 2.88 A)
&rst
ixpk= 491, nxpk= 10, iat=1739,1737, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 132 GLN HG+ 132 GLN HN 4.50 (# 492:10 Unique 2.28, 3.20 A)
&rst
ixpk= 492, nxpk= 10, iat= -1,1737, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1744,1745,
&end
#
# 132 GLN HG- 132 GLN HN 4.50 (# 493:10 Unique 2.28, 3.20 A)
&rst
ixpk= 493, nxpk= 10, iat= -1,1737, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1744,1745,
&end
#
# 132 GLN HB+ 132 GLN HN 3.50 (# 494:10 Unique 2.14, 2.99 A)
&rst
ixpk= 494, nxpk= 10, iat= -1,1737, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1741,1742,
&end
#
# 131 LYS HB- 132 GLN HN 4.50 (# 495:10 Unique 2.46, 3.27 A)
&rst
ixpk= 495, nxpk= 10, iat= -1,1737, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1719,1720,
&end
#
# 62 VAL MGX 57 GLU HN 6.00 (# 496:10 Unique 3.35, 5.54 A)
&rst
ixpk= 496, nxpk= 10, iat= -1, 524, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 610, 611, 612, 614, 615, 616,
&end
#
# 57 GLU HA 57 GLU HN 4.50 (# 497:10 Unique 2.87, 2.91 A)
&rst
ixpk= 497, nxpk= 10, iat= 526, 524, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 GLU HN 57 GLU HN 4.50 (# 498:10 Unique 2.49, 2.65 A)
&rst
ixpk= 498, nxpk= 10, iat= 539, 524, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 55 THR HB 57 GLU HN 4.50 (# 499:10 Unique 2.33, 2.68 A)
&rst
ixpk= 499, nxpk= 10, iat= 495, 524, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 57 GLU HB- 57 GLU HN 3.50 (# 500:10 Unique 2.38, 2.71 A)
&rst
ixpk= 500, nxpk= 10, iat= -1, 524, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 528, 529,
&end
#
# 75 GLU HN 74 GLU HN 4.50 (# 501:10 Unique 2.59, 2.85 A)
&rst
ixpk= 501, nxpk= 10, iat= 795, 780, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 ASN HA 74 GLU HN 4.50 (# 502:10 Unique 2.50, 2.66 A)
&rst
ixpk= 502, nxpk= 10, iat= 768, 780, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 101 ARG HN 100 LEU HN 6.00 (# 503:10 Unique 2.78, 2.99 A)
&rst
ixpk= 503, nxpk= 10, iat=1211,1192, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 99 CYS HN 100 LEU HN 3.50 (# 504:10 Unique 2.74, 2.88 A)
&rst
ixpk= 504, nxpk= 10, iat=1181,1192, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:505 100 LEU HN 8.00 (# 505:10 Single Ambig)
&rst
ixpk= 505, nxpk= 10, iat= -1,1192, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr1=1194,1157,1158,
&end
#
# 100 LEU HG 100 LEU HN 4.50 (# 506:10 Preassigned 2.30, 4.05 A)
&rst
ixpk= 506, nxpk= 10, iat=1199,1192, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:507 100 LEU HN 4.50 (# 507:10 Single Ambig)
&rst
ixpk= 507, nxpk= 10, iat= -1,1192, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1= 370, 371, 372, 363, 364, 365, 514, 515, 516, 518,
519, 520,1505,1506,1507,
&end
#
# 100 LEU HB- 100 LEU HN 6.00 (# 508:10 Unique 2.05, 2.66 A)
&rst
ixpk= 508, nxpk= 10, iat= -1,1192, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1196,1197,
&end
#
# 100 LEU MDY 100 LEU HN 6.00 (# 509:10 Unique 2.27, 4.58 A)
&rst
ixpk= 509, nxpk= 10, iat= -1,1192, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1201,1202,1203,1205,1206,1207,
&end
#
# 0 AMB 10-2:510 132 GLN HN 6.00 (# 510:10 Single Ambig)
&rst
ixpk= 510, nxpk= 10, iat= -1,1737, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1717,1756,
&end
#
# 74 GLU HA 74 GLU HN 3.50 (# 511:10 Unique 2.76, 2.83 A)
&rst
ixpk= 511, nxpk= 10, iat= 782, 780, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:512 74 GLU HN 2.80 (# 512:10 Single Ambig)
&rst
ixpk= 512, nxpk= 10, iat= -1, 780, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 770, 771, 770, 771,
&end
#
# 0 AMB 10-2:513 74 GLU HN 4.50 (# 513:10 Single Ambig)
&rst
ixpk= 513, nxpk= 10, iat= -1, 780, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 787, 788, 787, 788,
&end
#
# 0 AMB 10-2:514 74 GLU HN 3.50 (# 514:10 Single Ambig)
&rst
ixpk= 514, nxpk= 10, iat= -1, 780, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 784, 785, 784, 785,
&end
#
# 41 TYR HN 42 ASP HN 4.50 (# 515:10 Unique 2.76, 2.85 A)
&rst
ixpk= 515, nxpk= 10, iat= 248, 269, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 LEU HN 42 ASP HN 3.50 (# 516:10 Unique 2.71, 2.77 A)
&rst
ixpk= 516, nxpk= 10, iat= 281, 269, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 42 ASP HB+ 42 ASP HN 2.80 (# 517:10 Unique 2.26, 2.50 A)
&rst
ixpk= 517, nxpk= 10, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 273, 274,
&end
#
# 42 ASP HB- 42 ASP HN 3.50 (# 518:10 Unique 2.26, 2.50 A)
&rst
ixpk= 518, nxpk= 10, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 273, 274,
&end
#
# 0 AMB 10-2:519 42 ASP HN 3.50 (# 519:10 Single Ambig)
&rst
ixpk= 519, nxpk= 10, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 271, 219,
&end
#
# 41 TYR HB+ 42 ASP HN 4.50 (# 520:10 Unique 2.51, 3.34 A)
&rst
ixpk= 520, nxpk= 10, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 252, 253,
&end
#
# 41 TYR HB- 42 ASP HN 4.50 (# 521:10 Unique 2.51, 3.34 A)
&rst
ixpk= 521, nxpk= 10, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 252, 253,
&end
#
# 143 MET HN 144 GLU HN 3.50 (# 522:10 Unique 2.45, 2.54 A)
&rst
ixpk= 522, nxpk= 10, iat=1906,1923, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 145 ASN HN 144 GLU HN 2.80 (# 523:10 Unique 2.56, 2.69 A)
&rst
ixpk= 523, nxpk= 10, iat=1938,1923, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 143 MET HA 144 GLU HN 4.50 (# 524:10 Unique 3.51, 3.55 A)
&rst
ixpk= 524, nxpk= 10, iat=1908,1923, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 141 ALA HA 144 GLU HN 4.50 (# 525:10 Unique 3.26, 3.36 A)
&rst
ixpk= 525, nxpk= 10, iat=1888,1923, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 144 GLU HG- 144 GLU HN 4.50 (# 526:10 Unique 2.54, 4.04 A)
&rst
ixpk= 526, nxpk= 10, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1930,1931,
&end
#
# 144 GLU HG+ 144 GLU HN 4.50 (# 527:10 Unique 2.54, 4.04 A)
&rst
ixpk= 527, nxpk= 10, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1930,1931,
&end
#
# 144 GLU HB+ 144 GLU HN 3.50 (# 528:10 Unique 2.29, 2.67 A)
&rst
ixpk= 528, nxpk= 10, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1927,1928,
&end
#
# 144 GLU HB- 144 GLU HN 2.80 (# 529:10 Unique 2.29, 2.67 A)
&rst
ixpk= 529, nxpk= 10, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1927,1928,
&end
#
# 0 AMB 10-2:530 0 AMB 10-1:530 4.50 (# 530:10 Double Ambig)
&rst
ixpk= 530, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=2063,2064,2065,2067,2068,2069,1126,1127,1128,1130,
1131,1132,2122,2123,2124,2126,2127,2128,1171,1172,
1173,1175,1176,1177,
igr2=1181,2105,
&end
#
# 76 GLU HN 73 ASN HN 4.50 (# 531:10 Unique 2.99, 3.12 A)
&rst
ixpk= 531, nxpk= 10, iat= 810, 766, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 72 ILE HN 73 ASN HN 2.80 (# 532:10 Unique 1.91, 2.08 A)
&rst
ixpk= 532, nxpk= 10, iat= 747, 766, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 72 ILE HA 73 ASN HN 3.50 (# 533:10 Unique 3.51, 3.53 A)
&rst
ixpk= 533, nxpk= 10, iat= 749, 766, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:534 73 ASN HN 4.50 (# 534:10 Single Ambig)
&rst
ixpk= 534, nxpk= 10, iat= -1, 766, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 770, 771, 770, 771,
&end
#
# 0 AMB 10-2:535 73 ASN HN 4.50 (# 535:10 Single Ambig)
&rst
ixpk= 535, nxpk= 10, iat= -1, 766, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 739, 740, 817, 818,
&end
#
# 71 GLU HG+ 73 ASN HN 6.00 (# 536:10 Unique 2.40, 3.49 A)
&rst
ixpk= 536, nxpk= 10, iat= -1, 766, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 739, 740,
&end
#
# 0 AMB 10-2:537 73 ASN HN 3.50 (# 537:10 Single Ambig)
&rst
ixpk= 537, nxpk= 10, iat= -1, 766, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 751, 814, 815,
&end
#
# 73 ASN HA 73 ASN HN 3.50 (# 538:10 Unique 2.85, 2.90 A)
&rst
ixpk= 538, nxpk= 10, iat= 768, 766, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 ILE QG2 73 ASN HN 4.50 (# 539:10 Unique 3.46, 4.34 A)
&rst
ixpk= 539, nxpk= 10, iat= -1, 766, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 753, 754, 755,
&end
#
# 0 AMB 10-2:540 144 GLU HN 6.00 (# 540:10 Single Ambig)
&rst
ixpk= 540, nxpk= 10, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1=1880,1881,1882,1900,1901,1902,1890,1891,1892,
&end
#
# 156 VAL HN 155 CYS HN 3.50 (# 541:10 Unique 2.49, 2.72 A)
&rst
ixpk= 541, nxpk= 10, iat=2116,2105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 155 CYS HA 155 CYS HN 4.50 (# 542:10 Unique 2.85, 2.89 A)
&rst
ixpk= 542, nxpk= 10, iat=2107,2105, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 154 GLN HB+ 155 CYS HN 4.50 (# 543:10 Unique 2.78, 3.31 A)
&rst
ixpk= 543, nxpk= 10, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2092,2093,
&end
#
# 154 GLN HB- 155 CYS HN 4.50 (# 544:10 Unique 2.78, 3.31 A)
&rst
ixpk= 544, nxpk= 10, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2092,2093,
&end
#
# 100 LEU HN 99 CYS HN 3.50 (# 545:10 Unique 2.74, 2.88 A)
&rst
ixpk= 545, nxpk= 10, iat=1192,1181, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 154 GLN HN 155 CYS HN 3.50 (# 546:10 Unique 2.65, 2.76 A)
&rst
ixpk= 546, nxpk= 10, iat=2088,2105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:547 0 AMB 10-1:547 4.50 (# 547:10 Double Ambig)
&rst
ixpk= 547, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2090,1164,2075,
igr2=2105,1181,
&end
#
# 99 CYS HA 99 CYS HN 4.50 (# 548:10 Unique 2.84, 2.86 A)
&rst
ixpk= 548, nxpk= 10, iat=1183,1181, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 155 CYS HB- 155 CYS HN 3.50 (# 549:10 Unique 2.29, 2.99 A)
&rst
ixpk= 549, nxpk= 10, iat= -1,2105, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2109,2110,
&end
#
# 0 AMB 10-2:550 0 AMB 10-1:550 4.50 (# 550:10 Double Ambig)
&rst
ixpk= 550, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=2122,2123,2124,2126,2127,2128,1760,1761,1762,
igr2=2105,1181,
&end
#
# 99 CYS HB+ 99 CYS HN 3.50 (# 551:10 Unique 2.39, 2.95 A)
&rst
ixpk= 551, nxpk= 10, iat= -1,1181, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1185,1186,
&end
#
# 153 GLU HN 154 GLN HN 4.50 (# 552:10 Unique 2.75, 2.89 A)
&rst
ixpk= 552, nxpk= 10, iat=2073,2088, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 155 CYS HN 154 GLN HN 3.50 (# 553:10 Unique 2.65, 2.76 A)
&rst
ixpk= 553, nxpk= 10, iat=2105,2088, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 154 GLN HA 154 GLN HN 3.50 (# 554:10 Unique 2.84, 2.88 A)
&rst
ixpk= 554, nxpk= 10, iat=2090,2088, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:555 154 GLN HN 4.50 (# 555:10 Single Ambig)
&rst
ixpk= 555, nxpk= 10, iat= -1,2088, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2080,2081,2080,2081,
&end
#
# 154 GLN HB+ 154 GLN HN 2.80 (# 556:10 Unique 2.10, 2.96 A)
&rst
ixpk= 556, nxpk= 10, iat= -1,2088, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2092,2093,
&end
#
# 154 GLN HB- 154 GLN HN 3.50 (# 557:10 Unique 2.10, 2.96 A)
&rst
ixpk= 557, nxpk= 10, iat= -1,2088, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2092,2093,
&end
#
# 150 GLU HB+ 154 GLN HN 6.00 (# 558:10 Unique 4.79, 5.71 A)
&rst
ixpk= 558, nxpk= 10, iat= -1,2088, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2027,2028,
&end
#
# 151 ILE HA 154 GLN HN 4.50 (# 559:10 Unique 3.17, 3.56 A)
&rst
ixpk= 559, nxpk= 10, iat=2040,2088, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 102 VAL HA 0 AMB 10-1:560 8.00 (# 560:10 Single Ambig)
&rst
ixpk= 560, nxpk= 10, iat=1237, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1273,1211,
&end
#
# 134 ASN HB+ 134 ASN HN 6.00 (# 562:10 Unique 2.34, 2.66 A)
&rst
ixpk= 562, nxpk= 10, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1777,1778,
&end
#
# 57 GLU HN 56 LEU HN 8.00 (# 563:10 Unique 2.75, 2.86 A)
&rst
ixpk= 563, nxpk= 10, iat= 524, 505, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:564 56 LEU HN 3.50 (# 564:10 Single Ambig)
&rst
ixpk= 564, nxpk= 10, iat= -1, 505, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 493, 495,
&end
#
# 56 LEU HA 56 LEU HN 8.00 (# 565:10 Unique 2.80, 2.86 A)
&rst
ixpk= 565, nxpk= 10, iat= 507, 505, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 55 THR MG2 56 LEU HN 4.50 (# 566:10 Unique 3.94, 4.58 A)
&rst
ixpk= 566, nxpk= 10, iat= -1, 505, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 497, 498, 499,
&end
#
# 0 AMB 10-2:567 56 LEU HN 3.50 (# 567:10 Single Ambig)
&rst
ixpk= 567, nxpk= 10, iat= -1, 505, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 514, 515, 516, 518, 519, 520, 363, 364, 365,
&end
#
# 102 VAL HN 101 ARG HN 4.50 (# 568:10 Unique 2.89, 3.04 A)
&rst
ixpk= 568, nxpk= 10, iat=1235,1211, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 LEU HN 101 ARG HN 6.00 (# 569:10 Unique 2.78, 2.99 A)
&rst
ixpk= 569, nxpk= 10, iat=1192,1211, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 105 GLN HN 104 LEU HN 4.50 (# 570:10 Unique 2.73, 2.81 A)
&rst
ixpk= 570, nxpk= 10, iat=1292,1273, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 103 LYS HN 104 LEU HN 4.50 (# 571:10 Unique 2.81, 2.90 A)
&rst
ixpk= 571, nxpk= 10, iat=1251,1273, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 101 ARG HA 0 AMB 10-1:572 4.50 (# 572:10 Single Ambig)
&rst
ixpk= 572, nxpk= 10, iat=1213, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1211,1273,
&end
#
# 0 AMB 10-2:573 104 LEU HN 3.50 (# 573:10 Single Ambig)
&rst
ixpk= 573, nxpk= 10, iat= -1,1273, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1255,1256,1255,1256,
&end
#
# 116 ILE QG2 101 ARG HN 3.50 (# 574:10 Preassigned 3.62, 4.69 A)
&rst
ixpk= 574, nxpk= 10, iat= -1,1211, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1498,1499,1500,
&end
#
# 104 LEU HA 104 LEU HN 4.50 (# 575:10 Unique 2.87, 2.90 A)
&rst
ixpk= 575, nxpk= 10, iat=1275,1273, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:576 0 AMB 10-1:576 3.50 (# 576:10 Double Ambig)
&rst
ixpk= 576, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1282,1283,1284,1286,1287,1288,1282,1283,1284,1286,
1287,1288,
igr2=1273,1211,
&end
#
# 133 ILE HG1- 134 ASN HN 6.00 (# 577:10 Unique 2.53, 2.93 A)
&rst
ixpk= 577, nxpk= 10, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1764,1765,
&end
#
# 133 ILE HN 134 ASN HN 3.50 (# 578:10 Unique 2.54, 2.65 A)
&rst
ixpk= 578, nxpk= 10, iat=1754,1773, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 135 ASP HN 134 ASN HN 3.50 (# 579:10 Unique 2.27, 2.50 A)
&rst
ixpk= 579, nxpk= 10, iat=1787,1773, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 134 ASN HB- 134 ASN HN 4.50 (# 580:10 Unique 2.34, 2.66 A)
&rst
ixpk= 580, nxpk= 10, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1777,1778,
&end
#
# 149 ARG HA 150 GLU HN 6.00 (# 581:10 Unique 3.62, 3.64 A)
&rst
ixpk= 581, nxpk= 10, iat=2001,2023, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 52 LYS HN 51 GLU HN 2.80 (# 582:10 Unique 2.02, 2.16 A)
&rst
ixpk= 582, nxpk= 10, iat= 441, 426, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 51 GLU HA 51 GLU HN 4.50 (# 583:10 Unique 2.24, 2.96 A)
&rst
ixpk= 583, nxpk= 10, iat= 428, 426, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 GLU HB+ 51 GLU HN 3.50 (# 584:10 Unique 2.43, 2.97 A)
&rst
ixpk= 584, nxpk= 10, iat= -1, 426, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 430, 431,
&end
#
# 51 GLU HB- 51 GLU HN 3.50 (# 585:10 Unique 2.43, 2.97 A)
&rst
ixpk= 585, nxpk= 10, iat= -1, 426, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 430, 431,
&end
#
# 0 AMB 10-2:586 51 GLU HN 6.00 (# 586:10 Single Ambig)
&rst
ixpk= 586, nxpk= 10, iat= -1, 426, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 419, 420, 451, 452,
&end
#
# 0 AMB 10-2:587 51 GLU HN 4.50 (# 587:10 Single Ambig)
&rst
ixpk= 587, nxpk= 10, iat= -1, 426, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1083,1084,1085,1087,1088,1089,1083,1084,1085,1087,
1088,1089,
&end
#
# 0 AMB 10-2:588 150 GLU HN 4.50 (# 588:10 Single Ambig)
&rst
ixpk= 588, nxpk= 10, iat= -1,2023, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1962,1982,
&end
#
# 150 GLU HG- 150 GLU HN 4.50 (# 589:10 Unique 2.31, 3.69 A)
&rst
ixpk= 589, nxpk= 10, iat= -1,2023, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2030,2031,
&end
#
# 149 ARG HN 150 GLU HN 4.50 (# 590:10 Unique 2.95, 3.04 A)
&rst
ixpk= 590, nxpk= 10, iat=1999,2023, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 150 GLU HA 150 GLU HN 3.50 (# 591:10 Unique 2.80, 2.83 A)
&rst
ixpk= 591, nxpk= 10, iat=2025,2023, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 150 GLU HB- 150 GLU HN 2.80 (# 592:10 Unique 2.28, 2.78 A)
&rst
ixpk= 592, nxpk= 10, iat= -1,2023, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2027,2028,
&end
#
# 0 AMB 10-2:593 150 GLU HN 2.80 (# 593:10 Single Ambig)
&rst
ixpk= 593, nxpk= 10, iat= -1,2023, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2003,2004,2027,2028,
&end
#
# 149 ARG HB- 150 GLU HN 4.50 (# 594:10 Unique 2.26, 3.19 A)
&rst
ixpk= 594, nxpk= 10, iat= -1,2023, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2003,2004,
&end
#
# 0 AMB 10-2:595 150 GLU HN 6.00 (# 595:10 Single Ambig)
&rst
ixpk= 595, nxpk= 10, iat= -1,2023, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=2006,2007,2006,2007,
&end
#
# 43 LEU HA 43 LEU HN 3.50 (# 596:10 Unique 2.85, 2.86 A)
&rst
ixpk= 596, nxpk= 10, iat= 283, 281, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 39 GLU HA 43 LEU HN 4.50 (# 597:10 Unique 4.05, 4.22 A)
&rst
ixpk= 597, nxpk= 10, iat= 219, 281, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 ASP HB+ 43 LEU HN 6.00 (# 598:10 Unique 2.74, 3.48 A)
&rst
ixpk= 598, nxpk= 10, iat= -1, 281, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 273, 274,
&end
#
# 43 LEU HB+ 43 LEU HN 4.50 (# 599:10 Unique 2.10, 2.50 A)
&rst
ixpk= 599, nxpk= 10, iat= -1, 281, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 285, 286,
&end
#
# 43 LEU MDY 43 LEU HN 3.50 (# 601:10 Unique 3.00, 5.00 A)
&rst
ixpk= 601, nxpk= 10, iat= -1, 281, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 290, 291, 292, 294, 295, 296,
&end
#
# 105 GLN HB+ 106 ARG HN 6.00 (# 602:10 Unique 2.64, 3.44 A)
&rst
ixpk= 602, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1296,1297,
&end
#
# 105 GLN HB- 106 ARG HN 6.00 (# 603:10 Unique 2.64, 3.44 A)
&rst
ixpk= 603, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1296,1297,
&end
#
# 0 AMB 10-2:604 106 ARG HN 2.80 (# 604:10 Single Ambig)
&rst
ixpk= 604, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1313,1314,1313,1314,1316,1317,
&end
#
# 105 GLN HN 106 ARG HN 4.50 (# 605:10 Unique 2.84, 2.89 A)
&rst
ixpk= 605, nxpk= 10, iat=1292,1309, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 106 ARG HA 106 ARG HN 4.50 (# 606:10 Unique 2.89, 2.94 A)
&rst
ixpk= 606, nxpk= 10, iat=1311,1309, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 106 ARG HG+ 106 ARG HN 4.50 (# 607:10 Unique 2.52, 3.29 A)
&rst
ixpk= 607, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1316,1317,
&end
#
# 0 AMB 10-2:608 43 LEU HN 4.50 (# 608:10 Single Ambig)
&rst
ixpk= 608, nxpk= 10, iat= -1, 281, r1= 0.00, r2= 1.80, r3= 6.90, r4= 7.65,
igr1= 288,1282,1283,1284,1286,1287,1288,1282,1283,1284,
1286,1287,1288,
&end
#
# 42 ASP HN 43 LEU HN 4.50 (# 609:10 Unique 2.71, 2.77 A)
&rst
ixpk= 609, nxpk= 10, iat= 269, 281, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:611 0 AMB 10-1:611 2.80 (# 611:10 Double Ambig)
&rst
ixpk= 611, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 770, 771, 770, 771,
igr2= 775, 776, 775, 776,
&end
#
# 72 ILE QG2 73 ASN HD2+ 4.50 (# 612:10 Unique 2.33, 5.85 A)
&rst
ixpk= 612, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 753, 754, 755,
igr2= 775, 776,
&end
#
# 59 LEU HA 59 LEU HN 4.50 (# 613:10 Unique 2.91, 2.94 A)
&rst
ixpk= 613, nxpk= 10, iat= 556, 554, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:615 73 ASN HD2- 3.50 (# 615:10 Single Ambig)
&rst
ixpk= 615, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 770, 771, 770, 771,
igr2= 775, 776,
&end
#
# 148 LEU HN 147 ASN HN 2.80 (# 616:10 Unique 2.74, 2.80 A)
&rst
ixpk= 616, nxpk= 10, iat=1980,1966, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 147 ASN HA 147 ASN HN 4.50 (# 617:10 Unique 2.83, 2.85 A)
&rst
ixpk= 617, nxpk= 10, iat=1968,1966, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 146 PRO HA 147 ASN HN 4.50 (# 618:10 Unique 3.61, 3.63 A)
&rst
ixpk= 618, nxpk= 10, iat=1962,1966, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 146 PRO HD- 147 ASN HN 4.50 (# 619:10 Unique 2.79, 3.48 A)
&rst
ixpk= 619, nxpk= 10, iat= -1,1966, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1953,1954,
&end
#
# 0 AMB 10-2:620 147 ASN HN 2.80 (# 620:10 Single Ambig)
&rst
ixpk= 620, nxpk= 10, iat= -1,1966, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1970,1971,1970,1971,
&end
#
# 149 ARG HN 147 ASN HN 6.00 (# 621:10 Unique 4.17, 4.31 A)
&rst
ixpk= 621, nxpk= 10, iat=1999,1966, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 146 PRO HB- 147 ASN HN 3.50 (# 622:10 Unique 2.49, 3.61 A)
&rst
ixpk= 622, nxpk= 10, iat= -1,1966, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1959,1960,
&end
#
# 58 GLU HB+ 59 LEU HN 6.00 (# 623:10 Unique 2.61, 3.21 A)
&rst
ixpk= 623, nxpk= 10, iat= -1, 554, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 543, 544,
&end
#
# 0 AMB 10-2:624 59 LEU HN 3.50 (# 624:10 Single Ambig)
&rst
ixpk= 624, nxpk= 10, iat= -1, 554, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 539, 573,
&end
#
# 56 LEU HA 59 LEU HN 4.50 (# 625:10 Unique 2.94, 3.33 A)
&rst
ixpk= 625, nxpk= 10, iat= 507, 554, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 LEU HB+ 59 LEU HN 4.50 (# 626:10 Unique 2.17, 2.92 A)
&rst
ixpk= 626, nxpk= 10, iat= -1, 554, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 558, 559,
&end
#
# 152 VAL HN 153 GLU HN 4.50 (# 627:10 Unique 2.81, 2.91 A)
&rst
ixpk= 627, nxpk= 10, iat=2057,2073, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 154 GLN HN 153 GLU HN 4.50 (# 628:10 Unique 2.75, 2.89 A)
&rst
ixpk= 628, nxpk= 10, iat=2088,2073, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 153 GLU HA 153 GLU HN 3.50 (# 629:10 Unique 2.82, 2.85 A)
&rst
ixpk= 629, nxpk= 10, iat=2075,2073, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 152 VAL HB 153 GLU HN 3.50 (# 630:10 Unique 2.56, 2.79 A)
&rst
ixpk= 630, nxpk= 10, iat=2061,2073, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 153 GLU HB- 153 GLU HN 4.50 (# 631:10 Unique 2.34, 2.99 A)
&rst
ixpk= 631, nxpk= 10, iat= -1,2073, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2077,2078,
&end
#
# 0 AMB 10-2:632 153 GLU HN 4.50 (# 632:10 Single Ambig)
&rst
ixpk= 632, nxpk= 10, iat= -1,2073, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2063,2064,2065,2067,2068,2069,2122,2123,2124,2126,
2127,2128,
&end
#
# 0 AMB 10-2:633 153 GLU HN 4.50 (# 633:10 Single Ambig)
&rst
ixpk= 633, nxpk= 10, iat= -1,2073, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2063,2064,2065,2067,2068,2069,2122,2123,2124,2126,
2127,2128,
&end
#
# 0 AMB 10-2:634 60 GLU HN 6.00 (# 634:10 Single Ambig)
&rst
ixpk= 634, nxpk= 10, iat= -1, 573, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 594, 595, 596, 598, 599, 600, 509, 510,
&end
#
# 85 PRO HB- 87 VAL HN 4.50 (# 635:10 Unique 2.46, 3.68 A)
&rst
ixpk= 635, nxpk= 10, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 984, 985,
&end
#
# 87 VAL MGY 87 VAL HN 6.00 (# 636:10 Unique 2.01, 3.81 A)
&rst
ixpk= 636, nxpk= 10, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1011,1012,1013,1015,1016,1017,
&end
#
# 87 VAL HB 87 VAL HN 4.50 (# 637:10 Unique 3.01, 3.72 A)
&rst
ixpk= 637, nxpk= 10, iat=1009,1005, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 87 VAL MGX 87 VAL HN 3.50 (# 638:10 Unique 2.01, 3.81 A)
&rst
ixpk= 638, nxpk= 10, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1011,1012,1013,1015,1016,1017,
&end
#
# 87 VAL HA 87 VAL HN 4.50 (# 639:10 Unique 2.91, 2.96 A)
&rst
ixpk= 639, nxpk= 10, iat=1007,1005, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 VAL HN 60 GLU HN 4.50 (# 640:10 Unique 2.72, 2.84 A)
&rst
ixpk= 640, nxpk= 10, iat= 588, 573, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 GLU HA 60 GLU HN 2.80 (# 641:10 Unique 2.21, 2.23 A)
&rst
ixpk= 641, nxpk= 10, iat= 575, 573, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:642 60 GLU HN 3.50 (# 642:10 Single Ambig)
&rst
ixpk= 642, nxpk= 10, iat= -1, 573, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 580, 581, 577, 578,
&end
#
# 59 LEU HN 60 GLU HN 4.50 (# 643:10 Unique 2.56, 2.72 A)
&rst
ixpk= 643, nxpk= 10, iat= 554, 573, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 VAL HN 60 GLU HN 8.00 (# 644:10 Unique 4.07, 4.32 A)
&rst
ixpk= 644, nxpk= 10, iat= 604, 573, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 60 GLU HG- 60 GLU HN 3.50 (# 645:10 Unique 2.86, 3.10 A)
&rst
ixpk= 645, nxpk= 10, iat= -1, 573, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 580, 581,
&end
#
# 86 THR HN 87 VAL HN 8.00 (# 646:10 Unique 2.56, 2.75 A)
&rst
ixpk= 646, nxpk= 10, iat= 991,1005, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 62 VAL HA 63 SER HN 3.50 (# 647:10 Unique 2.04, 2.20 A)
&rst
ixpk= 647, nxpk= 10, iat= 606, 620, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 62 VAL HB 63 SER HN 4.50 (# 648:10 Unique 2.41, 3.34 A)
&rst
ixpk= 648, nxpk= 10, iat= 608, 620, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 VAL MGY 63 SER HN 4.50 (# 649:10 Unique 2.55, 4.33 A)
&rst
ixpk= 649, nxpk= 10, iat= -1, 620, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 610, 611, 612, 614, 615, 616,
&end
#
# 0 AMB 10-2:650 63 SER HN 6.00 (# 650:10 Single Ambig)
&rst
ixpk= 650, nxpk= 10, iat= -1, 620, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 661, 662, 624, 625,
&end
#
# 0 AMB 10-2:652 0 AMB 10-1:652 4.50 (# 652:10 Double Ambig)
&rst
ixpk= 652, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1970,1971,1970,1971,
igr2=1975,1976,1975,1976,
&end
#
# 0 AMB 10-2:653 147 ASN HD2- 4.50 (# 653:10 Single Ambig)
&rst
ixpk= 653, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1970,1971,1970,1971,
igr2=1975,1976,
&end
#
# 62 VAL MGX 63 SER HN 4.50 (# 655:10 Unique 2.55, 4.33 A)
&rst
ixpk= 655, nxpk= 10, iat= -1, 620, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 610, 611, 612, 614, 615, 616,
&end
#
# 145 ASN HB- 145 ASN HD2+ 4.50 (# 657:10 Unique 2.25, 3.35 A)
&rst
ixpk= 657, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1942,1943,
igr2=1947,1948,
&end
#
# 145 ASN HB- 145 ASN HD2- 6.00 (# 659:10 Unique 2.25, 3.35 A)
&rst
ixpk= 659, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1942,1943,
igr2=1947,1948,
&end
#
# 148 LEU MDX 145 ASN HD2- 6.00 (# 660:10 Unique 3.55, 5.81 A)
&rst
ixpk= 660, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1989,1990,1991,1993,1994,1995,
igr2=1947,1948,
&end
#
# 0 AMB 10-2:662 0 AMB 10-1:662 4.50 (# 662:10 Double Ambig)
&rst
ixpk= 662, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=2199,2200,2199,2200,
igr2=2204,2205,2204,2205,
&end
#
# 0 AMB 10-2:664 161 GLN HE2- 6.00 (# 664:10 Single Ambig)
&rst
ixpk= 664, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=2199,2200,2199,2200,
igr2=2204,2205,
&end
#
# 108 LEU HN 107 CYS HN 3.50 (# 666:10 Unique 2.47, 2.64 A)
&rst
ixpk= 666, nxpk= 10, iat=1344,1333, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 107 CYS HA 107 CYS HN 4.50 (# 667:10 Unique 2.88, 2.94 A)
&rst
ixpk= 667, nxpk= 10, iat=1335,1333, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 107 CYS HB+ 107 CYS HN 4.50 (# 668:10 Unique 2.40, 3.02 A)
&rst
ixpk= 668, nxpk= 10, iat= -1,1333, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1337,1338,
&end
#
# 0 AMB 10-2:669 107 CYS HN 4.50 (# 669:10 Single Ambig)
&rst
ixpk= 669, nxpk= 10, iat= -1,1333, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1313,1314,1313,1314,
&end
#
# 0 AMB 10-2:670 107 CYS HN 6.00 (# 670:10 Single Ambig)
&rst
ixpk= 670, nxpk= 10, iat= -1,1333, r1= 0.00, r2= 1.80, r3= 9.20, r4= 9.95,
igr1=1282,1283,1284,1286,1287,1288,1282,1283,1284,1286,
1287,1288, 288,
&end
#
# 107 CYS HB- 107 CYS HN 4.50 (# 671:10 Unique 2.40, 3.02 A)
&rst
ixpk= 671, nxpk= 10, iat= -1,1333, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1337,1338,
&end
#
# 95 LEU HN 94 THR HN 4.50 (# 672:10 Unique 2.62, 2.73 A)
&rst
ixpk= 672, nxpk= 10, iat=1117,1103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 THR HB 94 THR HN 4.50 (# 673:10 Unique 2.51, 3.22 A)
&rst
ixpk= 673, nxpk= 10, iat=1107,1103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 THR HA 94 THR HN 4.50 (# 674:10 Unique 2.84, 2.89 A)
&rst
ixpk= 674, nxpk= 10, iat=1105,1103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 93 ALA MB 94 THR HN 4.50 (# 675:10 Unique 2.37, 3.44 A)
&rst
ixpk= 675, nxpk= 10, iat= -1,1103, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1097,1098,1099,
&end
#
# 94 THR MG2 94 THR HN 4.50 (# 676:10 Unique 2.42, 3.85 A)
&rst
ixpk= 676, nxpk= 10, iat= -1,1103, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1109,1110,1111,
&end
#
# 0 AMB 10-2:677 143 MET HN 6.00 (# 677:10 Single Ambig)
&rst
ixpk= 677, nxpk= 10, iat= -1,1906, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1171,1172,1173,1175,1176,1177,1171,1172,1173,1175,
1176,1177,
&end
#
# 142 ALA HN 143 MET HN 3.50 (# 678:10 Unique 2.74, 2.78 A)
&rst
ixpk= 678, nxpk= 10, iat=1896,1906, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 144 GLU HN 143 MET HN 3.50 (# 679:10 Unique 2.45, 2.54 A)
&rst
ixpk= 679, nxpk= 10, iat=1923,1906, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 143 MET HA 143 MET HN 4.50 (# 680:10 Unique 2.92, 2.95 A)
&rst
ixpk= 680, nxpk= 10, iat=1908,1906, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 143 MET HG- 143 MET HN 3.50 (# 681:10 Unique 2.40, 3.18 A)
&rst
ixpk= 681, nxpk= 10, iat= -1,1906, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1913,1914,
&end
#
# 143 MET HB+ 143 MET HN 2.80 (# 682:10 Unique 2.36, 3.02 A)
&rst
ixpk= 682, nxpk= 10, iat= -1,1906, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1910,1911,
&end
#
# 142 ALA MB 143 MET HN 3.50 (# 683:10 Unique 2.73, 3.65 A)
&rst
ixpk= 683, nxpk= 10, iat= -1,1906, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1900,1901,1902,
&end
#
# 93 ALA HN 94 THR HN 4.50 (# 684:10 Unique 2.72, 2.87 A)
&rst
ixpk= 684, nxpk= 10, iat=1093,1103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:686 0 AMB 10-1:686 3.50 (# 686:10 Double Ambig)
&rst
ixpk= 686, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1299,1300,1299,1300,
igr2=1304,1305,1304,1305,
&end
#
# 132 GLN HG+ 132 GLN HE2+ 4.50 (# 688:10 Unique 2.27, 3.33 A)
&rst
ixpk= 688, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1744,1745,
igr2=1749,1750,
&end
#
# 0 AMB 10-2:690 0 AMB 10-1:690 4.50 (# 690:10 Double Ambig)
&rst
ixpk= 690, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1299,1300,1744,1745,
igr2=1304,1305,1749,1750,
&end
#
# 105 GLN HB+ 105 GLN HE2- 8.00 (# 691:10 Unique 2.91, 4.09 A)
&rst
ixpk= 691, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=1296,1297,
igr2=1304,1305,
&end
#
# 114 LEU HG 105 GLN HE2- 8.00 (# 693:10 Unique 4.88, 7.84 A)
&rst
ixpk= 693, nxpk= 10, iat=1465, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1304,1305,
&end
#
# 132 GLN HG- 132 GLN HE2+ 4.50 (# 694:10 Unique 2.27, 3.33 A)
&rst
ixpk= 694, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1744,1745,
igr2=1749,1750,
&end
#
# 154 GLN HG+ 154 GLN HE2+ 4.50 (# 696:10 Unique 2.27, 3.37 A)
&rst
ixpk= 696, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2095,2096,
igr2=2100,2101,
&end
#
# 0 AMB 10-2:697 48 ARG HE 4.50 (# 697:10 Single Ambig)
&rst
ixpk= 697, nxpk= 10, iat= -1, 389, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 386, 387, 386, 387,
&end
#
# 0 AMB 10-2:698 48 ARG HE 4.50 (# 698:10 Single Ambig)
&rst
ixpk= 698, nxpk= 10, iat= -1, 389, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 380, 381, 383, 384,
&end
#
# 0 AMB 10-2:699 48 ARG HE 6.00 (# 699:10 Single Ambig)
&rst
ixpk= 699, nxpk= 10, iat= -1, 389, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 380, 381, 383, 384,
&end
#
# 154 GLN HG+ 154 GLN HE2- 4.50 (# 701:10 Unique 2.27, 3.37 A)
&rst
ixpk= 701, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2095,2096,
igr2=2100,2101,
&end
#
# 43 LEU HN 44 ILE HN 4.50 (# 702:10 Unique 2.48, 2.77 A)
&rst
ixpk= 702, nxpk= 10, iat= 281, 300, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:703 44 ILE HN 4.50 (# 703:10 Single Ambig)
&rst
ixpk= 703, nxpk= 10, iat= -1, 300, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 302, 283,
&end
#
# 44 ILE HB 44 ILE HN 4.50 (# 704:10 Preassigned 3.68, 3.73 A)
&rst
ixpk= 704, nxpk= 10, iat= 304, 300, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 ILE HG1+ 44 ILE HN 4.50 (# 705:10 Unique 2.06, 2.71 A)
&rst
ixpk= 705, nxpk= 10, iat= -1, 300, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 310, 311,
&end
#
# 44 ILE HG1- 44 ILE HN 4.50 (# 706:10 Unique 2.06, 2.71 A)
&rst
ixpk= 706, nxpk= 10, iat= -1, 300, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 310, 311,
&end
#
# 0 AMB 10-2:709 0 AMB 10-1:709 4.50 (# 709:10 Double Ambig)
&rst
ixpk= 709, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 719, 720, 691, 692,
igr2= 727, 728, 727, 728,
&end
#
# 0 AMB 10-2:710 0 AMB 10-1:710 3.50 (# 710:10 Double Ambig)
&rst
ixpk= 710, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 722, 723, 691, 692,
igr2= 727, 728, 727, 728,
&end
#
# 0 AMB 10-2:711 0 AMB 10-1:711 3.50 (# 711:10 Double Ambig)
&rst
ixpk= 711, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 894, 895, 896, 855, 856, 857, 859, 860, 861,
igr2= 727, 728, 727, 728,
&end
#
# 45 ARG HN 44 ILE HN 4.50 (# 712:10 Unique 2.21, 2.60 A)
&rst
ixpk= 712, nxpk= 10, iat= 319, 300, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 GLN HG+ 70 GLN HE2- 4.50 (# 714:10 Unique 2.35, 3.27 A)
&rst
ixpk= 714, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 722, 723,
igr2= 727, 728,
&end
#
# 0 AMB 10-2:715 70 GLN HE2- 4.50 (# 715:10 Single Ambig)
&rst
ixpk= 715, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 722, 723, 691, 692,
igr2= 727, 728,
&end
#
# 0 AMB 10-2:716 70 GLN HE2- 3.50 (# 716:10 Single Ambig)
&rst
ixpk= 716, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 894, 895, 896, 855, 856, 857, 859, 860, 861,
igr2= 727, 728,
&end
#
# 0 AMB 10-2:717 70 GLN HE2- 6.00 (# 717:10 Single Ambig)
&rst
ixpk= 717, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 688, 689, 688, 689,
igr2= 727, 728,
&end
#
# 42 ASP HA 45 ARG HE 6.00 (# 719:10 Unique 2.09, 2.71 A)
&rst
ixpk= 719, nxpk= 10, iat= 271, 332, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 45 ARG HD+ 45 ARG HE 6.00 (# 720:10 Unique 2.30, 2.69 A)
&rst
ixpk= 720, nxpk= 10, iat= -1, 332, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 329, 330,
&end
#
# 66 CYS HN 65 SER HN 4.50 (# 721:10 Unique 2.76, 2.84 A)
&rst
ixpk= 721, nxpk= 10, iat= 657, 646, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 GLU HN 65 SER HN 4.50 (# 722:10 Unique 2.65, 2.86 A)
&rst
ixpk= 722, nxpk= 10, iat= 631, 646, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 SER HA 65 SER HN 4.50 (# 723:10 Unique 2.80, 2.84 A)
&rst
ixpk= 723, nxpk= 10, iat= 648, 646, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:724 65 SER HN 4.50 (# 724:10 Single Ambig)
&rst
ixpk= 724, nxpk= 10, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 650, 651, 624, 625,
&end
#
# 65 SER HB- 65 SER HN 4.50 (# 725:10 Unique 2.35, 3.05 A)
&rst
ixpk= 725, nxpk= 10, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 650, 651,
&end
#
# 64 GLU HB+ 65 SER HN 4.50 (# 726:10 Unique 2.37, 3.30 A)
&rst
ixpk= 726, nxpk= 10, iat= -1, 646, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 635, 636,
&end
#
# 58 GLU HB- 55 THR HN 6.00 (# 727:10 Unique 2.29, 3.32 A)
&rst
ixpk= 727, nxpk= 10, iat= -1, 491, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 543, 544,
&end
#
# 54 ASN HA 55 THR HN 2.80 (# 728:10 Unique 2.26, 2.42 A)
&rst
ixpk= 728, nxpk= 10, iat= 479, 491, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 54 ASN HB+ 55 THR HN 4.50 (# 729:10 Unique 2.24, 3.11 A)
&rst
ixpk= 729, nxpk= 10, iat= -1, 491, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 481, 482,
&end
#
# 58 GLU HB+ 55 THR HN 4.50 (# 730:10 Unique 2.29, 3.32 A)
&rst
ixpk= 730, nxpk= 10, iat= -1, 491, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 543, 544,
&end
#
# 54 ASN HB- 55 THR HN 6.00 (# 731:10 Unique 2.24, 3.11 A)
&rst
ixpk= 731, nxpk= 10, iat= -1, 491, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 481, 482,
&end
#
# 55 THR MG2 55 THR HN 3.50 (# 732:10 Unique 2.25, 3.26 A)
&rst
ixpk= 732, nxpk= 10, iat= -1, 491, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 497, 498, 499,
&end
#
# 132 GLN HN 133 ILE HN 4.50 (# 733:10 Unique 2.78, 2.82 A)
&rst
ixpk= 733, nxpk= 10, iat=1737,1754, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 54 ASN HA 54 ASN HD2+ 4.50 (# 735:10 Unique 2.64, 3.77 A)
&rst
ixpk= 735, nxpk= 10, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 486, 487,
&end
#
# 54 ASN HB+ 54 ASN HD2+ 4.50 (# 736:10 Unique 2.24, 3.34 A)
&rst
ixpk= 736, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 481, 482,
igr2= 486, 487,
&end
#
# 0 AMB 10-2:737 0 AMB 10-1:737 6.00 (# 737:10 Double Ambig)
&rst
ixpk= 737, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1= 481, 482, 467, 468,
igr2= 486, 487, 486, 487,
&end
#
# 54 ASN HA 54 ASN HD2- 6.00 (# 739:10 Unique 2.64, 3.77 A)
&rst
ixpk= 739, nxpk= 10, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 486, 487,
&end
#
# 59 LEU MDY 54 ASN HD2- 6.00 (# 740:10 Unique 2.97, 6.38 A)
&rst
ixpk= 740, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 563, 564, 565, 567, 568, 569,
igr2= 486, 487,
&end
#
# 0 AMB 10-2:741 133 ILE HN 4.50 (# 741:10 Single Ambig)
&rst
ixpk= 741, nxpk= 10, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1741,1742,1741,1742,
&end
#
# 0 AMB 10-2:742 133 ILE HN 4.50 (# 742:10 Single Ambig)
&rst
ixpk= 742, nxpk= 10, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1767,1768,1769,1688,1689,1690,1171,1172,1173,1175,
1176,1177,
&end
#
# 134 ASN HN 133 ILE HN 4.50 (# 743:10 Unique 2.54, 2.65 A)
&rst
ixpk= 743, nxpk= 10, iat=1773,1754, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:744 133 ILE HN 6.00 (# 744:10 Single Ambig)
&rst
ixpk= 744, nxpk= 10, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1758,1719,1720,
&end
#
# 133 ILE HG1- 133 ILE HN 8.00 (# 745:10 Unique 2.13, 2.88 A)
&rst
ixpk= 745, nxpk= 10, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1764,1765,
&end
#
# 133 ILE QG2 133 ILE HN 4.50 (# 746:10 Unique 2.25, 3.16 A)
&rst
ixpk= 746, nxpk= 10, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1760,1761,1762,
&end
#
# 0 AMB 10-2:747 54 ASN HD2- 6.00 (# 747:10 Single Ambig)
&rst
ixpk= 747, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 481, 482, 467, 468,
igr2= 486, 487,
&end
#
# 0 AMB 10-2:748 156 VAL HN 6.00 (# 748:10 Single Ambig)
&rst
ixpk= 748, nxpk= 10, iat= -1,2116, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2107,2134,
&end
#
# 155 CYS HN 156 VAL HN 4.50 (# 749:10 Unique 2.49, 2.72 A)
&rst
ixpk= 749, nxpk= 10, iat=2105,2116, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 157 LEU HN 156 VAL HN 3.50 (# 750:10 Unique 2.37, 2.60 A)
&rst
ixpk= 750, nxpk= 10, iat=2132,2116, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 156 VAL HA 156 VAL HN 4.50 (# 751:10 Unique 2.82, 2.92 A)
&rst
ixpk= 751, nxpk= 10, iat=2118,2116, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 156 VAL MGY 156 VAL HN 3.50 (# 752:10 Unique 2.31, 3.48 A)
&rst
ixpk= 752, nxpk= 10, iat= -1,2116, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2122,2123,2124,2126,2127,2128,
&end
#
# 96 ILE HN 97 GLY HN 4.50 (# 754:10 Unique 2.75, 2.86 A)
&rst
ixpk= 754, nxpk= 10, iat=1136,1155, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 98 LEU HN 97 GLY HN 4.50 (# 755:10 Unique 2.70, 2.78 A)
&rst
ixpk= 755, nxpk= 10, iat=1162,1155, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 97 GLY HA+ 97 GLY HN 3.50 (# 756:10 Unique 2.29, 2.59 A)
&rst
ixpk= 756, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1157,1158,
&end
#
# 97 GLY HA- 97 GLY HN 4.50 (# 757:10 Unique 2.29, 2.59 A)
&rst
ixpk= 757, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1157,1158,
&end
#
# 96 ILE HB 97 GLY HN 6.00 (# 758:10 Unique 2.47, 2.58 A)
&rst
ixpk= 758, nxpk= 10, iat=1140,1155, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:759 97 GLY HN 6.00 (# 759:10 Single Ambig)
&rst
ixpk= 759, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 9.31, r4=10.06,
igr1=1767,1768,1769,1171,1172,1173,1175,1176,1177,1498,
1499,1500,1542,1543,
&end
#
# 96 ILE QD1 97 GLY HN 4.50 (# 760:10 Unique 4.84, 5.59 A)
&rst
ixpk= 760, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1149,1150,1151,
&end
#
# 0 AMB 10-2:762 62 VAL HN 4.50 (# 762:10 Single Ambig)
&rst
ixpk= 762, nxpk= 10, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 575, 507, 624, 625,
&end
#
# 61 VAL HN 62 VAL HN 2.80 (# 763:10 Unique 2.35, 2.58 A)
&rst
ixpk= 763, nxpk= 10, iat= 588, 604, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 62 VAL HA 62 VAL HN 4.50 (# 764:10 Unique 2.89, 2.97 A)
&rst
ixpk= 764, nxpk= 10, iat= 606, 604, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 VAL HB 62 VAL HN 4.50 (# 765:10 Unique 2.61, 3.02 A)
&rst
ixpk= 765, nxpk= 10, iat= 592, 604, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 VAL MGX 62 VAL HN 4.50 (# 766:10 Unique 3.46, 4.73 A)
&rst
ixpk= 766, nxpk= 10, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 594, 595, 596, 598, 599, 600,
&end
#
# 62 VAL MGY 62 VAL HN 4.50 (# 767:10 Unique 2.44, 3.95 A)
&rst
ixpk= 767, nxpk= 10, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 610, 611, 612, 614, 615, 616,
&end
#
# 62 VAL MGX 62 VAL HN 3.50 (# 768:10 Unique 2.44, 3.95 A)
&rst
ixpk= 768, nxpk= 10, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 610, 611, 612, 614, 615, 616,
&end
#
# 32 ILE HG1- 32 ILE HN 4.50 (# 769:10 Unique 2.24, 3.72 A)
&rst
ixpk= 769, nxpk= 10, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 110, 111,
&end
#
# 0 AMB 10-2:770 32 ILE HN 3.50 (# 770:10 Single Ambig)
&rst
ixpk= 770, nxpk= 10, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 104, 736, 737,
&end
#
# 32 ILE QG2 32 ILE HN 4.50 (# 771:10 Unique 2.97, 4.70 A)
&rst
ixpk= 771, nxpk= 10, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 106, 107, 108,
&end
#
# 32 ILE QD1 32 ILE HN 4.50 (# 772:10 Unique 2.54, 4.35 A)
&rst
ixpk= 772, nxpk= 10, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 113, 114, 115,
&end
#
# 33 MET HB+ 33 MET HN 4.50 (# 773:10 Unique 2.23, 3.10 A)
&rst
ixpk= 773, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 123, 124,
&end
#
# 0 AMB 10-2:774 33 MET HN 4.50 (# 774:10 Single Ambig)
&rst
ixpk= 774, nxpk= 10, iat= -1, 119, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 123, 124, 736, 737,
&end
#
# 35 GLU HN 34 GLU HN 4.50 (# 776:10 Unique 2.92, 3.10 A)
&rst
ixpk= 776, nxpk= 10, iat= 151, 136, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 MET HB- 34 GLU HN 4.50 (# 777:10 Unique 4.17, 4.42 A)
&rst
ixpk= 777, nxpk= 10, iat= -1, 136, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 123, 124,
&end
#
# 34 GLU HG- 34 GLU HN 4.50 (# 778:10 Unique 2.30, 4.00 A)
&rst
ixpk= 778, nxpk= 10, iat= -1, 136, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 143, 144,
&end
#
# 35 GLU HA 35 GLU HN 4.50 (# 779:10 Unique 2.85, 2.88 A)
&rst
ixpk= 779, nxpk= 10, iat= 153, 151, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 34 GLU HG- 35 GLU HN 8.00 (# 780:10 Unique 2.52, 3.80 A)
&rst
ixpk= 780, nxpk= 10, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 143, 144,
&end
#
# 0 AMB 10-2:781 35 GLU HN 2.80 (# 781:10 Single Ambig)
&rst
ixpk= 781, nxpk= 10, iat= -1, 151, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 155, 156, 155, 156, 140, 141,
&end
#
# 140 ALA HN 141 ALA HN 2.80 (# 782:10 Unique 2.80, 2.81 A)
&rst
ixpk= 782, nxpk= 10, iat=1876,1886, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 38 LEU HA 38 LEU HN 3.50 (# 783:10 Unique 2.84, 2.87 A)
&rst
ixpk= 783, nxpk= 10, iat= 200, 198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:784 38 LEU HN 3.50 (# 784:10 Single Ambig)
&rst
ixpk= 784, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 153, 138,
&end
#
# 38 LEU HA 39 GLU HN 4.50 (# 785:10 Unique 3.61, 3.62 A)
&rst
ixpk= 785, nxpk= 10, iat= 200, 217, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 39 GLU HB+ 40 VAL HN 4.50 (# 786:10 Unique 2.57, 3.11 A)
&rst
ixpk= 786, nxpk= 10, iat= -1, 232, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 221, 222,
&end
#
# 0 AMB 10-2:787 40 VAL HN 4.50 (# 787:10 Single Ambig)
&rst
ixpk= 787, nxpk= 10, iat= -1, 232, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 674, 675, 676, 678, 679, 680, 871, 872, 873, 875,
876, 877,
&end
#
# 41 TYR HB- 41 TYR HN 3.50 (# 788:10 Unique 2.14, 2.52 A)
&rst
ixpk= 788, nxpk= 10, iat= -1, 248, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 252, 253,
&end
#
# 0 AMB 10-2:789 42 ASP HN 4.50 (# 789:10 Single Ambig)
&rst
ixpk= 789, nxpk= 10, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 200, 283,
&end
#
# 44 ILE HN 43 LEU HN 2.80 (# 790:10 Unique 2.48, 2.77 A)
&rst
ixpk= 790, nxpk= 10, iat= 300, 281, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 43 LEU HB- 43 LEU HN 4.50 (# 791:10 Unique 2.10, 2.50 A)
&rst
ixpk= 791, nxpk= 10, iat= -1, 281, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 285, 286,
&end
#
# 33 MET HN 32 ILE HN 6.00 (# 792:10 Unique 3.20, 4.26 A)
&rst
ixpk= 792, nxpk= 10, iat= 119, 100, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:793 47 ILE HN 4.50 (# 793:10 Single Ambig)
&rst
ixpk= 793, nxpk= 10, iat= -1, 357, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 370, 371, 372, 514, 515, 516, 518, 519, 520, 363,
364, 365,
&end
#
# 47 ILE QG2 48 ARG HN 3.50 (# 794:10 Unique 2.65, 3.44 A)
&rst
ixpk= 794, nxpk= 10, iat= -1, 376, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 363, 364, 365,
&end
#
# 49 ASP HB- 49 ASP HN 4.50 (# 795:10 Unique 2.30, 2.50 A)
&rst
ixpk= 795, nxpk= 10, iat= -1, 400, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 404, 405,
&end
#
# 50 PRO HB+ 51 GLU HN 4.50 (# 796:10 Unique 2.93, 3.71 A)
&rst
ixpk= 796, nxpk= 10, iat= -1, 426, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 419, 420,
&end
#
# 52 LYS HB+ 52 LYS HN 6.00 (# 797:10 Unique 2.26, 3.08 A)
&rst
ixpk= 797, nxpk= 10, iat= -1, 441, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 445, 446,
&end
#
# 51 GLU HB- 52 LYS HN 8.00 (# 798:10 Unique 2.40, 3.19 A)
&rst
ixpk= 798, nxpk= 10, iat= -1, 441, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 430, 431,
&end
#
# 0 AMB 10-2:799 55 THR HN 8.00 (# 799:10 Single Ambig)
&rst
ixpk= 799, nxpk= 10, iat= -1, 491, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 493, 495,
&end
#
# 56 LEU HB- 56 LEU HN 4.50 (# 800:10 Unique 2.14, 2.92 A)
&rst
ixpk= 800, nxpk= 10, iat= -1, 505, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 509, 510,
&end
#
# 59 LEU HB- 59 LEU HN 3.50 (# 801:10 Unique 2.17, 2.92 A)
&rst
ixpk= 801, nxpk= 10, iat= -1, 554, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 558, 559,
&end
#
# 59 LEU MDY 59 LEU HN 4.50 (# 802:10 Unique 2.32, 4.06 A)
&rst
ixpk= 802, nxpk= 10, iat= -1, 554, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 563, 564, 565, 567, 568, 569,
&end
#
# 59 LEU HA 60 GLU HN 8.00 (# 803:10 Unique 3.17, 3.28 A)
&rst
ixpk= 803, nxpk= 10, iat= 556, 573, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 61 VAL MGX 61 VAL HN 4.50 (# 804:10 Unique 2.04, 3.83 A)
&rst
ixpk= 804, nxpk= 10, iat= -1, 588, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 594, 595, 596, 598, 599, 600,
&end
#
# 61 VAL MGY 62 VAL HN 4.50 (# 805:10 Unique 3.46, 4.73 A)
&rst
ixpk= 805, nxpk= 10, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 594, 595, 596, 598, 599, 600,
&end
#
# 64 GLU HB- 64 GLU HN 4.50 (# 806:10 Unique 2.29, 2.83 A)
&rst
ixpk= 806, nxpk= 10, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 635, 636,
&end
#
# 67 VAL MGX 67 VAL HN 4.50 (# 807:10 Unique 2.18, 4.09 A)
&rst
ixpk= 807, nxpk= 10, iat= -1, 668, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 0 AMB 10-2:808 68 GLU HN 3.50 (# 808:10 Single Ambig)
&rst
ixpk= 808, nxpk= 10, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 688, 689, 688, 689,
&end
#
# 67 VAL MGY 68 GLU HN 4.50 (# 809:10 Unique 2.57, 4.12 A)
&rst
ixpk= 809, nxpk= 10, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 68 GLU HG- 69 VAL HN 4.50 (# 810:10 Unique 2.24, 3.25 A)
&rst
ixpk= 810, nxpk= 10, iat= -1, 699, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 691, 692,
&end
#
# 0 AMB 10-2:811 71 GLU HN 3.50 (# 811:10 Single Ambig)
&rst
ixpk= 811, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 739, 740, 736, 737,
&end
#
# 71 GLU HA 72 ILE HN 3.50 (# 812:10 Unique 2.14, 2.20 A)
&rst
ixpk= 812, nxpk= 10, iat= 734, 747, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 76 GLU HB+ 77 TYR HN 4.50 (# 813:10 Unique 2.60, 3.81 A)
&rst
ixpk= 813, nxpk= 10, iat= -1, 825, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 814, 815,
&end
#
# 0 AMB 10-2:814 78 LEU HN 3.50 (# 814:10 Single Ambig)
&rst
ixpk= 814, nxpk= 10, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 705, 706, 707, 709, 710, 711, 855, 856, 857, 859,
860, 861, 855, 856, 857, 859, 860, 861,
&end
#
# 80 ILE QG2 81 ILE HN 4.50 (# 815:10 Unique 2.85, 3.69 A)
&rst
ixpk= 815, nxpk= 10, iat= -1, 900, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 887, 888, 889,
&end
#
# 81 ILE QD1 81 ILE HN 4.50 (# 816:10 Unique 2.39, 4.48 A)
&rst
ixpk= 816, nxpk= 10, iat= -1, 900, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 913, 914, 915,
&end
#
# 0 AMB 10-2:817 81 ILE HN 4.50 (# 817:10 Single Ambig)
&rst
ixpk= 817, nxpk= 10, iat= -1, 900, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=1498,1499,1500,1467,1468,1469,1471,1472,1473, 871,
872, 873, 875, 876, 877,
&end
#
# 93 ALA HA 93 ALA HN 6.00 (# 818:10 Unique 2.76, 2.82 A)
&rst
ixpk= 818, nxpk= 10, iat=1095,1093, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 93 ALA MB 93 ALA HN 2.80 (# 819:10 Unique 2.33, 2.82 A)
&rst
ixpk= 819, nxpk= 10, iat= -1,1093, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1097,1098,1099,
&end
#
# 98 LEU HN 99 CYS HN 3.50 (# 820:10 Unique 2.72, 2.82 A)
&rst
ixpk= 820, nxpk= 10, iat=1162,1181, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 CYS HA 100 LEU HN 8.00 (# 821:10 Unique 3.57, 3.59 A)
&rst
ixpk= 821, nxpk= 10, iat=1183,1192, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 99 CYS HB+ 100 LEU HN 6.00 (# 822:10 Unique 2.45, 3.15 A)
&rst
ixpk= 822, nxpk= 10, iat= -1,1192, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1185,1186,
&end
#
# 100 LEU HB+ 100 LEU HN 4.50 (# 823:10 Unique 2.05, 2.66 A)
&rst
ixpk= 823, nxpk= 10, iat= -1,1192, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1196,1197,
&end
#
# 0 AMB 10-2:824 0 AMB 10-1:824 2.80 (# 824:10 Double Ambig)
&rst
ixpk= 824, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
igr1=1215,1216,1215,1216,1280,
igr2=1211,1273,
&end
#
# 0 AMB 10-2:825 102 VAL HN 4.50 (# 825:10 Single Ambig)
&rst
ixpk= 825, nxpk= 10, iat= -1,1235, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1255,1256,1255,1256,
&end
#
# 0 AMB 10-2:826 112 HIS HN 6.00 (# 826:10 Single Ambig)
&rst
ixpk= 826, nxpk= 10, iat= -1,1419, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1407,1408,1407,1408, 814, 815,
&end
#
# 0 AMB 10-2:828 116 ILE HN 4.50 (# 828:10 Single Ambig)
&rst
ixpk= 828, nxpk= 10, iat= -1,1492, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1498,1499,1500,1465,1767,1768,1769,
&end
#
# 0 AMB 10-2:829 0 AMB 10-1:829 3.50 (# 829:10 Double Ambig)
&rst
ixpk= 829, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1655,1701,
igr2=1640,1682,
&end
#
# 0 AMB 10-2:830 126 GLU HN 6.00 (# 830:10 Single Ambig)
&rst
ixpk= 830, nxpk= 10, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1647,1648,1647,1648,
&end
#
# 0 AMB 10-2:831 0 AMB 10-1:831 3.50 (# 831:10 Double Ambig)
&rst
ixpk= 831, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1840,1841,1644,1645,
igr2=1836,1640,
&end
#
# 128 ASP HA 128 ASP HN 4.50 (# 832:10 Unique 2.92, 2.94 A)
&rst
ixpk= 832, nxpk= 10, iat=1672,1670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:833 128 ASP HN 4.50 (# 833:10 Single Ambig)
&rst
ixpk= 833, nxpk= 10, iat= -1,1670, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1659,1660,1659,1660,
&end
#
# 128 ASP HN 129 ILE HN 4.50 (# 834:10 Unique 2.26, 2.40 A)
&rst
ixpk= 834, nxpk= 10, iat=1670,1682, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 137 GLU HB+ 137 GLU HN 2.80 (# 835:10 Unique 2.41, 2.98 A)
&rst
ixpk= 835, nxpk= 10, iat= -1,1821, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1825,1826,
&end
#
# 136 LYS HB- 137 GLU HN 4.50 (# 836:10 Unique 2.55, 3.59 A)
&rst
ixpk= 836, nxpk= 10, iat= -1,1821, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1803,1804,
&end
#
# 136 LYS HB+ 137 GLU HN 4.50 (# 837:10 Unique 2.55, 3.59 A)
&rst
ixpk= 837, nxpk= 10, iat= -1,1821, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1803,1804,
&end
#
# 129 ILE HG1- 129 ILE HN 4.50 (# 838:10 Unique 2.02, 2.96 A)
&rst
ixpk= 838, nxpk= 10, iat= -1,1682, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1692,1693,
&end
#
# 138 ARG HB- 139 VAL HN 4.50 (# 839:10 Unique 2.58, 3.17 A)
&rst
ixpk= 839, nxpk= 10, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1840,1841,
&end
#
# 139 VAL MGY 139 VAL HN 3.50 (# 840:10 Unique 2.22, 3.93 A)
&rst
ixpk= 840, nxpk= 10, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1866,1867,1868,1870,1871,1872,
&end
#
# 143 MET HG+ 143 MET HN 4.50 (# 841:10 Unique 2.40, 3.18 A)
&rst
ixpk= 841, nxpk= 10, iat= -1,1906, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1913,1914,
&end
#
# 143 MET HB- 143 MET HN 4.50 (# 842:10 Unique 2.36, 3.02 A)
&rst
ixpk= 842, nxpk= 10, iat= -1,1906, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1910,1911,
&end
#
# 144 GLU HA 144 GLU HN 3.50 (# 843:10 Unique 2.86, 2.89 A)
&rst
ixpk= 843, nxpk= 10, iat=1925,1923, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 149 ARG HB+ 149 ARG HN 2.80 (# 844:10 Unique 2.27, 2.54 A)
&rst
ixpk= 844, nxpk= 10, iat= -1,1999, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2003,2004,
&end
#
# 0 AMB 10-2:845 151 ILE HN 4.50 (# 845:10 Single Ambig)
&rst
ixpk= 845, nxpk= 10, iat= -1,2038, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=2051,2052,2053,1126,1127,1128,1130,1131,1132,2063,
2064,2065,2067,2068,2069,
&end
#
# 0 AMB 10-2:846 151 ILE HN 2.80 (# 846:10 Single Ambig)
&rst
ixpk= 846, nxpk= 10, iat= -1,2038, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2042,2027,2028,
&end
#
# 153 GLU HB+ 153 GLU HN 3.50 (# 847:10 Unique 2.34, 2.99 A)
&rst
ixpk= 847, nxpk= 10, iat= -1,2073, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2077,2078,
&end
#
# 0 AMB 10-2:848 153 GLU HN 3.50 (# 848:10 Single Ambig)
&rst
ixpk= 848, nxpk= 10, iat= -1,2073, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2080,2081,2080,2081,
&end
#
# 154 GLN HG- 154 GLN HN 3.50 (# 849:10 Unique 2.39, 3.14 A)
&rst
ixpk= 849, nxpk= 10, iat= -1,2088, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2095,2096,
&end
#
# 153 GLU HB- 154 GLN HN 4.50 (# 850:10 Unique 2.38, 3.07 A)
&rst
ixpk= 850, nxpk= 10, iat= -1,2088, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2077,2078,
&end
#
# 0 AMB 10-2:851 154 GLN HN 6.00 (# 851:10 Single Ambig)
&rst
ixpk= 851, nxpk= 10, iat= -1,2088, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1=2141,2142,2143,2145,2146,2147,2122,2123,2124,2126,
2127,2128,2063,2064,2065,2067,2068,2069,
&end
#
# 0 AMB 10-2:852 0 AMB 10-1:852 6.00 (# 852:10 Double Ambig)
&rst
ixpk= 852, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.58, r4=11.33,
igr1= 370, 371, 372, 363, 364, 365, 514, 515, 516, 518,
519, 520,1505,1506,1507,
igr2=1181,2105,
&end
#
# 156 VAL MGX 156 VAL HN 3.50 (# 853:10 Unique 2.31, 3.48 A)
&rst
ixpk= 853, nxpk= 10, iat= -1,2116, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2122,2123,2124,2126,2127,2128,
&end
#
# 0 AMB 10-2:854 157 LEU HN 3.50 (# 854:10 Single Ambig)
&rst
ixpk= 854, nxpk= 10, iat= -1,2132, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2122,2123,2124,2126,2127,2128,2141,2142,2143,2145,
2146,2147,
&end
#
# 0 AMB 10-2:855 160 ASP HN 4.50 (# 855:10 Single Ambig)
&rst
ixpk= 855, nxpk= 10, iat= -1,2180, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2173,2174, 470, 471,
&end
#
# 162 LEU HG 162 LEU HN 3.50 (# 856:10 Unique 2.22, 2.87 A)
&rst
ixpk= 856, nxpk= 10, iat=2216,2209, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 163 GLU HA 163 GLU HN 3.50 (# 857:10 Unique 2.21, 2.89 A)
&rst
ixpk= 857, nxpk= 10, iat=2230,2228, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 163 GLU HG- 163 GLU HN 8.00 (# 858:10 Unique 2.43, 4.01 A)
&rst
ixpk= 858, nxpk= 10, iat= -1,2228, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=2235,2236,
&end
#
# 79 VAL MGX 79 VAL HN 4.50 (# 859:10 Unique 2.48, 4.06 A)
&rst
ixpk= 859, nxpk= 10, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 871, 872, 873, 875, 876, 877,
&end
#
# 44 ILE QG2 44 ILE HN 3.50 (# 860:10 Unique 2.34, 3.38 A)
&rst
ixpk= 860, nxpk= 10, iat= -1, 300, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 306, 307, 308,
&end
#
# 114 LEU HN 115 GLU HN 8.00 (# 861:10 Unique 4.29, 4.50 A)
&rst
ixpk= 861, nxpk= 10, iat=1458,1477, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 80 ILE HA 115 GLU HN 6.00 (# 863:10 Unique 2.89, 3.19 A)
&rst
ixpk= 863, nxpk= 10, iat= 883,1477, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:864 79 VAL HN 4.50 (# 864:10 Single Ambig)
&rst
ixpk= 864, nxpk= 10, iat= -1, 865, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 853,1467,1468,1469,1471,1472,1473,
&end
#
# 0 AMB 10-2:867 48 ARG HN 8.00 (# 867:10 Single Ambig)
&rst
ixpk= 867, nxpk= 10, iat= -1, 376, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 386, 387, 386, 387,
&end
#
# 0 AMB 10-2:868 46 THR HN 8.00 (# 868:10 Single Ambig)
&rst
ixpk= 868, nxpk= 10, iat= -1, 343, r1= 0.00, r2= 1.80, r3=11.54, r4=12.29,
igr1= 370, 371, 372, 306, 307, 308, 363, 364, 365,
&end
#
# 62 VAL MGX 46 THR HN 8.00 (# 869:10 Unique 3.66, 6.85 A)
&rst
ixpk= 869, nxpk= 10, iat= -1, 343, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1= 610, 611, 612, 614, 615, 616,
&end
#
# 0 AMB 10-2:870 46 THR HN 8.00 (# 870:10 Single Ambig)
&rst
ixpk= 870, nxpk= 10, iat= -1, 343, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1= 367, 368, 367, 368,2155,2156,
&end
#
# 45 ARG HA 46 THR HN 8.00 (# 871:10 Unique 2.15, 3.13 A)
&rst
ixpk= 871, nxpk= 10, iat= 321, 343, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 81 ILE HA 68 GLU HN 4.50 (# 872:10 Unique 3.31, 3.55 A)
&rst
ixpk= 872, nxpk= 10, iat= 902, 684, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:874 68 GLU HN 8.00 (# 874:10 Single Ambig)
&rst
ixpk= 874, nxpk= 10, iat= -1, 684, r1= 0.00, r2= 1.80, r3=10.46, r4=11.21,
igr1= 910, 911, 192, 193, 194,
&end
#
# 80 ILE HB 68 GLU HN 8.00 (# 875:10 Unique 3.20, 3.40 A)
&rst
ixpk= 875, nxpk= 10, iat= 885, 684, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 81 ILE HN 80 ILE HN 8.00 (# 876:10 Unique 4.24, 4.32 A)
&rst
ixpk= 876, nxpk= 10, iat= 900, 881, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:878 80 ILE HN 8.00 (# 878:10 Single Ambig)
&rst
ixpk= 878, nxpk= 10, iat= -1, 881, r1= 0.00, r2= 1.80, r3=10.46, r4=11.21,
igr1= 691, 692, 719, 720, 672,
&end
#
# 0 AMB 10-2:879 80 ILE HN 8.00 (# 879:10 Single Ambig)
&rst
ixpk= 879, nxpk= 10, iat= -1, 881, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 688, 689, 688, 689,
&end
#
# 137 GLU HN 136 LYS HN 8.00 (# 880:10 Unique 2.82, 2.97 A)
&rst
ixpk= 880, nxpk= 10, iat=1821,1799, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:881 82 ARG HN 8.00 (# 881:10 Single Ambig)
&rst
ixpk= 881, nxpk= 10, iat= -1, 919, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 929, 930, 929, 930,
&end
#
# 82 ARG HA 82 ARG HN 8.00 (# 882:10 Unique 2.96, 2.99 A)
&rst
ixpk= 882, nxpk= 10, iat= 921, 919, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 80 ILE HN 81 ILE HN 8.00 (# 883:10 Unique 4.24, 4.32 A)
&rst
ixpk= 883, nxpk= 10, iat= 881, 900, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 77 TYR HN 78 LEU HN 8.00 (# 885:10 Unique 4.37, 4.45 A)
&rst
ixpk= 885, nxpk= 10, iat= 825, 846, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 114 LEU HA 114 LEU HN 8.00 (# 886:10 Unique 2.96, 2.99 A)
&rst
ixpk= 886, nxpk= 10, iat=1460,1458, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 113 LYS HN 114 LEU HN 8.00 (# 888:10 Unique 4.28, 4.57 A)
&rst
ixpk= 888, nxpk= 10, iat=1436,1458, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:889 114 LEU HN 8.00 (# 889:10 Single Ambig)
&rst
ixpk= 889, nxpk= 10, iat= -1,1458, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1477, 865,
&end
#
# 120 GLU HA 120 GLU HN 8.00 (# 891:10 Unique 2.20, 2.64 A)
&rst
ixpk= 891, nxpk= 10, iat=1564,1562, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:892 158 GLU HN 8.00 (# 892:10 Single Ambig)
&rst
ixpk= 892, nxpk= 10, iat= -1,2151, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=2167,2168,2167,2168,
&end
#
# 71 GLU HG+ 72 ILE HN 8.00 (# 894:10 Unique 2.55, 3.37 A)
&rst
ixpk= 894, nxpk= 10, iat= -1, 747, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 739, 740,
&end
#
# 0 AMB 10-2:895 71 GLU HN 8.00 (# 895:10 Single Ambig)
&rst
ixpk= 895, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3=11.54, r4=12.29,
igr1= 113, 114, 115, 705, 706, 707, 709, 710, 711,
&end
#
# 70 GLN HG+ 71 GLU HN 8.00 (# 896:10 Unique 2.63, 4.55 A)
&rst
ixpk= 896, nxpk= 10, iat= -1, 732, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 722, 723,
&end
#
# 0 AMB 10-2:897 47 ILE HN 8.00 (# 897:10 Single Ambig)
&rst
ixpk= 897, nxpk= 10, iat= -1, 357, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1= 497, 498, 499, 349, 350, 351,
&end
#
# 55 THR HB 47 ILE HN 8.00 (# 898:10 Unique 3.61, 4.11 A)
&rst
ixpk= 898, nxpk= 10, iat= 495, 357, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 111 LYS HG- 111 LYS HN 8.00 (# 899:10 Unique 2.00, 3.21 A)
&rst
ixpk= 899, nxpk= 10, iat= -1,1397, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1404,1405,
&end
#
# 110 PHE HD 111 LYS HN 8.00 (# 901:10 Unique 2.91, 5.02 A)
&rst
ixpk= 901, nxpk= 10, iat= -1,1397, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1385,1393,
&end
#
# 0 AMB 10-2:903 70 GLN HN 8.00 (# 903:10 Single Ambig)
&rst
ixpk= 903, nxpk= 10, iat= -1, 715, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 688, 689, 688, 689,
&end
#
# 70 GLN HG- 70 GLN HN 8.00 (# 904:10 Unique 2.57, 3.63 A)
&rst
ixpk= 904, nxpk= 10, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 722, 723,
&end
#
# 68 GLU HG+ 70 GLN HN 8.00 (# 905:10 Unique 4.45, 6.16 A)
&rst
ixpk= 905, nxpk= 10, iat= -1, 715, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 691, 692,
&end
#
# 0 AMB 10-2:906 69 VAL HN 8.00 (# 906:10 Single Ambig)
&rst
ixpk= 906, nxpk= 10, iat= -1, 699, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 715, 881,
&end
#
# 0 AMB 10-2:908 64 GLU HN 8.00 (# 908:10 Single Ambig)
&rst
ixpk= 908, nxpk= 10, iat= -1, 631, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 657, 620,
&end
#
# 0 AMB 10-2:909 0 AMB 10-1:909 8.00 (# 909:10 Double Ambig)
&rst
ixpk= 909, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.31, r4=12.06,
igr1= 25, 26, 25, 26,
igr2= 45, 21,
&end
#
# 29 GLN HB+ 29 GLN HN 8.00 (# 910:10 Unique 2.29, 3.08 A)
&rst
ixpk= 910, nxpk= 10, iat= -1, 45, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 49, 50,
&end
#
# 32 ILE QG2 34 GLU HN 8.00 (# 911:10 Unique 2.46, 3.80 A)
&rst
ixpk= 911, nxpk= 10, iat= -1, 136, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr1= 106, 107, 108,
&end
#
# 37 ALA HN 34 GLU HN 8.00 (# 914:10 Unique 4.64, 4.74 A)
&rst
ixpk= 914, nxpk= 10, iat= 188, 136, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 57 GLU HB- 58 GLU HN 8.00 (# 915:10 Unique 2.37, 3.41 A)
&rst
ixpk= 915, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 528, 529,
&end
#
# 27 MET HG+ 28 ARG HN 8.00 (# 916:10 Unique 2.52, 3.85 A)
&rst
ixpk= 916, nxpk= 10, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 11, 12,
&end
#
# 157 LEU HA 157 LEU HN 3.50 (# 917:10 Unique 2.85, 2.91 A)
&rst
ixpk= 917, nxpk= 10, iat=2134,2132, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 155 CYS HN 157 LEU HN 8.00 (# 918:10 Unique 3.94, 4.12 A)
&rst
ixpk= 918, nxpk= 10, iat=2105,2132, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:919 49 ASP HN 8.00 (# 919:10 Single Ambig)
&rst
ixpk= 919, nxpk= 10, iat= -1, 400, r1= 0.00, r2= 1.80, r3=10.46, r4=11.21,
igr1= 558, 559, 361, 451, 452,
&end
#
# 56 LEU HN 49 ASP HN 8.00 (# 920:10 Unique 3.96, 4.33 A)
&rst
ixpk= 920, nxpk= 10, iat= 505, 400, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 107 CYS HB- 108 LEU HN 8.00 (# 921:10 Unique 2.82, 3.63 A)
&rst
ixpk= 921, nxpk= 10, iat= -1,1344, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1337,1338,
&end
#
# 94 THR MG2 95 LEU HN 8.00 (# 925:10 Unique 3.50, 4.67 A)
&rst
ixpk= 925, nxpk= 10, iat= -1,1117, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr1=1109,1110,1111,
&end
#
# 0 AMB 10-2:926 95 LEU HN 6.00 (# 926:10 Single Ambig)
&rst
ixpk= 926, nxpk= 10, iat= -1,1117, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
igr1=1083,1084,1085,1087,1088,1089,1760,1761,1762,2063,
2064,2065,2067,2068,2069,
&end
#
# 32 ILE HN 33 MET HN 8.00 (# 927:10 Unique 3.20, 4.26 A)
&rst
ixpk= 927, nxpk= 10, iat= 100, 119, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:928 162 LEU HN 8.00 (# 928:10 Single Ambig)
&rst
ixpk= 928, nxpk= 10, iat= -1,2209, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1=2173,2174,2199,2200,2199,2200,
&end
#
# 160 ASP HA 162 LEU HN 8.00 (# 930:10 Unique 3.45, 4.78 A)
&rst
ixpk= 930, nxpk= 10, iat=2182,2209, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 77 TYR HA 77 TYR HN 8.00 (# 931:10 Unique 2.91, 2.98 A)
&rst
ixpk= 931, nxpk= 10, iat= 827, 825, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 113 LYS HN 77 TYR HN 8.00 (# 932:10 Unique 3.17, 3.66 A)
&rst
ixpk= 932, nxpk= 10, iat=1436, 825, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:933 142 ALA HN 8.00 (# 933:10 Single Ambig)
&rst
ixpk= 933, nxpk= 10, iat= -1,1896, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1=1171,1172,1173,1175,1176,1177,1866,1867,1868,1870,
1871,1872,
&end
#
# 139 VAL HA 142 ALA HN 8.00 (# 934:10 Unique 3.43, 3.60 A)
&rst
ixpk= 934, nxpk= 10, iat=1862,1896, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 143 MET HA 142 ALA HN 8.00 (# 935:10 Unique 5.42, 5.45 A)
&rst
ixpk= 935, nxpk= 10, iat=1908,1896, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 144 GLU HN 142 ALA HN 8.00 (# 936:10 Unique 4.09, 4.19 A)
&rst
ixpk= 936, nxpk= 10, iat=1923,1896, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:937 135 ASP HN 8.00 (# 937:10 Single Ambig)
&rst
ixpk= 937, nxpk= 10, iat= -1,1787, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1717,1756,
&end
#
# 135 ASP HA 135 ASP HN 4.50 (# 938:10 Unique 2.79, 2.86 A)
&rst
ixpk= 938, nxpk= 10, iat=1789,1787, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 31 ARG HN 32 ILE HN 8.00 (# 939:10 Unique 2.39, 3.81 A)
&rst
ixpk= 939, nxpk= 10, iat= 76, 100, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 94 THR HN 93 ALA HN 8.00 (# 940:10 Unique 2.72, 2.87 A)
&rst
ixpk= 940, nxpk= 10, iat=1103,1093, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 101 ARG HN 98 LEU HN 8.00 (# 941:10 Unique 4.70, 4.88 A)
&rst
ixpk= 941, nxpk= 10, iat=1211,1162, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 97 GLY HA+ 98 LEU HN 8.00 (# 942:10 Unique 2.76, 3.22 A)
&rst
ixpk= 942, nxpk= 10, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1157,1158,
&end
#
# 97 GLY HA- 98 LEU HN 8.00 (# 943:10 Unique 2.76, 3.22 A)
&rst
ixpk= 943, nxpk= 10, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1157,1158,
&end
#
# 98 LEU MDY 98 LEU HN 4.50 (# 944:10 Unique 2.77, 4.52 A)
&rst
ixpk= 944, nxpk= 10, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1171,1172,1173,1175,1176,1177,
&end
#
# 129 ILE HG1+ 129 ILE HN 8.00 (# 946:10 Unique 2.02, 2.96 A)
&rst
ixpk= 946, nxpk= 10, iat= -1,1682, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1692,1693,
&end
#
# 137 GLU HG- 138 ARG HN 4.50 (# 947:10 Preassigned 3.79, 4.68 A)
&rst
ixpk= 947, nxpk= 10, iat= -1,1836, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1828,1829,
&end
#
# 0 AMB 10-2:948 0 AMB 10-1:948 8.00 (# 948:10 Double Ambig)
&rst
ixpk= 948, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.31, r4=12.06,
igr1=1791,1792,1705,1706,
igr2=1836,1682,
&end
#
# 128 ASP HB+ 129 ILE HN 6.00 (# 949:10 Unique 2.65, 3.37 A)
&rst
ixpk= 949, nxpk= 10, iat= -1,1682, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1674,1675,
&end
#
# 126 GLU HA 0 AMB 10-1:950 8.00 (# 950:10 Single Ambig)
&rst
ixpk= 950, nxpk= 10, iat=1642, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1640,1682,
&end
#
# 142 ALA HA 145 ASN HN 4.50 (# 951:10 Unique 3.40, 3.60 A)
&rst
ixpk= 951, nxpk= 10, iat=1898,1938, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 145 ASN HD2+ 145 ASN HN 8.00 (# 952:10 Unique 2.34, 5.14 A)
&rst
ixpk= 952, nxpk= 10, iat= -1,1938, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1947,1948,
&end
#
# 0 AMB 10-2:954 37 ALA HN 8.00 (# 954:10 Single Ambig)
&rst
ixpk= 954, nxpk= 10, iat= -1, 188, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1= 674, 675, 676, 678, 679, 680, 871, 872, 873, 875,
876, 877,
&end
#
# 32 ILE HN 31 ARG HN 8.00 (# 957:10 Unique 2.39, 3.81 A)
&rst
ixpk= 957, nxpk= 10, iat= 100, 76, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:958 113 LYS HN 8.00 (# 958:10 Single Ambig)
&rst
ixpk= 958, nxpk= 10, iat= -1,1436, r1= 0.00, r2= 1.80, r3=12.95, r4=13.70,
igr1= 855, 856, 857, 859, 860, 861,1467,1468,1469,1471,
1472,1473, 705, 706, 707, 709, 710, 711,
&end
#
# 113 LYS HG+ 113 LYS HN 8.00 (# 960:10 Unique 2.24, 3.97 A)
&rst
ixpk= 960, nxpk= 10, iat= -1,1436, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1443,1444,
&end
#
# 118 ILE QD1 118 ILE HN 8.00 (# 961:10 Unique 2.69, 5.40 A)
&rst
ixpk= 961, nxpk= 10, iat= -1,1532, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr1=1545,1546,1547,
&end
#
# 82 ARG HA 117 TYR HN 6.00 (# 962:10 Unique 2.70, 2.89 A)
&rst
ixpk= 962, nxpk= 10, iat= 921,1511, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:963 116 ILE HN 8.00 (# 963:10 Single Ambig)
&rst
ixpk= 963, nxpk= 10, iat= -1,1492, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1=1462,1463,1215,1216,1215,1216,
&end
#
# 115 GLU HG- 116 ILE HN 8.00 (# 965:10 Unique 2.44, 4.48 A)
&rst
ixpk= 965, nxpk= 10, iat= -1,1492, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1484,1485,
&end
#
# 115 GLU HN 116 ILE HN 8.00 (# 967:10 Unique 3.72, 4.26 A)
&rst
ixpk= 967, nxpk= 10, iat=1477,1492, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 116 ILE HA 116 ILE HN 8.00 (# 968:10 Unique 2.94, 2.98 A)
&rst
ixpk= 968, nxpk= 10, iat=1494,1492, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:969 39 GLU HN 8.00 (# 969:10 Single Ambig)
&rst
ixpk= 969, nxpk= 10, iat= -1, 217, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1= 207, 208, 209, 211, 212, 213, 238, 239, 240, 242,
243, 244,
&end
#
# 0 AMB 10-2:970 39 GLU HN 8.00 (# 970:10 Single Ambig)
&rst
ixpk= 970, nxpk= 10, iat= -1, 217, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1= 238, 239, 240, 242, 243, 244, 674, 675, 676, 678,
679, 680,
&end
#
# 0 AMB 10-2:971 96 ILE HN 8.00 (# 971:10 Single Ambig)
&rst
ixpk= 971, nxpk= 10, iat= -1,1136, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 416, 417, 416, 417,
&end
#
# 95 LEU HB+ 96 ILE HN 8.00 (# 972:10 Unique 2.49, 3.17 A)
&rst
ixpk= 972, nxpk= 10, iat= -1,1136, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1121,1122,
&end
#
# 95 LEU HA 96 ILE HN 8.00 (# 973:10 Unique 3.52, 3.57 A)
&rst
ixpk= 973, nxpk= 10, iat=1119,1136, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 93 ALA HA 96 ILE HN 8.00 (# 974:10 Unique 3.48, 3.68 A)
&rst
ixpk= 974, nxpk= 10, iat=1095,1136, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:975 152 VAL HN 8.00 (# 975:10 Single Ambig)
&rst
ixpk= 975, nxpk= 10, iat= -1,2057, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=2048,2049, 419, 420,
&end
#
# 0 AMB 10-2:976 152 VAL HN 8.00 (# 976:10 Single Ambig)
&rst
ixpk= 976, nxpk= 10, iat= -1,2057, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=2092,2093,2030,2031,
&end
#
# 148 LEU HA 152 VAL HN 8.00 (# 977:10 Unique 3.71, 3.83 A)
&rst
ixpk= 977, nxpk= 10, iat=1982,2057, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 67 VAL MGX 41 TYR HN 6.00 (# 980:10 Unique 2.61, 4.26 A)
&rst
ixpk= 980, nxpk= 10, iat= -1, 248, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 40 VAL HA 41 TYR HN 8.00 (# 981:10 Unique 3.62, 3.64 A)
&rst
ixpk= 981, nxpk= 10, iat= 234, 248, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 41 TYR HD 41 TYR HN 8.00 (# 982:10 Unique 4.23, 4.70 A)
&rst
ixpk= 982, nxpk= 10, iat= -1, 248, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 256, 265,
&end
#
# 81 ILE QG2 67 VAL HN 8.00 (# 984:10 Unique 4.08, 5.95 A)
&rst
ixpk= 984, nxpk= 10, iat= -1, 668, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr1= 906, 907, 908,
&end
#
# 66 CYS HB+ 67 VAL HN 8.00 (# 986:10 Unique 3.17, 3.93 A)
&rst
ixpk= 986, nxpk= 10, iat= -1, 668, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 661, 662,
&end
#
# 65 SER HA 66 CYS HN 8.00 (# 987:10 Unique 3.43, 3.50 A)
&rst
ixpk= 987, nxpk= 10, iat= 648, 657, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:988 61 VAL HN 8.00 (# 988:10 Single Ambig)
&rst
ixpk= 988, nxpk= 10, iat= -1, 588, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1= 514, 515, 516, 518, 519, 520, 563, 564, 565, 567,
568, 569,
&end
#
# 59 LEU HB+ 61 VAL HN 8.00 (# 989:10 Unique 3.19, 3.67 A)
&rst
ixpk= 989, nxpk= 10, iat= -1, 588, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 558, 559,
&end
#
# 0 AMB 10-2:990 112 HIS HN 8.00 (# 990:10 Single Ambig)
&rst
ixpk= 990, nxpk= 10, iat= -1,1419, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=1404,1405,1443,1444,
&end
#
# 111 LYS HG+ 112 HIS HN 4.50 (# 991:10 Unique 3.88, 4.86 A)
&rst
ixpk= 991, nxpk= 10, iat= -1,1419, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1404,1405,
&end
#
# 0 AMB 10-2:992 112 HIS HN 8.00 (# 992:10 Single Ambig)
&rst
ixpk= 992, nxpk= 10, iat= -1,1419, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=1423,1424,1423,1424,
&end
#
# 145 ASN HB+ 148 LEU HN 8.00 (# 993:10 Unique 3.17, 4.11 A)
&rst
ixpk= 993, nxpk= 10, iat= -1,1980, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1942,1943,
&end
#
# 0 AMB 10-2:995 0 AMB 10-1:995 8.00 (# 995:10 Double Ambig)
&rst
ixpk= 995, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=13.94, r4=14.69,
igr1= 207, 208, 209, 211, 212, 213, 173, 174,1989,1990,
1991,1993,1994,1995,
igr2= 151,1999,
&end
#
# 136 LYS HG- 137 GLU HN 8.00 (# 997:10 Unique 2.46, 4.10 A)
&rst
ixpk= 997, nxpk= 10, iat= -1,1821, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1806,1807,
&end
#
# 0 AMB 10-2:998 137 GLU HN 8.00 (# 998:10 Single Ambig)
&rst
ixpk= 998, nxpk= 10, iat= -1,1821, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=1809,1810,1809,1810,
&end
#
# 137 GLU HG- 137 GLU HN 4.50 (# 999:10 Unique 2.30, 3.32 A)
&rst
ixpk= 999, nxpk= 10, iat= -1,1821, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1828,1829,
&end
#
# 136 LYS HN 137 GLU HN 8.00 (# 1000:10 Unique 2.82, 2.97 A)
&rst
ixpk= 1000, nxpk= 10, iat=1799,1821, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 128 ASP HB+ 131 LYS HN 8.00 (# 1001:10 Unique 5.21, 5.57 A)
&rst
ixpk= 1001, nxpk= 10, iat= -1,1715, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1674,1675,
&end
#
# 0 AMB 10-2:1005 76 GLU HN 8.00 (# 1005:10 Single Ambig)
&rst
ixpk= 1005, nxpk= 10, iat= -1, 810, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 770, 771, 770, 771,
&end
#
# 72 ILE HN 76 GLU HN 8.00 (# 1006:10 Unique 4.03, 4.30 A)
&rst
ixpk= 1006, nxpk= 10, iat= 747, 810, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:1007 38 LEU HN 8.00 (# 1007:10 Single Ambig)
&rst
ixpk= 1007, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 140, 141, 155, 156,
&end
#
# 126 GLU HN 127 GLU HN 8.00 (# 1008:10 Unique 2.57, 2.90 A)
&rst
ixpk= 1008, nxpk= 10, iat=1640,1655, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 128 ASP HN 127 GLU HN 8.00 (# 1009:10 Unique 2.49, 2.69 A)
&rst
ixpk= 1009, nxpk= 10, iat=1670,1655, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 99 CYS HA 102 VAL HN 8.00 (# 1010:10 Unique 3.14, 3.53 A)
&rst
ixpk= 1010, nxpk= 10, iat=1183,1235, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 102 VAL HA 105 GLN HN 8.00 (# 1011:10 Unique 3.32, 3.63 A)
&rst
ixpk= 1011, nxpk= 10, iat=1237,1292, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 46 THR HA 45 ARG HN 8.00 (# 1015:10 Unique 5.55, 5.85 A)
&rst
ixpk= 1015, nxpk= 10, iat= 345, 319, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 37 ALA MB 36 LYS HN 8.00 (# 1016:10 Unique 4.72, 5.34 A)
&rst
ixpk= 1016, nxpk= 10, iat= -1, 166, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr1= 192, 193, 194,
&end
#
# 35 GLU HN 36 LYS HN 8.00 (# 1017:10 Unique 2.61, 2.73 A)
&rst
ixpk= 1017, nxpk= 10, iat= 151, 166, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:1019 0 AMB 10-1:1019 8.00 (# 1019:10 Double Ambig)
&rst
ixpk= 1019, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.70, r4=13.45,
igr1=1825,1826, 221, 222,1927,1928,1840,1841,
igr2=1886, 198,
&end
#
# 159 PRO HG+ 160 ASP HN 4.50 (# 1020:10 Unique 4.07, 4.90 A)
&rst
ixpk= 1020, nxpk= 10, iat= -1,2180, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2170,2171,
&end
#
# 83 PHE HB- 84 THR HN 8.00 (# 1023:10 Unique 2.34, 3.21 A)
&rst
ixpk= 1023, nxpk= 10, iat= -1, 963, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 947, 948,
&end
#
# 102 VAL HA 103 LYS HN 8.00 (# 1024:10 Unique 3.60, 3.63 A)
&rst
ixpk= 1024, nxpk= 10, iat=1237,1251, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 42 ASP HN 40 VAL HN 8.00 (# 1026:10 Unique 4.26, 4.34 A)
&rst
ixpk= 1026, nxpk= 10, iat= 269, 232, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:1027 57 GLU HN 6.00 (# 1027:10 Single Ambig)
&rst
ixpk= 1027, nxpk= 10, iat= -1, 524, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 497, 498, 499, 594, 595, 596, 598, 599, 600, 349,
350, 351,
&end
#
# 59 LEU HN 57 GLU HN 8.00 (# 1028:10 Unique 3.88, 4.04 A)
&rst
ixpk= 1028, nxpk= 10, iat= 554, 524, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 76 GLU HB+ 75 GLU HN 8.00 (# 1029:10 Unique 3.95, 4.66 A)
&rst
ixpk= 1029, nxpk= 10, iat= -1, 795, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 814, 815,
&end
#
# 100 LEU MDX 100 LEU HN 8.00 (# 1031:10 Unique 2.27, 4.58 A)
&rst
ixpk= 1031, nxpk= 10, iat= -1,1192, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1=1201,1202,1203,1205,1206,1207,
&end
#
# 41 TYR HD 42 ASP HN 8.00 (# 1032:10 Unique 3.04, 4.41 A)
&rst
ixpk= 1032, nxpk= 10, iat= -1, 269, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 256, 265,
&end
#
# 143 MET HG+ 144 GLU HN 8.00 (# 1033:10 Unique 4.56, 4.94 A)
&rst
ixpk= 1033, nxpk= 10, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1913,1914,
&end
#
# 0 AMB 10-2:1034 144 GLU HN 8.00 (# 1034:10 Single Ambig)
&rst
ixpk= 1034, nxpk= 10, iat= -1,1923, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr1=1947,1948,1896,
&end
#
# 72 ILE HG1- 73 ASN HN 8.00 (# 1035:10 Unique 4.01, 4.61 A)
&rst
ixpk= 1035, nxpk= 10, iat= -1, 766, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 757, 758,
&end
#
# 72 ILE QD1 73 ASN HN 8.00 (# 1036:10 Unique 4.44, 5.54 A)
&rst
ixpk= 1036, nxpk= 10, iat= -1, 766, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr1= 760, 761, 762,
&end
#
# 76 GLU HB+ 73 ASN HN 6.00 (# 1037:10 Unique 2.91, 4.28 A)
&rst
ixpk= 1037, nxpk= 10, iat= -1, 766, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 814, 815,
&end
#
# 74 GLU HN 73 ASN HN 8.00 (# 1038:10 Unique 4.30, 4.37 A)
&rst
ixpk= 1038, nxpk= 10, iat= 780, 766, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 98 LEU HB- 99 CYS HN 8.00 (# 1039:10 Unique 2.52, 3.07 A)
&rst
ixpk= 1039, nxpk= 10, iat= -1,1181, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1166,1167,
&end
#
# 98 LEU HB+ 99 CYS HN 6.00 (# 1040:10 Unique 2.52, 3.07 A)
&rst
ixpk= 1040, nxpk= 10, iat= -1,1181, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1166,1167,
&end
#
# 100 LEU HB- 101 ARG HN 6.00 (# 1042:10 Unique 2.16, 2.90 A)
&rst
ixpk= 1042, nxpk= 10, iat= -1,1211, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1196,1197,
&end
#
# 98 LEU HA 101 ARG HN 4.50 (# 1043:10 Unique 3.54, 3.67 A)
&rst
ixpk= 1043, nxpk= 10, iat=1164,1211, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 10-2:1044 104 LEU HN 8.00 (# 1044:10 Single Ambig)
&rst
ixpk= 1044, nxpk= 10, iat= -1,1273, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1309,1333,
&end
#
# 48 ARG HA 56 LEU HN 8.00 (# 1045:10 Unique 3.08, 3.46 A)
&rst
ixpk= 1045, nxpk= 10, iat= 378, 505, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 147 ASN HA 150 GLU HN 8.00 (# 1046:10 Unique 3.52, 3.66 A)
&rst
ixpk= 1046, nxpk= 10, iat=1968,2023, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 40 VAL HA 43 LEU HN 8.00 (# 1047:10 Unique 3.19, 3.38 A)
&rst
ixpk= 1047, nxpk= 10, iat= 234, 281, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 49 ASP HB- 51 GLU HN 8.00 (# 1048:10 Unique 3.28, 4.15 A)
&rst
ixpk= 1048, nxpk= 10, iat= -1, 426, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 404, 405,
&end
#
# 50 PRO HD- 51 GLU HN 8.00 (# 1049:10 Unique 3.06, 3.80 A)
&rst
ixpk= 1049, nxpk= 10, iat= -1, 426, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 413, 414,
&end
#
# 105 GLN HG+ 106 ARG HN 8.00 (# 1050:10 Unique 3.63, 4.54 A)
&rst
ixpk= 1050, nxpk= 10, iat= -1,1309, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1299,1300,
&end
#
# 0 AMB 10-2:1052 73 ASN HD2- 8.00 (# 1052:10 Single Ambig)
&rst
ixpk= 1052, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1= 814, 815, 751,
igr2= 775, 776,
&end
#
# 58 GLU HB- 59 LEU HN 8.00 (# 1053:10 Unique 2.61, 3.21 A)
&rst
ixpk= 1053, nxpk= 10, iat= -1, 554, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 543, 544,
&end
#
# 146 PRO HB+ 147 ASN HN 8.00 (# 1054:10 Unique 2.49, 3.61 A)
&rst
ixpk= 1054, nxpk= 10, iat= -1,1966, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1959,1960,
&end
#
# 0 AMB 10-2:1055 87 VAL HN 8.00 (# 1055:10 Single Ambig)
&rst
ixpk= 1055, nxpk= 10, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 993,1095,
&end
#
# 86 THR HB 87 VAL HN 8.00 (# 1056:10 Unique 3.11, 3.52 A)
&rst
ixpk= 1056, nxpk= 10, iat= 995,1005, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:1057 153 GLU HN 8.00 (# 1057:10 Single Ambig)
&rst
ixpk= 1057, nxpk= 10, iat= -1,2073, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=2001,2040,
&end
#
# 151 ILE HN 153 GLU HN 8.00 (# 1058:10 Unique 4.15, 4.34 A)
&rst
ixpk= 1058, nxpk= 10, iat=2038,2073, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 59 LEU MDY 60 GLU HN 8.00 (# 1059:10 Unique 4.85, 5.83 A)
&rst
ixpk= 1059, nxpk= 10, iat= -1, 573, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1= 563, 564, 565, 567, 568, 569,
&end
#
# 59 LEU HB+ 60 GLU HN 8.00 (# 1060:10 Unique 3.58, 3.99 A)
&rst
ixpk= 1060, nxpk= 10, iat= -1, 573, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 558, 559,
&end
#
# 59 LEU HB- 60 GLU HN 8.00 (# 1061:10 Unique 3.58, 3.99 A)
&rst
ixpk= 1061, nxpk= 10, iat= -1, 573, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 558, 559,
&end
#
# 66 CYS HB- 63 SER HN 8.00 (# 1062:10 Unique 1.94, 3.21 A)
&rst
ixpk= 1062, nxpk= 10, iat= -1, 620, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 661, 662,
&end
#
# 63 SER HA 63 SER HN 4.50 (# 1064:10 Unique 2.85, 2.91 A)
&rst
ixpk= 1064, nxpk= 10, iat= 622, 620, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 145 ASN HB+ 145 ASN HD2+ 8.00 (# 1068:10 Unique 2.25, 3.35 A)
&rst
ixpk= 1068, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=1942,1943,
igr2=1947,1948,
&end
#
# 0 AMB 10-2:1073 0 AMB 10-1:1073 4.50 (# 1073:10 Double Ambig)
&rst
ixpk= 1073, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 52, 53, 52, 53,
igr2= 57, 58, 57, 58,
&end
#
# 105 GLN HA 107 CYS HN 8.00 (# 1074:10 Unique 4.48, 4.84 A)
&rst
ixpk= 1074, nxpk= 10, iat=1294,1333, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 140 ALA HA 143 MET HN 8.00 (# 1076:10 Unique 3.30, 3.40 A)
&rst
ixpk= 1076, nxpk= 10, iat=1878,1906, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 142 ALA HA 143 MET HN 8.00 (# 1077:10 Unique 3.53, 3.56 A)
&rst
ixpk= 1077, nxpk= 10, iat=1898,1906, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:1079 94 THR HN 8.00 (# 1079:10 Single Ambig)
&rst
ixpk= 1079, nxpk= 10, iat= -1,1103, r1= 0.00, r2= 1.80, r3=12.56, r4=13.31,
igr1=1760,1761,1762,1083,1084,1085,1087,1088,1089,1083,
1084,1085,1087,1088,1089,
&end
#
# 0 AMB 10-2:1080 94 THR HN 8.00 (# 1080:10 Single Ambig)
&rst
ixpk= 1080, nxpk= 10, iat= -1,1103, r1= 0.00, r2= 1.80, r3=10.46, r4=11.21,
igr1=1067,1068,1067,1068,1119,
&end
#
# 93 ALA HA 94 THR HN 8.00 (# 1081:10 Unique 3.51, 3.58 A)
&rst
ixpk= 1081, nxpk= 10, iat=1095,1103, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 139 VAL MGY 105 GLN HE2+ 8.00 (# 1084:10 Unique 2.32, 6.44 A)
&rst
ixpk= 1084, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1=1866,1867,1868,1870,1871,1872,
igr2=1304,1305,
&end
#
# 132 GLN HB- 132 GLN HE2+ 8.00 (# 1085:10 Unique 2.47, 4.17 A)
&rst
ixpk= 1085, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=1741,1742,
igr2=1749,1750,
&end
#
# 105 GLN HG- 105 GLN HE2- 4.50 (# 1087:10 Unique 2.26, 3.34 A)
&rst
ixpk= 1087, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1299,1300,
igr2=1304,1305,
&end
#
# 154 GLN HB- 154 GLN HE2- 8.00 (# 1088:10 Unique 2.47, 3.99 A)
&rst
ixpk= 1088, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=2092,2093,
igr2=2100,2101,
&end
#
# 154 GLN HB- 154 GLN HE2+ 8.00 (# 1090:10 Unique 2.47, 3.99 A)
&rst
ixpk= 1090, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=2092,2093,
igr2=2100,2101,
&end
#
# 41 TYR HA 44 ILE HN 8.00 (# 1092:10 Unique 3.20, 3.45 A)
&rst
ixpk= 1092, nxpk= 10, iat= 250, 300, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 43 LEU HB+ 44 ILE HN 8.00 (# 1093:10 Unique 2.48, 3.17 A)
&rst
ixpk= 1093, nxpk= 10, iat= -1, 300, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 285, 286,
&end
#
# 0 AMB 10-2:1094 44 ILE HN 4.50 (# 1094:10 Single Ambig)
&rst
ixpk= 1094, nxpk= 10, iat= -1, 300, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 238, 239, 240, 242, 243, 244, 906, 907, 908,
&end
#
# 0 AMB 10-2:1095 70 GLN HE2- 8.00 (# 1095:10 Single Ambig)
&rst
ixpk= 1095, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.31, r4=12.06,
igr1= 719, 720, 691, 692,
igr2= 727, 728,
&end
#
# 45 ARG HD- 45 ARG HE 8.00 (# 1096:10 Unique 2.30, 2.69 A)
&rst
ixpk= 1096, nxpk= 10, iat= -1, 332, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 329, 330,
&end
#
# 45 ARG HA 45 ARG HE 8.00 (# 1097:10 Unique 4.56, 5.89 A)
&rst
ixpk= 1097, nxpk= 10, iat= 321, 332, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 45 ARG HB- 45 ARG HE 8.00 (# 1098:10 Unique 2.28, 4.10 A)
&rst
ixpk= 1098, nxpk= 10, iat= -1, 332, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 323, 324,
&end
#
# 64 GLU HA 65 SER HN 8.00 (# 1099:10 Unique 3.57, 3.60 A)
&rst
ixpk= 1099, nxpk= 10, iat= 633, 646, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 54 ASN HD2+ 55 THR HN 8.00 (# 1100:10 Unique 3.66, 4.81 A)
&rst
ixpk= 1100, nxpk= 10, iat= -1, 491, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 486, 487,
&end
#
# 54 ASN HD2- 55 THR HN 8.00 (# 1101:10 Unique 3.66, 4.81 A)
&rst
ixpk= 1101, nxpk= 10, iat= -1, 491, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 486, 487,
&end
#
# 59 LEU MDY 55 THR HN 8.00 (# 1102:10 Unique 3.69, 6.02 A)
&rst
ixpk= 1102, nxpk= 10, iat= -1, 491, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1= 563, 564, 565, 567, 568, 569,
&end
#
# 55 THR HN 54 ASN HD2+ 8.00 (# 1103:10 Unique 3.66, 4.81 A)
&rst
ixpk= 1103, nxpk= 10, iat= 491, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 486, 487,
&end
#
# 58 GLU HG+ 54 ASN HD2- 8.00 (# 1104:10 Unique 2.49, 5.24 A)
&rst
ixpk= 1104, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 546, 547,
igr2= 486, 487,
&end
#
# 0 AMB 10-2:1105 54 ASN HD2- 8.00 (# 1105:10 Single Ambig)
&rst
ixpk= 1105, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.31, r4=12.06,
igr1= 543, 544, 467, 468,
igr2= 486, 487,
&end
#
# 133 ILE HA 133 ILE HN 8.00 (# 1106:10 Unique 2.90, 2.94 A)
&rst
ixpk= 1106, nxpk= 10, iat=1756,1754, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:1107 133 ILE HN 8.00 (# 1107:10 Single Ambig)
&rst
ixpk= 1107, nxpk= 10, iat= -1,1754, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr1=1722,1723,1496,
&end
#
# 0 AMB 10-2:1109 156 VAL HN 8.00 (# 1109:10 Single Ambig)
&rst
ixpk= 1109, nxpk= 10, iat= -1,2116, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=2075,2090,
&end
#
# 155 CYS HB- 156 VAL HN 8.00 (# 1110:10 Unique 2.50, 3.41 A)
&rst
ixpk= 1110, nxpk= 10, iat= -1,2116, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=2109,2110,
&end
#
# 156 VAL HB 156 VAL HN 8.00 (# 1111:10 Unique 2.16, 3.41 A)
&rst
ixpk= 1111, nxpk= 10, iat=2120,2116, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:1112 156 VAL HN 8.00 (# 1112:10 Single Ambig)
&rst
ixpk= 1112, nxpk= 10, iat= -1,2116, r1= 0.00, r2= 1.80, r3=10.46, r4=11.21,
igr1=2139, 367, 368, 367, 368,
&end
#
# 96 ILE QG2 97 GLY HN 8.00 (# 1113:10 Unique 3.01, 4.03 A)
&rst
ixpk= 1113, nxpk= 10, iat= -1,1155, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr1=1142,1143,1144,
&end
#
# 0 AMB 10-2:1114 62 VAL HN 8.00 (# 1114:10 Single Ambig)
&rst
ixpk= 1114, nxpk= 10, iat= -1, 604, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 573, 539,
&end
#
# 57 GLU HA 62 VAL HN 8.00 (# 1116:10 Unique 2.59, 3.15 A)
&rst
ixpk= 1116, nxpk= 10, iat= 526, 604, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 134 ASN HA 134 ASN HN 6.00 (# 1117:10 Unique 2.91, 2.94 A)
&rst
ixpk= 1117, nxpk= 10, iat=1775,1773, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 29 GLN HA 29 GLN HE2+ 8.00 (# 1118:10 Unique 2.53, 5.04 A)
&rst
ixpk= 1118, nxpk= 10, iat= 47, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 57, 58,
&end
#
# 0 AMB 10-2:1119 29 GLN HE2- 8.00 (# 1119:10 Single Ambig)
&rst
ixpk= 1119, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.31, r4=12.06,
igr1= 52, 53, 52, 53,
igr2= 57, 58,
&end
#
# 0 AMB 10-2:1120 48 ARG HE 8.00 (# 1120:10 Single Ambig)
&rst
ixpk= 1120, nxpk= 10, iat= -1, 389, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 493, 495,
&end
#
# 59 LEU MDY 54 ASN HD2+ 8.00 (# 1121:10 Unique 2.97, 6.38 A)
&rst
ixpk= 1121, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1= 563, 564, 565, 567, 568, 569,
igr2= 486, 487,
&end
#
# 70 GLN HG+ 70 GLN HE2+ 4.50 (# 1122:10 Unique 2.35, 3.27 A)
&rst
ixpk= 1122, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 722, 723,
igr2= 727, 728,
&end
#
# 0 AMB 10-2:1123 82 ARG HE 8.00 (# 1123:10 Single Ambig)
&rst
ixpk= 1123, nxpk= 10, iat= -1, 932, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 929, 930, 929, 930,
&end
#
# 130 ASN HB+ 130 ASN HD2+ 8.00 (# 1125:10 Unique 2.15, 3.29 A)
&rst
ixpk= 1125, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=1705,1706,
igr2=1710,1711,
&end
#
# 130 ASN HB+ 130 ASN HD2- 8.00 (# 1126:10 Unique 2.15, 3.29 A)
&rst
ixpk= 1126, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=1705,1706,
igr2=1710,1711,
&end
#
# 79 VAL HA 79 VAL HN 6.00 (# 1129:10 Unique 2.96, 2.99 A)
&rst
ixpk= 1129, nxpk= 10, iat= 867, 865, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 10-2:1131 115 GLU HN 3.50 (# 1131:10 Single Ambig)
&rst
ixpk= 1131, nxpk= 10, iat= -1,1477, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
igr1=1467,1468,1469,1471,1472,1473,1465,
&end
#
# 79 VAL MGX 115 GLU HN 4.50 (# 1132:10 Unique 3.61, 5.55 A)
&rst
ixpk= 1132, nxpk= 10, iat= -1,1477, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 871, 872, 873, 875, 876, 877,
&end
#
# 114 LEU MDY 115 GLU HN 4.50 (# 1133:10 Unique 2.07, 4.68 A)
&rst
ixpk= 1133, nxpk= 10, iat= -1,1477, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1467,1468,1469,1471,1472,1473,
&end
#
# 114 LEU HB- 115 GLU HN 6.00 (# 1134:10 Unique 2.42, 3.99 A)
&rst
ixpk= 1134, nxpk= 10, iat= -1,1477, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1462,1463,
&end
#
# 79 VAL HB 115 GLU HN 4.50 (# 1136:10 Unique 3.38, 3.70 A)
&rst
ixpk= 1136, nxpk= 10, iat= 869,1477, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 114 LEU HN 79 VAL HN 8.00 (# 1139:10 Unique 4.68, 4.83 A)
&rst
ixpk= 1139, nxpk= 10, iat=1458, 865, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 10-2:1140 0 AMB 10-1:1140 4.50 (# 1140:10 Double Ambig)
&rst
ixpk= 1140, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1481,1482,1440,1441,
igr2=1477, 865,
&end
#
# 126 GLU HB+ 126 GLU HN 3.50 (# 1141:10 Preassigned 2.32, 3.03 A)
&rst
ixpk= 1141, nxpk= 10, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1644,1645,
&end
#
# 0 AMB 10-2:1142 98 LEU HN 3.50 (# 1142:10 Single Ambig)
&rst
ixpk= 1142, nxpk= 10, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1171,1172,1173,1175,1176,1177,1126,1127,1128,1130,
1131,1132,
&end
#
# 133 ILE QG2 98 LEU HN 4.50 (# 1143:10 Unique 2.79, 3.92 A)
&rst
ixpk= 1143, nxpk= 10, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1760,1761,1762,
&end
#
# 155 CYS HB+ 156 VAL HN 8.00 (# 1144:10 Unique 2.50, 3.41 A)
&rst
ixpk= 1144, nxpk= 10, iat= -1,2116, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=2109,2110,
&end
#
# 38 LEU MDX 38 LEU HN 4.50 (# 1145:10 Unique 3.45, 4.41 A)
&rst
ixpk= 1145, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 207, 208, 209, 211, 212, 213,
&end
#
# 56 LEU HB+ 56 LEU HN 6.00 (# 1147:10 Unique 2.14, 2.92 A)
&rst
ixpk= 1147, nxpk= 10, iat= -1, 505, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 509, 510,
&end
#
# 54 ASN HB- 56 LEU HN 6.00 (# 1148:10 Unique 6.18, 6.57 A)
&rst
ixpk= 1148, nxpk= 10, iat= -1, 505, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 481, 482,
&end
#
# 97 GLY HA- 99 CYS HN 4.50 (# 1149:10 Unique 4.31, 4.72 A)
&rst
ixpk= 1149, nxpk= 10, iat= -1,1181, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1157,1158,
&end
#
# 136 LYS HB+ 136 LYS HN 4.50 (# 1150:10 Unique 2.32, 2.67 A)
&rst
ixpk= 1150, nxpk= 10, iat= -1,1799, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1803,1804,
&end
#
# 136 LYS HG+ 136 LYS HN 8.00 (# 1151:10 Unique 2.08, 3.88 A)
&rst
ixpk= 1151, nxpk= 10, iat= -1,1799, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1806,1807,
&end
#
# 52 LYS HG- 52 LYS HN 6.00 (# 1152:10 Unique 2.20, 3.25 A)
&rst
ixpk= 1152, nxpk= 10, iat= -1, 441, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 448, 449,
&end
#
# 131 LYS HB+ 132 GLN HN 4.50 (# 1153:10 Unique 2.46, 3.27 A)
&rst
ixpk= 1153, nxpk= 10, iat= -1,1737, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1719,1720,
&end
#
# 114 LEU HG 105 GLN HE2- 8.00 (# 1154:10 Unique 4.88, 7.84 A)
&rst
ixpk= 1154, nxpk= 10, iat=1465, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1304,1305,
&end
#
# 31 ARG HB+ 31 ARG HN 4.50 (# 1157:10 Unique 2.26, 3.29 A)
&rst
ixpk= 1157, nxpk= 10, iat= -1, 76, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 80, 81,
&end
#
# 162 LEU MDX 162 LEU HN 6.00 (# 1158:10 Unique 1.69, 4.37 A)
&rst
ixpk= 1158, nxpk= 10, iat= -1,2209, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=2218,2219,2220,2222,2223,2224,
&end
#
# 0 AMB 10-2:1159 68 GLU HN 6.00 (# 1159:10 Single Ambig)
&rst
ixpk= 1159, nxpk= 10, iat= -1, 684, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1= 238, 239, 240, 242, 243, 244, 906, 907, 908,
&end
#
# 0 AMB 10-2:1161 0 AMB 10-1:1161 4.50 (# 1161:10 Double Ambig)
&rst
ixpk= 1161, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 290, 291, 292, 294, 295, 296, 306, 307, 308,1467,
1468,1469,1471,1472,1473,1767,1768,1769,
igr2=1273,1211,
&end
#
# 0 AMB 10-2:1162 147 ASN HN 4.50 (# 1162:10 Single Ambig)
&rst
ixpk= 1162, nxpk= 10, iat= -1,1966, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1956,1957,1956,1957,
&end
#
# 98 LEU HB- 98 LEU HN 4.50 (# 1163:10 Unique 2.14, 2.82 A)
&rst
ixpk= 1163, nxpk= 10, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1166,1167,
&end
#
# 98 LEU HB+ 98 LEU HN 3.50 (# 1164:10 Unique 2.14, 2.82 A)
&rst
ixpk= 1164, nxpk= 10, iat= -1,1162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1166,1167,
&end
#
# 31 ARG HB+ 32 ILE HN 2.80 (# 1165:10 Unique 2.01, 3.25 A)
&rst
ixpk= 1165, nxpk= 10, iat= -1, 100, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 80, 81,
&end
#
# 0 AMB 10-2:1166 80 ILE HN 4.50 (# 1166:10 Single Ambig)
&rst
ixpk= 1166, nxpk= 10, iat= -1, 881, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 891, 892, 910, 911,
&end
#
# 0 AMB 10-2:1167 44 ILE HN 4.50 (# 1167:10 Single Ambig)
&rst
ixpk= 1167, nxpk= 10, iat= -1, 300, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 313, 314, 315, 370, 371, 372,
&end
#
# 138 ARG HG- 138 ARG HN 3.50 (# 1168:10 Preassigned 2.22, 3.20 A)
&rst
ixpk= 1168, nxpk= 10, iat= -1,1836, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1843,1844,
&end
#
# 138 ARG HG+ 138 ARG HN 4.50 (# 1169:10 Unique 2.22, 3.20 A)
&rst
ixpk= 1169, nxpk= 10, iat= -1,1836, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1843,1844,
&end
#
# 127 GLU HG+ 127 GLU HN 4.50 (# 1170:10 Unique 2.19, 2.98 A)
&rst
ixpk= 1170, nxpk= 10, iat= -1,1655, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1662,1663,
&end
#
# 164 HIS HA 164 HIS HN 4.50 (# 1171:10 Unique 2.84, 2.92 A)
&rst
ixpk= 1171, nxpk= 10, iat=2245,2243, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 105 GLN HG+ 105 GLN HN 4.50 (# 1172:10 Unique 4.29, 4.45 A)
&rst
ixpk= 1172, nxpk= 10, iat= -1,1292, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1299,1300,
&end
#
# 0 AMB 10-2:1173 0 AMB 10-1:1173 3.50 (# 1173:10 Double Ambig)
&rst
ixpk= 1173, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2213,2214, 814, 815,
igr2=2209, 825,
&end
#
# 131 LYS HB+ 131 LYS HN 3.50 (# 1174:10 Unique 2.32, 2.61 A)
&rst
ixpk= 1174, nxpk= 10, iat= -1,1715, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1719,1720,
&end
#
# 0 AMB 10-2:1175 111 LYS HN 4.50 (# 1175:10 Single Ambig)
&rst
ixpk= 1175, nxpk= 10, iat= -1,1397, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1401,1402,1370,1371,
&end
#
# 58 GLU HB+ 58 GLU HN 4.50 (# 1177:10 Unique 2.32, 2.88 A)
&rst
ixpk= 1177, nxpk= 10, iat= -1, 539, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 543, 544,
&end
#
# 126 GLU HB- 126 GLU HN 4.50 (# 1178:10 Unique 2.32, 3.03 A)
&rst
ixpk= 1178, nxpk= 10, iat= -1,1640, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1644,1645,
&end
#
# 127 GLU HA 0 AMB 10-1:1179 6.00 (# 1179:10 Single Ambig)
&rst
ixpk= 1179, nxpk= 10, iat=1657, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1682,1640,
&end
#
# 161 GLN HA 162 LEU HN 3.50 (# 1180:10 Unique 2.08, 3.34 A)
&rst
ixpk= 1180, nxpk= 10, iat=2194,2209, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1181 134 ASN HN 4.50 (# 1181:10 Single Ambig)
&rst
ixpk= 1181, nxpk= 10, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1756,1717,
&end
#
# 0 AMB 10-2:1182 134 ASN HN 8.00 (# 1182:10 Single Ambig)
&rst
ixpk= 1182, nxpk= 10, iat= -1,1773, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=1791,1792,1705,1706,
&end
#
# 135 ASP HB+ 134 ASN HN 8.00 (# 1183:10 Unique 4.48, 4.80 A)
&rst
ixpk= 1183, nxpk= 10, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1791,1792,
&end
#
# 70 GLN HN 69 VAL HA 2.80 (# 1:20 Unique 2.10, 2.18 A)
&rst
ixpk= 1, nxpk= 20, iat= 715, 701, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 69 VAL HN 69 VAL HA 6.00 (# 2:20 Unique 2.85, 2.93 A)
&rst
ixpk= 2, nxpk= 20, iat= 699, 701, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 81 ILE HN 80 ILE HA 3.50 (# 3:20 Unique 2.13, 2.19 A)
&rst
ixpk= 3, nxpk= 20, iat= 900, 883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 117 TYR HD 117 TYR HA 4.50 (# 4:20 Unique 2.22, 3.70 A)
&rst
ixpk= 4, nxpk= 20, iat= -1,1513, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1519,1528,
&end
#
# 0 AMB 20-2:5 117 TYR HA 2.80 (# 5:20 Single Ambig)
&rst
ixpk= 5, nxpk= 20, iat= -1,1513, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1532,1511,
&end
#
# 83 PHE HN 83 PHE HA 6.00 (# 6:20 Unique 2.86, 2.95 A)
&rst
ixpk= 6, nxpk= 20, iat= 943, 945, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 84 THR HN 83 PHE HA 3.50 (# 7:20 Unique 2.17, 2.32 A)
&rst
ixpk= 7, nxpk= 20, iat= 963, 945, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 PHE HD 83 PHE HA 6.00 (# 8:20 Unique 4.08, 4.24 A)
&rst
ixpk= 8, nxpk= 20, iat= -1, 945, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 951, 959,
&end
#
# 117 TYR HN 82 ARG HA 6.00 (# 9:20 Unique 2.70, 2.89 A)
&rst
ixpk= 9, nxpk= 20, iat=1511, 921, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 83 PHE HN 82 ARG HA 3.50 (# 10:20 Unique 2.15, 2.29 A)
&rst
ixpk= 10, nxpk= 20, iat= 943, 921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 82 ARG HN 82 ARG HA 6.00 (# 11:20 Unique 2.96, 2.99 A)
&rst
ixpk= 11, nxpk= 20, iat= 919, 921, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:12 82 ARG HA 6.00 (# 12:20 Single Ambig)
&rst
ixpk= 12, nxpk= 20, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 951, 959,1519,1528,
&end
#
# 0 AMB 20-2:14 114 LEU HA 2.80 (# 14:20 Single Ambig)
&rst
ixpk= 14, nxpk= 20, iat= -1,1460, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1477, 865,
&end
#
# 54 ASN HN 54 ASN HA 4.50 (# 15:20 Unique 2.87, 2.91 A)
&rst
ixpk= 15, nxpk= 20, iat= 477, 479, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 55 THR HN 54 ASN HA 2.80 (# 16:20 Unique 2.26, 2.42 A)
&rst
ixpk= 16, nxpk= 20, iat= 491, 479, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 54 ASN HD2+ 54 ASN HA 4.50 (# 17:20 Unique 2.64, 3.77 A)
&rst
ixpk= 17, nxpk= 20, iat= -1, 479, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 486, 487,
&end
#
# 54 ASN HD2- 54 ASN HA 4.50 (# 18:20 Unique 2.64, 3.77 A)
&rst
ixpk= 18, nxpk= 20, iat= -1, 479, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 486, 487,
&end
#
# 84 THR HN 84 THR HB 4.50 (# 23:20 Unique 2.44, 2.86 A)
&rst
ixpk= 23, nxpk= 20, iat= 963, 967, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 87 VAL HN 86 THR HB 6.00 (# 24:20 Unique 3.11, 3.52 A)
&rst
ixpk= 24, nxpk= 20, iat=1005, 995, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:25 125 THR HB 6.00 (# 25:20 Single Ambig)
&rst
ixpk= 25, nxpk= 20, iat= -1,1630, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1640,1682,
&end
#
# 94 THR HN 94 THR HB 4.50 (# 26:20 Unique 2.51, 3.22 A)
&rst
ixpk= 26, nxpk= 20, iat=1103,1107, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 LEU HN 94 THR HB 4.50 (# 27:20 Unique 2.48, 3.10 A)
&rst
ixpk= 27, nxpk= 20, iat=1117,1107, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 THR HN 94 THR HA 4.50 (# 28:20 Unique 2.84, 2.89 A)
&rst
ixpk= 28, nxpk= 20, iat=1103,1105, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 LEU HN 94 THR HA 8.00 (# 29:20 Unique 3.54, 3.59 A)
&rst
ixpk= 29, nxpk= 20, iat=1117,1105, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 64 GLU HN 63 SER HB- 4.50 (# 30:20 Unique 2.37, 3.51 A)
&rst
ixpk= 30, nxpk= 20, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 624, 625,
&end
#
# 64 GLU HN 63 SER HB+ 4.50 (# 31:20 Unique 2.37, 3.51 A)
&rst
ixpk= 31, nxpk= 20, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 624, 625,
&end
#
# 147 ASN HN 146 PRO HA 6.00 (# 32:20 Unique 3.61, 3.63 A)
&rst
ixpk= 32, nxpk= 20, iat=1966,1962, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 149 ARG HN 146 PRO HA 4.50 (# 33:20 Unique 3.58, 3.84 A)
&rst
ixpk= 33, nxpk= 20, iat=1999,1962, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 150 GLU HN 146 PRO HA 6.00 (# 34:20 Unique 3.74, 3.84 A)
&rst
ixpk= 34, nxpk= 20, iat=2023,1962, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 51 GLU HN 50 PRO HA 6.00 (# 35:20 Unique 2.09, 3.48 A)
&rst
ixpk= 35, nxpk= 20, iat= 426, 422, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 86 THR HN 86 THR HA 6.00 (# 36:20 Unique 2.24, 2.83 A)
&rst
ixpk= 36, nxpk= 20, iat= 991, 993, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 87 VAL HN 86 THR HA 4.50 (# 37:20 Unique 3.45, 3.50 A)
&rst
ixpk= 37, nxpk= 20, iat=1005, 993, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 154 GLN HN 151 ILE HA 6.00 (# 38:20 Unique 3.17, 3.56 A)
&rst
ixpk= 38, nxpk= 20, iat=2088,2040, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 151 ILE HN 151 ILE HA 4.50 (# 39:20 Unique 2.86, 2.90 A)
&rst
ixpk= 39, nxpk= 20, iat=2038,2040, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 152 VAL HN 151 ILE HA 4.50 (# 40:20 Unique 3.59, 3.61 A)
&rst
ixpk= 40, nxpk= 20, iat=2057,2040, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 103 LYS HN 99 CYS HA 6.00 (# 41:20 Unique 3.44, 3.66 A)
&rst
ixpk= 41, nxpk= 20, iat=1251,1183, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 99 CYS HN 99 CYS HA 4.50 (# 42:20 Unique 2.84, 2.86 A)
&rst
ixpk= 42, nxpk= 20, iat=1181,1183, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 160 ASP HN 159 PRO HA 2.80 (# 43:20 Unique 2.14, 2.32 A)
&rst
ixpk= 43, nxpk= 20, iat=2180,2176, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 110 PHE HN 109 PRO HA 6.00 (# 44:20 Unique 2.22, 3.39 A)
&rst
ixpk= 44, nxpk= 20, iat=1377,1373, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 84 THR HN 61 VAL HA 4.50 (# 45:20 Unique 3.03, 3.39 A)
&rst
ixpk= 45, nxpk= 20, iat= 963, 590, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 VAL HN 61 VAL HA 6.00 (# 46:20 Unique 2.79, 2.91 A)
&rst
ixpk= 46, nxpk= 20, iat= 588, 590, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 62 VAL HN 61 VAL HA 6.00 (# 47:20 Unique 3.11, 3.50 A)
&rst
ixpk= 47, nxpk= 20, iat= 604, 590, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 31 ARG HN 30 PRO HA 3.50 (# 48:20 Unique 2.16, 2.47 A)
&rst
ixpk= 48, nxpk= 20, iat= 76, 72, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 ARG HN 155 CYS HA 6.00 (# 49:20 Unique 2.70, 3.12 A)
&rst
ixpk= 49, nxpk= 20, iat= 376,2107, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 155 CYS HN 155 CYS HA 4.50 (# 50:20 Unique 2.85, 2.89 A)
&rst
ixpk= 50, nxpk= 20, iat=2105,2107, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 SER HN 65 SER HB+ 4.50 (# 51:20 Unique 2.35, 3.05 A)
&rst
ixpk= 51, nxpk= 20, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 650, 651,
&end
#
# 134 ASN HN 133 ILE HA 6.00 (# 52:20 Unique 3.42, 3.50 A)
&rst
ixpk= 52, nxpk= 20, iat=1773,1756, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 73 ASN HN 72 ILE HA 4.50 (# 53:20 Unique 3.51, 3.53 A)
&rst
ixpk= 53, nxpk= 20, iat= 766, 749, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 65 SER HN 65 SER HB- 4.50 (# 54:20 Unique 2.35, 3.05 A)
&rst
ixpk= 54, nxpk= 20, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 650, 651,
&end
#
# 86 THR HN 85 PRO HA 4.50 (# 55:20 Unique 2.19, 2.41 A)
&rst
ixpk= 55, nxpk= 20, iat= 991, 987, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 ILE HN 44 ILE HA 6.00 (# 56:20 Unique 2.95, 2.97 A)
&rst
ixpk= 56, nxpk= 20, iat= 300, 302, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:57 0 AMB 20-1:57 4.50 (# 57:20 Double Ambig)
&rst
ixpk= 57, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1754, 319,
igr2=1756, 302,
&end
#
# 47 ILE HN 47 ILE HA 6.00 (# 58:20 Unique 2.88, 2.90 A)
&rst
ixpk= 58, nxpk= 20, iat= 357, 359, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 48 ARG HN 47 ILE HA 3.50 (# 59:20 Unique 2.14, 2.19 A)
&rst
ixpk= 59, nxpk= 20, iat= 376, 359, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 122 THR HN 122 THR HA 6.00 (# 60:20 Unique 2.79, 2.89 A)
&rst
ixpk= 60, nxpk= 20, iat=1584,1586, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 54 ASN HN 53 PRO HA 4.50 (# 61:20 Unique 3.44, 3.50 A)
&rst
ixpk= 61, nxpk= 20, iat= 477, 473, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 MET HN 32 ILE HA 3.50 (# 62:20 Unique 2.06, 2.14 A)
&rst
ixpk= 62, nxpk= 20, iat= 119, 102, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 ILE HN 32 ILE HA 4.50 (# 63:20 Unique 2.20, 2.79 A)
&rst
ixpk= 63, nxpk= 20, iat= 100, 102, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 TYR HN 41 TYR HA 6.00 (# 64:20 Unique 2.82, 2.85 A)
&rst
ixpk= 64, nxpk= 20, iat= 248, 250, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 41 TYR HD 41 TYR HA 4.50 (# 65:20 Unique 2.25, 3.51 A)
&rst
ixpk= 65, nxpk= 20, iat= -1, 250, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 256, 265,
&end
#
# 156 VAL HN 156 VAL HA 4.50 (# 66:20 Unique 2.82, 2.92 A)
&rst
ixpk= 66, nxpk= 20, iat=2116,2118, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 157 LEU HN 156 VAL HA 6.00 (# 67:20 Unique 3.47, 3.51 A)
&rst
ixpk= 67, nxpk= 20, iat=2132,2118, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 46 THR HN 46 THR HA 6.00 (# 68:20 Unique 2.24, 2.73 A)
&rst
ixpk= 68, nxpk= 20, iat= 343, 345, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 108 LEU HN 107 CYS HA 8.00 (# 69:20 Unique 3.44, 3.54 A)
&rst
ixpk= 69, nxpk= 20, iat=1344,1335, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 107 CYS HN 107 CYS HA 4.50 (# 70:20 Unique 2.88, 2.94 A)
&rst
ixpk= 70, nxpk= 20, iat=1333,1335, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 136 LYS HN 136 LYS HA 6.00 (# 71:20 Unique 2.77, 2.80 A)
&rst
ixpk= 71, nxpk= 20, iat=1799,1801, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 137 GLU HN 136 LYS HA 4.50 (# 72:20 Unique 3.55, 3.59 A)
&rst
ixpk= 72, nxpk= 20, iat=1821,1801, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 139 VAL HN 136 LYS HA 4.50 (# 73:20 Unique 3.34, 3.54 A)
&rst
ixpk= 73, nxpk= 20, iat=1860,1801, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 140 ALA HN 136 LYS HA 6.00 (# 74:20 Unique 3.73, 3.89 A)
&rst
ixpk= 74, nxpk= 20, iat=1876,1801, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 66 CYS HN 66 CYS HA 4.50 (# 75:20 Unique 2.87, 2.94 A)
&rst
ixpk= 75, nxpk= 20, iat= 657, 659, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 VAL HN 66 CYS HA 6.00 (# 76:20 Unique 3.31, 3.40 A)
&rst
ixpk= 76, nxpk= 20, iat= 668, 659, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 35 GLU HN 0 AMB 20-1:77 3.50 (# 77:20 Single Ambig)
&rst
ixpk= 77, nxpk= 20, iat= 151, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 153, 138,
&end
#
# 118 ILE HN 118 ILE HA 6.00 (# 78:20 Unique 2.94, 2.98 A)
&rst
ixpk= 78, nxpk= 20, iat=1532,1534, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 103 LYS HN 103 LYS HA 6.00 (# 79:20 Unique 2.83, 2.86 A)
&rst
ixpk= 79, nxpk= 20, iat=1251,1253, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 150 GLU HN 149 ARG HA 6.00 (# 80:20 Unique 3.62, 3.64 A)
&rst
ixpk= 80, nxpk= 20, iat=2023,2001, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 152 VAL HN 149 ARG HA 6.00 (# 81:20 Unique 3.38, 3.57 A)
&rst
ixpk= 81, nxpk= 20, iat=2057,2001, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 42 ASP HN 39 GLU HA 4.50 (# 82:20 Unique 3.32, 3.46 A)
&rst
ixpk= 82, nxpk= 20, iat= 269, 219, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 ALA HN 0 AMB 20-1:83 4.50 (# 83:20 Single Ambig)
&rst
ixpk= 83, nxpk= 20, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 138, 153,
&end
#
# 132 GLN HN 132 GLN HA 3.50 (# 84:20 Unique 2.85, 2.88 A)
&rst
ixpk= 84, nxpk= 20, iat=1737,1739, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:85 103 LYS HA 6.00 (# 85:20 Single Ambig)
&rst
ixpk= 85, nxpk= 20, iat= -1,1253, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1309,1333,
&end
#
# 149 ARG HN 149 ARG HA 4.50 (# 86:20 Unique 2.77, 2.80 A)
&rst
ixpk= 86, nxpk= 20, iat=1999,2001, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 VAL HN 65 SER HA 6.00 (# 87:20 Unique 3.56, 3.74 A)
&rst
ixpk= 87, nxpk= 20, iat= 668, 648, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 61 VAL HN 57 GLU HA 6.00 (# 88:20 Unique 3.63, 3.99 A)
&rst
ixpk= 88, nxpk= 20, iat= 588, 526, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:89 57 GLU HA 4.50 (# 89:20 Single Ambig)
&rst
ixpk= 89, nxpk= 20, iat= -1, 526, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 573, 539,
&end
#
# 57 GLU HN 57 GLU HA 4.50 (# 90:20 Unique 2.87, 2.91 A)
&rst
ixpk= 90, nxpk= 20, iat= 524, 526, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 VAL HN 57 GLU HA 6.00 (# 91:20 Unique 2.59, 3.15 A)
&rst
ixpk= 91, nxpk= 20, iat= 604, 526, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:92 0 AMB 20-1:92 4.50 (# 92:20 Double Ambig)
&rst
ixpk= 92, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1836,1682,
igr2=1823,1657,
&end
#
# 0 AMB 20-2:93 131 LYS HA 3.50 (# 93:20 Single Ambig)
&rst
ixpk= 93, nxpk= 20, iat= -1,1717, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1715,1737,
&end
#
# 137 GLU HN 137 GLU HA 3.50 (# 94:20 Unique 2.82, 2.91 A)
&rst
ixpk= 94, nxpk= 20, iat=1821,1823, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 105 GLN HN 105 GLN HA 3.50 (# 95:20 Unique 2.79, 2.82 A)
&rst
ixpk= 95, nxpk= 20, iat=1292,1294, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:96 105 GLN HA 4.50 (# 96:20 Single Ambig)
&rst
ixpk= 96, nxpk= 20, iat= -1,1294, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1309,1333,
&end
#
# 120 GLU HN 119 SER HA 3.50 (# 97:20 Unique 2.15, 2.62 A)
&rst
ixpk= 97, nxpk= 20, iat=1562,1553, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 150 GLU HN 150 GLU HA 3.50 (# 98:20 Unique 2.80, 2.83 A)
&rst
ixpk= 98, nxpk= 20, iat=2023,2025, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:99 0 AMB 20-1:99 6.00 (# 99:20 Double Ambig)
&rst
ixpk= 99, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=2038,1773,
igr2=2025,1739,
&end
#
# 0 AMB 20-2:100 58 GLU HA 3.50 (# 100:20 Single Ambig)
&rst
ixpk= 100, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 539, 573,
&end
#
# 66 CYS HN 65 SER HA 6.00 (# 102:20 Unique 3.43, 3.50 A)
&rst
ixpk= 102, nxpk= 20, iat= 657, 648, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 65 SER HN 65 SER HA 4.50 (# 103:20 Unique 2.80, 2.84 A)
&rst
ixpk= 103, nxpk= 20, iat= 646, 648, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 130 ASN HD2+ 127 GLU HA 6.00 (# 104:20 Unique 2.08, 3.50 A)
&rst
ixpk= 104, nxpk= 20, iat= -1,1657, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1710,1711,
&end
#
# 0 AMB 20-2:105 127 GLU HA 3.50 (# 105:20 Single Ambig)
&rst
ixpk= 105, nxpk= 20, iat= -1,1657, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1655,1701,
&end
#
# 74 GLU HN 74 GLU HA 3.50 (# 106:20 Unique 2.76, 2.83 A)
&rst
ixpk= 106, nxpk= 20, iat= 780, 782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:107 0 AMB 20-1:107 3.50 (# 107:20 Double Ambig)
&rst
ixpk= 107, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1710,1711, 554, 810,
igr2=1642, 541, 782,
&end
#
# 0 AMB 20-2:108 0 AMB 20-1:108 3.50 (# 108:20 Double Ambig)
&rst
ixpk= 108, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 795,1562,
igr2= 782,1642,
&end
#
# 128 ASP HN 127 GLU HA 6.00 (# 109:20 Unique 3.54, 3.57 A)
&rst
ixpk= 109, nxpk= 20, iat=1670,1657, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:110 0 AMB 20-1:110 3.50 (# 110:20 Double Ambig)
&rst
ixpk= 110, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 166, 188,1896,
igr2= 168,1838,
&end
#
# 138 ARG HN 138 ARG HA 4.50 (# 111:20 Unique 2.86, 2.88 A)
&rst
ixpk= 111, nxpk= 20, iat=1836,1838, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 LEU HN 95 LEU HA 4.50 (# 112:20 Unique 2.80, 2.85 A)
&rst
ixpk= 112, nxpk= 20, iat=1117,1119, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 87 VAL HN 87 VAL HA 6.00 (# 113:20 Unique 2.91, 2.96 A)
&rst
ixpk= 113, nxpk= 20, iat=1005,1007, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 154 GLN HN 154 GLN HA 3.50 (# 114:20 Unique 2.84, 2.88 A)
&rst
ixpk= 114, nxpk= 20, iat=2088,2090, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 155 CYS HN 154 GLN HA 6.00 (# 115:20 Unique 3.55, 3.58 A)
&rst
ixpk= 115, nxpk= 20, iat=2105,2090, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 98 LEU HN 95 LEU HA 4.50 (# 116:20 Unique 3.15, 3.42 A)
&rst
ixpk= 116, nxpk= 20, iat=1162,1119, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 VAL HN 60 GLU HA 4.50 (# 117:20 Unique 2.87, 3.06 A)
&rst
ixpk= 117, nxpk= 20, iat= 588, 575, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 108 LEU HN 104 LEU HA 6.00 (# 118:20 Unique 2.91, 3.34 A)
&rst
ixpk= 118, nxpk= 20, iat=1344,1275, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 98 LEU HN 98 LEU HA 4.50 (# 119:20 Unique 2.79, 2.87 A)
&rst
ixpk= 119, nxpk= 20, iat=1162,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 GLU HN 60 GLU HA 2.80 (# 120:20 Unique 2.21, 2.23 A)
&rst
ixpk= 120, nxpk= 20, iat= 573, 575, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 62 VAL HN 60 GLU HA 4.50 (# 121:20 Unique 3.42, 3.63 A)
&rst
ixpk= 121, nxpk= 20, iat= 604, 575, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:122 104 LEU HA 6.00 (# 122:20 Single Ambig)
&rst
ixpk= 122, nxpk= 20, iat= -1,1275, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1333,1309,
&end
#
# 104 LEU HN 104 LEU HA 4.50 (# 123:20 Unique 2.87, 2.90 A)
&rst
ixpk= 123, nxpk= 20, iat=1273,1275, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 111 LYS HN 111 LYS HA 4.50 (# 124:20 Unique 2.23, 2.84 A)
&rst
ixpk= 124, nxpk= 20, iat=1397,1399, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 112 HIS HN 111 LYS HA 2.80 (# 125:20 Unique 2.11, 2.61 A)
&rst
ixpk= 125, nxpk= 20, iat=1419,1399, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 120 GLU HN 120 GLU HA 4.50 (# 126:20 Unique 2.20, 2.64 A)
&rst
ixpk= 126, nxpk= 20, iat=1562,1564, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 LEU HN 38 LEU HA 3.50 (# 127:20 Unique 2.84, 2.87 A)
&rst
ixpk= 127, nxpk= 20, iat= 198, 200, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 56 LEU HN 56 LEU HA 6.00 (# 128:20 Unique 2.80, 2.86 A)
&rst
ixpk= 128, nxpk= 20, iat= 505, 507, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 78 LEU HN 71 GLU HA 8.00 (# 129:20 Unique 3.24, 3.67 A)
&rst
ixpk= 129, nxpk= 20, iat= 846, 734, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 45 ARG HE 42 ASP HA 4.50 (# 130:20 Unique 2.09, 2.71 A)
&rst
ixpk= 130, nxpk= 20, iat= 332, 271, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 42 ASP HN 42 ASP HA 4.50 (# 131:20 Unique 2.83, 2.85 A)
&rst
ixpk= 131, nxpk= 20, iat= 269, 271, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 72 ILE HN 71 GLU HA 3.50 (# 132:20 Unique 2.14, 2.20 A)
&rst
ixpk= 132, nxpk= 20, iat= 747, 734, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 TYR HD 71 GLU HA 4.50 (# 133:20 Unique 2.11, 3.97 A)
&rst
ixpk= 133, nxpk= 20, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 833, 842,
&end
#
# 0 AMB 20-2:134 0 AMB 20-1:134 4.50 (# 134:20 Double Ambig)
&rst
ixpk= 134, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 766,2057,
igr2= 734,1982,
&end
#
# 0 AMB 20-2:135 0 AMB 20-1:135 8.00 (# 135:20 Double Ambig)
&rst
ixpk= 135, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1=2256, 256, 265,
igr2=2230, 271,
&end
#
# 43 LEU HN 42 ASP HA 6.00 (# 136:20 Unique 3.47, 3.54 A)
&rst
ixpk= 136, nxpk= 20, iat= 281, 271, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 51 GLU HN 51 GLU HA 4.50 (# 137:20 Unique 2.24, 2.96 A)
&rst
ixpk= 137, nxpk= 20, iat= 426, 428, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 ILE HN 31 ARG HA 3.50 (# 138:20 Unique 2.13, 2.68 A)
&rst
ixpk= 138, nxpk= 20, iat= 100, 78, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 43 LEU HN 43 LEU HA 4.50 (# 139:20 Unique 2.85, 2.86 A)
&rst
ixpk= 139, nxpk= 20, iat= 281, 283, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 163 GLU HN 163 GLU HA 4.50 (# 141:20 Unique 2.21, 2.89 A)
&rst
ixpk= 141, nxpk= 20, iat=2228,2230, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 52 LYS HN 51 GLU HA 6.00 (# 142:20 Unique 3.36, 3.61 A)
&rst
ixpk= 142, nxpk= 20, iat= 441, 428, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:143 0 AMB 20-1:143 4.50 (# 143:20 Double Ambig)
&rst
ixpk= 143, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 300,1938,
igr2= 283,1925,
&end
#
# 144 GLU HN 144 GLU HA 3.50 (# 144:20 Unique 2.86, 2.89 A)
&rst
ixpk= 144, nxpk= 20, iat=1923,1925, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 75 GLU HN 75 GLU HA 3.50 (# 145:20 Unique 2.90, 2.98 A)
&rst
ixpk= 145, nxpk= 20, iat= 795, 797, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 129 ILE HN 128 ASP HA 3.50 (# 146:20 Unique 3.52, 3.55 A)
&rst
ixpk= 146, nxpk= 20, iat=1682,1672, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 128 ASP HN 128 ASP HA 6.00 (# 147:20 Unique 2.92, 2.94 A)
&rst
ixpk= 147, nxpk= 20, iat=1670,1672, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 164 HIS HD2 164 HIS HA 4.50 (# 148:20 Unique 2.75, 4.05 A)
&rst
ixpk= 148, nxpk= 20, iat=2256,2245, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:149 28 ARG HA 3.50 (# 149:20 Single Ambig)
&rst
ixpk= 149, nxpk= 20, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 45, 21,
&end
#
# 77 TYR HN 76 GLU HA 3.50 (# 150:20 Unique 2.14, 2.20 A)
&rst
ixpk= 150, nxpk= 20, iat= 825, 812, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 76 GLU HN 76 GLU HA 6.00 (# 151:20 Unique 2.84, 2.92 A)
&rst
ixpk= 151, nxpk= 20, iat= 810, 812, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 147 ASN HN 147 ASN HA 3.50 (# 152:20 Unique 2.83, 2.85 A)
&rst
ixpk= 152, nxpk= 20, iat=1966,1968, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 148 LEU HN 147 ASN HA 6.00 (# 153:20 Unique 3.59, 3.60 A)
&rst
ixpk= 153, nxpk= 20, iat=1980,1968, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:154 147 ASN HA 6.00 (# 154:20 Single Ambig)
&rst
ixpk= 154, nxpk= 20, iat= -1,1968, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1975,1976,2023,
&end
#
# 161 GLN HN 161 GLN HA 2.80 (# 156:20 Unique 2.26, 2.79 A)
&rst
ixpk= 156, nxpk= 20, iat=2192,2194, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 162 LEU HN 161 GLN HA 3.50 (# 157:20 Unique 2.08, 3.34 A)
&rst
ixpk= 157, nxpk= 20, iat=2209,2194, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ALA HN 93 ALA HA 6.00 (# 158:20 Unique 2.76, 2.82 A)
&rst
ixpk= 158, nxpk= 20, iat=1093,1095, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 130 ASN HN 130 ASN HA 3.50 (# 159:20 Unique 2.78, 2.83 A)
&rst
ixpk= 159, nxpk= 20, iat=1701,1703, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:160 130 ASN HA 4.50 (# 160:20 Single Ambig)
&rst
ixpk= 160, nxpk= 20, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1715,1737,
&end
#
# 37 ALA HN 37 ALA HA 4.50 (# 161:20 Unique 2.86, 2.88 A)
&rst
ixpk= 161, nxpk= 20, iat= 188, 190, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 115 GLU HN 115 GLU HA 6.00 (# 162:20 Unique 2.92, 2.97 A)
&rst
ixpk= 162, nxpk= 20, iat=1477,1479, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 116 ILE HN 115 GLU HA 3.50 (# 163:20 Unique 2.13, 2.21 A)
&rst
ixpk= 163, nxpk= 20, iat=1492,1479, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 144 GLU HN 143 MET HA 6.00 (# 164:20 Unique 3.51, 3.55 A)
&rst
ixpk= 164, nxpk= 20, iat=1923,1908, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 143 MET HN 143 MET HA 4.50 (# 165:20 Unique 2.92, 2.95 A)
&rst
ixpk= 165, nxpk= 20, iat=1906,1908, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 163 GLU HN 162 LEU HA 3.50 (# 166:20 Unique 3.28, 3.44 A)
&rst
ixpk= 166, nxpk= 20, iat=2228,2211, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 162 LEU HN 162 LEU HA 4.50 (# 167:20 Unique 2.21, 2.52 A)
&rst
ixpk= 167, nxpk= 20, iat=2209,2211, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 158 GLU HN 157 LEU HA 2.80 (# 168:20 Unique 2.06, 2.22 A)
&rst
ixpk= 168, nxpk= 20, iat=2151,2134, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 157 LEU HN 157 LEU HA 3.50 (# 169:20 Unique 2.85, 2.91 A)
&rst
ixpk= 169, nxpk= 20, iat=2132,2134, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 80 ILE HN 68 GLU HA 6.00 (# 170:20 Unique 4.82, 4.92 A)
&rst
ixpk= 170, nxpk= 20, iat= 881, 686, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 68 GLU HN 68 GLU HA 6.00 (# 171:20 Unique 2.93, 2.96 A)
&rst
ixpk= 171, nxpk= 20, iat= 684, 686, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 33 MET HN 33 MET HA 4.50 (# 172:20 Unique 2.90, 2.95 A)
&rst
ixpk= 172, nxpk= 20, iat= 119, 121, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 114 LEU HN 113 LYS HA 2.80 (# 173:20 Unique 2.19, 2.26 A)
&rst
ixpk= 173, nxpk= 20, iat=1458,1438, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 113 LYS HN 113 LYS HA 6.00 (# 174:20 Unique 2.90, 2.97 A)
&rst
ixpk= 174, nxpk= 20, iat=1436,1438, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 28 ARG HN 27 MET HA 6.00 (# 175:20 Unique 2.16, 2.62 A)
&rst
ixpk= 175, nxpk= 20, iat= 21, 6, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 145 ASN HN 143 MET HA 6.00 (# 176:20 Unique 4.13, 4.41 A)
&rst
ixpk= 176, nxpk= 20, iat=1938,1908, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:177 142 ALA HA 3.50 (# 177:20 Single Ambig)
&rst
ixpk= 177, nxpk= 20, iat= -1,1898, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1896,1947,1948,
&end
#
# 0 AMB 20-2:178 0 AMB 20-1:178 4.50 (# 178:20 Double Ambig)
&rst
ixpk= 178, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1906,2116,
igr2=1898,2134,
&end
#
# 142 ALA HN 140 ALA HA 6.00 (# 179:20 Unique 4.43, 4.54 A)
&rst
ixpk= 179, nxpk= 20, iat=1896,1878, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 69 VAL HN 68 GLU HA 3.50 (# 180:20 Unique 2.29, 2.34 A)
&rst
ixpk= 180, nxpk= 20, iat= 699, 686, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:181 140 ALA HA 3.50 (# 181:20 Single Ambig)
&rst
ixpk= 181, nxpk= 20, iat= -1,1878, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1876,1906,
&end
#
# 160 ASP HN 160 ASP HA 3.50 (# 182:20 Unique 2.22, 2.81 A)
&rst
ixpk= 182, nxpk= 20, iat=2180,2182, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 161 GLN HN 160 ASP HA 3.50 (# 183:20 Unique 2.23, 3.29 A)
&rst
ixpk= 183, nxpk= 20, iat=2192,2182, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:184 141 ALA HA 4.50 (# 184:20 Single Ambig)
&rst
ixpk= 184, nxpk= 20, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1947,1948,1896,
&end
#
# 144 GLU HN 141 ALA HA 4.50 (# 185:20 Unique 3.26, 3.36 A)
&rst
ixpk= 185, nxpk= 20, iat=1923,1888, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 141 ALA HN 141 ALA HA 3.50 (# 186:20 Unique 2.83, 2.85 A)
&rst
ixpk= 186, nxpk= 20, iat=1886,1888, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 158 GLU HN 158 GLU HA 4.50 (# 187:20 Unique 2.77, 2.90 A)
&rst
ixpk= 187, nxpk= 20, iat=2151,2153, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 59 LEU HN 59 LEU HA 4.50 (# 188:20 Unique 2.91, 2.94 A)
&rst
ixpk= 188, nxpk= 20, iat= 554, 556, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 GLU HN 59 LEU HA 4.50 (# 189:20 Unique 3.17, 3.28 A)
&rst
ixpk= 189, nxpk= 20, iat= 573, 556, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 136 LYS HN 135 ASP HA 4.50 (# 190:20 Unique 2.10, 2.13 A)
&rst
ixpk= 190, nxpk= 20, iat=1799,1789, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 135 ASP HN 135 ASP HA 6.00 (# 191:20 Unique 2.79, 2.86 A)
&rst
ixpk= 191, nxpk= 20, iat=1787,1789, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 52 LYS HN 52 LYS HA 6.00 (# 192:20 Unique 2.89, 2.92 A)
&rst
ixpk= 192, nxpk= 20, iat= 441, 443, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 49 ASP HN 49 ASP HA 6.00 (# 193:20 Unique 2.87, 2.90 A)
&rst
ixpk= 193, nxpk= 20, iat= 400, 402, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 108 LEU HN 108 LEU HA 6.00 (# 194:20 Unique 2.86, 2.93 A)
&rst
ixpk= 194, nxpk= 20, iat=1344,1346, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 73 ASN HD2+ 73 ASN HA 6.00 (# 195:20 Unique 2.52, 3.95 A)
&rst
ixpk= 195, nxpk= 20, iat= -1, 768, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 775, 776,
&end
#
# 74 GLU HN 73 ASN HA 4.50 (# 196:20 Unique 2.50, 2.66 A)
&rst
ixpk= 196, nxpk= 20, iat= 780, 768, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 ASN HN 73 ASN HA 3.50 (# 197:20 Unique 2.85, 2.90 A)
&rst
ixpk= 197, nxpk= 20, iat= 766, 768, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 147 ASN HN 146 PRO HD+ 6.00 (# 198:20 Unique 2.79, 3.48 A)
&rst
ixpk= 198, nxpk= 20, iat=1966, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1953,1954,
&end
#
# 147 ASN HN 146 PRO HD- 4.50 (# 199:20 Unique 2.79, 3.48 A)
&rst
ixpk= 199, nxpk= 20, iat=1966, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1953,1954,
&end
#
# 0 AMB 20-2:200 0 AMB 20-1:200 6.00 (# 200:20 Double Ambig)
&rst
ixpk= 200, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1551,2180,
igr2= 978, 979,2167,2168,
&end
#
# 0 AMB 20-2:201 0 AMB 20-1:201 4.50 (# 201:20 Double Ambig)
&rst
ixpk= 201, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 620, 657,
igr2= 661, 662, 661, 662,
&end
#
# 70 GLN HA 32 ILE HA 6.00 (# 205:20 Unique 2.59, 3.54 A)
&rst
ixpk= 205, nxpk= 20, iat= 717, 102, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 55 THR HB 46 THR HA 4.50 (# 206:20 Unique 2.44, 2.99 A)
&rst
ixpk= 206, nxpk= 20, iat= 495, 345, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 TYR HA 71 GLU HA 4.50 (# 207:20 Unique 2.17, 2.60 A)
&rst
ixpk= 207, nxpk= 20, iat= 827, 734, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 55 THR HA 48 ARG HA 3.50 (# 208:20 Unique 1.99, 2.07 A)
&rst
ixpk= 208, nxpk= 20, iat= 493, 378, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 145 ASN HA 146 PRO HD+ 2.80 (# 209:20 Unique 2.07, 2.36 A)
&rst
ixpk= 209, nxpk= 20, iat=1940, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1953,1954,
&end
#
# 145 ASN HA 146 PRO HD- 2.80 (# 210:20 Unique 2.07, 2.36 A)
&rst
ixpk= 210, nxpk= 20, iat=1940, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1953,1954,
&end
#
# 66 CYS HA 66 CYS HB+ 4.50 (# 212:20 Unique 2.27, 2.71 A)
&rst
ixpk= 212, nxpk= 20, iat= 659, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 661, 662,
&end
#
# 0 AMB 20-2:214 139 VAL HA 4.50 (# 214:20 Single Ambig)
&rst
ixpk= 214, nxpk= 20, iat= -1,1862, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1876,1906,
&end
#
# 139 VAL HN 139 VAL HA 4.50 (# 215:20 Unique 2.84, 2.87 A)
&rst
ixpk= 215, nxpk= 20, iat=1860,1862, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 142 ALA HN 139 VAL HA 6.00 (# 216:20 Unique 3.43, 3.60 A)
&rst
ixpk= 216, nxpk= 20, iat=1896,1862, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 102 VAL HN 102 VAL HA 4.50 (# 217:20 Unique 2.82, 2.85 A)
&rst
ixpk= 217, nxpk= 20, iat=1235,1237, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 VAL HN 40 VAL HA 4.50 (# 218:20 Unique 2.85, 2.86 A)
&rst
ixpk= 218, nxpk= 20, iat= 232, 234, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 152 VAL HN 152 VAL HA 3.50 (# 219:20 Unique 2.82, 2.84 A)
&rst
ixpk= 219, nxpk= 20, iat=2057,2059, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 ILE HN 96 ILE HA 4.50 (# 220:20 Unique 2.86, 2.88 A)
&rst
ixpk= 220, nxpk= 20, iat=1136,1138, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:221 96 ILE HA 6.00 (# 221:20 Single Ambig)
&rst
ixpk= 221, nxpk= 20, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1181,1155,
&end
#
# 132 GLN HN 129 ILE HA 6.00 (# 222:20 Unique 2.84, 3.27 A)
&rst
ixpk= 222, nxpk= 20, iat=1737,1684, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 129 ILE HN 129 ILE HA 4.50 (# 223:20 Unique 2.88, 2.91 A)
&rst
ixpk= 223, nxpk= 20, iat=1682,1684, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:224 100 LEU HA 8.00 (# 224:20 Single Ambig)
&rst
ixpk= 224, nxpk= 20, iat= -1,1194, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1211,1273,
&end
#
# 100 LEU HN 100 LEU HA 6.00 (# 225:20 Unique 2.80, 2.83 A)
&rst
ixpk= 225, nxpk= 20, iat=1192,1194, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 45 ARG HN 45 ARG HA 4.50 (# 226:20 Unique 2.66, 2.79 A)
&rst
ixpk= 226, nxpk= 20, iat= 319, 321, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 GLU HN 50 PRO HD- 6.00 (# 227:20 Unique 3.06, 3.80 A)
&rst
ixpk= 227, nxpk= 20, iat= 426, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 413, 414,
&end
#
# 97 GLY HN 97 GLY HA+ 4.50 (# 228:20 Unique 2.29, 2.59 A)
&rst
ixpk= 228, nxpk= 20, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1157,1158,
&end
#
# 98 LEU HN 97 GLY HA- 6.00 (# 229:20 Unique 2.76, 3.22 A)
&rst
ixpk= 229, nxpk= 20, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1157,1158,
&end
#
# 111 LYS HN 110 PHE HB+ 4.50 (# 230:20 Unique 2.29, 3.28 A)
&rst
ixpk= 230, nxpk= 20, iat=1397, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1381,1382,
&end
#
# 110 PHE HD 110 PHE HB+ 4.50 (# 231:20 Unique 2.32, 3.09 A)
&rst
ixpk= 231, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1385,1393,
igr2=1381,1382,
&end
#
# 145 ASN HN 145 ASN HB+ 3.50 (# 233:20 Unique 2.28, 2.51 A)
&rst
ixpk= 233, nxpk= 20, iat=1938, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1942,1943,
&end
#
# 0 AMB 20-2:234 66 CYS HB- 4.50 (# 234:20 Single Ambig)
&rst
ixpk= 234, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 620, 657,
igr2= 661, 662,
&end
#
# 99 CYS HN 99 CYS HB+ 6.00 (# 235:20 Unique 2.39, 2.95 A)
&rst
ixpk= 235, nxpk= 20, iat=1181, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1185,1186,
&end
#
# 100 LEU HN 99 CYS HB+ 6.00 (# 236:20 Unique 2.45, 3.15 A)
&rst
ixpk= 236, nxpk= 20, iat=1192, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1185,1186,
&end
#
# 110 PHE HA 110 PHE HB+ 4.50 (# 237:20 Unique 2.28, 2.64 A)
&rst
ixpk= 237, nxpk= 20, iat=1379, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1381,1382,
&end
#
# 145 ASN HA 145 ASN HB+ 6.00 (# 238:20 Unique 2.42, 2.74 A)
&rst
ixpk= 238, nxpk= 20, iat=1940, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1942,1943,
&end
#
# 108 LEU HA 109 PRO HD- 3.50 (# 239:20 Unique 1.99, 2.44 A)
&rst
ixpk= 239, nxpk= 20, iat=1346, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1364,1365,
&end
#
# 149 ARG HA 149 ARG HD+ 6.00 (# 241:20 Unique 4.12, 4.57 A)
&rst
ixpk= 241, nxpk= 20, iat=2001, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2009,2010,
&end
#
# 54 ASN HD2- 54 ASN HB+ 6.00 (# 242:20 Unique 2.24, 3.34 A)
&rst
ixpk= 242, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 486, 487,
igr2= 481, 482,
&end
#
# 55 THR HN 54 ASN HB+ 4.50 (# 243:20 Unique 2.24, 3.11 A)
&rst
ixpk= 243, nxpk= 20, iat= 491, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 481, 482,
&end
#
# 54 ASN HD2+ 54 ASN HB+ 4.50 (# 244:20 Unique 2.24, 3.34 A)
&rst
ixpk= 244, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 486, 487,
igr2= 481, 482,
&end
#
# 54 ASN HN 54 ASN HB+ 6.00 (# 245:20 Unique 2.35, 2.94 A)
&rst
ixpk= 245, nxpk= 20, iat= 477, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 481, 482,
&end
#
# 0 AMB 20-2:246 106 ARG HD- 6.00 (# 246:20 Single Ambig)
&rst
ixpk= 246, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1309,1333,
igr2=1319,1320,
&end
#
# 45 ARG HE 45 ARG HD+ 4.50 (# 247:20 Unique 2.30, 2.69 A)
&rst
ixpk= 247, nxpk= 20, iat= 332, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 329, 330,
&end
#
# 45 ARG HE 45 ARG HD- 4.50 (# 248:20 Unique 2.30, 2.69 A)
&rst
ixpk= 248, nxpk= 20, iat= 332, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 329, 330,
&end
#
# 41 TYR HD 45 ARG HD- 8.00 (# 249:20 Unique 2.51, 5.14 A)
&rst
ixpk= 249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 256, 265,
igr2= 329, 330,
&end
#
# 82 ARG HE 0 AMB 20-1:250 6.00 (# 250:20 Single Ambig)
&rst
ixpk= 250, nxpk= 20, iat= 932, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2= 929, 930, 929, 930,
&end
#
# 48 ARG HE 48 ARG HD+ 6.00 (# 251:20 Unique 2.37, 2.82 A)
&rst
ixpk= 251, nxpk= 20, iat= 389, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 386, 387,
&end
#
# 0 AMB 20-2:252 117 TYR HB- 4.50 (# 252:20 Single Ambig)
&rst
ixpk= 252, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1532,1511,
igr2=1515,1516,
&end
#
# 117 TYR HD 117 TYR HB- 4.50 (# 253:20 Unique 2.33, 3.08 A)
&rst
ixpk= 253, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1519,1528,
igr2=1515,1516,
&end
#
# 117 TYR HA 117 TYR HB- 4.50 (# 254:20 Unique 2.33, 2.67 A)
&rst
ixpk= 254, nxpk= 20, iat=1513, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1515,1516,
&end
#
# 77 TYR HN 113 LYS HE- 6.00 (# 255:20 Unique 4.06, 7.07 A)
&rst
ixpk= 255, nxpk= 20, iat= 825, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1449,1450,
&end
#
# 135 ASP HN 135 ASP HB+ 4.50 (# 256:20 Unique 2.37, 2.54 A)
&rst
ixpk= 256, nxpk= 20, iat=1787, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1791,1792,
&end
#
# 135 ASP HN 135 ASP HB- 4.50 (# 257:20 Unique 2.37, 2.54 A)
&rst
ixpk= 257, nxpk= 20, iat=1787, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1791,1792,
&end
#
# 83 PHE HD 83 PHE HB- 6.00 (# 258:20 Unique 2.35, 3.08 A)
&rst
ixpk= 258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 951, 959,
igr2= 947, 948,
&end
#
# 83 PHE HA 83 PHE HB- 4.50 (# 259:20 Unique 2.30, 2.43 A)
&rst
ixpk= 259, nxpk= 20, iat= 945, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 947, 948,
&end
#
# 78 LEU HN 77 TYR HB+ 6.00 (# 260:20 Unique 2.50, 3.26 A)
&rst
ixpk= 260, nxpk= 20, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 829, 830,
&end
#
# 134 ASN HN 134 ASN HB+ 6.00 (# 261:20 Unique 2.34, 2.66 A)
&rst
ixpk= 261, nxpk= 20, iat=1773, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1777,1778,
&end
#
# 77 TYR HD 77 TYR HB+ 4.50 (# 262:20 Unique 2.28, 3.08 A)
&rst
ixpk= 262, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 833, 842,
igr2= 829, 830,
&end
#
# 77 TYR HA 77 TYR HB+ 6.00 (# 263:20 Unique 2.31, 2.68 A)
&rst
ixpk= 263, nxpk= 20, iat= 827, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 829, 830,
&end
#
# 134 ASN HD2+ 134 ASN HB+ 4.50 (# 264:20 Unique 2.18, 3.35 A)
&rst
ixpk= 264, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1782,1783,
igr2=1777,1778,
&end
#
# 110 PHE HD 110 PHE HB- 4.50 (# 265:20 Unique 2.32, 3.09 A)
&rst
ixpk= 265, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1385,1393,
igr2=1381,1382,
&end
#
# 110 PHE HA 110 PHE HB- 4.50 (# 266:20 Unique 2.28, 2.64 A)
&rst
ixpk= 266, nxpk= 20, iat=1379, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1381,1382,
&end
#
# 111 LYS HN 110 PHE HB- 6.00 (# 267:20 Unique 2.29, 3.28 A)
&rst
ixpk= 267, nxpk= 20, iat=1397, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1381,1382,
&end
#
# 74 GLU HN 0 AMB 20-1:268 3.50 (# 268:20 Single Ambig)
&rst
ixpk= 268, nxpk= 20, iat= 780, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 770, 771, 770, 771,
&end
#
# 73 ASN HD2- 0 AMB 20-1:269 4.50 (# 269:20 Single Ambig)
&rst
ixpk= 269, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 775, 776,
igr2= 770, 771, 770, 771,
&end
#
# 0 AMB 20-2:270 0 AMB 20-1:270 3.50 (# 270:20 Double Ambig)
&rst
ixpk= 270, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 775, 776, 775, 776,
igr2= 770, 771, 770, 771,
&end
#
# 73 ASN HN 0 AMB 20-1:271 4.50 (# 271:20 Single Ambig)
&rst
ixpk= 271, nxpk= 20, iat= 766, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 770, 771, 770, 771,
&end
#
# 145 ASN HD2+ 145 ASN HB- 4.50 (# 272:20 Unique 2.25, 3.35 A)
&rst
ixpk= 272, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1947,1948,
igr2=1942,1943,
&end
#
# 145 ASN HA 145 ASN HB- 4.50 (# 273:20 Unique 2.42, 2.74 A)
&rst
ixpk= 273, nxpk= 20, iat=1940, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1942,1943,
&end
#
# 148 LEU HN 145 ASN HB- 6.00 (# 274:20 Unique 3.17, 4.11 A)
&rst
ixpk= 274, nxpk= 20, iat=1980, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1942,1943,
&end
#
# 0 AMB 20-2:275 0 AMB 20-1:275 6.00 (# 275:20 Double Ambig)
&rst
ixpk= 275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1=1975,1976,1975,1976,
igr2=1970,1971,1970,1971,
&end
#
# 148 LEU HN 0 AMB 20-1:276 3.50 (# 276:20 Single Ambig)
&rst
ixpk= 276, nxpk= 20, iat=1980, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1970,1971,1970,1971,
&end
#
# 147 ASN HN 0 AMB 20-1:277 2.80 (# 277:20 Single Ambig)
&rst
ixpk= 277, nxpk= 20, iat=1966, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1970,1971,1970,1971,
&end
#
# 41 TYR HD 41 TYR HB- 4.50 (# 280:20 Unique 2.28, 3.09 A)
&rst
ixpk= 280, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 256, 265,
igr2= 252, 253,
&end
#
# 41 TYR HN 41 TYR HB- 4.50 (# 281:20 Unique 2.14, 2.52 A)
&rst
ixpk= 281, nxpk= 20, iat= 248, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 252, 253,
&end
#
# 130 ASN HN 130 ASN HB+ 4.50 (# 282:20 Unique 2.26, 2.91 A)
&rst
ixpk= 282, nxpk= 20, iat=1701, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1705,1706,
&end
#
# 130 ASN HD2+ 130 ASN HB+ 6.00 (# 283:20 Unique 2.15, 3.29 A)
&rst
ixpk= 283, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1710,1711,
igr2=1705,1706,
&end
#
# 130 ASN HD2+ 130 ASN HB- 6.00 (# 284:20 Unique 2.15, 3.29 A)
&rst
ixpk= 284, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1710,1711,
igr2=1705,1706,
&end
#
# 130 ASN HN 130 ASN HB- 6.00 (# 285:20 Unique 2.26, 2.91 A)
&rst
ixpk= 285, nxpk= 20, iat=1701, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1705,1706,
&end
#
# 113 LYS HN 0 AMB 20-1:286 4.50 (# 286:20 Single Ambig)
&rst
ixpk= 286, nxpk= 20, iat=1436, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1423,1424,1423,1424,
&end
#
# 112 HIS HA 0 AMB 20-1:287 4.50 (# 287:20 Single Ambig)
&rst
ixpk= 287, nxpk= 20, iat=1421, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1423,1424,1423,1424,
&end
#
# 0 AMB 20-2:288 0 AMB 20-1:288 6.00 (# 288:20 Double Ambig)
&rst
ixpk= 288, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1=1432, 835, 840,
igr2=1423,1424,1423,1424,1423,1424,
&end
#
# 107 CYS HN 107 CYS HB+ 4.50 (# 289:20 Unique 2.40, 3.02 A)
&rst
ixpk= 289, nxpk= 20, iat=1333, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1337,1338,
&end
#
# 89 HIS HD2 89 HIS HB- 6.00 (# 290:20 Unique 2.55, 3.25 A)
&rst
ixpk= 290, nxpk= 20, iat=1048, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1039,1040,
&end
#
# 164 HIS HD2 0 AMB 20-1:291 3.50 (# 291:20 Single Ambig)
&rst
ixpk= 291, nxpk= 20, iat=2256, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=2264,2265,2247,2248,
&end
#
# 164 HIS HD2 164 HIS HB- 3.50 (# 292:20 Unique 2.50, 3.28 A)
&rst
ixpk= 292, nxpk= 20, iat=2256, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2247,2248,
&end
#
# 155 CYS HN 155 CYS HB- 4.50 (# 294:20 Unique 2.29, 2.99 A)
&rst
ixpk= 294, nxpk= 20, iat=2105, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2109,2110,
&end
#
# 42 ASP HA 45 ARG HD+ 4.50 (# 295:20 Unique 1.97, 3.42 A)
&rst
ixpk= 295, nxpk= 20, iat= 271, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 329, 330,
&end
#
# 42 ASP HA 45 ARG HD- 4.50 (# 296:20 Unique 1.97, 3.42 A)
&rst
ixpk= 296, nxpk= 20, iat= 271, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 329, 330,
&end
#
# 0 AMB 20-2:297 0 AMB 20-1:297 4.50 (# 297:20 Double Ambig)
&rst
ixpk= 297, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1311,2107,
igr2=1319,1320, 386, 387,
&end
#
# 159 PRO HA 48 ARG HD- 6.00 (# 298:20 Unique 2.31, 4.43 A)
&rst
ixpk= 298, nxpk= 20, iat=2176, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 386, 387,
&end
#
# 0 AMB 20-2:300 0 AMB 20-1:300 4.50 (# 300:20 Double Ambig)
&rst
ixpk= 300, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 797,1717,
igr2=1410,1411,1410,1411,1791,1792,
&end
#
# 53 PRO HD+ 52 LYS HE- 6.00 (# 301:20 Unique 2.65, 6.10 A)
&rst
ixpk= 301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 464, 465,
igr2= 454, 455,
&end
#
# 147 ASN HA 0 AMB 20-1:303 2.80 (# 303:20 Single Ambig)
&rst
ixpk= 303, nxpk= 20, iat=1968, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1970,1971,1970,1971,
&end
#
# 0 AMB 20-2:304 0 AMB 20-1:304 6.00 (# 304:20 Double Ambig)
&rst
ixpk= 304, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1982,1962,
igr2=1970,1971,1970,1971,1970,1971,
&end
#
# 127 GLU HA 130 ASN HB+ 4.50 (# 305:20 Unique 2.15, 3.86 A)
&rst
ixpk= 305, nxpk= 20, iat=1657, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1705,1706,
&end
#
# 165 HIS HA 165 HIS HB- 4.50 (# 306:20 Unique 2.46, 2.77 A)
&rst
ixpk= 306, nxpk= 20, iat=2262, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2264,2265,
&end
#
# 90 CYS HA 90 CYS HB+ 8.00 (# 308:20 Unique 2.42, 2.68 A)
&rst
ixpk= 308, nxpk= 20, iat=1054, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1056,1057,
&end
#
# 90 CYS HA 90 CYS HB- 6.00 (# 309:20 Unique 2.42, 2.68 A)
&rst
ixpk= 309, nxpk= 20, iat=1054, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1056,1057,
&end
#
# 117 TYR HD 117 TYR HB+ 4.50 (# 310:20 Unique 2.33, 3.08 A)
&rst
ixpk= 310, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1519,1528,
igr2=1515,1516,
&end
#
# 0 AMB 20-2:311 0 AMB 20-1:311 6.00 (# 311:20 Double Ambig)
&rst
ixpk= 311, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1532,1511,
igr2=1515,1516,1515,1516,
&end
#
# 83 PHE HD 83 PHE HB+ 6.00 (# 312:20 Unique 2.35, 3.08 A)
&rst
ixpk= 312, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 951, 959,
igr2= 947, 948,
&end
#
# 134 ASN HD2+ 134 ASN HB- 4.50 (# 313:20 Unique 2.18, 3.35 A)
&rst
ixpk= 313, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1782,1783,
igr2=1777,1778,
&end
#
# 43 LEU HN 42 ASP HB- 4.50 (# 314:20 Unique 2.74, 3.48 A)
&rst
ixpk= 314, nxpk= 20, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 273, 274,
&end
#
# 42 ASP HN 42 ASP HB- 3.50 (# 315:20 Unique 2.26, 2.50 A)
&rst
ixpk= 315, nxpk= 20, iat= 269, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 273, 274,
&end
#
# 55 THR HN 58 GLU HG+ 8.00 (# 316:20 Unique 3.02, 4.00 A)
&rst
ixpk= 316, nxpk= 20, iat= 491, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 546, 547,
&end
#
# 58 GLU HN 58 GLU HG- 6.00 (# 317:20 Unique 2.33, 3.36 A)
&rst
ixpk= 317, nxpk= 20, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 546, 547,
&end
#
# 58 GLU HN 58 GLU HG+ 4.50 (# 318:20 Unique 2.33, 3.36 A)
&rst
ixpk= 318, nxpk= 20, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 546, 547,
&end
#
# 35 GLU HN 0 AMB 20-1:319 3.50 (# 319:20 Single Ambig)
&rst
ixpk= 319, nxpk= 20, iat= 151, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 158, 159, 143, 144,
&end
#
# 144 GLU HN 144 GLU HG- 4.50 (# 320:20 Unique 2.54, 4.04 A)
&rst
ixpk= 320, nxpk= 20, iat=1923, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1930,1931,
&end
#
# 39 GLU HN 39 GLU HG+ 3.50 (# 321:20 Unique 2.36, 2.98 A)
&rst
ixpk= 321, nxpk= 20, iat= 217, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 224, 225,
&end
#
# 153 GLU HN 0 AMB 20-1:322 3.50 (# 322:20 Single Ambig)
&rst
ixpk= 322, nxpk= 20, iat=2073, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=2080,2081,2080,2081,
&end
#
# 132 GLN HN 132 GLN HG+ 3.50 (# 323:20 Unique 2.28, 3.20 A)
&rst
ixpk= 323, nxpk= 20, iat=1737, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1744,1745,
&end
#
# 155 CYS HN 154 GLN HG+ 6.00 (# 324:20 Unique 4.62, 4.98 A)
&rst
ixpk= 324, nxpk= 20, iat=2105, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2095,2096,
&end
#
# 154 GLN HE2+ 154 GLN HG+ 3.50 (# 325:20 Unique 2.27, 3.37 A)
&rst
ixpk= 325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2100,2101,
igr2=2095,2096,
&end
#
# 105 GLN HN 105 GLN HG+ 4.50 (# 326:20 Unique 4.29, 4.45 A)
&rst
ixpk= 326, nxpk= 20, iat=1292, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1299,1300,
&end
#
# 155 CYS HN 154 GLN HG- 6.00 (# 327:20 Unique 4.62, 4.98 A)
&rst
ixpk= 327, nxpk= 20, iat=2105, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2095,2096,
&end
#
# 132 GLN HE2+ 132 GLN HG+ 4.50 (# 328:20 Unique 2.27, 3.33 A)
&rst
ixpk= 328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1749,1750,
igr2=1744,1745,
&end
#
# 0 AMB 20-2:329 0 AMB 20-1:329 4.50 (# 329:20 Double Ambig)
&rst
ixpk= 329, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1304,1305,1749,1750,
igr2=1299,1300,1744,1745,
&end
#
# 154 GLN HN 154 GLN HG+ 3.50 (# 330:20 Unique 2.39, 3.14 A)
&rst
ixpk= 330, nxpk= 20, iat=2088, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2095,2096,
&end
#
# 154 GLN HN 154 GLN HG- 3.50 (# 331:20 Unique 2.39, 3.14 A)
&rst
ixpk= 331, nxpk= 20, iat=2088, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2095,2096,
&end
#
# 29 GLN HE2- 0 AMB 20-1:332 6.00 (# 332:20 Single Ambig)
&rst
ixpk= 332, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 57, 58,
igr2= 52, 53, 52, 53,
&end
#
# 0 AMB 20-2:333 0 AMB 20-1:333 6.00 (# 333:20 Double Ambig)
&rst
ixpk= 333, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1= 57, 58, 57, 58,
igr2= 52, 53, 52, 53,
&end
#
# 0 AMB 20-2:334 0 AMB 20-1:334 6.00 (# 334:20 Double Ambig)
&rst
ixpk= 334, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 76, 45,
igr2= 52, 53, 52, 53, 52, 53,
&end
#
# 143 MET HN 143 MET HG- 4.50 (# 335:20 Unique 2.40, 3.18 A)
&rst
ixpk= 335, nxpk= 20, iat=1906, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1913,1914,
&end
#
# 33 MET HN 33 MET HG+ 6.00 (# 336:20 Unique 2.24, 3.31 A)
&rst
ixpk= 336, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 126, 127,
&end
#
# 41 TYR HN 40 VAL HB 6.00 (# 337:20 Unique 2.67, 2.79 A)
&rst
ixpk= 337, nxpk= 20, iat= 248, 236, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 40 VAL HN 40 VAL HB 4.50 (# 338:20 Unique 2.31, 2.35 A)
&rst
ixpk= 338, nxpk= 20, iat= 232, 236, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 58 GLU HN 58 GLU HB+ 6.00 (# 339:20 Unique 2.32, 2.88 A)
&rst
ixpk= 339, nxpk= 20, iat= 539, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 543, 544,
&end
#
# 117 TYR HA 117 TYR HB+ 6.00 (# 340:20 Unique 2.33, 2.67 A)
&rst
ixpk= 340, nxpk= 20, iat=1513, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1515,1516,
&end
#
# 83 PHE HA 83 PHE HB+ 4.50 (# 341:20 Unique 2.30, 2.43 A)
&rst
ixpk= 341, nxpk= 20, iat= 945, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 947, 948,
&end
#
# 29 GLN HA 0 AMB 20-1:342 4.50 (# 342:20 Single Ambig)
&rst
ixpk= 342, nxpk= 20, iat= 47, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 52, 53, 52, 53,
&end
#
# 143 MET HA 143 MET HG- 6.00 (# 343:20 Unique 2.64, 3.36 A)
&rst
ixpk= 343, nxpk= 20, iat=1908, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1913,1914,
&end
#
# 33 MET HA 33 MET HG+ 6.00 (# 344:20 Unique 2.46, 3.35 A)
&rst
ixpk= 344, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 126, 127,
&end
#
# 85 PRO HA 85 PRO HB+ 6.00 (# 345:20 Unique 2.31, 2.52 A)
&rst
ixpk= 345, nxpk= 20, iat= 987, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 984, 985,
&end
#
# 102 VAL HA 105 GLN HG+ 4.50 (# 350:20 Unique 4.39, 5.07 A)
&rst
ixpk= 350, nxpk= 20, iat=1237, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1299,1300,
&end
#
# 151 ILE HA 154 GLN HG+ 6.00 (# 351:20 Unique 3.22, 4.75 A)
&rst
ixpk= 351, nxpk= 20, iat=2040, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2095,2096,
&end
#
# 151 ILE HA 154 GLN HG- 6.00 (# 352:20 Unique 3.22, 4.75 A)
&rst
ixpk= 352, nxpk= 20, iat=2040, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2095,2096,
&end
#
# 30 PRO HD- 0 AMB 20-1:353 6.00 (# 353:20 Single Ambig)
&rst
ixpk= 353, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 63, 64,
igr2= 52, 53, 52, 53,
&end
#
# 114 LEU HA 114 LEU HB+ 6.00 (# 357:20 Unique 2.25, 2.76 A)
&rst
ixpk= 357, nxpk= 20, iat=1460, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1462,1463,
&end
#
# 114 LEU HN 114 LEU HB- 4.50 (# 358:20 Unique 2.28, 2.86 A)
&rst
ixpk= 358, nxpk= 20, iat=1458, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1462,1463,
&end
#
# 115 GLU HN 114 LEU HB- 6.00 (# 359:20 Unique 2.42, 3.99 A)
&rst
ixpk= 359, nxpk= 20, iat=1477, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1462,1463,
&end
#
# 55 THR HN 54 ASN HB- 6.00 (# 360:20 Unique 2.24, 3.11 A)
&rst
ixpk= 360, nxpk= 20, iat= 491, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 481, 482,
&end
#
# 54 ASN HA 54 ASN HB- 4.50 (# 361:20 Unique 2.44, 2.77 A)
&rst
ixpk= 361, nxpk= 20, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 481, 482,
&end
#
# 54 ASN HN 54 ASN HB- 6.00 (# 362:20 Unique 2.35, 2.94 A)
&rst
ixpk= 362, nxpk= 20, iat= 477, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 481, 482,
&end
#
# 54 ASN HD2+ 54 ASN HB- 4.50 (# 363:20 Unique 2.24, 3.34 A)
&rst
ixpk= 363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 486, 487,
igr2= 481, 482,
&end
#
# 114 LEU HN 114 LEU HB+ 4.50 (# 364:20 Unique 2.28, 2.86 A)
&rst
ixpk= 364, nxpk= 20, iat=1458, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1462,1463,
&end
#
# 114 LEU HA 114 LEU HB- 6.00 (# 366:20 Unique 2.25, 2.76 A)
&rst
ixpk= 366, nxpk= 20, iat=1460, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1462,1463,
&end
#
# 78 LEU HN 78 LEU HB+ 6.00 (# 367:20 Unique 2.31, 2.66 A)
&rst
ixpk= 367, nxpk= 20, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 850, 851,
&end
#
# 78 LEU HA 78 LEU HB+ 4.50 (# 368:20 Unique 2.42, 2.76 A)
&rst
ixpk= 368, nxpk= 20, iat= 848, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 850, 851,
&end
#
# 49 ASP HN 49 ASP HB+ 4.50 (# 369:20 Unique 2.30, 2.50 A)
&rst
ixpk= 369, nxpk= 20, iat= 400, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 404, 405,
&end
#
# 78 LEU HN 78 LEU HB- 6.00 (# 370:20 Unique 2.31, 2.66 A)
&rst
ixpk= 370, nxpk= 20, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 850, 851,
&end
#
# 78 LEU HA 78 LEU HB- 4.50 (# 371:20 Unique 2.42, 2.76 A)
&rst
ixpk= 371, nxpk= 20, iat= 848, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 850, 851,
&end
#
# 43 LEU HN 43 LEU HB+ 4.50 (# 372:20 Unique 2.10, 2.50 A)
&rst
ixpk= 372, nxpk= 20, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 285, 286,
&end
#
# 43 LEU HN 43 LEU HB- 4.50 (# 373:20 Unique 2.10, 2.50 A)
&rst
ixpk= 373, nxpk= 20, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 285, 286,
&end
#
# 59 LEU HN 59 LEU HB+ 6.00 (# 374:20 Unique 2.17, 2.92 A)
&rst
ixpk= 374, nxpk= 20, iat= 554, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 558, 559,
&end
#
# 59 LEU HN 59 LEU HB- 6.00 (# 375:20 Unique 2.17, 2.92 A)
&rst
ixpk= 375, nxpk= 20, iat= 554, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 558, 559,
&end
#
# 96 ILE HN 95 LEU HB+ 6.00 (# 376:20 Unique 2.49, 3.17 A)
&rst
ixpk= 376, nxpk= 20, iat=1136, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1121,1122,
&end
#
# 95 LEU HN 95 LEU HB+ 3.50 (# 377:20 Unique 2.19, 2.80 A)
&rst
ixpk= 377, nxpk= 20, iat=1117, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1121,1122,
&end
#
# 95 LEU HN 95 LEU HB- 4.50 (# 378:20 Unique 2.19, 2.80 A)
&rst
ixpk= 378, nxpk= 20, iat=1117, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1121,1122,
&end
#
# 100 LEU HN 100 LEU HB- 6.00 (# 379:20 Unique 2.05, 2.66 A)
&rst
ixpk= 379, nxpk= 20, iat=1192, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1196,1197,
&end
#
# 158 GLU HN 157 LEU HB+ 4.50 (# 380:20 Unique 2.29, 3.44 A)
&rst
ixpk= 380, nxpk= 20, iat=2151, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2136,2137,
&end
#
# 157 LEU HN 157 LEU HB+ 3.50 (# 381:20 Unique 2.16, 2.91 A)
&rst
ixpk= 381, nxpk= 20, iat=2132, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2136,2137,
&end
#
# 96 ILE HN 95 LEU HB- 8.00 (# 382:20 Unique 2.49, 3.17 A)
&rst
ixpk= 382, nxpk= 20, iat=1136, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1121,1122,
&end
#
# 158 GLU HN 157 LEU HB- 4.50 (# 383:20 Unique 2.29, 3.44 A)
&rst
ixpk= 383, nxpk= 20, iat=2151, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2136,2137,
&end
#
# 163 GLU HN 162 LEU HB- 6.00 (# 384:20 Unique 2.34, 3.46 A)
&rst
ixpk= 384, nxpk= 20, iat=2228, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2213,2214,
&end
#
# 157 LEU HN 157 LEU HB- 4.50 (# 385:20 Unique 2.16, 2.91 A)
&rst
ixpk= 385, nxpk= 20, iat=2132, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2136,2137,
&end
#
# 98 LEU HN 98 LEU HB+ 4.50 (# 386:20 Unique 2.14, 2.82 A)
&rst
ixpk= 386, nxpk= 20, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1166,1167,
&end
#
# 99 CYS HN 98 LEU HB+ 4.50 (# 387:20 Unique 2.52, 3.07 A)
&rst
ixpk= 387, nxpk= 20, iat=1181, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1166,1167,
&end
#
# 93 ALA HN 92 LEU HB+ 6.00 (# 388:20 Unique 2.47, 3.25 A)
&rst
ixpk= 388, nxpk= 20, iat=1093, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1078,1079,
&end
#
# 162 LEU HN 162 LEU HB+ 3.50 (# 389:20 Unique 2.48, 3.51 A)
&rst
ixpk= 389, nxpk= 20, iat=2209, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2213,2214,
&end
#
# 163 GLU HN 162 LEU HB+ 4.50 (# 390:20 Unique 2.34, 3.46 A)
&rst
ixpk= 390, nxpk= 20, iat=2228, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2213,2214,
&end
#
# 162 LEU HN 162 LEU HB- 4.50 (# 391:20 Unique 2.48, 3.51 A)
&rst
ixpk= 391, nxpk= 20, iat=2209, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2213,2214,
&end
#
# 0 AMB 20-2:392 81 ILE HB 4.50 (# 392:20 Single Ambig)
&rst
ixpk= 392, nxpk= 20, iat= -1, 904, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1494, 902,
&end
#
# 81 ILE HN 81 ILE HB 4.50 (# 393:20 Unique 2.67, 2.84 A)
&rst
ixpk= 393, nxpk= 20, iat= 900, 904, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 108 LEU HN 108 LEU HB- 6.00 (# 394:20 Unique 2.26, 2.89 A)
&rst
ixpk= 394, nxpk= 20, iat=1344, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1348,1349,
&end
#
# 108 LEU HN 108 LEU HB+ 4.50 (# 396:20 Unique 2.26, 2.89 A)
&rst
ixpk= 396, nxpk= 20, iat=1344, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1348,1349,
&end
#
# 148 LEU HN 148 LEU HB- 4.50 (# 397:20 Unique 2.32, 3.01 A)
&rst
ixpk= 397, nxpk= 20, iat=1980, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1984,1985,
&end
#
# 149 ARG HN 148 LEU HB- 6.00 (# 398:20 Unique 2.46, 3.01 A)
&rst
ixpk= 398, nxpk= 20, iat=1999, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1984,1985,
&end
#
# 38 LEU HN 38 LEU HB+ 3.50 (# 399:20 Unique 2.37, 3.04 A)
&rst
ixpk= 399, nxpk= 20, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 202, 203,
&end
#
# 38 LEU HN 38 LEU HB- 3.50 (# 403:20 Unique 2.37, 3.04 A)
&rst
ixpk= 403, nxpk= 20, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 202, 203,
&end
#
# 148 LEU HN 148 LEU HB+ 4.50 (# 404:20 Unique 2.32, 3.01 A)
&rst
ixpk= 404, nxpk= 20, iat=1980, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1984,1985,
&end
#
# 80 ILE HN 80 ILE HB 4.50 (# 405:20 Unique 2.48, 2.68 A)
&rst
ixpk= 405, nxpk= 20, iat= 881, 885, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:406 80 ILE HB 6.00 (# 406:20 Single Ambig)
&rst
ixpk= 406, nxpk= 20, iat= -1, 885, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 883, 701,
&end
#
# 116 ILE HN 116 ILE HB 6.00 (# 407:20 Unique 2.55, 3.22 A)
&rst
ixpk= 407, nxpk= 20, iat=1492,1496, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 116 ILE HA 116 ILE HB 8.00 (# 408:20 Unique 2.41, 2.81 A)
&rst
ixpk= 408, nxpk= 20, iat=1494,1496, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 104 LEU HN 104 LEU HB+ 6.00 (# 409:20 Unique 2.23, 2.99 A)
&rst
ixpk= 409, nxpk= 20, iat=1273, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1277,1278,
&end
#
# 72 ILE HN 72 ILE HB 4.50 (# 410:20 Unique 2.48, 2.56 A)
&rst
ixpk= 410, nxpk= 20, iat= 747, 751, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 73 ASN HN 72 ILE HB 4.50 (# 411:20 Unique 2.29, 2.58 A)
&rst
ixpk= 411, nxpk= 20, iat= 766, 751, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 118 ILE HN 118 ILE HB 4.50 (# 412:20 Unique 2.57, 3.11 A)
&rst
ixpk= 412, nxpk= 20, iat=1532,1536, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 119 SER HN 118 ILE HB 6.00 (# 413:20 Unique 3.15, 4.04 A)
&rst
ixpk= 413, nxpk= 20, iat=1551,1536, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 151 ILE HN 151 ILE HB 3.50 (# 414:20 Unique 2.45, 2.51 A)
&rst
ixpk= 414, nxpk= 20, iat=2038,2042, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 152 VAL HN 151 ILE HB 4.50 (# 415:20 Unique 2.43, 2.61 A)
&rst
ixpk= 415, nxpk= 20, iat=2057,2042, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 47 ILE HN 47 ILE HB 4.50 (# 416:20 Unique 2.29, 2.37 A)
&rst
ixpk= 416, nxpk= 20, iat= 357, 361, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 133 ILE HN 133 ILE HB 6.00 (# 417:20 Unique 3.66, 3.70 A)
&rst
ixpk= 417, nxpk= 20, iat=1754,1758, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 33 MET HN 32 ILE HB 4.50 (# 418:20 Unique 4.05, 4.29 A)
&rst
ixpk= 418, nxpk= 20, iat= 119, 104, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 130 ASN HN 129 ILE HB 4.50 (# 419:20 Unique 2.44, 2.63 A)
&rst
ixpk= 419, nxpk= 20, iat=1701,1686, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 129 ILE HN 129 ILE HB 4.50 (# 420:20 Unique 2.38, 2.62 A)
&rst
ixpk= 420, nxpk= 20, iat=1682,1686, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 ILE HN 32 ILE HB 3.50 (# 421:20 Unique 2.40, 2.86 A)
&rst
ixpk= 421, nxpk= 20, iat= 100, 104, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 ILE HN 96 ILE HB 4.50 (# 422:20 Unique 2.28, 2.37 A)
&rst
ixpk= 422, nxpk= 20, iat=1136,1140, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 97 GLY HN 96 ILE HB 6.00 (# 423:20 Unique 2.47, 2.58 A)
&rst
ixpk= 423, nxpk= 20, iat=1155,1140, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 60 GLU HN 60 GLU HG+ 4.50 (# 424:20 Unique 2.86, 3.10 A)
&rst
ixpk= 424, nxpk= 20, iat= 573, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 580, 581,
&end
#
# 60 GLU HN 60 GLU HG- 4.50 (# 425:20 Unique 2.86, 3.10 A)
&rst
ixpk= 425, nxpk= 20, iat= 573, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 580, 581,
&end
#
# 68 GLU HN 68 GLU HG+ 8.00 (# 426:20 Unique 3.27, 4.52 A)
&rst
ixpk= 426, nxpk= 20, iat= 684, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 691, 692,
&end
#
# 51 GLU HN 51 GLU HG+ 4.50 (# 427:20 Unique 2.96, 4.19 A)
&rst
ixpk= 427, nxpk= 20, iat= 426, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 433, 434,
&end
#
# 72 ILE HN 71 GLU HG- 6.00 (# 428:20 Unique 2.55, 3.37 A)
&rst
ixpk= 428, nxpk= 20, iat= 747, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 739, 740,
&end
#
# 73 ASN HN 71 GLU HG+ 6.00 (# 430:20 Unique 2.40, 3.49 A)
&rst
ixpk= 430, nxpk= 20, iat= 766, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 739, 740,
&end
#
# 0 AMB 20-2:431 0 AMB 20-1:431 3.50 (# 431:20 Double Ambig)
&rst
ixpk= 431, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 136,1821,
igr2= 143, 144,1828,1829,
&end
#
# 76 GLU HN 0 AMB 20-1:432 4.50 (# 432:20 Single Ambig)
&rst
ixpk= 432, nxpk= 20, iat= 810, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 817, 818, 802, 803,
&end
#
# 0 AMB 20-2:433 0 AMB 20-1:433 4.50 (# 433:20 Double Ambig)
&rst
ixpk= 433, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 699, 426,
igr2= 691, 692, 433, 434,
&end
#
# 0 AMB 20-2:434 0 AMB 20-1:434 4.50 (# 434:20 Double Ambig)
&rst
ixpk= 434, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 825, 766,
igr2= 817, 818, 739, 740,
&end
#
# 76 GLU HN 0 AMB 20-1:435 4.50 (# 435:20 Single Ambig)
&rst
ixpk= 435, nxpk= 20, iat= 810, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 817, 818, 739, 740,
&end
#
# 41 TYR HD 64 GLU HG+ 6.00 (# 436:20 Unique 2.72, 5.02 A)
&rst
ixpk= 436, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 256, 265,
igr2= 638, 639,
&end
#
# 51 GLU HN 51 GLU HG+ 6.00 (# 437:20 Unique 2.96, 4.19 A)
&rst
ixpk= 437, nxpk= 20, iat= 426, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 433, 434,
&end
#
# 64 GLU HN 64 GLU HG+ 6.00 (# 438:20 Unique 2.17, 3.63 A)
&rst
ixpk= 438, nxpk= 20, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 638, 639,
&end
#
# 41 TYR HD 64 GLU HG- 8.00 (# 439:20 Unique 2.72, 5.02 A)
&rst
ixpk= 439, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 256, 265,
igr2= 638, 639,
&end
#
# 64 GLU HN 64 GLU HG- 4.50 (# 440:20 Unique 2.17, 3.63 A)
&rst
ixpk= 440, nxpk= 20, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 638, 639,
&end
#
# 144 GLU HN 144 GLU HG+ 4.50 (# 441:20 Unique 2.54, 4.04 A)
&rst
ixpk= 441, nxpk= 20, iat=1923, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1930,1931,
&end
#
# 0 AMB 20-2:442 0 AMB 20-1:442 4.50 (# 442:20 Double Ambig)
&rst
ixpk= 442, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=2023, 775, 776, 775, 776,
igr2=2030,2031, 787, 788, 787, 788,
&end
#
# 40 VAL HN 39 GLU HG- 6.00 (# 443:20 Unique 4.53, 4.83 A)
&rst
ixpk= 443, nxpk= 20, iat= 232, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 224, 225,
&end
#
# 39 GLU HN 39 GLU HG- 3.50 (# 444:20 Unique 2.36, 2.98 A)
&rst
ixpk= 444, nxpk= 20, iat= 217, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 224, 225,
&end
#
# 158 GLU HN 158 GLU HG+ 3.50 (# 445:20 Unique 2.05, 3.08 A)
&rst
ixpk= 445, nxpk= 20, iat=2151, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2158,2159,
&end
#
# 0 AMB 20-2:446 0 AMB 20-1:446 6.00 (# 446:20 Double Ambig)
&rst
ixpk= 446, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1477, 865,
igr2=1484,1485,1484,1485,
&end
#
# 63 SER HN 62 VAL HB 4.50 (# 448:20 Unique 2.41, 3.34 A)
&rst
ixpk= 448, nxpk= 20, iat= 620, 608, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 VAL HA 62 VAL HB 4.50 (# 449:20 Unique 2.40, 2.66 A)
&rst
ixpk= 449, nxpk= 20, iat= 606, 608, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 TYR HE 62 VAL HB 6.00 (# 450:20 Unique 2.35, 5.91 A)
&rst
ixpk= 450, nxpk= 20, iat= -1, 608, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 258, 263,
&end
#
# 114 LEU HN 113 LYS HB+ 6.00 (# 451:20 Unique 2.82, 4.05 A)
&rst
ixpk= 451, nxpk= 20, iat=1458, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1440,1441,
&end
#
# 113 LYS HN 113 LYS HB+ 6.00 (# 452:20 Unique 2.30, 2.77 A)
&rst
ixpk= 452, nxpk= 20, iat=1436, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1440,1441,
&end
#
# 114 LEU HN 113 LYS HB- 6.00 (# 453:20 Unique 2.82, 4.05 A)
&rst
ixpk= 453, nxpk= 20, iat=1458, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1440,1441,
&end
#
# 113 LYS HN 113 LYS HB- 4.50 (# 454:20 Unique 2.30, 2.77 A)
&rst
ixpk= 454, nxpk= 20, iat=1436, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1440,1441,
&end
#
# 67 VAL HN 67 VAL HB 4.50 (# 455:20 Unique 2.51, 2.62 A)
&rst
ixpk= 455, nxpk= 20, iat= 668, 672, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 VAL HN 69 VAL HB 4.50 (# 456:20 Unique 2.86, 3.16 A)
&rst
ixpk= 456, nxpk= 20, iat= 699, 703, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 VAL HN 0 AMB 20-1:457 4.50 (# 457:20 Single Ambig)
&rst
ixpk= 457, nxpk= 20, iat= 699, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 688, 689, 688, 689,
&end
#
# 80 ILE HN 0 AMB 20-1:458 6.00 (# 458:20 Single Ambig)
&rst
ixpk= 458, nxpk= 20, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2= 688, 689, 688, 689,
&end
#
# 68 GLU HN 0 AMB 20-1:459 4.50 (# 459:20 Single Ambig)
&rst
ixpk= 459, nxpk= 20, iat= 684, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 688, 689, 688, 689,
&end
#
# 0 AMB 20-2:460 79 VAL HB 3.50 (# 460:20 Single Ambig)
&rst
ixpk= 460, nxpk= 20, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 865,1477,
&end
#
# 114 LEU HA 79 VAL HB 6.00 (# 461:20 Unique 2.24, 2.48 A)
&rst
ixpk= 461, nxpk= 20, iat=1460, 869, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 51 GLU HN 51 GLU HB- 4.50 (# 462:20 Unique 2.43, 2.97 A)
&rst
ixpk= 462, nxpk= 20, iat= 426, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 430, 431,
&end
#
# 62 VAL HN 61 VAL HB 6.00 (# 463:20 Unique 2.61, 3.02 A)
&rst
ixpk= 463, nxpk= 20, iat= 604, 592, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 52 LYS HN 0 AMB 20-1:464 4.50 (# 464:20 Single Ambig)
&rst
ixpk= 464, nxpk= 20, iat= 441, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 445, 446, 430, 431,
&end
#
# 0 AMB 20-2:465 0 AMB 20-1:465 4.50 (# 465:20 Double Ambig)
&rst
ixpk= 465, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 825, 766,
igr2= 814, 815, 814, 815,
&end
#
# 76 GLU HN 76 GLU HB+ 4.50 (# 466:20 Unique 2.58, 3.33 A)
&rst
ixpk= 466, nxpk= 20, iat= 810, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 814, 815,
&end
#
# 52 LYS HN 52 LYS HB- 6.00 (# 467:20 Unique 2.26, 3.08 A)
&rst
ixpk= 467, nxpk= 20, iat= 441, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 445, 446,
&end
#
# 76 GLU HN 76 GLU HB- 4.50 (# 468:20 Unique 2.58, 3.33 A)
&rst
ixpk= 468, nxpk= 20, iat= 810, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 814, 815,
&end
#
# 0 AMB 20-2:469 76 GLU HB- 6.00 (# 469:20 Single Ambig)
&rst
ixpk= 469, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 825, 766,
igr2= 814, 815,
&end
#
# 70 GLN HA 70 GLN HG- 6.00 (# 470:20 Unique 2.49, 2.96 A)
&rst
ixpk= 470, nxpk= 20, iat= 717, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 722, 723,
&end
#
# 70 GLN HE2+ 70 GLN HG- 4.50 (# 471:20 Unique 2.35, 3.27 A)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 727, 728,
igr2= 722, 723,
&end
#
# 70 GLN HE2- 70 GLN HG- 6.00 (# 472:20 Unique 2.35, 3.27 A)
&rst
ixpk= 472, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 727, 728,
igr2= 722, 723,
&end
#
# 103 LYS HN 0 AMB 20-1:473 4.50 (# 473:20 Single Ambig)
&rst
ixpk= 473, nxpk= 20, iat=1251, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1255,1256,1255,1256,
&end
#
# 61 VAL HN 61 VAL HB 4.50 (# 474:20 Unique 2.21, 2.52 A)
&rst
ixpk= 474, nxpk= 20, iat= 588, 592, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 GLU HN 50 PRO HB- 6.00 (# 475:20 Unique 2.93, 3.71 A)
&rst
ixpk= 475, nxpk= 20, iat= 426, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 419, 420,
&end
#
# 111 LYS HN 111 LYS HB+ 4.50 (# 476:20 Unique 2.26, 3.01 A)
&rst
ixpk= 476, nxpk= 20, iat=1397, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1401,1402,
&end
#
# 136 LYS HN 136 LYS HB+ 6.00 (# 477:20 Unique 2.32, 2.67 A)
&rst
ixpk= 477, nxpk= 20, iat=1799, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1803,1804,
&end
#
# 136 LYS HN 136 LYS HB- 4.50 (# 478:20 Unique 2.32, 2.67 A)
&rst
ixpk= 478, nxpk= 20, iat=1799, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1803,1804,
&end
#
# 70 GLN HA 70 GLN HB- 6.00 (# 480:20 Unique 2.41, 2.75 A)
&rst
ixpk= 480, nxpk= 20, iat= 717, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 719, 720,
&end
#
# 0 AMB 20-2:481 36 LYS HB- 6.00 (# 481:20 Single Ambig)
&rst
ixpk= 481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 166, 188,
igr2= 170, 171,
&end
#
# 87 VAL HN 85 PRO HB- 6.00 (# 482:20 Unique 2.46, 3.68 A)
&rst
ixpk= 482, nxpk= 20, iat=1005, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 984, 985,
&end
#
# 152 VAL HN 152 VAL HB 3.50 (# 483:20 Unique 2.39, 2.47 A)
&rst
ixpk= 483, nxpk= 20, iat=2057,2061, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 153 GLU HN 152 VAL HB 4.50 (# 484:20 Unique 2.56, 2.79 A)
&rst
ixpk= 484, nxpk= 20, iat=2073,2061, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 111 LYS HN 111 LYS HB- 4.50 (# 485:20 Unique 2.26, 3.01 A)
&rst
ixpk= 485, nxpk= 20, iat=1397, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1401,1402,
&end
#
# 137 GLU HN 136 LYS HB- 4.50 (# 486:20 Unique 2.55, 3.59 A)
&rst
ixpk= 486, nxpk= 20, iat=1821, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1803,1804,
&end
#
# 37 ALA HN 36 LYS HB+ 4.50 (# 487:20 Unique 2.57, 3.27 A)
&rst
ixpk= 487, nxpk= 20, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 170, 171,
&end
#
# 160 ASP HN 159 PRO HB+ 4.50 (# 488:20 Unique 2.33, 3.22 A)
&rst
ixpk= 488, nxpk= 20, iat=2180, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2173,2174,
&end
#
# 140 ALA HN 139 VAL HB 2.80 (# 489:20 Unique 2.65, 2.75 A)
&rst
ixpk= 489, nxpk= 20, iat=1876,1864, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 139 VAL HN 139 VAL HB 2.80 (# 490:20 Unique 2.35, 2.44 A)
&rst
ixpk= 490, nxpk= 20, iat=1860,1864, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 103 LYS HN 102 VAL HB 4.50 (# 491:20 Unique 2.76, 2.91 A)
&rst
ixpk= 491, nxpk= 20, iat=1251,1239, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 102 VAL HN 102 VAL HB 3.50 (# 492:20 Unique 2.36, 2.41 A)
&rst
ixpk= 492, nxpk= 20, iat=1235,1239, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 MET HN 33 MET HB- 6.00 (# 493:20 Unique 2.23, 3.10 A)
&rst
ixpk= 493, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 123, 124,
&end
#
# 48 ARG HN 48 ARG HB+ 3.50 (# 494:20 Unique 2.22, 2.77 A)
&rst
ixpk= 494, nxpk= 20, iat= 376, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 380, 381,
&end
#
# 71 GLU HN 71 GLU HB+ 4.50 (# 496:20 Unique 2.32, 2.68 A)
&rst
ixpk= 496, nxpk= 20, iat= 732, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 736, 737,
&end
#
# 71 GLU HN 71 GLU HB- 4.50 (# 497:20 Unique 2.32, 2.68 A)
&rst
ixpk= 497, nxpk= 20, iat= 732, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 736, 737,
&end
#
# 48 ARG HN 48 ARG HB- 4.50 (# 498:20 Unique 2.22, 2.77 A)
&rst
ixpk= 498, nxpk= 20, iat= 376, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 380, 381,
&end
#
# 75 GLU HN 75 GLU HB+ 6.00 (# 500:20 Unique 2.37, 3.06 A)
&rst
ixpk= 500, nxpk= 20, iat= 795, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 799, 800,
&end
#
# 0 AMB 20-2:502 0 AMB 20-1:502 3.50 (# 502:20 Double Ambig)
&rst
ixpk= 502, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 491,1562,
igr2= 543, 544,1566,1567,
&end
#
# 0 AMB 20-2:503 0 AMB 20-1:503 6.00 (# 503:20 Double Ambig)
&rst
ixpk= 503, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=2260,2209,
igr2=2232,2233,2232,2233,2232,2233,
&end
#
# 163 GLU HN 0 AMB 20-1:504 3.50 (# 504:20 Single Ambig)
&rst
ixpk= 504, nxpk= 20, iat=2228, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=2232,2233,2232,2233,
&end
#
# 102 VAL HN 0 AMB 20-1:505 6.00 (# 505:20 Single Ambig)
&rst
ixpk= 505, nxpk= 20, iat=1235, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1215,1216,1215,1216,
&end
#
# 101 ARG HN 0 AMB 20-1:506 4.50 (# 506:20 Single Ambig)
&rst
ixpk= 506, nxpk= 20, iat=1211, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1215,1216,1215,1216,
&end
#
# 144 GLU HN 144 GLU HB+ 3.50 (# 507:20 Unique 2.29, 2.67 A)
&rst
ixpk= 507, nxpk= 20, iat=1923, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1927,1928,
&end
#
# 144 GLU HN 144 GLU HB- 3.50 (# 508:20 Unique 2.29, 2.67 A)
&rst
ixpk= 508, nxpk= 20, iat=1923, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1927,1928,
&end
#
# 0 AMB 20-2:509 0 AMB 20-1:509 3.50 (# 509:20 Double Ambig)
&rst
ixpk= 509, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1836, 539,
igr2=1840,1841, 543, 544,
&end
#
# 120 GLU HN 120 GLU HB- 3.50 (# 510:20 Unique 2.31, 3.38 A)
&rst
ixpk= 510, nxpk= 20, iat=1562, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1566,1567,
&end
#
# 39 GLU HN 39 GLU HB+ 3.50 (# 511:20 Unique 2.37, 3.04 A)
&rst
ixpk= 511, nxpk= 20, iat= 217, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 221, 222,
&end
#
# 0 AMB 20-2:512 0 AMB 20-1:512 2.80 (# 512:20 Double Ambig)
&rst
ixpk= 512, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1836,1640,
igr2=1840,1841,1644,1645,
&end
#
# 0 AMB 20-2:513 0 AMB 20-1:513 6.00 (# 513:20 Double Ambig)
&rst
ixpk= 513, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1670,1584,
igr2=1659,1660,1659,1660,1644,1645,
&end
#
# 0 AMB 20-2:514 0 AMB 20-1:514 2.80 (# 514:20 Double Ambig)
&rst
ixpk= 514, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1655,1860,
igr2=1644,1645,1659,1660,1659,1660,1840,1841,
&end
#
# 150 GLU HN 150 GLU HB- 2.80 (# 515:20 Unique 2.28, 2.78 A)
&rst
ixpk= 515, nxpk= 20, iat=2023, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2027,2028,
&end
#
# 151 ILE HN 150 GLU HB- 4.50 (# 516:20 Unique 2.47, 3.24 A)
&rst
ixpk= 516, nxpk= 20, iat=2038, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2027,2028,
&end
#
# 161 GLN HN 161 GLN HB+ 6.00 (# 517:20 Unique 2.28, 3.14 A)
&rst
ixpk= 517, nxpk= 20, iat=2192, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2196,2197,
&end
#
# 137 GLU HN 137 GLU HB- 3.50 (# 518:20 Unique 2.41, 2.98 A)
&rst
ixpk= 518, nxpk= 20, iat=1821, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1825,1826,
&end
#
# 158 GLU HN 158 GLU HB+ 2.80 (# 519:20 Unique 2.25, 3.13 A)
&rst
ixpk= 519, nxpk= 20, iat=2151, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2155,2156,
&end
#
# 150 GLU HN 150 GLU HB+ 2.80 (# 520:20 Unique 2.28, 2.78 A)
&rst
ixpk= 520, nxpk= 20, iat=2023, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2027,2028,
&end
#
# 151 ILE HN 150 GLU HB+ 6.00 (# 521:20 Unique 2.47, 3.24 A)
&rst
ixpk= 521, nxpk= 20, iat=2038, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2027,2028,
&end
#
# 161 GLN HN 161 GLN HB- 4.50 (# 522:20 Unique 2.28, 3.14 A)
&rst
ixpk= 522, nxpk= 20, iat=2192, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2196,2197,
&end
#
# 158 GLU HN 158 GLU HB- 3.50 (# 523:20 Unique 2.25, 3.13 A)
&rst
ixpk= 523, nxpk= 20, iat=2151, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2155,2156,
&end
#
# 0 AMB 20-2:524 0 AMB 20-1:524 6.00 (# 524:20 Double Ambig)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1737,1715,
igr2=1725,1726,1725,1726,1725,1726,
&end
#
# 96 ILE HN 96 ILE HG1- 4.50 (# 525:20 Unique 2.24, 3.03 A)
&rst
ixpk= 525, nxpk= 20, iat=1136, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1146,1147,
&end
#
# 137 GLU HN 137 GLU HB+ 3.50 (# 526:20 Unique 2.41, 2.98 A)
&rst
ixpk= 526, nxpk= 20, iat=1821, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1825,1826,
&end
#
# 74 GLU HN 0 AMB 20-1:528 3.50 (# 528:20 Single Ambig)
&rst
ixpk= 528, nxpk= 20, iat= 780, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 784, 785, 784, 785,
&end
#
# 64 GLU HN 64 GLU HB- 4.50 (# 529:20 Unique 2.29, 2.83 A)
&rst
ixpk= 529, nxpk= 20, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 635, 636,
&end
#
# 64 GLU HN 64 GLU HB+ 4.50 (# 530:20 Unique 2.29, 2.83 A)
&rst
ixpk= 530, nxpk= 20, iat= 631, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 635, 636,
&end
#
# 65 SER HN 64 GLU HB+ 6.00 (# 531:20 Unique 2.37, 3.30 A)
&rst
ixpk= 531, nxpk= 20, iat= 646, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 635, 636,
&end
#
# 132 GLN HN 132 GLN HB+ 2.80 (# 532:20 Unique 2.14, 2.99 A)
&rst
ixpk= 532, nxpk= 20, iat=1737, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1741,1742,
&end
#
# 156 VAL HN 153 GLU HB- 6.00 (# 533:20 Unique 5.05, 5.54 A)
&rst
ixpk= 533, nxpk= 20, iat=2116, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2077,2078,
&end
#
# 154 GLN HN 154 GLN HB+ 3.50 (# 534:20 Unique 2.10, 2.96 A)
&rst
ixpk= 534, nxpk= 20, iat=2088, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2092,2093,
&end
#
# 155 CYS HN 154 GLN HB- 4.50 (# 535:20 Unique 2.78, 3.31 A)
&rst
ixpk= 535, nxpk= 20, iat=2105, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2092,2093,
&end
#
# 154 GLN HN 154 GLN HB- 3.50 (# 536:20 Unique 2.10, 2.96 A)
&rst
ixpk= 536, nxpk= 20, iat=2088, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2092,2093,
&end
#
# 154 GLN HN 153 GLU HB- 6.00 (# 537:20 Unique 2.38, 3.07 A)
&rst
ixpk= 537, nxpk= 20, iat=2088, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2077,2078,
&end
#
# 82 ARG HN 82 ARG HG+ 6.00 (# 538:20 Unique 2.14, 3.76 A)
&rst
ixpk= 538, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 926, 927,
&end
#
# 129 ILE HN 129 ILE HG1- 4.50 (# 539:20 Unique 2.02, 2.96 A)
&rst
ixpk= 539, nxpk= 20, iat=1682, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1692,1693,
&end
#
# 129 ILE HN 129 ILE HG1+ 6.00 (# 540:20 Unique 2.02, 2.96 A)
&rst
ixpk= 540, nxpk= 20, iat=1682, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1692,1693,
&end
#
# 155 CYS HN 154 GLN HB+ 6.00 (# 541:20 Unique 2.78, 3.31 A)
&rst
ixpk= 541, nxpk= 20, iat=2105, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2092,2093,
&end
#
# 153 GLU HN 153 GLU HB+ 6.00 (# 542:20 Unique 2.34, 2.99 A)
&rst
ixpk= 542, nxpk= 20, iat=2073, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2077,2078,
&end
#
# 151 ILE HN 151 ILE HG1- 4.50 (# 543:20 Unique 2.21, 3.00 A)
&rst
ixpk= 543, nxpk= 20, iat=2038, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2048,2049,
&end
#
# 117 TYR HD 82 ARG HG- 6.00 (# 544:20 Unique 2.38, 5.85 A)
&rst
ixpk= 544, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1519,1528,
igr2= 926, 927,
&end
#
# 82 ARG HA 82 ARG HG- 6.00 (# 545:20 Unique 2.42, 3.07 A)
&rst
ixpk= 545, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 926, 927,
&end
#
# 151 ILE HN 151 ILE HG1+ 4.50 (# 546:20 Unique 2.21, 3.00 A)
&rst
ixpk= 546, nxpk= 20, iat=2038, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2048,2049,
&end
#
# 105 GLN HN 105 GLN HB+ 4.50 (# 547:20 Unique 2.24, 2.44 A)
&rst
ixpk= 547, nxpk= 20, iat=1292, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1296,1297,
&end
#
# 106 ARG HN 105 GLN HB+ 4.50 (# 548:20 Unique 2.64, 3.44 A)
&rst
ixpk= 548, nxpk= 20, iat=1309, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1296,1297,
&end
#
# 105 GLN HN 105 GLN HB- 4.50 (# 549:20 Unique 2.24, 2.44 A)
&rst
ixpk= 549, nxpk= 20, iat=1292, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1296,1297,
&end
#
# 106 ARG HN 105 GLN HB- 4.50 (# 550:20 Unique 2.64, 3.44 A)
&rst
ixpk= 550, nxpk= 20, iat=1309, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1296,1297,
&end
#
# 32 ILE HN 32 ILE HG1- 4.50 (# 551:20 Unique 2.24, 3.72 A)
&rst
ixpk= 551, nxpk= 20, iat= 100, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 110, 111,
&end
#
# 32 ILE HN 32 ILE HG1+ 6.00 (# 552:20 Unique 2.24, 3.72 A)
&rst
ixpk= 552, nxpk= 20, iat= 100, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 110, 111,
&end
#
# 106 ARG HN 106 ARG HG- 4.50 (# 553:20 Unique 2.52, 3.29 A)
&rst
ixpk= 553, nxpk= 20, iat=1309, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1316,1317,
&end
#
# 135 ASP HN 138 ARG HG+ 6.00 (# 554:20 Unique 4.32, 5.24 A)
&rst
ixpk= 554, nxpk= 20, iat=1787, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1843,1844,
&end
#
# 49 ASP HN 48 ARG HG- 6.00 (# 555:20 Unique 2.13, 3.55 A)
&rst
ixpk= 555, nxpk= 20, iat= 400, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 383, 384,
&end
#
# 106 ARG HN 106 ARG HG+ 4.50 (# 556:20 Unique 2.52, 3.29 A)
&rst
ixpk= 556, nxpk= 20, iat=1309, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1316,1317,
&end
#
# 95 LEU HN 95 LEU HG 4.50 (# 557:20 Unique 2.17, 3.60 A)
&rst
ixpk= 557, nxpk= 20, iat=1117,1124, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 ILE HA 81 ILE HG1- 6.00 (# 558:20 Unique 2.40, 3.27 A)
&rst
ixpk= 558, nxpk= 20, iat= 902, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 910, 911,
&end
#
# 80 ILE HN 80 ILE HG1- 4.50 (# 559:20 Unique 2.65, 3.37 A)
&rst
ixpk= 559, nxpk= 20, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 891, 892,
&end
#
# 0 AMB 20-2:560 80 ILE HG1- 6.00 (# 560:20 Single Ambig)
&rst
ixpk= 560, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 883, 701,
igr2= 891, 892,
&end
#
# 80 ILE HN 78 LEU HG 6.00 (# 561:20 Preassigned 4.25, 4.65 A)
&rst
ixpk= 561, nxpk= 20, iat= 881, 853, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 80 ILE HN 0 AMB 20-1:562 6.00 (# 562:20 Single Ambig)
&rst
ixpk= 562, nxpk= 20, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2= 891, 892, 910, 911,
&end
#
# 81 ILE HA 81 ILE HG1+ 6.00 (# 563:20 Unique 2.40, 3.27 A)
&rst
ixpk= 563, nxpk= 20, iat= 902, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 910, 911,
&end
#
# 0 AMB 20-2:564 0 AMB 20-1:564 6.00 (# 564:20 Double Ambig)
&rst
ixpk= 564, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 883, 701,
igr2= 891, 892, 891, 892,
&end
#
# 145 ASN HA 0 AMB 20-1:565 4.50 (# 565:20 Single Ambig)
&rst
ixpk= 565, nxpk= 20, iat=1940, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1956,1957,1956,1957,
&end
#
# 147 ASN HN 0 AMB 20-1:566 4.50 (# 566:20 Single Ambig)
&rst
ixpk= 566, nxpk= 20, iat=1966, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1956,1957,1956,1957,
&end
#
# 48 ARG HN 48 ARG HG- 4.50 (# 568:20 Unique 2.25, 3.94 A)
&rst
ixpk= 568, nxpk= 20, iat= 376, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 383, 384,
&end
#
# 138 ARG HN 138 ARG HG+ 4.50 (# 569:20 Unique 2.22, 3.20 A)
&rst
ixpk= 569, nxpk= 20, iat=1836, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1843,1844,
&end
#
# 138 ARG HN 138 ARG HG- 4.50 (# 570:20 Unique 2.22, 3.20 A)
&rst
ixpk= 570, nxpk= 20, iat=1836, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1843,1844,
&end
#
# 149 ARG HN 0 AMB 20-1:571 4.50 (# 571:20 Single Ambig)
&rst
ixpk= 571, nxpk= 20, iat=1999, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=2006,2007,2006,2007,
&end
#
# 148 LEU HN 148 LEU HG 4.50 (# 572:20 Unique 2.26, 2.50 A)
&rst
ixpk= 572, nxpk= 20, iat=1980,1987, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 LEU HA 0 AMB 20-1:573 4.50 (# 573:20 Single Ambig)
&rst
ixpk= 573, nxpk= 20, iat= 848, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 853, 757, 758,
&end
#
# 114 LEU HA 114 LEU HG 6.00 (# 574:20 Unique 3.24, 3.57 A)
&rst
ixpk= 574, nxpk= 20, iat=1460,1465, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 110 PHE HD 109 PRO HG+ 8.00 (# 575:20 Unique 2.41, 5.24 A)
&rst
ixpk= 575, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=1385,1393,
igr2=1367,1368,
&end
#
# 72 ILE HN 72 ILE HG1- 4.50 (# 576:20 Unique 2.30, 3.32 A)
&rst
ixpk= 576, nxpk= 20, iat= 747, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 757, 758,
&end
#
# 72 ILE HN 72 ILE HG1+ 4.50 (# 577:20 Unique 2.30, 3.32 A)
&rst
ixpk= 577, nxpk= 20, iat= 747, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 757, 758,
&end
#
# 78 LEU HN 72 ILE HG1+ 6.00 (# 578:20 Unique 2.43, 3.39 A)
&rst
ixpk= 578, nxpk= 20, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 757, 758,
&end
#
# 59 LEU HN 59 LEU HG 6.00 (# 579:20 Unique 2.77, 4.04 A)
&rst
ixpk= 579, nxpk= 20, iat= 554, 561, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 38 LEU HN 38 LEU HG 3.50 (# 581:20 Unique 2.21, 2.37 A)
&rst
ixpk= 581, nxpk= 20, iat= 198, 205, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 162 LEU HN 162 LEU HG 4.50 (# 582:20 Unique 2.22, 2.87 A)
&rst
ixpk= 582, nxpk= 20, iat=2209,2216, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 43 LEU HN 43 LEU HG 6.00 (# 583:20 Unique 4.23, 4.48 A)
&rst
ixpk= 583, nxpk= 20, iat= 281, 288, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 83 PHE HD 100 LEU MDY 6.00 (# 584:20 Unique 2.49, 5.43 A)
&rst
ixpk= 584, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 951, 959,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 108 LEU HN 108 LEU HG 6.00 (# 585:20 Unique 2.48, 3.38 A)
&rst
ixpk= 585, nxpk= 20, iat=1344,1351, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:586 104 LEU MDX 4.50 (# 586:20 Single Ambig)
&rst
ixpk= 586, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1273,1211,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 100 LEU HN 100 LEU MDY 6.00 (# 587:20 Unique 2.27, 4.58 A)
&rst
ixpk= 587, nxpk= 20, iat=1192, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 157 LEU HN 157 LEU HG 4.50 (# 588:20 Unique 2.67, 2.78 A)
&rst
ixpk= 588, nxpk= 20, iat=2132,2139, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 80 ILE HN 78 LEU MDX 6.00 (# 589:20 Unique 5.30, 6.69 A)
&rst
ixpk= 589, nxpk= 20, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 78 LEU HA 78 LEU MDX 4.50 (# 590:20 Unique 2.23, 3.89 A)
&rst
ixpk= 590, nxpk= 20, iat= 848, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 78 LEU HN 78 LEU MDX 6.00 (# 591:20 Unique 4.75, 5.34 A)
&rst
ixpk= 591, nxpk= 20, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 45 ARG HN 45 ARG HG+ 4.50 (# 592:20 Unique 2.15, 3.34 A)
&rst
ixpk= 592, nxpk= 20, iat= 319, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 326, 327,
&end
#
# 98 LEU HN 98 LEU MDY 6.00 (# 593:20 Unique 2.77, 4.52 A)
&rst
ixpk= 593, nxpk= 20, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1171,1172,1173,1175,1176,1177,
&end
#
# 143 MET HN 98 LEU MDY 6.00 (# 594:20 Unique 3.94, 6.02 A)
&rst
ixpk= 594, nxpk= 20, iat=1906, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1171,1172,1173,1175,1176,1177,
&end
#
# 111 LYS HN 111 LYS HG+ 6.00 (# 595:20 Unique 2.00, 3.21 A)
&rst
ixpk= 595, nxpk= 20, iat=1397, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1404,1405,
&end
#
# 133 ILE HN 133 ILE HG1- 4.50 (# 596:20 Preassigned 2.13, 2.88 A)
&rst
ixpk= 596, nxpk= 20, iat=1754, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1764,1765,
&end
#
# 148 LEU HN 148 LEU MDX 4.50 (# 597:20 Unique 2.26, 4.36 A)
&rst
ixpk= 597, nxpk= 20, iat=1980, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 0 AMB 20-2:598 0 AMB 20-1:598 4.50 (# 598:20 Double Ambig)
&rst
ixpk= 598, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1715,1737,
igr2=1722,1723,1722,1723,
&end
#
# 112 HIS HN 0 AMB 20-1:599 6.00 (# 599:20 Single Ambig)
&rst
ixpk= 599, nxpk= 20, iat=1419, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1404,1405,1443,1444,
&end
#
# 131 LYS HN 131 LYS HG- 6.00 (# 600:20 Unique 2.34, 4.13 A)
&rst
ixpk= 600, nxpk= 20, iat=1715, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1722,1723,
&end
#
# 36 LYS HN 36 LYS HG- 3.50 (# 601:20 Unique 2.11, 3.02 A)
&rst
ixpk= 601, nxpk= 20, iat= 166, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 173, 174,
&end
#
# 0 AMB 20-2:602 0 AMB 20-1:602 6.00 (# 602:20 Double Ambig)
&rst
ixpk= 602, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1= 151,1999,
igr2= 173, 174,1989,1990,1991,1993,1994,1995,
&end
#
# 0 AMB 20-2:603 148 LEU MDX 4.50 (# 603:20 Single Ambig)
&rst
ixpk= 603, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1938,1117,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 152 VAL HN 95 LEU MDY 6.00 (# 604:20 Unique 3.14, 5.64 A)
&rst
ixpk= 604, nxpk= 20, iat=2057, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1126,1127,1128,1130,1131,1132,
&end
#
# 36 LYS HN 36 LYS HG+ 6.00 (# 605:20 Unique 2.11, 3.02 A)
&rst
ixpk= 605, nxpk= 20, iat= 166, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 173, 174,
&end
#
# 160 ASP HN 162 LEU MDX 6.00 (# 606:20 Unique 2.41, 6.17 A)
&rst
ixpk= 606, nxpk= 20, iat=2180, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=2218,2219,2220,2222,2223,2224,
&end
#
# 95 LEU HN 95 LEU MDX 4.50 (# 607:20 Unique 2.19, 4.36 A)
&rst
ixpk= 607, nxpk= 20, iat=1117, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1126,1127,1128,1130,1131,1132,
&end
#
# 158 GLU HN 157 LEU MDX 4.50 (# 608:20 Unique 2.52, 4.68 A)
&rst
ixpk= 608, nxpk= 20, iat=2151, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=2141,2142,2143,2145,2146,2147,
&end
#
# 162 LEU HN 162 LEU MDX 4.50 (# 609:20 Unique 1.69, 4.37 A)
&rst
ixpk= 609, nxpk= 20, iat=2209, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=2218,2219,2220,2222,2223,2224,
&end
#
# 157 LEU HN 157 LEU MDX 6.00 (# 610:20 Unique 3.64, 4.65 A)
&rst
ixpk= 610, nxpk= 20, iat=2132, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=2141,2142,2143,2145,2146,2147,
&end
#
# 136 LYS HN 136 LYS HG+ 6.00 (# 611:20 Unique 2.08, 3.88 A)
&rst
ixpk= 611, nxpk= 20, iat=1799, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1806,1807,
&end
#
# 38 LEU HN 38 LEU MDX 3.50 (# 612:20 Unique 3.45, 4.41 A)
&rst
ixpk= 612, nxpk= 20, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 0 AMB 20-2:613 0 AMB 20-1:613 4.50 (# 613:20 Double Ambig)
&rst
ixpk= 613, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1162,2228,
igr2=1171,1172,1173,1175,1176,1177,2218,2219,2220,2222,
2223,2224,
&end
#
# 115 GLU HN 114 LEU MDX 3.50 (# 614:20 Unique 2.07, 4.68 A)
&rst
ixpk= 614, nxpk= 20, iat=1477, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1467,1468,1469,1471,1472,1473,
&end
#
# 114 LEU HA 114 LEU MDX 4.50 (# 615:20 Unique 2.20, 3.69 A)
&rst
ixpk= 615, nxpk= 20, iat=1460, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1467,1468,1469,1471,1472,1473,
&end
#
# 100 LEU HN 100 LEU MDX 4.50 (# 616:20 Unique 2.27, 4.58 A)
&rst
ixpk= 616, nxpk= 20, iat=1192, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 107 CYS HN 108 LEU MDX 6.00 (# 617:20 Unique 4.25, 6.84 A)
&rst
ixpk= 617, nxpk= 20, iat=1333, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 108 LEU HN 108 LEU MDX 6.00 (# 618:20 Unique 2.71, 4.76 A)
&rst
ixpk= 618, nxpk= 20, iat=1344, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 110 PHE HD 108 LEU MDX 6.00 (# 619:20 Unique 2.32, 6.50 A)
&rst
ixpk= 619, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1385,1393,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 112 HIS HD2 108 LEU MDX 4.50 (# 620:20 Unique 2.38, 5.10 A)
&rst
ixpk= 620, nxpk= 20, iat=1432, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 110 PHE HE 108 LEU MDX 6.00 (# 621:20 Unique 2.35, 6.74 A)
&rst
ixpk= 621, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1387,1391,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 110 PHE HN 108 LEU MDX 6.00 (# 622:20 Unique 1.80, 5.63 A)
&rst
ixpk= 622, nxpk= 20, iat=1377, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 158 GLU HN 157 LEU MDY 4.50 (# 623:20 Unique 2.52, 4.68 A)
&rst
ixpk= 623, nxpk= 20, iat=2151, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=2141,2142,2143,2145,2146,2147,
&end
#
# 157 LEU HN 157 LEU MDY 4.50 (# 624:20 Unique 3.64, 4.65 A)
&rst
ixpk= 624, nxpk= 20, iat=2132, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=2141,2142,2143,2145,2146,2147,
&end
#
# 108 LEU HN 108 LEU MDY 6.00 (# 625:20 Unique 2.71, 4.76 A)
&rst
ixpk= 625, nxpk= 20, iat=1344, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 110 PHE HD 108 LEU MDY 6.00 (# 626:20 Unique 2.32, 6.50 A)
&rst
ixpk= 626, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1385,1393,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 112 HIS HD2 108 LEU MDY 4.50 (# 627:20 Unique 2.38, 5.10 A)
&rst
ixpk= 627, nxpk= 20, iat=1432, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 110 PHE HE 108 LEU MDY 4.50 (# 628:20 Unique 2.35, 6.74 A)
&rst
ixpk= 628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1387,1391,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 110 PHE HN 108 LEU MDY 6.00 (# 629:20 Unique 1.80, 5.63 A)
&rst
ixpk= 629, nxpk= 20, iat=1377, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 87 VAL HN 92 LEU MDY 6.00 (# 630:20 Unique 3.33, 6.13 A)
&rst
ixpk= 630, nxpk= 20, iat=1005, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1083,1084,1085,1087,1088,1089,
&end
#
# 0 AMB 20-2:631 104 LEU MDY 4.50 (# 631:20 Single Ambig)
&rst
ixpk= 631, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1273,1211,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 43 LEU HN 43 LEU MDY 4.50 (# 632:20 Unique 3.00, 5.00 A)
&rst
ixpk= 632, nxpk= 20, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 290, 291, 292, 294, 295, 296,
&end
#
# 87 VAL HN 86 THR MG2 6.00 (# 633:20 Unique 4.22, 4.82 A)
&rst
ixpk= 633, nxpk= 20, iat=1005, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 997, 998, 999,
&end
#
# 86 THR HN 86 THR MG2 4.50 (# 634:20 Unique 2.29, 3.25 A)
&rst
ixpk= 634, nxpk= 20, iat= 991, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 997, 998, 999,
&end
#
# 41 TYR HN 40 VAL MGY 4.50 (# 635:20 Unique 3.29, 4.60 A)
&rst
ixpk= 635, nxpk= 20, iat= 248, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 238, 239, 240, 242, 243, 244,
&end
#
# 40 VAL HN 40 VAL MGY 3.50 (# 636:20 Unique 2.41, 3.93 A)
&rst
ixpk= 636, nxpk= 20, iat= 232, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 238, 239, 240, 242, 243, 244,
&end
#
# 39 GLU HN 40 VAL MGY 6.00 (# 637:20 Unique 4.90, 6.61 A)
&rst
ixpk= 637, nxpk= 20, iat= 217, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 238, 239, 240, 242, 243, 244,
&end
#
# 102 VAL HN 102 VAL MGY 2.80 (# 639:20 Unique 2.29, 3.91 A)
&rst
ixpk= 639, nxpk= 20, iat=1235, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1241,1242,1243,1245,1246,1247,
&end
#
# 103 LYS HN 0 AMB 20-1:640 4.50 (# 640:20 Single Ambig)
&rst
ixpk= 640, nxpk= 20, iat=1251, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr2=1241,1242,1243,1245,1246,1247,2063,2064,2065,2067,
2068,2069,
&end
#
# 38 LEU HN 38 LEU MDY 3.50 (# 641:20 Unique 3.45, 4.41 A)
&rst
ixpk= 641, nxpk= 20, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 41 TYR HD 38 LEU MDY 6.00 (# 642:20 Unique 2.73, 7.62 A)
&rst
ixpk= 642, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 256, 265,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 0 AMB 20-2:643 148 LEU MDY 6.00 (# 643:20 Single Ambig)
&rst
ixpk= 643, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1=1947,1948,1896,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 148 LEU HN 148 LEU MDY 4.50 (# 644:20 Unique 2.26, 4.36 A)
&rst
ixpk= 644, nxpk= 20, iat=1980, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 153 GLU HN 152 VAL MGY 6.00 (# 645:20 Unique 3.14, 4.61 A)
&rst
ixpk= 645, nxpk= 20, iat=2073, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 152 VAL HN 152 VAL MGY 2.80 (# 646:20 Unique 2.30, 3.93 A)
&rst
ixpk= 646, nxpk= 20, iat=2057, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 151 ILE HN 152 VAL MGY 6.00 (# 647:20 Unique 4.71, 6.56 A)
&rst
ixpk= 647, nxpk= 20, iat=2038, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 84 THR HN 61 VAL MGX 4.50 (# 648:20 Unique 2.34, 4.73 A)
&rst
ixpk= 648, nxpk= 20, iat= 963, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 83 PHE HD 61 VAL MGX 3.50 (# 649:20 Unique 2.28, 6.12 A)
&rst
ixpk= 649, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 951, 959,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 83 PHE HA 61 VAL MGX 6.00 (# 650:20 Unique 3.63, 6.20 A)
&rst
ixpk= 650, nxpk= 20, iat= 945, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 140 ALA HN 139 VAL MGY 4.50 (# 651:20 Preassigned 3.36, 4.59 A)
&rst
ixpk= 651, nxpk= 20, iat=1876, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1866,1867,1868,1870,1871,1872,
&end
#
# 40 VAL HN 40 VAL MGX 4.50 (# 652:20 Unique 2.41, 3.93 A)
&rst
ixpk= 652, nxpk= 20, iat= 232, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 238, 239, 240, 242, 243, 244,
&end
#
# 78 LEU HA 78 LEU MDY 2.80 (# 654:20 Unique 2.23, 3.89 A)
&rst
ixpk= 654, nxpk= 20, iat= 848, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 61 VAL HN 61 VAL MGY 3.50 (# 655:20 Unique 2.04, 3.83 A)
&rst
ixpk= 655, nxpk= 20, iat= 588, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 62 VAL HN 61 VAL MGY 4.50 (# 656:20 Unique 3.46, 4.73 A)
&rst
ixpk= 656, nxpk= 20, iat= 604, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 46 THR HN 46 THR MG2 3.50 (# 657:20 Unique 2.39, 3.44 A)
&rst
ixpk= 657, nxpk= 20, iat= 343, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 349, 350, 351,
&end
#
# 61 VAL HN 61 VAL MGX 4.50 (# 658:20 Unique 2.04, 3.83 A)
&rst
ixpk= 658, nxpk= 20, iat= 588, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 41 TYR HD 67 VAL MGY 3.50 (# 659:20 Unique 2.37, 5.90 A)
&rst
ixpk= 659, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 256, 265,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 41 TYR HN 67 VAL MGY 4.50 (# 660:20 Unique 2.61, 4.26 A)
&rst
ixpk= 660, nxpk= 20, iat= 248, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 67 VAL HN 67 VAL MGY 3.50 (# 661:20 Unique 2.18, 4.09 A)
&rst
ixpk= 661, nxpk= 20, iat= 668, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 139 VAL HN 139 VAL MGY 3.50 (# 662:20 Unique 2.22, 3.93 A)
&rst
ixpk= 662, nxpk= 20, iat=1860, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1866,1867,1868,1870,1871,1872,
&end
#
# 78 LEU HN 69 VAL MGX 6.00 (# 663:20 Unique 3.66, 5.79 A)
&rst
ixpk= 663, nxpk= 20, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 705, 706, 707, 709, 710, 711,
&end
#
# 67 VAL HA 67 VAL MGY 3.50 (# 665:20 Unique 2.41, 3.21 A)
&rst
ixpk= 665, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 68 GLU HN 67 VAL MGY 4.50 (# 666:20 Unique 2.57, 4.12 A)
&rst
ixpk= 666, nxpk= 20, iat= 684, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 87 VAL HN 87 VAL MGY 4.50 (# 667:20 Unique 2.01, 3.81 A)
&rst
ixpk= 667, nxpk= 20, iat=1005, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:668 69 VAL MGX 4.50 (# 668:20 Single Ambig)
&rst
ixpk= 668, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1432, 835, 840,
igr2= 705, 706, 707, 709, 710, 711,
&end
#
# 77 TYR HD 69 VAL MGX 3.50 (# 669:20 Unique 2.27, 6.34 A)
&rst
ixpk= 669, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 833, 842,
igr2= 705, 706, 707, 709, 710, 711,
&end
#
# 69 VAL HA 69 VAL MGX 2.80 (# 670:20 Unique 2.47, 3.31 A)
&rst
ixpk= 670, nxpk= 20, iat= 701, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 705, 706, 707, 709, 710, 711,
&end
#
# 54 ASN HA 55 THR MG2 6.00 (# 671:20 Unique 3.43, 4.57 A)
&rst
ixpk= 671, nxpk= 20, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 497, 498, 499,
&end
#
# 0 AMB 20-2:672 55 THR MG2 2.80 (# 672:20 Single Ambig)
&rst
ixpk= 672, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 495, 493,
igr2= 497, 498, 499,
&end
#
# 56 LEU HN 55 THR MG2 4.50 (# 673:20 Unique 3.94, 4.58 A)
&rst
ixpk= 673, nxpk= 20, iat= 505, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 497, 498, 499,
&end
#
# 41 TYR HN 67 VAL MGX 4.50 (# 674:20 Unique 2.61, 4.26 A)
&rst
ixpk= 674, nxpk= 20, iat= 248, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 67 VAL HA 67 VAL MGX 3.50 (# 675:20 Unique 2.41, 3.21 A)
&rst
ixpk= 675, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 68 GLU HN 67 VAL MGX 4.50 (# 676:20 Unique 2.57, 4.12 A)
&rst
ixpk= 676, nxpk= 20, iat= 684, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 67 VAL HN 67 VAL MGX 4.50 (# 678:20 Unique 2.18, 4.09 A)
&rst
ixpk= 678, nxpk= 20, iat= 668, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 37 ALA HN 69 VAL MGX 4.50 (# 680:20 Unique 2.74, 4.61 A)
&rst
ixpk= 680, nxpk= 20, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 705, 706, 707, 709, 710, 711,
&end
#
# 123 HIS HN 125 THR MG2 6.00 (# 682:20 Unique 3.35, 6.39 A)
&rst
ixpk= 682, nxpk= 20, iat=1598, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1632,1633,1634,
&end
#
# 55 THR HN 55 THR MG2 3.50 (# 683:20 Unique 2.25, 3.26 A)
&rst
ixpk= 683, nxpk= 20, iat= 491, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 497, 498, 499,
&end
#
# 57 GLU HN 55 THR MG2 6.00 (# 684:20 Unique 4.50, 5.10 A)
&rst
ixpk= 684, nxpk= 20, iat= 524, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 497, 498, 499,
&end
#
# 103 LYS HN 156 VAL MGY 4.50 (# 685:20 Unique 2.59, 4.74 A)
&rst
ixpk= 685, nxpk= 20, iat=1251, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=2122,2123,2124,2126,2127,2128,
&end
#
# 0 AMB 20-2:686 156 VAL MGY 4.50 (# 686:20 Single Ambig)
&rst
ixpk= 686, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2105,1181,
igr2=2122,2123,2124,2126,2127,2128,
&end
#
# 156 VAL HN 156 VAL MGY 3.50 (# 687:20 Unique 2.31, 3.48 A)
&rst
ixpk= 687, nxpk= 20, iat=2116, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2122,2123,2124,2126,2127,2128,
&end
#
# 157 LEU HN 156 VAL MGY 6.00 (# 688:20 Unique 2.63, 4.43 A)
&rst
ixpk= 688, nxpk= 20, iat=2132, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=2122,2123,2124,2126,2127,2128,
&end
#
# 62 VAL HA 62 VAL MGY 3.50 (# 689:20 Unique 2.35, 3.40 A)
&rst
ixpk= 689, nxpk= 20, iat= 606, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 84 THR HN 84 THR MG2 6.00 (# 691:20 Unique 2.92, 4.46 A)
&rst
ixpk= 691, nxpk= 20, iat= 963, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 969, 970, 971,
&end
#
# 94 THR HN 94 THR MG2 4.50 (# 692:20 Unique 2.42, 3.85 A)
&rst
ixpk= 692, nxpk= 20, iat=1103, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1109,1110,1111,
&end
#
# 95 LEU HN 94 THR MG2 6.00 (# 693:20 Unique 3.50, 4.67 A)
&rst
ixpk= 693, nxpk= 20, iat=1117, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1109,1110,1111,
&end
#
# 59 LEU HN 59 LEU MDY 4.50 (# 694:20 Unique 2.32, 4.06 A)
&rst
ixpk= 694, nxpk= 20, iat= 554, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 563, 564, 565, 567, 568, 569,
&end
#
# 112 HIS HA 79 VAL MGX 4.50 (# 695:20 Unique 3.40, 6.52 A)
&rst
ixpk= 695, nxpk= 20, iat=1421, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 78 LEU HA 79 VAL MGX 6.00 (# 696:20 Unique 3.93, 5.88 A)
&rst
ixpk= 696, nxpk= 20, iat= 848, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 153 GLU HN 152 VAL MGX 4.50 (# 697:20 Unique 3.14, 4.61 A)
&rst
ixpk= 697, nxpk= 20, iat=2073, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 152 VAL HN 152 VAL MGX 4.50 (# 698:20 Unique 2.30, 3.93 A)
&rst
ixpk= 698, nxpk= 20, iat=2057, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 114 LEU HA 79 VAL MGX 6.00 (# 699:20 Unique 3.63, 4.70 A)
&rst
ixpk= 699, nxpk= 20, iat=1460, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 79 VAL HN 79 VAL MGX 3.50 (# 700:20 Unique 2.48, 4.06 A)
&rst
ixpk= 700, nxpk= 20, iat= 865, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 112 HIS HD2 79 VAL MGX 3.50 (# 702:20 Unique 2.24, 4.39 A)
&rst
ixpk= 702, nxpk= 20, iat=1432, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 0 AMB 20-2:704 79 VAL MGX 6.00 (# 704:20 Single Ambig)
&rst
ixpk= 704, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 883, 701,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 139 VAL HN 139 VAL MGX 3.50 (# 705:20 Unique 2.22, 3.93 A)
&rst
ixpk= 705, nxpk= 20, iat=1860, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1866,1867,1868,1870,1871,1872,
&end
#
# 0 AMB 20-2:706 139 VAL MGX 4.50 (# 706:20 Single Ambig)
&rst
ixpk= 706, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1876,1906,
igr2=1866,1867,1868,1870,1871,1872,
&end
#
# 103 LYS HN 102 VAL MGX 6.00 (# 707:20 Unique 3.40, 4.70 A)
&rst
ixpk= 707, nxpk= 20, iat=1251, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1241,1242,1243,1245,1246,1247,
&end
#
# 102 VAL HN 102 VAL MGX 4.50 (# 708:20 Unique 2.29, 3.91 A)
&rst
ixpk= 708, nxpk= 20, iat=1235, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1241,1242,1243,1245,1246,1247,
&end
#
# 117 TYR HN 116 ILE QG2 4.50 (# 712:20 Unique 2.82, 3.96 A)
&rst
ixpk= 712, nxpk= 20, iat=1511, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1498,1499,1500,
&end
#
# 116 ILE HA 116 ILE QG2 4.50 (# 714:20 Unique 2.22, 3.08 A)
&rst
ixpk= 714, nxpk= 20, iat=1494, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1498,1499,1500,
&end
#
# 83 PHE HD 116 ILE QG2 3.50 (# 715:20 Unique 2.71, 5.87 A)
&rst
ixpk= 715, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 951, 959,
igr2=1498,1499,1500,
&end
#
# 56 LEU HN 56 LEU MDX 4.50 (# 716:20 Unique 2.41, 4.03 A)
&rst
ixpk= 716, nxpk= 20, iat= 505, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 94 THR HN 93 ALA MB 4.50 (# 717:20 Unique 2.37, 3.44 A)
&rst
ixpk= 717, nxpk= 20, iat=1103, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1097,1098,1099,
&end
#
# 87 VAL HN 93 ALA MB 6.00 (# 718:20 Unique 4.25, 6.40 A)
&rst
ixpk= 718, nxpk= 20, iat=1005, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1097,1098,1099,
&end
#
# 87 VAL HN 87 VAL MGX 4.50 (# 719:20 Unique 2.01, 3.81 A)
&rst
ixpk= 719, nxpk= 20, iat=1005, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 83 PHE HE 93 ALA MB 4.50 (# 720:20 Unique 2.75, 6.22 A)
&rst
ixpk= 720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 953, 957,
igr2=1097,1098,1099,
&end
#
# 142 ALA HN 142 ALA MB 2.80 (# 721:20 Unique 2.46, 2.86 A)
&rst
ixpk= 721, nxpk= 20, iat=1896, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1900,1901,1902,
&end
#
# 144 GLU HN 0 AMB 20-1:722 4.50 (# 722:20 Single Ambig)
&rst
ixpk= 722, nxpk= 20, iat=1923, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1900,1901,1902,1890,1891,1892,
&end
#
# 33 MET HN 33 MET ME 6.00 (# 723:20 Unique 2.15, 4.44 A)
&rst
ixpk= 723, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 130, 131, 132,
&end
#
# 71 GLU HN 33 MET ME 6.00 (# 724:20 Unique 2.57, 4.82 A)
&rst
ixpk= 724, nxpk= 20, iat= 732, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 130, 131, 132,
&end
#
# 77 TYR HD 33 MET ME 4.50 (# 725:20 Unique 2.24, 5.75 A)
&rst
ixpk= 725, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 833, 842,
igr2= 130, 131, 132,
&end
#
# 70 GLN HA 33 MET ME 6.00 (# 727:20 Unique 2.68, 5.35 A)
&rst
ixpk= 727, nxpk= 20, iat= 717, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 130, 131, 132,
&end
#
# 138 ARG HN 141 ALA MB 6.00 (# 728:20 Preassigned 5.10, 5.79 A)
&rst
ixpk= 728, nxpk= 20, iat=1836, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1890,1891,1892,
&end
#
# 68 GLU HN 80 ILE QG2 6.00 (# 729:20 Unique 3.63, 5.21 A)
&rst
ixpk= 729, nxpk= 20, iat= 684, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 887, 888, 889,
&end
#
# 0 AMB 20-2:730 80 ILE QG2 6.00 (# 730:20 Single Ambig)
&rst
ixpk= 730, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 902,1494,
igr2= 887, 888, 889,
&end
#
# 80 ILE HN 80 ILE QG2 4.50 (# 731:20 Unique 4.21, 4.72 A)
&rst
ixpk= 731, nxpk= 20, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 887, 888, 889,
&end
#
# 81 ILE HN 80 ILE QG2 3.50 (# 732:20 Unique 2.85, 3.69 A)
&rst
ixpk= 732, nxpk= 20, iat= 900, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 887, 888, 889,
&end
#
# 133 ILE HN 133 ILE QG2 4.50 (# 733:20 Unique 2.25, 3.16 A)
&rst
ixpk= 733, nxpk= 20, iat=1754, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1760,1761,1762,
&end
#
# 117 TYR HD 80 ILE QG2 3.50 (# 734:20 Unique 2.32, 5.29 A)
&rst
ixpk= 734, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1519,1528,
igr2= 887, 888, 889,
&end
#
# 117 TYR HE 80 ILE QG2 3.50 (# 735:20 Unique 2.27, 4.98 A)
&rst
ixpk= 735, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1521,1526,
igr2= 887, 888, 889,
&end
#
# 80 ILE HA 80 ILE QG2 4.50 (# 736:20 Unique 2.43, 3.09 A)
&rst
ixpk= 736, nxpk= 20, iat= 883, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 887, 888, 889,
&end
#
# 152 VAL HN 151 ILE QG2 4.50 (# 737:20 Unique 3.28, 4.20 A)
&rst
ixpk= 737, nxpk= 20, iat=2057, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2044,2045,2046,
&end
#
# 134 ASN HN 133 ILE QG2 6.00 (# 738:20 Unique 4.48, 5.05 A)
&rst
ixpk= 738, nxpk= 20, iat=1773, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1760,1761,1762,
&end
#
# 156 VAL HN 156 VAL MGX 2.80 (# 739:20 Unique 2.31, 3.48 A)
&rst
ixpk= 739, nxpk= 20, iat=2116, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=2122,2123,2124,2126,2127,2128,
&end
#
# 157 LEU HN 156 VAL MGX 4.50 (# 741:20 Unique 2.63, 4.43 A)
&rst
ixpk= 741, nxpk= 20, iat=2132, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=2122,2123,2124,2126,2127,2128,
&end
#
# 37 ALA HN 37 ALA MB 2.80 (# 742:20 Unique 2.40, 2.91 A)
&rst
ixpk= 742, nxpk= 20, iat= 188, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 192, 193, 194,
&end
#
# 141 ALA HN 0 AMB 20-1:743 2.80 (# 743:20 Single Ambig)
&rst
ixpk= 743, nxpk= 20, iat=1886, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1890,1891,1892,1880,1881,1882,
&end
#
# 139 VAL HN 140 ALA MB 4.50 (# 744:20 Preassigned 4.89, 5.54 A)
&rst
ixpk= 744, nxpk= 20, iat=1860, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1880,1881,1882,
&end
#
# 137 GLU HN 140 ALA MB 6.00 (# 745:20 Preassigned 5.06, 5.81 A)
&rst
ixpk= 745, nxpk= 20, iat=1821, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1880,1881,1882,
&end
#
# 140 ALA HN 140 ALA MB 2.80 (# 746:20 Unique 2.45, 2.84 A)
&rst
ixpk= 746, nxpk= 20, iat=1876, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1880,1881,1882,
&end
#
# 0 AMB 20-2:748 0 AMB 20-1:748 6.00 (# 748:20 Double Ambig)
&rst
ixpk= 748, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1= 900,2151,
igr2= 906, 907, 908,2122,2123,2124,2126,2127,2128,
&end
#
# 82 ARG HN 81 ILE QG2 3.50 (# 749:20 Unique 2.70, 3.52 A)
&rst
ixpk= 749, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 906, 907, 908,
&end
#
# 72 ILE HN 72 ILE QG2 4.50 (# 750:20 Unique 4.33, 4.65 A)
&rst
ixpk= 750, nxpk= 20, iat= 747, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 753, 754, 755,
&end
#
# 73 ASN HD2- 72 ILE QG2 4.50 (# 751:20 Unique 2.33, 5.85 A)
&rst
ixpk= 751, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 775, 776,
igr2= 753, 754, 755,
&end
#
# 44 ILE HN 44 ILE QG2 4.50 (# 752:20 Unique 2.34, 3.38 A)
&rst
ixpk= 752, nxpk= 20, iat= 300, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 306, 307, 308,
&end
#
# 69 VAL HN 37 ALA MB 4.50 (# 753:20 Unique 2.61, 4.09 A)
&rst
ixpk= 753, nxpk= 20, iat= 699, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 192, 193, 194,
&end
#
# 33 MET HN 32 ILE QG2 4.50 (# 754:20 Unique 2.54, 3.70 A)
&rst
ixpk= 754, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 106, 107, 108,
&end
#
# 32 ILE HN 32 ILE QG2 4.50 (# 755:20 Unique 2.97, 4.70 A)
&rst
ixpk= 755, nxpk= 20, iat= 100, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 106, 107, 108,
&end
#
# 81 ILE HA 81 ILE QG2 4.50 (# 757:20 Unique 2.29, 3.02 A)
&rst
ixpk= 757, nxpk= 20, iat= 902, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 906, 907, 908,
&end
#
# 130 ASN HN 129 ILE QG2 4.50 (# 758:20 Unique 3.20, 4.38 A)
&rst
ixpk= 758, nxpk= 20, iat=1701, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1688,1689,1690,
&end
#
# 129 ILE HN 129 ILE QG2 4.50 (# 759:20 Unique 4.39, 4.63 A)
&rst
ixpk= 759, nxpk= 20, iat=1682, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1688,1689,1690,
&end
#
# 62 VAL HA 62 VAL MGX 4.50 (# 760:20 Unique 2.35, 3.40 A)
&rst
ixpk= 760, nxpk= 20, iat= 606, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 56 LEU HN 62 VAL MGX 8.00 (# 761:20 Unique 4.52, 6.40 A)
&rst
ixpk= 761, nxpk= 20, iat= 505, -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 0 AMB 20-2:762 62 VAL MGX 4.50 (# 762:20 Single Ambig)
&rst
ixpk= 762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 620, 319,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 57 GLU HN 62 VAL MGX 6.00 (# 763:20 Unique 3.35, 5.54 A)
&rst
ixpk= 763, nxpk= 20, iat= 524, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 0 AMB 20-2:764 62 VAL MGX 3.50 (# 764:20 Single Ambig)
&rst
ixpk= 764, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 604, 256, 265,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 41 TYR HE 62 VAL MGX 4.50 (# 765:20 Unique 2.18, 6.45 A)
&rst
ixpk= 765, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 258, 263,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 118 ILE HN 118 ILE QG2 4.50 (# 767:20 Unique 1.99, 3.32 A)
&rst
ixpk= 767, nxpk= 20, iat=1532, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1538,1539,1540,
&end
#
# 119 SER HN 118 ILE QG2 4.50 (# 769:20 Unique 2.64, 4.58 A)
&rst
ixpk= 769, nxpk= 20, iat=1551, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1538,1539,1540,
&end
#
# 48 ARG HN 47 ILE QG2 4.50 (# 771:20 Unique 2.65, 3.44 A)
&rst
ixpk= 771, nxpk= 20, iat= 376, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 363, 364, 365,
&end
#
# 47 ILE HN 47 ILE QG2 6.00 (# 772:20 Unique 4.31, 4.55 A)
&rst
ixpk= 772, nxpk= 20, iat= 357, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 363, 364, 365,
&end
#
# 96 ILE HN 96 ILE QG2 6.00 (# 773:20 Unique 4.32, 4.55 A)
&rst
ixpk= 773, nxpk= 20, iat=1136, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1142,1143,1144,
&end
#
# 97 GLY HN 96 ILE QG2 6.00 (# 774:20 Unique 3.01, 4.03 A)
&rst
ixpk= 774, nxpk= 20, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1142,1143,1144,
&end
#
# 83 PHE HE 96 ILE QG2 4.50 (# 775:20 Unique 2.54, 4.67 A)
&rst
ixpk= 775, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 953, 957,
igr2=1142,1143,1144,
&end
#
# 83 PHE HD 96 ILE QG2 4.50 (# 776:20 Unique 2.60, 4.77 A)
&rst
ixpk= 776, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 951, 959,
igr2=1142,1143,1144,
&end
#
# 143 MET HN 143 MET ME 4.50 (# 777:20 Unique 3.57, 4.82 A)
&rst
ixpk= 777, nxpk= 20, iat=1906, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1917,1918,1919,
&end
#
# 100 LEU HN 116 ILE QD1 6.00 (# 780:20 Unique 4.40, 5.77 A)
&rst
ixpk= 780, nxpk= 20, iat=1192, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1505,1506,1507,
&end
#
# 101 ARG HN 116 ILE QD1 6.00 (# 781:20 Unique 2.37, 3.55 A)
&rst
ixpk= 781, nxpk= 20, iat=1211, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1505,1506,1507,
&end
#
# 81 ILE HN 81 ILE QD1 6.00 (# 782:20 Unique 2.39, 4.48 A)
&rst
ixpk= 782, nxpk= 20, iat= 900, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 913, 914, 915,
&end
#
# 81 ILE HA 81 ILE QD1 4.50 (# 783:20 Unique 2.43, 4.11 A)
&rst
ixpk= 783, nxpk= 20, iat= 902, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 913, 914, 915,
&end
#
# 103 LYS HN 47 ILE QD1 6.00 (# 784:20 Preassigned 3.90, 4.77 A)
&rst
ixpk= 784, nxpk= 20, iat=1251, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 370, 371, 372,
&end
#
# 133 ILE HN 133 ILE QD1 4.50 (# 787:20 Unique 3.61, 4.48 A)
&rst
ixpk= 787, nxpk= 20, iat=1754, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1767,1768,1769,
&end
#
# 134 ASN HN 133 ILE QD1 4.50 (# 788:20 Unique 4.72, 5.17 A)
&rst
ixpk= 788, nxpk= 20, iat=1773, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1767,1768,1769,
&end
#
# 83 PHE HE 133 ILE QD1 4.50 (# 789:20 Unique 2.17, 4.25 A)
&rst
ixpk= 789, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 953, 957,
igr2=1767,1768,1769,
&end
#
# 47 ILE HN 47 ILE QD1 4.50 (# 790:20 Unique 3.70, 4.39 A)
&rst
ixpk= 790, nxpk= 20, iat= 357, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 370, 371, 372,
&end
#
# 80 ILE HN 80 ILE QD1 4.50 (# 792:20 Unique 4.35, 4.97 A)
&rst
ixpk= 792, nxpk= 20, iat= 881, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 894, 895, 896,
&end
#
# 117 TYR HE 80 ILE QD1 6.00 (# 793:20 Unique 2.97, 6.89 A)
&rst
ixpk= 793, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1521,1526,
igr2= 894, 895, 896,
&end
#
# 70 GLN HE2+ 80 ILE QD1 4.50 (# 794:20 Unique 2.66, 4.19 A)
&rst
ixpk= 794, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 727, 728,
igr2= 894, 895, 896,
&end
#
# 70 GLN HE2- 80 ILE QD1 4.50 (# 795:20 Unique 2.66, 4.19 A)
&rst
ixpk= 795, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 727, 728,
igr2= 894, 895, 896,
&end
#
# 0 AMB 20-2:796 80 ILE QD1 4.50 (# 796:20 Single Ambig)
&rst
ixpk= 796, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 701, 883,
igr2= 894, 895, 896,
&end
#
# 44 ILE HN 44 ILE QD1 4.50 (# 797:20 Unique 3.33, 4.50 A)
&rst
ixpk= 797, nxpk= 20, iat= 300, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 313, 314, 315,
&end
#
# 41 TYR HD 44 ILE QD1 4.50 (# 798:20 Unique 2.28, 5.69 A)
&rst
ixpk= 798, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 256, 265,
igr2= 313, 314, 315,
&end
#
# 45 ARG HN 44 ILE QD1 4.50 (# 799:20 Unique 2.48, 4.87 A)
&rst
ixpk= 799, nxpk= 20, iat= 319, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 313, 314, 315,
&end
#
# 118 ILE HN 118 ILE QD1 6.00 (# 800:20 Unique 2.69, 5.40 A)
&rst
ixpk= 800, nxpk= 20, iat=1532, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1545,1546,1547,
&end
#
# 83 PHE HE 118 ILE QD1 6.00 (# 801:20 Unique 2.52, 5.03 A)
&rst
ixpk= 801, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 953, 957,
igr2=1545,1546,1547,
&end
#
# 96 ILE HN 96 ILE QD1 4.50 (# 802:20 Unique 3.52, 4.25 A)
&rst
ixpk= 802, nxpk= 20, iat=1136, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1149,1150,1151,
&end
#
# 83 PHE HE 96 ILE QD1 4.50 (# 803:20 Unique 3.26, 6.62 A)
&rst
ixpk= 803, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 953, 957,
igr2=1149,1150,1151,
&end
#
# 152 VAL HN 151 ILE QD1 8.00 (# 805:20 Unique 4.67, 5.55 A)
&rst
ixpk= 805, nxpk= 20, iat=2057, -1, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr2=2051,2052,2053,
&end
#
# 151 ILE HN 151 ILE QD1 4.50 (# 806:20 Unique 3.58, 4.26 A)
&rst
ixpk= 806, nxpk= 20, iat=2038, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2051,2052,2053,
&end
#
# 113 LYS HN 72 ILE QD1 8.00 (# 807:20 Unique 3.28, 4.49 A)
&rst
ixpk= 807, nxpk= 20, iat=1436, -1, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr2= 760, 761, 762,
&end
#
# 72 ILE HN 72 ILE QD1 6.00 (# 808:20 Unique 4.02, 4.72 A)
&rst
ixpk= 808, nxpk= 20, iat= 747, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 760, 761, 762,
&end
#
# 0 AMB 20-2:809 72 ILE QD1 4.50 (# 809:20 Single Ambig)
&rst
ixpk= 809, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 825, 766,
igr2= 760, 761, 762,
&end
#
# 0 AMB 20-2:810 72 ILE QD1 4.50 (# 810:20 Single Ambig)
&rst
ixpk= 810, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 827, 848,
igr2= 760, 761, 762,
&end
#
# 78 LEU HN 72 ILE QD1 6.00 (# 811:20 Unique 3.33, 4.32 A)
&rst
ixpk= 811, nxpk= 20, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 760, 761, 762,
&end
#
# 32 ILE HN 32 ILE QD1 6.00 (# 812:20 Unique 2.54, 4.35 A)
&rst
ixpk= 812, nxpk= 20, iat= 100, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 113, 114, 115,
&end
#
# 43 LEU HA 43 LEU HB+ 4.50 (# 814:20 Unique 2.47, 2.84 A)
&rst
ixpk= 814, nxpk= 20, iat= 283, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 285, 286,
&end
#
# 43 LEU HA 43 LEU HB- 4.50 (# 815:20 Unique 2.47, 2.84 A)
&rst
ixpk= 815, nxpk= 20, iat= 283, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 285, 286,
&end
#
# 59 LEU HA 59 LEU HB+ 4.50 (# 816:20 Unique 2.45, 2.83 A)
&rst
ixpk= 816, nxpk= 20, iat= 556, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 558, 559,
&end
#
# 59 LEU HA 59 LEU HB- 6.00 (# 817:20 Unique 2.45, 2.83 A)
&rst
ixpk= 817, nxpk= 20, iat= 556, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 558, 559,
&end
#
# 95 LEU HA 95 LEU HB- 3.50 (# 818:20 Unique 2.45, 2.80 A)
&rst
ixpk= 818, nxpk= 20, iat=1119, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1121,1122,
&end
#
# 95 LEU HA 0 AMB 20-1:819 3.50 (# 819:20 Single Ambig)
&rst
ixpk= 819, nxpk= 20, iat=1119, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1166,1167,1121,1122,
&end
#
# 0 AMB 20-2:821 100 LEU HB- 6.00 (# 821:20 Single Ambig)
&rst
ixpk= 821, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1157,1158,1194,
igr2=1196,1197,
&end
#
# 157 LEU HA 157 LEU HB+ 3.50 (# 822:20 Unique 2.17, 2.73 A)
&rst
ixpk= 822, nxpk= 20, iat=2134, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2136,2137,
&end
#
# 98 LEU HA 98 LEU HB- 3.50 (# 823:20 Unique 2.48, 2.82 A)
&rst
ixpk= 823, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1166,1167,
&end
#
# 92 LEU HA 92 LEU HB+ 4.50 (# 824:20 Unique 2.42, 2.80 A)
&rst
ixpk= 824, nxpk= 20, iat=1076, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1078,1079,
&end
#
# 92 LEU HA 92 LEU HB- 4.50 (# 825:20 Unique 2.42, 2.80 A)
&rst
ixpk= 825, nxpk= 20, iat=1076, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1078,1079,
&end
#
# 162 LEU HA 162 LEU HB+ 3.50 (# 826:20 Unique 2.37, 2.73 A)
&rst
ixpk= 826, nxpk= 20, iat=2211, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2213,2214,
&end
#
# 162 LEU HA 162 LEU HB- 2.80 (# 827:20 Unique 2.37, 2.73 A)
&rst
ixpk= 827, nxpk= 20, iat=2211, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2213,2214,
&end
#
# 0 AMB 20-2:828 0 AMB 20-1:828 4.50 (# 828:20 Double Ambig)
&rst
ixpk= 828, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1157,1158,1194,
igr2=1196,1197,1196,1197,
&end
#
# 145 ASN HB- 148 LEU HB- 6.00 (# 829:20 Unique 2.35, 4.01 A)
&rst
ixpk= 829, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1942,1943,
igr2=1984,1985,
&end
#
# 148 LEU HA 148 LEU HB+ 3.50 (# 830:20 Unique 2.46, 2.79 A)
&rst
ixpk= 830, nxpk= 20, iat=1982, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1984,1985,
&end
#
# 149 ARG HA 148 LEU HB+ 8.00 (# 831:20 Unique 4.22, 4.50 A)
&rst
ixpk= 831, nxpk= 20, iat=2001, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1984,1985,
&end
#
# 148 LEU HA 148 LEU HB- 4.50 (# 832:20 Unique 2.46, 2.79 A)
&rst
ixpk= 832, nxpk= 20, iat=1982, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1984,1985,
&end
#
# 145 ASN HB+ 148 LEU HB- 6.00 (# 833:20 Unique 2.35, 4.01 A)
&rst
ixpk= 833, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1942,1943,
igr2=1984,1985,
&end
#
# 35 GLU HA 38 LEU HB+ 4.50 (# 834:20 Unique 2.24, 3.19 A)
&rst
ixpk= 834, nxpk= 20, iat= 153, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 202, 203,
&end
#
# 38 LEU HA 38 LEU HB+ 4.50 (# 835:20 Unique 2.46, 2.79 A)
&rst
ixpk= 835, nxpk= 20, iat= 200, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 202, 203,
&end
#
# 38 LEU HA 38 LEU HB- 4.50 (# 836:20 Unique 2.46, 2.79 A)
&rst
ixpk= 836, nxpk= 20, iat= 200, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 202, 203,
&end
#
# 35 GLU HA 38 LEU HB- 4.50 (# 837:20 Unique 2.24, 3.19 A)
&rst
ixpk= 837, nxpk= 20, iat= 153, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 202, 203,
&end
#
# 72 ILE HA 72 ILE HB 4.50 (# 838:20 Unique 3.03, 3.04 A)
&rst
ixpk= 838, nxpk= 20, iat= 749, 751, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:839 118 ILE HB 6.00 (# 839:20 Single Ambig)
&rst
ixpk= 839, nxpk= 20, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1534,1642,
&end
#
# 151 ILE HA 151 ILE HB 4.50 (# 840:20 Unique 3.04, 3.05 A)
&rst
ixpk= 840, nxpk= 20, iat=2040,2042, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 32 ILE HA 32 ILE HB 4.50 (# 841:20 Unique 2.59, 3.01 A)
&rst
ixpk= 841, nxpk= 20, iat= 102, 104, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 44 ILE HA 44 ILE HB 4.50 (# 842:20 Unique 2.37, 2.43 A)
&rst
ixpk= 842, nxpk= 20, iat= 302, 304, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 129 ILE HA 129 ILE HB 6.00 (# 843:20 Unique 3.02, 3.04 A)
&rst
ixpk= 843, nxpk= 20, iat=1684,1686, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 93 ALA HA 96 ILE HB 4.50 (# 844:20 Unique 2.49, 2.72 A)
&rst
ixpk= 844, nxpk= 20, iat=1095,1140, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 GLU HA 60 GLU HG- 4.50 (# 845:20 Unique 2.50, 2.86 A)
&rst
ixpk= 845, nxpk= 20, iat= 575, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 580, 581,
&end
#
# 51 GLU HA 51 GLU HG+ 3.50 (# 846:20 Unique 2.37, 3.00 A)
&rst
ixpk= 846, nxpk= 20, iat= 428, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 433, 434,
&end
#
# 51 GLU HA 51 GLU HG- 3.50 (# 847:20 Unique 2.37, 3.00 A)
&rst
ixpk= 847, nxpk= 20, iat= 428, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 433, 434,
&end
#
# 71 GLU HA 71 GLU HG+ 4.50 (# 848:20 Unique 2.40, 2.98 A)
&rst
ixpk= 848, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 739, 740,
&end
#
# 68 GLU HA 68 GLU HG- 4.50 (# 850:20 Unique 2.37, 2.89 A)
&rst
ixpk= 850, nxpk= 20, iat= 686, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 691, 692,
&end
#
# 76 GLU HA 76 GLU HG- 3.50 (# 851:20 Unique 2.37, 3.11 A)
&rst
ixpk= 851, nxpk= 20, iat= 812, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 817, 818,
&end
#
# 64 GLU HA 64 GLU HG+ 4.50 (# 852:20 Unique 2.49, 3.05 A)
&rst
ixpk= 852, nxpk= 20, iat= 633, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 638, 639,
&end
#
# 64 GLU HA 64 GLU HG- 4.50 (# 853:20 Unique 2.49, 3.05 A)
&rst
ixpk= 853, nxpk= 20, iat= 633, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 638, 639,
&end
#
# 115 GLU HA 115 GLU HG- 4.50 (# 854:20 Unique 2.33, 3.15 A)
&rst
ixpk= 854, nxpk= 20, iat=1479, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1484,1485,
&end
#
# 163 GLU HA 163 GLU HG+ 3.50 (# 855:20 Unique 2.37, 2.96 A)
&rst
ixpk= 855, nxpk= 20, iat=2230, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2235,2236,
&end
#
# 163 GLU HA 163 GLU HG- 6.00 (# 857:20 Unique 2.37, 2.96 A)
&rst
ixpk= 857, nxpk= 20, iat=2230, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2235,2236,
&end
#
# 113 LYS HA 113 LYS HB+ 4.50 (# 860:20 Unique 2.45, 2.77 A)
&rst
ixpk= 860, nxpk= 20, iat=1438, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1440,1441,
&end
#
# 113 LYS HA 113 LYS HB- 4.50 (# 861:20 Unique 2.45, 2.77 A)
&rst
ixpk= 861, nxpk= 20, iat=1438, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1440,1441,
&end
#
# 88 PRO HD- 87 VAL HB 3.50 (# 862:20 Unique 2.18, 3.47 A)
&rst
ixpk= 862, nxpk= 20, iat= -1,1009, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1022,1023,
&end
#
# 51 GLU HA 51 GLU HB- 3.50 (# 864:20 Unique 2.40, 2.77 A)
&rst
ixpk= 864, nxpk= 20, iat= 428, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 430, 431,
&end
#
# 52 LYS HA 52 LYS HB+ 4.50 (# 865:20 Unique 2.36, 2.75 A)
&rst
ixpk= 865, nxpk= 20, iat= 443, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 445, 446,
&end
#
# 53 PRO HD- 52 LYS HB+ 6.00 (# 866:20 Unique 2.27, 3.76 A)
&rst
ixpk= 866, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 464, 465,
igr2= 445, 446,
&end
#
# 51 GLU HA 51 GLU HB+ 3.50 (# 867:20 Unique 2.40, 2.77 A)
&rst
ixpk= 867, nxpk= 20, iat= 428, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 430, 431,
&end
#
# 76 GLU HA 76 GLU HB+ 4.50 (# 868:20 Unique 2.32, 2.70 A)
&rst
ixpk= 868, nxpk= 20, iat= 812, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 814, 815,
&end
#
# 0 AMB 20-2:869 0 AMB 20-1:869 6.00 (# 869:20 Double Ambig)
&rst
ixpk= 869, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1= 770, 771, 770, 771,
igr2= 814, 815, 814, 815,
&end
#
# 52 LYS HA 52 LYS HB- 4.50 (# 870:20 Unique 2.36, 2.75 A)
&rst
ixpk= 870, nxpk= 20, iat= 443, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 445, 446,
&end
#
# 76 GLU HA 76 GLU HB- 4.50 (# 871:20 Unique 2.32, 2.70 A)
&rst
ixpk= 871, nxpk= 20, iat= 812, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 814, 815,
&end
#
# 0 AMB 20-2:872 76 GLU HB- 4.50 (# 872:20 Single Ambig)
&rst
ixpk= 872, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 770, 771, 770, 771,
igr2= 814, 815,
&end
#
# 27 MET HA 27 MET HB- 4.50 (# 873:20 Unique 2.40, 2.76 A)
&rst
ixpk= 873, nxpk= 20, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 8, 9,
&end
#
# 103 LYS HA 0 AMB 20-1:874 6.00 (# 874:20 Single Ambig)
&rst
ixpk= 874, nxpk= 20, iat=1253, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1255,1256,1255,1256,
&end
#
# 50 PRO HA 50 PRO HB+ 3.50 (# 875:20 Unique 2.32, 2.68 A)
&rst
ixpk= 875, nxpk= 20, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 419, 420,
&end
#
# 50 PRO HA 50 PRO HB- 4.50 (# 876:20 Unique 2.32, 2.68 A)
&rst
ixpk= 876, nxpk= 20, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 419, 420,
&end
#
# 50 PRO HD- 50 PRO HB+ 6.00 (# 878:20 Unique 2.75, 3.66 A)
&rst
ixpk= 878, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 413, 414,
igr2= 419, 420,
&end
#
# 111 LYS HA 111 LYS HB- 4.50 (# 879:20 Unique 2.36, 2.71 A)
&rst
ixpk= 879, nxpk= 20, iat=1399, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1401,1402,
&end
#
# 137 GLU HA 136 LYS HB- 6.00 (# 880:20 Unique 4.29, 5.08 A)
&rst
ixpk= 880, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1803,1804,
&end
#
# 36 LYS HA 36 LYS HB- 6.00 (# 881:20 Unique 2.33, 2.75 A)
&rst
ixpk= 881, nxpk= 20, iat= 168, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 170, 171,
&end
#
# 88 PRO HA 0 AMB 20-1:882 3.50 (# 882:20 Single Ambig)
&rst
ixpk= 882, nxpk= 20, iat=1031, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1028,1029,1028,1029,
&end
#
# 85 PRO HA 85 PRO HB- 4.50 (# 883:20 Unique 2.31, 2.52 A)
&rst
ixpk= 883, nxpk= 20, iat= 987, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 984, 985,
&end
#
# 111 LYS HA 111 LYS HB+ 3.50 (# 884:20 Unique 2.36, 2.71 A)
&rst
ixpk= 884, nxpk= 20, iat=1399, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1401,1402,
&end
#
# 0 AMB 20-2:885 0 AMB 20-1:885 2.80 (# 885:20 Double Ambig)
&rst
ixpk= 885, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1962,1717,
igr2=1959,1960,1719,1720,
&end
#
# 0 AMB 20-2:886 0 AMB 20-1:886 4.50 (# 886:20 Double Ambig)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1319,1320,1319,1320,
igr2=1313,1314,1313,1314,
&end
#
# 0 AMB 20-2:887 159 PRO HB- 3.50 (# 887:20 Single Ambig)
&rst
ixpk= 887, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2167,2168,2167,2168,
igr2=2173,2174,
&end
#
# 0 AMB 20-2:888 0 AMB 20-1:888 4.50 (# 888:20 Double Ambig)
&rst
ixpk= 888, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1812,1813,1812,1813,
igr2=1803,1804,1803,1804,
&end
#
# 136 LYS HA 136 LYS HB- 2.80 (# 889:20 Unique 2.33, 2.67 A)
&rst
ixpk= 889, nxpk= 20, iat=1801, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1803,1804,
&end
#
# 30 PRO HD- 30 PRO HB- 6.00 (# 890:20 Unique 2.82, 3.68 A)
&rst
ixpk= 890, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 63, 64,
igr2= 69, 70,
&end
#
# 30 PRO HA 30 PRO HB- 3.50 (# 891:20 Unique 2.30, 2.56 A)
&rst
ixpk= 891, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 69, 70,
&end
#
# 149 ARG HA 152 VAL HB 6.00 (# 892:20 Unique 2.39, 2.64 A)
&rst
ixpk= 892, nxpk= 20, iat=2001,2061, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 139 VAL HA 139 VAL HB 6.00 (# 893:20 Unique 3.02, 3.03 A)
&rst
ixpk= 893, nxpk= 20, iat=1862,1864, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 159 PRO HA 159 PRO HB- 3.50 (# 894:20 Unique 2.30, 2.58 A)
&rst
ixpk= 894, nxpk= 20, iat=2176, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2173,2174,
&end
#
# 102 VAL HA 102 VAL HB 4.50 (# 895:20 Unique 3.03, 3.03 A)
&rst
ixpk= 895, nxpk= 20, iat=1237,1239, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 MET HG- 33 MET HB+ 4.50 (# 896:20 Unique 2.24, 2.62 A)
&rst
ixpk= 896, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 126, 127,
igr2= 123, 124,
&end
#
# 33 MET HG- 33 MET HB- 4.50 (# 897:20 Unique 2.24, 2.62 A)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 126, 127,
igr2= 123, 124,
&end
#
# 0 AMB 20-2:899 0 AMB 20-1:899 4.50 (# 899:20 Double Ambig)
&rst
ixpk= 899, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 386, 387, 386, 387,
igr2= 380, 381, 380, 381,
&end
#
# 155 CYS HA 48 ARG HB- 4.50 (# 900:20 Unique 2.11, 2.84 A)
&rst
ixpk= 900, nxpk= 20, iat=2107, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 380, 381,
&end
#
# 109 PRO HA 109 PRO HB- 3.50 (# 901:20 Unique 2.30, 2.54 A)
&rst
ixpk= 901, nxpk= 20, iat=1373, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1370,1371,
&end
#
# 155 CYS HA 48 ARG HB+ 4.50 (# 902:20 Unique 2.11, 2.84 A)
&rst
ixpk= 902, nxpk= 20, iat=2107, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 380, 381,
&end
#
# 143 MET HA 143 MET HB+ 4.50 (# 903:20 Unique 2.46, 2.78 A)
&rst
ixpk= 903, nxpk= 20, iat=1908, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1910,1911,
&end
#
# 140 ALA HA 143 MET HB+ 4.50 (# 904:20 Unique 2.58, 3.59 A)
&rst
ixpk= 904, nxpk= 20, iat=1878, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1910,1911,
&end
#
# 143 MET HG- 143 MET HB+ 4.50 (# 906:20 Unique 2.25, 2.61 A)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1913,1914,
igr2=1910,1911,
&end
#
# 28 ARG HA 28 ARG HB+ 3.50 (# 907:20 Unique 2.38, 2.70 A)
&rst
ixpk= 907, nxpk= 20, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 25, 26,
&end
#
# 28 ARG HD- 28 ARG HB- 4.50 (# 908:20 Unique 2.38, 3.09 A)
&rst
ixpk= 908, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 31, 32,
igr2= 25, 26,
&end
#
# 57 GLU HA 57 GLU HB- 4.50 (# 909:20 Unique 2.33, 2.68 A)
&rst
ixpk= 909, nxpk= 20, iat= 526, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 528, 529,
&end
#
# 31 ARG HA 31 ARG HB+ 3.50 (# 910:20 Unique 2.33, 2.73 A)
&rst
ixpk= 910, nxpk= 20, iat= 78, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 80, 81,
&end
#
# 31 ARG HA 31 ARG HB- 3.50 (# 911:20 Unique 2.33, 2.73 A)
&rst
ixpk= 911, nxpk= 20, iat= 78, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 80, 81,
&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= 5.56, r4= 6.31,
igr1= 31, 32, 86, 87,
igr2= 25, 26, 80, 81,
&end
#
# 28 ARG HA 28 ARG HB- 4.50 (# 913:20 Unique 2.38, 2.70 A)
&rst
ixpk= 913, nxpk= 20, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 25, 26,
&end
#
# 163 GLU HA 0 AMB 20-1:918 2.80 (# 918:20 Single Ambig)
&rst
ixpk= 918, nxpk= 20, iat=2230, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=2232,2233,2232,2233,
&end
#
# 101 ARG HA 0 AMB 20-1:919 6.00 (# 919:20 Single Ambig)
&rst
ixpk= 919, nxpk= 20, iat=1213, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1215,1216,1215,1216,
&end
#
# 103 LYS HE+ 103 LYS HD- 6.00 (# 920:20 Unique 2.33, 2.73 A)
&rst
ixpk= 920, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1264,1265,
igr2=1261,1262,
&end
#
# 144 GLU HA 144 GLU HB+ 2.80 (# 921:20 Unique 2.46, 2.78 A)
&rst
ixpk= 921, nxpk= 20, iat=1925, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1927,1928,
&end
#
# 120 GLU HA 120 GLU HB- 2.80 (# 922:20 Unique 2.29, 2.72 A)
&rst
ixpk= 922, nxpk= 20, iat=1564, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1566,1567,
&end
#
# 138 ARG HD+ 138 ARG HB- 4.50 (# 923:20 Unique 2.40, 3.41 A)
&rst
ixpk= 923, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1846,1847,
igr2=1840,1841,
&end
#
# 103 LYS HE- 103 LYS HD- 6.00 (# 924:20 Unique 2.33, 2.73 A)
&rst
ixpk= 924, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1264,1265,
igr2=1261,1262,
&end
#
# 0 AMB 20-2:928 0 AMB 20-1:928 4.50 (# 928:20 Double Ambig)
&rst
ixpk= 928, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2167,2168,2167,2168,2001,
igr2=2155,2156,2003,2004,
&end
#
# 0 AMB 20-2:930 0 AMB 20-1:930 2.80 (# 930:20 Double Ambig)
&rst
ixpk= 930, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 168,1838,
igr2= 221, 222,1840,1841,
&end
#
# 147 ASN HA 150 GLU HB- 4.50 (# 931:20 Unique 2.72, 3.56 A)
&rst
ixpk= 931, nxpk= 20, iat=1968, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2027,2028,
&end
#
# 161 GLN HA 161 GLN HB+ 2.80 (# 932:20 Unique 2.27, 2.73 A)
&rst
ixpk= 932, nxpk= 20, iat=2194, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2196,2197,
&end
#
# 150 GLU HA 150 GLU HB- 2.80 (# 933:20 Unique 2.44, 2.78 A)
&rst
ixpk= 933, nxpk= 20, iat=2025, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2027,2028,
&end
#
# 0 AMB 20-2:935 0 AMB 20-1:935 3.50 (# 935:20 Double Ambig)
&rst
ixpk= 935, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1968,1630,
igr2=2027,2028,1659,1660,
&end
#
# 74 GLU HA 0 AMB 20-1:936 2.80 (# 936:20 Single Ambig)
&rst
ixpk= 936, nxpk= 20, iat= 782, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 784, 785, 784, 785,
&end
#
# 158 GLU HA 158 GLU HB- 4.50 (# 938:20 Unique 2.33, 2.54 A)
&rst
ixpk= 938, nxpk= 20, iat=2153, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2155,2156,
&end
#
# 128 ASP HA 0 AMB 20-1:939 6.00 (# 939:20 Single Ambig)
&rst
ixpk= 939, nxpk= 20, iat=1672, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1725,1726,1725,1726,
&end
#
# 111 LYS HA 0 AMB 20-1:940 6.00 (# 940:20 Single Ambig)
&rst
ixpk= 940, nxpk= 20, iat=1399, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1407,1408,1407,1408,
&end
#
# 0 AMB 20-2:941 0 AMB 20-1:941 2.80 (# 941:20 Double Ambig)
&rst
ixpk= 941, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.03, r4= 6.78,
igr1= 454, 455, 454, 455,1410,1411,1410,1411,1410,1411,
igr2= 451, 452, 451, 452,1407,1408,1407,1408,1407,1408,
&end
#
# 0 AMB 20-2:942 0 AMB 20-1:942 6.00 (# 942:20 Double Ambig)
&rst
ixpk= 942, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 443, 402,
igr2= 451, 452,1146,1147,
&end
#
# 113 LYS HA 0 AMB 20-1:943 6.00 (# 943:20 Single Ambig)
&rst
ixpk= 943, nxpk= 20, iat=1438, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1446,1447,1446,1447,
&end
#
# 137 GLU HA 137 GLU HB- 2.80 (# 944:20 Unique 2.42, 2.76 A)
&rst
ixpk= 944, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1825,1826,
&end
#
# 113 LYS HA 0 AMB 20-1:945 6.00 (# 945:20 Single Ambig)
&rst
ixpk= 945, nxpk= 20, iat=1438, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1446,1447,1446,1447,
&end
#
# 64 GLU HA 64 GLU HB- 4.50 (# 946:20 Unique 2.37, 2.71 A)
&rst
ixpk= 946, nxpk= 20, iat= 633, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 635, 636,
&end
#
# 0 AMB 20-2:947 0 AMB 20-1:947 2.80 (# 947:20 Double Ambig)
&rst
ixpk= 947, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1449,1450,1449,1450,1449,1450,
igr2=1446,1447,1446,1447,1446,1447,
&end
#
# 64 GLU HA 64 GLU HB+ 4.50 (# 948:20 Unique 2.37, 2.71 A)
&rst
ixpk= 948, nxpk= 20, iat= 633, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 635, 636,
&end
#
# 29 GLN HA 29 GLN HB+ 3.50 (# 949:20 Unique 2.36, 2.73 A)
&rst
ixpk= 949, nxpk= 20, iat= 47, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 49, 50,
&end
#
# 30 PRO HD- 29 GLN HB+ 4.50 (# 950:20 Unique 2.24, 4.14 A)
&rst
ixpk= 950, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 63, 64,
igr2= 49, 50,
&end
#
# 30 PRO HD+ 29 GLN HB- 6.00 (# 951:20 Unique 2.24, 4.14 A)
&rst
ixpk= 951, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 63, 64,
igr2= 49, 50,
&end
#
# 29 GLN HA 29 GLN HB- 4.50 (# 952:20 Unique 2.36, 2.73 A)
&rst
ixpk= 952, nxpk= 20, iat= 47, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 49, 50,
&end
#
# 30 PRO HD- 29 GLN HB- 6.00 (# 953:20 Unique 2.24, 4.14 A)
&rst
ixpk= 953, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 63, 64,
igr2= 49, 50,
&end
#
# 129 ILE HA 129 ILE HG1+ 4.50 (# 954:20 Unique 2.25, 3.09 A)
&rst
ixpk= 954, nxpk= 20, iat=1684, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1692,1693,
&end
#
# 151 ILE HA 154 GLN HB- 6.00 (# 955:20 Unique 2.26, 3.58 A)
&rst
ixpk= 955, nxpk= 20, iat=2040, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2092,2093,
&end
#
# 154 GLN HA 154 GLN HB- 2.80 (# 956:20 Unique 2.52, 2.81 A)
&rst
ixpk= 956, nxpk= 20, iat=2090, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2092,2093,
&end
#
# 0 AMB 20-2:957 0 AMB 20-1:957 3.50 (# 957:20 Double Ambig)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 929, 930, 929, 930,
igr2= 926, 927, 926, 927,
&end
#
# 0 AMB 20-2:958 82 ARG HG- 4.50 (# 958:20 Single Ambig)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 929, 930, 929, 930,
igr2= 926, 927,
&end
#
# 0 AMB 20-2:959 153 GLU HB- 4.50 (# 959:20 Single Ambig)
&rst
ixpk= 959, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2025,2075,
igr2=2077,2078,
&end
#
# 151 ILE HA 151 ILE HG1- 4.50 (# 960:20 Unique 2.60, 2.77 A)
&rst
ixpk= 960, nxpk= 20, iat=2040, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2048,2049,
&end
#
# 151 ILE HA 151 ILE HG1+ 4.50 (# 961:20 Unique 2.60, 2.77 A)
&rst
ixpk= 961, nxpk= 20, iat=2040, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2048,2049,
&end
#
# 102 VAL HA 105 GLN HB- 4.50 (# 962:20 Unique 2.26, 3.14 A)
&rst
ixpk= 962, nxpk= 20, iat=1237, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1296,1297,
&end
#
# 53 PRO HA 53 PRO HB- 3.50 (# 963:20 Unique 2.31, 2.55 A)
&rst
ixpk= 963, nxpk= 20, iat= 473, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 470, 471,
&end
#
# 50 PRO HA 0 AMB 20-1:964 4.50 (# 964:20 Single Ambig)
&rst
ixpk= 964, nxpk= 20, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2= 416, 417, 416, 417,
&end
#
# 0 AMB 20-2:965 0 AMB 20-1:965 4.50 (# 965:20 Double Ambig)
&rst
ixpk= 965, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 413, 414, 413, 414,
igr2= 416, 417, 416, 417,
&end
#
# 32 ILE HA 32 ILE HG1- 6.00 (# 966:20 Unique 2.37, 3.17 A)
&rst
ixpk= 966, nxpk= 20, iat= 102, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 110, 111,
&end
#
# 0 AMB 20-2:967 0 AMB 20-1:967 4.50 (# 967:20 Double Ambig)
&rst
ixpk= 967, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 378,2176,
igr2= 383, 384, 383, 384,
&end
#
# 0 AMB 20-2:968 0 AMB 20-1:968 4.50 (# 968:20 Double Ambig)
&rst
ixpk= 968, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1311,2107,
igr2=1316,1317, 383, 384,
&end
#
# 0 AMB 20-2:969 0 AMB 20-1:969 3.50 (# 969:20 Double Ambig)
&rst
ixpk= 969, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 386, 387, 386, 387,
igr2= 383, 384, 383, 384,
&end
#
# 0 AMB 20-2:970 0 AMB 20-1:970 4.50 (# 970:20 Double Ambig)
&rst
ixpk= 970, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=2167,2168,2167,2168,1275,
igr2= 383, 384,1280,
&end
#
# 0 AMB 20-2:971 48 ARG HG- 4.50 (# 971:20 Single Ambig)
&rst
ixpk= 971, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 378,2176,
igr2= 383, 384,
&end
#
# 0 AMB 20-2:972 48 ARG HG- 2.80 (# 972:20 Single Ambig)
&rst
ixpk= 972, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 386, 387, 386, 387,
igr2= 383, 384,
&end
#
# 0 AMB 20-2:973 0 AMB 20-1:973 4.50 (# 973:20 Double Ambig)
&rst
ixpk= 973, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1119,2025,
igr2=1124,2006,2007,2006,2007,
&end
#
# 32 ILE HA 32 ILE HG1+ 6.00 (# 974:20 Unique 2.37, 3.17 A)
&rst
ixpk= 974, nxpk= 20, iat= 102, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 110, 111,
&end
#
# 0 AMB 20-2:975 0 AMB 20-1:975 2.80 (# 975:20 Double Ambig)
&rst
ixpk= 975, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1953,1954,1953,1954,
igr2=1956,1957,1956,1957,
&end
#
# 146 PRO HD- 0 AMB 20-1:976 2.80 (# 976:20 Single Ambig)
&rst
ixpk= 976, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1953,1954,
igr2=1956,1957,1956,1957,
&end
#
# 30 PRO HA 30 PRO HG+ 4.50 (# 978:20 Unique 2.78, 3.83 A)
&rst
ixpk= 978, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 66, 67,
&end
#
# 0 AMB 20-2:979 0 AMB 20-1:979 2.80 (# 979:20 Double Ambig)
&rst
ixpk= 979, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 63, 64,2167,2168,2167,2168,
igr2= 66, 67,2170,2171,2170,2171,
&end
#
# 0 AMB 20-2:980 0 AMB 20-1:980 2.80 (# 980:20 Double Ambig)
&rst
ixpk= 980, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 63, 64,2167,2168,2167,2168,
igr2= 66, 67,2170,2171,
&end
#
# 30 PRO HA 30 PRO HG- 4.50 (# 981:20 Unique 2.78, 3.83 A)
&rst
ixpk= 981, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 66, 67,
&end
#
# 30 PRO HD- 30 PRO HG- 2.80 (# 982:20 Unique 2.31, 2.61 A)
&rst
ixpk= 982, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 63, 64,
igr2= 66, 67,
&end
#
# 106 ARG HD+ 106 ARG HG- 6.00 (# 984:20 Unique 2.33, 2.68 A)
&rst
ixpk= 984, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1319,1320,
igr2=1316,1317,
&end
#
# 138 ARG HA 138 ARG HG+ 3.50 (# 985:20 Unique 2.23, 3.33 A)
&rst
ixpk= 985, nxpk= 20, iat=1838, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1843,1844,
&end
#
# 138 ARG HD+ 138 ARG HG+ 2.80 (# 986:20 Unique 2.25, 2.71 A)
&rst
ixpk= 986, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1846,1847,
igr2=1843,1844,
&end
#
# 135 ASP HB+ 138 ARG HG- 4.50 (# 987:20 Unique 2.26, 3.91 A)
&rst
ixpk= 987, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1791,1792,
igr2=1843,1844,
&end
#
# 106 ARG HD- 106 ARG HG+ 4.50 (# 988:20 Unique 2.33, 2.68 A)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1319,1320,
igr2=1316,1317,
&end
#
# 106 ARG HD+ 106 ARG HG+ 6.00 (# 989:20 Preassigned 2.33, 2.68 A)
&rst
ixpk= 989, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1319,1320,
igr2=1316,1317,
&end
#
# 138 ARG HA 138 ARG HG- 3.50 (# 990:20 Unique 2.23, 3.33 A)
&rst
ixpk= 990, nxpk= 20, iat=1838, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1843,1844,
&end
#
# 149 ARG HA 0 AMB 20-1:991 3.50 (# 991:20 Single Ambig)
&rst
ixpk= 991, nxpk= 20, iat=2001, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=2006,2007,2006,2007,
&end
#
# 0 AMB 20-2:992 148 LEU HG 6.00 (# 992:20 Single Ambig)
&rst
ixpk= 992, nxpk= 20, iat= -1,1987, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1970,1971,1970,1971,
&end
#
# 101 ARG HA 114 LEU HG 4.50 (# 993:20 Unique 3.08, 3.83 A)
&rst
ixpk= 993, nxpk= 20, iat=1213,1465, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 49 ASP HB- 59 LEU HG 4.50 (# 994:20 Unique 2.52, 3.61 A)
&rst
ixpk= 994, nxpk= 20, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 404, 405,
&end
#
# 0 AMB 20-2:995 59 LEU HG 4.50 (# 995:20 Single Ambig)
&rst
ixpk= 995, nxpk= 20, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 481, 482, 454, 455,
&end
#
# 109 PRO HD+ 109 PRO HG+ 4.50 (# 996:20 Unique 2.32, 2.61 A)
&rst
ixpk= 996, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1364,1365,
igr2=1367,1368,
&end
#
# 109 PRO HA 109 PRO HG- 4.50 (# 997:20 Unique 2.92, 3.93 A)
&rst
ixpk= 997, nxpk= 20, iat=1373, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1367,1368,
&end
#
# 88 PRO HD- 0 AMB 20-1:998 2.80 (# 998:20 Single Ambig)
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1022,1023,
igr2=1025,1026, 981, 982,
&end
#
# 0 AMB 20-2:999 0 AMB 20-1:999 4.50 (# 999:20 Double Ambig)
&rst
ixpk= 999, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 473,1007,
igr2= 467, 468, 981, 982,
&end
#
# 53 PRO HD+ 53 PRO HG- 3.50 (# 1000:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1000, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 464, 465,
igr2= 467, 468,
&end
#
# 61 VAL HA 85 PRO HG- 8.00 (# 1001:20 Unique 6.62, 7.83 A)
&rst
ixpk= 1001, nxpk= 20, iat= 590, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 981, 982,
&end
#
# 0 AMB 20-2:1002 0 AMB 20-1:1002 2.80 (# 1002:20 Double Ambig)
&rst
ixpk= 1002, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1846,1847, 86, 87,
igr2=1843,1844, 83, 84,
&end
#
# 0 AMB 20-2:1003 0 AMB 20-1:1003 3.50 (# 1003:20 Double Ambig)
&rst
ixpk= 1003, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1076, 78,
igr2=1081, 83, 84,
&end
#
# 149 ARG HD- 0 AMB 20-1:1004 2.80 (# 1004:20 Single Ambig)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2009,2010,
igr2=2006,2007,2006,2007,
&end
#
# 0 AMB 20-2:1005 0 AMB 20-1:1005 4.50 (# 1005:20 Double Ambig)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1908, 78,
igr2=2006,2007,2006,2007, 83, 84,
&end
#
# 0 AMB 20-2:1006 0 AMB 20-1:1006 2.80 (# 1006:20 Double Ambig)
&rst
ixpk= 1006, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 31, 32, 86, 87,
igr2= 28, 29, 83, 84,
&end
#
# 28 ARG HA 28 ARG HG- 4.50 (# 1007:20 Unique 2.44, 3.10 A)
&rst
ixpk= 1007, nxpk= 20, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 28, 29,
&end
#
# 72 ILE HA 72 ILE HG1- 4.50 (# 1008:20 Unique 2.56, 2.83 A)
&rst
ixpk= 1008, nxpk= 20, iat= 749, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 757, 758,
&end
#
# 72 ILE HA 72 ILE HG1+ 4.50 (# 1009:20 Unique 2.56, 2.83 A)
&rst
ixpk= 1009, nxpk= 20, iat= 749, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 757, 758,
&end
#
# 109 PRO HA 109 PRO HG+ 6.00 (# 1010:20 Unique 2.92, 3.93 A)
&rst
ixpk= 1010, nxpk= 20, iat=1373, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1367,1368,
&end
#
# 109 PRO HD- 109 PRO HG+ 4.50 (# 1011:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1011, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1364,1365,
igr2=1367,1368,
&end
#
# 109 PRO HD- 109 PRO HG- 6.00 (# 1012:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1012, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1364,1365,
igr2=1367,1368,
&end
#
# 0 AMB 20-2:1013 0 AMB 20-1:1013 3.50 (# 1013:20 Double Ambig)
&rst
ixpk= 1013, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 978, 979,1022,1023,
igr2= 981, 982,1025,1026,
&end
#
# 88 PRO HD+ 88 PRO HG+ 4.50 (# 1014:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1014, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1022,1023,
igr2=1025,1026,
&end
#
# 162 LEU HA 162 LEU HG 4.50 (# 1015:20 Unique 2.32, 3.11 A)
&rst
ixpk= 1015, nxpk= 20, iat=2211,2216, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1016 43 LEU HG 4.50 (# 1016:20 Single Ambig)
&rst
ixpk= 1016, nxpk= 20, iat= -1, 288, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1346, 283,
&end
#
# 40 VAL HA 43 LEU HG 4.50 (# 1017:20 Unique 3.73, 3.94 A)
&rst
ixpk= 1017, nxpk= 20, iat= 234, 288, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 107 CYS HB+ 43 LEU HG 6.00 (# 1018:20 Unique 3.16, 3.97 A)
&rst
ixpk= 1018, nxpk= 20, iat= -1, 288, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1337,1338,
&end
#
# 107 CYS HB- 43 LEU HG 6.00 (# 1019:20 Unique 3.16, 3.97 A)
&rst
ixpk= 1019, nxpk= 20, iat= -1, 288, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1337,1338,
&end
#
# 0 AMB 20-2:1021 100 LEU MDY 4.50 (# 1021:20 Single Ambig)
&rst
ixpk= 1021, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1194,1157,1158,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 97 GLY HA- 100 LEU MDY 4.50 (# 1022:20 Unique 2.26, 5.55 A)
&rst
ixpk= 1022, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1157,1158,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 104 LEU HA 104 LEU MDX 4.50 (# 1023:20 Unique 2.16, 3.88 A)
&rst
ixpk= 1023, nxpk= 20, iat=1275, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 157 LEU HA 157 LEU HG 4.50 (# 1024:20 Unique 2.87, 3.14 A)
&rst
ixpk= 1024, nxpk= 20, iat=2134,2139, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 103 LYS HE- 103 LYS HG+ 6.00 (# 1025:20 Unique 2.34, 2.92 A)
&rst
ixpk= 1025, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1264,1265,
igr2=1258,1259,
&end
#
# 103 LYS HE+ 103 LYS HG- 6.00 (# 1026:20 Unique 2.34, 2.92 A)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1264,1265,
igr2=1258,1259,
&end
#
# 103 LYS HA 103 LYS HG- 6.00 (# 1027:20 Unique 2.29, 3.04 A)
&rst
ixpk= 1027, nxpk= 20, iat=1253, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1258,1259,
&end
#
# 56 LEU HA 56 LEU HG 6.00 (# 1028:20 Unique 2.44, 2.81 A)
&rst
ixpk= 1028, nxpk= 20, iat= 507, 512, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 95 LEU HA 98 LEU MDY 4.50 (# 1029:20 Unique 2.23, 4.65 A)
&rst
ixpk= 1029, nxpk= 20, iat=1119, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1171,1172,1173,1175,1176,1177,
&end
#
# 139 VAL HA 98 LEU MDY 6.00 (# 1030:20 Unique 2.22, 4.05 A)
&rst
ixpk= 1030, nxpk= 20, iat=1862, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1171,1172,1173,1175,1176,1177,
&end
#
# 111 LYS HA 111 LYS HG+ 6.00 (# 1032:20 Unique 2.36, 3.04 A)
&rst
ixpk= 1032, nxpk= 20, iat=1399, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1404,1405,
&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= 5.56, r4= 6.31,
igr1=1410,1411,1791,1792,
igr2=1404,1405,1722,1723,
&end
#
# 131 LYS HA 131 LYS HG+ 4.50 (# 1034:20 Unique 2.32, 2.86 A)
&rst
ixpk= 1034, nxpk= 20, iat=1717, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1722,1723,
&end
#
# 52 LYS HA 52 LYS HG+ 4.50 (# 1035:20 Unique 2.34, 3.53 A)
&rst
ixpk= 1035, nxpk= 20, iat= 443, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 448, 449,
&end
#
# 111 LYS HA 111 LYS HG- 4.50 (# 1036:20 Unique 2.36, 3.04 A)
&rst
ixpk= 1036, nxpk= 20, iat=1399, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1404,1405,
&end
#
# 131 LYS HA 131 LYS HG- 4.50 (# 1037:20 Unique 2.32, 2.86 A)
&rst
ixpk= 1037, nxpk= 20, iat=1717, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1722,1723,
&end
#
# 0 AMB 20-2:1038 0 AMB 20-1:1038 2.80 (# 1038:20 Double Ambig)
&rst
ixpk= 1038, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 454, 455,1410,1411,1449,1450,
igr2= 448, 449,1404,1405,1443,1444,
&end
#
# 52 LYS HA 52 LYS HG- 4.50 (# 1039:20 Unique 2.34, 3.53 A)
&rst
ixpk= 1039, nxpk= 20, iat= 443, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 448, 449,
&end
#
# 130 ASN HA 133 ILE HG1- 6.00 (# 1040:20 Unique 2.08, 2.83 A)
&rst
ixpk= 1040, nxpk= 20, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1764,1765,
&end
#
# 41 TYR HA 44 ILE HG1+ 6.00 (# 1041:20 Unique 2.10, 2.71 A)
&rst
ixpk= 1041, nxpk= 20, iat= 250, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 310, 311,
&end
#
# 113 LYS HA 113 LYS HG- 4.50 (# 1042:20 Unique 2.38, 2.85 A)
&rst
ixpk= 1042, nxpk= 20, iat=1438, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1443,1444,
&end
#
# 0 AMB 20-2:1043 113 LYS HG- 4.50 (# 1043:20 Single Ambig)
&rst
ixpk= 1043, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1449,1450,1449,1450,
igr2=1443,1444,
&end
#
# 41 TYR HA 44 ILE HG1- 4.50 (# 1044:20 Unique 2.10, 2.71 A)
&rst
ixpk= 1044, nxpk= 20, iat= 250, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 310, 311,
&end
#
# 36 LYS HA 36 LYS HG+ 3.50 (# 1045:20 Unique 2.65, 3.49 A)
&rst
ixpk= 1045, nxpk= 20, iat= 168, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 173, 174,
&end
#
# 0 AMB 20-2:1046 0 AMB 20-1:1046 2.80 (# 1046:20 Double Ambig)
&rst
ixpk= 1046, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1898, 168,
igr2=1989,1990,1991,1993,1994,1995, 173, 174,
&end
#
# 145 ASN HB+ 148 LEU MDX 4.50 (# 1047:20 Unique 2.35, 5.03 A)
&rst
ixpk= 1047, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1942,1943,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 145 ASN HB- 148 LEU MDX 4.50 (# 1048:20 Unique 2.35, 5.03 A)
&rst
ixpk= 1048, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1942,1943,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 0 AMB 20-2:1049 95 LEU MDY 4.50 (# 1049:20 Single Ambig)
&rst
ixpk= 1049, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1076,1065,
igr2=1126,1127,1128,1130,1131,1132,
&end
#
# 0 AMB 20-2:1053 162 LEU MDX 6.00 (# 1053:20 Single Ambig)
&rst
ixpk= 1053, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1=2167,2168,2167,2168,
igr2=2218,2219,2220,2222,2223,2224,
&end
#
# 136 LYS HA 136 LYS HG+ 6.00 (# 1054:20 Unique 2.39, 3.19 A)
&rst
ixpk= 1054, nxpk= 20, iat=1801, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1806,1807,
&end
#
# 0 AMB 20-2:1055 0 AMB 20-1:1055 3.50 (# 1055:20 Double Ambig)
&rst
ixpk= 1055, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1812,1813,1812,1813,
igr2=1806,1807,1806,1807,
&end
#
# 136 LYS HA 136 LYS HG- 6.00 (# 1056:20 Unique 2.39, 3.19 A)
&rst
ixpk= 1056, nxpk= 20, iat=1801, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1806,1807,
&end
#
# 92 LEU HA 92 LEU MDX 4.50 (# 1057:20 Unique 2.15, 3.81 A)
&rst
ixpk= 1057, nxpk= 20, iat=1076, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1083,1084,1085,1087,1088,1089,
&end
#
# 50 PRO HD- 92 LEU MDX 4.50 (# 1058:20 Unique 2.32, 5.64 A)
&rst
ixpk= 1058, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 413, 414,
igr2=1083,1084,1085,1087,1088,1089,
&end
#
# 44 ILE HA 100 LEU MDX 6.00 (# 1061:20 Unique 3.73, 6.23 A)
&rst
ixpk= 1061, nxpk= 20, iat= 302, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 0 AMB 20-2:1062 100 LEU MDX 3.50 (# 1062:20 Single Ambig)
&rst
ixpk= 1062, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1194,1157,1158,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 108 LEU HA 108 LEU MDX 4.50 (# 1063:20 Unique 2.17, 3.90 A)
&rst
ixpk= 1063, nxpk= 20, iat=1346, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 109 PRO HD- 108 LEU MDX 4.50 (# 1064:20 Unique 2.20, 5.33 A)
&rst
ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1364,1365,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 104 LEU HA 108 LEU MDX 6.00 (# 1065:20 Unique 2.24, 4.92 A)
&rst
ixpk= 1065, nxpk= 20, iat=1275, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 109 PRO HD+ 108 LEU MDX 6.00 (# 1066:20 Unique 2.20, 5.33 A)
&rst
ixpk= 1066, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1364,1365,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 40 VAL HA 108 LEU MDX 4.50 (# 1067:20 Unique 2.48, 5.00 A)
&rst
ixpk= 1067, nxpk= 20, iat= 234, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 92 LEU HA 92 LEU MDY 4.50 (# 1068:20 Unique 2.15, 3.81 A)
&rst
ixpk= 1068, nxpk= 20, iat=1076, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1083,1084,1085,1087,1088,1089,
&end
#
# 108 LEU HA 108 LEU MDY 3.50 (# 1069:20 Unique 2.17, 3.90 A)
&rst
ixpk= 1069, nxpk= 20, iat=1346, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 109 PRO HD+ 108 LEU MDY 4.50 (# 1070:20 Unique 2.20, 5.33 A)
&rst
ixpk= 1070, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1364,1365,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 104 LEU HA 108 LEU MDY 6.00 (# 1071:20 Unique 2.24, 4.92 A)
&rst
ixpk= 1071, nxpk= 20, iat=1275, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 40 VAL HA 108 LEU MDY 4.50 (# 1072:20 Unique 2.48, 5.00 A)
&rst
ixpk= 1072, nxpk= 20, iat= 234, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 109 PRO HD- 108 LEU MDY 4.50 (# 1073:20 Unique 2.20, 5.33 A)
&rst
ixpk= 1073, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1364,1365,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:1074 104 LEU MDY 6.00 (# 1074:20 Single Ambig)
&rst
ixpk= 1074, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 302, 283,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 104 LEU HA 104 LEU MDY 3.50 (# 1075:20 Unique 2.16, 3.88 A)
&rst
ixpk= 1075, nxpk= 20, iat=1275, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 40 VAL HA 104 LEU MDY 4.50 (# 1076:20 Unique 2.53, 4.59 A)
&rst
ixpk= 1076, nxpk= 20, iat= 234, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 107 CYS HB+ 43 LEU MDY 3.50 (# 1078:20 Unique 2.09, 3.71 A)
&rst
ixpk= 1078, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1337,1338,
igr2= 290, 291, 292, 294, 295, 296,
&end
#
# 43 LEU HA 43 LEU MDY 2.80 (# 1079:20 Preassigned 2.12, 3.35 A)
&rst
ixpk= 1079, nxpk= 20, iat= 283, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 290, 291, 292, 294, 295, 296,
&end
#
# 0 AMB 20-2:1080 86 THR MG2 6.00 (# 1080:20 Single Ambig)
&rst
ixpk= 1080, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 987, 402,
igr2= 997, 998, 999,
&end
#
# 86 THR HB 86 THR MG2 2.80 (# 1081:20 Unique 2.36, 2.66 A)
&rst
ixpk= 1081, nxpk= 20, iat= 995, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 997, 998, 999,
&end
#
# 86 THR HA 86 THR MG2 3.50 (# 1082:20 Unique 2.27, 3.02 A)
&rst
ixpk= 1082, nxpk= 20, iat= 993, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 997, 998, 999,
&end
#
# 52 LYS HE- 86 THR MG2 6.00 (# 1083:20 Unique 2.69, 6.79 A)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 454, 455,
igr2= 997, 998, 999,
&end
#
# 37 ALA HA 40 VAL MGY 4.50 (# 1084:20 Unique 3.55, 4.50 A)
&rst
ixpk= 1084, nxpk= 20, iat= 190, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 238, 239, 240, 242, 243, 244,
&end
#
# 40 VAL HA 40 VAL MGY 3.50 (# 1085:20 Unique 2.44, 3.17 A)
&rst
ixpk= 1085, nxpk= 20, iat= 234, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 238, 239, 240, 242, 243, 244,
&end
#
# 102 VAL HA 102 VAL MGY 2.80 (# 1086:20 Unique 2.40, 3.16 A)
&rst
ixpk= 1086, nxpk= 20, iat=1237, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1241,1242,1243,1245,1246,1247,
&end
#
# 0 AMB 20-2:1087 152 VAL MGY 6.00 (# 1087:20 Single Ambig)
&rst
ixpk= 1087, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=2075,1164,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 149 ARG HA 152 VAL MGY 3.50 (# 1089:20 Unique 3.66, 4.68 A)
&rst
ixpk= 1089, nxpk= 20, iat=2001, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 152 VAL HA 152 VAL MGY 2.80 (# 1090:20 Unique 2.42, 3.16 A)
&rst
ixpk= 1090, nxpk= 20, iat=2059, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 148 LEU HA 152 VAL MGY 6.00 (# 1091:20 Unique 3.69, 6.21 A)
&rst
ixpk= 1091, nxpk= 20, iat=1982, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 38 LEU HA 38 LEU MDY 3.50 (# 1092:20 Unique 2.20, 3.89 A)
&rst
ixpk= 1092, nxpk= 20, iat= 200, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 0 AMB 20-2:1093 0 AMB 20-1:1093 6.00 (# 1093:20 Double Ambig)
&rst
ixpk= 1093, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1=1164, 250,
igr2=1866,1867,1868,1870,1871,1872, 238, 239, 240, 242,
243, 244,
&end
#
# 40 VAL HA 40 VAL MGX 4.50 (# 1094:20 Unique 2.44, 3.17 A)
&rst
ixpk= 1094, nxpk= 20, iat= 234, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 238, 239, 240, 242, 243, 244,
&end
#
# 56 LEU HA 61 VAL MGY 4.50 (# 1095:20 Unique 2.40, 4.49 A)
&rst
ixpk= 1095, nxpk= 20, iat= 507, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 61 VAL HA 61 VAL MGY 2.80 (# 1096:20 Unique 2.35, 3.25 A)
&rst
ixpk= 1096, nxpk= 20, iat= 590, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 83 PHE HB- 61 VAL MGX 4.50 (# 1097:20 Unique 2.41, 5.34 A)
&rst
ixpk= 1097, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 947, 948,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 139 VAL HA 139 VAL MGY 2.80 (# 1098:20 Unique 2.41, 3.16 A)
&rst
ixpk= 1098, nxpk= 20, iat=1862, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1866,1867,1868,1870,1871,1872,
&end
#
# 136 LYS HA 139 VAL MGY 4.50 (# 1099:20 Unique 3.40, 4.50 A)
&rst
ixpk= 1099, nxpk= 20, iat=1801, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1866,1867,1868,1870,1871,1872,
&end
#
# 41 TYR HA 67 VAL MGY 4.50 (# 1100:20 Unique 2.20, 4.19 A)
&rst
ixpk= 1100, nxpk= 20, iat= 250, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 0 AMB 20-2:1101 69 VAL MGX 4.50 (# 1101:20 Single Ambig)
&rst
ixpk= 1101, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 126, 127, 829, 830,
igr2= 705, 706, 707, 709, 710, 711,
&end
#
# 37 ALA HA 67 VAL MGX 2.80 (# 1102:20 Unique 2.27, 4.26 A)
&rst
ixpk= 1102, nxpk= 20, iat= 190, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 87 VAL HA 87 VAL MGY 3.50 (# 1103:20 Unique 2.32, 3.54 A)
&rst
ixpk= 1103, nxpk= 20, iat=1007, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 37 ALA HA 69 VAL MGX 3.50 (# 1104:20 Unique 2.16, 4.43 A)
&rst
ixpk= 1104, nxpk= 20, iat= 190, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 705, 706, 707, 709, 710, 711,
&end
#
# 125 THR HA 125 THR MG2 3.50 (# 1105:20 Unique 2.35, 3.22 A)
&rst
ixpk= 1105, nxpk= 20, iat=1628, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1632,1633,1634,
&end
#
# 125 THR HB 125 THR MG2 2.80 (# 1106:20 Unique 2.40, 2.67 A)
&rst
ixpk= 1106, nxpk= 20, iat=1630, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1632,1633,1634,
&end
#
# 124 SER HB+ 125 THR MG2 6.00 (# 1107:20 Unique 2.79, 5.77 A)
&rst
ixpk= 1107, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1619,1620,
igr2=1632,1633,1634,
&end
#
# 128 ASP HB- 125 THR MG2 6.00 (# 1108:20 Unique 2.30, 5.38 A)
&rst
ixpk= 1108, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1674,1675,
igr2=1632,1633,1634,
&end
#
# 129 ILE HA 94 THR MG2 6.00 (# 1109:20 Unique 2.43, 4.17 A)
&rst
ixpk= 1109, nxpk= 20, iat=1684, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1109,1110,1111,
&end
#
# 122 THR HB 122 THR MG2 2.80 (# 1110:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1110, nxpk= 20, iat=1588, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1590,1591,1592,
&end
#
# 156 VAL HA 156 VAL MGY 3.50 (# 1112:20 Unique 2.31, 3.46 A)
&rst
ixpk= 1112, nxpk= 20, iat=2118, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2122,2123,2124,2126,2127,2128,
&end
#
# 99 CYS HB+ 156 VAL MGY 6.00 (# 1113:20 Unique 2.31, 5.71 A)
&rst
ixpk= 1113, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1185,1186,
igr2=2122,2123,2124,2126,2127,2128,
&end
#
# 83 PHE HB- 62 VAL MGY 6.00 (# 1114:20 Unique 2.43, 5.46 A)
&rst
ixpk= 1114, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 947, 948,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 0 AMB 20-2:1115 84 THR MG2 6.00 (# 1115:20 Single Ambig)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1555,1556,1555,1556,
igr2= 969, 970, 971,
&end
#
# 85 PRO HD+ 84 THR MG2 4.50 (# 1116:20 Unique 2.13, 4.18 A)
&rst
ixpk= 1116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 978, 979,
igr2= 969, 970, 971,
&end
#
# 0 AMB 20-2:1117 0 AMB 20-1:1117 2.80 (# 1117:20 Double Ambig)
&rst
ixpk= 1117, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 345, 967,
igr2= 497, 498, 499, 969, 970, 971,
&end
#
# 94 THR HB 94 THR MG2 2.80 (# 1118:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1118, nxpk= 20, iat=1107, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1109,1110,1111,
&end
#
# 95 LEU HA 94 THR MG2 6.00 (# 1119:20 Unique 3.61, 5.85 A)
&rst
ixpk= 1119, nxpk= 20, iat=1119, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1109,1110,1111,
&end
#
# 94 THR HA 94 THR MG2 3.50 (# 1120:20 Unique 2.35, 3.05 A)
&rst
ixpk= 1120, nxpk= 20, iat=1105, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1109,1110,1111,
&end
#
# 59 LEU HA 59 LEU MDY 2.80 (# 1121:20 Unique 2.17, 3.35 A)
&rst
ixpk= 1121, nxpk= 20, iat= 556, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 563, 564, 565, 567, 568, 569,
&end
#
# 0 AMB 20-2:1122 59 LEU MDY 3.50 (# 1122:20 Single Ambig)
&rst
ixpk= 1122, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 454, 455, 454, 455,
igr2= 563, 564, 565, 567, 568, 569,
&end
#
# 153 GLU HA 152 VAL MGX 4.50 (# 1123:20 Unique 3.23, 5.65 A)
&rst
ixpk= 1123, nxpk= 20, iat=2075, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 99 CYS HA 152 VAL MGX 3.50 (# 1124:20 Unique 2.14, 4.02 A)
&rst
ixpk= 1124, nxpk= 20, iat=1183, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 152 VAL HA 152 VAL MGX 4.50 (# 1125:20 Unique 2.42, 3.16 A)
&rst
ixpk= 1125, nxpk= 20, iat=2059, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 0 AMB 20-2:1126 79 VAL MGX 4.50 (# 1126:20 Single Ambig)
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1423,1424,1423,1424,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 0 AMB 20-2:1127 139 VAL MGX 4.50 (# 1127:20 Single Ambig)
&rst
ixpk= 1127, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1878,1739,
igr2=1866,1867,1868,1870,1871,1872,
&end
#
# 136 LYS HA 139 VAL MGX 4.50 (# 1128:20 Unique 3.40, 4.50 A)
&rst
ixpk= 1128, nxpk= 20, iat=1801, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1866,1867,1868,1870,1871,1872,
&end
#
# 139 VAL HA 139 VAL MGX 2.80 (# 1129:20 Unique 2.41, 3.16 A)
&rst
ixpk= 1129, nxpk= 20, iat=1862, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1866,1867,1868,1870,1871,1872,
&end
#
# 143 MET HG- 139 VAL MGX 4.50 (# 1130:20 Unique 2.91, 5.39 A)
&rst
ixpk= 1130, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1913,1914,
igr2=1866,1867,1868,1870,1871,1872,
&end
#
# 101 ARG HD+ 139 VAL MGX 6.00 (# 1131:20 Unique 2.32, 4.47 A)
&rst
ixpk= 1131, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1221,1222,
igr2=1866,1867,1868,1870,1871,1872,
&end
#
# 102 VAL HA 102 VAL MGX 3.50 (# 1132:20 Unique 2.40, 3.16 A)
&rst
ixpk= 1132, nxpk= 20, iat=1237, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1241,1242,1243,1245,1246,1247,
&end
#
# 49 ASP HA 56 LEU MDX 4.50 (# 1133:20 Unique 2.23, 4.19 A)
&rst
ixpk= 1133, nxpk= 20, iat= 402, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 56 LEU HA 56 LEU MDX 2.80 (# 1134:20 Unique 2.22, 3.91 A)
&rst
ixpk= 1134, nxpk= 20, iat= 507, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 88 PRO HD- 87 VAL MGX 6.00 (# 1138:20 Unique 2.12, 4.82 A)
&rst
ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1022,1023,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 89 HIS HB+ 87 VAL MGX 4.50 (# 1139:20 Unique 2.45, 5.47 A)
&rst
ixpk= 1139, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1039,1040,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 87 VAL HA 87 VAL MGX 4.50 (# 1141:20 Unique 2.32, 3.54 A)
&rst
ixpk= 1141, nxpk= 20, iat=1007, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 143 MET HA 142 ALA MB 4.50 (# 1142:20 Unique 4.58, 5.13 A)
&rst
ixpk= 1142, nxpk= 20, iat=1908, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1900,1901,1902,
&end
#
# 139 VAL HA 142 ALA MB 3.50 (# 1143:20 Unique 2.63, 3.71 A)
&rst
ixpk= 1143, nxpk= 20, iat=1862, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1900,1901,1902,
&end
#
# 33 MET HA 33 MET ME 4.50 (# 1144:20 Unique 2.09, 3.91 A)
&rst
ixpk= 1144, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 130, 131, 132,
&end
#
# 32 ILE HA 33 MET ME 4.50 (# 1145:20 Unique 3.27, 5.20 A)
&rst
ixpk= 1145, nxpk= 20, iat= 102, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 130, 131, 132,
&end
#
# 31 ARG HD+ 33 MET ME 6.00 (# 1146:20 Unique 2.54, 6.66 A)
&rst
ixpk= 1146, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 86, 87,
igr2= 130, 131, 132,
&end
#
# 0 AMB 20-2:1147 33 MET ME 3.50 (# 1147:20 Single Ambig)
&rst
ixpk= 1147, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 126, 127, 829, 830,
igr2= 130, 131, 132,
&end
#
# 142 ALA HA 142 ALA MB 2.80 (# 1148:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1148, nxpk= 20, iat=1898, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1900,1901,1902,
&end
#
# 130 ASN HA 133 ILE QG2 6.00 (# 1149:20 Unique 4.00, 5.00 A)
&rst
ixpk= 1149, nxpk= 20, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1760,1761,1762,
&end
#
# 151 ILE HA 151 ILE QG2 2.80 (# 1150:20 Unique 2.43, 3.17 A)
&rst
ixpk= 1150, nxpk= 20, iat=2040, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=2044,2045,2046,
&end
#
# 152 VAL HA 151 ILE QG2 6.00 (# 1151:20 Unique 3.23, 4.54 A)
&rst
ixpk= 1151, nxpk= 20, iat=2059, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=2044,2045,2046,
&end
#
# 156 VAL HA 156 VAL MGX 4.50 (# 1152:20 Unique 2.31, 3.46 A)
&rst
ixpk= 1152, nxpk= 20, iat=2118, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=2122,2123,2124,2126,2127,2128,
&end
#
# 153 GLU HA 156 VAL MGX 2.80 (# 1153:20 Unique 2.05, 4.00 A)
&rst
ixpk= 1153, nxpk= 20, iat=2075, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=2122,2123,2124,2126,2127,2128,
&end
#
# 100 LEU HA 44 ILE QG2 6.00 (# 1154:20 Unique 2.62, 4.06 A)
&rst
ixpk= 1154, nxpk= 20, iat=1194, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 306, 307, 308,
&end
#
# 140 ALA HA 140 ALA MB 2.80 (# 1155:20 Unique 2.46, 2.66 A)
&rst
ixpk= 1155, nxpk= 20, iat=1878, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1880,1881,1882,
&end
#
# 32 ILE HA 32 ILE QG2 3.50 (# 1156:20 Unique 2.48, 3.28 A)
&rst
ixpk= 1156, nxpk= 20, iat= 102, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 106, 107, 108,
&end
#
# 34 GLU HA 32 ILE QG2 4.50 (# 1157:20 Unique 3.04, 4.24 A)
&rst
ixpk= 1157, nxpk= 20, iat= 138, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 106, 107, 108,
&end
#
# 68 GLU HA 37 ALA MB 6.00 (# 1160:20 Unique 2.66, 3.56 A)
&rst
ixpk= 1160, nxpk= 20, iat= 686, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 192, 193, 194,
&end
#
# 37 ALA HA 37 ALA MB 2.80 (# 1161:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1161, nxpk= 20, iat= 190, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 192, 193, 194,
&end
#
# 129 ILE HA 129 ILE QG2 4.50 (# 1163:20 Unique 2.39, 3.10 A)
&rst
ixpk= 1163, nxpk= 20, iat=1684, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1688,1689,1690,
&end
#
# 57 GLU HA 62 VAL MGX 4.50 (# 1164:20 Unique 2.77, 5.14 A)
&rst
ixpk= 1164, nxpk= 20, iat= 526, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 0 AMB 20-2:1165 62 VAL MGX 6.00 (# 1165:20 Single Ambig)
&rst
ixpk= 1165, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1= 507, 624, 625, 575,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 45 ARG HA 62 VAL MGX 4.50 (# 1166:20 Unique 2.23, 4.25 A)
&rst
ixpk= 1166, nxpk= 20, iat= 321, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 0 AMB 20-2:1168 118 ILE QG2 3.50 (# 1168:20 Single Ambig)
&rst
ixpk= 1168, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1534,1642,
igr2=1538,1539,1540,
&end
#
# 85 PRO HD+ 118 ILE QG2 6.00 (# 1169:20 Unique 2.38, 6.07 A)
&rst
ixpk= 1169, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 978, 979,
igr2=1538,1539,1540,
&end
#
# 85 PRO HD- 118 ILE QG2 6.00 (# 1170:20 Unique 2.38, 6.07 A)
&rst
ixpk= 1170, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 978, 979,
igr2=1538,1539,1540,
&end
#
# 99 CYS HB+ 47 ILE QG2 4.50 (# 1172:20 Unique 2.24, 3.48 A)
&rst
ixpk= 1172, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1185,1186,
igr2= 363, 364, 365,
&end
#
# 155 CYS HB- 47 ILE QG2 4.50 (# 1173:20 Unique 2.35, 4.29 A)
&rst
ixpk= 1173, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2109,2110,
igr2= 363, 364, 365,
&end
#
# 155 CYS HA 47 ILE QG2 6.00 (# 1174:20 Unique 3.32, 4.94 A)
&rst
ixpk= 1174, nxpk= 20, iat=2107, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 363, 364, 365,
&end
#
# 47 ILE HA 47 ILE QG2 4.50 (# 1175:20 Unique 2.66, 3.29 A)
&rst
ixpk= 1175, nxpk= 20, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 363, 364, 365,
&end
#
# 96 ILE HA 96 ILE QG2 3.50 (# 1178:20 Unique 2.61, 3.30 A)
&rst
ixpk= 1178, nxpk= 20, iat=1138, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1142,1143,1144,
&end
#
# 143 MET HA 143 MET ME 4.50 (# 1179:20 Unique 2.06, 3.17 A)
&rst
ixpk= 1179, nxpk= 20, iat=1908, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1917,1918,1919,
&end
#
# 0 AMB 20-2:1180 143 MET ME 6.00 (# 1180:20 Single Ambig)
&rst
ixpk= 1180, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1=2075,1164,2025,
igr2=1917,1918,1919,
&end
#
# 149 ARG HA 143 MET ME 4.50 (# 1181:20 Unique 2.35, 3.17 A)
&rst
ixpk= 1181, nxpk= 20, iat=2001, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1917,1918,1919,
&end
#
# 149 ARG HD+ 143 MET ME 4.50 (# 1182:20 Unique 3.30, 5.63 A)
&rst
ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2009,2010,
igr2=1917,1918,1919,
&end
#
# 143 MET HG- 143 MET ME 3.50 (# 1183:20 Unique 2.47, 3.63 A)
&rst
ixpk= 1183, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1913,1914,
igr2=1917,1918,1919,
&end
#
# 97 GLY HA- 116 ILE QD1 6.00 (# 1185:20 Unique 2.47, 4.94 A)
&rst
ixpk= 1185, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1157,1158,
igr2=1505,1506,1507,
&end
#
# 101 ARG HA 116 ILE QD1 6.00 (# 1186:20 Unique 2.22, 3.62 A)
&rst
ixpk= 1186, nxpk= 20, iat=1213, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1505,1506,1507,
&end
#
# 130 ASN HA 133 ILE QD1 4.50 (# 1187:20 Unique 2.37, 3.39 A)
&rst
ixpk= 1187, nxpk= 20, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1767,1768,1769,
&end
#
# 97 GLY HA+ 133 ILE QD1 4.50 (# 1188:20 Unique 2.10, 3.90 A)
&rst
ixpk= 1188, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1157,1158,
igr2=1767,1768,1769,
&end
#
# 0 AMB 20-2:1190 133 ILE QD1 6.00 (# 1190:20 Single Ambig)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1756,1717,
igr2=1767,1768,1769,
&end
#
# 103 LYS HA 47 ILE QD1 6.00 (# 1191:20 Unique 4.94, 5.91 A)
&rst
ixpk= 1191, nxpk= 20, iat=1253, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 370, 371, 372,
&end
#
# 100 LEU HA 47 ILE QD1 3.50 (# 1192:20 Unique 2.15, 2.83 A)
&rst
ixpk= 1192, nxpk= 20, iat=1194, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 370, 371, 372,
&end
#
# 41 TYR HA 44 ILE QD1 4.50 (# 1193:20 Unique 2.62, 3.63 A)
&rst
ixpk= 1193, nxpk= 20, iat= 250, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 313, 314, 315,
&end
#
# 0 AMB 20-2:1194 118 ILE QD1 4.50 (# 1194:20 Single Ambig)
&rst
ixpk= 1194, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1642,1534,
igr2=1545,1546,1547,
&end
#
# 50 PRO HD- 96 ILE QD1 6.00 (# 1195:20 Unique 2.72, 4.29 A)
&rst
ixpk= 1195, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 413, 414,
igr2=1149,1150,1151,
&end
#
# 96 ILE HA 96 ILE QD1 4.50 (# 1196:20 Unique 4.54, 4.66 A)
&rst
ixpk= 1196, nxpk= 20, iat=1138, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1149,1150,1151,
&end
#
# 85 PRO HA 96 ILE QD1 4.50 (# 1197:20 Unique 2.45, 3.40 A)
&rst
ixpk= 1197, nxpk= 20, iat= 987, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1149,1150,1151,
&end
#
# 93 ALA HA 96 ILE QD1 4.50 (# 1198:20 Unique 2.21, 3.65 A)
&rst
ixpk= 1198, nxpk= 20, iat=1095, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1149,1150,1151,
&end
#
# 148 LEU HA 151 ILE QD1 3.50 (# 1199:20 Unique 2.49, 3.80 A)
&rst
ixpk= 1199, nxpk= 20, iat=1982, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=2051,2052,2053,
&end
#
# 151 ILE HA 151 ILE QD1 4.50 (# 1200:20 Unique 4.58, 4.71 A)
&rst
ixpk= 1200, nxpk= 20, iat=2040, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2051,2052,2053,
&end
#
# 72 ILE HA 72 ILE QD1 4.50 (# 1202:20 Unique 4.49, 4.73 A)
&rst
ixpk= 1202, nxpk= 20, iat= 749, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 760, 761, 762,
&end
#
# 113 LYS HE+ 72 ILE QD1 4.50 (# 1203:20 Unique 2.08, 3.96 A)
&rst
ixpk= 1203, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1449,1450,
igr2= 760, 761, 762,
&end
#
# 126 GLU HA 129 ILE QD1 4.50 (# 1204:20 Unique 2.20, 4.13 A)
&rst
ixpk= 1204, nxpk= 20, iat=1642, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1695,1696,1697,
&end
#
# 108 LEU HG 108 LEU HB- 6.00 (# 1206:20 Unique 2.39, 2.76 A)
&rst
ixpk= 1206, nxpk= 20, iat=1351, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1348,1349,
&end
#
# 36 LYS HE- 36 LYS HD+ 6.00 (# 1207:20 Unique 2.36, 2.75 A)
&rst
ixpk= 1207, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 179, 180,
igr2= 176, 177,
&end
#
# 36 LYS HG- 36 LYS HD+ 6.00 (# 1208:20 Unique 2.27, 2.73 A)
&rst
ixpk= 1208, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 173, 174,
igr2= 176, 177,
&end
#
# 36 LYS HE- 36 LYS HD- 6.00 (# 1210:20 Unique 2.36, 2.75 A)
&rst
ixpk= 1210, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 179, 180,
igr2= 176, 177,
&end
#
# 36 LYS HG+ 36 LYS HD- 6.00 (# 1211:20 Unique 2.27, 2.73 A)
&rst
ixpk= 1211, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 173, 174,
igr2= 176, 177,
&end
#
# 43 LEU HB+ 43 LEU HG 4.50 (# 1212:20 Unique 2.35, 2.43 A)
&rst
ixpk= 1212, nxpk= 20, iat= -1, 288, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 285, 286,
&end
#
# 61 VAL MGX 100 LEU MDY 6.00 (# 1213:20 Unique 3.66, 7.79 A)
&rst
ixpk= 1213, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1= 594, 595, 596, 598, 599, 600,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 100 LEU HB- 100 LEU MDY 4.50 (# 1214:20 Unique 2.37, 3.35 A)
&rst
ixpk= 1214, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1196,1197,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 0 AMB 20-2:1215 100 LEU MDY 2.80 (# 1215:20 Single Ambig)
&rst
ixpk= 1215, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
igr1= 370, 371, 372, 313, 314, 315, 514, 515, 516, 518,
519, 520,1505,1506,1507, 913, 914, 915,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 114 LEU MDY 104 LEU MDX 6.00 (# 1216:20 Unique 2.20, 5.28 A)
&rst
ixpk= 1216, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1=1467,1468,1469,1471,1472,1473,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 100 LEU HG 100 LEU MDY 3.50 (# 1217:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1217, nxpk= 20, iat=1199, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 81 ILE HG1- 104 LEU MDX 6.00 (# 1219:20 Unique 2.47, 5.26 A)
&rst
ixpk= 1219, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 910, 911,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 0 AMB 20-2:1220 104 LEU MDX 2.80 (# 1220:20 Single Ambig)
&rst
ixpk= 1220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1280,1462,1463,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 103 LYS HG- 104 LEU MDX 4.50 (# 1221:20 Unique 3.92, 6.82 A)
&rst
ixpk= 1221, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1258,1259,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 79 VAL MGX 104 LEU MDX 3.50 (# 1222:20 Unique 2.62, 5.83 A)
&rst
ixpk= 1222, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 871, 872, 873, 875, 876, 877,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 0 AMB 20-2:1223 56 LEU HG 4.50 (# 1223:20 Single Ambig)
&rst
ixpk= 1223, nxpk= 20, iat= -1, 512, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 361, 558, 559,
&end
#
# 100 LEU HB- 100 LEU MDX 4.50 (# 1224:20 Unique 2.37, 3.35 A)
&rst
ixpk= 1224, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1196,1197,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 0 AMB 20-2:1225 100 LEU MDX 3.50 (# 1225:20 Single Ambig)
&rst
ixpk= 1225, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 304,1280,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 0 AMB 20-2:1226 100 LEU MDX 3.50 (# 1226:20 Single Ambig)
&rst
ixpk= 1226, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1199, 310, 311,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 44 ILE HG1- 100 LEU MDX 4.50 (# 1227:20 Unique 2.47, 5.93 A)
&rst
ixpk= 1227, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 310, 311,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 0 AMB 20-2:1228 100 LEU MDX 2.80 (# 1228:20 Single Ambig)
&rst
ixpk= 1228, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
igr1= 370, 371, 372, 313, 314, 315, 514, 515, 516, 518,
519, 520,1505,1506,1507, 913, 914, 915,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 0 AMB 20-2:1229 108 LEU MDX 6.00 (# 1229:20 Single Ambig)
&rst
ixpk= 1229, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1=1367,1368, 221, 222,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:1230 108 LEU MDX 2.80 (# 1230:20 Single Ambig)
&rst
ixpk= 1230, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.79, r4= 6.54,
igr1=1282,1283,1284,1286,1287,1288,1282,1283,1284,1286,
1287,1288, 288,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:1231 108 LEU MDY 6.00 (# 1231:20 Single Ambig)
&rst
ixpk= 1231, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1=1367,1368, 221, 222,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 104 LEU HB+ 108 LEU MDX 4.50 (# 1232:20 Unique 2.30, 5.49 A)
&rst
ixpk= 1232, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1277,1278,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:1233 108 LEU MDX 4.50 (# 1233:20 Single Ambig)
&rst
ixpk= 1233, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1348,1349,1467,1468,1469,1471,1472,1473,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 40 VAL MGY 108 LEU MDX 2.80 (# 1234:20 Unique 2.34, 5.60 A)
&rst
ixpk= 1234, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 238, 239, 240, 242, 243, 244,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:1235 108 LEU MDX 2.80 (# 1235:20 Single Ambig)
&rst
ixpk= 1235, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.79, r4= 6.54,
igr1= 238, 239, 240, 242, 243, 244,1351, 871, 872, 873,
875, 876, 877,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 40 VAL MGY 108 LEU MDY 2.80 (# 1236:20 Unique 2.34, 5.60 A)
&rst
ixpk= 1236, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 238, 239, 240, 242, 243, 244,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:1237 108 LEU MDY 2.80 (# 1237:20 Single Ambig)
&rst
ixpk= 1237, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.79, r4= 6.54,
igr1= 238, 239, 240, 242, 243, 244,1351, 871, 872, 873,
875, 876, 877,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:1238 108 LEU MDY 2.80 (# 1238:20 Single Ambig)
&rst
ixpk= 1238, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.79, r4= 6.54,
igr1=1282,1283,1284,1286,1287,1288,1282,1283,1284,1286,
1287,1288, 288,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 104 LEU HB+ 108 LEU MDY 6.00 (# 1239:20 Unique 2.30, 5.49 A)
&rst
ixpk= 1239, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1277,1278,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 108 LEU HB+ 108 LEU MDY 4.50 (# 1240:20 Unique 2.32, 3.33 A)
&rst
ixpk= 1240, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1348,1349,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 43 LEU HB+ 104 LEU MDY 4.50 (# 1242:20 Unique 2.35, 4.84 A)
&rst
ixpk= 1242, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 285, 286,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 0 AMB 20-2:1243 104 LEU MDY 2.80 (# 1243:20 Single Ambig)
&rst
ixpk= 1243, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1280,1462,1463,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 108 LEU HB+ 104 LEU MDY 4.50 (# 1244:20 Unique 2.29, 6.09 A)
&rst
ixpk= 1244, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1348,1349,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 104 LEU HB- 104 LEU MDY 3.50 (# 1245:20 Unique 2.33, 3.30 A)
&rst
ixpk= 1245, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1277,1278,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 62 VAL HB 62 VAL MGX 3.50 (# 1246:20 Unique 2.38, 2.66 A)
&rst
ixpk= 1246, nxpk= 20, iat= 608, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 0 AMB 20-2:1247 62 VAL MGX 4.50 (# 1247:20 Single Ambig)
&rst
ixpk= 1247, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 528, 529, 592,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 0 AMB 20-2:1248 62 VAL MGX 4.50 (# 1248:20 Single Ambig)
&rst
ixpk= 1248, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 509, 510, 304,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 0 AMB 20-2:1249 62 VAL MGX 4.50 (# 1249:20 Single Ambig)
&rst
ixpk= 1249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 310, 311, 323, 324,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 56 LEU HB+ 62 VAL MGX 4.50 (# 1250:20 Unique 2.16, 4.09 A)
&rst
ixpk= 1250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 509, 510,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 0 AMB 20-2:1251 62 VAL MGX 4.50 (# 1251:20 Single Ambig)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 594, 595, 596, 598, 599, 600, 310, 311,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 0 AMB 20-2:1254 118 ILE QG2 4.50 (# 1254:20 Single Ambig)
&rst
ixpk= 1254, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1647,1648,1647,1648,
igr2=1538,1539,1540,
&end
#
# 126 GLU HB- 118 ILE QG2 6.00 (# 1255:20 Unique 2.40, 4.64 A)
&rst
ixpk= 1255, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1644,1645,
igr2=1538,1539,1540,
&end
#
# 118 ILE HB 118 ILE QG2 3.50 (# 1257:20 Unique 2.37, 2.65 A)
&rst
ixpk= 1257, nxpk= 20, iat=1536, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1538,1539,1540,
&end
#
# 118 ILE HG1- 118 ILE QG2 3.50 (# 1258:20 Unique 2.24, 3.55 A)
&rst
ixpk= 1258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1542,1543,
igr2=1538,1539,1540,
&end
#
# 0 AMB 20-2:1259 118 ILE QG2 2.80 (# 1259:20 Single Ambig)
&rst
ixpk= 1259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1=1542,1543,1767,1768,1769,
igr2=1538,1539,1540,
&end
#
# 96 ILE HG1- 96 ILE QG2 4.50 (# 1260:20 Unique 2.39, 3.49 A)
&rst
ixpk= 1260, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1146,1147,
igr2=1142,1143,1144,
&end
#
# 61 VAL MGX 96 ILE QG2 3.50 (# 1261:20 Unique 2.32, 4.74 A)
&rst
ixpk= 1261, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 594, 595, 596, 598, 599, 600,
igr2=1142,1143,1144,
&end
#
# 96 ILE QD1 96 ILE QG2 2.80 (# 1262:20 Unique 2.23, 3.83 A)
&rst
ixpk= 1262, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1149,1150,1151,
igr2=1142,1143,1144,
&end
#
# 56 LEU MDX 96 ILE QG2 2.80 (# 1263:20 Unique 2.20, 4.44 A)
&rst
ixpk= 1263, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 514, 515, 516, 518, 519, 520,
igr2=1142,1143,1144,
&end
#
# 0 AMB 20-2:1264 118 ILE QD1 6.00 (# 1264:20 Single Ambig)
&rst
ixpk= 1264, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1644,1645,1566,1567,
igr2=1545,1546,1547,
&end
#
# 0 AMB 20-2:1266 118 ILE QD1 3.50 (# 1266:20 Single Ambig)
&rst
ixpk= 1266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1097,1098,1099,1536,1692,1693,
igr2=1545,1546,1547,
&end
#
# 118 ILE HG1+ 118 ILE QD1 3.50 (# 1267:20 Unique 2.27, 2.66 A)
&rst
ixpk= 1267, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1542,1543,
igr2=1545,1546,1547,
&end
#
# 118 ILE HG1- 118 ILE QD1 3.50 (# 1268:20 Unique 2.27, 2.66 A)
&rst
ixpk= 1268, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1542,1543,
igr2=1545,1546,1547,
&end
#
# 129 ILE HB 129 ILE QD1 4.50 (# 1269:20 Unique 2.41, 3.41 A)
&rst
ixpk= 1269, nxpk= 20, iat=1686, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1695,1696,1697,
&end
#
# 0 AMB 20-2:1270 129 ILE QD1 3.50 (# 1270:20 Single Ambig)
&rst
ixpk= 1270, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1=1097,1098,1099,1692,1693,
igr2=1695,1696,1697,
&end
#
# 0 AMB 20-2:1271 129 ILE QD1 3.50 (# 1271:20 Single Ambig)
&rst
ixpk= 1271, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1=1590,1591,1592,1692,1693,
igr2=1695,1696,1697,
&end
#
# 129 ILE QG2 129 ILE QD1 3.50 (# 1272:20 Unique 2.19, 3.82 A)
&rst
ixpk= 1272, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1688,1689,1690,
igr2=1695,1696,1697,
&end
#
# 62 VAL MGX 56 LEU HB- 4.50 (# 1273:20 Unique 2.16, 4.09 A)
&rst
ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 610, 611, 612, 614, 615, 616,
igr2= 509, 510,
&end
#
# 108 LEU MDX 108 LEU HB+ 4.50 (# 1275:20 Unique 2.32, 3.33 A)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1353,1354,1355,1357,1358,1359,
igr2=1348,1349,
&end
#
# 108 LEU MDY 108 LEU HB+ 4.50 (# 1276:20 Unique 2.32, 3.33 A)
&rst
ixpk= 1276, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1353,1354,1355,1357,1358,1359,
igr2=1348,1349,
&end
#
# 108 LEU MDX 104 LEU HB- 6.00 (# 1277:20 Unique 2.30, 5.49 A)
&rst
ixpk= 1277, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1353,1354,1355,1357,1358,1359,
igr2=1277,1278,
&end
#
# 118 ILE QD1 118 ILE HB 4.50 (# 1278:20 Unique 2.35, 3.42 A)
&rst
ixpk= 1278, nxpk= 20, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1545,1546,1547,
&end
#
# 129 ILE QD1 129 ILE HB 4.50 (# 1279:20 Unique 2.41, 3.41 A)
&rst
ixpk= 1279, nxpk= 20, iat= -1,1686, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1695,1696,1697,
&end
#
# 96 ILE QG2 96 ILE HB 3.50 (# 1280:20 Unique 2.42, 2.67 A)
&rst
ixpk= 1280, nxpk= 20, iat= -1,1140, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1142,1143,1144,
&end
#
# 129 ILE QD1 129 ILE HG1- 4.50 (# 1281:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1281, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1695,1696,1697,
igr2=1692,1693,
&end
#
# 129 ILE QD1 129 ILE HG1+ 4.50 (# 1282:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1282, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1695,1696,1697,
igr2=1692,1693,
&end
#
# 118 ILE QD1 118 ILE HG1- 4.50 (# 1283:20 Unique 2.27, 2.66 A)
&rst
ixpk= 1283, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1545,1546,1547,
igr2=1542,1543,
&end
#
# 100 LEU MDY 100 LEU HG 4.50 (# 1284:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1284, nxpk= 20, iat= -1,1199, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1201,1202,1203,1205,1206,1207,
&end
#
# 45 ARG HB- 45 ARG HG+ 4.50 (# 1285:20 Unique 2.38, 2.77 A)
&rst
ixpk= 1285, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 323, 324,
igr2= 326, 327,
&end
#
# 0 AMB 20-2:1286 44 ILE HG1- 6.00 (# 1286:20 Single Ambig)
&rst
ixpk= 1286, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1= 610, 611, 612, 614, 615, 616,1201,1202,1203,1205,
1206,1207,
igr2= 310, 311,
&end
#
# 36 LYS HD- 36 LYS HG+ 6.00 (# 1287:20 Unique 2.27, 2.73 A)
&rst
ixpk= 1287, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 176, 177,
igr2= 173, 174,
&end
#
# 108 LEU MDY 40 VAL MGY 3.50 (# 1288:20 Unique 2.34, 5.60 A)
&rst
ixpk= 1288, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1353,1354,1355,1357,1358,1359,
igr2= 238, 239, 240, 242, 243, 244,
&end
#
# 96 ILE QG2 61 VAL MGX 3.50 (# 1289:20 Unique 2.32, 4.74 A)
&rst
ixpk= 1289, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1142,1143,1144,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 62 VAL MGX 61 VAL MGX 4.50 (# 1290:20 Unique 2.19, 6.35 A)
&rst
ixpk= 1290, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 610, 611, 612, 614, 615, 616,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 108 LEU MDY 79 VAL MGX 4.50 (# 1291:20 Unique 2.62, 6.25 A)
&rst
ixpk= 1291, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1353,1354,1355,1357,1358,1359,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 108 LEU MDX 79 VAL MGX 4.50 (# 1292:20 Unique 2.62, 6.25 A)
&rst
ixpk= 1292, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1353,1354,1355,1357,1358,1359,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 129 ILE QD1 93 ALA MB 4.50 (# 1293:20 Unique 2.26, 4.16 A)
&rst
ixpk= 1293, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1695,1696,1697,
igr2=1097,1098,1099,
&end
#
# 118 ILE QD1 93 ALA MB 3.50 (# 1294:20 Unique 2.27, 4.01 A)
&rst
ixpk= 1294, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1545,1546,1547,
igr2=1097,1098,1099,
&end
#
# 0 AMB 20-2:1296 0 AMB 20-1:1296 4.50 (# 1296:20 Double Ambig)
&rst
ixpk= 1296, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 445, 446, 451, 452,
igr2= 481, 482, 481, 482,
&end
#
# 59 LEU MDY 54 ASN HB+ 4.50 (# 1297:20 Unique 2.26, 4.25 A)
&rst
ixpk= 1297, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 563, 564, 565, 567, 568, 569,
igr2= 481, 482,
&end
#
# 0 AMB 20-2:1298 0 AMB 20-1:1298 4.50 (# 1298:20 Double Ambig)
&rst
ixpk= 1298, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 326, 327, 323, 324,
igr2= 329, 330, 329, 330,
&end
#
# 45 ARG HG- 45 ARG HD+ 4.50 (# 1299:20 Unique 2.38, 2.71 A)
&rst
ixpk= 1299, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 326, 327,
igr2= 329, 330,
&end
#
# 45 ARG HB- 45 ARG HD+ 6.00 (# 1300:20 Unique 2.43, 2.97 A)
&rst
ixpk= 1300, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 323, 324,
igr2= 329, 330,
&end
#
# 45 ARG HG- 45 ARG HD- 6.00 (# 1301:20 Unique 2.38, 2.71 A)
&rst
ixpk= 1301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 326, 327,
igr2= 329, 330,
&end
#
# 45 ARG HB- 45 ARG HD- 6.00 (# 1302:20 Unique 2.43, 2.97 A)
&rst
ixpk= 1302, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 323, 324,
igr2= 329, 330,
&end
#
# 0 AMB 20-2:1303 45 ARG HD- 4.50 (# 1303:20 Single Ambig)
&rst
ixpk= 1303, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 326, 327, 323, 324,
igr2= 329, 330,
&end
#
# 0 AMB 20-2:1304 0 AMB 20-1:1304 3.50 (# 1304:20 Double Ambig)
&rst
ixpk= 1304, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1316,1317,1313,1314,1313,1314,
igr2=1319,1320,1319,1320,1319,1320,
&end
#
# 102 VAL MGX 106 ARG HD+ 6.00 (# 1305:20 Unique 2.32, 5.65 A)
&rst
ixpk= 1305, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1241,1242,1243,1245,1246,1247,
igr2=1319,1320,
&end
#
# 0 AMB 20-2:1306 48 ARG HD- 2.80 (# 1306:20 Single Ambig)
&rst
ixpk= 1306, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 383, 384, 380, 381,
igr2= 386, 387,
&end
#
# 106 ARG HG+ 106 ARG HD- 3.50 (# 1307:20 Unique 2.33, 2.68 A)
&rst
ixpk= 1307, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1316,1317,
igr2=1319,1320,
&end
#
# 102 VAL MGX 106 ARG HD- 4.50 (# 1308:20 Unique 2.32, 5.65 A)
&rst
ixpk= 1308, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1241,1242,1243,1245,1246,1247,
igr2=1319,1320,
&end
#
# 106 ARG HG+ 106 ARG HD+ 6.00 (# 1309:20 Unique 2.33, 2.68 A)
&rst
ixpk= 1309, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1316,1317,
igr2=1319,1320,
&end
#
# 0 AMB 20-2:1310 0 AMB 20-1:1310 2.80 (# 1310:20 Double Ambig)
&rst
ixpk= 1310, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 383, 384, 380, 381,
igr2= 386, 387, 386, 387,
&end
#
# 0 AMB 20-2:1311 0 AMB 20-1:1311 2.80 (# 1311:20 Double Ambig)
&rst
ixpk= 1311, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=2173,2174, 383, 384, 380, 381,
igr2= 386, 387, 386, 387, 386, 387,
&end
#
# 0 AMB 20-2:1312 0 AMB 20-1:1312 6.00 (# 1312:20 Double Ambig)
&rst
ixpk= 1312, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1=1215,1216,1215,1216,1462,1463,
igr2=1221,1222,1221,1222,1221,1222,
&end
#
# 101 ARG HG+ 101 ARG HD+ 6.00 (# 1313:20 Unique 2.37, 2.74 A)
&rst
ixpk= 1313, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1218,1219,
igr2=1221,1222,
&end
#
# 116 ILE HB 101 ARG HD+ 6.00 (# 1314:20 Unique 3.78, 5.92 A)
&rst
ixpk= 1314, nxpk= 20, iat=1496, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1221,1222,
&end
#
# 0 AMB 20-2:1315 0 AMB 20-1:1315 4.50 (# 1315:20 Double Ambig)
&rst
ixpk= 1315, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.30, r4=10.05,
igr1=1467,1468,1469,1471,1472,1473,1465,1171,1172,1173,
1175,1176,1177,
igr2=1221,1222,1221,1222,1221,1222,
&end
#
# 0 AMB 20-2:1317 117 TYR HB- 6.00 (# 1317:20 Single Ambig)
&rst
ixpk= 1317, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 926, 927, 923, 924,
igr2=1515,1516,
&end
#
# 103 LYS HG- 103 LYS HE+ 4.50 (# 1319:20 Unique 2.34, 2.92 A)
&rst
ixpk= 1319, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1258,1259,
igr2=1264,1265,
&end
#
# 43 LEU MDY 103 LYS HE+ 3.50 (# 1320:20 Unique 2.15, 4.78 A)
&rst
ixpk= 1320, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 290, 291, 292, 294, 295, 296,
igr2=1264,1265,
&end
#
# 138 ARG HB- 135 ASP HB+ 3.50 (# 1321:20 Preassigned 2.31, 4.11 A)
&rst
ixpk= 1321, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1840,1841,
igr2=1791,1792,
&end
#
# 0 AMB 20-2:1322 0 AMB 20-1:1322 2.80 (# 1322:20 Double Ambig)
&rst
ixpk= 1322, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
igr1=1440,1441,1446,1447,1446,1447,1404,1405,
igr2=1449,1450,1410,1411,
&end
#
# 0 AMB 20-2:1323 0 AMB 20-1:1323 3.50 (# 1323:20 Double Ambig)
&rst
ixpk= 1323, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1401,1402,1840,1841,
igr2=1410,1411,1791,1792,
&end
#
# 0 AMB 20-2:1324 0 AMB 20-1:1324 2.80 (# 1324:20 Double Ambig)
&rst
ixpk= 1324, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 448, 449,1404,1405,1806,1807,
igr2= 454, 455,1410,1411,1812,1813,1812,1813,
&end
#
# 0 AMB 20-2:1325 0 AMB 20-1:1325 3.50 (# 1325:20 Double Ambig)
&rst
ixpk= 1325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 760, 761, 762,1011,1012,1013,1015,1016,1017,
igr2=1449,1450, 454, 455,
&end
#
# 0 AMB 20-2:1326 0 AMB 20-1:1326 4.50 (# 1326:20 Double Ambig)
&rst
ixpk= 1326, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1443,1444, 850, 851,
igr2=1449,1450,1449,1450,
&end
#
# 138 ARG HB+ 135 ASP HB- 4.50 (# 1327:20 Unique 2.31, 4.11 A)
&rst
ixpk= 1327, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1840,1841,
igr2=1791,1792,
&end
#
# 138 ARG HB- 135 ASP HB- 6.00 (# 1328:20 Unique 2.31, 4.11 A)
&rst
ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1840,1841,
igr2=1791,1792,
&end
#
# 0 AMB 20-2:1329 135 ASP HB- 4.50 (# 1329:20 Single Ambig)
&rst
ixpk= 1329, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1725,1726,1725,1726,
igr2=1791,1792,
&end
#
# 61 VAL MGX 83 PHE HB- 6.00 (# 1331:20 Unique 2.41, 5.34 A)
&rst
ixpk= 1331, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 594, 595, 596, 598, 599, 600,
igr2= 947, 948,
&end
#
# 0 AMB 20-2:1332 0 AMB 20-1:1332 4.50 (# 1332:20 Double Ambig)
&rst
ixpk= 1332, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1803,1804, 430, 431,
igr2=1812,1813,1812,1813, 454, 455,
&end
#
# 0 AMB 20-2:1333 0 AMB 20-1:1333 4.50 (# 1333:20 Double Ambig)
&rst
ixpk= 1333, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 705, 706, 707, 709, 710, 711, 871, 872, 873, 875,
876, 877,
igr2= 829, 830, 829, 830,
&end
#
# 0 AMB 20-2:1334 0 AMB 20-1:1334 4.50 (# 1334:20 Double Ambig)
&rst
ixpk= 1334, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 814, 815, 814, 815,
igr2= 770, 771, 770, 771,
&end
#
# 76 GLU HB- 0 AMB 20-1:1335 4.50 (# 1335:20 Single Ambig)
&rst
ixpk= 1335, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 814, 815,
igr2= 770, 771, 770, 771,
&end
#
# 72 ILE QG2 0 AMB 20-1:1336 6.00 (# 1336:20 Single Ambig)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 753, 754, 755,
igr2= 770, 771, 770, 771,
&end
#
# 148 LEU HB- 145 ASN HB- 4.50 (# 1337:20 Unique 2.35, 4.01 A)
&rst
ixpk= 1337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1984,1985,
igr2=1942,1943,
&end
#
# 148 LEU MDX 145 ASN HB- 6.00 (# 1338:20 Unique 2.35, 5.03 A)
&rst
ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1989,1990,1991,1993,1994,1995,
igr2=1942,1943,
&end
#
# 0 AMB 20-2:1339 0 AMB 20-1:1339 4.50 (# 1339:20 Double Ambig)
&rst
ixpk= 1339, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.00, r4= 9.75,
igr1=1959,1960,1984,1985,2027,2028,2027,2028,
igr2=1970,1971,1970,1971,1970,1971,1970,1971,
&end
#
# 148 LEU MDY 0 AMB 20-1:1340 4.50 (# 1340:20 Single Ambig)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1989,1990,1991,1993,1994,1995,
igr2=1970,1971,1970,1971,
&end
#
# 79 VAL MGX 0 AMB 20-1:1341 4.50 (# 1341:20 Single Ambig)
&rst
ixpk= 1341, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 871, 872, 873, 875, 876, 877,
igr2=1423,1424,1423,1424,
&end
#
# 43 LEU MDY 107 CYS HB+ 4.50 (# 1342:20 Unique 2.09, 3.71 A)
&rst
ixpk= 1342, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 290, 291, 292, 294, 295, 296,
igr2=1337,1338,
&end
#
# 0 AMB 20-2:1343 0 AMB 20-1:1343 4.50 (# 1343:20 Double Ambig)
&rst
ixpk= 1343, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.30, r4=10.05,
igr1= 288,1282,1283,1284,1286,1287,1288,1282,1283,1284,
1286,1287,1288,
igr2=1337,1338,1337,1338,1337,1338,
&end
#
# 139 VAL HB 139 VAL HA 4.50 (# 1344:20 Unique 3.02, 3.03 A)
&rst
ixpk= 1344, nxpk= 20, iat=1864,1862, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 142 ALA MB 139 VAL HA 3.50 (# 1345:20 Unique 2.63, 3.71 A)
&rst
ixpk= 1345, nxpk= 20, iat= -1,1862, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1900,1901,1902,
&end
#
# 0 AMB 20-2:1346 139 VAL HA 2.80 (# 1346:20 Single Ambig)
&rst
ixpk= 1346, nxpk= 20, iat= -1,1862, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1171,1172,1173,1175,1176,1177,1866,1867,1868,1870,
1871,1872,
&end
#
# 152 VAL HB 152 VAL HA 4.50 (# 1347:20 Unique 3.02, 3.03 A)
&rst
ixpk= 1347, nxpk= 20, iat=2061,2059, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 105 GLN HG- 102 VAL HA 6.00 (# 1348:20 Unique 4.39, 5.07 A)
&rst
ixpk= 1348, nxpk= 20, iat= -1,1237, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1299,1300,
&end
#
# 105 GLN HB+ 102 VAL HA 4.50 (# 1349:20 Unique 2.26, 3.14 A)
&rst
ixpk= 1349, nxpk= 20, iat= -1,1237, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1296,1297,
&end
#
# 105 GLN HB- 102 VAL HA 4.50 (# 1350:20 Unique 2.26, 3.14 A)
&rst
ixpk= 1350, nxpk= 20, iat= -1,1237, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1296,1297,
&end
#
# 102 VAL HB 102 VAL HA 3.50 (# 1351:20 Unique 3.03, 3.03 A)
&rst
ixpk= 1351, nxpk= 20, iat=1239,1237, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 102 VAL MGY 102 VAL HA 2.80 (# 1352:20 Unique 2.40, 3.16 A)
&rst
ixpk= 1352, nxpk= 20, iat= -1,1237, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1241,1242,1243,1245,1246,1247,
&end
#
# 102 VAL MGX 102 VAL HA 2.80 (# 1353:20 Unique 2.40, 3.16 A)
&rst
ixpk= 1353, nxpk= 20, iat= -1,1237, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1241,1242,1243,1245,1246,1247,
&end
#
# 96 ILE HG1- 96 ILE HA 6.00 (# 1354:20 Unique 2.53, 2.68 A)
&rst
ixpk= 1354, nxpk= 20, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1146,1147,
&end
#
# 96 ILE HG1+ 96 ILE HA 4.50 (# 1355:20 Unique 2.53, 2.68 A)
&rst
ixpk= 1355, nxpk= 20, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1146,1147,
&end
#
# 108 LEU MDX 40 VAL HA 6.00 (# 1356:20 Unique 2.48, 5.00 A)
&rst
ixpk= 1356, nxpk= 20, iat= -1, 234, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 40 VAL HB 40 VAL HA 4.50 (# 1357:20 Unique 3.02, 3.03 A)
&rst
ixpk= 1357, nxpk= 20, iat= 236, 234, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 VAL MGY 40 VAL HA 2.80 (# 1358:20 Unique 2.44, 3.17 A)
&rst
ixpk= 1358, nxpk= 20, iat= -1, 234, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 238, 239, 240, 242, 243, 244,
&end
#
# 40 VAL MGX 40 VAL HA 2.80 (# 1359:20 Unique 2.44, 3.17 A)
&rst
ixpk= 1359, nxpk= 20, iat= -1, 234, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 238, 239, 240, 242, 243, 244,
&end
#
# 0 AMB 20-2:1360 40 VAL HA 3.50 (# 1360:20 Single Ambig)
&rst
ixpk= 1360, nxpk= 20, iat= -1, 234, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1282,1283,1284,1286,1287,1288,1282,1283,1284,1286,
1287,1288,
&end
#
# 108 LEU MDY 40 VAL HA 4.50 (# 1361:20 Unique 2.48, 5.00 A)
&rst
ixpk= 1361, nxpk= 20, iat= -1, 234, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 152 VAL MGY 152 VAL HA 2.80 (# 1362:20 Unique 2.42, 3.16 A)
&rst
ixpk= 1362, nxpk= 20, iat= -1,2059, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2063,2064,2065,2067,2068,2069,
&end
#
# 0 AMB 20-2:1363 152 VAL HA 2.80 (# 1363:20 Single Ambig)
&rst
ixpk= 1363, nxpk= 20, iat= -1,2059, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2063,2064,2065,2067,2068,2069,1126,1127,1128,1130,
1131,1132,
&end
#
# 0 AMB 20-2:1364 96 ILE HA 6.00 (# 1364:20 Single Ambig)
&rst
ixpk= 1364, nxpk= 20, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1140,1124,
&end
#
# 96 ILE QG2 96 ILE HA 4.50 (# 1366:20 Unique 2.61, 3.30 A)
&rst
ixpk= 1366, nxpk= 20, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1142,1143,1144,
&end
#
# 132 GLN HB+ 129 ILE HA 6.00 (# 1367:20 Unique 2.28, 3.48 A)
&rst
ixpk= 1367, nxpk= 20, iat= -1,1684, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1741,1742,
&end
#
# 129 ILE HB 129 ILE HA 4.50 (# 1368:20 Unique 3.02, 3.04 A)
&rst
ixpk= 1368, nxpk= 20, iat=1686,1684, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 129 ILE HG1- 129 ILE HA 4.50 (# 1369:20 Unique 2.25, 3.09 A)
&rst
ixpk= 1369, nxpk= 20, iat= -1,1684, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1692,1693,
&end
#
# 129 ILE QG2 129 ILE HA 4.50 (# 1370:20 Unique 2.39, 3.10 A)
&rst
ixpk= 1370, nxpk= 20, iat= -1,1684, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1688,1689,1690,
&end
#
# 129 ILE HG1+ 129 ILE HA 4.50 (# 1371:20 Unique 2.25, 3.09 A)
&rst
ixpk= 1371, nxpk= 20, iat= -1,1684, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1692,1693,
&end
#
# 129 ILE QD1 129 ILE HA 6.00 (# 1372:20 Unique 2.24, 4.16 A)
&rst
ixpk= 1372, nxpk= 20, iat= -1,1684, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1695,1696,1697,
&end
#
# 57 GLU HB- 45 ARG HA 6.00 (# 1373:20 Unique 2.85, 4.20 A)
&rst
ixpk= 1373, nxpk= 20, iat= -1, 321, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 528, 529,
&end
#
# 62 VAL MGX 45 ARG HA 2.80 (# 1374:20 Unique 2.23, 4.25 A)
&rst
ixpk= 1374, nxpk= 20, iat= -1, 321, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 610, 611, 612, 614, 615, 616,
&end
#
# 45 ARG HG- 45 ARG HA 6.00 (# 1375:20 Unique 2.46, 3.54 A)
&rst
ixpk= 1375, nxpk= 20, iat= -1, 321, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 326, 327,
&end
#
# 100 LEU HG 100 LEU HA 4.50 (# 1376:20 Unique 2.37, 3.27 A)
&rst
ixpk= 1376, nxpk= 20, iat=1199,1194, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 100 LEU MDY 100 LEU HA 6.00 (# 1377:20 Unique 2.18, 3.81 A)
&rst
ixpk= 1377, nxpk= 20, iat= -1,1194, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1201,1202,1203,1205,1206,1207,
&end
#
# 100 LEU HB- 100 LEU HA 6.00 (# 1378:20 Unique 2.38, 2.79 A)
&rst
ixpk= 1378, nxpk= 20, iat= -1,1194, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1196,1197,
&end
#
# 0 AMB 20-2:1379 100 LEU HA 4.50 (# 1379:20 Single Ambig)
&rst
ixpk= 1379, nxpk= 20, iat= -1,1194, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 304,1280, 367, 368, 367, 368,
&end
#
# 100 LEU MDX 100 LEU HA 2.80 (# 1380:20 Unique 2.18, 3.81 A)
&rst
ixpk= 1380, nxpk= 20, iat= -1,1194, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1201,1202,1203,1205,1206,1207,
&end
#
# 0 AMB 20-2:1381 45 ARG HA 4.50 (# 1381:20 Single Ambig)
&rst
ixpk= 1381, nxpk= 20, iat= -1, 321, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 323, 324, 326, 327,
&end
#
# 47 ILE QD1 100 LEU HA 2.80 (# 1382:20 Unique 2.15, 2.83 A)
&rst
ixpk= 1382, nxpk= 20, iat= -1,1194, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 370, 371, 372,
&end
#
# 30 PRO HB+ 30 PRO HD- 4.50 (# 1383:20 Unique 2.82, 3.68 A)
&rst
ixpk= 1383, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 69, 70,
igr2= 63, 64,
&end
#
# 0 AMB 20-2:1384 30 PRO HD- 2.80 (# 1384:20 Single Ambig)
&rst
ixpk= 1384, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 66, 67, 66, 67,
igr2= 63, 64,
&end
#
# 30 PRO HB- 30 PRO HD- 2.80 (# 1385:20 Unique 2.82, 3.68 A)
&rst
ixpk= 1385, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 69, 70,
igr2= 63, 64,
&end
#
# 56 LEU MDX 50 PRO HD- 4.50 (# 1386:20 Unique 2.65, 5.42 A)
&rst
ixpk= 1386, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 514, 515, 516, 518, 519, 520,
igr2= 413, 414,
&end
#
# 109 PRO HG+ 109 PRO HD- 4.50 (# 1387:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1387, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1367,1368,
igr2=1364,1365,
&end
#
# 109 PRO HG- 109 PRO HD- 4.50 (# 1388:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1388, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1367,1368,
igr2=1364,1365,
&end
#
# 108 LEU MDY 109 PRO HD- 6.00 (# 1389:20 Unique 2.20, 5.33 A)
&rst
ixpk= 1389, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1353,1354,1355,1357,1358,1359,
igr2=1364,1365,
&end
#
# 108 LEU MDX 109 PRO HD- 6.00 (# 1390:20 Unique 2.20, 5.33 A)
&rst
ixpk= 1390, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1353,1354,1355,1357,1358,1359,
igr2=1364,1365,
&end
#
# 0 AMB 20-2:1391 50 PRO HD- 2.80 (# 1391:20 Single Ambig)
&rst
ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1083,1084,1085,1087,1088,1089,1149,1150,1151,
igr2= 413, 414,
&end
#
# 0 AMB 20-2:1393 0 AMB 20-1:1393 6.00 (# 1393:20 Double Ambig)
&rst
ixpk= 1393, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1= 445, 446, 451, 452,
igr2= 464, 465, 464, 465,
&end
#
# 0 AMB 20-2:1394 0 AMB 20-1:1394 3.50 (# 1394:20 Double Ambig)
&rst
ixpk= 1394, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 467, 468, 470, 471, 981, 982,
igr2= 464, 465, 464, 465,1022,1023,
&end
#
# 0 AMB 20-2:1395 0 AMB 20-1:1395 2.80 (# 1395:20 Double Ambig)
&rst
ixpk= 1395, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 445, 446, 467, 468,
igr2= 464, 465, 464, 465,
&end
#
# 0 AMB 20-2:1396 0 AMB 20-1:1396 6.00 (# 1396:20 Double Ambig)
&rst
ixpk= 1396, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1=1028,1029,1028,1029, 470, 471,
igr2=1022,1023, 464, 465,
&end
#
# 0 AMB 20-2:1397 53 PRO HD- 4.50 (# 1397:20 Single Ambig)
&rst
ixpk= 1397, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 445, 446, 451, 452,
igr2= 464, 465,
&end
#
# 0 AMB 20-2:1398 53 PRO HD- 2.80 (# 1398:20 Single Ambig)
&rst
ixpk= 1398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 445, 446, 467, 468,
igr2= 464, 465,
&end
#
# 0 AMB 20-2:1399 0 AMB 20-1:1399 6.00 (# 1399:20 Double Ambig)
&rst
ixpk= 1399, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1=1028,1029,1028,1029, 470, 471,
igr2=1022,1023,1022,1023, 464, 465,
&end
#
# 0 AMB 20-2:1400 0 AMB 20-1:1400 2.80 (# 1400:20 Double Ambig)
&rst
ixpk= 1400, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 467, 468, 470, 471, 981, 982,
igr2= 464, 465,1022,1023,
&end
#
# 133 ILE QG2 97 GLY HA+ 6.00 (# 1402:20 Unique 2.16, 4.06 A)
&rst
ixpk= 1402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1760,1761,1762,
igr2=1157,1158,
&end
#
# 100 LEU MDY 97 GLY HA+ 6.00 (# 1403:20 Unique 2.26, 5.55 A)
&rst
ixpk= 1403, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1201,1202,1203,1205,1206,1207,
igr2=1157,1158,
&end
#
# 0 AMB 20-2:1404 0 AMB 20-1:1404 4.50 (# 1404:20 Double Ambig)
&rst
ixpk= 1404, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1767,1768,1769,1498,1499,1500,
igr2=1157,1158,1157,1158,
&end
#
# 0 AMB 20-2:1405 97 GLY HA- 4.50 (# 1405:20 Single Ambig)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1767,1768,1769,1498,1499,1500,
igr2=1157,1158,
&end
#
# 101 ARG HG+ 101 ARG HD- 6.00 (# 1406:20 Unique 2.37, 2.74 A)
&rst
ixpk= 1406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1218,1219,
igr2=1221,1222,
&end
#
# 0 AMB 20-2:1407 101 ARG HD- 6.00 (# 1407:20 Single Ambig)
&rst
ixpk= 1407, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1496,1764,1765,
igr2=1221,1222,
&end
#
# 0 AMB 20-2:1408 101 ARG HD- 4.50 (# 1408:20 Single Ambig)
&rst
ixpk= 1408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.75, r4= 8.50,
igr1=1467,1468,1469,1471,1472,1473,1465,1171,1172,1173,
1175,1176,1177,
igr2=1221,1222,
&end
#
# 0 AMB 20-2:1410 101 ARG HD- 6.00 (# 1410:20 Single Ambig)
&rst
ixpk= 1410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1215,1216,1215,1216,1462,1463,
igr2=1221,1222,
&end
#
# 0 AMB 20-2:1411 0 AMB 20-1:1411 4.50 (# 1411:20 Double Ambig)
&rst
ixpk= 1411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=2003,2004,1910,1911,
igr2=2009,2010,2009,2010,
&end
#
# 143 MET ME 149 ARG HD+ 4.50 (# 1412:20 Unique 3.30, 5.63 A)
&rst
ixpk= 1412, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1917,1918,1919,
igr2=2009,2010,
&end
#
# 149 ARG HB- 149 ARG HD+ 4.50 (# 1413:20 Unique 2.39, 3.19 A)
&rst
ixpk= 1413, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2003,2004,
igr2=2009,2010,
&end
#
# 0 AMB 20-2:1414 0 AMB 20-1:1414 2.80 (# 1414:20 Double Ambig)
&rst
ixpk= 1414, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=2006,2007,2006,2007,
igr2=2009,2010,2009,2010,
&end
#
# 0 AMB 20-2:1415 149 ARG HD- 4.50 (# 1415:20 Single Ambig)
&rst
ixpk= 1415, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=2003,2004,1910,1911,
igr2=2009,2010,
&end
#
# 0 AMB 20-2:1416 149 ARG HD- 2.80 (# 1416:20 Single Ambig)
&rst
ixpk= 1416, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2006,2007,2006,2007,
igr2=2009,2010,
&end
#
# 0 AMB 20-2:1417 0 AMB 20-1:1417 4.50 (# 1417:20 Double Ambig)
&rst
ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1927,1928,2003,2004,
igr2=1942,1943,1942,1943,
&end
#
# 148 LEU MDX 145 ASN HB+ 6.00 (# 1419:20 Unique 2.35, 5.03 A)
&rst
ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1989,1990,1991,1993,1994,1995,
igr2=1942,1943,
&end
#
# 0 AMB 20-2:1420 0 AMB 20-1:1420 6.00 (# 1420:20 Double Ambig)
&rst
ixpk= 1420, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.44, r4=12.19,
igr1=2122,2123,2124,2126,2127,2128,2063,2064,2065,2067,
2068,2069,
igr2=1185,1186,1185,1186,
&end
#
# 0 AMB 20-2:1423 84 THR HB 2.80 (# 1423:20 Single Ambig)
&rst
ixpk= 1423, nxpk= 20, iat= -1, 967, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 969, 970, 971, 594, 595, 596, 598, 599, 600,
&end
#
# 61 VAL MGY 86 THR HB 4.50 (# 1424:20 Unique 4.41, 6.46 A)
&rst
ixpk= 1424, nxpk= 20, iat= -1, 995, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 594, 595, 596, 598, 599, 600,
&end
#
# 122 THR MG2 122 THR HB 2.80 (# 1425:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1425, nxpk= 20, iat= -1,1588, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1590,1591,1592,
&end
#
# 0 AMB 20-2:1426 125 THR HB 4.50 (# 1426:20 Single Ambig)
&rst
ixpk= 1426, nxpk= 20, iat= -1,1630, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1674,1675,1674,1675,
&end
#
# 86 THR MG2 86 THR HB 2.80 (# 1427:20 Unique 2.36, 2.66 A)
&rst
ixpk= 1427, nxpk= 20, iat= -1, 995, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 997, 998, 999,
&end
#
# 87 VAL MGY 86 THR HB 4.50 (# 1428:20 Unique 3.32, 5.25 A)
&rst
ixpk= 1428, nxpk= 20, iat= -1, 995, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:1429 86 THR HB 6.00 (# 1429:20 Single Ambig)
&rst
ixpk= 1429, nxpk= 20, iat= -1, 995, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 563, 564, 565, 567, 568, 569,1011,1012,1013,1015,
1016,1017,
&end
#
# 125 THR MG2 125 THR HB 2.80 (# 1430:20 Unique 2.40, 2.67 A)
&rst
ixpk= 1430, nxpk= 20, iat= -1,1630, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1632,1633,1634,
&end
#
# 159 PRO HG+ 46 THR HB 6.00 (# 1431:20 Unique 3.06, 5.31 A)
&rst
ixpk= 1431, nxpk= 20, iat= -1, 347, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2170,2171,
&end
#
# 0 AMB 20-2:1432 46 THR HB 2.80 (# 1432:20 Single Ambig)
&rst
ixpk= 1432, nxpk= 20, iat= -1, 347, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 349, 350, 351, 497, 498, 499,
&end
#
# 94 THR MG2 94 THR HB 3.50 (# 1433:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1433, nxpk= 20, iat= -1,1107, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1109,1110,1111,
&end
#
# 0 AMB 20-2:1434 94 THR HA 4.50 (# 1434:20 Single Ambig)
&rst
ixpk= 1434, nxpk= 20, iat= -1,1105, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1692,1693,1097,1098,1099,
&end
#
# 94 THR MG2 94 THR HA 3.50 (# 1435:20 Unique 2.35, 3.05 A)
&rst
ixpk= 1435, nxpk= 20, iat= -1,1105, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1109,1110,1111,
&end
#
# 133 ILE QG2 94 THR HA 3.50 (# 1436:20 Unique 2.20, 2.57 A)
&rst
ixpk= 1436, nxpk= 20, iat= -1,1105, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1760,1761,1762,
&end
#
# 0 AMB 20-2:1437 94 THR HA 4.50 (# 1437:20 Single Ambig)
&rst
ixpk= 1437, nxpk= 20, iat= -1,1105, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1688,1689,1690,1171,1172,1173,1175,1176,1177,
&end
#
# 146 PRO HB+ 146 PRO HA 2.80 (# 1438:20 Unique 2.29, 2.57 A)
&rst
ixpk= 1438, nxpk= 20, iat= -1,1962, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1959,1960,
&end
#
# 149 ARG HB- 146 PRO HA 3.50 (# 1440:20 Unique 2.49, 3.23 A)
&rst
ixpk= 1440, nxpk= 20, iat= -1,1962, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2003,2004,
&end
#
# 0 AMB 20-2:1441 146 PRO HA 4.50 (# 1441:20 Single Ambig)
&rst
ixpk= 1441, nxpk= 20, iat= -1,1962, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2006,2007,2006,2007,
&end
#
# 50 PRO HB+ 50 PRO HA 2.80 (# 1442:20 Unique 2.32, 2.68 A)
&rst
ixpk= 1442, nxpk= 20, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 419, 420,
&end
#
# 0 AMB 20-2:1443 50 PRO HA 3.50 (# 1443:20 Single Ambig)
&rst
ixpk= 1443, nxpk= 20, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 416, 417, 416, 417,
&end
#
# 50 PRO HB- 50 PRO HA 3.50 (# 1444:20 Unique 2.32, 2.68 A)
&rst
ixpk= 1444, nxpk= 20, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 419, 420,
&end
#
# 151 ILE QG2 50 PRO HA 3.50 (# 1445:20 Unique 2.58, 3.32 A)
&rst
ixpk= 1445, nxpk= 20, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2044,2045,2046,
&end
#
# 0 AMB 20-2:1446 86 THR HA 6.00 (# 1446:20 Single Ambig)
&rst
ixpk= 1446, nxpk= 20, iat= -1, 993, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1= 594, 595, 596, 598, 599, 600, 969, 970, 971,
&end
#
# 154 GLN HB- 151 ILE HA 4.50 (# 1447:20 Unique 2.26, 3.58 A)
&rst
ixpk= 1447, nxpk= 20, iat= -1,2040, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2092,2093,
&end
#
# 86 THR MG2 86 THR HA 3.50 (# 1448:20 Unique 2.27, 3.02 A)
&rst
ixpk= 1448, nxpk= 20, iat= -1, 993, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 997, 998, 999,
&end
#
# 154 GLN HG- 151 ILE HA 6.00 (# 1449:20 Unique 3.22, 4.75 A)
&rst
ixpk= 1449, nxpk= 20, iat= -1,2040, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2095,2096,
&end
#
# 154 GLN HB+ 151 ILE HA 4.50 (# 1450:20 Unique 2.26, 3.58 A)
&rst
ixpk= 1450, nxpk= 20, iat= -1,2040, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2092,2093,
&end
#
# 151 ILE HB 151 ILE HA 4.50 (# 1451:20 Unique 3.04, 3.05 A)
&rst
ixpk= 1451, nxpk= 20, iat=2042,2040, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 151 ILE HG1- 151 ILE HA 4.50 (# 1452:20 Unique 2.60, 2.77 A)
&rst
ixpk= 1452, nxpk= 20, iat= -1,2040, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2048,2049,
&end
#
# 151 ILE HG1+ 151 ILE HA 3.50 (# 1453:20 Unique 2.60, 2.77 A)
&rst
ixpk= 1453, nxpk= 20, iat= -1,2040, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2048,2049,
&end
#
# 151 ILE QG2 151 ILE HA 2.80 (# 1454:20 Unique 2.43, 3.17 A)
&rst
ixpk= 1454, nxpk= 20, iat= -1,2040, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2044,2045,2046,
&end
#
# 99 CYS HB+ 99 CYS HA 4.50 (# 1455:20 Unique 2.38, 2.77 A)
&rst
ixpk= 1455, nxpk= 20, iat= -1,1183, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1185,1186,
&end
#
# 99 CYS HB- 99 CYS HA 4.50 (# 1456:20 Unique 2.38, 2.77 A)
&rst
ixpk= 1456, nxpk= 20, iat= -1,1183, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1185,1186,
&end
#
# 102 VAL HB 99 CYS HA 4.50 (# 1457:20 Unique 2.37, 2.69 A)
&rst
ixpk= 1457, nxpk= 20, iat=1239,1183, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1458 99 CYS HA 2.80 (# 1458:20 Single Ambig)
&rst
ixpk= 1458, nxpk= 20, iat= -1,1183, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2063,2064,2065,2067,2068,2069,2122,2123,2124,2126,
2127,2128,
&end
#
# 0 AMB 20-2:1459 99 CYS HA 3.50 (# 1459:20 Single Ambig)
&rst
ixpk= 1459, nxpk= 20, iat= -1,1183, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1241,1242,1243,1245,1246,1247, 370, 371, 372, 363,
364, 365,
&end
#
# 0 AMB 20-2:1460 159 PRO HA 6.00 (# 1460:20 Single Ambig)
&rst
ixpk= 1460, nxpk= 20, iat= -1,2176, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=2184,2185,2184,2185,
&end
#
# 162 LEU HG 159 PRO HA 6.00 (# 1461:20 Unique 3.33, 5.18 A)
&rst
ixpk= 1461, nxpk= 20, iat=2216,2176, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 162 LEU MDX 159 PRO HA 6.00 (# 1462:20 Unique 2.31, 6.18 A)
&rst
ixpk= 1462, nxpk= 20, iat= -1,2176, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=2218,2219,2220,2222,2223,2224,
&end
#
# 159 PRO HB+ 159 PRO HA 2.80 (# 1463:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1463, nxpk= 20, iat= -1,2176, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2173,2174,
&end
#
# 159 PRO HG+ 159 PRO HA 4.50 (# 1464:20 Unique 2.77, 3.77 A)
&rst
ixpk= 1464, nxpk= 20, iat= -1,2176, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2170,2171,
&end
#
# 0 AMB 20-2:1465 159 PRO HA 3.50 (# 1465:20 Single Ambig)
&rst
ixpk= 1465, nxpk= 20, iat= -1,2176, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2173,2174, 380, 381,
&end
#
# 109 PRO HB+ 109 PRO HA 3.50 (# 1466:20 Unique 2.30, 2.54 A)
&rst
ixpk= 1466, nxpk= 20, iat= -1,1373, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1370,1371,
&end
#
# 109 PRO HB- 109 PRO HA 2.80 (# 1467:20 Unique 2.30, 2.54 A)
&rst
ixpk= 1467, nxpk= 20, iat= -1,1373, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1370,1371,
&end
#
# 125 THR MG2 124 SER HB+ 6.00 (# 1468:20 Unique 2.79, 5.77 A)
&rst
ixpk= 1468, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1632,1633,1634,
igr2=1619,1620,
&end
#
# 61 VAL HB 61 VAL HA 4.50 (# 1469:20 Unique 2.38, 2.97 A)
&rst
ixpk= 1469, nxpk= 20, iat= 592, 590, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 VAL MGX 61 VAL HA 3.50 (# 1471:20 Unique 2.35, 3.25 A)
&rst
ixpk= 1471, nxpk= 20, iat= -1, 590, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 594, 595, 596, 598, 599, 600,
&end
#
# 30 PRO HB+ 30 PRO HA 2.80 (# 1472:20 Unique 2.30, 2.56 A)
&rst
ixpk= 1472, nxpk= 20, iat= -1, 72, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 69, 70,
&end
#
# 30 PRO HG- 30 PRO HA 3.50 (# 1473:20 Unique 2.78, 3.83 A)
&rst
ixpk= 1473, nxpk= 20, iat= -1, 72, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 66, 67,
&end
#
# 30 PRO HB- 30 PRO HA 3.50 (# 1474:20 Unique 2.30, 2.56 A)
&rst
ixpk= 1474, nxpk= 20, iat= -1, 72, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 69, 70,
&end
#
# 155 CYS HB- 155 CYS HA 4.50 (# 1475:20 Unique 2.36, 2.74 A)
&rst
ixpk= 1475, nxpk= 20, iat= -1,2107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2109,2110,
&end
#
# 48 ARG HB- 155 CYS HA 3.50 (# 1476:20 Unique 2.11, 2.84 A)
&rst
ixpk= 1476, nxpk= 20, iat= -1,2107, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 380, 381,
&end
#
# 154 GLN HB- 155 CYS HA 6.00 (# 1477:20 Unique 4.35, 4.62 A)
&rst
ixpk= 1477, nxpk= 20, iat= -1,2107, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2092,2093,
&end
#
# 0 AMB 20-2:1478 133 ILE HA 2.80 (# 1478:20 Single Ambig)
&rst
ixpk= 1478, nxpk= 20, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1758,1166,1167,
&end
#
# 103 LYS HD- 44 ILE HA 4.50 (# 1479:20 Unique 2.50, 4.39 A)
&rst
ixpk= 1479, nxpk= 20, iat= -1, 302, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1261,1262,
&end
#
# 72 ILE HG1+ 72 ILE HA 2.80 (# 1480:20 Unique 2.56, 2.83 A)
&rst
ixpk= 1480, nxpk= 20, iat= -1, 749, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 757, 758,
&end
#
# 72 ILE QG2 72 ILE HA 2.80 (# 1481:20 Unique 2.51, 3.16 A)
&rst
ixpk= 1481, nxpk= 20, iat= -1, 749, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 753, 754, 755,
&end
#
# 72 ILE HB 72 ILE HA 3.50 (# 1482:20 Unique 3.03, 3.04 A)
&rst
ixpk= 1482, nxpk= 20, iat= 751, 749, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 ILE HG1- 72 ILE HA 4.50 (# 1483:20 Unique 2.56, 2.83 A)
&rst
ixpk= 1483, nxpk= 20, iat= -1, 749, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 757, 758,
&end
#
# 85 PRO HB+ 85 PRO HA 4.50 (# 1484:20 Unique 2.31, 2.52 A)
&rst
ixpk= 1484, nxpk= 20, iat= -1, 987, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 984, 985,
&end
#
# 85 PRO HB- 85 PRO HA 4.50 (# 1485:20 Unique 2.31, 2.52 A)
&rst
ixpk= 1485, nxpk= 20, iat= -1, 987, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 984, 985,
&end
#
# 122 THR MG2 122 THR HA 3.50 (# 1487:20 Unique 2.38, 3.55 A)
&rst
ixpk= 1487, nxpk= 20, iat= -1,1586, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1590,1591,1592,
&end
#
# 0 AMB 20-2:1488 44 ILE HA 2.80 (# 1488:20 Single Ambig)
&rst
ixpk= 1488, nxpk= 20, iat= -1, 302, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 304, 367, 368, 367, 368,
&end
#
# 0 AMB 20-2:1489 44 ILE HA 6.00 (# 1489:20 Single Ambig)
&rst
ixpk= 1489, nxpk= 20, iat= -1, 302, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1201,1202,1203,1205,1206,1207, 610, 611, 612, 614,
615, 616,
&end
#
# 94 THR MG2 133 ILE HA 6.00 (# 1490:20 Unique 3.63, 5.44 A)
&rst
ixpk= 1490, nxpk= 20, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1109,1110,1111,
&end
#
# 0 AMB 20-2:1491 47 ILE HA 4.50 (# 1491:20 Single Ambig)
&rst
ixpk= 1491, nxpk= 20, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 367, 368, 367, 368, 383, 384,
&end
#
# 47 ILE QG2 47 ILE HA 2.80 (# 1492:20 Unique 2.66, 3.29 A)
&rst
ixpk= 1492, nxpk= 20, iat= -1, 359, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 363, 364, 365,
&end
#
# 47 ILE HB 47 ILE HA 4.50 (# 1493:20 Unique 3.04, 3.05 A)
&rst
ixpk= 1493, nxpk= 20, iat= 361, 359, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 61 VAL MGY 85 PRO HA 4.50 (# 1494:20 Unique 2.39, 3.91 A)
&rst
ixpk= 1494, nxpk= 20, iat= -1, 987, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 594, 595, 596, 598, 599, 600,
&end
#
# 96 ILE QD1 85 PRO HA 6.00 (# 1495:20 Unique 2.45, 3.40 A)
&rst
ixpk= 1495, nxpk= 20, iat= -1, 987, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1149,1150,1151,
&end
#
# 0 AMB 20-2:1496 0 AMB 20-1:1496 3.50 (# 1496:20 Double Ambig)
&rst
ixpk= 1496, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1056,1057,1039,1040,1039,1040,
igr2=1054,1067,1068,1067,1068,
&end
#
# 90 CYS HB- 90 CYS HA 4.50 (# 1497:20 Unique 2.42, 2.68 A)
&rst
ixpk= 1497, nxpk= 20, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1056,1057,
&end
#
# 0 AMB 20-2:1498 90 CYS HA 4.50 (# 1498:20 Single Ambig)
&rst
ixpk= 1498, nxpk= 20, iat= -1,1054, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1692,1693,1097,1098,1099,
&end
#
# 53 PRO HB+ 53 PRO HA 4.50 (# 1499:20 Unique 2.31, 2.55 A)
&rst
ixpk= 1499, nxpk= 20, iat= -1, 473, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 470, 471,
&end
#
# 0 AMB 20-2:1500 53 PRO HA 3.50 (# 1500:20 Single Ambig)
&rst
ixpk= 1500, nxpk= 20, iat= -1, 473, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 470, 471, 383, 384, 467, 468,
&end
#
# 0 AMB 20-2:1501 53 PRO HA 4.50 (# 1501:20 Single Ambig)
&rst
ixpk= 1501, nxpk= 20, iat= -1, 473, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 386, 387, 386, 387,
&end
#
# 0 AMB 20-2:1502 32 ILE HA 4.50 (# 1502:20 Single Ambig)
&rst
ixpk= 1502, nxpk= 20, iat= -1, 102, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 130, 131, 132, 691, 692, 719, 720,
&end
#
# 0 AMB 20-2:1503 32 ILE HA 3.50 (# 1503:20 Single Ambig)
&rst
ixpk= 1503, nxpk= 20, iat= -1, 102, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 736, 737, 104,
&end
#
# 44 ILE HG1+ 41 TYR HA 4.50 (# 1504:20 Unique 2.10, 2.71 A)
&rst
ixpk= 1504, nxpk= 20, iat= -1, 250, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 310, 311,
&end
#
# 0 AMB 20-2:1505 41 TYR HA 4.50 (# 1505:20 Single Ambig)
&rst
ixpk= 1505, nxpk= 20, iat= -1, 250, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 310, 311, 674, 675, 676, 678, 679, 680,
&end
#
# 44 ILE QD1 41 TYR HA 3.50 (# 1506:20 Unique 2.62, 3.63 A)
&rst
ixpk= 1506, nxpk= 20, iat= -1, 250, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 313, 314, 315,
&end
#
# 53 PRO HG+ 53 PRO HA 4.50 (# 1507:20 Unique 2.92, 3.88 A)
&rst
ixpk= 1507, nxpk= 20, iat= -1, 473, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 467, 468,
&end
#
# 32 ILE HG1- 32 ILE HA 4.50 (# 1508:20 Unique 2.37, 3.17 A)
&rst
ixpk= 1508, nxpk= 20, iat= -1, 102, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 110, 111,
&end
#
# 32 ILE HG1+ 32 ILE HA 6.00 (# 1509:20 Unique 2.37, 3.17 A)
&rst
ixpk= 1509, nxpk= 20, iat= -1, 102, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 110, 111,
&end
#
# 156 VAL HB 156 VAL HA 4.50 (# 1510:20 Unique 2.37, 2.50 A)
&rst
ixpk= 1510, nxpk= 20, iat=2120,2118, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1511 156 VAL HA 4.50 (# 1511:20 Single Ambig)
&rst
ixpk= 1511, nxpk= 20, iat= -1,2118, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 367, 368, 367, 368,
&end
#
# 0 AMB 20-2:1512 156 VAL HA 4.50 (# 1512:20 Single Ambig)
&rst
ixpk= 1512, nxpk= 20, iat= -1,2118, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1261,1262,1255,1256,1255,1256,
&end
#
# 156 VAL MGY 156 VAL HA 3.50 (# 1513:20 Unique 2.31, 3.46 A)
&rst
ixpk= 1513, nxpk= 20, iat= -1,2118, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2122,2123,2124,2126,2127,2128,
&end
#
# 156 VAL MGX 156 VAL HA 3.50 (# 1514:20 Unique 2.31, 3.46 A)
&rst
ixpk= 1514, nxpk= 20, iat= -1,2118, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2122,2123,2124,2126,2127,2128,
&end
#
# 47 ILE QG2 156 VAL HA 3.50 (# 1515:20 Unique 2.18, 3.98 A)
&rst
ixpk= 1515, nxpk= 20, iat= -1,2118, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 363, 364, 365,
&end
#
# 0 AMB 20-2:1516 46 THR HA 2.80 (# 1516:20 Single Ambig)
&rst
ixpk= 1516, nxpk= 20, iat= -1, 345, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 497, 498, 499, 349, 350, 351,
&end
#
# 107 CYS HB+ 107 CYS HA 3.50 (# 1517:20 Unique 2.43, 2.75 A)
&rst
ixpk= 1517, nxpk= 20, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1337,1338,
&end
#
# 107 CYS HB- 107 CYS HA 4.50 (# 1518:20 Unique 2.43, 2.75 A)
&rst
ixpk= 1518, nxpk= 20, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1337,1338,
&end
#
# 43 LEU MDY 107 CYS HA 6.00 (# 1519:20 Unique 4.21, 5.82 A)
&rst
ixpk= 1519, nxpk= 20, iat= -1,1335, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 290, 291, 292, 294, 295, 296,
&end
#
# 43 LEU HG 107 CYS HA 6.00 (# 1520:20 Unique 5.91, 6.04 A)
&rst
ixpk= 1520, nxpk= 20, iat= 288,1335, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:1521 136 LYS HA 2.80 (# 1521:20 Single Ambig)
&rst
ixpk= 1521, nxpk= 20, iat= -1,1801, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1803,1804,1864,
&end
#
# 136 LYS HG- 136 LYS HA 3.50 (# 1522:20 Unique 2.39, 3.19 A)
&rst
ixpk= 1522, nxpk= 20, iat= -1,1801, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1806,1807,
&end
#
# 139 VAL MGY 136 LYS HA 3.50 (# 1523:20 Unique 3.40, 4.50 A)
&rst
ixpk= 1523, nxpk= 20, iat= -1,1801, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1866,1867,1868,1870,1871,1872,
&end
#
# 156 VAL MGY 103 LYS HA 4.50 (# 1524:20 Unique 2.60, 4.52 A)
&rst
ixpk= 1524, nxpk= 20, iat= -1,1253, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2122,2123,2124,2126,2127,2128,
&end
#
# 66 CYS HB- 66 CYS HA 4.50 (# 1525:20 Unique 2.27, 2.71 A)
&rst
ixpk= 1525, nxpk= 20, iat= -1, 659, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 661, 662,
&end
#
# 38 LEU HB- 35 GLU HA 4.50 (# 1527:20 Unique 2.24, 3.19 A)
&rst
ixpk= 1527, nxpk= 20, iat= -1, 153, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 202, 203,
&end
#
# 38 LEU MDX 35 GLU HA 3.50 (# 1528:20 Unique 2.11, 4.22 A)
&rst
ixpk= 1528, nxpk= 20, iat= -1, 153, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 207, 208, 209, 211, 212, 213,
&end
#
# 38 LEU HB+ 35 GLU HA 3.50 (# 1529:20 Unique 2.24, 3.19 A)
&rst
ixpk= 1529, nxpk= 20, iat= -1, 153, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 202, 203,
&end
#
# 118 ILE QG2 118 ILE HA 6.00 (# 1530:20 Unique 2.25, 3.83 A)
&rst
ixpk= 1530, nxpk= 20, iat= -1,1534, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1538,1539,1540,
&end
#
# 156 VAL HB 103 LYS HA 8.00 (# 1531:20 Unique 2.71, 4.04 A)
&rst
ixpk= 1531, nxpk= 20, iat=2120,1253, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 20-2:1532 103 LYS HA 2.80 (# 1532:20 Single Ambig)
&rst
ixpk= 1532, nxpk= 20, iat= -1,1253, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1261,1262,1255,1256,1255,1256,
&end
#
# 103 LYS HG- 103 LYS HA 4.50 (# 1533:20 Unique 2.29, 3.04 A)
&rst
ixpk= 1533, nxpk= 20, iat= -1,1253, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1258,1259,
&end
#
# 0 AMB 20-2:1534 149 ARG HA 4.50 (# 1534:20 Single Ambig)
&rst
ixpk= 1534, nxpk= 20, iat= -1,2001, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2063,2064,2065,2067,2068,2069,1171,1172,1173,1175,
1176,1177,
&end
#
# 149 ARG HD- 149 ARG HA 6.00 (# 1535:20 Unique 4.12, 4.57 A)
&rst
ixpk= 1535, nxpk= 20, iat= -1,2001, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2009,2010,
&end
#
# 149 ARG HB+ 149 ARG HA 3.50 (# 1536:20 Unique 2.41, 2.76 A)
&rst
ixpk= 1536, nxpk= 20, iat= -1,2001, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2003,2004,
&end
#
# 149 ARG HB- 149 ARG HA 4.50 (# 1537:20 Unique 2.41, 2.76 A)
&rst
ixpk= 1537, nxpk= 20, iat= -1,2001, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2003,2004,
&end
#
# 0 AMB 20-2:1538 149 ARG HA 3.50 (# 1538:20 Single Ambig)
&rst
ixpk= 1538, nxpk= 20, iat= -1,2001, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2006,2007,2006,2007,
&end
#
# 152 VAL MGY 149 ARG HA 4.50 (# 1539:20 Unique 3.66, 4.68 A)
&rst
ixpk= 1539, nxpk= 20, iat= -1,2001, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2063,2064,2065,2067,2068,2069,
&end
#
# 42 ASP HB+ 39 GLU HA 4.50 (# 1542:20 Unique 2.58, 3.18 A)
&rst
ixpk= 1542, nxpk= 20, iat= -1, 219, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 273, 274,
&end
#
# 37 ALA MB 34 GLU HA 3.50 (# 1543:20 Unique 2.36, 3.34 A)
&rst
ixpk= 1543, nxpk= 20, iat= -1, 138, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 192, 193, 194,
&end
#
# 0 AMB 20-2:1544 0 AMB 20-1:1544 2.80 (# 1544:20 Double Ambig)
&rst
ixpk= 1544, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1840,1841,1741,1742,2027,2028,
igr2=1739,2025,
&end
#
# 118 ILE HB 118 ILE HA 6.00 (# 1545:20 Unique 2.37, 2.51 A)
&rst
ixpk= 1545, nxpk= 20, iat=1536,1534, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:1546 57 GLU HA 4.50 (# 1546:20 Single Ambig)
&rst
ixpk= 1546, nxpk= 20, iat= -1, 526, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 531, 532, 531, 532,
&end
#
# 131 LYS HB+ 131 LYS HA 2.80 (# 1547:20 Unique 2.44, 2.77 A)
&rst
ixpk= 1547, nxpk= 20, iat= -1,1717, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1719,1720,
&end
#
# 62 VAL MGX 57 GLU HA 4.50 (# 1548:20 Unique 2.77, 5.14 A)
&rst
ixpk= 1548, nxpk= 20, iat= -1, 526, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 610, 611, 612, 614, 615, 616,
&end
#
# 131 LYS HG- 131 LYS HA 2.80 (# 1549:20 Preassigned 2.32, 2.86 A)
&rst
ixpk= 1549, nxpk= 20, iat= -1,1717, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1722,1723,
&end
#
# 105 GLN HG+ 105 GLN HA 2.80 (# 1550:20 Unique 2.50, 2.90 A)
&rst
ixpk= 1550, nxpk= 20, iat= -1,1294, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1299,1300,
&end
#
# 105 GLN HB+ 105 GLN HA 2.80 (# 1551:20 Unique 2.43, 2.78 A)
&rst
ixpk= 1551, nxpk= 20, iat= -1,1294, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1296,1297,
&end
#
# 138 ARG HD+ 132 GLN HA 6.00 (# 1552:20 Unique 2.47, 4.47 A)
&rst
ixpk= 1552, nxpk= 20, iat= -1,1739, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1846,1847,
&end
#
# 132 GLN HG+ 132 GLN HA 3.50 (# 1553:20 Preassigned 2.33, 2.98 A)
&rst
ixpk= 1553, nxpk= 20, iat= -1,1739, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1744,1745,
&end
#
# 0 AMB 20-2:1554 0 AMB 20-1:1554 2.80 (# 1554:20 Double Ambig)
&rst
ixpk= 1554, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2030,2031,1744,1745,
igr2=2025,1739,
&end
#
# 150 GLU HB+ 150 GLU HA 2.80 (# 1555:20 Preassigned 2.44, 2.78 A)
&rst
ixpk= 1555, nxpk= 20, iat= -1,2025, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2027,2028,
&end
#
# 106 ARG HG+ 106 ARG HA 3.50 (# 1556:20 Unique 2.37, 3.00 A)
&rst
ixpk= 1556, nxpk= 20, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1316,1317,
&end
#
# 106 ARG HD- 106 ARG HA 6.00 (# 1557:20 Unique 2.16, 3.95 A)
&rst
ixpk= 1557, nxpk= 20, iat= -1,1311, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1319,1320,
&end
#
# 0 AMB 20-2:1558 0 AMB 20-1:1558 4.50 (# 1558:20 Double Ambig)
&rst
ixpk= 1558, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1705,1706,1319,1320,
igr2=1657,1311,
&end
#
# 137 GLU HG- 137 GLU HA 2.80 (# 1560:20 Unique 2.42, 2.92 A)
&rst
ixpk= 1560, nxpk= 20, iat= -1,1823, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1828,1829,
&end
#
# 0 AMB 20-2:1561 0 AMB 20-1:1561 2.80 (# 1561:20 Double Ambig)
&rst
ixpk= 1561, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 787, 788, 787, 788,1647,1648,1647,1648,
igr2= 782,1642,
&end
#
# 36 LYS HB- 36 LYS HA 4.50 (# 1562:20 Unique 2.33, 2.75 A)
&rst
ixpk= 1562, nxpk= 20, iat= -1, 168, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 170, 171,
&end
#
# 36 LYS HG+ 36 LYS HA 4.50 (# 1563:20 Unique 2.65, 3.49 A)
&rst
ixpk= 1563, nxpk= 20, iat= -1, 168, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 173, 174,
&end
#
# 138 ARG HG+ 138 ARG HA 4.50 (# 1564:20 Unique 2.23, 3.33 A)
&rst
ixpk= 1564, nxpk= 20, iat= -1,1838, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1843,1844,
&end
#
# 141 ALA MB 138 ARG HA 2.80 (# 1565:20 Unique 2.38, 3.42 A)
&rst
ixpk= 1565, nxpk= 20, iat= -1,1838, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1890,1891,1892,
&end
#
# 138 ARG HD+ 138 ARG HA 4.50 (# 1566:20 Unique 2.15, 3.08 A)
&rst
ixpk= 1566, nxpk= 20, iat= -1,1838, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1846,1847,
&end
#
# 95 LEU HG 95 LEU HA 4.50 (# 1567:20 Unique 2.28, 2.98 A)
&rst
ixpk= 1567, nxpk= 20, iat=1124,1119, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 95 LEU HB- 95 LEU HA 3.50 (# 1568:20 Unique 2.45, 2.80 A)
&rst
ixpk= 1568, nxpk= 20, iat= -1,1119, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1121,1122,
&end
#
# 0 AMB 20-2:1569 95 LEU HA 2.80 (# 1569:20 Single Ambig)
&rst
ixpk= 1569, nxpk= 20, iat= -1,1119, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1126,1127,1128,1130,1131,1132,1171,1172,1173,1175,
1176,1177,2063,2064,2065,2067,2068,2069,
&end
#
# 87 VAL HB 87 VAL HA 4.50 (# 1570:20 Unique 2.26, 2.43 A)
&rst
ixpk= 1570, nxpk= 20, iat=1009,1007, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 87 VAL MGY 87 VAL HA 3.50 (# 1571:20 Unique 2.32, 3.54 A)
&rst
ixpk= 1571, nxpk= 20, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1011,1012,1013,1015,1016,1017,
&end
#
# 87 VAL MGX 87 VAL HA 4.50 (# 1572:20 Unique 2.32, 3.54 A)
&rst
ixpk= 1572, nxpk= 20, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1011,1012,1013,1015,1016,1017,
&end
#
# 154 GLN HB- 154 GLN HA 2.80 (# 1573:20 Unique 2.52, 2.81 A)
&rst
ixpk= 1573, nxpk= 20, iat= -1,2090, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2092,2093,
&end
#
# 154 GLN HG- 154 GLN HA 2.80 (# 1574:20 Unique 2.44, 2.86 A)
&rst
ixpk= 1574, nxpk= 20, iat= -1,2090, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2095,2096,
&end
#
# 154 GLN HB+ 154 GLN HA 2.80 (# 1575:20 Unique 2.52, 2.81 A)
&rst
ixpk= 1575, nxpk= 20, iat= -1,2090, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2092,2093,
&end
#
# 157 LEU HG 154 GLN HA 3.50 (# 1576:20 Unique 2.78, 3.43 A)
&rst
ixpk= 1576, nxpk= 20, iat=2139,2090, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1577 98 LEU HA 2.80 (# 1577:20 Single Ambig)
&rst
ixpk= 1577, nxpk= 20, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1171,1172,1173,1175,1176,1177,1866,1867,1868,1870,
1871,1872,
&end
#
# 0 AMB 20-2:1578 98 LEU HA 4.50 (# 1578:20 Single Ambig)
&rst
ixpk= 1578, nxpk= 20, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1760,1761,1762,2063,2064,2065,2067,2068,2069,
&end
#
# 0 AMB 20-2:1579 104 LEU HA 6.00 (# 1579:20 Single Ambig)
&rst
ixpk= 1579, nxpk= 20, iat= -1,1275, r1= 0.00, r2= 1.80, r3= 9.20, r4= 9.95,
igr1=1467,1468,1469,1471,1472,1473,1465, 238, 239, 240,
242, 243, 244,
&end
#
# 98 LEU HB- 98 LEU HA 3.50 (# 1580:20 Unique 2.48, 2.82 A)
&rst
ixpk= 1580, nxpk= 20, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1166,1167,
&end
#
# 0 AMB 20-2:1581 60 GLU HA 2.80 (# 1581:20 Single Ambig)
&rst
ixpk= 1581, nxpk= 20, iat= -1, 575, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 577, 578, 580, 581,
&end
#
# 60 GLU HG- 60 GLU HA 2.80 (# 1582:20 Unique 2.50, 2.86 A)
&rst
ixpk= 1582, nxpk= 20, iat= -1, 575, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 580, 581,
&end
#
# 0 AMB 20-2:1583 104 LEU HA 4.50 (# 1583:20 Single Ambig)
&rst
ixpk= 1583, nxpk= 20, iat= -1,1275, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1277,1278,1280,
&end
#
# 104 LEU HB- 104 LEU HA 4.50 (# 1584:20 Unique 2.49, 2.79 A)
&rst
ixpk= 1584, nxpk= 20, iat= -1,1275, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1277,1278,
&end
#
# 0 AMB 20-2:1585 104 LEU HA 2.80 (# 1585:20 Single Ambig)
&rst
ixpk= 1585, nxpk= 20, iat= -1,1275, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1282,1283,1284,1286,1287,1288,1282,1283,1284,1286,
1287,1288,
&end
#
# 108 LEU MDX 104 LEU HA 6.00 (# 1586:20 Unique 2.24, 4.92 A)
&rst
ixpk= 1586, nxpk= 20, iat= -1,1275, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 111 LYS HB- 111 LYS HA 3.50 (# 1587:20 Unique 2.36, 2.71 A)
&rst
ixpk= 1587, nxpk= 20, iat= -1,1399, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1401,1402,
&end
#
# 0 AMB 20-2:1588 120 GLU HA 3.50 (# 1588:20 Single Ambig)
&rst
ixpk= 1588, nxpk= 20, iat= -1,1564, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1569,1570,1569,1570,
&end
#
# 41 TYR HB+ 38 LEU HA 4.50 (# 1589:20 Unique 2.44, 3.23 A)
&rst
ixpk= 1589, nxpk= 20, iat= -1, 200, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 252, 253,
&end
#
# 38 LEU HB+ 38 LEU HA 2.80 (# 1590:20 Unique 2.46, 2.79 A)
&rst
ixpk= 1590, nxpk= 20, iat= -1, 200, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 202, 203,
&end
#
# 38 LEU HB- 38 LEU HA 2.80 (# 1591:20 Unique 2.46, 2.79 A)
&rst
ixpk= 1591, nxpk= 20, iat= -1, 200, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 202, 203,
&end
#
# 165 HIS HB+ 165 HIS HA 4.50 (# 1592:20 Unique 2.46, 2.77 A)
&rst
ixpk= 1592, nxpk= 20, iat= -1,2262, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2264,2265,
&end
#
# 165 HIS HB- 165 HIS HA 4.50 (# 1593:20 Unique 2.46, 2.77 A)
&rst
ixpk= 1593, nxpk= 20, iat= -1,2262, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2264,2265,
&end
#
# 111 LYS HG+ 111 LYS HA 4.50 (# 1594:20 Unique 2.36, 3.04 A)
&rst
ixpk= 1594, nxpk= 20, iat= -1,1399, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1404,1405,
&end
#
# 111 LYS HG- 111 LYS HA 4.50 (# 1595:20 Unique 2.36, 3.04 A)
&rst
ixpk= 1595, nxpk= 20, iat= -1,1399, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1404,1405,
&end
#
# 56 LEU HB- 56 LEU HA 4.50 (# 1596:20 Unique 2.50, 2.83 A)
&rst
ixpk= 1596, nxpk= 20, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 509, 510,
&end
#
# 0 AMB 20-2:1598 56 LEU HA 2.80 (# 1598:20 Single Ambig)
&rst
ixpk= 1598, nxpk= 20, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 514, 515, 516, 518, 519, 520, 563, 564, 565, 567,
568, 569,
&end
#
# 0 AMB 20-2:1599 148 LEU HA 4.50 (# 1599:20 Single Ambig)
&rst
ixpk= 1599, nxpk= 20, iat= -1,1982, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1970,1971,1970,1971,
&end
#
# 148 LEU HB+ 148 LEU HA 3.50 (# 1600:20 Unique 2.46, 2.79 A)
&rst
ixpk= 1600, nxpk= 20, iat= -1,1982, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1984,1985,
&end
#
# 42 ASP HB- 42 ASP HA 4.50 (# 1601:20 Unique 2.48, 2.77 A)
&rst
ixpk= 1601, nxpk= 20, iat= -1, 271, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 273, 274,
&end
#
# 0 AMB 20-2:1602 42 ASP HA 4.50 (# 1602:20 Single Ambig)
&rst
ixpk= 1602, nxpk= 20, iat= -1, 271, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 326, 327, 323, 324,
&end
#
# 42 ASP HB+ 42 ASP HA 3.50 (# 1603:20 Unique 2.48, 2.77 A)
&rst
ixpk= 1603, nxpk= 20, iat= -1, 271, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 273, 274,
&end
#
# 46 THR MG2 42 ASP HA 6.00 (# 1604:20 Unique 4.15, 6.03 A)
&rst
ixpk= 1604, nxpk= 20, iat= -1, 271, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 349, 350, 351,
&end
#
# 45 ARG HD+ 42 ASP HA 4.50 (# 1605:20 Unique 1.97, 3.42 A)
&rst
ixpk= 1605, nxpk= 20, iat= -1, 271, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 329, 330,
&end
#
# 51 GLU HB+ 51 GLU HA 2.80 (# 1606:20 Unique 2.40, 2.77 A)
&rst
ixpk= 1606, nxpk= 20, iat= -1, 428, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 430, 431,
&end
#
# 51 GLU HB- 51 GLU HA 3.50 (# 1607:20 Unique 2.40, 2.77 A)
&rst
ixpk= 1607, nxpk= 20, iat= -1, 428, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 430, 431,
&end
#
# 31 ARG HD+ 31 ARG HA 6.00 (# 1608:20 Unique 2.16, 3.89 A)
&rst
ixpk= 1608, nxpk= 20, iat= -1, 78, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 86, 87,
&end
#
# 0 AMB 20-2:1609 0 AMB 20-1:1609 4.50 (# 1609:20 Double Ambig)
&rst
ixpk= 1609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 130, 131, 132, 433, 434,
igr2= 78,1076,
&end
#
# 0 AMB 20-2:1611 0 AMB 20-1:1611 2.80 (# 1611:20 Double Ambig)
&rst
ixpk= 1611, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 799, 800,1927,1928,
igr2= 797,1925,
&end
#
# 163 GLU HG- 163 GLU HA 4.50 (# 1612:20 Unique 2.37, 2.96 A)
&rst
ixpk= 1612, nxpk= 20, iat= -1,2230, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2235,2236,
&end
#
# 0 AMB 20-2:1613 163 GLU HA 2.80 (# 1613:20 Single Ambig)
&rst
ixpk= 1613, nxpk= 20, iat= -1,2230, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2232,2233,2232,2233,
&end
#
# 0 AMB 20-2:1614 128 ASP HA 6.00 (# 1614:20 Single Ambig)
&rst
ixpk= 1614, nxpk= 20, iat= -1,1672, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1725,1726,1725,1726,
&end
#
# 0 AMB 20-2:1615 0 AMB 20-1:1615 2.80 (# 1615:20 Double Ambig)
&rst
ixpk= 1615, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 80, 81,1078,1079, 416, 417, 416, 417,
igr2= 78,1076,
&end
#
# 0 AMB 20-2:1616 0 AMB 20-1:1616 3.50 (# 1616:20 Double Ambig)
&rst
ixpk= 1616, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1=1081, 83, 84,1078,1079,
igr2=1076, 78,
&end
#
# 0 AMB 20-2:1617 92 LEU HA 3.50 (# 1617:20 Single Ambig)
&rst
ixpk= 1617, nxpk= 20, iat= -1,1076, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1083,1084,1085,1087,1088,1089,1083,1084,1085,1087,
1088,1089,
&end
#
# 95 LEU HB- 92 LEU HA 6.00 (# 1618:20 Unique 2.18, 3.34 A)
&rst
ixpk= 1618, nxpk= 20, iat= -1,1076, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1121,1122,
&end
#
# 43 LEU HG 43 LEU HA 4.50 (# 1619:20 Preassigned 3.42, 3.77 A)
&rst
ixpk= 1619, nxpk= 20, iat= 288, 283, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1620 0 AMB 20-1:1620 2.80 (# 1620:20 Double Ambig)
&rst
ixpk= 1620, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 799, 800,1927,1928,
igr2= 797,1925,
&end
#
# 128 ASP HB+ 128 ASP HA 2.80 (# 1621:20 Unique 2.44, 2.76 A)
&rst
ixpk= 1621, nxpk= 20, iat= -1,1672, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1674,1675,
&end
#
# 131 LYS HB+ 128 ASP HA 4.50 (# 1622:20 Unique 2.28, 3.00 A)
&rst
ixpk= 1622, nxpk= 20, iat= -1,1672, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1719,1720,
&end
#
# 144 GLU HG- 144 GLU HA 4.50 (# 1623:20 Unique 2.40, 2.96 A)
&rst
ixpk= 1623, nxpk= 20, iat= -1,1925, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1930,1931,
&end
#
# 96 ILE QD1 93 ALA HA 3.50 (# 1624:20 Unique 2.21, 3.65 A)
&rst
ixpk= 1624, nxpk= 20, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1149,1150,1151,
&end
#
# 76 GLU HB- 76 GLU HA 4.50 (# 1625:20 Unique 2.32, 2.70 A)
&rst
ixpk= 1625, nxpk= 20, iat= -1, 812, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 814, 815,
&end
#
# 0 AMB 20-2:1627 76 GLU HA 4.50 (# 1627:20 Single Ambig)
&rst
ixpk= 1627, nxpk= 20, iat= -1, 812, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 814, 815,1407,1408,
&end
#
# 130 ASN HB+ 130 ASN HA 2.80 (# 1628:20 Unique 2.21, 2.70 A)
&rst
ixpk= 1628, nxpk= 20, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1705,1706,
&end
#
# 0 AMB 20-2:1629 147 ASN HA 2.80 (# 1629:20 Single Ambig)
&rst
ixpk= 1629, nxpk= 20, iat= -1,1968, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1970,1971,1970,1971,
&end
#
# 28 ARG HG- 28 ARG HA 3.50 (# 1631:20 Unique 2.44, 3.10 A)
&rst
ixpk= 1631, nxpk= 20, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 28, 29,
&end
#
# 28 ARG HD- 28 ARG HA 4.50 (# 1632:20 Unique 2.18, 4.39 A)
&rst
ixpk= 1632, nxpk= 20, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 31, 32,
&end
#
# 0 AMB 20-2:1633 0 AMB 20-1:1633 2.80 (# 1633:20 Double Ambig)
&rst
ixpk= 1633, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 380, 381, 25, 26, 383, 384,
igr2= 378, 23,
&end
#
# 0 AMB 20-2:1634 161 GLN HA 2.80 (# 1634:20 Single Ambig)
&rst
ixpk= 1634, nxpk= 20, iat= -1,2194, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2199,2200,2199,2200,
&end
#
# 161 GLN HB+ 161 GLN HA 2.80 (# 1635:20 Unique 2.27, 2.73 A)
&rst
ixpk= 1635, nxpk= 20, iat= -1,2194, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2196,2197,
&end
#
# 48 ARG HG+ 48 ARG HA 2.80 (# 1636:20 Unique 2.39, 2.68 A)
&rst
ixpk= 1636, nxpk= 20, iat= -1, 378, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 383, 384,
&end
#
# 162 LEU MDY 161 GLN HA 4.50 (# 1637:20 Unique 2.29, 6.07 A)
&rst
ixpk= 1637, nxpk= 20, iat= -1,2194, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2218,2219,2220,2222,2223,2224,
&end
#
# 93 ALA MB 93 ALA HA 2.80 (# 1638:20 Unique 2.42, 2.67 A)
&rst
ixpk= 1638, nxpk= 20, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1097,1098,1099,
&end
#
# 0 AMB 20-2:1639 130 ASN HA 4.50 (# 1639:20 Single Ambig)
&rst
ixpk= 1639, nxpk= 20, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1767,1768,1769,1688,1689,1690,
&end
#
# 55 THR MG2 48 ARG HA 6.00 (# 1640:20 Unique 2.52, 4.14 A)
&rst
ixpk= 1640, nxpk= 20, iat= -1, 378, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 497, 498, 499,
&end
#
# 32 ILE QG2 33 MET HA 6.00 (# 1641:20 Preassigned 3.89, 5.21 A)
&rst
ixpk= 1641, nxpk= 20, iat= -1, 121, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 106, 107, 108,
&end
#
# 27 MET HB+ 27 MET HA 3.50 (# 1642:20 Unique 2.40, 2.76 A)
&rst
ixpk= 1642, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 8, 9,
&end
#
# 115 GLU HB- 115 GLU HA 4.50 (# 1643:20 Unique 2.44, 2.77 A)
&rst
ixpk= 1643, nxpk= 20, iat= -1,1479, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1481,1482,
&end
#
# 143 MET ME 143 MET HA 4.50 (# 1644:20 Unique 2.06, 3.17 A)
&rst
ixpk= 1644, nxpk= 20, iat= -1,1908, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1917,1918,1919,
&end
#
# 0 AMB 20-2:1646 0 AMB 20-1:1646 4.50 (# 1646:20 Double Ambig)
&rst
ixpk= 1646, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1467,1468,1469,1471,1472,1473,1171,1172,1173,1175,
1176,1177,
igr2=1479,1908,
&end
#
# 143 MET HG- 143 MET HA 4.50 (# 1647:20 Unique 2.64, 3.36 A)
&rst
ixpk= 1647, nxpk= 20, iat= -1,1908, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1913,1914,
&end
#
# 115 GLU HG- 115 GLU HA 3.50 (# 1648:20 Unique 2.33, 3.15 A)
&rst
ixpk= 1648, nxpk= 20, iat= -1,1479, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1484,1485,
&end
#
# 162 LEU MDX 162 LEU HA 2.80 (# 1649:20 Unique 2.26, 3.91 A)
&rst
ixpk= 1649, nxpk= 20, iat= -1,2211, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2218,2219,2220,2222,2223,2224,
&end
#
# 162 LEU HB+ 162 LEU HA 3.50 (# 1650:20 Unique 2.37, 2.73 A)
&rst
ixpk= 1650, nxpk= 20, iat= -1,2211, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2213,2214,
&end
#
# 162 LEU HB- 162 LEU HA 2.80 (# 1651:20 Unique 2.37, 2.73 A)
&rst
ixpk= 1651, nxpk= 20, iat= -1,2211, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2213,2214,
&end
#
# 0 AMB 20-2:1652 157 LEU HA 6.00 (# 1652:20 Single Ambig)
&rst
ixpk= 1652, nxpk= 20, iat= -1,2134, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=2158,2159,2158,2159,
&end
#
# 0 AMB 20-2:1653 157 LEU HA 4.50 (# 1653:20 Single Ambig)
&rst
ixpk= 1653, nxpk= 20, iat= -1,2134, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=2139,2155,2156,
&end
#
# 157 LEU HB+ 157 LEU HA 3.50 (# 1654:20 Unique 2.17, 2.73 A)
&rst
ixpk= 1654, nxpk= 20, iat= -1,2134, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2136,2137,
&end
#
# 157 LEU MDY 157 LEU HA 2.80 (# 1655:20 Unique 2.11, 3.95 A)
&rst
ixpk= 1655, nxpk= 20, iat= -1,2134, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2141,2142,2143,2145,2146,2147,
&end
#
# 40 VAL HB 37 ALA HA 4.50 (# 1656:20 Unique 2.27, 2.48 A)
&rst
ixpk= 1656, nxpk= 20, iat= 236, 190, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 37 ALA MB 37 ALA HA 2.80 (# 1657:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1657, nxpk= 20, iat= -1, 190, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 192, 193, 194,
&end
#
# 67 VAL MGY 37 ALA HA 3.50 (# 1658:20 Unique 2.27, 4.26 A)
&rst
ixpk= 1658, nxpk= 20, iat= -1, 190, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 69 VAL MGX 37 ALA HA 2.80 (# 1659:20 Unique 2.16, 4.43 A)
&rst
ixpk= 1659, nxpk= 20, iat= -1, 190, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 705, 706, 707, 709, 710, 711,
&end
#
# 68 GLU HG+ 68 GLU HA 6.00 (# 1660:20 Unique 2.37, 2.89 A)
&rst
ixpk= 1660, nxpk= 20, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 691, 692,
&end
#
# 0 AMB 20-2:1662 33 MET HA 3.50 (# 1662:20 Single Ambig)
&rst
ixpk= 1662, nxpk= 20, iat= -1, 121, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 130, 131, 132, 123, 124,
&end
#
# 33 MET HG+ 33 MET HA 6.00 (# 1663:20 Unique 2.46, 3.35 A)
&rst
ixpk= 1663, nxpk= 20, iat= -1, 121, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 126, 127,
&end
#
# 113 LYS HB- 113 LYS HA 3.50 (# 1664:20 Unique 2.45, 2.77 A)
&rst
ixpk= 1664, nxpk= 20, iat= -1,1438, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1440,1441,
&end
#
# 113 LYS HG+ 113 LYS HA 6.00 (# 1665:20 Unique 2.38, 2.85 A)
&rst
ixpk= 1665, nxpk= 20, iat= -1,1438, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1443,1444,
&end
#
# 113 LYS HG- 113 LYS HA 4.50 (# 1666:20 Unique 2.38, 2.85 A)
&rst
ixpk= 1666, nxpk= 20, iat= -1,1438, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1443,1444,
&end
#
# 27 MET HG- 27 MET HA 6.00 (# 1667:20 Unique 2.42, 3.17 A)
&rst
ixpk= 1667, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 11, 12,
&end
#
# 148 LEU MDX 142 ALA HA 3.50 (# 1668:20 Unique 2.39, 4.43 A)
&rst
ixpk= 1668, nxpk= 20, iat= -1,1898, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1989,1990,1991,1993,1994,1995,
&end
#
# 157 LEU HB- 157 LEU HA 2.80 (# 1669:20 Preassigned 2.17, 2.73 A)
&rst
ixpk= 1669, nxpk= 20, iat= -1,2134, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2136,2137,
&end
#
# 143 MET HG- 140 ALA HA 6.00 (# 1670:20 Unique 3.37, 4.01 A)
&rst
ixpk= 1670, nxpk= 20, iat= -1,1878, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1913,1914,
&end
#
# 143 MET HB+ 140 ALA HA 4.50 (# 1671:20 Unique 2.58, 3.59 A)
&rst
ixpk= 1671, nxpk= 20, iat= -1,1878, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1910,1911,
&end
#
# 0 AMB 20-2:1672 68 GLU HA 4.50 (# 1672:20 Single Ambig)
&rst
ixpk= 1672, nxpk= 20, iat= -1, 686, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 688, 689, 688, 689,
&end
#
# 113 LYS HB+ 113 LYS HA 3.50 (# 1673:20 Unique 2.45, 2.77 A)
&rst
ixpk= 1673, nxpk= 20, iat= -1,1438, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1440,1441,
&end
#
# 140 ALA MB 140 ALA HA 2.80 (# 1674:20 Unique 2.46, 2.66 A)
&rst
ixpk= 1674, nxpk= 20, iat= -1,1878, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1880,1881,1882,
&end
#
# 139 VAL MGX 140 ALA HA 4.50 (# 1675:20 Unique 3.47, 5.65 A)
&rst
ixpk= 1675, nxpk= 20, iat= -1,1878, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1866,1867,1868,1870,1871,1872,
&end
#
# 0 AMB 20-2:1676 160 ASP HA 2.80 (# 1676:20 Single Ambig)
&rst
ixpk= 1676, nxpk= 20, iat= -1,2182, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2184,2185,2184,2185,
&end
#
# 144 GLU HG- 141 ALA HA 4.50 (# 1677:20 Unique 3.57, 4.68 A)
&rst
ixpk= 1677, nxpk= 20, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1930,1931,
&end
#
# 144 GLU HG+ 141 ALA HA 6.00 (# 1678:20 Unique 3.57, 4.68 A)
&rst
ixpk= 1678, nxpk= 20, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1930,1931,
&end
#
# 144 GLU HB+ 141 ALA HA 6.00 (# 1679:20 Unique 2.45, 3.11 A)
&rst
ixpk= 1679, nxpk= 20, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1927,1928,
&end
#
# 144 GLU HB- 141 ALA HA 4.50 (# 1680:20 Unique 2.45, 3.11 A)
&rst
ixpk= 1680, nxpk= 20, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1927,1928,
&end
#
# 141 ALA MB 141 ALA HA 2.80 (# 1681:20 Unique 2.46, 2.67 A)
&rst
ixpk= 1681, nxpk= 20, iat= -1,1888, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1890,1891,1892,
&end
#
# 0 AMB 20-2:1682 158 GLU HA 3.50 (# 1682:20 Single Ambig)
&rst
ixpk= 1682, nxpk= 20, iat= -1,2153, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2155,2156, 380, 381,
&end
#
# 61 VAL MGY 59 LEU HA 6.00 (# 1683:20 Unique 4.41, 6.88 A)
&rst
ixpk= 1683, nxpk= 20, iat= -1, 556, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 594, 595, 596, 598, 599, 600,
&end
#
# 52 LYS HG- 52 LYS HA 4.50 (# 1684:20 Unique 2.34, 3.53 A)
&rst
ixpk= 1684, nxpk= 20, iat= -1, 443, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 448, 449,
&end
#
# 0 AMB 20-2:1685 52 LYS HA 4.50 (# 1685:20 Single Ambig)
&rst
ixpk= 1685, nxpk= 20, iat= -1, 443, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 451, 452, 445, 446,
&end
#
# 158 GLU HG+ 158 GLU HA 3.50 (# 1686:20 Unique 2.39, 3.56 A)
&rst
ixpk= 1686, nxpk= 20, iat= -1,2153, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2158,2159,
&end
#
# 158 GLU HB+ 158 GLU HA 2.80 (# 1687:20 Unique 2.33, 2.54 A)
&rst
ixpk= 1687, nxpk= 20, iat= -1,2153, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2155,2156,
&end
#
# 59 LEU HB+ 59 LEU HA 3.50 (# 1688:20 Unique 2.45, 2.83 A)
&rst
ixpk= 1688, nxpk= 20, iat= -1, 556, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 558, 559,
&end
#
# 59 LEU HB- 59 LEU HA 3.50 (# 1689:20 Unique 2.45, 2.83 A)
&rst
ixpk= 1689, nxpk= 20, iat= -1, 556, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 558, 559,
&end
#
# 59 LEU MDY 59 LEU HA 2.80 (# 1690:20 Unique 2.17, 3.35 A)
&rst
ixpk= 1690, nxpk= 20, iat= -1, 556, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 563, 564, 565, 567, 568, 569,
&end
#
# 135 ASP HB- 135 ASP HA 6.00 (# 1691:20 Unique 2.39, 2.74 A)
&rst
ixpk= 1691, nxpk= 20, iat= -1,1789, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1791,1792,
&end
#
# 0 AMB 20-2:1692 29 GLN HA 4.50 (# 1692:20 Single Ambig)
&rst
ixpk= 1692, nxpk= 20, iat= -1, 47, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 52, 53, 52, 53,
&end
#
# 29 GLN HB- 29 GLN HA 2.80 (# 1693:20 Unique 2.36, 2.73 A)
&rst
ixpk= 1693, nxpk= 20, iat= -1, 47, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 49, 50,
&end
#
# 29 GLN HB+ 29 GLN HA 2.80 (# 1694:20 Preassigned 2.36, 2.73 A)
&rst
ixpk= 1694, nxpk= 20, iat= -1, 47, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 49, 50,
&end
#
# 0 AMB 20-2:1695 49 ASP HA 4.50 (# 1695:20 Single Ambig)
&rst
ixpk= 1695, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 416, 417, 416, 417, 380, 381,
&end
#
# 49 ASP HB- 49 ASP HA 6.00 (# 1697:20 Unique 2.38, 2.73 A)
&rst
ixpk= 1697, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 404, 405,
&end
#
# 0 AMB 20-2:1698 49 ASP HA 6.00 (# 1698:20 Single Ambig)
&rst
ixpk= 1698, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1=1149,1150,1151,1083,1084,1085,1087,1088,1089,
&end
#
# 56 LEU MDX 49 ASP HA 4.50 (# 1699:20 Unique 2.23, 4.19 A)
&rst
ixpk= 1699, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 514, 515, 516, 518, 519, 520,
&end
#
# 109 PRO HD- 108 LEU HA 3.50 (# 1700:20 Unique 1.99, 2.44 A)
&rst
ixpk= 1700, nxpk= 20, iat= -1,1346, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1364,1365,
&end
#
# 0 AMB 20-2:1701 108 LEU HA 4.50 (# 1701:20 Single Ambig)
&rst
ixpk= 1701, nxpk= 20, iat= -1,1346, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 288,1282,1283,1284,1286,1287,1288,
&end
#
# 108 LEU MDY 108 LEU HA 3.50 (# 1702:20 Unique 2.17, 3.90 A)
&rst
ixpk= 1702, nxpk= 20, iat= -1,1346, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:1703 73 ASN HA 2.80 (# 1703:20 Single Ambig)
&rst
ixpk= 1703, nxpk= 20, iat= -1, 768, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 770, 771, 770, 771,
&end
#
# 0 AMB 20-2:1704 73 ASN HA 4.50 (# 1704:20 Single Ambig)
&rst
ixpk= 1704, nxpk= 20, iat= -1, 768, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 739, 740, 736, 737, 817, 818, 784, 785,
&end
#
# 146 PRO HB+ 146 PRO HD+ 6.00 (# 1705:20 Unique 2.81, 3.68 A)
&rst
ixpk= 1705, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1959,1960,
igr2=1953,1954,
&end
#
# 146 PRO HB+ 146 PRO HD- 4.50 (# 1706:20 Unique 2.81, 3.68 A)
&rst
ixpk= 1706, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1959,1960,
igr2=1953,1954,
&end
#
# 0 AMB 20-2:1707 0 AMB 20-1:1707 2.80 (# 1707:20 Double Ambig)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1956,1957,1956,1957,
igr2=1953,1954,1953,1954,
&end
#
# 0 AMB 20-2:1708 146 PRO HD- 2.80 (# 1708:20 Single Ambig)
&rst
ixpk= 1708, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1956,1957,1956,1957,
igr2=1953,1954,
&end
#
# 0 AMB 20-2:1709 0 AMB 20-1:1709 4.50 (# 1709:20 Double Ambig)
&rst
ixpk= 1709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1146,1147, 419, 420,
igr2= 413, 414, 413, 414,
&end
#
# 0 AMB 20-2:1710 0 AMB 20-1:1710 3.50 (# 1710:20 Double Ambig)
&rst
ixpk= 1710, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 416, 417, 416, 417,
igr2= 413, 414, 413, 414,
&end
#
# 0 AMB 20-2:1711 0 AMB 20-1:1711 4.50 (# 1711:20 Double Ambig)
&rst
ixpk= 1711, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.53, r4=10.28,
igr1=1083,1084,1085,1087,1088,1089,1083,1084,1085,1087,
1088,1089,1149,1150,1151,
igr2= 413, 414, 413, 414, 413, 414,
&end
#
# 108 LEU MDY 109 PRO HD+ 6.00 (# 1713:20 Unique 2.20, 5.33 A)
&rst
ixpk= 1713, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1353,1354,1355,1357,1358,1359,
igr2=1364,1365,
&end
#
# 0 AMB 20-2:1714 0 AMB 20-1:1714 3.50 (# 1714:20 Double Ambig)
&rst
ixpk= 1714, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.01, r4= 8.76,
igr1=1569,1570,1569,1570,2173,2174,2173,2174, 69, 70,
2158,2159,
igr2= 978, 979, 978, 979,2167,2168,2167,2168, 63, 64,
2167,2168,
&end
#
# 56 LEU MDX 50 PRO HD+ 6.00 (# 1717:20 Unique 2.65, 5.42 A)
&rst
ixpk= 1717, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 514, 515, 516, 518, 519, 520,
igr2= 413, 414,
&end
#
# 118 ILE HG1+ 85 PRO HD+ 6.00 (# 1718:20 Preassigned 2.17, 3.78 A)
&rst
ixpk= 1718, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1542,1543,
igr2= 978, 979,
&end
#
# 0 AMB 20-2:1720 0 AMB 20-1:1720 4.50 (# 1720:20 Double Ambig)
&rst
ixpk= 1720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 969, 970, 971, 497, 498, 499,
igr2= 978, 979,2167,2168,2167,2168,
&end
#
# 69 VAL HB 69 VAL HA 4.50 (# 1722:20 Unique 2.34, 2.84 A)
&rst
ixpk= 1722, nxpk= 20, iat= 703, 701, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 69 VAL MGX 69 VAL HA 2.80 (# 1723:20 Unique 2.47, 3.31 A)
&rst
ixpk= 1723, nxpk= 20, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 705, 706, 707, 709, 710, 711,
&end
#
# 0 AMB 20-2:1724 80 ILE HA 4.50 (# 1724:20 Single Ambig)
&rst
ixpk= 1724, nxpk= 20, iat= -1, 883, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 891, 892, 910, 911,
&end
#
# 80 ILE QG2 80 ILE HA 3.50 (# 1725:20 Unique 2.43, 3.09 A)
&rst
ixpk= 1725, nxpk= 20, iat= -1, 883, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 887, 888, 889,
&end
#
# 80 ILE HB 80 ILE HA 4.50 (# 1726:20 Unique 3.03, 3.04 A)
&rst
ixpk= 1726, nxpk= 20, iat= 885, 883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 TYR HB+ 77 TYR HA 4.50 (# 1730:20 Unique 2.31, 2.68 A)
&rst
ixpk= 1730, nxpk= 20, iat= -1, 827, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 829, 830,
&end
#
# 117 TYR HB- 117 TYR HA 4.50 (# 1731:20 Unique 2.33, 2.67 A)
&rst
ixpk= 1731, nxpk= 20, iat= -1,1513, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1515,1516,
&end
#
# 117 TYR HB+ 117 TYR HA 6.00 (# 1732:20 Unique 2.33, 2.67 A)
&rst
ixpk= 1732, nxpk= 20, iat= -1,1513, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1515,1516,
&end
#
# 133 ILE QD1 117 TYR HA 4.50 (# 1733:20 Unique 2.40, 4.07 A)
&rst
ixpk= 1733, nxpk= 20, iat= -1,1513, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1767,1768,1769,
&end
#
# 61 VAL MGX 83 PHE HA 4.50 (# 1734:20 Unique 3.63, 6.20 A)
&rst
ixpk= 1734, nxpk= 20, iat= -1, 945, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 594, 595, 596, 598, 599, 600,
&end
#
# 83 PHE HB- 83 PHE HA 4.50 (# 1735:20 Unique 2.30, 2.43 A)
&rst
ixpk= 1735, nxpk= 20, iat= -1, 945, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 947, 948,
&end
#
# 83 PHE HB+ 83 PHE HA 4.50 (# 1736:20 Unique 2.30, 2.43 A)
&rst
ixpk= 1736, nxpk= 20, iat= -1, 945, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 947, 948,
&end
#
# 62 VAL MGY 83 PHE HA 6.00 (# 1737:20 Unique 2.95, 6.39 A)
&rst
ixpk= 1737, nxpk= 20, iat= -1, 945, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 610, 611, 612, 614, 615, 616,
&end
#
# 0 AMB 20-2:1738 82 ARG HA 3.50 (# 1738:20 Single Ambig)
&rst
ixpk= 1738, nxpk= 20, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 923, 924, 926, 927,
&end
#
# 0 AMB 20-2:1739 82 ARG HA 4.50 (# 1739:20 Single Ambig)
&rst
ixpk= 1739, nxpk= 20, iat= -1, 921, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 923, 924, 926, 927,
&end
#
# 79 VAL MGX 114 LEU HA 6.00 (# 1741:20 Unique 3.63, 4.70 A)
&rst
ixpk= 1741, nxpk= 20, iat= -1,1460, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 871, 872, 873, 875, 876, 877,
&end
#
# 0 AMB 20-2:1742 54 ASN HA 6.00 (# 1742:20 Single Ambig)
&rst
ixpk= 1742, nxpk= 20, iat= -1, 479, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 445, 446, 558, 559,
&end
#
# 79 VAL HB 114 LEU HA 4.50 (# 1743:20 Unique 2.24, 2.48 A)
&rst
ixpk= 1743, nxpk= 20, iat= 869,1460, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 114 LEU HB+ 114 LEU HA 4.50 (# 1744:20 Unique 2.25, 2.76 A)
&rst
ixpk= 1744, nxpk= 20, iat= -1,1460, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1462,1463,
&end
#
# 0 AMB 20-2:1745 114 LEU HA 2.80 (# 1745:20 Single Ambig)
&rst
ixpk= 1745, nxpk= 20, iat= -1,1460, r1= 0.00, r2= 1.80, r3= 4.29, r4= 5.04,
igr1=1467,1468,1469,1471,1472,1473, 855, 856, 857, 859,
860, 861,1465,
&end
#
# 114 LEU HB- 114 LEU HA 4.50 (# 1746:20 Unique 2.25, 2.76 A)
&rst
ixpk= 1746, nxpk= 20, iat= -1,1460, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1462,1463,
&end
#
# 54 ASN HB+ 54 ASN HA 4.50 (# 1747:20 Unique 2.44, 2.77 A)
&rst
ixpk= 1747, nxpk= 20, iat= -1, 479, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 481, 482,
&end
#
# 54 ASN HB- 54 ASN HA 4.50 (# 1748:20 Unique 2.44, 2.77 A)
&rst
ixpk= 1748, nxpk= 20, iat= -1, 479, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 481, 482,
&end
#
# 55 THR MG2 54 ASN HA 6.00 (# 1749:20 Unique 3.43, 4.57 A)
&rst
ixpk= 1749, nxpk= 20, iat= -1, 479, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 497, 498, 499,
&end
#
# 58 GLU HB+ 54 ASN HA 6.00 (# 1750:20 Unique 3.99, 4.78 A)
&rst
ixpk= 1750, nxpk= 20, iat= -1, 479, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 543, 544,
&end
#
# 110 PHE HB+ 110 PHE HA 3.50 (# 1751:20 Unique 2.28, 2.64 A)
&rst
ixpk= 1751, nxpk= 20, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1381,1382,
&end
#
# 110 PHE HB- 110 PHE HA 3.50 (# 1752:20 Unique 2.28, 2.64 A)
&rst
ixpk= 1752, nxpk= 20, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1381,1382,
&end
#
# 0 AMB 20-2:1753 110 PHE HA 6.00 (# 1753:20 Single Ambig)
&rst
ixpk= 1753, nxpk= 20, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1370,1371,1401,1402,
&end
#
# 27 MET HG- 27 MET HB+ 6.00 (# 1754:20 Unique 2.32, 2.67 A)
&rst
ixpk= 1754, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 0 AMB 20-2:1755 28 ARG HB- 2.80 (# 1755:20 Single Ambig)
&rst
ixpk= 1755, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 28, 29, 28, 29,
igr2= 25, 26,
&end
#
# 0 AMB 20-2:1756 0 AMB 20-1:1756 2.80 (# 1756:20 Double Ambig)
&rst
ixpk= 1756, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 83, 84, 28, 29,
igr2= 80, 81, 25, 26,
&end
#
# 28 ARG HD- 28 ARG HG- 2.80 (# 1758:20 Unique 2.23, 2.69 A)
&rst
ixpk= 1758, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 31, 32,
igr2= 28, 29,
&end
#
# 0 AMB 20-2:1759 0 AMB 20-1:1759 4.50 (# 1759:20 Double Ambig)
&rst
ixpk= 1759, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 21, 76, 45,
igr2= 28, 29, 83, 84, 28, 29,
&end
#
# 159 PRO HA 48 ARG HD+ 6.00 (# 1760:20 Unique 2.31, 4.43 A)
&rst
ixpk= 1760, nxpk= 20, iat=2176, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 386, 387,
&end
#
# 30 PRO HD+ 29 GLN HA 2.80 (# 1762:20 Unique 2.08, 2.43 A)
&rst
ixpk= 1762, nxpk= 20, iat= -1, 47, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 63, 64,
&end
#
# 30 PRO HD- 29 GLN HA 2.80 (# 1763:20 Unique 2.08, 2.43 A)
&rst
ixpk= 1763, nxpk= 20, iat= -1, 47, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 63, 64,
&end
#
# 30 PRO HD+ 29 GLN HB+ 6.00 (# 1765:20 Unique 2.24, 4.14 A)
&rst
ixpk= 1765, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 63, 64,
igr2= 49, 50,
&end
#
# 29 GLN HB- 0 AMB 20-1:1766 2.80 (# 1766:20 Single Ambig)
&rst
ixpk= 1766, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 49, 50,
igr2= 52, 53, 52, 53,
&end
#
# 0 AMB 20-2:1767 0 AMB 20-1:1767 2.80 (# 1767:20 Double Ambig)
&rst
ixpk= 1767, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 49, 50, 49, 50,
igr2= 52, 53, 52, 53,
&end
#
# 0 AMB 20-2:1768 0 AMB 20-1:1768 2.80 (# 1768:20 Double Ambig)
&rst
ixpk= 1768, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=2196,2197,2196,2197,
igr2=2199,2200,2199,2200,
&end
#
# 161 GLN HB- 0 AMB 20-1:1769 2.80 (# 1769:20 Single Ambig)
&rst
ixpk= 1769, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2196,2197,
igr2=2199,2200,2199,2200,
&end
#
# 0 AMB 20-2:1770 0 AMB 20-1:1770 6.00 (# 1770:20 Double Ambig)
&rst
ixpk= 1770, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
igr1=2204,2205,2204,2205,
igr2=2199,2200,2199,2200,
&end
#
# 0 AMB 20-2:1773 0 AMB 20-1:1773 4.50 (# 1773:20 Double Ambig)
&rst
ixpk= 1773, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 80, 81, 25, 26, 25, 26,
igr2= 52, 53, 52, 53, 52, 53,
&end
#
# 148 LEU MDY 148 LEU HG 2.80 (# 1774:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1774, nxpk= 20, iat= -1,1987, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1989,1990,1991,1993,1994,1995,
&end
#
# 148 LEU MDX 148 LEU HG 2.80 (# 1775:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1775, nxpk= 20, iat= -1,1987, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1989,1990,1991,1993,1994,1995,
&end
#
# 0 AMB 20-2:1776 92 LEU HG 2.80 (# 1776:20 Single Ambig)
&rst
ixpk= 1776, nxpk= 20, iat= -1,1081, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1083,1084,1085,1087,1088,1089,1083,1084,1085,1087,
1088,1089,
&end
#
# 0 AMB 20-2:1778 29 GLN HB- 2.80 (# 1778:20 Single Ambig)
&rst
ixpk= 1778, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 52, 53, 52, 53,
igr2= 49, 50,
&end
#
# 138 ARG HN 137 GLU HB- 6.00 (# 1779:20 Unique 2.52, 3.22 A)
&rst
ixpk= 1779, nxpk= 20, iat=1836, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1825,1826,
&end
#
# 161 GLN HA 0 AMB 20-1:1780 3.50 (# 1780:20 Single Ambig)
&rst
ixpk= 1780, nxpk= 20, iat=2194, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=2199,2200,2199,2200,
&end
#
# 161 GLN HN 0 AMB 20-1:1781 4.50 (# 1781:20 Single Ambig)
&rst
ixpk= 1781, nxpk= 20, iat=2192, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=2199,2200,2199,2200,
&end
#
# 30 PRO HA 30 PRO HB+ 2.80 (# 1782:20 Unique 2.30, 2.56 A)
&rst
ixpk= 1782, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 69, 70,
&end
#
# 103 LYS HN 102 VAL HB 6.00 (# 1783:20 Unique 2.76, 2.91 A)
&rst
ixpk= 1783, nxpk= 20, iat=1251,1239, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:1785 0 AMB 20-1:1785 3.50 (# 1785:20 Double Ambig)
&rst
ixpk= 1785, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1009,1025,1026,
igr2=1022,1023,1022,1023,
&end
#
# 31 ARG HN 31 ARG HA 4.50 (# 1786:20 Unique 2.23, 2.82 A)
&rst
ixpk= 1786, nxpk= 20, iat= 76, 78, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 150 GLU HG- 149 ARG HG- 6.00 (# 1790:20 Preassigned 3.53, 6.25 A)
&rst
ixpk= 1790, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=2030,2031,
igr2=2006,2007,
&end
#
# 148 LEU HA 148 LEU HG 4.50 (# 1791:20 Unique 2.26, 3.03 A)
&rst
ixpk= 1791, nxpk= 20, iat=1982,1987, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1792 0 AMB 20-1:1792 4.50 (# 1792:20 Double Ambig)
&rst
ixpk= 1792, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=1982,1962,1925,
igr2=1124,2006,2007,2006,2007,2006,2007,
&end
#
# 32 ILE QD1 32 ILE HA 4.50 (# 1793:20 Unique 2.17, 3.61 A)
&rst
ixpk= 1793, nxpk= 20, iat= -1, 102, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 113, 114, 115,
&end
#
# 32 ILE QG2 32 ILE HA 3.50 (# 1794:20 Unique 2.48, 3.28 A)
&rst
ixpk= 1794, nxpk= 20, iat= -1, 102, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 106, 107, 108,
&end
#
# 32 ILE HG1- 32 ILE HB 3.50 (# 1795:20 Unique 2.41, 2.63 A)
&rst
ixpk= 1795, nxpk= 20, iat= -1, 104, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 110, 111,
&end
#
# 32 ILE HG1+ 32 ILE HB 4.50 (# 1796:20 Unique 2.41, 2.63 A)
&rst
ixpk= 1796, nxpk= 20, iat= -1, 104, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 110, 111,
&end
#
# 32 ILE QG2 32 ILE HB 2.80 (# 1797:20 Unique 2.40, 2.67 A)
&rst
ixpk= 1797, nxpk= 20, iat= -1, 104, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 106, 107, 108,
&end
#
# 32 ILE QD1 32 ILE HB 3.50 (# 1798:20 Unique 2.44, 3.54 A)
&rst
ixpk= 1798, nxpk= 20, iat= -1, 104, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 113, 114, 115,
&end
#
# 0 AMB 20-2:1799 81 ILE HG1- 2.80 (# 1799:20 Single Ambig)
&rst
ixpk= 1799, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 313, 314, 315, 913, 914, 915,
igr2= 910, 911,
&end
#
# 32 ILE QD1 32 ILE HG1+ 2.80 (# 1800:20 Unique 2.34, 2.66 A)
&rst
ixpk= 1800, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 113, 114, 115,
igr2= 110, 111,
&end
#
# 32 ILE QG2 32 ILE HG1+ 3.50 (# 1801:20 Unique 2.23, 3.39 A)
&rst
ixpk= 1801, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 106, 107, 108,
igr2= 110, 111,
&end
#
# 32 ILE HB 32 ILE HG1- 3.50 (# 1804:20 Unique 2.41, 2.63 A)
&rst
ixpk= 1804, nxpk= 20, iat= 104, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 110, 111,
&end
#
# 32 ILE HB 32 ILE HG1+ 4.50 (# 1805:20 Unique 2.41, 2.63 A)
&rst
ixpk= 1805, nxpk= 20, iat= 104, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 110, 111,
&end
#
# 32 ILE HG1- 32 ILE QD1 2.80 (# 1806:20 Unique 2.34, 2.66 A)
&rst
ixpk= 1806, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 110, 111,
igr2= 113, 114, 115,
&end
#
# 32 ILE HG1+ 32 ILE QD1 2.80 (# 1807:20 Unique 2.34, 2.66 A)
&rst
ixpk= 1807, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 110, 111,
igr2= 113, 114, 115,
&end
#
# 31 ARG HB- 32 ILE QD1 4.50 (# 1809:20 Unique 2.16, 6.04 A)
&rst
ixpk= 1809, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 80, 81,
igr2= 113, 114, 115,
&end
#
# 0 AMB 20-2:1810 32 ILE QD1 4.50 (# 1810:20 Single Ambig)
&rst
ixpk= 1810, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 719, 720, 691, 692,
igr2= 113, 114, 115,
&end
#
# 68 GLU HG+ 32 ILE QD1 6.00 (# 1811:20 Unique 2.47, 6.41 A)
&rst
ixpk= 1811, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 691, 692,
igr2= 113, 114, 115,
&end
#
# 32 ILE HA 32 ILE QD1 4.50 (# 1812:20 Unique 2.17, 3.61 A)
&rst
ixpk= 1812, nxpk= 20, iat= 102, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 113, 114, 115,
&end
#
# 0 AMB 20-2:1813 32 ILE QG2 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= 691, 692, 143, 144,
igr2= 106, 107, 108,
&end
#
# 0 AMB 20-2:1814 0 AMB 20-1:1814 6.00 (# 1814:20 Double Ambig)
&rst
ixpk= 1814, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1= 126, 127,2095,2096,
igr2= 106, 107, 108,2044,2045,2046,
&end
#
# 151 ILE HN 151 ILE QG2 4.50 (# 1815:20 Unique 4.45, 4.60 A)
&rst
ixpk= 1815, nxpk= 20, iat=2038, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2044,2045,2046,
&end
#
# 0 AMB 20-2:1816 71 GLU HB- 8.00 (# 1816:20 Single Ambig)
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 747, 119,
igr2= 736, 737,
&end
#
# 71 GLU HA 71 GLU HB+ 4.50 (# 1817:20 Unique 2.32, 2.69 A)
&rst
ixpk= 1817, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 736, 737,
&end
#
# 0 AMB 20-2:1818 0 AMB 20-1:1818 3.50 (# 1818:20 Double Ambig)
&rst
ixpk= 1818, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 126, 127, 126, 127,
igr2= 123, 124, 736, 737,
&end
#
# 33 MET HG+ 71 GLU HB- 4.50 (# 1819:20 Unique 2.45, 4.95 A)
&rst
ixpk= 1819, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 126, 127,
igr2= 736, 737,
&end
#
# 69 VAL MGX 33 MET HB- 4.50 (# 1820:20 Unique 2.26, 4.57 A)
&rst
ixpk= 1820, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 705, 706, 707, 709, 710, 711,
igr2= 123, 124,
&end
#
# 0 AMB 20-2:1821 119 SER HA 3.50 (# 1821:20 Single Ambig)
&rst
ixpk= 1821, nxpk= 20, iat= -1,1553, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1555,1556,1555,1556,
&end
#
# 61 VAL HA 84 THR HB 4.50 (# 1822:20 Unique 2.62, 3.83 A)
&rst
ixpk= 1822, nxpk= 20, iat= 590, 967, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1823 0 AMB 20-1:1823 2.80 (# 1823:20 Double Ambig)
&rst
ixpk= 1823, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 993,1553,
igr2= 995,1588,
&end
#
# 125 THR HA 125 THR HB 3.50 (# 1824:20 Unique 2.32, 2.54 A)
&rst
ixpk= 1824, nxpk= 20, iat=1628,1630, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1825 46 THR HB 6.00 (# 1825:20 Single Ambig)
&rst
ixpk= 1825, nxpk= 20, iat= -1, 347, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=2167,2168,2167,2168,
&end
#
# 46 THR HA 46 THR HB 4.50 (# 1826:20 Unique 2.32, 2.45 A)
&rst
ixpk= 1826, nxpk= 20, iat= 345, 347, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 94 THR HA 94 THR HB 4.50 (# 1827:20 Unique 2.44, 2.74 A)
&rst
ixpk= 1827, nxpk= 20, iat=1105,1107, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1828 0 AMB 20-1:1828 6.00 (# 1828:20 Double Ambig)
&rst
ixpk= 1828, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1838,1294,1898,
igr2=1862,1237,
&end
#
# 94 THR HB 94 THR HA 4.50 (# 1830:20 Unique 2.44, 2.74 A)
&rst
ixpk= 1830, nxpk= 20, iat=1107,1105, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 97 GLY HN 94 THR HA 8.00 (# 1831:20 Unique 3.42, 3.59 A)
&rst
ixpk= 1831, nxpk= 20, iat=1155,1105, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 20-2:1833 102 VAL HA 6.00 (# 1833:20 Single Ambig)
&rst
ixpk= 1833, nxpk= 20, iat= -1,1237, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1253,1183,
&end
#
# 106 ARG HN 102 VAL HA 8.00 (# 1834:20 Unique 3.47, 3.84 A)
&rst
ixpk= 1834, nxpk= 20, iat=1309,1237, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 105 GLN HN 102 VAL HA 6.00 (# 1835:20 Unique 3.32, 3.63 A)
&rst
ixpk= 1835, nxpk= 20, iat=1292,1237, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 103 LYS HN 102 VAL HA 8.00 (# 1836:20 Unique 3.60, 3.63 A)
&rst
ixpk= 1836, nxpk= 20, iat=1251,1237, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 43 LEU HN 40 VAL HA 8.00 (# 1837:20 Unique 3.19, 3.38 A)
&rst
ixpk= 1837, nxpk= 20, iat= 281, 234, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 155 CYS HB- 152 VAL HA 4.50 (# 1838:20 Unique 2.25, 3.39 A)
&rst
ixpk= 1838, nxpk= 20, iat= -1,2059, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2109,2110,
&end
#
# 0 AMB 20-2:1841 63 SER HB- 8.00 (# 1841:20 Single Ambig)
&rst
ixpk= 1841, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 620, 657,
igr2= 624, 625,
&end
#
# 63 SER HA 63 SER HB+ 3.50 (# 1843:20 Unique 2.33, 2.71 A)
&rst
ixpk= 1843, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 624, 625,
&end
#
# 63 SER HA 63 SER HB- 3.50 (# 1844:20 Unique 2.33, 2.71 A)
&rst
ixpk= 1844, nxpk= 20, iat= 622, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 624, 625,
&end
#
# 146 PRO HB- 146 PRO HA 2.80 (# 1845:20 Unique 2.29, 2.57 A)
&rst
ixpk= 1845, nxpk= 20, iat= -1,1962, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1959,1960,
&end
#
# 149 ARG HA 146 PRO HA 8.00 (# 1846:20 Unique 5.29, 5.56 A)
&rst
ixpk= 1846, nxpk= 20, iat=2001,1962, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 50 PRO HD- 50 PRO HA 8.00 (# 1847:20 Unique 3.53, 3.71 A)
&rst
ixpk= 1847, nxpk= 20, iat= -1, 422, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 413, 414,
&end
#
# 130 ASN HN 129 ILE HA 8.00 (# 1849:20 Unique 3.59, 3.62 A)
&rst
ixpk= 1849, nxpk= 20, iat=1701,1684, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 20-2:1851 86 THR HA 6.00 (# 1851:20 Single Ambig)
&rst
ixpk= 1851, nxpk= 20, iat= -1, 993, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1=1149,1150,1151,1011,1012,1013,1015,1016,1017,
&end
#
# 86 THR HB 86 THR HA 3.50 (# 1852:20 Unique 2.35, 2.54 A)
&rst
ixpk= 1852, nxpk= 20, iat= 995, 993, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1854 99 CYS HA 2.80 (# 1854:20 Single Ambig)
&rst
ixpk= 1854, nxpk= 20, iat= -1,1183, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2063,2064,2065,2067,2068,2069,2122,2123,2124,2126,
2127,2128,
&end
#
# 0 AMB 20-2:1855 159 PRO HA 4.50 (# 1855:20 Single Ambig)
&rst
ixpk= 1855, nxpk= 20, iat= -1,2176, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2167,2168,2167,2168,
&end
#
# 109 PRO HD- 109 PRO HA 8.00 (# 1856:20 Unique 3.50, 3.86 A)
&rst
ixpk= 1856, nxpk= 20, iat= -1,1373, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1364,1365,
&end
#
# 124 SER HA 124 SER HB+ 3.50 (# 1857:20 Unique 2.36, 2.60 A)
&rst
ixpk= 1857, nxpk= 20, iat=1617, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1619,1620,
&end
#
# 124 SER HA 124 SER HB- 2.80 (# 1858:20 Unique 2.36, 2.60 A)
&rst
ixpk= 1858, nxpk= 20, iat=1617, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1619,1620,
&end
#
# 30 PRO HD- 30 PRO HA 8.00 (# 1860:20 Unique 3.51, 3.82 A)
&rst
ixpk= 1860, nxpk= 20, iat= -1, 72, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 63, 64,
&end
#
# 48 ARG HB+ 155 CYS HA 2.80 (# 1865:20 Unique 2.11, 2.84 A)
&rst
ixpk= 1865, nxpk= 20, iat= -1,2107, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 380, 381,
&end
#
# 156 VAL HN 155 CYS HA 8.00 (# 1866:20 Unique 3.48, 3.57 A)
&rst
ixpk= 1866, nxpk= 20, iat=2116,2107, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 65 SER HA 65 SER HB+ 3.50 (# 1867:20 Unique 2.39, 2.58 A)
&rst
ixpk= 1867, nxpk= 20, iat= 648, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 650, 651,
&end
#
# 0 AMB 20-2:1870 133 ILE HA 3.50 (# 1870:20 Single Ambig)
&rst
ixpk= 1870, nxpk= 20, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1171,1172,1173,1175,1176,1177,1171,1172,1173,1175,
1176,1177,
&end
#
# 72 ILE QD1 72 ILE HA 4.50 (# 1871:20 Unique 4.49, 4.73 A)
&rst
ixpk= 1871, nxpk= 20, iat= -1, 749, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 760, 761, 762,
&end
#
# 0 AMB 20-2:1872 0 AMB 20-1:1872 4.50 (# 1872:20 Double Ambig)
&rst
ixpk= 1872, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1764,1765, 310, 311, 361,
igr2=1756, 302,
&end
#
# 72 ILE HN 72 ILE HA 4.50 (# 1874:20 Unique 2.96, 2.99 A)
&rst
ixpk= 1874, nxpk= 20, iat= 747, 749, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 86 THR MG2 85 PRO HA 8.00 (# 1875:20 Unique 3.77, 5.01 A)
&rst
ixpk= 1875, nxpk= 20, iat= -1, 987, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr1= 997, 998, 999,
&end
#
# 85 PRO HD+ 85 PRO HA 8.00 (# 1876:20 Unique 3.50, 3.84 A)
&rst
ixpk= 1876, nxpk= 20, iat= -1, 987, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 978, 979,
&end
#
# 87 VAL HN 85 PRO HA 8.00 (# 1878:20 Unique 4.09, 4.38 A)
&rst
ixpk= 1878, nxpk= 20, iat=1005, 987, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 91 SER HA 0 AMB 20-1:1879 2.80 (# 1879:20 Single Ambig)
&rst
ixpk= 1879, nxpk= 20, iat=1065, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=1067,1068,1067,1068,
&end
#
# 40 VAL MGX 41 TYR HA 3.50 (# 1882:20 Preassigned 3.45, 5.64 A)
&rst
ixpk= 1882, nxpk= 20, iat= -1, 250, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 238, 239, 240, 242, 243, 244,
&end
#
# 41 TYR HB- 41 TYR HA 4.50 (# 1883:20 Unique 2.27, 2.71 A)
&rst
ixpk= 1883, nxpk= 20, iat= -1, 250, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 252, 253,
&end
#
# 0 AMB 20-2:1884 0 AMB 20-1:1884 8.00 (# 1884:20 Double Ambig)
&rst
ixpk= 1884, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.74, r4=12.49,
igr1= 300,1117,
igr2= 250,1067,1068,1067,1068,
&end
#
# 47 ILE HA 156 VAL HA 6.00 (# 1886:20 Unique 2.89, 3.26 A)
&rst
ixpk= 1886, nxpk= 20, iat= 359,2118, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 125 THR HB 125 THR HA 4.50 (# 1887:20 Unique 2.32, 2.54 A)
&rst
ixpk= 1887, nxpk= 20, iat=1630,1628, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 LEU HN 69 VAL HA 6.00 (# 1888:20 Unique 4.74, 4.87 A)
&rst
ixpk= 1888, nxpk= 20, iat= 846, 701, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 46 THR HB 46 THR HA 4.50 (# 1889:20 Unique 2.32, 2.45 A)
&rst
ixpk= 1889, nxpk= 20, iat= 347, 345, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1890 91 SER HA 3.50 (# 1890:20 Single Ambig)
&rst
ixpk= 1890, nxpk= 20, iat= -1,1065, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1067,1068,1067,1068,
&end
#
# 124 SER HB- 124 SER HA 3.50 (# 1891:20 Unique 2.36, 2.60 A)
&rst
ixpk= 1891, nxpk= 20, iat= -1,1617, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1619,1620,
&end
#
# 0 AMB 20-2:1892 80 ILE HA 6.00 (# 1892:20 Single Ambig)
&rst
ixpk= 1892, nxpk= 20, iat= -1, 883, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1494, 902,
&end
#
# 66 CYS HB+ 66 CYS HA 3.50 (# 1893:20 Unique 2.27, 2.71 A)
&rst
ixpk= 1893, nxpk= 20, iat= -1, 659, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 661, 662,
&end
#
# 35 GLU HG- 35 GLU HA 2.80 (# 1896:20 Unique 2.49, 2.89 A)
&rst
ixpk= 1896, nxpk= 20, iat= -1, 153, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 158, 159,
&end
#
# 0 AMB 20-2:1897 103 LYS HA 4.50 (# 1897:20 Single Ambig)
&rst
ixpk= 1897, nxpk= 20, iat= -1,1253, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1241,1242,1243,1245,1246,1247, 370, 371, 372,
&end
#
# 103 LYS HG+ 103 LYS HA 4.50 (# 1898:20 Unique 2.29, 3.04 A)
&rst
ixpk= 1898, nxpk= 20, iat= -1,1253, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1258,1259,
&end
#
# 104 LEU HN 103 LYS HA 8.00 (# 1899:20 Unique 3.60, 3.63 A)
&rst
ixpk= 1899, nxpk= 20, iat=1273,1253, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 143 MET ME 149 ARG HA 4.50 (# 1900:20 Unique 2.35, 3.17 A)
&rst
ixpk= 1900, nxpk= 20, iat= -1,2001, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1917,1918,1919,
&end
#
# 150 GLU HA 149 ARG HA 6.00 (# 1901:20 Unique 4.70, 4.82 A)
&rst
ixpk= 1901, nxpk= 20, iat=2025,2001, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:1902 149 ARG HA 6.00 (# 1902:20 Single Ambig)
&rst
ixpk= 1902, nxpk= 20, iat= -1,2001, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1982,1962,
&end
#
# 0 AMB 20-2:1903 0 AMB 20-1:1903 2.80 (# 1903:20 Double Ambig)
&rst
ixpk= 1903, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1644,1645, 224, 225, 221, 222,
igr2=1553, 219,
&end
#
# 39 GLU HN 39 GLU HA 2.80 (# 1905:20 Unique 2.83, 2.84 A)
&rst
ixpk= 1905, nxpk= 20, iat= 217, 219, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 119 SER HN 118 ILE HA 4.50 (# 1906:20 Unique 2.21, 2.38 A)
&rst
ixpk= 1906, nxpk= 20, iat=1551,1534, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 ILE QD1 81 ILE HA 4.50 (# 1907:20 Unique 2.43, 4.11 A)
&rst
ixpk= 1907, nxpk= 20, iat= -1, 902, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 913, 914, 915,
&end
#
# 81 ILE QG2 81 ILE HA 3.50 (# 1908:20 Unique 2.29, 3.02 A)
&rst
ixpk= 1908, nxpk= 20, iat= -1, 902, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 906, 907, 908,
&end
#
# 81 ILE HG1+ 81 ILE HA 4.50 (# 1909:20 Preassigned 2.40, 3.27 A)
&rst
ixpk= 1909, nxpk= 20, iat= -1, 902, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 910, 911,
&end
#
# 0 AMB 20-2:1910 81 ILE HA 4.50 (# 1910:20 Single Ambig)
&rst
ixpk= 1910, nxpk= 20, iat= -1, 902, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 910, 911, 926, 927,
&end
#
# 0 AMB 20-2:1911 81 ILE HA 6.00 (# 1911:20 Single Ambig)
&rst
ixpk= 1911, nxpk= 20, iat= -1, 902, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 904, 926, 927,
&end
#
# 116 ILE HB 116 ILE HA 4.50 (# 1914:20 Unique 2.41, 2.81 A)
&rst
ixpk= 1914, nxpk= 20, iat=1496,1494, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 117 TYR HD 116 ILE HA 6.00 (# 1916:20 Unique 2.76, 4.97 A)
&rst
ixpk= 1916, nxpk= 20, iat= -1,1494, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1519,1528,
&end
#
# 82 ARG HN 81 ILE HA 3.50 (# 1917:20 Unique 2.08, 2.14 A)
&rst
ixpk= 1917, nxpk= 20, iat= 919, 902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 81 ILE HN 116 ILE HA 6.00 (# 1918:20 Unique 2.48, 2.73 A)
&rst
ixpk= 1918, nxpk= 20, iat= 900,1494, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 117 TYR HN 116 ILE HA 3.50 (# 1919:20 Unique 2.04, 2.16 A)
&rst
ixpk= 1919, nxpk= 20, iat=1511,1494, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 GLU HN 81 ILE HA 8.00 (# 1920:20 Unique 3.31, 3.55 A)
&rst
ixpk= 1920, nxpk= 20, iat= 684, 902, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 20-2:1921 57 GLU HA 4.50 (# 1921:20 Single Ambig)
&rst
ixpk= 1921, nxpk= 20, iat= -1, 526, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 575, 624, 625,
&end
#
# 0 AMB 20-2:1922 131 LYS HA 4.50 (# 1922:20 Single Ambig)
&rst
ixpk= 1922, nxpk= 20, iat= -1,1717, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1725,1726,1725,1726,
&end
#
# 137 GLU HB- 137 GLU HA 2.80 (# 1923:20 Unique 2.42, 2.76 A)
&rst
ixpk= 1923, nxpk= 20, iat= -1,1823, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1825,1826,
&end
#
# 0 AMB 20-2:1924 131 LYS HA 6.00 (# 1924:20 Single Ambig)
&rst
ixpk= 1924, nxpk= 20, iat= -1,1717, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1703,1672,
&end
#
# 140 ALA HN 137 GLU HA 3.50 (# 1925:20 Unique 3.22, 3.38 A)
&rst
ixpk= 1925, nxpk= 20, iat=1876,1823, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 138 ARG HG+ 132 GLN HA 4.50 (# 1928:20 Unique 2.32, 3.42 A)
&rst
ixpk= 1928, nxpk= 20, iat= -1,1739, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1843,1844,
&end
#
# 149 ARG HG- 150 GLU HA 4.50 (# 1929:20 Preassigned 3.40, 4.48 A)
&rst
ixpk= 1929, nxpk= 20, iat= -1,2025, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2006,2007,
&end
#
# 65 SER HB- 65 SER HA 3.50 (# 1930:20 Unique 2.39, 2.58 A)
&rst
ixpk= 1930, nxpk= 20, iat= -1, 648, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 650, 651,
&end
#
# 65 SER HB+ 65 SER HA 3.50 (# 1931:20 Unique 2.39, 2.58 A)
&rst
ixpk= 1931, nxpk= 20, iat= -1, 648, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 650, 651,
&end
#
# 0 AMB 20-2:1932 0 AMB 20-1:1932 2.80 (# 1932:20 Double Ambig)
&rst
ixpk= 1932, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 784, 785, 784, 785, 543, 544,
igr2= 782, 541,
&end
#
# 138 ARG HB- 138 ARG HA 2.80 (# 1935:20 Unique 2.43, 2.77 A)
&rst
ixpk= 1935, nxpk= 20, iat= -1,1838, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1840,1841,
&end
#
# 0 AMB 20-2:1936 0 AMB 20-1:1936 2.80 (# 1936:20 Double Ambig)
&rst
ixpk= 1936, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 221, 222,1840,1841,
igr2= 168,1838,
&end
#
# 39 GLU HB+ 36 LYS HA 3.50 (# 1937:20 Unique 2.33, 3.36 A)
&rst
ixpk= 1937, nxpk= 20, iat= -1, 168, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 221, 222,
&end
#
# 38 LEU HN 36 LYS HA 4.50 (# 1938:20 Preassigned 4.31, 4.45 A)
&rst
ixpk= 1938, nxpk= 20, iat= 198, 168, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 153 GLU HN 153 GLU HA 3.50 (# 1940:20 Unique 2.82, 2.85 A)
&rst
ixpk= 1940, nxpk= 20, iat=2073,2075, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 156 VAL HN 154 GLN HA 6.00 (# 1941:20 Unique 4.19, 4.49 A)
&rst
ixpk= 1941, nxpk= 20, iat=2116,2090, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:1942 153 GLU HA 3.50 (# 1942:20 Single Ambig)
&rst
ixpk= 1942, nxpk= 20, iat= -1,2075, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2080,2081,2080,2081,
&end
#
# 153 GLU HB- 153 GLU HA 3.50 (# 1944:20 Unique 2.37, 2.77 A)
&rst
ixpk= 1944, nxpk= 20, iat= -1,2075, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2077,2078,
&end
#
# 44 ILE QD1 45 ARG HA 4.50 (# 1945:20 Unique 2.57, 5.20 A)
&rst
ixpk= 1945, nxpk= 20, iat= -1, 321, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 313, 314, 315,
&end
#
# 100 LEU HB+ 100 LEU HA 2.80 (# 1947:20 Unique 2.38, 2.79 A)
&rst
ixpk= 1947, nxpk= 20, iat= -1,1194, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1196,1197,
&end
#
# 88 PRO HD- 87 VAL HA 2.80 (# 1948:20 Unique 2.15, 2.37 A)
&rst
ixpk= 1948, nxpk= 20, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1022,1023,
&end
#
# 0 AMB 20-2:1949 98 LEU HA 3.50 (# 1949:20 Single Ambig)
&rst
ixpk= 1949, nxpk= 20, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1215,1216,1215,1216,
&end
#
# 101 ARG HN 98 LEU HA 4.50 (# 1950:20 Unique 3.54, 3.67 A)
&rst
ixpk= 1950, nxpk= 20, iat=1211,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1951 95 LEU HA 2.80 (# 1951:20 Single Ambig)
&rst
ixpk= 1951, nxpk= 20, iat= -1,1119, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1166,1167,1121,1122,
&end
#
# 108 LEU HG 104 LEU HA 6.00 (# 1956:20 Unique 2.48, 3.90 A)
&rst
ixpk= 1956, nxpk= 20, iat=1351,1275, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:1957 77 TYR HA 6.00 (# 1957:20 Single Ambig)
&rst
ixpk= 1957, nxpk= 20, iat= -1, 827, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
igr1= 705, 706, 707, 709, 710, 711, 753, 754, 755, 855,
856, 857, 859, 860, 861,
&end
#
# 72 ILE HA 77 TYR HA 4.50 (# 1959:20 Unique 4.30, 4.55 A)
&rst
ixpk= 1959, nxpk= 20, iat= 749, 827, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 77 TYR HD 77 TYR HA 6.00 (# 1961:20 Unique 2.36, 3.78 A)
&rst
ixpk= 1961, nxpk= 20, iat= -1, 827, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 833, 842,
&end
#
# 0 AMB 20-2:1962 77 TYR HA 4.50 (# 1962:20 Single Ambig)
&rst
ixpk= 1962, nxpk= 20, iat= -1, 827, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 825, 766,
&end
#
# 72 ILE HN 77 TYR HA 4.50 (# 1963:20 Unique 2.02, 2.18 A)
&rst
ixpk= 1963, nxpk= 20, iat= 747, 827, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 78 LEU HN 77 TYR HA 4.50 (# 1964:20 Unique 2.19, 2.27 A)
&rst
ixpk= 1964, nxpk= 20, iat= 846, 827, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 38 LEU MDY 38 LEU HA 2.80 (# 1965:20 Unique 2.20, 3.89 A)
&rst
ixpk= 1965, nxpk= 20, iat= -1, 200, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 207, 208, 209, 211, 212, 213,
&end
#
# 120 GLU HB- 120 GLU HA 2.80 (# 1966:20 Unique 2.29, 2.72 A)
&rst
ixpk= 1966, nxpk= 20, iat= -1,1564, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1566,1567,
&end
#
# 59 LEU HB- 56 LEU HA 6.00 (# 1967:20 Unique 2.33, 3.23 A)
&rst
ixpk= 1967, nxpk= 20, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 558, 559,
&end
#
# 148 LEU HG 148 LEU HA 3.50 (# 1968:20 Unique 2.26, 3.03 A)
&rst
ixpk= 1968, nxpk= 20, iat=1987,1982, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 GLU HG+ 71 GLU HA 3.50 (# 1969:20 Unique 2.40, 2.98 A)
&rst
ixpk= 1969, nxpk= 20, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 739, 740,
&end
#
# 45 ARG HD- 42 ASP HA 4.50 (# 1970:20 Unique 1.97, 3.42 A)
&rst
ixpk= 1970, nxpk= 20, iat= -1, 271, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 329, 330,
&end
#
# 151 ILE HN 148 LEU HA 6.00 (# 1971:20 Unique 3.35, 3.56 A)
&rst
ixpk= 1971, nxpk= 20, iat=2038,1982, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 148 LEU HN 148 LEU HA 4.50 (# 1972:20 Unique 2.85, 2.89 A)
&rst
ixpk= 1972, nxpk= 20, iat=1980,1982, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 51 GLU HG+ 51 GLU HA 3.50 (# 1973:20 Unique 2.37, 3.00 A)
&rst
ixpk= 1973, nxpk= 20, iat= -1, 428, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 433, 434,
&end
#
# 43 LEU HB- 43 LEU HA 2.80 (# 1974:20 Unique 2.47, 2.84 A)
&rst
ixpk= 1974, nxpk= 20, iat= -1, 283, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 285, 286,
&end
#
# 144 GLU HG+ 144 GLU HA 2.80 (# 1975:20 Unique 2.40, 2.96 A)
&rst
ixpk= 1975, nxpk= 20, iat= -1,1925, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1930,1931,
&end
#
# 0 AMB 20-2:1977 0 AMB 20-1:1977 6.00 (# 1977:20 Double Ambig)
&rst
ixpk= 1977, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1657,1717,
igr2=1672,1703,
&end
#
# 0 AMB 20-2:1978 128 ASP HA 4.50 (# 1978:20 Single Ambig)
&rst
ixpk= 1978, nxpk= 20, iat= -1,1672, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1715,1737,
&end
#
# 96 ILE HB 93 ALA HA 4.50 (# 1979:20 Unique 2.49, 2.72 A)
&rst
ixpk= 1979, nxpk= 20, iat=1140,1095, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 83 PHE HE 93 ALA HA 4.50 (# 1980:20 Unique 2.23, 5.06 A)
&rst
ixpk= 1980, nxpk= 20, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 953, 957,
&end
#
# 76 GLU HG- 76 GLU HA 4.50 (# 1981:20 Unique 2.37, 3.11 A)
&rst
ixpk= 1981, nxpk= 20, iat= -1, 812, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 817, 818,
&end
#
# 89 HIS HB+ 89 HIS HA 2.80 (# 1982:20 Unique 2.40, 2.73 A)
&rst
ixpk= 1982, nxpk= 20, iat= -1,1037, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1039,1040,
&end
#
# 150 GLU HB- 147 ASN HA 4.50 (# 1983:20 Unique 2.72, 3.56 A)
&rst
ixpk= 1983, nxpk= 20, iat= -1,1968, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2027,2028,
&end
#
# 150 GLU HB+ 147 ASN HA 3.50 (# 1984:20 Unique 2.72, 3.56 A)
&rst
ixpk= 1984, nxpk= 20, iat= -1,1968, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2027,2028,
&end
#
# 133 ILE HG1- 130 ASN HA 4.50 (# 1985:20 Unique 2.08, 2.83 A)
&rst
ixpk= 1985, nxpk= 20, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1764,1765,
&end
#
# 133 ILE HN 130 ASN HA 4.50 (# 1986:20 Unique 3.41, 3.63 A)
&rst
ixpk= 1986, nxpk= 20, iat=1754,1703, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1988 0 AMB 20-1:1988 4.50 (# 1988:20 Double Ambig)
&rst
ixpk= 1988, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1767,1768,1769,1467,1468,1469,1471,1472,1473,
igr2=1703,1438,
&end
#
# 130 ASN HB- 130 ASN HA 3.50 (# 1989:20 Unique 2.21, 2.70 A)
&rst
ixpk= 1989, nxpk= 20, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1705,1706,
&end
#
# 141 ALA HA 140 ALA HA 6.00 (# 1991:20 Preassigned 4.84, 4.85 A)
&rst
ixpk= 1991, nxpk= 20, iat=1888,1878, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 141 ALA HN 140 ALA HA 4.50 (# 1992:20 Unique 3.57, 3.58 A)
&rst
ixpk= 1992, nxpk= 20, iat=1886,1878, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:1994 158 GLU HA 2.80 (# 1994:20 Single Ambig)
&rst
ixpk= 1994, nxpk= 20, iat= -1,2153, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2167,2168,2167,2168,
&end
#
# 53 PRO HD- 52 LYS HA 2.80 (# 1995:20 Unique 2.04, 2.44 A)
&rst
ixpk= 1995, nxpk= 20, iat= -1, 443, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 464, 465,
&end
#
# 50 PRO HD+ 49 ASP HA 3.50 (# 2000:20 Unique 2.00, 2.44 A)
&rst
ixpk= 2000, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 413, 414,
&end
#
# 49 ASP HB+ 49 ASP HA 4.50 (# 2005:20 Unique 2.38, 2.73 A)
&rst
ixpk= 2005, nxpk= 20, iat= -1, 402, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 404, 405,
&end
#
# 114 LEU HN 114 LEU HA 8.00 (# 2007:20 Unique 2.96, 2.99 A)
&rst
ixpk= 2007, nxpk= 20, iat=1458,1460, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 110 PHE HN 110 PHE HA 6.00 (# 2008:20 Unique 2.81, 2.89 A)
&rst
ixpk= 2008, nxpk= 20, iat=1377,1379, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 110 PHE HD 110 PHE HA 4.50 (# 2009:20 Unique 2.32, 3.74 A)
&rst
ixpk= 2009, nxpk= 20, iat= -1,1379, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1385,1393,
&end
#
# 111 LYS HN 110 PHE HA 3.50 (# 2010:20 Unique 2.11, 2.40 A)
&rst
ixpk= 2010, nxpk= 20, iat=1397,1379, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 108 LEU MDX 108 LEU HA 4.50 (# 2011:20 Unique 2.17, 3.90 A)
&rst
ixpk= 2011, nxpk= 20, iat= -1,1346, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 109 PRO HD+ 108 LEU HA 4.50 (# 2012:20 Unique 1.99, 2.44 A)
&rst
ixpk= 2012, nxpk= 20, iat= -1,1346, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1364,1365,
&end
#
# 145 ASN HN 146 PRO HD+ 8.00 (# 2015:20 Unique 4.44, 4.94 A)
&rst
ixpk= 2015, nxpk= 20, iat=1938, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1953,1954,
&end
#
# 145 ASN HN 146 PRO HD- 8.00 (# 2016:20 Unique 4.44, 4.94 A)
&rst
ixpk= 2016, nxpk= 20, iat=1938, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1953,1954,
&end
#
# 49 ASP HA 50 PRO HD+ 4.50 (# 2018:20 Unique 2.00, 2.44 A)
&rst
ixpk= 2018, nxpk= 20, iat= 402, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 413, 414,
&end
#
# 159 PRO HA 159 PRO HD- 4.50 (# 2021:20 Preassigned 3.51, 3.80 A)
&rst
ixpk= 2021, nxpk= 20, iat=2176, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2167,2168,
&end
#
# 158 GLU HA 0 AMB 20-1:2022 2.80 (# 2022:20 Single Ambig)
&rst
ixpk= 2022, nxpk= 20, iat=2153, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=2167,2168,2167,2168,
&end
#
# 29 GLN HA 30 PRO HD- 2.80 (# 2025:20 Unique 2.08, 2.43 A)
&rst
ixpk= 2025, nxpk= 20, iat= 47, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 63, 64,
&end
#
# 30 PRO HA 30 PRO HD- 4.50 (# 2026:20 Unique 3.51, 3.82 A)
&rst
ixpk= 2026, nxpk= 20, iat= 72, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 63, 64,
&end
#
# 85 PRO HG- 85 PRO HD- 4.50 (# 2030:20 Unique 2.32, 2.62 A)
&rst
ixpk= 2030, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 981, 982,
igr2= 978, 979,
&end
#
# 120 GLU HB+ 85 PRO HD- 4.50 (# 2031:20 Unique 2.21, 4.90 A)
&rst
ixpk= 2031, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1566,1567,
igr2= 978, 979,
&end
#
# 52 LYS HG- 53 PRO HD- 6.00 (# 2036:20 Unique 2.47, 5.01 A)
&rst
ixpk= 2036, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 448, 449,
igr2= 464, 465,
&end
#
# 52 LYS HA 53 PRO HD+ 2.80 (# 2037:20 Unique 2.04, 2.44 A)
&rst
ixpk= 2037, nxpk= 20, iat= 443, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 464, 465,
&end
#
# 52 LYS HA 53 PRO HD- 2.80 (# 2038:20 Unique 2.04, 2.44 A)
&rst
ixpk= 2038, nxpk= 20, iat= 443, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 464, 465,
&end
#
# 100 LEU MDY 97 GLY HA- 4.50 (# 2039:20 Unique 2.26, 5.55 A)
&rst
ixpk= 2039, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1201,1202,1203,1205,1206,1207,
igr2=1157,1158,
&end
#
# 97 GLY HN 97 GLY HA- 4.50 (# 2043:20 Unique 2.29, 2.59 A)
&rst
ixpk= 2043, nxpk= 20, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1157,1158,
&end
#
# 98 LEU HN 97 GLY HA+ 6.00 (# 2044:20 Unique 2.76, 3.22 A)
&rst
ixpk= 2044, nxpk= 20, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1157,1158,
&end
#
# 0 AMB 20-2:2045 0 AMB 20-1:2045 4.50 (# 2045:20 Double Ambig)
&rst
ixpk= 2045, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1564,1588,
igr2=1579,1580,1579,1580,
&end
#
# 120 GLU HA 121 GLY HA- 4.50 (# 2046:20 Unique 4.24, 4.64 A)
&rst
ixpk= 2046, nxpk= 20, iat=1564, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1579,1580,
&end
#
# 58 GLU HB+ 54 ASN HB+ 6.00 (# 2049:20 Unique 2.27, 3.52 A)
&rst
ixpk= 2049, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 543, 544,
igr2= 481, 482,
&end
#
# 54 ASN HA 54 ASN HB+ 4.50 (# 2050:20 Unique 2.44, 2.77 A)
&rst
ixpk= 2050, nxpk= 20, iat= 479, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 481, 482,
&end
#
# 0 AMB 20-2:2051 0 AMB 20-1:2051 2.80 (# 2051:20 Double Ambig)
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.79, r4= 6.54,
igr1=1465,1467,1468,1469,1471,1472,1473, 871, 872, 873,
875, 876, 877,
igr2=1462,1463,1462,1463,1462,1463,
&end
#
# 114 LEU MDY 114 LEU HB+ 4.50 (# 2053:20 Unique 2.39, 3.45 A)
&rst
ixpk= 2053, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1467,1468,1469,1471,1472,1473,
igr2=1462,1463,
&end
#
# 0 AMB 20-2:2054 114 LEU HB- 3.50 (# 2054:20 Single Ambig)
&rst
ixpk= 2054, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.02, r4= 6.77,
igr1=1465,1467,1468,1469,1471,1472,1473, 871, 872, 873,
875, 876, 877,
igr2=1462,1463,
&end
#
# 114 LEU MDY 114 LEU HB- 4.50 (# 2055:20 Unique 2.39, 3.45 A)
&rst
ixpk= 2055, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1467,1468,1469,1471,1472,1473,
igr2=1462,1463,
&end
#
# 59 LEU MDY 54 ASN HB- 4.50 (# 2057:20 Unique 2.26, 4.25 A)
&rst
ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 563, 564, 565, 567, 568, 569,
igr2= 481, 482,
&end
#
# 52 LYS HG- 54 ASN HB- 6.00 (# 2058:20 Unique 2.47, 5.78 A)
&rst
ixpk= 2058, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 448, 449,
igr2= 481, 482,
&end
#
# 0 AMB 20-2:2059 54 ASN HB- 4.50 (# 2059:20 Single Ambig)
&rst
ixpk= 2059, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 445, 446, 451, 452,
igr2= 481, 482,
&end
#
# 0 AMB 20-2:2060 0 AMB 20-1:2060 2.80 (# 2060:20 Double Ambig)
&rst
ixpk= 2060, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 855, 856, 857, 859, 860, 861, 855, 856, 857, 859,
860, 861,
igr2= 850, 851, 850, 851,
&end
#
# 0 AMB 20-2:2062 78 LEU HB- 3.50 (# 2062:20 Single Ambig)
&rst
ixpk= 2062, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 855, 856, 857, 859, 860, 861, 855, 856, 857, 859,
860, 861,
igr2= 850, 851,
&end
#
# 59 LEU HG 49 ASP HB+ 3.50 (# 2064:20 Unique 2.52, 3.61 A)
&rst
ixpk= 2064, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 404, 405,
&end
#
# 49 ASP HA 49 ASP HB+ 6.00 (# 2067:20 Unique 2.38, 2.73 A)
&rst
ixpk= 2067, nxpk= 20, iat= 402, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 404, 405,
&end
#
# 52 LYS HN 49 ASP HB+ 6.00 (# 2068:20 Unique 2.46, 3.42 A)
&rst
ixpk= 2068, nxpk= 20, iat= 441, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 404, 405,
&end
#
# 0 AMB 20-2:2069 43 LEU HB- 3.50 (# 2069:20 Single Ambig)
&rst
ixpk= 2069, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.02, r4= 6.77,
igr1= 288,1282,1283,1284,1286,1287,1288,1282,1283,1284,
1286,1287,1288,
igr2= 285, 286,
&end
#
# 0 AMB 20-2:2070 43 LEU HB- 3.50 (# 2070:20 Single Ambig)
&rst
ixpk= 2070, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 290, 291, 292, 294, 295, 296, 306, 307, 308,
igr2= 285, 286,
&end
#
# 0 AMB 20-2:2071 43 LEU HB- 6.00 (# 2071:20 Single Ambig)
&rst
ixpk= 2071, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1277,1278, 304,
igr2= 285, 286,
&end
#
# 0 AMB 20-2:2073 0 AMB 20-1:2073 3.50 (# 2073:20 Double Ambig)
&rst
ixpk= 2073, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.23, r4= 7.98,
igr1= 288,1282,1283,1284,1286,1287,1288,1282,1283,1284,
1286,1287,1288,
igr2= 285, 286, 285, 286, 285, 286,
&end
#
# 0 AMB 20-2:2075 0 AMB 20-1:2075 3.50 (# 2075:20 Double Ambig)
&rst
ixpk= 2075, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 290, 291, 292, 294, 295, 296, 306, 307, 308,
igr2= 285, 286, 285, 286,
&end
#
# 0 AMB 20-2:2076 0 AMB 20-1:2076 6.00 (# 2076:20 Double Ambig)
&rst
ixpk= 2076, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1277,1278, 304,
igr2= 285, 286, 285, 286,
&end
#
# 40 VAL HA 43 LEU HB+ 8.00 (# 2077:20 Unique 2.39, 2.89 A)
&rst
ixpk= 2077, nxpk= 20, iat= 234, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 285, 286,
&end
#
# 44 ILE HN 43 LEU HB+ 8.00 (# 2078:20 Unique 2.48, 3.17 A)
&rst
ixpk= 2078, nxpk= 20, iat= 300, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 285, 286,
&end
#
# 41 TYR HE 45 ARG HD+ 8.00 (# 2083:20 Unique 2.41, 4.27 A)
&rst
ixpk= 2083, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 258, 263,
igr2= 329, 330,
&end
#
# 41 TYR HE 45 ARG HD- 8.00 (# 2084:20 Unique 2.41, 4.27 A)
&rst
ixpk= 2084, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 258, 263,
igr2= 329, 330,
&end
#
# 45 ARG HN 45 ARG HD+ 8.00 (# 2085:20 Unique 3.70, 4.59 A)
&rst
ixpk= 2085, nxpk= 20, iat= 319, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 329, 330,
&end
#
# 45 ARG HN 45 ARG HD- 8.00 (# 2086:20 Unique 3.70, 4.59 A)
&rst
ixpk= 2086, nxpk= 20, iat= 319, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 329, 330,
&end
#
# 59 LEU HG 49 ASP HB- 4.50 (# 2087:20 Unique 2.52, 3.61 A)
&rst
ixpk= 2087, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 404, 405,
&end
#
# 0 AMB 20-2:2088 0 AMB 20-1:2088 8.00 (# 2088:20 Double Ambig)
&rst
ixpk= 2088, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=14.54, r4=15.29,
igr1= 481, 482, 430, 431, 416, 417,
igr2= 404, 405, 404, 405, 404, 405,
&end
#
# 49 ASP HA 49 ASP HB- 6.00 (# 2090:20 Unique 2.38, 2.73 A)
&rst
ixpk= 2090, nxpk= 20, iat= 402, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 404, 405,
&end
#
# 49 ASP HN 49 ASP HB- 6.00 (# 2091:20 Unique 2.30, 2.50 A)
&rst
ixpk= 2091, nxpk= 20, iat= 400, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 404, 405,
&end
#
# 52 LYS HN 49 ASP HB- 6.00 (# 2092:20 Unique 2.46, 3.42 A)
&rst
ixpk= 2092, nxpk= 20, iat= 441, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 404, 405,
&end
#
# 52 LYS HB- 49 ASP HB- 6.00 (# 2093:20 Unique 2.13, 3.53 A)
&rst
ixpk= 2093, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 445, 446,
igr2= 404, 405,
&end
#
# 0 AMB 20-2:2098 48 ARG HD- 2.80 (# 2098:20 Single Ambig)
&rst
ixpk= 2098, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 383, 384, 380, 381,
igr2= 386, 387,
&end
#
# 53 PRO HA 48 ARG HD- 4.50 (# 2099:20 Unique 2.17, 3.79 A)
&rst
ixpk= 2099, nxpk= 20, iat= 473, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 386, 387,
&end
#
# 53 PRO HA 48 ARG HD+ 4.50 (# 2100:20 Unique 2.17, 3.79 A)
&rst
ixpk= 2100, nxpk= 20, iat= 473, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 386, 387,
&end
#
# 48 ARG HE 48 ARG HD- 6.00 (# 2101:20 Unique 2.37, 2.82 A)
&rst
ixpk= 2101, nxpk= 20, iat= 389, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 386, 387,
&end
#
# 0 AMB 20-2:2102 0 AMB 20-1:2102 2.80 (# 2102:20 Double Ambig)
&rst
ixpk= 2102, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 926, 927, 923, 924,
igr2= 929, 930, 929, 930, 929, 930,
&end
#
# 117 TYR HD 0 AMB 20-1:2103 8.00 (# 2103:20 Single Ambig)
&rst
ixpk= 2103, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.31, r4=12.06,
igr1=1519,1528,
igr2= 929, 930, 929, 930,
&end
#
# 149 ARG HB- 149 ARG HD- 4.50 (# 2105:20 Unique 2.39, 3.19 A)
&rst
ixpk= 2105, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2003,2004,
igr2=2009,2010,
&end
#
# 143 MET ME 149 ARG HD- 4.50 (# 2106:20 Unique 3.30, 5.63 A)
&rst
ixpk= 2106, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1917,1918,1919,
igr2=2009,2010,
&end
#
# 149 ARG HA 149 ARG HD- 4.50 (# 2109:20 Unique 4.12, 4.57 A)
&rst
ixpk= 2109, nxpk= 20, iat=2001, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2009,2010,
&end
#
# 143 MET HA 149 ARG HD+ 8.00 (# 2110:20 Unique 2.54, 4.49 A)
&rst
ixpk= 2110, nxpk= 20, iat=1908, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=2009,2010,
&end
#
# 143 MET HA 149 ARG HD- 6.00 (# 2111:20 Unique 2.54, 4.49 A)
&rst
ixpk= 2111, nxpk= 20, iat=1908, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2009,2010,
&end
#
# 61 VAL MGY 59 LEU HB+ 6.00 (# 2112:20 Unique 2.28, 4.85 A)
&rst
ixpk= 2112, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 594, 595, 596, 598, 599, 600,
igr2= 558, 559,
&end
#
# 0 AMB 20-2:2113 0 AMB 20-1:2113 4.50 (# 2113:20 Double Ambig)
&rst
ixpk= 2113, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 563, 564, 565, 567, 568, 569, 514, 515, 516, 518,
519, 520,
igr2= 558, 559, 558, 559,
&end
#
# 61 VAL MGY 59 LEU HB- 6.00 (# 2114:20 Unique 2.28, 4.85 A)
&rst
ixpk= 2114, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 594, 595, 596, 598, 599, 600,
igr2= 558, 559,
&end
#
# 100 LEU MDY 100 LEU HB- 6.00 (# 2115:20 Unique 2.37, 3.35 A)
&rst
ixpk= 2115, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1201,1202,1203,1205,1206,1207,
igr2=1196,1197,
&end
#
# 0 AMB 20-2:2116 0 AMB 20-1:2116 2.80 (# 2116:20 Double Ambig)
&rst
ixpk= 2116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1171,1172,1173,1175,1176,1177, 306, 307, 308,1989,
1990,1991,1993,1994,1995,
igr2=1166,1167,1196,1197,1121,1122,
&end
#
# 157 LEU MDY 157 LEU HB- 2.80 (# 2117:20 Preassigned 2.36, 3.29 A)
&rst
ixpk= 2117, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2141,2142,2143,2145,2146,2147,
igr2=2136,2137,
&end
#
# 161 GLN HB+ 162 LEU HB- 4.50 (# 2121:20 Preassigned 4.39, 5.84 A)
&rst
ixpk= 2121, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2196,2197,
igr2=2213,2214,
&end
#
# 0 AMB 20-2:2122 0 AMB 20-1:2122 2.80 (# 2122:20 Double Ambig)
&rst
ixpk= 2122, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2139,1078,1079,
igr2=2136,2137,1121,1122,
&end
#
# 0 AMB 20-2:2124 0 AMB 20-1:2124 3.50 (# 2124:20 Double Ambig)
&rst
ixpk= 2124, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1124,1078,1079,
igr2=1121,1122,1121,1122,
&end
#
# 43 LEU MDY 103 LYS HE- 4.50 (# 2126:20 Unique 2.15, 4.78 A)
&rst
ixpk= 2126, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 290, 291, 292, 294, 295, 296,
igr2=1264,1265,
&end
#
# 103 LYS HG- 103 LYS HE- 8.00 (# 2127:20 Unique 2.34, 2.92 A)
&rst
ixpk= 2127, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=1258,1259,
igr2=1264,1265,
&end
#
# 103 LYS HG+ 103 LYS HE+ 6.00 (# 2128:20 Unique 2.34, 2.92 A)
&rst
ixpk= 2128, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1258,1259,
igr2=1264,1265,
&end
#
# 103 LYS HG+ 103 LYS HE- 4.50 (# 2129:20 Unique 2.34, 2.92 A)
&rst
ixpk= 2129, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1258,1259,
igr2=1264,1265,
&end
#
# 103 LYS HD+ 103 LYS HE+ 3.50 (# 2130:20 Unique 2.33, 2.73 A)
&rst
ixpk= 2130, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1261,1262,
igr2=1264,1265,
&end
#
# 103 LYS HD+ 103 LYS HE- 4.50 (# 2131:20 Unique 2.33, 2.73 A)
&rst
ixpk= 2131, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1261,1262,
igr2=1264,1265,
&end
#
# 0 AMB 20-2:2137 0 AMB 20-1:2137 3.50 (# 2137:20 Double Ambig)
&rst
ixpk= 2137, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1=2063,2064,2065,2067,2068,2069,1760,1761,1762,
igr2=1166,1167,1166,1167,1121,1122,
&end
#
# 0 AMB 20-2:2138 0 AMB 20-1:2138 2.80 (# 2138:20 Double Ambig)
&rst
ixpk= 2138, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1083,1084,1085,1087,1088,1089,1083,1084,1085,1087,
1088,1089,
igr2=1078,1079,1078,1079,
&end
#
# 0 AMB 20-2:2139 92 LEU HB- 2.80 (# 2139:20 Single Ambig)
&rst
ixpk= 2139, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1083,1084,1085,1087,1088,1089,1083,1084,1085,1087,
1088,1089,
igr2=1078,1079,
&end
#
# 0 AMB 20-2:2140 98 LEU HB- 4.50 (# 2140:20 Single Ambig)
&rst
ixpk= 2140, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=2063,2064,2065,2067,2068,2069,1760,1761,1762,
igr2=1166,1167,
&end
#
# 162 LEU MDY 162 LEU HB+ 2.80 (# 2141:20 Unique 2.36, 3.35 A)
&rst
ixpk= 2141, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2218,2219,2220,2222,2223,2224,
igr2=2213,2214,
&end
#
# 0 AMB 20-2:2144 92 LEU HB- 4.50 (# 2144:20 Single Ambig)
&rst
ixpk= 2144, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1121,1122, 981, 982,
igr2=1078,1079,
&end
#
# 0 AMB 20-2:2150 56 LEU HB- 3.50 (# 2150:20 Single Ambig)
&rst
ixpk= 2150, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 514, 515, 516, 518, 519, 520, 363, 364, 365,
igr2= 509, 510,
&end
#
# 0 AMB 20-2:2151 98 LEU HB- 4.50 (# 2151:20 Single Ambig)
&rst
ixpk= 2151, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1239, 416, 417, 416, 417,
igr2=1166,1167,
&end
#
# 100 LEU MDY 100 LEU HB+ 4.50 (# 2154:20 Unique 2.37, 3.35 A)
&rst
ixpk= 2154, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1201,1202,1203,1205,1206,1207,
igr2=1196,1197,
&end
#
# 100 LEU MDX 100 LEU HB+ 6.00 (# 2155:20 Unique 2.37, 3.35 A)
&rst
ixpk= 2155, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1201,1202,1203,1205,1206,1207,
igr2=1196,1197,
&end
#
# 100 LEU MDX 100 LEU HB- 8.00 (# 2156:20 Unique 2.37, 3.35 A)
&rst
ixpk= 2156, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1=1201,1202,1203,1205,1206,1207,
igr2=1196,1197,
&end
#
# 0 AMB 20-2:2157 0 AMB 20-1:2157 4.50 (# 2157:20 Double Ambig)
&rst
ixpk= 2157, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
igr1=1505,1506,1507, 913, 914, 915, 514, 515, 516, 518,
519, 520,
igr2=1196,1197,1196,1197,1196,1197,
&end
#
# 101 ARG HN 100 LEU HB+ 8.00 (# 2159:20 Unique 2.16, 2.90 A)
&rst
ixpk= 2159, nxpk= 20, iat=1211, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1196,1197,
&end
#
# 135 ASP HA 135 ASP HB- 4.50 (# 2160:20 Unique 2.39, 2.74 A)
&rst
ixpk= 2160, nxpk= 20, iat=1789, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1791,1792,
&end
#
# 52 LYS HA 52 LYS HE- 4.50 (# 2161:20 Unique 2.78, 4.67 A)
&rst
ixpk= 2161, nxpk= 20, iat= 443, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 454, 455,
&end
#
# 138 ARG HD+ 135 ASP HB- 6.00 (# 2163:20 Unique 2.09, 5.31 A)
&rst
ixpk= 2163, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1846,1847,
igr2=1791,1792,
&end
#
# 0 AMB 20-2:2165 0 AMB 20-1:2165 4.50 (# 2165:20 Double Ambig)
&rst
ixpk= 2165, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 855, 856, 857, 859, 860, 861, 855, 856, 857, 859,
860, 861,
igr2=1449,1450,1449,1450,
&end
#
# 72 ILE QD1 113 LYS HE+ 4.50 (# 2166:20 Unique 2.08, 3.96 A)
&rst
ixpk= 2166, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 760, 761, 762,
igr2=1449,1450,
&end
#
# 113 LYS HG+ 113 LYS HE+ 2.80 (# 2167:20 Unique 2.43, 3.26 A)
&rst
ixpk= 2167, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1443,1444,
igr2=1449,1450,
&end
#
# 0 AMB 20-2:2168 0 AMB 20-1:2168 2.80 (# 2168:20 Double Ambig)
&rst
ixpk= 2168, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1446,1447,1446,1447,
igr2=1449,1450,1449,1450,
&end
#
# 0 AMB 20-2:2169 0 AMB 20-1:2169 2.80 (# 2169:20 Double Ambig)
&rst
ixpk= 2169, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
igr1= 451, 452,1809,1810,1809,1810,1809,1810,1407,1408,
1407,1408,
igr2= 454, 455,1812,1813,1812,1813,1812,1813,1410,1411,
1410,1411,
&end
#
# 0 AMB 20-2:2170 0 AMB 20-1:2170 2.80 (# 2170:20 Double Ambig)
&rst
ixpk= 2170, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 448, 449,1404,1405,
igr2= 454, 455,1410,1411,
&end
#
# 62 VAL MGX 56 LEU HB+ 6.00 (# 2171:20 Unique 2.16, 4.09 A)
&rst
ixpk= 2171, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 610, 611, 612, 614, 615, 616,
igr2= 509, 510,
&end
#
# 56 LEU HG 56 LEU HB+ 4.50 (# 2172:20 Unique 2.36, 2.73 A)
&rst
ixpk= 2172, nxpk= 20, iat= 512, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 509, 510,
&end
#
# 100 LEU MDY 83 PHE HB+ 6.00 (# 2176:20 Unique 2.48, 4.87 A)
&rst
ixpk= 2176, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1201,1202,1203,1205,1206,1207,
igr2= 947, 948,
&end
#
# 62 VAL MGY 83 PHE HB+ 4.50 (# 2177:20 Unique 2.43, 5.46 A)
&rst
ixpk= 2177, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 610, 611, 612, 614, 615, 616,
igr2= 947, 948,
&end
#
# 62 VAL MGY 83 PHE HB- 4.50 (# 2179:20 Unique 2.43, 5.46 A)
&rst
ixpk= 2179, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 610, 611, 612, 614, 615, 616,
igr2= 947, 948,
&end
#
# 0 AMB 20-2:2189 0 AMB 20-1:2189 4.50 (# 2189:20 Double Ambig)
&rst
ixpk= 2189, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.30, r4=10.05,
igr1=1282,1283,1284,1286,1287,1288,1282,1283,1284,1286,
1287,1288, 288,
igr2=1348,1349,1348,1349,1348,1349,
&end
#
# 108 LEU MDY 108 LEU HB- 4.50 (# 2191:20 Unique 2.32, 3.33 A)
&rst
ixpk= 2191, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1353,1354,1355,1357,1358,1359,
igr2=1348,1349,
&end
#
# 108 LEU MDX 108 LEU HB- 4.50 (# 2192:20 Unique 2.32, 3.33 A)
&rst
ixpk= 2192, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1353,1354,1355,1357,1358,1359,
igr2=1348,1349,
&end
#
# 0 AMB 20-2:2193 81 ILE HB 2.80 (# 2193:20 Single Ambig)
&rst
ixpk= 2193, nxpk= 20, iat= -1, 904, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1498,1499,1500, 906, 907, 908,
&end
#
# 81 ILE QD1 81 ILE HB 3.50 (# 2194:20 Unique 2.44, 3.47 A)
&rst
ixpk= 2194, nxpk= 20, iat= -1, 904, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 913, 914, 915,
&end
#
# 81 ILE HG1+ 81 ILE HB 3.50 (# 2195:20 Unique 2.36, 2.64 A)
&rst
ixpk= 2195, nxpk= 20, iat= -1, 904, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 910, 911,
&end
#
# 148 LEU MDY 148 LEU HB+ 2.80 (# 2196:20 Unique 2.35, 3.33 A)
&rst
ixpk= 2196, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1989,1990,1991,1993,1994,1995,
igr2=1984,1985,
&end
#
# 148 LEU MDY 148 LEU HB- 4.50 (# 2197:20 Unique 2.35, 3.33 A)
&rst
ixpk= 2197, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1989,1990,1991,1993,1994,1995,
igr2=1984,1985,
&end
#
# 148 LEU MDX 148 LEU HB- 3.50 (# 2198:20 Unique 2.35, 3.33 A)
&rst
ixpk= 2198, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1989,1990,1991,1993,1994,1995,
igr2=1984,1985,
&end
#
# 148 LEU MDX 148 LEU HB+ 2.80 (# 2199:20 Unique 2.35, 3.33 A)
&rst
ixpk= 2199, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1989,1990,1991,1993,1994,1995,
igr2=1984,1985,
&end
#
# 148 LEU HG 148 LEU HB- 4.50 (# 2201:20 Unique 2.44, 2.78 A)
&rst
ixpk= 2201, nxpk= 20, iat=1987, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1984,1985,
&end
#
# 148 LEU HG 148 LEU HB+ 4.50 (# 2202:20 Unique 2.44, 2.78 A)
&rst
ixpk= 2202, nxpk= 20, iat=1987, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1984,1985,
&end
#
# 149 ARG HN 148 LEU HB+ 4.50 (# 2206:20 Unique 2.46, 3.01 A)
&rst
ixpk= 2206, nxpk= 20, iat=1999, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1984,1985,
&end
#
# 0 AMB 20-2:2207 77 TYR HB- 6.00 (# 2207:20 Single Ambig)
&rst
ixpk= 2207, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
igr1= 705, 706, 707, 709, 710, 711, 871, 872, 873, 875,
876, 877,
igr2= 829, 830,
&end
#
# 0 AMB 20-2:2208 0 AMB 20-1:2208 6.00 (# 2208:20 Double Ambig)
&rst
ixpk= 2208, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.44, r4=12.19,
igr1=1659,1660,1659,1660, 123, 124, 736, 737,
igr2=1674,1675,1674,1675, 829, 830,
&end
#
# 78 LEU HA 77 TYR HB- 8.00 (# 2210:20 Unique 4.40, 4.95 A)
&rst
ixpk= 2210, nxpk= 20, iat= 848, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 829, 830,
&end
#
# 77 TYR HD 77 TYR HB- 4.50 (# 2211:20 Unique 2.28, 3.08 A)
&rst
ixpk= 2211, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 833, 842,
igr2= 829, 830,
&end
#
# 131 LYS HB- 128 ASP HB- 4.50 (# 2213:20 Unique 4.21, 5.56 A)
&rst
ixpk= 2213, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1719,1720,
igr2=1674,1675,
&end
#
# 129 ILE HN 128 ASP HB- 6.00 (# 2216:20 Unique 2.65, 3.37 A)
&rst
ixpk= 2216, nxpk= 20, iat=1682, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1674,1675,
&end
#
# 0 AMB 20-2:2219 0 AMB 20-1:2219 2.80 (# 2219:20 Double Ambig)
&rst
ixpk= 2219, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
igr1= 173, 174, 207, 208, 209, 211, 212, 213,
igr2= 179, 180, 202, 203,
&end
#
# 38 LEU MDX 38 LEU HB- 2.80 (# 2220:20 Unique 2.38, 3.31 A)
&rst
ixpk= 2220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 207, 208, 209, 211, 212, 213,
igr2= 202, 203,
&end
#
# 37 ALA MB 38 LEU HB+ 6.00 (# 2221:20 Unique 4.88, 6.36 A)
&rst
ixpk= 2221, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 192, 193, 194,
igr2= 202, 203,
&end
#
# 37 ALA MB 38 LEU HB- 4.50 (# 2222:20 Unique 4.88, 6.36 A)
&rst
ixpk= 2222, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 192, 193, 194,
igr2= 202, 203,
&end
#
# 36 LYS HD- 36 LYS HE+ 4.50 (# 2224:20 Unique 2.36, 2.75 A)
&rst
ixpk= 2224, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 176, 177,
igr2= 179, 180,
&end
#
# 36 LYS HD- 36 LYS HE- 4.50 (# 2225:20 Unique 2.36, 2.75 A)
&rst
ixpk= 2225, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 176, 177,
igr2= 179, 180,
&end
#
# 36 LYS HG- 36 LYS HE+ 4.50 (# 2226:20 Unique 2.29, 3.01 A)
&rst
ixpk= 2226, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 173, 174,
igr2= 179, 180,
&end
#
# 0 AMB 20-2:2227 0 AMB 20-1:2227 4.50 (# 2227:20 Double Ambig)
&rst
ixpk= 2227, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.63, r4=10.38,
igr1=2199,2200,2199,2200,2199,2200,2173,2174,2173,2174,
2158,2159,
igr2=2184,2185,2184,2185,2184,2185,2184,2185,
&end
#
# 0 AMB 20-2:2228 0 AMB 20-1:2228 6.00 (# 2228:20 Double Ambig)
&rst
ixpk= 2228, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=2176,2194,
igr2=2184,2185,2184,2185,2184,2185,
&end
#
# 160 ASP HA 0 AMB 20-1:2229 2.80 (# 2229:20 Single Ambig)
&rst
ixpk= 2229, nxpk= 20, iat=2182, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2=2184,2185,2184,2185,
&end
#
# 160 ASP HN 0 AMB 20-1:2231 3.50 (# 2231:20 Single Ambig)
&rst
ixpk= 2231, nxpk= 20, iat=2180, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=2184,2185,2184,2185,
&end
#
# 161 GLN HN 0 AMB 20-1:2232 4.50 (# 2232:20 Single Ambig)
&rst
ixpk= 2232, nxpk= 20, iat=2192, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=2184,2185,2184,2185,
&end
#
# 80 ILE QD1 80 ILE HB 3.50 (# 2233:20 Unique 2.47, 3.17 A)
&rst
ixpk= 2233, nxpk= 20, iat= -1, 885, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 894, 895, 896,
&end
#
# 80 ILE QG2 80 ILE HB 2.80 (# 2234:20 Unique 2.46, 2.67 A)
&rst
ixpk= 2234, nxpk= 20, iat= -1, 885, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 887, 888, 889,
&end
#
# 80 ILE HG1- 80 ILE HB 4.50 (# 2235:20 Unique 2.45, 2.76 A)
&rst
ixpk= 2235, nxpk= 20, iat= -1, 885, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 891, 892,
&end
#
# 0 AMB 20-2:2236 80 ILE HB 2.80 (# 2236:20 Single Ambig)
&rst
ixpk= 2236, nxpk= 20, iat= -1, 885, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 688, 689, 688, 689,
&end
#
# 70 GLN HG- 80 ILE HB 8.00 (# 2237:20 Unique 4.39, 6.08 A)
&rst
ixpk= 2237, nxpk= 20, iat= -1, 885, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 722, 723,
&end
#
# 0 AMB 20-2:2242 0 AMB 20-1:2242 3.50 (# 2242:20 Double Ambig)
&rst
ixpk= 2242, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 271, 219,
igr2= 273, 274, 273, 274,
&end
#
# 0 AMB 20-2:2243 42 ASP HB- 3.50 (# 2243:20 Single Ambig)
&rst
ixpk= 2243, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 271, 219,
igr2= 273, 274,
&end
#
# 128 ASP HA 128 ASP HB+ 3.50 (# 2244:20 Unique 2.44, 2.76 A)
&rst
ixpk= 2244, nxpk= 20, iat=1672, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1674,1675,
&end
#
# 128 ASP HN 128 ASP HB+ 4.50 (# 2245:20 Unique 2.37, 2.65 A)
&rst
ixpk= 2245, nxpk= 20, iat=1670, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1674,1675,
&end
#
# 0 AMB 20-2:2246 0 AMB 20-1:2246 8.00 (# 2246:20 Double Ambig)
&rst
ixpk= 2246, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.31, r4=12.06,
igr1=1737,1715,
igr2=1674,1675,1674,1675,
&end
#
# 43 LEU HN 42 ASP HB+ 6.00 (# 2247:20 Unique 2.74, 3.48 A)
&rst
ixpk= 2247, nxpk= 20, iat= 281, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 273, 274,
&end
#
# 129 ILE HN 128 ASP HB+ 4.50 (# 2248:20 Unique 2.65, 3.37 A)
&rst
ixpk= 2248, nxpk= 20, iat=1682, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1674,1675,
&end
#
# 42 ASP HN 42 ASP HB+ 3.50 (# 2249:20 Unique 2.26, 2.50 A)
&rst
ixpk= 2249, nxpk= 20, iat= 269, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 273, 274,
&end
#
# 116 ILE QD1 116 ILE HB 3.50 (# 2250:20 Unique 2.39, 3.28 A)
&rst
ixpk= 2250, nxpk= 20, iat= -1,1496, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1505,1506,1507,
&end
#
# 0 AMB 20-2:2251 104 LEU HB- 4.50 (# 2251:20 Single Ambig)
&rst
ixpk= 2251, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1282,1283,1284,1286,1287,1288,1282,1283,1284,1286,
1287,1288,
igr2=1277,1278,
&end
#
# 0 AMB 20-2:2252 104 LEU HB- 6.00 (# 2252:20 Single Ambig)
&rst
ixpk= 2252, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.31, r4=10.06,
igr1=1467,1468,1469,1471,1472,1473,1465,
igr2=1277,1278,
&end
#
# 104 LEU HN 104 LEU HB- 8.00 (# 2255:20 Unique 2.23, 2.99 A)
&rst
ixpk= 2255, nxpk= 20, iat=1273, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1277,1278,
&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=1282,1283,1284,1286,1287,1288,1282,1283,1284,1286,
1287,1288,
igr2=1277,1278,1277,1278,
&end
#
# 0 AMB 20-2:2257 0 AMB 20-1:2257 6.00 (# 2257:20 Double Ambig)
&rst
ixpk= 2257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.46, r4=11.21,
igr1=1467,1468,1469,1471,1472,1473,1465,
igr2=1277,1278,1277,1278,
&end
#
# 73 ASN HA 0 AMB 20-1:2262 2.80 (# 2262:20 Single Ambig)
&rst
ixpk= 2262, nxpk= 20, iat= 768, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 770, 771, 770, 771,
&end
#
# 76 GLU HG- 0 AMB 20-1:2263 4.50 (# 2263:20 Single Ambig)
&rst
ixpk= 2263, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 817, 818,
igr2= 770, 771, 770, 771,
&end
#
# 142 ALA HA 145 ASN HB+ 6.00 (# 2266:20 Unique 2.57, 3.32 A)
&rst
ixpk= 2266, nxpk= 20, iat=1898, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1942,1943,
&end
#
# 142 ALA HA 145 ASN HB- 8.00 (# 2267:20 Unique 2.57, 3.32 A)
&rst
ixpk= 2267, nxpk= 20, iat=1898, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1942,1943,
&end
#
# 0 AMB 20-2:2268 0 AMB 20-1:2268 8.00 (# 2268:20 Double Ambig)
&rst
ixpk= 2268, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.31, r4=12.06,
igr1=1966,1896,
igr2=1942,1943,1942,1943,
&end
#
# 72 ILE QG2 72 ILE HB 2.80 (# 2269:20 Unique 2.45, 2.67 A)
&rst
ixpk= 2269, nxpk= 20, iat= -1, 751, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 753, 754, 755,
&end
#
# 72 ILE QD1 72 ILE HB 2.80 (# 2270:20 Unique 2.41, 3.11 A)
&rst
ixpk= 2270, nxpk= 20, iat= -1, 751, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 760, 761, 762,
&end
#
# 72 ILE HG1+ 72 ILE HB 3.50 (# 2271:20 Unique 2.47, 2.80 A)
&rst
ixpk= 2271, nxpk= 20, iat= -1, 751, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 757, 758,
&end
#
# 72 ILE HG1- 72 ILE HB 4.50 (# 2272:20 Unique 2.47, 2.80 A)
&rst
ixpk= 2272, nxpk= 20, iat= -1, 751, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 757, 758,
&end
#
# 76 GLU HG- 72 ILE HB 6.00 (# 2273:20 Unique 2.21, 3.64 A)
&rst
ixpk= 2273, nxpk= 20, iat= -1, 751, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 817, 818,
&end
#
# 118 ILE HG1- 118 ILE HB 6.00 (# 2274:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2274, nxpk= 20, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1542,1543,
&end
#
# 0 AMB 20-2:2275 118 ILE HB 4.50 (# 2275:20 Single Ambig)
&rst
ixpk= 2275, nxpk= 20, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
igr1=1542,1543,1767,1768,1769,
&end
#
# 118 ILE QG2 118 ILE HB 4.50 (# 2276:20 Unique 2.37, 2.65 A)
&rst
ixpk= 2276, nxpk= 20, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1538,1539,1540,
&end
#
# 0 AMB 20-2:2278 0 AMB 20-1:2278 6.00 (# 2278:20 Double Ambig)
&rst
ixpk= 2278, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1982,1962,
igr2=1970,1971,1970,1971,1970,1971,
&end
#
# 151 ILE HG1+ 151 ILE HB 4.50 (# 2279:20 Unique 2.59, 2.83 A)
&rst
ixpk= 2279, nxpk= 20, iat= -1,2042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2048,2049,
&end
#
# 151 ILE HG1- 151 ILE HB 4.50 (# 2280:20 Unique 2.59, 2.83 A)
&rst
ixpk= 2280, nxpk= 20, iat= -1,2042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2048,2049,
&end
#
# 0 AMB 20-2:2281 151 ILE HB 2.80 (# 2281:20 Single Ambig)
&rst
ixpk= 2281, nxpk= 20, iat= -1,2042, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=2051,2052,2053,1126,1127,1128,1130,1131,1132,
&end
#
# 148 LEU HA 151 ILE HB 4.50 (# 2283:20 Unique 2.47, 2.79 A)
&rst
ixpk= 2283, nxpk= 20, iat=1982,2042, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 41 TYR HA 41 TYR HB+ 6.00 (# 2288:20 Unique 2.27, 2.71 A)
&rst
ixpk= 2288, nxpk= 20, iat= 250, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 252, 253,
&end
#
# 38 LEU HA 41 TYR HB+ 6.00 (# 2289:20 Unique 2.44, 3.23 A)
&rst
ixpk= 2289, nxpk= 20, iat= 200, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 252, 253,
&end
#
# 38 LEU HA 41 TYR HB- 4.50 (# 2290:20 Unique 2.44, 3.23 A)
&rst
ixpk= 2290, nxpk= 20, iat= 200, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 252, 253,
&end
#
# 41 TYR HD 41 TYR HB+ 4.50 (# 2291:20 Unique 2.28, 3.09 A)
&rst
ixpk= 2291, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 256, 265,
igr2= 252, 253,
&end
#
# 41 TYR HN 41 TYR HB+ 4.50 (# 2294:20 Unique 2.14, 2.52 A)
&rst
ixpk= 2294, nxpk= 20, iat= 248, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 252, 253,
&end
#
# 42 ASP HN 41 TYR HB- 8.00 (# 2296:20 Unique 2.51, 3.34 A)
&rst
ixpk= 2296, nxpk= 20, iat= 269, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 252, 253,
&end
#
# 130 ASN HA 130 ASN HB+ 4.50 (# 2299:20 Unique 2.21, 2.70 A)
&rst
ixpk= 2299, nxpk= 20, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1705,1706,
&end
#
# 0 AMB 20-2:2301 47 ILE HB 3.50 (# 2301:20 Single Ambig)
&rst
ixpk= 2301, nxpk= 20, iat= -1, 361, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 367, 368, 367, 368,
&end
#
# 133 ILE HG1+ 133 ILE HB 4.50 (# 2303:20 Unique 2.29, 2.71 A)
&rst
ixpk= 2303, nxpk= 20, iat= -1,1758, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1764,1765,
&end
#
# 133 ILE HG1- 133 ILE HB 4.50 (# 2304:20 Unique 2.29, 2.71 A)
&rst
ixpk= 2304, nxpk= 20, iat= -1,1758, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1764,1765,
&end
#
# 0 AMB 20-2:2305 44 ILE HB 4.50 (# 2305:20 Single Ambig)
&rst
ixpk= 2305, nxpk= 20, iat= -1, 304, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1201,1202,1203,1205,1206,1207, 610, 611, 612, 614,
615, 616,
&end
#
# 0 AMB 20-2:2306 44 ILE HB 2.80 (# 2306:20 Single Ambig)
&rst
ixpk= 2306, nxpk= 20, iat= -1, 304, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 370, 371, 372, 313, 314, 315,
&end
#
# 44 ILE HG1- 44 ILE HB 6.00 (# 2307:20 Unique 2.43, 2.77 A)
&rst
ixpk= 2307, nxpk= 20, iat= -1, 304, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 310, 311,
&end
#
# 44 ILE HG1+ 44 ILE HB 6.00 (# 2308:20 Unique 2.43, 2.77 A)
&rst
ixpk= 2308, nxpk= 20, iat= -1, 304, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 310, 311,
&end
#
# 129 ILE HG1- 129 ILE HB 4.50 (# 2309:20 Unique 2.37, 2.69 A)
&rst
ixpk= 2309, nxpk= 20, iat= -1,1686, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1692,1693,
&end
#
# 129 ILE QG2 129 ILE HB 2.80 (# 2310:20 Unique 2.41, 2.68 A)
&rst
ixpk= 2310, nxpk= 20, iat= -1,1686, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1688,1689,1690,
&end
#
# 129 ILE HG1+ 129 ILE HB 4.50 (# 2311:20 Unique 2.37, 2.69 A)
&rst
ixpk= 2311, nxpk= 20, iat= -1,1686, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1692,1693,
&end
#
# 0 AMB 20-2:2312 47 ILE HB 2.80 (# 2312:20 Single Ambig)
&rst
ixpk= 2312, nxpk= 20, iat= -1, 361, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 514, 515, 516, 518, 519, 520, 370, 371, 372, 363,
364, 365,
&end
#
# 96 ILE QD1 96 ILE HB 4.50 (# 2313:20 Unique 2.42, 3.08 A)
&rst
ixpk= 2313, nxpk= 20, iat= -1,1140, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1149,1150,1151,
&end
#
# 0 AMB 20-2:2314 58 GLU HG- 4.50 (# 2314:20 Single Ambig)
&rst
ixpk= 2314, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 543, 544, 528, 529,
igr2= 546, 547,
&end
#
# 58 GLU HB- 58 GLU HG+ 4.50 (# 2315:20 Unique 2.37, 2.71 A)
&rst
ixpk= 2315, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 543, 544,
igr2= 546, 547,
&end
#
# 58 GLU HA 58 GLU HG- 4.50 (# 2318:20 Unique 2.38, 3.01 A)
&rst
ixpk= 2318, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 546, 547,
&end
#
# 58 GLU HA 58 GLU HG+ 4.50 (# 2319:20 Unique 2.38, 3.01 A)
&rst
ixpk= 2319, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 546, 547,
&end
#
# 126 GLU HA 129 ILE HB 8.00 (# 2320:20 Unique 2.27, 2.56 A)
&rst
ixpk= 2320, nxpk= 20, iat=1642,1686, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 96 ILE HA 96 ILE HB 8.00 (# 2321:20 Unique 3.04, 3.05 A)
&rst
ixpk= 2321, nxpk= 20, iat=1138,1140, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 20-2:2323 0 AMB 20-1:2323 4.50 (# 2323:20 Double Ambig)
&rst
ixpk= 2323, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1083,1084,1085,1087,1088,1089,1083,1084,1085,1087,
1088,1089,
igr2= 433, 434, 433, 434,
&end
#
# 0 AMB 20-2:2324 0 AMB 20-1:2324 4.50 (# 2324:20 Double Ambig)
&rst
ixpk= 2324, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1083,1084,1085,1087,1088,1089,1083,1084,1085,1087,
1088,1089, 106, 107, 108,
igr2= 433, 434, 691, 692,
&end
#
# 0 AMB 20-2:2325 0 AMB 20-1:2325 4.50 (# 2325:20 Double Ambig)
&rst
ixpk= 2325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 451, 452, 419, 420,
igr2= 433, 434, 433, 434,
&end
#
# 0 AMB 20-2:2326 51 GLU HG- 4.50 (# 2326:20 Single Ambig)
&rst
ixpk= 2326, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 451, 452, 419, 420,
igr2= 433, 434,
&end
#
# 71 GLU HA 71 GLU HG- 4.50 (# 2327:20 Unique 2.40, 2.98 A)
&rst
ixpk= 2327, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 739, 740,
&end
#
# 72 ILE QD1 76 GLU HG- 4.50 (# 2328:20 Unique 2.22, 4.38 A)
&rst
ixpk= 2328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 760, 761, 762,
igr2= 817, 818,
&end
#
# 0 AMB 20-2:2329 68 GLU HG- 4.50 (# 2329:20 Single Ambig)
&rst
ixpk= 2329, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 113, 114, 115, 894, 895, 896,
igr2= 691, 692,
&end
#
# 38 LEU MDY 64 GLU HG+ 4.50 (# 2330:20 Unique 2.35, 5.80 A)
&rst
ixpk= 2330, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 207, 208, 209, 211, 212, 213,
igr2= 638, 639,
&end
#
# 38 LEU MDY 64 GLU HG- 4.50 (# 2331:20 Unique 2.35, 5.80 A)
&rst
ixpk= 2331, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 207, 208, 209, 211, 212, 213,
igr2= 638, 639,
&end
#
# 0 AMB 20-2:2332 0 AMB 20-1:2332 2.80 (# 2332:20 Double Ambig)
&rst
ixpk= 2332, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
igr1= 751, 814, 815, 83, 84,
igr2= 817, 818, 739, 740,
&end
#
# 0 AMB 20-2:2333 0 AMB 20-1:2333 2.80 (# 2333:20 Double Ambig)
&rst
ixpk= 2333, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 814, 815, 83, 84,1440,1441,
igr2= 817, 818, 739, 740,
&end
#
# 64 GLU HB+ 64 GLU HG+ 3.50 (# 2336:20 Unique 2.26, 2.73 A)
&rst
ixpk= 2336, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 635, 636,
igr2= 638, 639,
&end
#
# 64 GLU HB+ 64 GLU HG- 2.80 (# 2337:20 Unique 2.26, 2.73 A)
&rst
ixpk= 2337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 635, 636,
igr2= 638, 639,
&end
#
# 72 ILE QG2 76 GLU HG- 4.50 (# 2340:20 Unique 2.98, 5.07 A)
&rst
ixpk= 2340, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 753, 754, 755,
igr2= 817, 818,
&end
#
# 68 GLU HA 68 GLU HG+ 4.50 (# 2342:20 Unique 2.37, 2.89 A)
&rst
ixpk= 2342, nxpk= 20, iat= 686, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 691, 692,
&end
#
# 60 GLU HA 60 GLU HG+ 3.50 (# 2343:20 Unique 2.50, 2.86 A)
&rst
ixpk= 2343, nxpk= 20, iat= 575, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 580, 581,
&end
#
# 137 GLU HA 137 GLU HG- 2.80 (# 2344:20 Unique 2.42, 2.92 A)
&rst
ixpk= 2344, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1828,1829,
&end
#
# 0 AMB 20-2:2347 0 AMB 20-1:2347 4.50 (# 2347:20 Double Ambig)
&rst
ixpk= 2347, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 113, 114, 115, 894, 895, 896,
igr2= 691, 692, 691, 692,
&end
#
# 0 AMB 20-2:2348 137 GLU HG- 4.50 (# 2348:20 Single Ambig)
&rst
ixpk= 2348, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1806,1807,1890,1891,1892,
igr2=1828,1829,
&end
#
# 0 AMB 20-2:2349 0 AMB 20-1:2349 4.50 (# 2349:20 Double Ambig)
&rst
ixpk= 2349, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1407,1408,1407,1408,1809,1810,1809,1810,
igr2= 802, 803, 802, 803,1828,1829,
&end
#
# 140 ALA MB 144 GLU HG- 6.00 (# 2351:20 Unique 3.65, 7.01 A)
&rst
ixpk= 2351, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1880,1881,1882,
igr2=1930,1931,
&end
#
# 137 GLU HN 137 GLU HG+ 4.50 (# 2352:20 Unique 2.30, 3.32 A)
&rst
ixpk= 2352, nxpk= 20, iat=1821, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1828,1829,
&end
#
# 0 AMB 20-2:2353 0 AMB 20-1:2353 3.50 (# 2353:20 Double Ambig)
&rst
ixpk= 2353, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 795, 699,1562,
igr2= 802, 803, 691, 692,1569,1570,1569,1570,
&end
#
# 150 GLU HN 150 GLU HG+ 4.50 (# 2354:20 Unique 2.31, 3.69 A)
&rst
ixpk= 2354, nxpk= 20, iat=2023, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2030,2031,
&end
#
# 138 ARG HN 137 GLU HG+ 6.00 (# 2355:20 Unique 3.79, 4.68 A)
&rst
ixpk= 2355, nxpk= 20, iat=1836, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1828,1829,
&end
#
# 0 AMB 20-2:2356 0 AMB 20-1:2356 4.50 (# 2356:20 Double Ambig)
&rst
ixpk= 2356, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1806,1807,1890,1891,1892,
igr2=1828,1829,1828,1829,
&end
#
# 137 GLU HA 137 GLU HG+ 3.50 (# 2357:20 Unique 2.42, 2.92 A)
&rst
ixpk= 2357, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1828,1829,
&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= 4.44, r4= 5.19,
igr1=1825,1826, 140, 141,
igr2=1828,1829, 143, 144,
&end
#
# 78 LEU MDY 115 GLU HG- 3.50 (# 2360:20 Unique 2.35, 5.01 A)
&rst
ixpk= 2360, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 855, 856, 857, 859, 860, 861,
igr2=1484,1485,
&end
#
# 78 LEU MDY 115 GLU HG+ 3.50 (# 2361:20 Unique 2.35, 5.01 A)
&rst
ixpk= 2361, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 855, 856, 857, 859, 860, 861,
igr2=1484,1485,
&end
#
# 0 AMB 20-2:2362 158 GLU HG- 4.50 (# 2362:20 Single Ambig)
&rst
ixpk= 2362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=2141,2142,2143,2145,2146,2147,2141,2142,2143,2145,
2146,2147,
igr2=2158,2159,
&end
#
# 144 GLU HB- 144 GLU HG- 2.80 (# 2363:20 Unique 2.38, 2.72 A)
&rst
ixpk= 2363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1927,1928,
igr2=1930,1931,
&end
#
# 39 GLU HA 39 GLU HG+ 2.80 (# 2366:20 Unique 2.35, 2.81 A)
&rst
ixpk= 2366, nxpk= 20, iat= 219, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 224, 225,
&end
#
# 144 GLU HA 144 GLU HG- 3.50 (# 2367:20 Unique 2.40, 2.96 A)
&rst
ixpk= 2367, nxpk= 20, iat=1925, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1930,1931,
&end
#
# 151 ILE HN 150 GLU HG+ 4.50 (# 2369:20 Unique 3.56, 4.63 A)
&rst
ixpk= 2369, nxpk= 20, iat=2038, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2030,2031,
&end
#
# 40 VAL HN 39 GLU HG+ 8.00 (# 2370:20 Unique 4.53, 4.83 A)
&rst
ixpk= 2370, nxpk= 20, iat= 232, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 224, 225,
&end
#
# 126 GLU HN 0 AMB 20-1:2372 4.50 (# 2372:20 Single Ambig)
&rst
ixpk= 2372, nxpk= 20, iat=1640, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1647,1648,1647,1648,
&end
#
# 127 GLU HN 0 AMB 20-1:2373 3.50 (# 2373:20 Single Ambig)
&rst
ixpk= 2373, nxpk= 20, iat=1655, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1647,1648,1647,1648,
&end
#
# 158 GLU HA 158 GLU HG- 4.50 (# 2376:20 Unique 2.39, 3.56 A)
&rst
ixpk= 2376, nxpk= 20, iat=2153, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2158,2159,
&end
#
# 158 GLU HA 158 GLU HG+ 3.50 (# 2377:20 Unique 2.39, 3.56 A)
&rst
ixpk= 2377, nxpk= 20, iat=2153, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2158,2159,
&end
#
# 0 AMB 20-2:2378 0 AMB 20-1:2378 2.80 (# 2378:20 Double Ambig)
&rst
ixpk= 2378, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2025, 153,
igr2=2030,2031, 158, 159,
&end
#
# 0 AMB 20-2:2379 0 AMB 20-1:2379 2.80 (# 2379:20 Double Ambig)
&rst
ixpk= 2379, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=2232,2233,2232,2233,
igr2=2235,2236,2235,2236,
&end
#
# 0 AMB 20-2:2380 163 GLU HG- 2.80 (# 2380:20 Single Ambig)
&rst
ixpk= 2380, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2232,2233,2232,2233,
igr2=2235,2236,
&end
#
# 0 AMB 20-2:2382 0 AMB 20-1:2382 2.80 (# 2382:20 Double Ambig)
&rst
ixpk= 2382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2025,1579,1580,
igr2=2030,2031,1569,1570,
&end
#
# 0 AMB 20-2:2383 0 AMB 20-1:2383 2.80 (# 2383:20 Double Ambig)
&rst
ixpk= 2383, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1925,1962,
igr2=1930,1931,2030,2031,
&end
#
# 158 GLU HN 158 GLU HG- 3.50 (# 2384:20 Unique 2.05, 3.08 A)
&rst
ixpk= 2384, nxpk= 20, iat=2151, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2158,2159,
&end
#
# 115 GLU HA 115 GLU HG+ 4.50 (# 2386:20 Unique 2.33, 3.15 A)
&rst
ixpk= 2386, nxpk= 20, iat=1479, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1484,1485,
&end
#
# 0 AMB 20-2:2387 0 AMB 20-1:2387 4.50 (# 2387:20 Double Ambig)
&rst
ixpk= 2387, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 978, 979, 978, 979,2167,2168,
igr2=1569,1570,1569,1570,2158,2159,
&end
#
# 158 GLU HB- 158 GLU HG- 2.80 (# 2390:20 Unique 2.26, 2.71 A)
&rst
ixpk= 2390, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2155,2156,
igr2=2158,2159,
&end
#
# 158 GLU HB- 158 GLU HG+ 2.80 (# 2391:20 Unique 2.26, 2.71 A)
&rst
ixpk= 2391, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2155,2156,
igr2=2158,2159,
&end
#
# 0 AMB 20-2:2392 0 AMB 20-1:2392 4.50 (# 2392:20 Double Ambig)
&rst
ixpk= 2392, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=2006,2007,2006,2007,2006,2007,
igr2=2080,2081,2080,2081,2080,2081,
&end
#
# 0 AMB 20-2:2393 0 AMB 20-1:2393 4.50 (# 2393:20 Double Ambig)
&rst
ixpk= 2393, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.30, r4=11.05,
igr1=2063,2064,2065,2067,2068,2069,2122,2123,2124,2126,
2127,2128,2141,2142,2143,2145,2146,2147,
igr2=2080,2081,2080,2081,2080,2081,2080,2081,
&end
#
# 62 VAL MGX 62 VAL HB 3.50 (# 2394:20 Unique 2.38, 2.66 A)
&rst
ixpk= 2394, nxpk= 20, iat= -1, 608, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 610, 611, 612, 614, 615, 616,
&end
#
# 62 VAL MGY 62 VAL HB 3.50 (# 2395:20 Unique 2.38, 2.66 A)
&rst
ixpk= 2395, nxpk= 20, iat= -1, 608, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 610, 611, 612, 614, 615, 616,
&end
#
# 153 GLU HB- 0 AMB 20-1:2397 2.80 (# 2397:20 Single Ambig)
&rst
ixpk= 2397, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2077,2078,
igr2=2080,2081,2080,2081,
&end
#
# 72 ILE QD1 113 LYS HB+ 6.00 (# 2398:20 Unique 2.31, 3.94 A)
&rst
ixpk= 2398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 760, 761, 762,
igr2=1440,1441,
&end
#
# 72 ILE QD1 113 LYS HB- 6.00 (# 2399:20 Unique 2.31, 3.94 A)
&rst
ixpk= 2399, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 760, 761, 762,
igr2=1440,1441,
&end
#
# 78 LEU MDY 113 LYS HB+ 4.50 (# 2400:20 Unique 2.26, 5.21 A)
&rst
ixpk= 2400, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 855, 856, 857, 859, 860, 861,
igr2=1440,1441,
&end
#
# 78 LEU MDY 113 LYS HB- 4.50 (# 2401:20 Unique 2.26, 5.21 A)
&rst
ixpk= 2401, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 855, 856, 857, 859, 860, 861,
igr2=1440,1441,
&end
#
# 0 AMB 20-2:2402 0 AMB 20-1:2402 4.50 (# 2402:20 Double Ambig)
&rst
ixpk= 2402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1443,1444, 850, 851,
igr2=1440,1441,1440,1441,
&end
#
# 0 AMB 20-2:2403 113 LYS HB- 4.50 (# 2403:20 Single Ambig)
&rst
ixpk= 2403, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1443,1444, 850, 851,
igr2=1440,1441,
&end
#
# 113 LYS HG+ 113 LYS HB+ 4.50 (# 2404:20 Unique 2.37, 2.77 A)
&rst
ixpk= 2404, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1443,1444,
igr2=1440,1441,
&end
#
# 113 LYS HG+ 113 LYS HB- 4.50 (# 2405:20 Unique 2.37, 2.77 A)
&rst
ixpk= 2405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1443,1444,
igr2=1440,1441,
&end
#
# 0 AMB 20-2:2411 0 AMB 20-1:2411 3.50 (# 2411:20 Double Ambig)
&rst
ixpk= 2411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2025,2075,
igr2=2080,2081,2080,2081,2080,2081,
&end
#
# 87 VAL HA 87 VAL HB 3.50 (# 2412:20 Unique 2.26, 2.43 A)
&rst
ixpk= 2412, nxpk= 20, iat=1007,1009, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:2413 0 AMB 20-1:2413 4.50 (# 2413:20 Double Ambig)
&rst
ixpk= 2413, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1467,1468,1469,1471,1472,1473,2141,2142,2143,2145,
2146,2147,
igr2=1299,1300,2095,2096,
&end
#
# 133 ILE QG2 132 GLN HG+ 8.00 (# 2414:20 Unique 3.25, 6.54 A)
&rst
ixpk= 2414, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1=1760,1761,1762,
igr2=1744,1745,
&end
#
# 138 ARG HG- 132 GLN HG+ 6.00 (# 2415:20 Unique 2.35, 4.90 A)
&rst
ixpk= 2415, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1843,1844,
igr2=1744,1745,
&end
#
# 138 ARG HG+ 132 GLN HG+ 6.00 (# 2416:20 Unique 2.35, 4.90 A)
&rst
ixpk= 2416, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1843,1844,
igr2=1744,1745,
&end
#
# 0 AMB 20-2:2417 0 AMB 20-1:2417 4.50 (# 2417:20 Double Ambig)
&rst
ixpk= 2417, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1840,1841,1719,1720,2077,2078,
igr2=1744,1745,1744,1745,2095,2096,
&end
#
# 0 AMB 20-2:2418 0 AMB 20-1:2418 2.80 (# 2418:20 Double Ambig)
&rst
ixpk= 2418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.03, r4= 6.78,
igr1=1741,1742,1741,1742,2092,2093,1840,1841,1296,1297,
igr2=1744,1745,1744,1745,2095,2096,1744,1745,1299,1300,
&end
#
# 105 GLN HB+ 105 GLN HG+ 2.80 (# 2419:20 Unique 2.35, 2.75 A)
&rst
ixpk= 2419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1296,1297,
igr2=1299,1300,
&end
#
# 105 GLN HA 105 GLN HG+ 2.80 (# 2420:20 Unique 2.50, 2.90 A)
&rst
ixpk= 2420, nxpk= 20, iat=1294, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1299,1300,
&end
#
# 132 GLN HA 132 GLN HG+ 3.50 (# 2421:20 Unique 2.33, 2.98 A)
&rst
ixpk= 2421, nxpk= 20, iat=1739, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1744,1745,
&end
#
# 154 GLN HE2+ 154 GLN HG- 4.50 (# 2422:20 Unique 2.27, 3.37 A)
&rst
ixpk= 2422, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2100,2101,
igr2=2095,2096,
&end
#
# 105 GLN HE2- 105 GLN HG- 6.00 (# 2423:20 Unique 2.26, 3.34 A)
&rst
ixpk= 2423, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1304,1305,
igr2=1299,1300,
&end
#
# 154 GLN HA 154 GLN HG- 2.80 (# 2424:20 Unique 2.44, 2.86 A)
&rst
ixpk= 2424, nxpk= 20, iat=2090, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2095,2096,
&end
#
# 0 AMB 20-2:2425 0 AMB 20-1:2425 2.80 (# 2425:20 Double Ambig)
&rst
ixpk= 2425, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=2092,2093,1296,1297,2030,2031,
igr2=2095,2096,1299,1300,
&end
#
# 0 AMB 20-2:2426 0 AMB 20-1:2426 2.80 (# 2426:20 Double Ambig)
&rst
ixpk= 2426, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=2092,2093,1296,1297,
igr2=2095,2096,1299,1300,
&end
#
# 0 AMB 20-2:2427 105 GLN HG- 4.50 (# 2427:20 Single Ambig)
&rst
ixpk= 2427, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1316,1317,1313,1314,1313,1314,
igr2=1299,1300,
&end
#
# 0 AMB 20-2:2428 0 AMB 20-1:2428 4.50 (# 2428:20 Double Ambig)
&rst
ixpk= 2428, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1467,1468,1469,1471,1472,1473,2141,2142,2143,2145,
2146,2147,
igr2=1299,1300,2095,2096,
&end
#
# 132 GLN HA 132 GLN HG- 4.50 (# 2430:20 Unique 2.33, 2.98 A)
&rst
ixpk= 2430, nxpk= 20, iat=1739, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1744,1745,
&end
#
# 132 GLN HN 132 GLN HG- 4.50 (# 2431:20 Unique 2.28, 3.20 A)
&rst
ixpk= 2431, nxpk= 20, iat=1737, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1744,1745,
&end
#
# 67 VAL MGY 67 VAL HB 3.50 (# 2433:20 Unique 2.34, 2.66 A)
&rst
ixpk= 2433, nxpk= 20, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 67 VAL MGX 67 VAL HB 2.80 (# 2434:20 Unique 2.34, 2.66 A)
&rst
ixpk= 2434, nxpk= 20, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 40 VAL MGX 67 VAL HB 4.50 (# 2435:20 Preassigned 3.64, 6.20 A)
&rst
ixpk= 2435, nxpk= 20, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 238, 239, 240, 242, 243, 244,
&end
#
# 0 AMB 20-2:2436 0 AMB 20-1:2436 2.80 (# 2436:20 Double Ambig)
&rst
ixpk= 2436, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 691, 692, 691, 692,
igr2= 688, 689, 688, 689,
&end
#
# 69 VAL HA 69 VAL HB 6.00 (# 2437:20 Unique 2.34, 2.84 A)
&rst
ixpk= 2437, nxpk= 20, iat= 701, 703, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 79 VAL MGX 79 VAL HB 3.50 (# 2438:20 Unique 2.41, 2.66 A)
&rst
ixpk= 2438, nxpk= 20, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 871, 872, 873, 875, 876, 877,
&end
#
# 0 AMB 20-2:2439 79 VAL HB 2.80 (# 2439:20 Single Ambig)
&rst
ixpk= 2439, nxpk= 20, iat= -1, 869, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1467,1468,1469,1471,1472,1473, 871, 872, 873, 875,
876, 877,
&end
#
# 87 VAL MGX 87 VAL HB 3.50 (# 2440:20 Unique 2.40, 2.65 A)
&rst
ixpk= 2440, nxpk= 20, iat= -1,1009, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1011,1012,1013,1015,1016,1017,
&end
#
# 69 VAL MGX 69 VAL HB 2.80 (# 2441:20 Preassigned 2.35, 2.66 A)
&rst
ixpk= 2441, nxpk= 20, iat= -1, 703, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 705, 706, 707, 709, 710, 711,
&end
#
# 87 VAL MGY 87 VAL HB 2.80 (# 2442:20 Unique 2.40, 2.65 A)
&rst
ixpk= 2442, nxpk= 20, iat= -1,1009, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1011,1012,1013,1015,1016,1017,
&end
#
# 80 ILE HG1- 68 GLU HB- 4.50 (# 2443:20 Preassigned 3.74, 5.42 A)
&rst
ixpk= 2443, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 891, 892,
igr2= 688, 689,
&end
#
# 51 GLU HN 51 GLU HB+ 4.50 (# 2445:20 Unique 2.43, 2.97 A)
&rst
ixpk= 2445, nxpk= 20, iat= 426, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 430, 431,
&end
#
# 52 LYS HN 51 GLU HB+ 6.00 (# 2446:20 Unique 2.40, 3.19 A)
&rst
ixpk= 2446, nxpk= 20, iat= 441, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 430, 431,
&end
#
# 68 GLU HA 0 AMB 20-1:2447 3.50 (# 2447:20 Single Ambig)
&rst
ixpk= 2447, nxpk= 20, iat= 686, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 688, 689, 688, 689,
&end
#
# 80 ILE HB 0 AMB 20-1:2448 2.80 (# 2448:20 Single Ambig)
&rst
ixpk= 2448, nxpk= 20, iat= 885, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 688, 689, 688, 689,
&end
#
# 51 GLU HG+ 51 GLU HB- 2.80 (# 2450:20 Unique 2.38, 2.72 A)
&rst
ixpk= 2450, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 433, 434,
igr2= 430, 431,
&end
#
# 52 LYS HG+ 52 LYS HB+ 3.50 (# 2452:20 Unique 2.32, 2.59 A)
&rst
ixpk= 2452, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 448, 449,
igr2= 445, 446,
&end
#
# 59 LEU HG 52 LYS HB+ 4.50 (# 2454:20 Unique 3.18, 4.29 A)
&rst
ixpk= 2454, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 445, 446,
&end
#
# 72 ILE QD1 76 GLU HB+ 4.50 (# 2455:20 Unique 2.19, 5.11 A)
&rst
ixpk= 2455, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 760, 761, 762,
igr2= 814, 815,
&end
#
# 72 ILE QD1 76 GLU HB- 6.00 (# 2456:20 Preassigned 2.19, 5.11 A)
&rst
ixpk= 2456, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 760, 761, 762,
igr2= 814, 815,
&end
#
# 59 LEU HG 52 LYS HB- 4.50 (# 2457:20 Unique 3.18, 4.29 A)
&rst
ixpk= 2457, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 445, 446,
&end
#
# 76 GLU HG- 76 GLU HB+ 2.80 (# 2460:20 Unique 2.30, 2.73 A)
&rst
ixpk= 2460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 817, 818,
igr2= 814, 815,
&end
#
# 0 AMB 20-2:2461 76 GLU HB- 2.80 (# 2461:20 Single Ambig)
&rst
ixpk= 2461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 817, 818, 799, 800,
igr2= 814, 815,
&end
#
# 0 AMB 20-2:2464 70 GLN HG- 2.80 (# 2464:20 Single Ambig)
&rst
ixpk= 2464, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 719, 720, 691, 692,
igr2= 722, 723,
&end
#
# 70 GLN HB- 70 GLN HG- 2.80 (# 2465:20 Unique 2.41, 2.76 A)
&rst
ixpk= 2465, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 719, 720,
igr2= 722, 723,
&end
#
# 0 AMB 20-2:2466 70 GLN HG- 3.50 (# 2466:20 Single Ambig)
&rst
ixpk= 2466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 113, 114, 115, 894, 895, 896, 855, 856, 857, 859,
860, 861, 855, 856, 857, 859, 860, 861,
igr2= 722, 723,
&end
#
# 70 GLN HB- 70 GLN HG+ 2.80 (# 2468:20 Unique 2.41, 2.76 A)
&rst
ixpk= 2468, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 719, 720,
igr2= 722, 723,
&end
#
# 0 AMB 20-2:2469 0 AMB 20-1:2469 2.80 (# 2469:20 Double Ambig)
&rst
ixpk= 2469, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 719, 720, 691, 692,
igr2= 722, 723, 722, 723,
&end
#
# 70 GLN HA 70 GLN HG+ 6.00 (# 2472:20 Unique 2.49, 2.96 A)
&rst
ixpk= 2472, nxpk= 20, iat= 717, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 722, 723,
&end
#
# 0 AMB 20-2:2473 50 PRO HB- 2.80 (# 2473:20 Single Ambig)
&rst
ixpk= 2473, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1083,1084,1085,1087,1088,1089,1083,1084,1085,1087,
1088,1089,2044,2045,2046,
igr2= 419, 420,
&end
#
# 143 MET ME 143 MET HG+ 4.50 (# 2475:20 Unique 2.47, 3.63 A)
&rst
ixpk= 2475, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1917,1918,1919,
igr2=1913,1914,
&end
#
# 143 MET ME 143 MET HG- 4.50 (# 2476:20 Unique 2.47, 3.63 A)
&rst
ixpk= 2476, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1917,1918,1919,
igr2=1913,1914,
&end
#
# 143 MET HB+ 143 MET HG+ 2.80 (# 2477:20 Unique 2.25, 2.61 A)
&rst
ixpk= 2477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1910,1911,
igr2=1913,1914,
&end
#
# 0 AMB 20-2:2478 143 MET HG- 3.50 (# 2478:20 Single Ambig)
&rst
ixpk= 2478, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1910,1911,1910,1911,
igr2=1913,1914,
&end
#
# 143 MET HA 143 MET HG+ 6.00 (# 2479:20 Unique 2.64, 3.36 A)
&rst
ixpk= 2479, nxpk= 20, iat=1908, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1913,1914,
&end
#
# 143 MET HN 143 MET HG+ 6.00 (# 2480:20 Unique 2.40, 3.18 A)
&rst
ixpk= 2480, nxpk= 20, iat=1906, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1913,1914,
&end
#
# 98 LEU MDY 143 MET HG+ 4.50 (# 2481:20 Unique 2.57, 6.02 A)
&rst
ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1171,1172,1173,1175,1176,1177,
igr2=1913,1914,
&end
#
# 98 LEU MDY 143 MET HG- 4.50 (# 2482:20 Unique 2.57, 6.02 A)
&rst
ixpk= 2482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1171,1172,1173,1175,1176,1177,
igr2=1913,1914,
&end
#
# 33 MET ME 33 MET HG- 2.80 (# 2485:20 Unique 2.35, 3.64 A)
&rst
ixpk= 2485, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 130, 131, 132,
igr2= 126, 127,
&end
#
# 33 MET ME 33 MET HG+ 2.80 (# 2486:20 Unique 2.35, 3.64 A)
&rst
ixpk= 2486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 130, 131, 132,
igr2= 126, 127,
&end
#
# 0 AMB 20-2:2487 33 MET HG- 4.50 (# 2487:20 Single Ambig)
&rst
ixpk= 2487, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 703, 736, 737,
igr2= 126, 127,
&end
#
# 0 AMB 20-2:2488 0 AMB 20-1:2488 4.50 (# 2488:20 Double Ambig)
&rst
ixpk= 2488, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 703, 736, 737,
igr2= 126, 127, 126, 127,
&end
#
# 69 VAL MGX 33 MET HG- 6.00 (# 2489:20 Unique 2.17, 5.36 A)
&rst
ixpk= 2489, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 705, 706, 707, 709, 710, 711,
igr2= 126, 127,
&end
#
# 33 MET HN 33 MET HG- 6.00 (# 2491:20 Unique 2.24, 3.31 A)
&rst
ixpk= 2491, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 126, 127,
&end
#
# 146 PRO HA 146 PRO HB+ 3.50 (# 2492:20 Unique 2.29, 2.57 A)
&rst
ixpk= 2492, nxpk= 20, iat=1962, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1959,1960,
&end
#
# 0 AMB 20-2:2493 0 AMB 20-1:2493 2.80 (# 2493:20 Double Ambig)
&rst
ixpk= 2493, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 416, 417, 416, 417,
igr2= 419, 420, 419, 420,
&end
#
# 0 AMB 20-2:2495 0 AMB 20-1:2495 2.80 (# 2495:20 Double Ambig)
&rst
ixpk= 2495, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=2044,2045,2046,1126,1127,1128,1130,1131,1132,
igr2= 419, 420, 419, 420,
&end
#
# 36 LYS HG- 36 LYS HB- 4.50 (# 2497:20 Unique 2.26, 2.62 A)
&rst
ixpk= 2497, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 173, 174,
igr2= 170, 171,
&end
#
# 69 VAL MGX 36 LYS HB- 4.50 (# 2498:20 Unique 2.27, 3.72 A)
&rst
ixpk= 2498, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 705, 706, 707, 709, 710, 711,
igr2= 170, 171,
&end
#
# 159 PRO HA 159 PRO HB+ 2.80 (# 2499:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2499, nxpk= 20, iat=2176, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2173,2174,
&end
#
# 106 ARG HA 106 ARG HB- 2.80 (# 2501:20 Preassigned 2.42, 2.78 A)
&rst
ixpk= 2501, nxpk= 20, iat=1311, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1313,1314,
&end
#
# 0 AMB 20-2:2502 0 AMB 20-1:2502 4.50 (# 2502:20 Double Ambig)
&rst
ixpk= 2502, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1404,1405,1121,1122,
igr2=1401,1402, 419, 420,
&end
#
# 0 AMB 20-2:2503 0 AMB 20-1:2503 2.80 (# 2503:20 Double Ambig)
&rst
ixpk= 2503, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1407,1408,1407,1408, 814, 815,
igr2=1401,1402,1401,1402,1401,1402,
&end
#
# 152 VAL MGY 152 VAL HB 2.80 (# 2504:20 Unique 2.39, 2.67 A)
&rst
ixpk= 2504, nxpk= 20, iat= -1,2061, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2063,2064,2065,2067,2068,2069,
&end
#
# 152 VAL MGX 152 VAL HB 2.80 (# 2505:20 Unique 2.39, 2.67 A)
&rst
ixpk= 2505, nxpk= 20, iat= -1,2061, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2063,2064,2065,2067,2068,2069,
&end
#
# 0 AMB 20-2:2506 0 AMB 20-1:2506 3.50 (# 2506:20 Double Ambig)
&rst
ixpk= 2506, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 113, 114, 115, 855, 856, 857, 859, 860, 861,
igr2= 719, 720, 719, 720,
&end
#
# 139 VAL MGX 139 VAL HB 2.80 (# 2508:20 Unique 2.39, 2.67 A)
&rst
ixpk= 2508, nxpk= 20, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1866,1867,1868,1870,1871,1872,
&end
#
# 0 AMB 20-2:2509 102 VAL HB 3.50 (# 2509:20 Single Ambig)
&rst
ixpk= 2509, nxpk= 20, iat= -1,1239, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1241,1242,1243,1245,1246,1247,2063,2064,2065,2067,
2068,2069,
&end
#
# 102 VAL MGX 102 VAL HB 3.50 (# 2510:20 Unique 2.42, 2.67 A)
&rst
ixpk= 2510, nxpk= 20, iat= -1,1239, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1241,1242,1243,1245,1246,1247,
&end
#
# 0 AMB 20-2:2515 0 AMB 20-1:2515 3.50 (# 2515:20 Double Ambig)
&rst
ixpk= 2515, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1806,1807,1722,1723,
igr2=1803,1804,1719,1720,
&end
#
# 0 AMB 20-2:2516 0 AMB 20-1:2516 2.80 (# 2516:20 Double Ambig)
&rst
ixpk= 2516, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1=1809,1810,1809,1810,1316,1317,1316,1317,
igr2=1803,1804,1803,1804,1313,1314,1313,1314,
&end
#
# 107 CYS HA 107 CYS HB+ 4.50 (# 2519:20 Unique 2.43, 2.75 A)
&rst
ixpk= 2519, nxpk= 20, iat=1335, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1337,1338,
&end
#
# 0 AMB 20-2:2521 107 CYS HB- 4.50 (# 2521:20 Single Ambig)
&rst
ixpk= 2521, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.75, r4= 8.50,
igr1= 288,1282,1283,1284,1286,1287,1288,1282,1283,1284,
1286,1287,1288,
igr2=1337,1338,
&end
#
# 43 LEU MDY 107 CYS HB- 4.50 (# 2522:20 Unique 2.09, 3.71 A)
&rst
ixpk= 2522, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 290, 291, 292, 294, 295, 296,
igr2=1337,1338,
&end
#
# 107 CYS HA 107 CYS HB- 6.00 (# 2523:20 Unique 2.43, 2.75 A)
&rst
ixpk= 2523, nxpk= 20, iat=1335, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1337,1338,
&end
#
# 107 CYS HN 107 CYS HB- 6.00 (# 2524:20 Unique 2.40, 3.02 A)
&rst
ixpk= 2524, nxpk= 20, iat=1333, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1337,1338,
&end
#
# 40 VAL MGX 40 VAL HB 3.50 (# 2525:20 Unique 2.40, 2.67 A)
&rst
ixpk= 2525, nxpk= 20, iat= -1, 236, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 238, 239, 240, 242, 243, 244,
&end
#
# 67 VAL MGX 40 VAL HB 3.50 (# 2526:20 Unique 2.22, 4.06 A)
&rst
ixpk= 2526, nxpk= 20, iat= -1, 236, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 0 AMB 20-2:2527 40 VAL HB 3.50 (# 2527:20 Single Ambig)
&rst
ixpk= 2527, nxpk= 20, iat= -1, 236, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 674, 675, 676, 678, 679, 680, 238, 239, 240, 242,
243, 244,
&end
#
# 69 VAL MGX 36 LYS HB+ 4.50 (# 2528:20 Unique 2.27, 3.72 A)
&rst
ixpk= 2528, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 705, 706, 707, 709, 710, 711,
igr2= 170, 171,
&end
#
# 136 LYS HG- 136 LYS HB- 3.50 (# 2531:20 Unique 2.25, 2.74 A)
&rst
ixpk= 2531, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1806,1807,
igr2=1803,1804,
&end
#
# 111 LYS HG- 111 LYS HB- 4.50 (# 2532:20 Unique 2.34, 2.76 A)
&rst
ixpk= 2532, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1404,1405,
igr2=1401,1402,
&end
#
# 70 GLN HG+ 70 GLN HB+ 2.80 (# 2533:20 Unique 2.41, 2.76 A)
&rst
ixpk= 2533, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 722, 723,
igr2= 719, 720,
&end
#
# 70 GLN HA 70 GLN HB+ 6.00 (# 2534:20 Unique 2.41, 2.75 A)
&rst
ixpk= 2534, nxpk= 20, iat= 717, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 719, 720,
&end
#
# 85 PRO HG- 85 PRO HB+ 2.80 (# 2536:20 Unique 2.37, 2.64 A)
&rst
ixpk= 2536, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 981, 982,
igr2= 984, 985,
&end
#
# 85 PRO HG- 0 AMB 20-1:2538 3.50 (# 2538:20 Single Ambig)
&rst
ixpk= 2538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 981, 982,
igr2=1028,1029,1028,1029,
&end
#
# 0 AMB 20-2:2539 0 AMB 20-1:2539 2.80 (# 2539:20 Double Ambig)
&rst
ixpk= 2539, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1=2170,2171,2170,2171, 66, 67,2196,2197,
igr2=2173,2174,2173,2174, 69, 70,2173,2174,
&end
#
# 146 PRO HD- 146 PRO HB+ 6.00 (# 2540:20 Unique 2.81, 3.68 A)
&rst
ixpk= 2540, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1953,1954,
igr2=1959,1960,
&end
#
# 0 AMB 20-2:2542 111 LYS HB- 2.80 (# 2542:20 Single Ambig)
&rst
ixpk= 2542, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1407,1408,1407,1408, 814, 815,
igr2=1401,1402,
&end
#
# 0 AMB 20-2:2543 0 AMB 20-1:2543 2.80 (# 2543:20 Double Ambig)
&rst
ixpk= 2543, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1309,1333,
igr2=1313,1314,1313,1314,1313,1314,
&end
#
# 0 AMB 20-2:2545 136 LYS HB- 2.80 (# 2545:20 Single Ambig)
&rst
ixpk= 2545, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1809,1810,1809,1810,
igr2=1803,1804,
&end
#
# 37 ALA HA 40 VAL HB 6.00 (# 2547:20 Unique 2.27, 2.48 A)
&rst
ixpk= 2547, nxpk= 20, iat= 190, 236, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:2548 156 VAL HB 4.50 (# 2548:20 Single Ambig)
&rst
ixpk= 2548, nxpk= 20, iat= -1,2120, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2122,2123,2124,2126,2127,2128,2063,2064,2065,2067,
2068,2069,
&end
#
# 0 AMB 20-2:2549 156 VAL HB 4.50 (# 2549:20 Single Ambig)
&rst
ixpk= 2549, nxpk= 20, iat= -1,2120, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2122,2123,2124,2126,2127,2128,2063,2064,2065,2067,
2068,2069,
&end
#
# 109 PRO HA 109 PRO HB+ 4.50 (# 2552:20 Unique 2.30, 2.54 A)
&rst
ixpk= 2552, nxpk= 20, iat=1373, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1370,1371,
&end
#
# 33 MET HG+ 33 MET HB+ 4.50 (# 2553:20 Unique 2.24, 2.62 A)
&rst
ixpk= 2553, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 126, 127,
igr2= 123, 124,
&end
#
# 33 MET HN 33 MET HB+ 6.00 (# 2555:20 Unique 2.23, 3.10 A)
&rst
ixpk= 2555, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 123, 124,
&end
#
# 48 ARG HD+ 48 ARG HB- 3.50 (# 2558:20 Unique 2.33, 3.20 A)
&rst
ixpk= 2558, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 386, 387,
igr2= 380, 381,
&end
#
# 0 AMB 20-2:2560 0 AMB 20-1:2560 4.50 (# 2560:20 Double Ambig)
&rst
ixpk= 2560, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1906, 524,
igr2=1910,1911, 528, 529,
&end
#
# 71 GLU HA 71 GLU HB- 3.50 (# 2562:20 Unique 2.32, 2.69 A)
&rst
ixpk= 2562, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 736, 737,
&end
#
# 143 MET HA 143 MET HB- 4.50 (# 2564:20 Unique 2.46, 2.78 A)
&rst
ixpk= 2564, nxpk= 20, iat=1908, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1910,1911,
&end
#
# 165 HIS HA 165 HIS HB+ 4.50 (# 2565:20 Unique 2.46, 2.77 A)
&rst
ixpk= 2565, nxpk= 20, iat=2262, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2264,2265,
&end
#
# 89 HIS HD2 89 HIS HB+ 6.00 (# 2566:20 Unique 2.55, 3.25 A)
&rst
ixpk= 2566, nxpk= 20, iat=1048, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1039,1040,
&end
#
# 89 HIS HA 89 HIS HB+ 3.50 (# 2570:20 Unique 2.40, 2.73 A)
&rst
ixpk= 2570, nxpk= 20, iat=1037, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1039,1040,
&end
#
# 165 HIS HB+ 164 HIS HB- 3.50 (# 2578:20 Unique 3.41, 4.93 A)
&rst
ixpk= 2578, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2264,2265,
igr2=2247,2248,
&end
#
# 164 HIS HA 164 HIS HB+ 2.80 (# 2583:20 Unique 2.31, 2.60 A)
&rst
ixpk= 2583, nxpk= 20, iat=2245, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2247,2248,
&end
#
# 89 HIS HA 89 HIS HB- 2.80 (# 2584:20 Unique 2.40, 2.73 A)
&rst
ixpk= 2584, nxpk= 20, iat=1037, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1039,1040,
&end
#
# 164 HIS HA 164 HIS HB- 2.80 (# 2585:20 Unique 2.31, 2.60 A)
&rst
ixpk= 2585, nxpk= 20, iat=2245, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2247,2248,
&end
#
# 75 GLU HA 75 GLU HB+ 2.80 (# 2588:20 Unique 2.40, 2.70 A)
&rst
ixpk= 2588, nxpk= 20, iat= 797, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 799, 800,
&end
#
# 144 GLU HG- 144 GLU HB+ 2.80 (# 2590:20 Unique 2.38, 2.72 A)
&rst
ixpk= 2590, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1930,1931,
igr2=1927,1928,
&end
#
# 143 MET HG- 143 MET HB- 4.50 (# 2591:20 Unique 2.25, 2.61 A)
&rst
ixpk= 2591, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1913,1914,
igr2=1910,1911,
&end
#
# 143 MET HN 143 MET HB- 4.50 (# 2593:20 Unique 2.36, 3.02 A)
&rst
ixpk= 2593, nxpk= 20, iat=1906, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1910,1911,
&end
#
# 31 ARG HG+ 31 ARG HB+ 2.80 (# 2595:20 Unique 2.33, 2.69 A)
&rst
ixpk= 2595, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 83, 84,
igr2= 80, 81,
&end
#
# 0 AMB 20-2:2597 103 LYS HD- 4.50 (# 2597:20 Single Ambig)
&rst
ixpk= 2597, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 370, 371, 372, 306, 307, 308,
igr2=1261,1262,
&end
#
# 103 LYS HG- 103 LYS HD- 4.50 (# 2598:20 Unique 2.39, 2.76 A)
&rst
ixpk= 2598, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1258,1259,
igr2=1261,1262,
&end
#
# 0 AMB 20-2:2599 103 LYS HD- 3.50 (# 2599:20 Single Ambig)
&rst
ixpk= 2599, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1255,1256,1255,1256,
igr2=1261,1262,
&end
#
# 0 AMB 20-2:2602 0 AMB 20-1:2602 3.50 (# 2602:20 Double Ambig)
&rst
ixpk= 2602, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 370, 371, 372, 306, 307, 308,
igr2=1261,1262,1261,1262,
&end
#
# 0 AMB 20-2:2603 0 AMB 20-1:2603 2.80 (# 2603:20 Double Ambig)
&rst
ixpk= 2603, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1505,1506,1507, 370, 371, 372, 363, 364, 365,
igr2=1215,1216,1215,1216, 367, 368, 367, 368, 367, 368,
&end
#
# 103 LYS HD- 0 AMB 20-1:2607 2.80 (# 2607:20 Single Ambig)
&rst
ixpk= 2607, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1261,1262,
igr2= 367, 368, 367, 368,
&end
#
# 0 AMB 20-2:2608 0 AMB 20-1:2608 2.80 (# 2608:20 Double Ambig)
&rst
ixpk= 2608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 302,1962,
igr2= 367, 368, 367, 368,2003,2004,
&end
#
# 0 AMB 20-2:2609 0 AMB 20-1:2609 2.80 (# 2609:20 Double Ambig)
&rst
ixpk= 2609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 168,1838,
igr2= 221, 222,1840,1841,
&end
#
# 58 GLU HG- 58 GLU HB- 3.50 (# 2610:20 Unique 2.37, 2.71 A)
&rst
ixpk= 2610, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 546, 547,
igr2= 543, 544,
&end
#
# 149 ARG HN 149 ARG HB- 3.50 (# 2611:20 Unique 2.27, 2.54 A)
&rst
ixpk= 2611, nxpk= 20, iat=1999, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2003,2004,
&end
#
# 0 AMB 20-2:2612 158 GLU HB- 2.80 (# 2612:20 Single Ambig)
&rst
ixpk= 2612, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2158,2159,2158,2159,
igr2=2155,2156,
&end
#
# 163 GLU HG- 0 AMB 20-1:2614 2.80 (# 2614:20 Single Ambig)
&rst
ixpk= 2614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2235,2236,
igr2=2232,2233,2232,2233,
&end
#
# 58 GLU HA 58 GLU HB+ 6.00 (# 2615:20 Unique 2.45, 2.78 A)
&rst
ixpk= 2615, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 543, 544,
&end
#
# 36 LYS HA 39 GLU HB+ 3.50 (# 2616:20 Unique 2.33, 3.36 A)
&rst
ixpk= 2616, nxpk= 20, iat= 168, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 221, 222,
&end
#
# 0 AMB 20-2:2617 0 AMB 20-1:2617 2.80 (# 2617:20 Double Ambig)
&rst
ixpk= 2617, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1564,1657,1962,
igr2=1566,1567,1659,1660,1659,1660,2003,2004,
&end
#
# 0 AMB 20-2:2618 0 AMB 20-1:2618 2.80 (# 2618:20 Double Ambig)
&rst
ixpk= 2618, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1739,1642,
igr2=1840,1841,1644,1645,
&end
#
# 0 AMB 20-2:2619 0 AMB 20-1:2619 2.80 (# 2619:20 Double Ambig)
&rst
ixpk= 2619, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1806,1807,1404,1405, 448, 449,
igr2=1809,1810,1809,1810,1407,1408,1407,1408, 451, 452,
&end
#
# 0 AMB 20-2:2620 0 AMB 20-1:2620 2.80 (# 2620:20 Double Ambig)
&rst
ixpk= 2620, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1=1401,1402, 445, 446, 433, 434,1825,1826,
igr2=1407,1408,1407,1408, 451, 452, 451, 452,1809,1810,
&end
#
# 39 GLU HG+ 39 GLU HB+ 2.80 (# 2621:20 Unique 2.39, 2.75 A)
&rst
ixpk= 2621, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 224, 225,
igr2= 221, 222,
&end
#
# 138 ARG HG+ 138 ARG HB+ 2.80 (# 2623:20 Unique 2.23, 2.62 A)
&rst
ixpk= 2623, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1843,1844,
igr2=1840,1841,
&end
#
# 0 AMB 20-2:2624 0 AMB 20-1:2624 2.80 (# 2624:20 Double Ambig)
&rst
ixpk= 2624, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=2030,2031,1662,1663,
igr2=2027,2028,1659,1660,1659,1660,
&end
#
# 0 AMB 20-2:2626 0 AMB 20-1:2626 2.80 (# 2626:20 Double Ambig)
&rst
ixpk= 2626, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=2030,2031,2173,2174,
igr2=2027,2028,2196,2197,
&end
#
# 162 LEU HB- 161 GLN HB- 4.50 (# 2628:20 Preassigned 4.39, 5.84 A)
&rst
ixpk= 2628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2213,2214,
igr2=2196,2197,
&end
#
# 0 AMB 20-2:2631 0 AMB 20-1:2631 3.50 (# 2631:20 Double Ambig)
&rst
ixpk= 2631, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1443,1444, 850, 851, 850, 851,
igr2=1446,1447,1446,1447,1446,1447,
&end
#
# 64 GLU HG+ 64 GLU HB- 3.50 (# 2633:20 Unique 2.26, 2.73 A)
&rst
ixpk= 2633, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 638, 639,
igr2= 635, 636,
&end
#
# 0 AMB 20-2:2634 52 LYS HD- 2.80 (# 2634:20 Single Ambig)
&rst
ixpk= 2634, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 445, 446, 433, 434,
igr2= 451, 452,
&end
#
# 75 GLU HN 0 AMB 20-1:2635 6.00 (# 2635:20 Single Ambig)
&rst
ixpk= 2635, nxpk= 20, iat= 795, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2= 784, 785, 784, 785,
&end
#
# 35 GLU HN 35 GLU HB+ 3.50 (# 2636:20 Unique 2.45, 2.70 A)
&rst
ixpk= 2636, nxpk= 20, iat= 151, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 155, 156,
&end
#
# 158 GLU HA 158 GLU HB+ 3.50 (# 2637:20 Unique 2.33, 2.54 A)
&rst
ixpk= 2637, nxpk= 20, iat=2153, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2155,2156,
&end
#
# 126 GLU HA 126 GLU HB- 2.80 (# 2638:20 Preassigned 2.30, 2.45 A)
&rst
ixpk= 2638, nxpk= 20, iat=1642, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1644,1645,
&end
#
# 39 GLU HG+ 39 GLU HB- 2.80 (# 2639:20 Unique 2.39, 2.75 A)
&rst
ixpk= 2639, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 224, 225,
igr2= 221, 222,
&end
#
# 0 AMB 20-2:2641 0 AMB 20-1:2641 3.50 (# 2641:20 Double Ambig)
&rst
ixpk= 2641, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2006,2007,2006,2007,
igr2=2003,2004,2003,2004,
&end
#
# 32 ILE HB 32 ILE QD1 3.50 (# 2642:20 Unique 2.44, 3.54 A)
&rst
ixpk= 2642, nxpk= 20, iat= 104, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 113, 114, 115,
&end
#
# 72 ILE HG1+ 72 ILE QD1 2.80 (# 2646:20 Unique 2.35, 2.66 A)
&rst
ixpk= 2646, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 757, 758,
igr2= 760, 761, 762,
&end
#
# 0 AMB 20-2:2648 72 ILE QD1 2.80 (# 2648:20 Single Ambig)
&rst
ixpk= 2648, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 850, 851, 757, 758,
igr2= 760, 761, 762,
&end
#
# 0 AMB 20-2:2649 72 ILE QD1 2.80 (# 2649:20 Single Ambig)
&rst
ixpk= 2649, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 814, 815, 751,
igr2= 760, 761, 762,
&end
#
# 113 LYS HB+ 72 ILE QD1 3.50 (# 2650:20 Unique 2.31, 3.94 A)
&rst
ixpk= 2650, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1440,1441,
igr2= 760, 761, 762,
&end
#
# 76 GLU HG- 72 ILE QD1 3.50 (# 2651:20 Unique 2.22, 4.38 A)
&rst
ixpk= 2651, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 817, 818,
igr2= 760, 761, 762,
&end
#
# 118 ILE QG2 118 ILE QD1 3.50 (# 2654:20 Unique 2.22, 3.75 A)
&rst
ixpk= 2654, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1538,1539,1540,
igr2=1545,1546,1547,
&end
#
# 0 AMB 20-2:2656 151 ILE QD1 4.50 (# 2656:20 Single Ambig)
&rst
ixpk= 2656, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 419, 420,2027,2028,
igr2=2051,2052,2053,
&end
#
# 151 ILE HB 151 ILE QD1 2.80 (# 2657:20 Unique 2.42, 3.05 A)
&rst
ixpk= 2657, nxpk= 20, iat=2042, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=2051,2052,2053,
&end
#
# 148 LEU HG 151 ILE QD1 4.50 (# 2658:20 Unique 3.99, 5.57 A)
&rst
ixpk= 2658, nxpk= 20, iat=1987, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=2051,2052,2053,
&end
#
# 151 ILE HG1- 151 ILE QD1 2.80 (# 2659:20 Unique 2.40, 2.66 A)
&rst
ixpk= 2659, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2048,2049,
igr2=2051,2052,2053,
&end
#
# 148 LEU HB+ 151 ILE QD1 4.50 (# 2660:20 Unique 4.69, 6.40 A)
&rst
ixpk= 2660, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1984,1985,
igr2=2051,2052,2053,
&end
#
# 151 ILE HG1+ 151 ILE QD1 2.80 (# 2662:20 Unique 2.40, 2.66 A)
&rst
ixpk= 2662, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2048,2049,
igr2=2051,2052,2053,
&end
#
# 0 AMB 20-2:2665 96 ILE QD1 6.00 (# 2665:20 Single Ambig)
&rst
ixpk= 2665, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1=1121,1122,1009,
igr2=1149,1150,1151,
&end
#
# 93 ALA MB 96 ILE QD1 4.50 (# 2666:20 Unique 3.99, 5.94 A)
&rst
ixpk= 2666, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1097,1098,1099,
igr2=1149,1150,1151,
&end
#
# 0 AMB 20-2:2667 96 ILE QD1 2.80 (# 2667:20 Single Ambig)
&rst
ixpk= 2667, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1140,1078,1079,
igr2=1149,1150,1151,
&end
#
# 92 LEU HB+ 96 ILE QD1 2.80 (# 2668:20 Unique 2.77, 4.19 A)
&rst
ixpk= 2668, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1078,1079,
igr2=1149,1150,1151,
&end
#
# 96 ILE QG2 96 ILE QD1 2.80 (# 2671:20 Unique 2.23, 3.83 A)
&rst
ixpk= 2671, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1142,1143,1144,
igr2=1149,1150,1151,
&end
#
# 62 VAL HB 44 ILE QD1 4.50 (# 2672:20 Unique 2.41, 4.31 A)
&rst
ixpk= 2672, nxpk= 20, iat= 608, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 313, 314, 315,
&end
#
# 0 AMB 20-2:2673 80 ILE QD1 4.50 (# 2673:20 Single Ambig)
&rst
ixpk= 2673, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 722, 723, 691, 692,
igr2= 894, 895, 896,
&end
#
# 0 AMB 20-2:2674 80 ILE QD1 2.80 (# 2674:20 Single Ambig)
&rst
ixpk= 2674, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 688, 689, 688, 689,
igr2= 894, 895, 896,
&end
#
# 44 ILE HB 44 ILE QD1 2.80 (# 2675:20 Unique 2.36, 3.13 A)
&rst
ixpk= 2675, nxpk= 20, iat= 304, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 313, 314, 315,
&end
#
# 44 ILE HG1+ 44 ILE QD1 2.80 (# 2676:20 Unique 2.33, 2.65 A)
&rst
ixpk= 2676, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 310, 311,
igr2= 313, 314, 315,
&end
#
# 0 AMB 20-2:2677 80 ILE QD1 2.80 (# 2677:20 Single Ambig)
&rst
ixpk= 2677, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 885, 850, 851,
igr2= 894, 895, 896,
&end
#
# 80 ILE HG1- 80 ILE QD1 2.80 (# 2678:20 Unique 2.35, 2.65 A)
&rst
ixpk= 2678, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 891, 892,
igr2= 894, 895, 896,
&end
#
# 100 LEU MDY 44 ILE QD1 6.00 (# 2679:20 Unique 2.28, 4.76 A)
&rst
ixpk= 2679, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1=1201,1202,1203,1205,1206,1207,
igr2= 313, 314, 315,
&end
#
# 0 AMB 20-2:2680 44 ILE QD1 2.80 (# 2680:20 Single Ambig)
&rst
ixpk= 2680, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 610, 611, 612, 614, 615, 616,1201,1202,1203,1205,
1206,1207,
igr2= 313, 314, 315,
&end
#
# 44 ILE HG1- 44 ILE QD1 2.80 (# 2681:20 Preassigned 2.33, 2.65 A)
&rst
ixpk= 2681, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 310, 311,
igr2= 313, 314, 315,
&end
#
# 80 ILE QG2 80 ILE QD1 2.80 (# 2682:20 Unique 2.23, 3.72 A)
&rst
ixpk= 2682, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 887, 888, 889,
igr2= 894, 895, 896,
&end
#
# 133 ILE HB 133 ILE QD1 2.80 (# 2683:20 Unique 2.58, 3.29 A)
&rst
ixpk= 2683, nxpk= 20, iat=1758, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1767,1768,1769,
&end
#
# 133 ILE HG1- 133 ILE QD1 2.80 (# 2684:20 Unique 2.39, 2.65 A)
&rst
ixpk= 2684, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1764,1765,
igr2=1767,1768,1769,
&end
#
# 0 AMB 20-2:2685 133 ILE QD1 2.80 (# 2685:20 Single Ambig)
&rst
ixpk= 2685, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1764,1765,1496,
igr2=1767,1768,1769,
&end
#
# 44 ILE HA 47 ILE QD1 3.50 (# 2686:20 Unique 2.36, 3.27 A)
&rst
ixpk= 2686, nxpk= 20, iat= 302, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 370, 371, 372,
&end
#
# 156 VAL HB 47 ILE QD1 6.00 (# 2687:20 Unique 4.35, 5.88 A)
&rst
ixpk= 2687, nxpk= 20, iat=2120, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 370, 371, 372,
&end
#
# 81 ILE HG1+ 81 ILE QD1 2.80 (# 2690:20 Unique 2.31, 2.65 A)
&rst
ixpk= 2690, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 910, 911,
igr2= 913, 914, 915,
&end
#
# 81 ILE HG1- 81 ILE QD1 2.80 (# 2691:20 Unique 2.31, 2.65 A)
&rst
ixpk= 2691, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 910, 911,
igr2= 913, 914, 915,
&end
#
# 0 AMB 20-2:2692 0 AMB 20-1:2692 2.80 (# 2692:20 Double Ambig)
&rst
ixpk= 2692, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1218,1219, 904,
igr2=1505,1506,1507, 913, 914, 915,
&end
#
# 0 AMB 20-2:2693 116 ILE QD1 8.00 (# 2693:20 Single Ambig)
&rst
ixpk= 2693, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1=1155,1181,
igr2=1505,1506,1507,
&end
#
# 116 ILE HA 116 ILE QD1 4.50 (# 2694:20 Unique 2.41, 4.66 A)
&rst
ixpk= 2694, nxpk= 20, iat=1494, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1505,1506,1507,
&end
#
# 0 AMB 20-2:2695 116 ILE QD1 4.50 (# 2695:20 Single Ambig)
&rst
ixpk= 2695, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1196,1197,1758,
igr2=1505,1506,1507,
&end
#
# 133 ILE HG1+ 116 ILE QD1 4.50 (# 2696:20 Unique 2.56, 5.81 A)
&rst
ixpk= 2696, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1764,1765,
igr2=1505,1506,1507,
&end
#
# 0 AMB 20-2:2697 116 ILE QD1 3.50 (# 2697:20 Single Ambig)
&rst
ixpk= 2697, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1215,1216,1215,1216,1462,1463,
igr2=1505,1506,1507,
&end
#
# 0 AMB 20-2:2698 116 ILE QD1 3.50 (# 2698:20 Single Ambig)
&rst
ixpk= 2698, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1218,1219, 904,
igr2=1505,1506,1507,
&end
#
# 0 AMB 20-2:2699 143 MET ME 2.80 (# 2699:20 Single Ambig)
&rst
ixpk= 2699, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1241,1242,1243,1245,1246,1247,2063,2064,2065,2067,
2068,2069,
igr2=1917,1918,1919,
&end
#
# 102 VAL MGX 143 MET ME 2.80 (# 2700:20 Unique 2.25, 4.80 A)
&rst
ixpk= 2700, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1241,1242,1243,1245,1246,1247,
igr2=1917,1918,1919,
&end
#
# 0 AMB 20-2:2701 143 MET ME 2.80 (# 2701:20 Single Ambig)
&rst
ixpk= 2701, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1171,1172,1173,1175,1176,1177,2063,2064,2065,2067,
2068,2069,
igr2=1917,1918,1919,
&end
#
# 142 ALA MB 143 MET ME 8.00 (# 2702:20 Unique 3.48, 5.65 A)
&rst
ixpk= 2702, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.54, r4=12.29,
igr1=1900,1901,1902,
igr2=1917,1918,1919,
&end
#
# 0 AMB 20-2:2703 143 MET ME 3.50 (# 2703:20 Single Ambig)
&rst
ixpk= 2703, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2006,2007,2006,2007,
igr2=1917,1918,1919,
&end
#
# 152 VAL HB 143 MET ME 2.80 (# 2706:20 Unique 2.26, 3.36 A)
&rst
ixpk= 2706, nxpk= 20, iat=2061, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1917,1918,1919,
&end
#
# 0 AMB 20-2:2708 143 MET ME 4.50 (# 2708:20 Single Ambig)
&rst
ixpk= 2708, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2080,2081,2080,2081,
igr2=1917,1918,1919,
&end
#
# 96 ILE HB 96 ILE QG2 3.50 (# 2711:20 Unique 2.42, 2.67 A)
&rst
ixpk= 2711, nxpk= 20, iat=1140, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1142,1143,1144,
&end
#
# 100 LEU MDX 96 ILE QG2 4.50 (# 2712:20 Unique 2.31, 5.60 A)
&rst
ixpk= 2712, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1201,1202,1203,1205,1206,1207,
igr2=1142,1143,1144,
&end
#
# 56 LEU HG 96 ILE QG2 4.50 (# 2713:20 Unique 2.85, 4.62 A)
&rst
ixpk= 2713, nxpk= 20, iat= 512, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1142,1143,1144,
&end
#
# 99 CYS HB- 47 ILE QG2 4.50 (# 2714:20 Unique 2.24, 3.48 A)
&rst
ixpk= 2714, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1185,1186,
igr2= 363, 364, 365,
&end
#
# 47 ILE HB 47 ILE QG2 3.50 (# 2715:20 Unique 2.38, 2.67 A)
&rst
ixpk= 2715, nxpk= 20, iat= 361, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 363, 364, 365,
&end
#
# 0 AMB 20-2:2716 47 ILE QG2 3.50 (# 2716:20 Single Ambig)
&rst
ixpk= 2716, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 367, 368, 367, 368,
igr2= 363, 364, 365,
&end
#
# 118 ILE QD1 118 ILE QG2 3.50 (# 2718:20 Unique 2.22, 3.75 A)
&rst
ixpk= 2718, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1545,1546,1547,
igr2=1538,1539,1540,
&end
#
# 126 GLU HB+ 118 ILE QG2 6.00 (# 2719:20 Unique 2.40, 4.64 A)
&rst
ixpk= 2719, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1644,1645,
igr2=1538,1539,1540,
&end
#
# 69 VAL MGX 33 MET ME 4.50 (# 2720:20 Unique 2.18, 7.07 A)
&rst
ixpk= 2720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 705, 706, 707, 709, 710, 711,
igr2= 130, 131, 132,
&end
#
# 0 AMB 20-2:2721 33 MET ME 3.50 (# 2721:20 Single Ambig)
&rst
ixpk= 2721, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 173, 174, 106, 107, 108,
igr2= 130, 131, 132,
&end
#
# 32 ILE HG1- 33 MET ME 6.00 (# 2722:20 Unique 5.70, 7.97 A)
&rst
ixpk= 2722, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 110, 111,
igr2= 130, 131, 132,
&end
#
# 31 ARG HG- 33 MET ME 6.00 (# 2723:20 Unique 2.34, 6.65 A)
&rst
ixpk= 2723, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 83, 84,
igr2= 130, 131, 132,
&end
#
# 33 MET HG+ 33 MET ME 4.50 (# 2729:20 Unique 2.35, 3.64 A)
&rst
ixpk= 2729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 126, 127,
igr2= 130, 131, 132,
&end
#
# 69 VAL MGX 37 ALA MB 2.80 (# 2730:20 Unique 2.15, 5.43 A)
&rst
ixpk= 2730, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 705, 706, 707, 709, 710, 711,
igr2= 192, 193, 194,
&end
#
# 67 VAL MGX 37 ALA MB 2.80 (# 2731:20 Unique 2.32, 5.25 A)
&rst
ixpk= 2731, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 674, 675, 676, 678, 679, 680,
igr2= 192, 193, 194,
&end
#
# 38 LEU HG 37 ALA MB 4.50 (# 2733:20 Unique 3.43, 4.76 A)
&rst
ixpk= 2733, nxpk= 20, iat= 205, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 192, 193, 194,
&end
#
# 69 VAL HB 37 ALA MB 4.50 (# 2734:20 Preassigned 2.77, 4.55 A)
&rst
ixpk= 2734, nxpk= 20, iat= 703, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 192, 193, 194,
&end
#
# 67 VAL HB 37 ALA MB 4.50 (# 2735:20 Unique 2.62, 4.56 A)
&rst
ixpk= 2735, nxpk= 20, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 192, 193, 194,
&end
#
# 39 GLU HB+ 37 ALA MB 6.00 (# 2736:20 Unique 6.91, 7.96 A)
&rst
ixpk= 2736, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 221, 222,
igr2= 192, 193, 194,
&end
#
# 34 GLU HA 37 ALA MB 2.80 (# 2737:20 Unique 2.36, 3.34 A)
&rst
ixpk= 2737, nxpk= 20, iat= 138, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 192, 193, 194,
&end
#
# 38 LEU HN 37 ALA MB 2.80 (# 2738:20 Unique 2.51, 3.52 A)
&rst
ixpk= 2738, nxpk= 20, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 192, 193, 194,
&end
#
# 0 AMB 20-2:2740 0 AMB 20-1:2740 4.50 (# 2740:20 Double Ambig)
&rst
ixpk= 2740, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1828,1829,1930,1931,
igr2=1890,1891,1892,1880,1881,1882,
&end
#
# 143 MET HB+ 140 ALA MB 4.50 (# 2741:20 Unique 4.49, 5.98 A)
&rst
ixpk= 2741, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1910,1911,
igr2=1880,1881,1882,
&end
#
# 139 VAL HB 140 ALA MB 4.50 (# 2742:20 Preassigned 4.30, 5.20 A)
&rst
ixpk= 2742, nxpk= 20, iat=1864, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1880,1881,1882,
&end
#
# 148 LEU MDX 142 ALA MB 2.80 (# 2745:20 Unique 2.62, 5.36 A)
&rst
ixpk= 2745, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1989,1990,1991,1993,1994,1995,
igr2=1900,1901,1902,
&end
#
# 98 LEU MDY 142 ALA MB 2.80 (# 2746:20 Unique 2.25, 3.92 A)
&rst
ixpk= 2746, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1171,1172,1173,1175,1176,1177,
igr2=1900,1901,1902,
&end
#
# 118 ILE QD1 129 ILE QG2 4.50 (# 2748:20 Unique 2.26, 4.17 A)
&rst
ixpk= 2748, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1545,1546,1547,
igr2=1688,1689,1690,
&end
#
# 0 AMB 20-2:2749 0 AMB 20-1:2749 2.80 (# 2749:20 Double Ambig)
&rst
ixpk= 2749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1=1695,1696,1697,1201,1202,1203,1205,1206,1207,
igr2=1688,1689,1690, 306, 307, 308,
&end
#
# 44 ILE HA 44 ILE QG2 2.80 (# 2750:20 Unique 2.29, 3.03 A)
&rst
ixpk= 2750, nxpk= 20, iat= 302, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 306, 307, 308,
&end
#
# 156 VAL HB 156 VAL MGX 3.50 (# 2753:20 Unique 2.38, 2.64 A)
&rst
ixpk= 2753, nxpk= 20, iat=2120, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2122,2123,2124,2126,2127,2128,
&end
#
# 50 PRO HB+ 151 ILE QG2 3.50 (# 2754:20 Unique 2.27, 3.74 A)
&rst
ixpk= 2754, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 419, 420,
igr2=2044,2045,2046,
&end
#
# 32 ILE HB 32 ILE QG2 2.80 (# 2755:20 Unique 2.40, 2.67 A)
&rst
ixpk= 2755, nxpk= 20, iat= 104, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 106, 107, 108,
&end
#
# 133 ILE HG1- 133 ILE QG2 2.80 (# 2756:20 Unique 2.62, 3.66 A)
&rst
ixpk= 2756, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1764,1765,
igr2=1760,1761,1762,
&end
#
# 80 ILE HB 80 ILE QG2 2.80 (# 2757:20 Unique 2.46, 2.67 A)
&rst
ixpk= 2757, nxpk= 20, iat= 885, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 887, 888, 889,
&end
#
# 32 ILE HG1- 32 ILE QG2 2.80 (# 2758:20 Unique 2.23, 3.39 A)
&rst
ixpk= 2758, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 110, 111,
igr2= 106, 107, 108,
&end
#
# 32 ILE HG1+ 32 ILE QG2 2.80 (# 2759:20 Unique 2.23, 3.39 A)
&rst
ixpk= 2759, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 110, 111,
igr2= 106, 107, 108,
&end
#
# 81 ILE HB 81 ILE QG2 2.80 (# 2761:20 Preassigned 2.38, 2.66 A)
&rst
ixpk= 2761, nxpk= 20, iat= 904, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 906, 907, 908,
&end
#
# 81 ILE HG1- 81 ILE QG2 3.50 (# 2762:20 Unique 2.27, 3.47 A)
&rst
ixpk= 2762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 910, 911,
igr2= 906, 907, 908,
&end
#
# 72 ILE HG1- 72 ILE QG2 2.80 (# 2765:20 Preassigned 2.44, 3.53 A)
&rst
ixpk= 2765, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 757, 758,
igr2= 753, 754, 755,
&end
#
# 0 AMB 20-2:2766 129 ILE QG2 2.80 (# 2766:20 Single Ambig)
&rst
ixpk= 2766, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1=1097,1098,1099,1692,1693,
igr2=1688,1689,1690,
&end
#
# 72 ILE HB 72 ILE QG2 2.80 (# 2767:20 Preassigned 2.45, 2.67 A)
&rst
ixpk= 2767, nxpk= 20, iat= 751, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 753, 754, 755,
&end
#
# 0 AMB 20-2:2768 44 ILE QG2 2.80 (# 2768:20 Single Ambig)
&rst
ixpk= 2768, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1280, 304,
igr2= 306, 307, 308,
&end
#
# 76 GLU HG- 72 ILE QG2 4.50 (# 2769:20 Preassigned 2.98, 5.07 A)
&rst
ixpk= 2769, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 817, 818,
igr2= 753, 754, 755,
&end
#
# 94 THR HA 133 ILE QG2 3.50 (# 2770:20 Unique 2.20, 2.57 A)
&rst
ixpk= 2770, nxpk= 20, iat=1105, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1760,1761,1762,
&end
#
# 133 ILE HA 133 ILE QG2 2.80 (# 2771:20 Unique 2.35, 3.11 A)
&rst
ixpk= 2771, nxpk= 20, iat=1756, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1760,1761,1762,
&end
#
# 80 ILE HG1- 80 ILE QG2 2.80 (# 2772:20 Unique 2.56, 3.57 A)
&rst
ixpk= 2772, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 891, 892,
igr2= 887, 888, 889,
&end
#
# 0 AMB 20-2:2773 0 AMB 20-1:2773 2.80 (# 2773:20 Double Ambig)
&rst
ixpk= 2773, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
igr1=1758,1166,1167, 688, 689, 688, 689,
igr2=1760,1761,1762, 887, 888, 889,
&end
#
# 0 AMB 20-2:2775 0 AMB 20-1:2775 4.50 (# 2775:20 Double Ambig)
&rst
ixpk= 2775, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 919,1103,
igr2= 887, 888, 889,1760,1761,1762,
&end
#
# 97 GLY HN 133 ILE QG2 4.50 (# 2776:20 Unique 3.19, 4.23 A)
&rst
ixpk= 2776, nxpk= 20, iat=1155, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2=1760,1761,1762,
&end
#
# 151 ILE HG1- 151 ILE QG2 2.80 (# 2777:20 Unique 2.49, 3.47 A)
&rst
ixpk= 2777, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2048,2049,
igr2=2044,2045,2046,
&end
#
# 100 LEU MDX 44 ILE QG2 2.80 (# 2778:20 Unique 2.20, 5.10 A)
&rst
ixpk= 2778, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1201,1202,1203,1205,1206,1207,
igr2= 306, 307, 308,
&end
#
# 43 LEU HB+ 44 ILE QG2 4.50 (# 2779:20 Unique 2.56, 4.69 A)
&rst
ixpk= 2779, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 285, 286,
igr2= 306, 307, 308,
&end
#
# 93 ALA HN 93 ALA MB 2.80 (# 2780:20 Unique 2.33, 2.82 A)
&rst
ixpk= 2780, nxpk= 20, iat=1093, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1097,1098,1099,
&end
#
# 129 ILE QG2 93 ALA MB 2.80 (# 2781:20 Unique 2.27, 3.96 A)
&rst
ixpk= 2781, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1=1688,1689,1690,
igr2=1097,1098,1099,
&end
#
# 133 ILE QG2 93 ALA MB 4.50 (# 2782:20 Unique 5.28, 6.70 A)
&rst
ixpk= 2782, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1760,1761,1762,
igr2=1097,1098,1099,
&end
#
# 94 THR MG2 93 ALA MB 6.00 (# 2783:20 Unique 3.51, 6.34 A)
&rst
ixpk= 2783, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1=1109,1110,1111,
igr2=1097,1098,1099,
&end
#
# 143 MET HG- 142 ALA MB 4.50 (# 2784:20 Unique 3.37, 5.31 A)
&rst
ixpk= 2784, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1913,1914,
igr2=1900,1901,1902,
&end
#
# 87 VAL HB 87 VAL MGX 3.50 (# 2785:20 Unique 2.40, 2.65 A)
&rst
ixpk= 2785, nxpk= 20, iat=1009, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 85 PRO HG- 87 VAL MGX 4.50 (# 2786:20 Unique 5.20, 7.08 A)
&rst
ixpk= 2786, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 981, 982,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 86 THR MG2 87 VAL MGX 6.00 (# 2787:20 Unique 5.31, 7.33 A)
&rst
ixpk= 2787, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1= 997, 998, 999,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 100 LEU MDY 116 ILE QG2 4.50 (# 2789:20 Unique 2.33, 5.08 A)
&rst
ixpk= 2789, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1201,1202,1203,1205,1206,1207,
igr2=1498,1499,1500,
&end
#
# 0 AMB 20-2:2790 116 ILE QG2 3.50 (# 2790:20 Single Ambig)
&rst
ixpk= 2790, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1496,1764,1765,
igr2=1498,1499,1500,
&end
#
# 81 ILE HG1- 116 ILE QG2 4.50 (# 2791:20 Unique 2.43, 5.34 A)
&rst
ixpk= 2791, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 910, 911,
igr2=1498,1499,1500,
&end
#
# 0 AMB 20-2:2792 116 ILE QG2 4.50 (# 2792:20 Single Ambig)
&rst
ixpk= 2792, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 904,1218,1219,
igr2=1498,1499,1500,
&end
#
# 0 AMB 20-2:2793 116 ILE QG2 6.00 (# 2793:20 Single Ambig)
&rst
ixpk= 2793, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1=1215,1216,1215,1216,1462,1463,
igr2=1498,1499,1500,
&end
#
# 49 ASP HB+ 56 LEU MDX 6.00 (# 2794:20 Unique 2.40, 5.78 A)
&rst
ixpk= 2794, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 404, 405,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 61 VAL HB 56 LEU MDX 4.50 (# 2795:20 Unique 2.39, 4.58 A)
&rst
ixpk= 2795, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 0 AMB 20-2:2797 56 LEU MDX 4.50 (# 2797:20 Single Ambig)
&rst
ixpk= 2797, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 361, 558, 559,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 96 ILE QG2 56 LEU MDX 4.50 (# 2798:20 Unique 2.20, 4.44 A)
&rst
ixpk= 2798, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1142,1143,1144,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 56 LEU HB+ 56 LEU MDX 3.50 (# 2800:20 Unique 2.34, 3.35 A)
&rst
ixpk= 2800, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 509, 510,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 0 AMB 20-2:2801 102 VAL MGX 4.50 (# 2801:20 Single Ambig)
&rst
ixpk= 2801, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1253,1183,
igr2=1241,1242,1243,1245,1246,1247,
&end
#
# 104 LEU MDY 79 VAL MGX 4.50 (# 2803:20 Unique 2.62, 5.83 A)
&rst
ixpk= 2803, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1282,1283,1284,1286,1287,1288,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 36 LYS HB- 79 VAL MGX 4.50 (# 2805:20 Unique 4.00, 6.45 A)
&rst
ixpk= 2805, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 170, 171,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 114 LEU MDY 79 VAL MGX 6.00 (# 2806:20 Unique 2.54, 5.67 A)
&rst
ixpk= 2806, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1=1467,1468,1469,1471,1472,1473,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 114 LEU HB- 79 VAL MGX 6.00 (# 2807:20 Unique 3.01, 6.34 A)
&rst
ixpk= 2807, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1462,1463,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 79 VAL HB 79 VAL MGX 3.50 (# 2808:20 Unique 2.41, 2.66 A)
&rst
ixpk= 2808, nxpk= 20, iat= 869, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 0 AMB 20-2:2809 139 VAL MGX 4.50 (# 2809:20 Single Ambig)
&rst
ixpk= 2809, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1=1900,1901,1902,1880,1881,1882,1806,1807,
igr2=1866,1867,1868,1870,1871,1872,
&end
#
# 139 VAL HB 139 VAL MGX 2.80 (# 2813:20 Unique 2.39, 2.67 A)
&rst
ixpk= 2813, nxpk= 20, iat=1864, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1866,1867,1868,1870,1871,1872,
&end
#
# 152 VAL HB 152 VAL MGX 3.50 (# 2814:20 Unique 2.39, 2.67 A)
&rst
ixpk= 2814, nxpk= 20, iat=2061, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 143 MET ME 152 VAL MGX 2.80 (# 2815:20 Unique 2.38, 4.26 A)
&rst
ixpk= 2815, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1917,1918,1919,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 52 LYS HB+ 59 LEU MDY 6.00 (# 2817:20 Unique 2.24, 4.66 A)
&rst
ixpk= 2817, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 445, 446,
igr2= 563, 564, 565, 567, 568, 569,
&end
#
# 54 ASN HB- 59 LEU MDY 3.50 (# 2818:20 Unique 2.26, 4.25 A)
&rst
ixpk= 2818, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 481, 482,
igr2= 563, 564, 565, 567, 568, 569,
&end
#
# 0 AMB 20-2:2819 59 LEU MDY 2.80 (# 2819:20 Single Ambig)
&rst
ixpk= 2819, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 445, 446, 558, 559,
igr2= 563, 564, 565, 567, 568, 569,
&end
#
# 86 THR MG2 59 LEU MDY 4.50 (# 2820:20 Unique 2.26, 4.98 A)
&rst
ixpk= 2820, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 997, 998, 999,
igr2= 563, 564, 565, 567, 568, 569,
&end
#
# 61 VAL MGY 59 LEU MDY 6.00 (# 2821:20 Unique 4.17, 7.70 A)
&rst
ixpk= 2821, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1= 594, 595, 596, 598, 599, 600,
igr2= 563, 564, 565, 567, 568, 569,
&end
#
# 132 GLN HB+ 94 THR MG2 4.50 (# 2822:20 Unique 2.32, 3.61 A)
&rst
ixpk= 2822, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1741,1742,
igr2=1109,1110,1111,
&end
#
# 0 AMB 20-2:2823 94 THR MG2 4.50 (# 2823:20 Single Ambig)
&rst
ixpk= 2823, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1166,1167,1121,1122,
igr2=1109,1110,1111,
&end
#
# 0 AMB 20-2:2824 94 THR MG2 4.50 (# 2824:20 Single Ambig)
&rst
ixpk= 2824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=1692,1693,1097,1098,1099,
igr2=1109,1110,1111,
&end
#
# 48 ARG HA 55 THR MG2 3.50 (# 2826:20 Unique 2.52, 4.14 A)
&rst
ixpk= 2826, nxpk= 20, iat= 378, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 497, 498, 499,
&end
#
# 61 VAL HA 84 THR MG2 4.50 (# 2827:20 Unique 4.07, 5.51 A)
&rst
ixpk= 2827, nxpk= 20, iat= 590, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 969, 970, 971,
&end
#
# 129 ILE HG1- 125 THR MG2 4.50 (# 2828:20 Unique 2.32, 5.82 A)
&rst
ixpk= 2828, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1692,1693,
igr2=1632,1633,1634,
&end
#
# 46 THR HA 46 THR MG2 2.80 (# 2831:20 Unique 2.40, 3.12 A)
&rst
ixpk= 2831, nxpk= 20, iat= 345, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 349, 350, 351,
&end
#
# 159 PRO HG- 55 THR MG2 4.50 (# 2832:20 Unique 2.39, 3.68 A)
&rst
ixpk= 2832, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=2170,2171,
igr2= 497, 498, 499,
&end
#
# 0 AMB 20-2:2833 55 THR MG2 4.50 (# 2833:20 Single Ambig)
&rst
ixpk= 2833, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 380, 381,2155,2156,
igr2= 497, 498, 499,
&end
#
# 0 AMB 20-2:2834 156 VAL MGY 3.50 (# 2834:20 Single Ambig)
&rst
ixpk= 2834, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1183,1253,
igr2=2122,2123,2124,2126,2127,2128,
&end
#
# 40 VAL HB 67 VAL MGX 3.50 (# 2835:20 Unique 2.22, 4.06 A)
&rst
ixpk= 2835, nxpk= 20, iat= 236, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 67 VAL HB 67 VAL MGX 2.80 (# 2836:20 Unique 2.34, 2.66 A)
&rst
ixpk= 2836, nxpk= 20, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 0 AMB 20-2:2837 67 VAL MGX 2.80 (# 2837:20 Single Ambig)
&rst
ixpk= 2837, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 910, 911, 192, 193, 194,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 0 AMB 20-2:2839 122 THR MG2 6.00 (# 2839:20 Single Ambig)
&rst
ixpk= 2839, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
igr1=1566,1567, 981, 982,1025,1026,
igr2=1590,1591,1592,
&end
#
# 0 AMB 20-2:2840 122 THR MG2 6.00 (# 2840:20 Single Ambig)
&rst
ixpk= 2840, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
igr1=1097,1098,1099,1692,1693,
igr2=1590,1591,1592,
&end
#
# 156 VAL HB 156 VAL MGY 2.80 (# 2841:20 Unique 2.38, 2.64 A)
&rst
ixpk= 2841, nxpk= 20, iat=2120, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=2122,2123,2124,2126,2127,2128,
&end
#
# 0 AMB 20-2:2842 156 VAL MGY 3.50 (# 2842:20 Single Ambig)
&rst
ixpk= 2842, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 367, 368, 367, 368,
igr2=2122,2123,2124,2126,2127,2128,
&end
#
# 0 AMB 20-2:2843 156 VAL MGY 3.50 (# 2843:20 Single Ambig)
&rst
ixpk= 2843, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1261,1262,2136,2137,1316,1317,
igr2=2122,2123,2124,2126,2127,2128,
&end
#
# 103 LYS HD- 156 VAL MGY 4.50 (# 2844:20 Unique 2.29, 4.88 A)
&rst
ixpk= 2844, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1261,1262,
igr2=2122,2123,2124,2126,2127,2128,
&end
#
# 88 PRO HD- 87 VAL MGY 3.50 (# 2845:20 Unique 2.12, 4.82 A)
&rst
ixpk= 2845, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1022,1023,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 87 VAL HB 87 VAL MGY 2.80 (# 2846:20 Unique 2.40, 2.65 A)
&rst
ixpk= 2846, nxpk= 20, iat=1009, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:2849 62 VAL MGY 4.50 (# 2849:20 Single Ambig)
&rst
ixpk= 2849, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 604, 256, 265,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 62 VAL HB 62 VAL MGY 3.50 (# 2850:20 Unique 2.38, 2.66 A)
&rst
ixpk= 2850, nxpk= 20, iat= 608, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 33 MET HB+ 69 VAL MGX 2.80 (# 2851:20 Preassigned 2.26, 4.57 A)
&rst
ixpk= 2851, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 123, 124,
igr2= 705, 706, 707, 709, 710, 711,
&end
#
# 69 VAL HB 69 VAL MGX 2.80 (# 2852:20 Unique 2.35, 2.66 A)
&rst
ixpk= 2852, nxpk= 20, iat= 703, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 705, 706, 707, 709, 710, 711,
&end
#
# 0 AMB 20-2:2853 62 VAL MGY 4.50 (# 2853:20 Single Ambig)
&rst
ixpk= 2853, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 304, 367, 368,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 37 ALA MB 69 VAL MGX 2.80 (# 2854:20 Unique 2.15, 5.43 A)
&rst
ixpk= 2854, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 192, 193, 194,
igr2= 705, 706, 707, 709, 710, 711,
&end
#
# 0 AMB 20-2:2856 0 AMB 20-1:2856 2.80 (# 2856:20 Double Ambig)
&rst
ixpk= 2856, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 170, 171, 310, 311,
igr2= 705, 706, 707, 709, 710, 711, 610, 611, 612, 614,
615, 616,
&end
#
# 36 LYS HB- 69 VAL MGX 3.50 (# 2858:20 Unique 2.27, 3.72 A)
&rst
ixpk= 2858, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 170, 171,
igr2= 705, 706, 707, 709, 710, 711,
&end
#
# 40 VAL HB 40 VAL MGY 3.50 (# 2860:20 Unique 2.40, 2.67 A)
&rst
ixpk= 2860, nxpk= 20, iat= 236, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 238, 239, 240, 242, 243, 244,
&end
#
# 67 VAL HB 67 VAL MGY 2.80 (# 2861:20 Unique 2.34, 2.66 A)
&rst
ixpk= 2861, nxpk= 20, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 0 AMB 20-2:2862 67 VAL MGY 4.50 (# 2862:20 Single Ambig)
&rst
ixpk= 2862, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 910, 911, 192, 193, 194,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 85 PRO HA 61 VAL MGY 3.50 (# 2863:20 Unique 2.39, 3.91 A)
&rst
ixpk= 2863, nxpk= 20, iat= 987, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 46 THR HB 46 THR MG2 2.80 (# 2864:20 Unique 2.37, 2.66 A)
&rst
ixpk= 2864, nxpk= 20, iat= 347, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 349, 350, 351,
&end
#
# 59 LEU HA 61 VAL MGY 6.00 (# 2865:20 Unique 4.41, 6.88 A)
&rst
ixpk= 2865, nxpk= 20, iat= 556, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 61 VAL HB 61 VAL MGY 2.80 (# 2866:20 Unique 2.32, 2.64 A)
&rst
ixpk= 2866, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 0 AMB 20-2:2867 61 VAL MGY 2.80 (# 2867:20 Single Ambig)
&rst
ixpk= 2867, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 558, 559,1146,1147,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 59 LEU HB- 61 VAL MGY 2.80 (# 2868:20 Unique 2.28, 4.85 A)
&rst
ixpk= 2868, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 558, 559,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 86 THR MG2 61 VAL MGY 2.80 (# 2869:20 Unique 2.25, 4.65 A)
&rst
ixpk= 2869, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 997, 998, 999,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 56 LEU MDX 61 VAL MGY 2.80 (# 2870:20 Unique 2.25, 5.22 A)
&rst
ixpk= 2870, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 514, 515, 516, 518, 519, 520,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 0 AMB 20-2:2871 46 THR MG2 2.80 (# 2871:20 Single Ambig)
&rst
ixpk= 2871, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 326, 327, 323, 324,
igr2= 349, 350, 351,
&end
#
# 61 VAL HA 61 VAL MGX 3.50 (# 2872:20 Unique 2.35, 3.25 A)
&rst
ixpk= 2872, nxpk= 20, iat= 590, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 56 LEU HB- 61 VAL MGX 6.00 (# 2874:20 Unique 2.46, 5.01 A)
&rst
ixpk= 2874, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 509, 510,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 41 TYR HB+ 67 VAL MGY 4.50 (# 2875:20 Unique 2.15, 4.45 A)
&rst
ixpk= 2875, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 252, 253,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 61 VAL HB 61 VAL MGX 2.80 (# 2876:20 Unique 2.32, 2.64 A)
&rst
ixpk= 2876, nxpk= 20, iat= 592, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 40 VAL HB 40 VAL MGX 3.50 (# 2881:20 Unique 2.40, 2.67 A)
&rst
ixpk= 2881, nxpk= 20, iat= 236, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 238, 239, 240, 242, 243, 244,
&end
#
# 0 AMB 20-2:2883 0 AMB 20-1:2883 2.80 (# 2883:20 Double Ambig)
&rst
ixpk= 2883, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.54, r4= 7.29,
igr1=1440,1441,1481,1482,1280, 850, 851,1462,1463,
igr2= 855, 856, 857, 859, 860, 861, 238, 239, 240, 242,
243, 244, 871, 872, 873, 875, 876, 877,
&end
#
# 0 AMB 20-2:2884 78 LEU MDY 2.80 (# 2884:20 Single Ambig)
&rst
ixpk= 2884, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1440,1441,1446,1447,1446,1447,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 80 ILE HG1- 78 LEU MDY 2.80 (# 2885:20 Preassigned 2.90, 4.35 A)
&rst
ixpk= 2885, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 891, 892,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 20-2:2886 0 AMB 20-1:2886 2.80 (# 2886:20 Double Ambig)
&rst
ixpk= 2886, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
igr1= 853, 850, 851,1467,1468,1469,1471,1472,1473,
igr2= 855, 856, 857, 859, 860, 861, 871, 872, 873, 875,
876, 877,
&end
#
# 139 VAL HB 139 VAL MGY 2.80 (# 2889:20 Preassigned 2.39, 2.67 A)
&rst
ixpk= 2889, nxpk= 20, iat=1864, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1866,1867,1868,1870,1871,1872,
&end
#
# 0 AMB 20-2:2891 86 THR MG2 2.80 (# 2891:20 Single Ambig)
&rst
ixpk= 2891, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 563, 564, 565, 567, 568, 569, 514, 515, 516, 518,
519, 520,
igr2= 997, 998, 999,
&end
#
# 61 VAL MGY 86 THR MG2 2.80 (# 2892:20 Unique 2.25, 4.65 A)
&rst
ixpk= 2892, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 594, 595, 596, 598, 599, 600,
igr2= 997, 998, 999,
&end
#
# 0 AMB 20-2:2893 86 THR MG2 3.50 (# 2893:20 Single Ambig)
&rst
ixpk= 2893, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 558, 559, 451, 452,
igr2= 997, 998, 999,
&end
#
# 0 AMB 20-2:2894 86 THR MG2 3.50 (# 2894:20 Single Ambig)
&rst
ixpk= 2894, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 558, 559, 451, 452,
igr2= 997, 998, 999,
&end
#
# 102 VAL HB 102 VAL MGY 2.80 (# 2896:20 Unique 2.42, 2.67 A)
&rst
ixpk= 2896, nxpk= 20, iat=1239, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1241,1242,1243,1245,1246,1247,
&end
#
# 152 VAL HB 152 VAL MGY 2.80 (# 2897:20 Unique 2.39, 2.67 A)
&rst
ixpk= 2897, nxpk= 20, iat=2061, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 0 AMB 20-2:2898 152 VAL MGY 2.80 (# 2898:20 Single Ambig)
&rst
ixpk= 2898, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1166,1167,1121,1122,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 98 LEU HB- 152 VAL MGY 4.50 (# 2899:20 Unique 2.48, 4.31 A)
&rst
ixpk= 2899, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1166,1167,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 95 LEU HG 152 VAL MGY 4.50 (# 2900:20 Preassigned 2.69, 5.93 A)
&rst
ixpk= 2900, nxpk= 20, iat=1124, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 41 TYR HN 40 VAL MGX 4.50 (# 2903:20 Unique 3.29, 4.60 A)
&rst
ixpk= 2903, nxpk= 20, iat= 248, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 238, 239, 240, 242, 243, 244,
&end
#
# 112 HIS HD2 40 VAL MGY 4.50 (# 2904:20 Unique 3.16, 5.90 A)
&rst
ixpk= 2904, nxpk= 20, iat=1432, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 238, 239, 240, 242, 243, 244,
&end
#
# 39 GLU HB- 40 VAL MGY 4.50 (# 2905:20 Unique 3.44, 6.13 A)
&rst
ixpk= 2905, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 221, 222,
igr2= 238, 239, 240, 242, 243, 244,
&end
#
# 0 AMB 20-2:2908 40 VAL MGY 3.50 (# 2908:20 Single Ambig)
&rst
ixpk= 2908, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1282,1283,1284,1286,1287,1288,1282,1283,1284,1286,
1287,1288,
igr2= 238, 239, 240, 242, 243, 244,
&end
#
# 108 LEU MDX 40 VAL MGY 3.50 (# 2909:20 Unique 2.34, 5.60 A)
&rst
ixpk= 2909, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1353,1354,1355,1357,1358,1359,
igr2= 238, 239, 240, 242, 243, 244,
&end
#
# 0 AMB 20-2:2912 0 AMB 20-1:2912 4.50 (# 2912:20 Double Ambig)
&rst
ixpk= 2912, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
igr1=1337,1338,2184,2185,2184,2185,
igr2= 290, 291, 292, 294, 295, 296,2218,2219,2220,2222,
2223,2224,
&end
#
# 103 LYS HE- 43 LEU MDY 4.50 (# 2913:20 Unique 2.15, 4.78 A)
&rst
ixpk= 2913, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1264,1265,
igr2= 290, 291, 292, 294, 295, 296,
&end
#
# 0 AMB 20-2:2914 162 LEU MDY 4.50 (# 2914:20 Single Ambig)
&rst
ixpk= 2914, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=2173,2174,2199,2200,2199,2200,
igr2=2218,2219,2220,2222,2223,2224,
&end
#
# 148 LEU HB- 148 LEU MDY 3.50 (# 2916:20 Preassigned 2.35, 3.33 A)
&rst
ixpk= 2916, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1984,1985,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 0 AMB 20-2:2922 92 LEU MDY 4.50 (# 2922:20 Single Ambig)
&rst
ixpk= 2922, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 419, 420, 433, 434,
igr2=1083,1084,1085,1087,1088,1089,
&end
#
# 51 GLU HB+ 92 LEU MDY 4.50 (# 2923:20 Unique 2.40, 4.80 A)
&rst
ixpk= 2923, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 430, 431,
igr2=1083,1084,1085,1087,1088,1089,
&end
#
# 0 AMB 20-2:2924 92 LEU MDY 2.80 (# 2924:20 Single Ambig)
&rst
ixpk= 2924, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1078,1079, 416, 417, 416, 417,
igr2=1083,1084,1085,1087,1088,1089,
&end
#
# 0 AMB 20-2:2925 92 LEU MDY 2.80 (# 2925:20 Single Ambig)
&rst
ixpk= 2925, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1078,1079,1081,
igr2=1083,1084,1085,1087,1088,1089,
&end
#
# 0 AMB 20-2:2926 92 LEU MDY 4.50 (# 2926:20 Single Ambig)
&rst
ixpk= 2926, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1121,1122, 448, 449,
igr2=1083,1084,1085,1087,1088,1089,
&end
#
# 157 LEU HA 157 LEU MDY 2.80 (# 2929:20 Unique 2.11, 3.95 A)
&rst
ixpk= 2929, nxpk= 20, iat=2134, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=2141,2142,2143,2145,2146,2147,
&end
#
# 157 LEU HB+ 157 LEU MDY 2.80 (# 2931:20 Unique 2.36, 3.29 A)
&rst
ixpk= 2931, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2136,2137,
igr2=2141,2142,2143,2145,2146,2147,
&end
#
# 157 LEU HB- 157 LEU MDY 2.80 (# 2932:20 Unique 2.36, 3.29 A)
&rst
ixpk= 2932, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2136,2137,
igr2=2141,2142,2143,2145,2146,2147,
&end
#
# 108 LEU MDX 104 LEU MDY 3.50 (# 2934:20 Unique 2.27, 5.45 A)
&rst
ixpk= 2934, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1353,1354,1355,1357,1358,1359,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 108 LEU MDY 104 LEU MDY 3.50 (# 2935:20 Unique 2.27, 5.45 A)
&rst
ixpk= 2935, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1353,1354,1355,1357,1358,1359,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 108 LEU HB- 108 LEU MDY 3.50 (# 2936:20 Unique 2.32, 3.33 A)
&rst
ixpk= 2936, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1348,1349,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 108 LEU HB- 108 LEU MDX 3.50 (# 2938:20 Unique 2.32, 3.33 A)
&rst
ixpk= 2938, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1348,1349,
igr2=1353,1354,1355,1357,1358,1359,
&end
#
# 100 LEU HB+ 100 LEU MDX 3.50 (# 2939:20 Unique 2.37, 3.35 A)
&rst
ixpk= 2939, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1196,1197,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 0 AMB 20-2:2941 0 AMB 20-1:2941 2.80 (# 2941:20 Double Ambig)
&rst
ixpk= 2941, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1=2211,1756,1982,1107,
igr2=2218,2219,2220,2222,2223,2224,1171,1172,1173,1175,
1176,1177,1126,1127,1128,1130,1131,1132,
&end
#
# 154 GLN HG- 157 LEU MDX 4.50 (# 2942:20 Unique 3.21, 6.30 A)
&rst
ixpk= 2942, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2095,2096,
igr2=2141,2142,2143,2145,2146,2147,
&end
#
# 0 AMB 20-2:2943 0 AMB 20-1:2943 3.50 (# 2943:20 Double Ambig)
&rst
ixpk= 2943, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=2173,2174,2158,2159,
igr2=2218,2219,2220,2222,2223,2224,2141,2142,2143,2145,
2146,2147,
&end
#
# 0 AMB 20-2:2944 0 AMB 20-1:2944 2.80 (# 2944:20 Double Ambig)
&rst
ixpk= 2944, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 419, 420,2196,2197,
igr2=1126,1127,1128,1130,1131,1132,2218,2219,2220,2222,
2223,2224,
&end
#
# 0 AMB 20-2:2945 0 AMB 20-1:2945 2.80 (# 2945:20 Double Ambig)
&rst
ixpk= 2945, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.76, r4= 7.51,
igr1=1166,1167,1121,1122,2170,2171,1166,1167,2196,2197,
1758,
igr2=1171,1172,1173,1175,1176,1177,1126,1127,1128,1130,
1131,1132,2218,2219,2220,2222,2223,2224,
&end
#
# 0 AMB 20-2:2946 0 AMB 20-1:2946 2.80 (# 2946:20 Double Ambig)
&rst
ixpk= 2946, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2139,1215,1216,1215,1216,
igr2=2141,2142,2143,2145,2146,2147,1171,1172,1173,1175,
1176,1177,
&end
#
# 0 AMB 20-2:2947 0 AMB 20-1:2947 2.80 (# 2947:20 Double Ambig)
&rst
ixpk= 2947, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1=2136,2137,1124,
igr2=2141,2142,2143,2145,2146,2147,1126,1127,1128,1130,
1131,1132,1171,1172,1173,1175,1176,1177,
&end
#
# 0 AMB 20-2:2949 0 AMB 20-1:2949 2.80 (# 2949:20 Double Ambig)
&rst
ixpk= 2949, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.86, r4= 7.61,
igr1=1900,1901,1902,1121,1122,2213,2214,2136,2137,
igr2=1171,1172,1173,1175,1176,1177,1126,1127,1128,1130,
1131,1132,2218,2219,2220,2222,2223,2224,2141,2142,
2143,2145,2146,2147,
&end
#
# 0 AMB 20-2:2952 114 LEU MDX 2.80 (# 2952:20 Single Ambig)
&rst
ixpk= 2952, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 869,1296,1297,
igr2=1467,1468,1469,1471,1472,1473,
&end
#
# 38 LEU HA 38 LEU MDX 3.50 (# 2954:20 Unique 2.20, 3.89 A)
&rst
ixpk= 2954, nxpk= 20, iat= 200, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 35 GLU HA 38 LEU MDX 3.50 (# 2955:20 Unique 2.11, 4.22 A)
&rst
ixpk= 2955, nxpk= 20, iat= 153, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 35 GLU HG- 38 LEU MDX 4.50 (# 2956:20 Unique 2.52, 5.99 A)
&rst
ixpk= 2956, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 158, 159,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 38 LEU HG 38 LEU MDX 2.80 (# 2957:20 Unique 2.44, 2.66 A)
&rst
ixpk= 2957, nxpk= 20, iat= 205, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 38 LEU HB- 38 LEU MDX 2.80 (# 2958:20 Preassigned 2.38, 3.31 A)
&rst
ixpk= 2958, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 202, 203,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 50 PRO HB+ 92 LEU MDX 2.80 (# 2959:20 Unique 2.22, 4.59 A)
&rst
ixpk= 2959, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 419, 420,
igr2=1083,1084,1085,1087,1088,1089,
&end
#
# 0 AMB 20-2:2960 38 LEU MDX 2.80 (# 2960:20 Single Ambig)
&rst
ixpk= 2960, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 155, 156, 155, 156,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 0 AMB 20-2:2961 92 LEU MDX 2.80 (# 2961:20 Single Ambig)
&rst
ixpk= 2961, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1078,1079, 416, 417, 416, 417,
igr2=1083,1084,1085,1087,1088,1089,
&end
#
# 0 AMB 20-2:2962 92 LEU MDX 2.80 (# 2962:20 Single Ambig)
&rst
ixpk= 2962, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1078,1079,1081,
igr2=1083,1084,1085,1087,1088,1089,
&end
#
# 37 ALA MB 38 LEU MDX 4.50 (# 2963:20 Unique 4.26, 6.79 A)
&rst
ixpk= 2963, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 192, 193, 194,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 0 AMB 20-2:2964 136 LYS HG- 3.50 (# 2964:20 Single Ambig)
&rst
ixpk= 2964, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1812,1813,1812,1813,
igr2=1806,1807,
&end
#
# 136 LYS HB- 136 LYS HG+ 4.50 (# 2965:20 Unique 2.25, 2.74 A)
&rst
ixpk= 2965, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1803,1804,
igr2=1806,1807,
&end
#
# 136 LYS HB- 136 LYS HG- 3.50 (# 2966:20 Unique 2.25, 2.74 A)
&rst
ixpk= 2966, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1803,1804,
igr2=1806,1807,
&end
#
# 0 AMB 20-2:2967 0 AMB 20-1:2967 2.80 (# 2967:20 Double Ambig)
&rst
ixpk= 2967, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1809,1810,1809,1810,
igr2=1806,1807,1806,1807,
&end
#
# 0 AMB 20-2:2968 136 LYS HG- 2.80 (# 2968:20 Single Ambig)
&rst
ixpk= 2968, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1809,1810,1809,1810,
igr2=1806,1807,
&end
#
# 111 LYS HB- 111 LYS HG+ 3.50 (# 2971:20 Unique 2.34, 2.76 A)
&rst
ixpk= 2971, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1401,1402,
igr2=1404,1405,
&end
#
# 0 AMB 20-2:2972 0 AMB 20-1:2972 3.50 (# 2972:20 Double Ambig)
&rst
ixpk= 2972, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1719,1720,1758, 817, 818,
igr2=1722,1723,1764,1765,1404,1405,
&end
#
# 44 ILE QD1 44 ILE HG1+ 3.50 (# 2976:20 Preassigned 2.33, 2.65 A)
&rst
ixpk= 2976, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 313, 314, 315,
igr2= 310, 311,
&end
#
# 52 LYS HE- 52 LYS HG+ 4.50 (# 2977:20 Unique 2.30, 2.96 A)
&rst
ixpk= 2977, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 454, 455,
igr2= 448, 449,
&end
#
# 52 LYS HB+ 52 LYS HG+ 4.50 (# 2978:20 Unique 2.32, 2.59 A)
&rst
ixpk= 2978, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 445, 446,
igr2= 448, 449,
&end
#
# 59 LEU HG 52 LYS HG+ 3.50 (# 2979:20 Unique 3.42, 4.09 A)
&rst
ixpk= 2979, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 448, 449,
&end
#
# 0 AMB 20-2:2980 0 AMB 20-1:2980 2.80 (# 2980:20 Double Ambig)
&rst
ixpk= 2980, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 445, 446,1401,1402,1484,1485,
igr2= 448, 449,1404,1405,1443,1444,
&end
#
# 131 LYS HB- 131 LYS HG- 3.50 (# 2981:20 Unique 2.28, 2.75 A)
&rst
ixpk= 2981, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1719,1720,
igr2=1722,1723,
&end
#
# 113 LYS HB+ 113 LYS HG+ 2.80 (# 2982:20 Preassigned 2.37, 2.77 A)
&rst
ixpk= 2982, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1440,1441,
igr2=1443,1444,
&end
#
# 113 LYS HB+ 113 LYS HG- 4.50 (# 2983:20 Unique 2.37, 2.77 A)
&rst
ixpk= 2983, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1440,1441,
igr2=1443,1444,
&end
#
# 0 AMB 20-2:2984 113 LYS HG- 2.80 (# 2984:20 Single Ambig)
&rst
ixpk= 2984, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1446,1447,1446,1447,
igr2=1443,1444,
&end
#
# 44 ILE HB 44 ILE HG1- 6.00 (# 2986:20 Unique 2.43, 2.77 A)
&rst
ixpk= 2986, nxpk= 20, iat= 304, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 310, 311,
&end
#
# 36 LYS HB- 36 LYS HG+ 4.50 (# 2987:20 Unique 2.26, 2.62 A)
&rst
ixpk= 2987, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 170, 171,
igr2= 173, 174,
&end
#
# 36 LYS HE- 36 LYS HG+ 6.00 (# 2989:20 Unique 2.29, 3.01 A)
&rst
ixpk= 2989, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 179, 180,
igr2= 173, 174,
&end
#
# 0 AMB 20-2:2990 0 AMB 20-1:2990 6.00 (# 2990:20 Double Ambig)
&rst
ixpk= 2990, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.89, r4=10.64,
igr1= 155, 156, 130, 131, 132,
igr2= 173, 174, 173, 174,
&end
#
# 95 LEU HN 95 LEU MDY 4.50 (# 2991:20 Unique 2.19, 4.36 A)
&rst
ixpk= 2991, nxpk= 20, iat=1117, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1126,1127,1128,1130,1131,1132,
&end
#
# 0 AMB 20-2:2992 95 LEU MDY 2.80 (# 2992:20 Single Ambig)
&rst
ixpk= 2992, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1119,1067,1068,
igr2=1126,1127,1128,1130,1131,1132,
&end
#
# 142 ALA MB 148 LEU MDX 2.80 (# 2993:20 Unique 2.62, 5.36 A)
&rst
ixpk= 2993, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1900,1901,1902,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 0 AMB 20-2:2994 0 AMB 20-1:2994 2.80 (# 2994:20 Double Ambig)
&rst
ixpk= 2994, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 170, 171,1987,
igr2= 173, 174,1989,1990,1991,1993,1994,1995,
&end
#
# 0 AMB 20-2:2995 95 LEU MDY 2.80 (# 2995:20 Single Ambig)
&rst
ixpk= 2995, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1121,1122,1166,1167,
igr2=1126,1127,1128,1130,1131,1132,
&end
#
# 95 LEU HG 95 LEU MDY 2.80 (# 2998:20 Unique 2.38, 2.67 A)
&rst
ixpk= 2998, nxpk= 20, iat=1124, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1126,1127,1128,1130,1131,1132,
&end
#
# 111 LYS HN 111 LYS HG- 8.00 (# 2999:20 Unique 2.00, 3.21 A)
&rst
ixpk= 2999, nxpk= 20, iat=1397, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1404,1405,
&end
#
# 52 LYS HN 52 LYS HG- 8.00 (# 3000:20 Unique 2.20, 3.25 A)
&rst
ixpk= 3000, nxpk= 20, iat= 441, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 448, 449,
&end
#
# 112 HIS HN 111 LYS HG+ 6.00 (# 3001:20 Unique 3.88, 4.86 A)
&rst
ixpk= 3001, nxpk= 20, iat=1419, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1404,1405,
&end
#
# 46 THR MG2 45 ARG HG+ 4.50 (# 3002:20 Unique 2.27, 3.87 A)
&rst
ixpk= 3002, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 349, 350, 351,
igr2= 326, 327,
&end
#
# 70 GLN HG- 78 LEU MDX 4.50 (# 3003:20 Unique 3.03, 7.16 A)
&rst
ixpk= 3003, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 722, 723,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 96 ILE QG2 56 LEU HG 4.50 (# 3004:20 Unique 2.85, 4.62 A)
&rst
ixpk= 3004, nxpk= 20, iat= -1, 512, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1142,1143,1144,
&end
#
# 70 GLN HB+ 78 LEU MDX 4.50 (# 3005:20 Unique 2.89, 6.16 A)
&rst
ixpk= 3005, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 719, 720,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 78 LEU HB- 78 LEU MDX 3.50 (# 3006:20 Unique 2.40, 3.33 A)
&rst
ixpk= 3006, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 850, 851,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 98 LEU HB- 98 LEU MDY 2.80 (# 3007:20 Unique 2.34, 3.32 A)
&rst
ixpk= 3007, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1166,1167,
igr2=1171,1172,1173,1175,1176,1177,
&end
#
# 78 LEU HB+ 78 LEU MDX 2.80 (# 3008:20 Preassigned 2.40, 3.33 A)
&rst
ixpk= 3008, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 850, 851,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 0 AMB 20-2:3010 103 LYS HG- 4.50 (# 3010:20 Single Ambig)
&rst
ixpk= 3010, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1255,1256,1255,1256,1261,1262,
igr2=1258,1259,
&end
#
# 0 AMB 20-2:3014 103 LYS HG- 6.00 (# 3014:20 Single Ambig)
&rst
ixpk= 3014, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 370, 371, 372, 306, 307, 308,
igr2=1258,1259,
&end
#
# 0 AMB 20-2:3015 0 AMB 20-1:3015 3.50 (# 3015:20 Double Ambig)
&rst
ixpk= 3015, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1255,1256,1255,1256,1261,1262,
igr2=1258,1259,1258,1259,1258,1259,
&end
#
# 0 AMB 20-2:3017 0 AMB 20-1:3017 4.50 (# 3017:20 Double Ambig)
&rst
ixpk= 3017, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 370, 371, 372, 306, 307, 308,
igr2=1258,1259,1258,1259,
&end
#
# 100 LEU MDX 100 LEU HG 6.00 (# 3018:20 Unique 2.37, 2.66 A)
&rst
ixpk= 3018, nxpk= 20, iat= -1,1199, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1201,1202,1203,1205,1206,1207,
&end
#
# 100 LEU HN 100 LEU HG 4.50 (# 3019:20 Unique 2.30, 4.05 A)
&rst
ixpk= 3019, nxpk= 20, iat=1192,1199, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 157 LEU HB- 157 LEU HG 4.50 (# 3020:20 Unique 2.48, 2.79 A)
&rst
ixpk= 3020, nxpk= 20, iat= -1,2139, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2136,2137,
&end
#
# 157 LEU MDX 157 LEU HG 2.80 (# 3021:20 Unique 2.37, 2.68 A)
&rst
ixpk= 3021, nxpk= 20, iat= -1,2139, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2141,2142,2143,2145,2146,2147,
&end
#
# 104 LEU HB- 104 LEU MDX 3.50 (# 3022:20 Unique 2.33, 3.30 A)
&rst
ixpk= 3022, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1277,1278,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 108 LEU MDY 108 LEU HG 3.50 (# 3023:20 Unique 2.37, 2.67 A)
&rst
ixpk= 3023, nxpk= 20, iat= -1,1351, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 108 LEU MDX 108 LEU HG 3.50 (# 3024:20 Unique 2.37, 2.67 A)
&rst
ixpk= 3024, nxpk= 20, iat= -1,1351, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 0 AMB 20-2:3025 108 LEU HG 3.50 (# 3025:20 Single Ambig)
&rst
ixpk= 3025, nxpk= 20, iat= -1,1351, r1= 0.00, r2= 1.80, r3= 5.37, r4= 6.12,
igr1=1282,1283,1284,1286,1287,1288,1282,1283,1284,1286,
1287,1288, 288,
&end
#
# 108 LEU MDX 104 LEU MDX 4.50 (# 3026:20 Unique 2.27, 5.45 A)
&rst
ixpk= 3026, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1353,1354,1355,1357,1358,1359,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 108 LEU MDY 104 LEU MDX 4.50 (# 3027:20 Unique 2.27, 5.45 A)
&rst
ixpk= 3027, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=1353,1354,1355,1357,1358,1359,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 0 AMB 20-2:3028 104 LEU MDX 2.80 (# 3028:20 Single Ambig)
&rst
ixpk= 3028, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.79, r4= 6.54,
igr1= 238, 239, 240, 242, 243, 244, 871, 872, 873, 875,
876, 877,1465,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 0 AMB 20-2:3029 100 LEU MDY 2.80 (# 3029:20 Single Ambig)
&rst
ixpk= 3029, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1= 906, 907, 908,1498,1499,1500,1196,1197,
igr2=1201,1202,1203,1205,1206,1207,
&end
#
# 0 AMB 20-2:3031 43 LEU HG 4.50 (# 3031:20 Single Ambig)
&rst
ixpk= 3031, nxpk= 20, iat= -1, 288, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1277,1278, 304,
&end
#
# 0 AMB 20-2:3033 43 LEU HG 2.80 (# 3033:20 Single Ambig)
&rst
ixpk= 3033, nxpk= 20, iat= -1, 288, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 285, 286,1351,
&end
#
# 108 LEU MDX 43 LEU HG 3.50 (# 3034:20 Unique 2.36, 4.39 A)
&rst
ixpk= 3034, nxpk= 20, iat= -1, 288, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 108 LEU MDY 43 LEU HG 3.50 (# 3035:20 Unique 2.36, 4.39 A)
&rst
ixpk= 3035, nxpk= 20, iat= -1, 288, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1353,1354,1355,1357,1358,1359,
&end
#
# 28 ARG HA 28 ARG HG+ 4.50 (# 3036:20 Unique 2.44, 3.10 A)
&rst
ixpk= 3036, nxpk= 20, iat= 23, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 28, 29,
&end
#
# 34 GLU HA 38 LEU HG 4.50 (# 3045:20 Unique 4.25, 4.50 A)
&rst
ixpk= 3045, nxpk= 20, iat= 138, 205, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 60 GLU HG- 60 GLU HB- 2.80 (# 3051:20 Unique 2.46, 2.77 A)
&rst
ixpk= 3051, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 580, 581,
igr2= 577, 578,
&end
#
# 60 GLU HA 60 GLU HB+ 4.50 (# 3052:20 Unique 2.42, 2.74 A)
&rst
ixpk= 3052, nxpk= 20, iat= 575, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 577, 578,
&end
#
# 60 GLU HN 60 GLU HB+ 6.00 (# 3053:20 Unique 3.65, 3.86 A)
&rst
ixpk= 3053, nxpk= 20, iat= 573, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 577, 578,
&end
#
# 162 LEU MDY 162 LEU HG 2.80 (# 3058:20 Unique 2.37, 2.65 A)
&rst
ixpk= 3058, nxpk= 20, iat= -1,2216, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2218,2219,2220,2222,2223,2224,
&end
#
# 0 AMB 20-2:3059 104 LEU HG 2.80 (# 3059:20 Single Ambig)
&rst
ixpk= 3059, nxpk= 20, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1282,1283,1284,1286,1287,1288,1282,1283,1284,1286,
1287,1288,
&end
#
# 38 LEU MDX 38 LEU HG 2.80 (# 3061:20 Unique 2.44, 2.66 A)
&rst
ixpk= 3061, nxpk= 20, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 207, 208, 209, 211, 212, 213,
&end
#
# 38 LEU HA 38 LEU HG 4.50 (# 3062:20 Unique 2.91, 3.05 A)
&rst
ixpk= 3062, nxpk= 20, iat= 200, 205, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 109 PRO HB+ 109 PRO HG+ 2.80 (# 3063:20 Unique 2.36, 2.63 A)
&rst
ixpk= 3063, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1370,1371,
igr2=1367,1368,
&end
#
# 0 AMB 20-2:3065 0 AMB 20-1:3065 2.80 (# 3065:20 Double Ambig)
&rst
ixpk= 3065, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1959,1960,1959,1960,
igr2=1956,1957,1956,1957,
&end
#
# 0 AMB 20-2:3066 0 AMB 20-1:3066 2.80 (# 3066:20 Double Ambig)
&rst
ixpk= 3066, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=2173,2174, 69, 70,
igr2=2170,2171, 66, 67,
&end
#
# 0 AMB 20-2:3067 0 AMB 20-1:3067 2.80 (# 3067:20 Double Ambig)
&rst
ixpk= 3067, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=2173,2174, 470, 471, 69, 70,
igr2=2170,2171, 467, 468, 66, 67,
&end
#
# 0 AMB 20-2:3070 0 AMB 20-1:3070 4.50 (# 3070:20 Double Ambig)
&rst
ixpk= 3070, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 470, 471,1569,1570,1569,1570,
igr2= 467, 468, 981, 982,
&end
#
# 99 CYS HA 99 CYS HB+ 8.00 (# 3071:20 Unique 2.38, 2.77 A)
&rst
ixpk= 3071, nxpk= 20, iat=1183, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1185,1186,
&end
#
# 0 AMB 20-2:3074 0 AMB 20-1:3074 4.50 (# 3074:20 Double Ambig)
&rst
ixpk= 3074, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 363, 364, 365, 370, 371, 372,
igr2=1185,1186,1185,1186,
&end
#
# 66 CYS HA 66 CYS HB- 4.50 (# 3076:20 Unique 2.27, 2.71 A)
&rst
ixpk= 3076, nxpk= 20, iat= 659, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 661, 662,
&end
#
# 0 AMB 20-2:3079 99 CYS HB- 4.50 (# 3079:20 Single Ambig)
&rst
ixpk= 3079, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 363, 364, 365, 370, 371, 372,
igr2=1185,1186,
&end
#
# 99 CYS HN 99 CYS HB- 6.00 (# 3080:20 Unique 2.39, 2.95 A)
&rst
ixpk= 3080, nxpk= 20, iat=1181, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1185,1186,
&end
#
# 29 GLN HA 30 PRO HG- 4.50 (# 3083:20 Unique 4.23, 4.55 A)
&rst
ixpk= 3083, nxpk= 20, iat= 47, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 66, 67,
&end
#
# 148 LEU HB+ 148 LEU HG 4.50 (# 3084:20 Unique 2.44, 2.78 A)
&rst
ixpk= 3084, nxpk= 20, iat= -1,1987, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1984,1985,
&end
#
# 0 AMB 20-2:3085 0 AMB 20-1:3085 2.80 (# 3085:20 Double Ambig)
&rst
ixpk= 3085, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1984,1985, 8, 9,
igr2=1987, 28, 29,
&end
#
# 0 AMB 20-2:3087 0 AMB 20-1:3087 2.80 (# 3087:20 Double Ambig)
&rst
ixpk= 3087, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1126,1127,1128,1130,1131,1132,2122,2123,2124,2126,
2127,2128,
igr2=1124,1316,1317,
&end
#
# 72 ILE QD1 72 ILE HG1- 2.80 (# 3089:20 Unique 2.35, 2.66 A)
&rst
ixpk= 3089, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 760, 761, 762,
igr2= 757, 758,
&end
#
# 72 ILE HB 72 ILE HG1- 3.50 (# 3091:20 Unique 2.47, 2.80 A)
&rst
ixpk= 3091, nxpk= 20, iat= 751, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 757, 758,
&end
#
# 78 LEU HB- 78 LEU HG 2.80 (# 3092:20 Preassigned 2.45, 2.76 A)
&rst
ixpk= 3092, nxpk= 20, iat= -1, 853, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 850, 851,
&end
#
# 72 ILE QD1 72 ILE HG1+ 2.80 (# 3095:20 Unique 2.35, 2.66 A)
&rst
ixpk= 3095, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 760, 761, 762,
igr2= 757, 758,
&end
#
# 118 ILE QG2 118 ILE HG1+ 3.50 (# 3097:20 Unique 2.24, 3.55 A)
&rst
ixpk= 3097, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1538,1539,1540,
igr2=1542,1543,
&end
#
# 114 LEU MDY 114 LEU HG 3.50 (# 3098:20 Unique 2.36, 2.65 A)
&rst
ixpk= 3098, nxpk= 20, iat= -1,1465, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1467,1468,1469,1471,1472,1473,
&end
#
# 114 LEU HB- 114 LEU HG 3.50 (# 3099:20 Unique 2.26, 2.56 A)
&rst
ixpk= 3099, nxpk= 20, iat= -1,1465, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1462,1463,
&end
#
# 114 LEU HB+ 114 LEU HG 3.50 (# 3100:20 Unique 2.26, 2.56 A)
&rst
ixpk= 3100, nxpk= 20, iat= -1,1465, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1462,1463,
&end
#
# 61 VAL MGY 59 LEU HG 6.00 (# 3101:20 Unique 4.00, 6.25 A)
&rst
ixpk= 3101, nxpk= 20, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 594, 595, 596, 598, 599, 600,
&end
#
# 59 LEU HB+ 59 LEU HG 3.50 (# 3102:20 Unique 2.25, 2.43 A)
&rst
ixpk= 3102, nxpk= 20, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 558, 559,
&end
#
# 54 ASN HB- 59 LEU HG 4.50 (# 3103:20 Unique 2.66, 4.92 A)
&rst
ixpk= 3103, nxpk= 20, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 481, 482,
&end
#
# 49 ASP HB+ 59 LEU HG 4.50 (# 3104:20 Unique 2.52, 3.61 A)
&rst
ixpk= 3104, nxpk= 20, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 404, 405,
&end
#
# 150 GLU HN 0 AMB 20-1:3105 4.50 (# 3105:20 Single Ambig)
&rst
ixpk= 3105, nxpk= 20, iat=2023, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=2006,2007,2006,2007,
&end
#
# 0 AMB 20-2:3106 0 AMB 20-1:3106 2.80 (# 3106:20 Double Ambig)
&rst
ixpk= 3106, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1840,1841,1741,1742,1296,1297,
igr2=1843,1844,1316,1317,
&end
#
# 0 AMB 20-2:3107 0 AMB 20-1:3107 2.80 (# 3107:20 Double Ambig)
&rst
ixpk= 3107, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1840,1841,1741,1742,
igr2=1843,1844,1843,1844,
&end
#
# 105 GLN HG- 105 GLN HB+ 2.80 (# 3110:20 Unique 2.35, 2.75 A)
&rst
ixpk= 3110, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1299,1300,
igr2=1296,1297,
&end
#
# 105 GLN HG- 105 GLN HB- 2.80 (# 3111:20 Unique 2.35, 2.75 A)
&rst
ixpk= 3111, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1299,1300,
igr2=1296,1297,
&end
#
# 53 PRO HD+ 53 PRO HB+ 6.00 (# 3112:20 Unique 2.82, 3.68 A)
&rst
ixpk= 3112, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 464, 465,
igr2= 470, 471,
&end
#
# 105 GLN HA 105 GLN HB+ 3.50 (# 3113:20 Unique 2.43, 2.78 A)
&rst
ixpk= 3113, nxpk= 20, iat=1294, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1296,1297,
&end
#
# 105 GLN HA 105 GLN HB- 3.50 (# 3114:20 Unique 2.43, 2.78 A)
&rst
ixpk= 3114, nxpk= 20, iat=1294, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1296,1297,
&end
#
# 53 PRO HG+ 53 PRO HB+ 3.50 (# 3116:20 Unique 2.36, 2.63 A)
&rst
ixpk= 3116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 467, 468,
igr2= 470, 471,
&end
#
# 102 VAL HA 105 GLN HB+ 4.50 (# 3117:20 Unique 2.26, 3.14 A)
&rst
ixpk= 3117, nxpk= 20, iat=1237, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1296,1297,
&end
#
# 53 PRO HA 53 PRO HB+ 4.50 (# 3118:20 Unique 2.31, 2.55 A)
&rst
ixpk= 3118, nxpk= 20, iat= 473, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 470, 471,
&end
#
# 100 LEU HA 104 LEU HG 6.00 (# 3119:20 Unique 3.91, 4.54 A)
&rst
ixpk= 3119, nxpk= 20, iat=1194,1280, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:3121 0 AMB 20-1:3121 2.80 (# 3121:20 Double Ambig)
&rst
ixpk= 3121, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 419, 420, 419, 420,
igr2= 416, 417, 416, 417,
&end
#
# 53 PRO HG+ 53 PRO HB- 2.80 (# 3122:20 Unique 2.36, 2.63 A)
&rst
ixpk= 3122, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 467, 468,
igr2= 470, 471,
&end
#
# 80 ILE HB 80 ILE HG1+ 4.50 (# 3124:20 Unique 2.45, 2.76 A)
&rst
ixpk= 3124, nxpk= 20, iat= 885, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 891, 892,
&end
#
# 0 AMB 20-2:3127 0 AMB 20-1:3127 2.80 (# 3127:20 Double Ambig)
&rst
ixpk= 3127, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1= 313, 314, 315, 913, 914, 915,1505,1506,1507,
igr2= 910, 911, 910, 911, 910, 911,
&end
#
# 118 ILE QG2 118 ILE HG1- 4.50 (# 3128:20 Unique 2.24, 3.55 A)
&rst
ixpk= 3128, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1538,1539,1540,
igr2=1542,1543,
&end
#
# 32 ILE QD1 32 ILE HG1- 2.80 (# 3129:20 Preassigned 2.34, 2.66 A)
&rst
ixpk= 3129, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 113, 114, 115,
igr2= 110, 111,
&end
#
# 0 AMB 20-2:3130 0 AMB 20-1:3130 3.50 (# 3130:20 Double Ambig)
&rst
ixpk= 3130, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
igr1=2080,2081,2080,2081,2080,2081, 52, 53,
igr2=2006,2007,2006,2007,2006,2007, 83, 84,
&end
#
# 95 LEU HB- 95 LEU HG 2.80 (# 3131:20 Unique 2.37, 2.73 A)
&rst
ixpk= 3131, nxpk= 20, iat= -1,1124, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1121,1122,
&end
#
# 151 ILE QD1 151 ILE HG1- 2.80 (# 3132:20 Unique 2.40, 2.66 A)
&rst
ixpk= 3132, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2051,2052,2053,
igr2=2048,2049,
&end
#
# 104 LEU HN 104 LEU HG 4.50 (# 3134:20 Unique 2.34, 2.58 A)
&rst
ixpk= 3134, nxpk= 20, iat=1273,1280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:3136 104 LEU HG 3.50 (# 3136:20 Single Ambig)
&rst
ixpk= 3136, nxpk= 20, iat= -1,1280, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 238, 239, 240, 242, 243, 244, 871, 872, 873, 875,
876, 877,
&end
#
# 0 AMB 20-2:3137 0 AMB 20-1:3137 2.80 (# 3137:20 Double Ambig)
&rst
ixpk= 3137, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.99, r4= 6.74,
igr1=1083,1084,1085,1087,1088,1089,2044,2045,2046,1149,
1150,1151,
igr2= 416, 417, 416, 417, 416, 417, 416, 417,
&end
#
# 95 LEU HB- 0 AMB 20-1:3138 4.50 (# 3138:20 Single Ambig)
&rst
ixpk= 3138, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1121,1122,
igr2= 416, 417, 416, 417,
&end
#
# 0 AMB 20-2:3139 80 ILE HG1- 2.80 (# 3139:20 Single Ambig)
&rst
ixpk= 3139, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 885, 850, 851,
igr2= 891, 892,
&end
#
# 0 AMB 20-2:3140 0 AMB 20-1:3140 3.50 (# 3140:20 Double Ambig)
&rst
ixpk= 3140, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 413, 414, 464, 465,
igr2= 416, 417, 416, 417, 470, 471,
&end
#
# 0 AMB 20-2:3141 0 AMB 20-1:3141 4.50 (# 3141:20 Double Ambig)
&rst
ixpk= 3141, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2042,2027,2028,
igr2=2048,2049,2048,2049,
&end
#
# 151 ILE QD1 151 ILE HG1+ 2.80 (# 3143:20 Unique 2.40, 2.66 A)
&rst
ixpk= 3143, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2051,2052,2053,
igr2=2048,2049,
&end
#
# 129 ILE QG2 129 ILE HG1+ 3.50 (# 3144:20 Unique 2.28, 3.49 A)
&rst
ixpk= 3144, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1688,1689,1690,
igr2=1692,1693,
&end
#
# 129 ILE HB 129 ILE HG1+ 4.50 (# 3146:20 Unique 2.37, 2.69 A)
&rst
ixpk= 3146, nxpk= 20, iat=1686, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1692,1693,
&end
#
# 129 ILE QG2 129 ILE HG1- 3.50 (# 3148:20 Unique 2.28, 3.49 A)
&rst
ixpk= 3148, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1688,1689,1690,
igr2=1692,1693,
&end
#
# 0 AMB 20-2:3150 0 AMB 20-1:3150 3.50 (# 3150:20 Double Ambig)
&rst
ixpk= 3150, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2025,2075,
igr2=2077,2078,2077,2078,
&end
#
# 0 AMB 20-2:3151 0 AMB 20-1:3151 2.80 (# 3151:20 Double Ambig)
&rst
ixpk= 3151, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=2080,2081,2080,2081,
igr2=2077,2078,2077,2078,
&end
#
# 133 ILE QG2 0 AMB 20-1:3152 6.00 (# 3152:20 Single Ambig)
&rst
ixpk= 3152, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1760,1761,1762,
igr2=1741,1742,1741,1742,
&end
#
# 157 LEU MDX 154 GLN HB- 6.00 (# 3153:20 Preassigned 4.47, 7.10 A)
&rst
ixpk= 3153, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=2141,2142,2143,2145,2146,2147,
igr2=2092,2093,
&end
#
# 157 LEU MDX 154 GLN HB+ 6.00 (# 3154:20 Unique 4.47, 7.10 A)
&rst
ixpk= 3154, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=2141,2142,2143,2145,2146,2147,
igr2=2092,2093,
&end
#
# 151 ILE HA 154 GLN HB+ 6.00 (# 3155:20 Unique 2.26, 3.58 A)
&rst
ixpk= 3155, nxpk= 20, iat=2040, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2092,2093,
&end
#
# 154 GLN HA 154 GLN HB+ 3.50 (# 3156:20 Unique 2.52, 2.81 A)
&rst
ixpk= 3156, nxpk= 20, iat=2090, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2092,2093,
&end
#
# 132 GLN HN 132 GLN HB- 3.50 (# 3157:20 Unique 2.14, 2.99 A)
&rst
ixpk= 3157, nxpk= 20, iat=1737, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1741,1742,
&end
#
# 72 ILE QD1 0 AMB 20-1:3158 4.50 (# 3158:20 Single Ambig)
&rst
ixpk= 3158, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 760, 761, 762,
igr2=1446,1447,1446,1447,
&end
#
# 0 AMB 20-2:3159 0 AMB 20-1:3159 3.50 (# 3159:20 Double Ambig)
&rst
ixpk= 3159, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 855, 856, 857, 859, 860, 861, 207, 208, 209, 211,
212, 213,
igr2=1446,1447,1446,1447, 635, 636,
&end
#
# 0 AMB 20-2:3161 153 GLU HB- 2.80 (# 3161:20 Single Ambig)
&rst
ixpk= 3161, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=2080,2081,2080,2081,
igr2=2077,2078,
&end
#
# 35 GLU HA 35 GLU HB+ 2.80 (# 3162:20 Unique 2.28, 2.70 A)
&rst
ixpk= 3162, nxpk= 20, iat= 153, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 155, 156,
&end
#
# 47 ILE QG2 155 CYS HB+ 4.50 (# 3163:20 Unique 2.35, 4.29 A)
&rst
ixpk= 3163, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 363, 364, 365,
igr2=2109,2110,
&end
#
# 47 ILE QG2 155 CYS HB- 4.50 (# 3164:20 Unique 2.35, 4.29 A)
&rst
ixpk= 3164, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 363, 364, 365,
igr2=2109,2110,
&end
#
# 0 AMB 20-2:3165 0 AMB 20-1:3165 6.00 (# 3165:20 Double Ambig)
&rst
ixpk= 3165, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.44, r4=12.19,
igr1=2122,2123,2124,2126,2127,2128,2063,2064,2065,2067,
2068,2069,
igr2=2109,2110,2109,2110,
&end
#
# 156 VAL MGY 155 CYS HB- 6.00 (# 3166:20 Unique 3.14, 5.90 A)
&rst
ixpk= 3166, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=2122,2123,2124,2126,2127,2128,
igr2=2109,2110,
&end
#
# 0 AMB 20-2:3167 0 AMB 20-1:3167 6.00 (# 3167:20 Double Ambig)
&rst
ixpk= 3167, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 422,2107,
igr2=2109,2110,2109,2110,
&end
#
# 155 CYS HA 155 CYS HB- 6.00 (# 3168:20 Unique 2.36, 2.74 A)
&rst
ixpk= 3168, nxpk= 20, iat=2107, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2109,2110,
&end
#
# 156 VAL HN 155 CYS HB+ 6.00 (# 3169:20 Unique 2.50, 3.41 A)
&rst
ixpk= 3169, nxpk= 20, iat=2116, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=2109,2110,
&end
#
# 155 CYS HN 155 CYS HB+ 4.50 (# 3170:20 Unique 2.29, 2.99 A)
&rst
ixpk= 3170, nxpk= 20, iat=2105, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2109,2110,
&end
#
# 162 LEU MDX 161 GLN HB- 4.50 (# 3171:20 Unique 2.82, 6.03 A)
&rst
ixpk= 3171, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=2218,2219,2220,2222,2223,2224,
igr2=2196,2197,
&end
#
# 0 AMB 20-2:3172 0 AMB 20-1:3172 3.50 (# 3172:20 Double Ambig)
&rst
ixpk= 3172, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1= 207, 208, 209, 211, 212, 213, 173, 174,
igr2= 155, 156, 155, 156,
&end
#
# 0 AMB 20-2:3173 0 AMB 20-1:3173 4.50 (# 3173:20 Double Ambig)
&rst
ixpk= 3173, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 207, 208, 209, 211, 212, 213,2141,2142,2143,2145,
2146,2147,
igr2= 155, 156,2155,2156,
&end
#
# 162 LEU MDX 161 GLN HB+ 3.50 (# 3174:20 Preassigned 2.82, 6.03 A)
&rst
ixpk= 3174, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2218,2219,2220,2222,2223,2224,
igr2=2196,2197,
&end
#
# 40 VAL MGY 39 GLU HB- 6.00 (# 3175:20 Unique 3.44, 6.13 A)
&rst
ixpk= 3175, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 238, 239, 240, 242, 243, 244,
igr2= 221, 222,
&end
#
# 94 THR MG2 132 GLN HB+ 6.00 (# 3176:20 Unique 2.32, 3.61 A)
&rst
ixpk= 3176, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1109,1110,1111,
igr2=1741,1742,
&end
#
# 162 LEU HB- 161 GLN HB+ 4.50 (# 3177:20 Preassigned 4.39, 5.84 A)
&rst
ixpk= 3177, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2213,2214,
igr2=2196,2197,
&end
#
# 0 AMB 20-2:3178 0 AMB 20-1:3178 2.80 (# 3178:20 Double Ambig)
&rst
ixpk= 3178, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1803,1804,1803,1804,
igr2=1809,1810,1809,1810,
&end
#
# 0 AMB 20-2:3179 0 AMB 20-1:3179 2.80 (# 3179:20 Double Ambig)
&rst
ixpk= 3179, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1= 787, 788, 787, 788, 787, 788, 802, 803,
igr2= 784, 785, 784, 785, 784, 785, 784, 785,
&end
#
# 0 AMB 20-2:3180 0 AMB 20-1:3180 3.50 (# 3180:20 Double Ambig)
&rst
ixpk= 3180, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 802, 803, 802, 803,1828,1829,
igr2=1407,1408,1407,1408,1809,1810,1809,1810,
&end
#
# 129 ILE HA 0 AMB 20-1:3181 6.00 (# 3181:20 Single Ambig)
&rst
ixpk= 3181, nxpk= 20, iat=1684, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1741,1742,1741,1742,
&end
#
# 161 GLN HA 161 GLN HB- 2.80 (# 3183:20 Unique 2.27, 2.73 A)
&rst
ixpk= 3183, nxpk= 20, iat=2194, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2196,2197,
&end
#
# 131 LYS HA 0 AMB 20-1:3184 6.00 (# 3184:20 Single Ambig)
&rst
ixpk= 3184, nxpk= 20, iat=1717, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1725,1726,1725,1726,
&end
#
# 138 ARG HN 137 GLU HB+ 3.50 (# 3185:20 Unique 2.52, 3.22 A)
&rst
ixpk= 3185, nxpk= 20, iat=1836, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1825,1826,
&end
#
# 125 THR MG2 125 THR HA 4.50 (# 3187:20 Unique 2.35, 3.22 A)
&rst
ixpk= 3187, nxpk= 20, iat= -1,1628, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1632,1633,1634,
&end
#
# 27 MET HB- 27 MET HA 4.50 (# 3188:20 Unique 2.40, 2.76 A)
&rst
ixpk= 3188, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 8, 9,
&end
#
# 27 MET HB+ 27 MET HG+ 4.50 (# 3189:20 Unique 2.32, 2.67 A)
&rst
ixpk= 3189, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 8, 9,
igr2= 11, 12,
&end
#
# 27 MET HB- 27 MET HG- 4.50 (# 3190:20 Unique 2.32, 2.67 A)
&rst
ixpk= 3190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 8, 9,
igr2= 11, 12,
&end
#
# 0 AMB 20-2:3191 0 AMB 20-1:3191 4.50 (# 3191:20 Double Ambig)
&rst
ixpk= 3191, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 76, 45, 21,
igr2= 80, 81, 25, 26, 25, 26,
&end
#
# 0 AMB 20-2:3192 29 GLN HB- 6.00 (# 3192:20 Single Ambig)
&rst
ixpk= 3192, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 45, 76,
igr2= 49, 50,
&end
#
# 31 ARG HN 31 ARG HB+ 6.00 (# 3195:20 Unique 2.26, 3.29 A)
&rst
ixpk= 3195, nxpk= 20, iat= 76, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 80, 81,
&end
#
# 35 GLU HA 0 AMB 20-1:3198 2.80 (# 3198:20 Single Ambig)
&rst
ixpk= 3198, nxpk= 20, iat= 153, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 158, 159, 143, 144,
&end
#
# 29 GLN HN 29 GLN HB+ 4.50 (# 3199:20 Unique 2.29, 3.08 A)
&rst
ixpk= 3199, nxpk= 20, iat= 45, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 49, 50,
&end
#
# 36 LYS HG- 36 LYS HA 4.50 (# 3201:20 Unique 2.65, 3.49 A)
&rst
ixpk= 3201, nxpk= 20, iat= -1, 168, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 173, 174,
&end
#
# 36 LYS HE+ 36 LYS HG+ 6.00 (# 3202:20 Unique 2.29, 3.01 A)
&rst
ixpk= 3202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 179, 180,
igr2= 173, 174,
&end
#
# 36 LYS HA 36 LYS HD- 8.00 (# 3203:20 Unique 2.08, 3.00 A)
&rst
ixpk= 3203, nxpk= 20, iat= 168, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 176, 177,
&end
#
# 36 LYS HD+ 36 LYS HE+ 4.50 (# 3204:20 Unique 2.36, 2.75 A)
&rst
ixpk= 3204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 176, 177,
igr2= 179, 180,
&end
#
# 36 LYS HD+ 36 LYS HE- 4.50 (# 3205:20 Unique 2.36, 2.75 A)
&rst
ixpk= 3205, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 176, 177,
igr2= 179, 180,
&end
#
# 36 LYS HG+ 36 LYS HE+ 4.50 (# 3206:20 Unique 2.29, 3.01 A)
&rst
ixpk= 3206, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 173, 174,
igr2= 179, 180,
&end
#
# 36 LYS HG+ 36 LYS HE- 4.50 (# 3207:20 Unique 2.29, 3.01 A)
&rst
ixpk= 3207, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 173, 174,
igr2= 179, 180,
&end
#
# 67 VAL MGX 37 ALA HA 3.50 (# 3212:20 Unique 2.27, 4.26 A)
&rst
ixpk= 3212, nxpk= 20, iat= -1, 190, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 38 LEU HA 37 ALA MB 4.50 (# 3213:20 Unique 4.28, 5.10 A)
&rst
ixpk= 3213, nxpk= 20, iat= 200, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 192, 193, 194,
&end
#
# 41 TYR HB- 38 LEU HA 4.50 (# 3215:20 Unique 2.44, 3.23 A)
&rst
ixpk= 3215, nxpk= 20, iat= -1, 200, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 252, 253,
&end
#
# 37 ALA MB 38 LEU HA 6.00 (# 3216:20 Unique 4.28, 5.10 A)
&rst
ixpk= 3216, nxpk= 20, iat= -1, 200, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 192, 193, 194,
&end
#
# 38 LEU MDY 38 LEU HB+ 3.50 (# 3217:20 Unique 2.38, 3.31 A)
&rst
ixpk= 3217, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 207, 208, 209, 211, 212, 213,
igr2= 202, 203,
&end
#
# 38 LEU MDY 38 LEU HB- 2.80 (# 3218:20 Unique 2.38, 3.31 A)
&rst
ixpk= 3218, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 207, 208, 209, 211, 212, 213,
igr2= 202, 203,
&end
#
# 149 ARG HN 148 LEU HG 6.00 (# 3221:20 Unique 4.37, 4.53 A)
&rst
ixpk= 3221, nxpk= 20, iat=1999,1987, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 35 GLU HA 38 LEU MDY 6.00 (# 3223:20 Unique 2.11, 4.22 A)
&rst
ixpk= 3223, nxpk= 20, iat= 153, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 0 AMB 20-2:3224 38 LEU MDY 2.80 (# 3224:20 Single Ambig)
&rst
ixpk= 3224, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 202, 203, 635, 636,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 40 VAL HN 39 GLU HA 4.50 (# 3225:20 Unique 3.59, 3.60 A)
&rst
ixpk= 3225, nxpk= 20, iat= 232, 219, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:3226 0 AMB 20-1:3226 2.80 (# 3226:20 Double Ambig)
&rst
ixpk= 3226, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1551, 136,
igr2=1553, 138,
&end
#
# 44 ILE HN 44 ILE HG1+ 6.00 (# 3230:20 Unique 2.06, 2.71 A)
&rst
ixpk= 3230, nxpk= 20, iat= 300, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 310, 311,
&end
#
# 44 ILE HN 44 ILE HG1- 8.00 (# 3231:20 Unique 2.06, 2.71 A)
&rst
ixpk= 3231, nxpk= 20, iat= 300, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 310, 311,
&end
#
# 46 THR HA 45 ARG HB+ 8.00 (# 3233:20 Unique 4.40, 5.43 A)
&rst
ixpk= 3233, nxpk= 20, iat= 345, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 323, 324,
&end
#
# 45 ARG HE 45 ARG HB+ 8.00 (# 3234:20 Unique 2.28, 4.10 A)
&rst
ixpk= 3234, nxpk= 20, iat= 332, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 323, 324,
&end
#
# 42 ASP HA 45 ARG HG+ 8.00 (# 3237:20 Unique 2.25, 3.57 A)
&rst
ixpk= 3237, nxpk= 20, iat= 271, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 326, 327,
&end
#
# 45 ARG HD- 45 ARG HG+ 6.00 (# 3238:20 Unique 2.38, 2.71 A)
&rst
ixpk= 3238, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 329, 330,
igr2= 326, 327,
&end
#
# 45 ARG HN 46 THR MG2 6.00 (# 3239:20 Unique 4.36, 5.72 A)
&rst
ixpk= 3239, nxpk= 20, iat= 319, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 349, 350, 351,
&end
#
# 47 ILE HN 46 THR MG2 6.00 (# 3240:20 Unique 4.74, 5.29 A)
&rst
ixpk= 3240, nxpk= 20, iat= 357, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 349, 350, 351,
&end
#
# 47 ILE HA 47 ILE HB 8.00 (# 3242:20 Unique 3.04, 3.05 A)
&rst
ixpk= 3242, nxpk= 20, iat= 359, 361, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 103 LYS HG- 47 ILE QD1 4.50 (# 3245:20 Unique 2.22, 4.68 A)
&rst
ixpk= 3245, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1258,1259,
igr2= 370, 371, 372,
&end
#
# 0 AMB 20-2:3246 47 ILE QD1 2.80 (# 3246:20 Single Ambig)
&rst
ixpk= 3246, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1= 304, 367, 368, 367, 368,
igr2= 370, 371, 372,
&end
#
# 47 ILE HB 47 ILE QD1 2.80 (# 3247:20 Unique 2.35, 3.13 A)
&rst
ixpk= 3247, nxpk= 20, iat= 361, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 370, 371, 372,
&end
#
# 161 GLN HB- 161 GLN HA 2.80 (# 3248:20 Unique 2.27, 2.73 A)
&rst
ixpk= 3248, nxpk= 20, iat= -1,2194, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2196,2197,
&end
#
# 0 AMB 20-2:3249 48 ARG HB- 4.50 (# 3249:20 Single Ambig)
&rst
ixpk= 3249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 378,2176,
igr2= 380, 381,
&end
#
# 84 THR HB 85 PRO HD+ 4.50 (# 3255:20 Preassigned 2.35, 4.45 A)
&rst
ixpk= 3255, nxpk= 20, iat= 967, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 978, 979,
&end
#
# 51 GLU HB- 51 GLU HG+ 2.80 (# 3256:20 Unique 2.38, 2.72 A)
&rst
ixpk= 3256, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 430, 431,
igr2= 433, 434,
&end
#
# 51 GLU HB- 51 GLU HG- 2.80 (# 3257:20 Unique 2.38, 2.72 A)
&rst
ixpk= 3257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 430, 431,
igr2= 433, 434,
&end
#
# 30 PRO HD- 30 PRO HG+ 3.50 (# 3258:20 Unique 2.31, 2.61 A)
&rst
ixpk= 3258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 63, 64,
igr2= 66, 67,
&end
#
# 55 THR MG2 55 THR HA 4.50 (# 3260:20 Unique 2.43, 3.12 A)
&rst
ixpk= 3260, nxpk= 20, iat= -1, 493, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 497, 498, 499,
&end
#
# 55 THR MG2 55 THR HB 4.50 (# 3261:20 Unique 2.39, 2.66 A)
&rst
ixpk= 3261, nxpk= 20, iat= -1, 495, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 497, 498, 499,
&end
#
# 57 GLU HB+ 57 GLU HA 4.50 (# 3266:20 Unique 2.33, 2.68 A)
&rst
ixpk= 3266, nxpk= 20, iat= -1, 526, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 528, 529,
&end
#
# 57 GLU HB- 57 GLU HA 2.80 (# 3267:20 Unique 2.33, 2.68 A)
&rst
ixpk= 3267, nxpk= 20, iat= -1, 526, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 528, 529,
&end
#
# 0 AMB 20-2:3269 57 GLU HB- 6.00 (# 3269:20 Single Ambig)
&rst
ixpk= 3269, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 531, 532, 531, 532,
igr2= 528, 529,
&end
#
# 0 AMB 20-2:3270 0 AMB 20-1:3270 4.50 (# 3270:20 Double Ambig)
&rst
ixpk= 3270, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1= 531, 532, 531, 532,
igr2= 528, 529, 528, 529,
&end
#
# 57 GLU HN 57 GLU HB+ 4.50 (# 3271:20 Unique 2.38, 2.71 A)
&rst
ixpk= 3271, nxpk= 20, iat= 524, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 528, 529,
&end
#
# 59 LEU HG 59 LEU HB- 2.80 (# 3273:20 Unique 2.25, 2.43 A)
&rst
ixpk= 3273, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 558, 559,
&end
#
# 0 AMB 20-2:3274 59 LEU MDY 8.00 (# 3274:20 Single Ambig)
&rst
ixpk= 3274, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1= 539, 573,
igr2= 563, 564, 565, 567, 568, 569,
&end
#
# 54 ASN HN 59 LEU MDY 8.00 (# 3275:20 Unique 3.16, 5.51 A)
&rst
ixpk= 3275, nxpk= 20, iat= 477, -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr2= 563, 564, 565, 567, 568, 569,
&end
#
# 58 GLU HA 59 LEU MDY 8.00 (# 3276:20 Unique 4.80, 6.50 A)
&rst
ixpk= 3276, nxpk= 20, iat= 541, -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr2= 563, 564, 565, 567, 568, 569,
&end
#
# 60 GLU HN 60 GLU HB- 8.00 (# 3277:20 Unique 3.65, 3.86 A)
&rst
ixpk= 3277, nxpk= 20, iat= 573, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 577, 578,
&end
#
# 61 VAL MGY 61 VAL HB 3.50 (# 3280:20 Unique 2.32, 2.64 A)
&rst
ixpk= 3280, nxpk= 20, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 594, 595, 596, 598, 599, 600,
&end
#
# 62 VAL HN 62 VAL HA 4.50 (# 3281:20 Unique 2.89, 2.97 A)
&rst
ixpk= 3281, nxpk= 20, iat= 604, 606, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 VAL HB 62 VAL HA 4.50 (# 3282:20 Unique 2.40, 2.66 A)
&rst
ixpk= 3282, nxpk= 20, iat= 608, 606, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 62 VAL MGY 62 VAL HA 4.50 (# 3283:20 Unique 2.35, 3.40 A)
&rst
ixpk= 3283, nxpk= 20, iat= -1, 606, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 610, 611, 612, 614, 615, 616,
&end
#
# 62 VAL MGX 62 VAL HA 6.00 (# 3284:20 Unique 2.35, 3.40 A)
&rst
ixpk= 3284, nxpk= 20, iat= -1, 606, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 610, 611, 612, 614, 615, 616,
&end
#
# 63 SER HN 62 VAL HA 4.50 (# 3285:20 Unique 2.04, 2.20 A)
&rst
ixpk= 3285, nxpk= 20, iat= 620, 606, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 GLU HN 64 GLU HA 4.50 (# 3287:20 Unique 2.75, 2.83 A)
&rst
ixpk= 3287, nxpk= 20, iat= 631, 633, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 64 GLU HG+ 64 GLU HA 6.00 (# 3288:20 Unique 2.49, 3.05 A)
&rst
ixpk= 3288, nxpk= 20, iat= -1, 633, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 638, 639,
&end
#
# 64 GLU HG- 64 GLU HA 4.50 (# 3289:20 Unique 2.49, 3.05 A)
&rst
ixpk= 3289, nxpk= 20, iat= -1, 633, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 638, 639,
&end
#
# 64 GLU HB- 64 GLU HA 3.50 (# 3290:20 Unique 2.37, 2.71 A)
&rst
ixpk= 3290, nxpk= 20, iat= -1, 633, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 635, 636,
&end
#
# 64 GLU HB+ 64 GLU HA 3.50 (# 3291:20 Unique 2.37, 2.71 A)
&rst
ixpk= 3291, nxpk= 20, iat= -1, 633, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 635, 636,
&end
#
# 41 TYR HB+ 64 GLU HA 8.00 (# 3294:20 Unique 2.40, 3.35 A)
&rst
ixpk= 3294, nxpk= 20, iat= -1, 633, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 252, 253,
&end
#
# 65 SER HA 65 SER HB- 2.80 (# 3297:20 Unique 2.39, 2.58 A)
&rst
ixpk= 3297, nxpk= 20, iat= 648, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 650, 651,
&end
#
# 67 VAL MGY 67 VAL HA 4.50 (# 3303:20 Unique 2.41, 3.21 A)
&rst
ixpk= 3303, nxpk= 20, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 68 GLU HN 67 VAL HA 4.50 (# 3304:20 Unique 2.15, 2.18 A)
&rst
ixpk= 3304, nxpk= 20, iat= 684, 670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 67 VAL MGX 68 GLU HA 8.00 (# 3306:20 Unique 3.31, 5.44 A)
&rst
ixpk= 3306, nxpk= 20, iat= -1, 686, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 0 AMB 20-2:3307 68 GLU HA 8.00 (# 3307:20 Single Ambig)
&rst
ixpk= 3307, nxpk= 20, iat= -1, 686, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1= 705, 706, 707, 709, 710, 711, 113, 114, 115, 894,
895, 896,
&end
#
# 67 VAL HA 0 AMB 20-1:3309 6.00 (# 3309:20 Single Ambig)
&rst
ixpk= 3309, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2= 688, 689, 688, 689,
&end
#
# 68 GLU HN 68 GLU HG- 8.00 (# 3310:20 Unique 3.27, 4.52 A)
&rst
ixpk= 3310, nxpk= 20, iat= 684, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 691, 692,
&end
#
# 79 VAL HA 69 VAL HA 4.50 (# 3311:20 Unique 2.36, 2.48 A)
&rst
ixpk= 3311, nxpk= 20, iat= 867, 701, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 70 GLN HB- 69 VAL HA 6.00 (# 3312:20 Unique 4.17, 4.97 A)
&rst
ixpk= 3312, nxpk= 20, iat= -1, 701, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 719, 720,
&end
#
# 0 AMB 20-2:3313 87 VAL MGX 6.00 (# 3313:20 Single Ambig)
&rst
ixpk= 3313, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
igr1=1039,1040, 454, 455, 454, 455,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 70 GLN HN 70 GLN HA 4.50 (# 3314:20 Unique 2.97, 3.00 A)
&rst
ixpk= 3314, nxpk= 20, iat= 715, 717, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 71 GLU HN 70 GLN HA 3.50 (# 3315:20 Unique 2.16, 2.32 A)
&rst
ixpk= 3315, nxpk= 20, iat= 732, 717, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:3317 70 GLN HA 3.50 (# 3317:20 Single Ambig)
&rst
ixpk= 3317, nxpk= 20, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
igr1= 719, 720, 130, 131, 132, 123, 124,
&end
#
# 0 AMB 20-2:3318 70 GLN HA 6.00 (# 3318:20 Single Ambig)
&rst
ixpk= 3318, nxpk= 20, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 719, 720, 80, 81,
&end
#
# 70 GLN HG+ 70 GLN HA 4.50 (# 3319:20 Unique 2.49, 2.96 A)
&rst
ixpk= 3319, nxpk= 20, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 722, 723,
&end
#
# 32 ILE QD1 70 GLN HA 4.50 (# 3320:20 Unique 2.40, 5.44 A)
&rst
ixpk= 3320, nxpk= 20, iat= -1, 717, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 113, 114, 115,
&end
#
# 70 GLN HN 70 GLN HB+ 8.00 (# 3322:20 Unique 2.56, 3.21 A)
&rst
ixpk= 3322, nxpk= 20, iat= 715, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 719, 720,
&end
#
# 0 AMB 20-2:3323 70 GLN HB- 3.50 (# 3323:20 Single Ambig)
&rst
ixpk= 3323, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 113, 114, 115, 855, 856, 857, 859, 860, 861, 894,
895, 896,
igr2= 719, 720,
&end
#
# 70 GLN HE2+ 70 GLN HG+ 4.50 (# 3324:20 Unique 2.35, 3.27 A)
&rst
ixpk= 3324, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 727, 728,
igr2= 722, 723,
&end
#
# 70 GLN HN 70 GLN HG- 6.00 (# 3325:20 Unique 2.57, 3.63 A)
&rst
ixpk= 3325, nxpk= 20, iat= 715, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 722, 723,
&end
#
# 0 AMB 20-2:3328 0 AMB 20-1:3328 3.50 (# 3328:20 Double Ambig)
&rst
ixpk= 3328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 795, 699,
igr2= 802, 803, 691, 692,
&end
#
# 133 ILE QG2 133 ILE HA 3.50 (# 3329:20 Unique 2.35, 3.11 A)
&rst
ixpk= 3329, nxpk= 20, iat= -1,1756, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1760,1761,1762,
&end
#
# 129 ILE HB 126 GLU HA 4.50 (# 3330:20 Unique 2.27, 2.56 A)
&rst
ixpk= 3330, nxpk= 20, iat=1686,1642, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 0 AMB 20-2:3332 126 GLU HA 3.50 (# 3332:20 Single Ambig)
&rst
ixpk= 3332, nxpk= 20, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1701,1655,
&end
#
# 74 GLU HN 0 AMB 20-1:3333 6.00 (# 3333:20 Single Ambig)
&rst
ixpk= 3333, nxpk= 20, iat= 780, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2= 787, 788, 787, 788,
&end
#
# 0 AMB 20-2:3334 0 AMB 20-1:3334 4.50 (# 3334:20 Double Ambig)
&rst
ixpk= 3334, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1= 207, 208, 209, 211, 212, 213, 106, 107, 108,
igr2= 143, 144, 691, 692,
&end
#
# 75 GLU HA 75 GLU HB- 2.80 (# 3335:20 Unique 2.40, 2.70 A)
&rst
ixpk= 3335, nxpk= 20, iat= 797, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 799, 800,
&end
#
# 75 GLU HA 75 GLU HG- 3.50 (# 3338:20 Unique 2.36, 3.10 A)
&rst
ixpk= 3338, nxpk= 20, iat= 797, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 802, 803,
&end
#
# 78 LEU HN 78 LEU HA 6.00 (# 3339:20 Unique 2.97, 2.99 A)
&rst
ixpk= 3339, nxpk= 20, iat= 846, 848, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 79 VAL HN 78 LEU HA 3.50 (# 3340:20 Unique 2.13, 2.18 A)
&rst
ixpk= 3340, nxpk= 20, iat= 865, 848, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 78 LEU HB- 78 LEU HA 6.00 (# 3343:20 Unique 2.42, 2.76 A)
&rst
ixpk= 3343, nxpk= 20, iat= -1, 848, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 850, 851,
&end
#
# 0 AMB 20-2:3344 78 LEU HA 4.50 (# 3344:20 Single Ambig)
&rst
ixpk= 3344, nxpk= 20, iat= -1, 848, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1= 850, 851, 853,
&end
#
# 78 LEU MDY 78 LEU HA 3.50 (# 3345:20 Unique 2.23, 3.89 A)
&rst
ixpk= 3345, nxpk= 20, iat= -1, 848, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 78 LEU HN 72 ILE HG1- 8.00 (# 3346:20 Unique 2.43, 3.39 A)
&rst
ixpk= 3346, nxpk= 20, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 757, 758,
&end
#
# 79 VAL HA 79 VAL HB 8.00 (# 3347:20 Unique 3.03, 3.04 A)
&rst
ixpk= 3347, nxpk= 20, iat= 867, 869, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 20-2:3348 79 VAL HB 8.00 (# 3348:20 Single Ambig)
&rst
ixpk= 3348, nxpk= 20, iat= -1, 869, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1=1282,1283,1284,1286,1287,1288,1282,1283,1284,1286,
1287,1288,
&end
#
# 113 LYS HN 79 VAL MGX 8.00 (# 3349:20 Unique 3.28, 6.25 A)
&rst
ixpk= 3349, nxpk= 20, iat=1436, -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 79 VAL HA 79 VAL MGX 4.50 (# 3351:20 Unique 2.52, 3.18 A)
&rst
ixpk= 3351, nxpk= 20, iat= 867, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 0 AMB 20-2:3352 0 AMB 20-1:3352 2.80 (# 3352:20 Double Ambig)
&rst
ixpk= 3352, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 865,1477,
igr2= 855, 856, 857, 859, 860, 861, 871, 872, 873, 875,
876, 877,
&end
#
# 79 VAL HA 69 VAL MGX 3.50 (# 3353:20 Unique 2.16, 3.81 A)
&rst
ixpk= 3353, nxpk= 20, iat= 867, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 705, 706, 707, 709, 710, 711,
&end
#
# 0 AMB 20-2:3355 0 AMB 20-1:3355 2.80 (# 3355:20 Double Ambig)
&rst
ixpk= 3355, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 869, 221, 222,1840,1841,
igr2= 871, 872, 873, 875, 876, 877, 238, 239, 240, 242,
243, 244,1866,1867,1868,1870,1871,1872,
&end
#
# 80 ILE HN 80 ILE HA 4.50 (# 3356:20 Unique 3.00, 3.01 A)
&rst
ixpk= 3356, nxpk= 20, iat= 881, 883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 81 ILE HN 81 ILE HG1+ 8.00 (# 3357:20 Unique 2.50, 3.50 A)
&rst
ixpk= 3357, nxpk= 20, iat= 900, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 910, 911,
&end
#
# 81 ILE HN 81 ILE HG1- 8.00 (# 3358:20 Unique 2.50, 3.50 A)
&rst
ixpk= 3358, nxpk= 20, iat= 900, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 910, 911,
&end
#
# 0 AMB 20-2:3359 0 AMB 20-1:3359 2.80 (# 3359:20 Double Ambig)
&rst
ixpk= 3359, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1= 871, 872, 873, 875, 876, 877,1688,1689,1690, 894,
895, 896,1467,1468,1469,1471,1472,1473,1767,1768,
1769, 855, 856, 857, 859, 860, 861,
igr2= 910, 911,1542,1543, 891, 892, 910, 911, 891, 892,
&end
#
# 0 AMB 20-2:3364 82 ARG HB- 6.00 (# 3364:20 Single Ambig)
&rst
ixpk= 3364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1= 929, 930, 929, 930,
igr2= 923, 924,
&end
#
# 82 ARG HA 82 ARG HB+ 6.00 (# 3365:20 Unique 2.33, 2.68 A)
&rst
ixpk= 3365, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 923, 924,
&end
#
# 82 ARG HA 82 ARG HB- 8.00 (# 3366:20 Unique 2.33, 2.68 A)
&rst
ixpk= 3366, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 923, 924,
&end
#
# 85 PRO HD- 84 THR MG2 8.00 (# 3368:20 Unique 2.13, 4.18 A)
&rst
ixpk= 3368, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1= 978, 979,
igr2= 969, 970, 971,
&end
#
# 93 ALA HN 87 VAL MGY 6.00 (# 3369:20 Unique 3.62, 6.86 A)
&rst
ixpk= 3369, nxpk= 20, iat=1093, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 93 ALA HA 93 ALA MB 2.80 (# 3371:20 Unique 2.42, 2.67 A)
&rst
ixpk= 3371, nxpk= 20, iat=1095, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1097,1098,1099,
&end
#
# 118 ILE QG2 93 ALA MB 6.00 (# 3372:20 Unique 2.72, 5.88 A)
&rst
ixpk= 3372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
igr1=1538,1539,1540,
igr2=1097,1098,1099,
&end
#
# 95 LEU HA 0 AMB 20-1:3374 2.80 (# 3374:20 Single Ambig)
&rst
ixpk= 3374, nxpk= 20, iat=1119, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr2=1126,1127,1128,1130,1131,1132,1171,1172,1173,1175,
1176,1177,
&end
#
# 148 LEU HB- 148 LEU MDX 2.80 (# 3375:20 Preassigned 2.35, 3.33 A)
&rst
ixpk= 3375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1984,1985,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 96 ILE QG2 96 ILE HG1+ 6.00 (# 3376:20 Unique 2.39, 3.49 A)
&rst
ixpk= 3376, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1142,1143,1144,
igr2=1146,1147,
&end
#
# 96 ILE HA 96 ILE HG1+ 6.00 (# 3378:20 Unique 2.53, 2.68 A)
&rst
ixpk= 3378, nxpk= 20, iat=1138, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1146,1147,
&end
#
# 99 CYS HA 99 CYS HB- 8.00 (# 3380:20 Unique 2.38, 2.77 A)
&rst
ixpk= 3380, nxpk= 20, iat=1183, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1185,1186,
&end
#
# 100 LEU HB+ 100 LEU HG 4.50 (# 3382:20 Unique 2.23, 2.68 A)
&rst
ixpk= 3382, nxpk= 20, iat= -1,1199, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1196,1197,
&end
#
# 0 AMB 20-2:3383 100 LEU HG 6.00 (# 3383:20 Single Ambig)
&rst
ixpk= 3383, nxpk= 20, iat= -1,1199, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1=1194,1157,1158,
&end
#
# 0 AMB 20-2:3384 101 ARG HA 4.50 (# 3384:20 Single Ambig)
&rst
ixpk= 3384, nxpk= 20, iat= -1,1213, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1211,1273,
&end
#
# 102 VAL HN 101 ARG HA 8.00 (# 3385:20 Unique 3.58, 3.61 A)
&rst
ixpk= 3385, nxpk= 20, iat=1235,1213, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 101 ARG HG+ 101 ARG HA 4.50 (# 3386:20 Unique 2.30, 2.85 A)
&rst
ixpk= 3386, nxpk= 20, iat= -1,1213, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1218,1219,
&end
#
# 0 AMB 20-2:3387 101 ARG HA 3.50 (# 3387:20 Single Ambig)
&rst
ixpk= 3387, nxpk= 20, iat= -1,1213, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1215,1216,1215,1216,
&end
#
# 116 ILE HB 101 ARG HA 6.00 (# 3388:20 Unique 5.05, 5.65 A)
&rst
ixpk= 3388, nxpk= 20, iat=1496,1213, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:3389 101 ARG HA 3.50 (# 3389:20 Single Ambig)
&rst
ixpk= 3389, nxpk= 20, iat= -1,1213, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1465,1498,1499,1500,
&end
#
# 102 VAL HB 102 VAL MGX 2.80 (# 3390:20 Unique 2.42, 2.67 A)
&rst
ixpk= 3390, nxpk= 20, iat=1239, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1241,1242,1243,1245,1246,1247,
&end
#
# 0 AMB 20-2:3391 102 VAL MGX 4.50 (# 3391:20 Single Ambig)
&rst
ixpk= 3391, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1316,1317,1218,1219,
igr2=1241,1242,1243,1245,1246,1247,
&end
#
# 0 AMB 20-2:3393 102 VAL MGY 2.80 (# 3393:20 Single Ambig)
&rst
ixpk= 3393, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
igr1=2063,2064,2065,2067,2068,2069,1171,1172,1173,1175,
1176,1177,1866,1867,1868,1870,1871,1872,
igr2=1241,1242,1243,1245,1246,1247,
&end
#
# 111 LYS HN 0 AMB 20-1:3394 8.00 (# 3394:20 Single Ambig)
&rst
ixpk= 3394, nxpk= 20, iat=1397, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr2=1407,1408,1407,1408,
&end
#
# 108 LEU HB+ 104 LEU HA 8.00 (# 3399:20 Unique 2.33, 4.31 A)
&rst
ixpk= 3399, nxpk= 20, iat= -1,1275, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1348,1349,
&end
#
# 0 AMB 20-2:3400 0 AMB 20-1:3400 4.50 (# 3400:20 Double Ambig)
&rst
ixpk= 3400, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=1277,1278, 497, 498, 499,
igr2=1280, 383, 384,
&end
#
# 105 GLN HN 105 GLN HG- 6.00 (# 3402:20 Unique 4.29, 4.45 A)
&rst
ixpk= 3402, nxpk= 20, iat=1292, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1299,1300,
&end
#
# 108 LEU HB+ 108 LEU HA 8.00 (# 3404:20 Unique 2.17, 2.77 A)
&rst
ixpk= 3404, nxpk= 20, iat= -1,1346, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1348,1349,
&end
#
# 0 AMB 20-2:3406 0 AMB 20-1:3406 2.80 (# 3406:20 Double Ambig)
&rst
ixpk= 3406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 448, 449,1404,1405,1443,1444,
igr2= 454, 455,1410,1411,1449,1450,
&end
#
# 113 LYS HN 113 LYS HG+ 8.00 (# 3407:20 Unique 2.24, 3.97 A)
&rst
ixpk= 3407, nxpk= 20, iat=1436, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1443,1444,
&end
#
# 72 ILE QD1 113 LYS HG- 6.00 (# 3410:20 Unique 2.69, 5.03 A)
&rst
ixpk= 3410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 760, 761, 762,
igr2=1443,1444,
&end
#
# 72 ILE QD1 113 LYS HG+ 4.50 (# 3411:20 Unique 2.69, 5.03 A)
&rst
ixpk= 3411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 760, 761, 762,
igr2=1443,1444,
&end
#
# 114 LEU MDY 114 LEU HA 6.00 (# 3412:20 Unique 2.20, 3.69 A)
&rst
ixpk= 3412, nxpk= 20, iat= -1,1460, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1467,1468,1469,1471,1472,1473,
&end
#
# 114 LEU HN 114 LEU HG 6.00 (# 3413:20 Unique 3.86, 4.36 A)
&rst
ixpk= 3413, nxpk= 20, iat=1458,1465, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 27 MET HG+ 27 MET HB- 6.00 (# 3417:20 Unique 2.32, 2.67 A)
&rst
ixpk= 3417, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 0 AMB 20-2:3418 0 AMB 20-1:3418 2.80 (# 3418:20 Double Ambig)
&rst
ixpk= 3418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1715,1737,
igr2=1719,1720,1719,1720,
&end
#
# 0 AMB 20-2:3419 131 LYS HB- 2.80 (# 3419:20 Single Ambig)
&rst
ixpk= 3419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1715,1737,
igr2=1719,1720,
&end
#
# 116 ILE HN 116 ILE HA 4.50 (# 3420:20 Unique 2.94, 2.98 A)
&rst
ixpk= 3420, nxpk= 20, iat=1492,1494, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 116 ILE QD1 116 ILE HA 4.50 (# 3421:20 Unique 2.41, 4.66 A)
&rst
ixpk= 3421, nxpk= 20, iat= -1,1494, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1505,1506,1507,
&end
#
# 116 ILE QG2 116 ILE HA 3.50 (# 3422:20 Unique 2.22, 3.08 A)
&rst
ixpk= 3422, nxpk= 20, iat= -1,1494, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1498,1499,1500,
&end
#
# 116 ILE QG2 116 ILE HB 2.80 (# 3423:20 Unique 2.26, 2.65 A)
&rst
ixpk= 3423, nxpk= 20, iat= -1,1496, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1498,1499,1500,
&end
#
# 118 ILE HG1+ 118 ILE HA 6.00 (# 3424:20 Unique 2.29, 2.95 A)
&rst
ixpk= 3424, nxpk= 20, iat= -1,1534, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1542,1543,
&end
#
# 119 SER HA 0 AMB 20-1:3428 3.50 (# 3428:20 Single Ambig)
&rst
ixpk= 3428, nxpk= 20, iat=1553, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1555,1556,1555,1556,
&end
#
# 119 SER HN 0 AMB 20-1:3429 4.50 (# 3429:20 Single Ambig)
&rst
ixpk= 3429, nxpk= 20, iat=1551, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr2=1555,1556,1555,1556,
&end
#
# 122 THR HN 122 THR MG2 8.00 (# 3433:20 Unique 2.08, 3.54 A)
&rst
ixpk= 3433, nxpk= 20, iat=1584, -1, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr2=1590,1591,1592,
&end
#
# 130 ASN HD2- 126 GLU HB+ 4.50 (# 3434:20 Unique 2.68, 4.97 A)
&rst
ixpk= 3434, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1710,1711,
igr2=1644,1645,
&end
#
# 0 AMB 20-2:3435 0 AMB 20-1:3435 3.50 (# 3435:20 Double Ambig)
&rst
ixpk= 3435, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1655,1860,
igr2=1644,1645,1840,1841,
&end
#
# 130 ASN HD2- 130 ASN HB+ 8.00 (# 3438:20 Unique 2.15, 3.29 A)
&rst
ixpk= 3438, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=1710,1711,
igr2=1705,1706,
&end
#
# 130 ASN HA 130 ASN HB- 4.50 (# 3439:20 Unique 2.21, 2.70 A)
&rst
ixpk= 3439, nxpk= 20, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1705,1706,
&end
#
# 134 ASN HA 134 ASN HB+ 4.50 (# 3440:20 Unique 2.41, 2.77 A)
&rst
ixpk= 3440, nxpk= 20, iat=1775, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1777,1778,
&end
#
# 134 ASN HA 134 ASN HB- 6.00 (# 3441:20 Unique 2.41, 2.77 A)
&rst
ixpk= 3441, nxpk= 20, iat=1775, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1777,1778,
&end
#
# 138 ARG HD+ 138 ARG HB+ 6.00 (# 3442:20 Unique 2.40, 3.41 A)
&rst
ixpk= 3442, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1846,1847,
igr2=1840,1841,
&end
#
# 138 ARG HA 138 ARG HD+ 4.50 (# 3443:20 Unique 2.15, 3.08 A)
&rst
ixpk= 3443, nxpk= 20, iat=1838, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1846,1847,
&end
#
# 138 ARG HA 138 ARG HD- 4.50 (# 3444:20 Unique 2.15, 3.08 A)
&rst
ixpk= 3444, nxpk= 20, iat=1838, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1846,1847,
&end
#
# 145 ASN HN 145 ASN HA 4.50 (# 3446:20 Unique 2.80, 2.84 A)
&rst
ixpk= 3446, nxpk= 20, iat=1938,1940, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 146 PRO HD+ 145 ASN HA 2.80 (# 3447:20 Unique 2.07, 2.36 A)
&rst
ixpk= 3447, nxpk= 20, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1953,1954,
&end
#
# 146 PRO HD- 145 ASN HA 3.50 (# 3448:20 Unique 2.07, 2.36 A)
&rst
ixpk= 3448, nxpk= 20, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1953,1954,
&end
#
# 145 ASN HB+ 145 ASN HA 4.50 (# 3449:20 Unique 2.42, 2.74 A)
&rst
ixpk= 3449, nxpk= 20, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1942,1943,
&end
#
# 145 ASN HB- 145 ASN HA 4.50 (# 3450:20 Unique 2.42, 2.74 A)
&rst
ixpk= 3450, nxpk= 20, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1942,1943,
&end
#
# 0 AMB 20-2:3451 145 ASN HA 4.50 (# 3451:20 Single Ambig)
&rst
ixpk= 3451, nxpk= 20, iat= -1,1940, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1=1956,1957,1956,1957,2003,2004,
&end
#
# 145 ASN HN 145 ASN HB- 4.50 (# 3453:20 Unique 2.28, 2.51 A)
&rst
ixpk= 3453, nxpk= 20, iat=1938, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1942,1943,
&end
#
# 149 ARG HN 149 ARG HB+ 3.50 (# 3454:20 Preassigned 2.27, 2.54 A)
&rst
ixpk= 3454, nxpk= 20, iat=1999, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2003,2004,
&end
#
# 0 AMB 20-2:3455 151 ILE HG1- 2.80 (# 3455:20 Single Ambig)
&rst
ixpk= 3455, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2042,2027,2028,
igr2=2048,2049,
&end
#
# 153 GLU HN 153 GLU HB- 8.00 (# 3456:20 Unique 2.34, 2.99 A)
&rst
ixpk= 3456, nxpk= 20, iat=2073, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=2077,2078,
&end
#
# 0 AMB 20-2:3457 0 AMB 20-1:3457 2.80 (# 3457:20 Double Ambig)
&rst
ixpk= 3457, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=2077,2078,2077,2078,
igr2=2080,2081,2080,2081,
&end
#
# 154 GLN HG- 154 GLN HB+ 2.80 (# 3458:20 Unique 2.31, 2.74 A)
&rst
ixpk= 3458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2095,2096,
igr2=2092,2093,
&end
#
# 154 GLN HG- 154 GLN HB- 2.80 (# 3459:20 Unique 2.31, 2.74 A)
&rst
ixpk= 3459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2095,2096,
igr2=2092,2093,
&end
#
# 157 LEU HA 157 LEU HB- 2.80 (# 3463:20 Unique 2.17, 2.73 A)
&rst
ixpk= 3463, nxpk= 20, iat=2134, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2136,2137,
&end
#
# 157 LEU HB+ 157 LEU HG 2.80 (# 3464:20 Unique 2.48, 2.79 A)
&rst
ixpk= 3464, nxpk= 20, iat= -1,2139, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2136,2137,
&end
#
# 157 LEU HG 157 LEU MDY 2.80 (# 3465:20 Unique 2.37, 2.68 A)
&rst
ixpk= 3465, nxpk= 20, iat=2139, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=2141,2142,2143,2145,2146,2147,
&end
#
# 0 AMB 20-2:3466 158 GLU HB- 4.50 (# 3466:20 Single Ambig)
&rst
ixpk= 3466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 345,2134,
igr2=2155,2156,
&end
#
# 158 GLU HB- 158 GLU HG- 2.80 (# 3467:20 Unique 2.26, 2.71 A)
&rst
ixpk= 3467, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2155,2156,
igr2=2158,2159,
&end
#
# 0 AMB 20-2:3472 0 AMB 20-1:3472 2.80 (# 3472:20 Double Ambig)
&rst
ixpk= 3472, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1801,1253,
igr2=1803,1804,1313,1314,1313,1314,
&end
#
# 160 ASP HN 159 PRO HB- 4.50 (# 3473:20 Unique 2.33, 3.22 A)
&rst
ixpk= 3473, nxpk= 20, iat=2180, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2173,2174,
&end
#
# 161 GLN HE2- 0 AMB 20-1:3474 6.00 (# 3474:20 Single Ambig)
&rst
ixpk= 3474, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=2204,2205,
igr2=2199,2200,2199,2200,
&end
#
# 98 LEU HN 98 LEU HB- 4.50 (# 3477:20 Unique 2.14, 2.82 A)
&rst
ixpk= 3477, nxpk= 20, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1166,1167,
&end
#
# 43 LEU MDY 43 LEU HA 2.80 (# 3478:20 Unique 2.12, 3.35 A)
&rst
ixpk= 3478, nxpk= 20, iat= -1, 283, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 290, 291, 292, 294, 295, 296,
&end
#
# 27 MET HA 27 MET HB+ 3.50 (# 3479:20 Unique 2.40, 2.76 A)
&rst
ixpk= 3479, nxpk= 20, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 8, 9,
&end
#
# 133 ILE HA 133 ILE HB 3.50 (# 3480:20 Unique 2.35, 2.38 A)
&rst
ixpk= 3480, nxpk= 20, iat=1756,1758, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 103 LYS HE+ 103 LYS HG+ 6.00 (# 3482:20 Unique 2.34, 2.92 A)
&rst
ixpk= 3482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1264,1265,
igr2=1258,1259,
&end
#
# 103 LYS HA 103 LYS HG+ 6.00 (# 3483:20 Unique 2.29, 3.04 A)
&rst
ixpk= 3483, nxpk= 20, iat=1253, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1258,1259,
&end
#
# 149 ARG HD+ 149 ARG HA 6.00 (# 3484:20 Unique 4.12, 4.57 A)
&rst
ixpk= 3484, nxpk= 20, iat= -1,2001, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=2009,2010,
&end
#
# 143 MET HG+ 143 MET HB+ 4.50 (# 3491:20 Unique 2.25, 2.61 A)
&rst
ixpk= 3491, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1913,1914,
igr2=1910,1911,
&end
#
# 143 MET HG+ 143 MET HB- 4.50 (# 3492:20 Unique 2.25, 2.61 A)
&rst
ixpk= 3492, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1913,1914,
igr2=1910,1911,
&end
#
# 36 LYS HB+ 36 LYS HG+ 4.50 (# 3493:20 Unique 2.26, 2.62 A)
&rst
ixpk= 3493, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 170, 171,
igr2= 173, 174,
&end
#
# 33 MET HA 33 MET HB- 6.00 (# 3495:20 Unique 2.26, 2.71 A)
&rst
ixpk= 3495, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 123, 124,
&end
#
# 33 MET HA 33 MET HB+ 4.50 (# 3496:20 Unique 2.26, 2.71 A)
&rst
ixpk= 3496, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 123, 124,
&end
#
# 69 VAL MGX 33 MET HB+ 4.50 (# 3497:20 Unique 2.26, 4.57 A)
&rst
ixpk= 3497, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 705, 706, 707, 709, 710, 711,
igr2= 123, 124,
&end
#
# 33 MET HA 33 MET HG- 6.00 (# 3498:20 Unique 2.46, 3.35 A)
&rst
ixpk= 3498, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 126, 127,
&end
#
# 27 MET HG+ 27 MET ME 6.00 (# 3499:20 Unique 2.55, 3.38 A)
&rst
ixpk= 3499, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1= 11, 12,
igr2= 15, 16, 17,
&end
#
# 0 AMB 20-2:3504 0 AMB 20-1:3504 4.50 (# 3504:20 Double Ambig)
&rst
ixpk= 3504, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 825, 766,
igr2= 817, 818, 739, 740,
&end
#
# 71 GLU HN 71 GLU HG- 8.00 (# 3505:20 Unique 2.04, 4.20 A)
&rst
ixpk= 3505, nxpk= 20, iat= 732, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 739, 740,
&end
#
# 52 LYS HN 52 LYS HG+ 8.00 (# 3509:20 Unique 2.20, 3.25 A)
&rst
ixpk= 3509, nxpk= 20, iat= 441, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 448, 449,
&end
#
# 52 LYS HD+ 52 LYS HG+ 2.80 (# 3510:20 Unique 2.38, 2.73 A)
&rst
ixpk= 3510, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 451, 452,
igr2= 448, 449,
&end
#
# 87 VAL HA 85 PRO HG+ 6.00 (# 3511:20 Preassigned 3.73, 5.29 A)
&rst
ixpk= 3511, nxpk= 20, iat=1007, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 981, 982,
&end
#
# 0 AMB 20-2:3512 50 PRO HD- 4.50 (# 3512:20 Single Ambig)
&rst
ixpk= 3512, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1146,1147, 419, 420,1081,
igr2= 413, 414,
&end
#
# 61 VAL HN 56 LEU HA 6.00 (# 3513:20 Unique 3.36, 3.56 A)
&rst
ixpk= 3513, nxpk= 20, iat= 588, 507, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:3514 56 LEU HA 4.50 (# 3514:20 Single Ambig)
&rst
ixpk= 3514, nxpk= 20, iat= -1, 507, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 594, 595, 596, 598, 599, 600, 509, 510,
&end
#
# 0 AMB 20-2:3517 0 AMB 20-1:3517 4.50 (# 3517:20 Double Ambig)
&rst
ixpk= 3517, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1=1787,2100,2101, 554,
igr2=1739,2025, 541,
&end
#
# 59 LEU HN 60 GLU HA 6.00 (# 3518:20 Unique 4.75, 4.89 A)
&rst
ixpk= 3518, nxpk= 20, iat= 554, 575, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 84 THR HA 85 PRO HD+ 4.50 (# 3522:20 Unique 2.17, 2.40 A)
&rst
ixpk= 3522, nxpk= 20, iat= 965, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 978, 979,
&end
#
# 108 LEU MDX 109 PRO HD+ 6.00 (# 3524:20 Unique 2.20, 5.33 A)
&rst
ixpk= 3524, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1353,1354,1355,1357,1358,1359,
igr2=1364,1365,
&end
#
# 0 AMB 20-2:3526 0 AMB 20-1:3526 3.50 (# 3526:20 Double Ambig)
&rst
ixpk= 3526, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1367,1368,1959,1960,
igr2=1364,1365,1953,1954,
&end
#
# 109 PRO HG+ 109 PRO HD+ 3.50 (# 3527:20 Unique 2.32, 2.61 A)
&rst
ixpk= 3527, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1367,1368,
igr2=1364,1365,
&end
#
# 108 LEU HA 109 PRO HD+ 2.80 (# 3528:20 Unique 1.99, 2.44 A)
&rst
ixpk= 3528, nxpk= 20, iat=1346, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1364,1365,
&end
#
# 29 GLN HA 30 PRO HD+ 2.80 (# 3530:20 Unique 2.08, 2.43 A)
&rst
ixpk= 3530, nxpk= 20, iat= 47, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 63, 64,
&end
#
# 103 LYS HE- 103 LYS HG- 8.00 (# 3531:20 Unique 2.34, 2.92 A)
&rst
ixpk= 3531, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=1264,1265,
igr2=1258,1259,
&end
#
# 103 LYS HE+ 103 LYS HD+ 4.50 (# 3535:20 Unique 2.33, 2.73 A)
&rst
ixpk= 3535, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1264,1265,
igr2=1261,1262,
&end
#
# 0 AMB 20-2:3538 113 LYS HE- 4.50 (# 3538:20 Single Ambig)
&rst
ixpk= 3538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1443,1444, 850, 851,
igr2=1449,1450,
&end
#
# 0 AMB 20-2:3539 113 LYS HE- 3.50 (# 3539:20 Single Ambig)
&rst
ixpk= 3539, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 855, 856, 857, 859, 860, 861, 855, 856, 857, 859,
860, 861,
igr2=1449,1450,
&end
#
# 132 GLN HE2+ 132 GLN HG- 8.00 (# 3540:20 Unique 2.27, 3.33 A)
&rst
ixpk= 3540, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=1749,1750,
igr2=1744,1745,
&end
#
# 30 PRO HD- 30 PRO HB+ 6.00 (# 3541:20 Unique 2.82, 3.68 A)
&rst
ixpk= 3541, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 63, 64,
igr2= 69, 70,
&end
#
# 0 AMB 20-2:3542 0 AMB 20-1:3542 4.50 (# 3542:20 Double Ambig)
&rst
ixpk= 3542, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
igr1=2167,2168,2167,2168, 63, 64,
igr2=2173,2174,2173,2174, 69, 70,
&end
#
# 30 PRO HD- 30 PRO HA 8.00 (# 3544:20 Unique 3.51, 3.82 A)
&rst
ixpk= 3544, nxpk= 20, iat= -1, 72, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 63, 64,
&end
#
# 0 AMB 20-2:3545 0 AMB 20-1:3545 8.00 (# 3545:20 Double Ambig)
&rst
ixpk= 3545, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=14.54, r4=15.29,
igr1=1022,1023,1022,1023, 978, 979,
igr2=1028,1029,1028,1029,1028,1029,
&end
#
# 82 ARG HA 0 AMB 20-1:3547 8.00 (# 3547:20 Single Ambig)
&rst
ixpk= 3547, nxpk= 20, iat= 921, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr2= 929, 930, 929, 930,
&end
#
# 0 AMB 20-2:3548 0 AMB 20-1:3548 2.80 (# 3548:20 Double Ambig)
&rst
ixpk= 3548, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1= 83, 84, 926, 927, 926, 927, 923, 924, 923, 924,
igr2= 86, 87, 929, 930, 929, 930, 929, 930,
&end
#
# 35 GLU HA 35 GLU HG- 2.80 (# 3550:20 Unique 2.49, 2.89 A)
&rst
ixpk= 3550, nxpk= 20, iat= 153, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 158, 159,
&end
#
# 35 GLU HA 35 GLU HB- 2.80 (# 3552:20 Unique 2.28, 2.70 A)
&rst
ixpk= 3552, nxpk= 20, iat= 153, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 155, 156,
&end
#
# 57 GLU HA 57 GLU HB+ 3.50 (# 3554:20 Unique 2.33, 2.68 A)
&rst
ixpk= 3554, nxpk= 20, iat= 526, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 528, 529,
&end
#
# 0 AMB 20-2:3556 0 AMB 20-1:3556 2.80 (# 3556:20 Double Ambig)
&rst
ixpk= 3556, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 797,1564,1657,
igr2= 802, 803,1569,1570,1569,1570,1662,1663,1647,1648,
&end
#
# 60 GLU HA 60 GLU HB- 4.50 (# 3557:20 Unique 2.42, 2.74 A)
&rst
ixpk= 3557, nxpk= 20, iat= 575, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 577, 578,
&end
#
# 77 TYR HB- 77 TYR HA 6.00 (# 3558:20 Unique 2.31, 2.68 A)
&rst
ixpk= 3558, nxpk= 20, iat= -1, 827, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 829, 830,
&end
#
# 117 TYR HD 133 ILE QD1 6.00 (# 3559:20 Unique 4.73, 7.26 A)
&rst
ixpk= 3559, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1519,1528,
igr2=1767,1768,1769,
&end
#
# 71 GLU HA 33 MET ME 4.50 (# 3561:20 Unique 2.35, 4.93 A)
&rst
ixpk= 3561, nxpk= 20, iat= 734, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 130, 131, 132,
&end
#
# 41 TYR HB+ 41 TYR HA 4.50 (# 3563:20 Unique 2.27, 2.71 A)
&rst
ixpk= 3563, nxpk= 20, iat= -1, 250, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 252, 253,
&end
#
# 38 LEU MDY 38 LEU HG 2.80 (# 3564:20 Unique 2.44, 2.66 A)
&rst
ixpk= 3564, nxpk= 20, iat= -1, 205, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 207, 208, 209, 211, 212, 213,
&end
#
# 110 PHE HD 0 AMB 20-1:3565 6.00 (# 3565:20 Single Ambig)
&rst
ixpk= 3565, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1385,1393,
igr2=1423,1424,1423,1424,
&end
#
# 51 GLU HG- 51 GLU HA 3.50 (# 3566:20 Unique 2.37, 3.00 A)
&rst
ixpk= 3566, nxpk= 20, iat= -1, 428, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 433, 434,
&end
#
# 0 AMB 20-2:3567 102 VAL MGX 2.80 (# 3567:20 Single Ambig)
&rst
ixpk= 3567, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1917,1918,1919,1316,1317,
igr2=1241,1242,1243,1245,1246,1247,
&end
#
# 61 VAL MGY 61 VAL HA 3.50 (# 3568:20 Unique 2.35, 3.25 A)
&rst
ixpk= 3568, nxpk= 20, iat= -1, 590, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 594, 595, 596, 598, 599, 600,
&end
#
# 0 AMB 20-2:3569 104 LEU MDX 3.50 (# 3569:20 Single Ambig)
&rst
ixpk= 3569, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 238, 239, 240, 242, 243, 244, 310, 311,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 126 GLU HB+ 126 GLU HA 2.80 (# 3572:20 Unique 2.30, 2.45 A)
&rst
ixpk= 3572, nxpk= 20, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1644,1645,
&end
#
# 163 GLU HG+ 163 GLU HA 4.50 (# 3573:20 Unique 2.37, 2.96 A)
&rst
ixpk= 3573, nxpk= 20, iat= -1,2230, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2235,2236,
&end
#
# 138 ARG HG- 138 ARG HA 3.50 (# 3574:20 Unique 2.23, 3.33 A)
&rst
ixpk= 3574, nxpk= 20, iat= -1,1838, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1843,1844,
&end
#
# 74 GLU HA 0 AMB 20-1:3575 2.80 (# 3575:20 Single Ambig)
&rst
ixpk= 3575, nxpk= 20, iat= 782, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr2= 787, 788, 787, 788,
&end
#
# 115 GLU HN 115 GLU HB+ 8.00 (# 3576:20 Unique 2.49, 3.17 A)
&rst
ixpk= 3576, nxpk= 20, iat=1477, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2=1481,1482,
&end
#
# 115 GLU HA 115 GLU HB+ 6.00 (# 3577:20 Unique 2.44, 2.77 A)
&rst
ixpk= 3577, nxpk= 20, iat=1479, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1481,1482,
&end
#
# 115 GLU HA 115 GLU HB- 4.50 (# 3578:20 Unique 2.44, 2.77 A)
&rst
ixpk= 3578, nxpk= 20, iat=1479, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1481,1482,
&end
#
# 143 MET HB- 143 MET HA 3.50 (# 3579:20 Unique 2.46, 2.78 A)
&rst
ixpk= 3579, nxpk= 20, iat= -1,1908, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1910,1911,
&end
#
# 0 AMB 20-2:3580 0 AMB 20-1:3580 2.80 (# 3580:20 Double Ambig)
&rst
ixpk= 3580, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2025,1642,
igr2=2030,2031,1647,1648,1647,1648,
&end
#
# 158 GLU HB- 158 GLU HG+ 2.80 (# 3581:20 Preassigned 2.26, 2.71 A)
&rst
ixpk= 3581, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2155,2156,
igr2=2158,2159,
&end
#
# 0 AMB 20-2:3582 0 AMB 20-1:3582 2.80 (# 3582:20 Double Ambig)
&rst
ixpk= 3582, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1316,1317,1313,1314,1313,1314,1719,1720,
igr2=1311,1717,
&end
#
# 137 GLU HG+ 137 GLU HA 3.50 (# 3583:20 Unique 2.42, 2.92 A)
&rst
ixpk= 3583, nxpk= 20, iat= -1,1823, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1828,1829,
&end
#
# 150 GLU HA 150 GLU HB+ 2.80 (# 3584:20 Unique 2.44, 2.78 A)
&rst
ixpk= 3584, nxpk= 20, iat=2025, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2027,2028,
&end
#
# 153 GLU HB+ 153 GLU HA 2.80 (# 3585:20 Unique 2.37, 2.77 A)
&rst
ixpk= 3585, nxpk= 20, iat= -1,2075, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2077,2078,
&end
#
# 143 MET HG+ 143 MET ME 3.50 (# 3587:20 Unique 2.47, 3.63 A)
&rst
ixpk= 3587, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1913,1914,
igr2=1917,1918,1919,
&end
#
# 0 AMB 20-2:3589 59 LEU HG 2.80 (# 3589:20 Single Ambig)
&rst
ixpk= 3589, nxpk= 20, iat= -1, 561, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 558, 559, 445, 446,
&end
#
# 103 LYS HD- 103 LYS HE+ 4.50 (# 3590:20 Unique 2.33, 2.73 A)
&rst
ixpk= 3590, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1261,1262,
igr2=1264,1265,
&end
#
# 0 AMB 20-2:3591 38 LEU MDY 2.80 (# 3591:20 Single Ambig)
&rst
ixpk= 3591, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 638, 639, 205,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 38 LEU HB+ 38 LEU MDY 2.80 (# 3592:20 Unique 2.38, 3.31 A)
&rst
ixpk= 3592, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 202, 203,
igr2= 207, 208, 209, 211, 212, 213,
&end
#
# 44 ILE HN 104 LEU MDY 6.00 (# 3596:20 Unique 3.55, 5.51 A)
&rst
ixpk= 3596, nxpk= 20, iat= 300, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 56 LEU HN 56 LEU HG 8.00 (# 3597:20 Unique 2.25, 3.42 A)
&rst
ixpk= 3597, nxpk= 20, iat= 505, 512, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 104 LEU HB+ 104 LEU MDX 2.80 (# 3598:20 Unique 2.33, 3.30 A)
&rst
ixpk= 3598, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1277,1278,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 56 LEU HB- 56 LEU MDX 3.50 (# 3599:20 Unique 2.34, 3.35 A)
&rst
ixpk= 3599, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 509, 510,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 61 VAL MGX 56 LEU MDX 3.50 (# 3602:20 Unique 2.25, 5.22 A)
&rst
ixpk= 3602, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 594, 595, 596, 598, 599, 600,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 62 VAL MGX 56 LEU HA 8.00 (# 3603:20 Unique 4.15, 6.09 A)
&rst
ixpk= 3603, nxpk= 20, iat= -1, 507, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1= 610, 611, 612, 614, 615, 616,
&end
#
# 56 LEU MDX 56 LEU HB+ 4.50 (# 3604:20 Unique 2.34, 3.35 A)
&rst
ixpk= 3604, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 514, 515, 516, 518, 519, 520,
igr2= 509, 510,
&end
#
# 59 LEU HG 59 LEU HB+ 3.50 (# 3605:20 Unique 2.25, 2.43 A)
&rst
ixpk= 3605, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 558, 559,
&end
#
# 0 AMB 20-2:3606 59 LEU HB- 4.50 (# 3606:20 Single Ambig)
&rst
ixpk= 3606, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 563, 564, 565, 567, 568, 569, 514, 515, 516, 518,
519, 520,
igr2= 558, 559,
&end
#
# 59 LEU HB+ 59 LEU MDY 3.50 (# 3607:20 Unique 2.34, 3.55 A)
&rst
ixpk= 3607, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 558, 559,
igr2= 563, 564, 565, 567, 568, 569,
&end
#
# 70 GLN HG+ 78 LEU MDX 6.00 (# 3609:20 Unique 3.03, 7.16 A)
&rst
ixpk= 3609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 722, 723,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 31 ARG HB+ 31 ARG HA 3.50 (# 3611:20 Unique 2.33, 2.73 A)
&rst
ixpk= 3611, nxpk= 20, iat= -1, 78, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 80, 81,
&end
#
# 0 AMB 20-2:3612 0 AMB 20-1:3612 3.50 (# 3612:20 Double Ambig)
&rst
ixpk= 3612, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1124,1078,1079,
igr2=1121,1122,1121,1122,
&end
#
# 95 LEU HB- 95 LEU MDY 2.80 (# 3613:20 Unique 2.35, 3.35 A)
&rst
ixpk= 3613, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1121,1122,
igr2=1126,1127,1128,1130,1131,1132,
&end
#
# 0 AMB 20-2:3614 98 LEU HA 3.50 (# 3614:20 Single Ambig)
&rst
ixpk= 3614, nxpk= 20, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1166,1167,1758,
&end
#
# 162 LEU HG 162 LEU MDX 2.80 (# 3615:20 Preassigned 2.37, 2.65 A)
&rst
ixpk= 3615, nxpk= 20, iat=2216, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=2218,2219,2220,2222,2223,2224,
&end
#
# 0 AMB 20-2:3616 104 LEU MDY 4.50 (# 3616:20 Single Ambig)
&rst
ixpk= 3616, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
igr1= 238, 239, 240, 242, 243, 244, 310, 311,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 114 LEU HB- 114 LEU MDX 2.80 (# 3617:20 Unique 2.39, 3.45 A)
&rst
ixpk= 3617, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1462,1463,
igr2=1467,1468,1469,1471,1472,1473,
&end
#
# 0 AMB 20-2:3618 114 LEU MDX 2.80 (# 3618:20 Single Ambig)
&rst
ixpk= 3618, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1462,1463,1215,1216,1215,1216,
igr2=1467,1468,1469,1471,1472,1473,
&end
#
# 148 LEU HA 148 LEU MDX 2.80 (# 3619:20 Unique 2.18, 3.88 A)
&rst
ixpk= 3619, nxpk= 20, iat=1982, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 148 LEU HB+ 148 LEU MDX 2.80 (# 3620:20 Unique 2.35, 3.33 A)
&rst
ixpk= 3620, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1984,1985,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 148 LEU HB+ 148 LEU MDY 3.50 (# 3621:20 Preassigned 2.35, 3.33 A)
&rst
ixpk= 3621, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1984,1985,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 157 LEU HA 157 LEU MDX 2.80 (# 3622:20 Unique 2.11, 3.95 A)
&rst
ixpk= 3622, nxpk= 20, iat=2134, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=2141,2142,2143,2145,2146,2147,
&end
#
# 162 LEU MDY 162 LEU HA 2.80 (# 3623:20 Unique 2.26, 3.91 A)
&rst
ixpk= 3623, nxpk= 20, iat= -1,2211, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2218,2219,2220,2222,2223,2224,
&end
#
# 162 LEU HG 162 LEU HA 3.50 (# 3624:20 Unique 2.32, 3.11 A)
&rst
ixpk= 3624, nxpk= 20, iat=2216,2211, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 162 LEU MDX 162 LEU HG 2.80 (# 3625:20 Unique 2.37, 2.65 A)
&rst
ixpk= 3625, nxpk= 20, iat= -1,2216, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2218,2219,2220,2222,2223,2224,
&end
#
# 0 AMB 20-2:3626 98 LEU HB- 2.80 (# 3626:20 Single Ambig)
&rst
ixpk= 3626, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1171,1172,1173,1175,1176,1177,2063,2064,2065,2067,
2068,2069,1126,1127,1128,1130,1131,1132,
igr2=1166,1167,
&end
#
# 157 LEU MDX 157 LEU HB- 2.80 (# 3627:20 Preassigned 2.36, 3.29 A)
&rst
ixpk= 3627, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2141,2142,2143,2145,2146,2147,
igr2=2136,2137,
&end
#
# 0 AMB 20-2:3628 0 AMB 20-1:3628 2.80 (# 3628:20 Double Ambig)
&rst
ixpk= 3628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
igr1=1166,1167,2213,2214,
igr2=1171,1172,1173,1175,1176,1177,2218,2219,2220,2222,
2223,2224,1126,1127,1128,1130,1131,1132,
&end
#
# 162 LEU HN 162 LEU MDY 6.00 (# 3629:20 Unique 1.69, 4.37 A)
&rst
ixpk= 3629, nxpk= 20, iat=2209, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=2218,2219,2220,2222,2223,2224,
&end
#
# 148 LEU HG 148 LEU MDY 2.80 (# 3630:20 Unique 2.39, 2.66 A)
&rst
ixpk= 3630, nxpk= 20, iat=1987, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 0 AMB 20-2:3631 133 ILE HB 2.80 (# 3631:20 Single Ambig)
&rst
ixpk= 3631, nxpk= 20, iat= -1,1758, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1=1767,1768,1769,1171,1172,1173,1175,1176,1177,1171,
1172,1173,1175,1176,1177,
&end
#
# 133 ILE QG2 133 ILE HB 2.80 (# 3632:20 Unique 2.37, 2.65 A)
&rst
ixpk= 3632, nxpk= 20, iat= -1,1758, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1760,1761,1762,
&end
#
# 32 ILE QG2 32 ILE HG1- 2.80 (# 3633:20 Unique 2.23, 3.39 A)
&rst
ixpk= 3633, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 106, 107, 108,
igr2= 110, 111,
&end
#
# 0 AMB 20-2:3635 44 ILE HB 2.80 (# 3635:20 Single Ambig)
&rst
ixpk= 3635, nxpk= 20, iat= -1, 304, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 306, 307, 308, 610, 611, 612, 614, 615, 616,
&end
#
# 44 ILE HA 44 ILE QD1 4.50 (# 3637:20 Unique 4.11, 5.03 A)
&rst
ixpk= 3637, nxpk= 20, iat= 302, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 313, 314, 315,
&end
#
# 0 AMB 20-2:3638 44 ILE QG2 2.80 (# 3638:20 Single Ambig)
&rst
ixpk= 3638, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1255,1256,1255,1256,
igr2= 306, 307, 308,
&end
#
# 72 ILE HA 72 ILE QG2 2.80 (# 3639:20 Unique 2.51, 3.16 A)
&rst
ixpk= 3639, nxpk= 20, iat= 749, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2= 753, 754, 755,
&end
#
# 47 ILE HA 47 ILE QD1 4.50 (# 3641:20 Unique 4.46, 4.68 A)
&rst
ixpk= 3641, nxpk= 20, iat= 359, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 370, 371, 372,
&end
#
# 72 ILE QG2 72 ILE HG1- 2.80 (# 3642:20 Unique 2.44, 3.53 A)
&rst
ixpk= 3642, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 753, 754, 755,
igr2= 757, 758,
&end
#
# 0 AMB 20-2:3643 72 ILE QD1 2.80 (# 3643:20 Single Ambig)
&rst
ixpk= 3643, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 814, 815,1440,1441,
igr2= 760, 761, 762,
&end
#
# 80 ILE HG1+ 80 ILE QD1 2.80 (# 3644:20 Unique 2.35, 2.65 A)
&rst
ixpk= 3644, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 891, 892,
igr2= 894, 895, 896,
&end
#
# 0 AMB 20-2:3646 80 ILE HA 4.50 (# 3646:20 Single Ambig)
&rst
ixpk= 3646, nxpk= 20, iat= -1, 883, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 891, 892, 910, 911,
&end
#
# 0 AMB 20-2:3647 96 ILE HA 4.50 (# 3647:20 Single Ambig)
&rst
ixpk= 3647, nxpk= 20, iat= -1,1138, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1=1149,1150,1151,1126,1127,1128,1130,1131,1132,
&end
#
# 96 ILE HG1+ 96 ILE QG2 2.80 (# 3649:20 Unique 2.39, 3.49 A)
&rst
ixpk= 3649, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1146,1147,
igr2=1142,1143,1144,
&end
#
# 116 ILE HN 116 ILE QD1 8.00 (# 3651:20 Unique 3.06, 4.93 A)
&rst
ixpk= 3651, nxpk= 20, iat=1492, -1, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr2=1505,1506,1507,
&end
#
# 0 AMB 20-2:3653 0 AMB 20-1:3653 4.50 (# 3653:20 Double Ambig)
&rst
ixpk= 3653, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1536,1097,1098,1099,
igr2=1542,1543,1542,1543,
&end
#
# 129 ILE HB 129 ILE QG2 2.80 (# 3655:20 Preassigned 2.41, 2.68 A)
&rst
ixpk= 3655, nxpk= 20, iat=1686, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1688,1689,1690,
&end
#
# 0 AMB 20-2:3656 151 ILE HA 4.50 (# 3656:20 Single Ambig)
&rst
ixpk= 3656, nxpk= 20, iat= -1,2040, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
igr1=2051,2052,2053,1126,1127,1128,1130,1131,1132,2063,
2064,2065,2067,2068,2069,
&end
#
# 151 ILE QG2 151 ILE HB 2.80 (# 3657:20 Unique 2.43, 2.68 A)
&rst
ixpk= 3657, nxpk= 20, iat= -1,2042, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2044,2045,2046,
&end
#
# 151 ILE HB 151 ILE QG2 2.80 (# 3658:20 Unique 2.43, 2.68 A)
&rst
ixpk= 3658, nxpk= 20, iat=2042, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=2044,2045,2046,
&end
#
# 151 ILE HG1+ 151 ILE QG2 2.80 (# 3659:20 Unique 2.49, 3.47 A)
&rst
ixpk= 3659, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2048,2049,
igr2=2044,2045,2046,
&end
#
# 27 MET HG+ 27 MET HA 8.00 (# 3661:20 Unique 2.42, 3.17 A)
&rst
ixpk= 3661, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 11, 12,
&end
#
# 0 AMB 20-2:3662 62 VAL HB 8.00 (# 3662:20 Single Ambig)
&rst
ixpk= 3662, nxpk= 20, iat= -1, 608, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr1= 604, 256, 265,
&end
#
# 0 AMB 20-2:3663 30 PRO HA 4.50 (# 3663:20 Single Ambig)
&rst
ixpk= 3663, nxpk= 20, iat= -1, 72, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 66, 67, 736, 737,
&end
#
# 0 AMB 20-2:3664 0 AMB 20-1:3664 2.80 (# 3664:20 Double Ambig)
&rst
ixpk= 3664, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 66, 67,2170,2171,2170,2171,
igr2= 63, 64,2167,2168,2167,2168,
&end
#
# 0 AMB 20-2:3665 50 PRO HD- 2.80 (# 3665:20 Single Ambig)
&rst
ixpk= 3665, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 416, 417, 416, 417,
igr2= 413, 414,
&end
#
# 30 PRO HG- 30 PRO HD- 2.80 (# 3666:20 Unique 2.31, 2.61 A)
&rst
ixpk= 3666, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 66, 67,
igr2= 63, 64,
&end
#
# 0 AMB 20-2:3667 0 AMB 20-1:3667 4.50 (# 3667:20 Double Ambig)
&rst
ixpk= 3667, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 72,1031,
igr2= 63, 64, 978, 979,
&end
#
# 98 LEU HA 98 LEU MDY 4.50 (# 3668:20 Unique 2.20, 3.84 A)
&rst
ixpk= 3668, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1171,1172,1173,1175,1176,1177,
&end
#
# 0 AMB 20-2:3669 98 LEU MDY 2.80 (# 3669:20 Single Ambig)
&rst
ixpk= 3669, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1166,1167,1758,
igr2=1171,1172,1173,1175,1176,1177,
&end
#
# 0 AMB 20-2:3670 98 LEU HA 2.80 (# 3670:20 Single Ambig)
&rst
ixpk= 3670, nxpk= 20, iat= -1,1164, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1171,1172,1173,1175,1176,1177,1866,1867,1868,1870,
1871,1872,
&end
#
# 98 LEU HN 152 VAL MGY 6.00 (# 3671:20 Unique 4.71, 6.36 A)
&rst
ixpk= 3671, nxpk= 20, iat=1162, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2=2063,2064,2065,2067,2068,2069,
&end
#
# 128 ASP HA 128 ASP HB- 3.50 (# 3672:20 Unique 2.44, 2.76 A)
&rst
ixpk= 3672, nxpk= 20, iat=1672, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1674,1675,
&end
#
# 128 ASP HN 128 ASP HB- 4.50 (# 3673:20 Unique 2.37, 2.65 A)
&rst
ixpk= 3673, nxpk= 20, iat=1670, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1674,1675,
&end
#
# 61 VAL MGX 61 VAL HB 4.50 (# 3676:20 Unique 2.32, 2.64 A)
&rst
ixpk= 3676, nxpk= 20, iat= -1, 592, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 594, 595, 596, 598, 599, 600,
&end
#
# 0 AMB 20-2:3679 139 VAL HA 2.80 (# 3679:20 Single Ambig)
&rst
ixpk= 3679, nxpk= 20, iat= -1,1862, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1171,1172,1173,1175,1176,1177,1866,1867,1868,1870,
1871,1872,
&end
#
# 139 VAL MGY 139 VAL HB 2.80 (# 3680:20 Unique 2.39, 2.67 A)
&rst
ixpk= 3680, nxpk= 20, iat= -1,1864, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1866,1867,1868,1870,1871,1872,
&end
#
# 0 AMB 20-2:3681 0 AMB 20-1:3681 4.50 (# 3681:20 Double Ambig)
&rst
ixpk= 3681, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1= 413, 414, 464, 465,
igr2= 416, 417, 416, 417, 470, 471,
&end
#
# 36 LYS HB+ 36 LYS HA 4.50 (# 3685:20 Unique 2.33, 2.75 A)
&rst
ixpk= 3685, nxpk= 20, iat= -1, 168, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 170, 171,
&end
#
# 36 LYS HB- 36 LYS HG- 3.50 (# 3686:20 Unique 2.26, 2.62 A)
&rst
ixpk= 3686, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 170, 171,
igr2= 173, 174,
&end
#
# 36 LYS HG+ 36 LYS HB- 4.50 (# 3687:20 Unique 2.26, 2.62 A)
&rst
ixpk= 3687, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 173, 174,
igr2= 170, 171,
&end
#
# 36 LYS HG- 36 LYS HB+ 6.00 (# 3688:20 Unique 2.26, 2.62 A)
&rst
ixpk= 3688, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 173, 174,
igr2= 170, 171,
&end
#
# 36 LYS HG+ 36 LYS HB+ 6.00 (# 3689:20 Unique 2.26, 2.62 A)
&rst
ixpk= 3689, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 173, 174,
igr2= 170, 171,
&end
#
# 36 LYS HG+ 36 LYS HD+ 6.00 (# 3690:20 Unique 2.27, 2.73 A)
&rst
ixpk= 3690, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 173, 174,
igr2= 176, 177,
&end
#
# 36 LYS HE+ 36 LYS HD+ 6.00 (# 3691:20 Unique 2.36, 2.75 A)
&rst
ixpk= 3691, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 179, 180,
igr2= 176, 177,
&end
#
# 36 LYS HE+ 36 LYS HD- 6.00 (# 3692:20 Unique 2.36, 2.75 A)
&rst
ixpk= 3692, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 179, 180,
igr2= 176, 177,
&end
#
# 152 VAL HA 152 VAL HB 6.00 (# 3696:20 Unique 3.02, 3.03 A)
&rst
ixpk= 3696, nxpk= 20, iat=2059,2061, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:3697 120 GLU HB- 2.80 (# 3697:20 Single Ambig)
&rst
ixpk= 3697, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1569,1570,1569,1570,
igr2=1566,1567,
&end
#
# 135 ASP HA 135 ASP HB+ 3.50 (# 3698:20 Unique 2.39, 2.74 A)
&rst
ixpk= 3698, nxpk= 20, iat=1789, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1791,1792,
&end
#
# 137 GLU HB+ 137 GLU HA 2.80 (# 3699:20 Unique 2.42, 2.76 A)
&rst
ixpk= 3699, nxpk= 20, iat= -1,1823, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1825,1826,
&end
#
# 52 LYS HG+ 52 LYS HA 4.50 (# 3700:20 Unique 2.34, 3.53 A)
&rst
ixpk= 3700, nxpk= 20, iat= -1, 443, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 448, 449,
&end
#
# 52 LYS HB+ 52 LYS HA 2.80 (# 3701:20 Unique 2.36, 2.75 A)
&rst
ixpk= 3701, nxpk= 20, iat= -1, 443, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 445, 446,
&end
#
# 52 LYS HG- 52 LYS HB+ 4.50 (# 3702:20 Unique 2.32, 2.59 A)
&rst
ixpk= 3702, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 448, 449,
igr2= 445, 446,
&end
#
# 0 AMB 20-2:3703 96 ILE HG1- 4.50 (# 3703:20 Single Ambig)
&rst
ixpk= 3703, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 419, 420, 592,
igr2=1146,1147,
&end
#
# 52 LYS HA 52 LYS HD- 6.00 (# 3704:20 Unique 2.27, 2.86 A)
&rst
ixpk= 3704, nxpk= 20, iat= 443, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 451, 452,
&end
#
# 0 AMB 20-2:3705 0 AMB 20-1:3705 2.80 (# 3705:20 Double Ambig)
&rst
ixpk= 3705, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1= 448, 449,1806,1807,1806,1807,
igr2= 454, 455,1812,1813,1812,1813,
&end
#
# 52 LYS HG+ 52 LYS HE- 2.80 (# 3706:20 Unique 2.30, 2.96 A)
&rst
ixpk= 3706, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 448, 449,
igr2= 454, 455,
&end
#
# 0 AMB 20-2:3707 0 AMB 20-1:3707 2.80 (# 3707:20 Double Ambig)
&rst
ixpk= 3707, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1843,1844, 451, 452,1407,1408,1407,1408, 814, 815,
igr2=1791,1792, 454, 455,1410,1411,
&end
#
# 149 ARG HN 149 ARG HG- 4.50 (# 3708:20 Preassigned 4.28, 4.47 A)
&rst
ixpk= 3708, nxpk= 20, iat=1999, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=2006,2007,
&end
#
# 0 AMB 20-2:3709 0 AMB 20-1:3709 4.50 (# 3709:20 Double Ambig)
&rst
ixpk= 3709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 21, 76, 45,
igr2= 28, 29, 83, 84, 28, 29,
&end
#
# 0 AMB 20-2:3710 0 AMB 20-1:3710 2.80 (# 3710:20 Double Ambig)
&rst
ixpk= 3710, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1= 470, 471,1370,1371,
igr2= 467, 468,1367,1368,
&end
#
# 109 PRO HB+ 109 PRO HD+ 6.00 (# 3711:20 Unique 2.78, 3.69 A)
&rst
ixpk= 3711, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1370,1371,
igr2=1364,1365,
&end
#
# 109 PRO HD+ 109 PRO HG- 4.50 (# 3712:20 Unique 2.32, 2.61 A)
&rst
ixpk= 3712, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1364,1365,
igr2=1367,1368,
&end
#
# 136 LYS HB- 136 LYS HA 2.80 (# 3713:20 Unique 2.33, 2.67 A)
&rst
ixpk= 3713, nxpk= 20, iat= -1,1801, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1803,1804,
&end
#
# 136 LYS HG+ 136 LYS HA 4.50 (# 3714:20 Unique 2.39, 3.19 A)
&rst
ixpk= 3714, nxpk= 20, iat= -1,1801, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1806,1807,
&end
#
# 124 SER HB+ 124 SER HA 3.50 (# 3715:20 Unique 2.36, 2.60 A)
&rst
ixpk= 3715, nxpk= 20, iat= -1,1617, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1619,1620,
&end
#
# 0 AMB 20-2:3717 0 AMB 20-1:3717 2.80 (# 3717:20 Double Ambig)
&rst
ixpk= 3717, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1= 867,1775,
igr2= 871, 872, 873, 875, 876, 877,1866,1867,1868,1870,
1871,1872,
&end
#
# 87 VAL HN 87 VAL HB 8.00 (# 3718:20 Unique 3.01, 3.72 A)
&rst
ixpk= 3718, nxpk= 20, iat=1005,1009, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 50 PRO HD+ 50 PRO HB- 8.00 (# 3719:20 Unique 2.75, 3.66 A)
&rst
ixpk= 3719, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 413, 414,
igr2= 419, 420,
&end
#
# 50 PRO HD+ 50 PRO HB+ 8.00 (# 3720:20 Unique 2.75, 3.66 A)
&rst
ixpk= 3720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 413, 414,
igr2= 419, 420,
&end
#
# 31 ARG HB+ 30 PRO HA 6.00 (# 3721:20 Unique 4.27, 5.28 A)
&rst
ixpk= 3721, nxpk= 20, iat= -1, 72, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 80, 81,
&end
#
# 53 PRO HD- 53 PRO HB- 4.50 (# 3724:20 Unique 2.82, 3.68 A)
&rst
ixpk= 3724, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 464, 465,
igr2= 470, 471,
&end
#
# 53 PRO HD- 53 PRO HB+ 4.50 (# 3725:20 Unique 2.82, 3.68 A)
&rst
ixpk= 3725, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 464, 465,
igr2= 470, 471,
&end
#
# 0 AMB 20-2:3726 0 AMB 20-1:3726 3.50 (# 3726:20 Double Ambig)
&rst
ixpk= 3726, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 464, 465,1022,1023,
igr2= 467, 468, 981, 982,
&end
#
# 53 PRO HD+ 53 PRO HG+ 3.50 (# 3727:20 Unique 2.33, 2.61 A)
&rst
ixpk= 3727, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 464, 465,
igr2= 467, 468,
&end
#
# 0 AMB 20-2:3728 0 AMB 20-1:3728 4.50 (# 3728:20 Double Ambig)
&rst
ixpk= 3728, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1373, 473,
igr2=1367,1368, 467, 468,
&end
#
# 0 AMB 20-2:3729 0 AMB 20-1:3729 4.50 (# 3729:20 Double Ambig)
&rst
ixpk= 3729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 443, 47,
igr2= 467, 468, 66, 67,
&end
#
# 0 AMB 20-2:3730 146 PRO HA 3.50 (# 3730:20 Single Ambig)
&rst
ixpk= 3730, nxpk= 20, iat= -1,1962, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1956,1957,1956,1957,
&end
#
# 146 PRO HD- 146 PRO HB- 6.00 (# 3731:20 Unique 2.81, 3.68 A)
&rst
ixpk= 3731, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1=1953,1954,
igr2=1959,1960,
&end
#
# 146 PRO HD+ 146 PRO HB+ 4.50 (# 3732:20 Unique 2.81, 3.68 A)
&rst
ixpk= 3732, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1953,1954,
igr2=1959,1960,
&end
#
# 146 PRO HD+ 146 PRO HB- 3.50 (# 3733:20 Unique 2.81, 3.68 A)
&rst
ixpk= 3733, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1953,1954,
igr2=1959,1960,
&end
#
# 64 GLU HG+ 64 GLU HB+ 2.80 (# 3734:20 Unique 2.26, 2.73 A)
&rst
ixpk= 3734, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 638, 639,
igr2= 635, 636,
&end
#
# 0 AMB 20-2:3735 0 AMB 20-1:3735 4.50 (# 3735:20 Double Ambig)
&rst
ixpk= 3735, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1825,1826,1910,1911,
igr2=1880,1881,1882,1890,1891,1892,
&end
#
# 128 ASP HB- 128 ASP HA 2.80 (# 3736:20 Unique 2.44, 2.76 A)
&rst
ixpk= 3736, nxpk= 20, iat= -1,1672, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1674,1675,
&end
#
# 132 GLN HA 132 GLN HB- 3.50 (# 3737:20 Unique 2.37, 2.77 A)
&rst
ixpk= 3737, nxpk= 20, iat=1739, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1741,1742,
&end
#
# 132 GLN HA 132 GLN HB+ 2.80 (# 3738:20 Unique 2.37, 2.77 A)
&rst
ixpk= 3738, nxpk= 20, iat=1739, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1741,1742,
&end
#
# 106 ARG HG- 105 GLN HG+ 4.50 (# 3739:20 Preassigned 3.77, 5.53 A)
&rst
ixpk= 3739, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1316,1317,
igr2=1299,1300,
&end
#
# 0 AMB 20-2:3740 0 AMB 20-1:3740 2.80 (# 3740:20 Double Ambig)
&rst
ixpk= 3740, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1744,1745,2095,2096,
igr2=1741,1742,2092,2093,
&end
#
# 0 AMB 20-2:3741 0 AMB 20-1:3741 2.80 (# 3741:20 Double Ambig)
&rst
ixpk= 3741, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1744,1745,2095,2096,
igr2=1741,1742,2092,2093,
&end
#
# 136 LYS HB+ 136 LYS HG+ 4.50 (# 3744:20 Unique 2.25, 2.74 A)
&rst
ixpk= 3744, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1803,1804,
igr2=1806,1807,
&end
#
# 136 LYS HB+ 136 LYS HG- 3.50 (# 3745:20 Unique 2.25, 2.74 A)
&rst
ixpk= 3745, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1803,1804,
igr2=1806,1807,
&end
#
# 38 LEU MDX 38 LEU HA 3.50 (# 3746:20 Unique 2.20, 3.89 A)
&rst
ixpk= 3746, nxpk= 20, iat= -1, 200, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 207, 208, 209, 211, 212, 213,
&end
#
# 136 LYS HG+ 136 LYS HB- 3.50 (# 3747:20 Unique 2.25, 2.74 A)
&rst
ixpk= 3747, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1806,1807,
igr2=1803,1804,
&end
#
# 85 PRO HA 85 PRO HD- 6.00 (# 3748:20 Unique 3.50, 3.84 A)
&rst
ixpk= 3748, nxpk= 20, iat= 987, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 978, 979,
&end
#
# 39 GLU HN 36 LYS HA 3.50 (# 3750:20 Unique 3.10, 3.30 A)
&rst
ixpk= 3750, nxpk= 20, iat= 217, 168, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 143 MET HG+ 139 VAL MGX 6.00 (# 3751:20 Unique 2.91, 5.39 A)
&rst
ixpk= 3751, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1913,1914,
igr2=1866,1867,1868,1870,1871,1872,
&end
#
# 158 GLU HG- 158 GLU HA 4.50 (# 3752:20 Unique 2.39, 3.56 A)
&rst
ixpk= 3752, nxpk= 20, iat= -1,2153, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2158,2159,
&end
#
# 0 AMB 20-2:3754 41 TYR HA 4.50 (# 3754:20 Single Ambig)
&rst
ixpk= 3754, nxpk= 20, iat= -1, 250, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
igr1= 238, 239, 240, 242, 243, 244, 906, 907, 908,
&end
#
# 40 VAL HN 67 VAL MGX 4.50 (# 3759:20 Preassigned 4.12, 5.89 A)
&rst
ixpk= 3759, nxpk= 20, iat= 232, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 0 AMB 20-2:3762 0 AMB 20-1:3762 2.80 (# 3762:20 Double Ambig)
&rst
ixpk= 3762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.76, r4= 7.51,
igr1=1166,1167,1121,1122,2170,2171,1166,1167,2196,2197,
1758,
igr2=1171,1172,1173,1175,1176,1177,1126,1127,1128,1130,
1131,1132,2218,2219,2220,2222,2223,2224,
&end
#
# 0 AMB 20-2:3763 0 AMB 20-1:3763 3.50 (# 3763:20 Double Ambig)
&rst
ixpk= 3763, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=2155,2156, 981, 982, 380, 381,
igr2=2167,2168,2167,2168, 978, 979,2167,2168,
&end
#
# 0 AMB 20-2:3764 0 AMB 20-1:3764 2.80 (# 3764:20 Double Ambig)
&rst
ixpk= 3764, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1566,1567, 66, 67,2170,2171,
igr2= 978, 979, 63, 64,2167,2168,2167,2168,
&end
#
# 162 LEU MDX 162 LEU HB+ 2.80 (# 3766:20 Unique 2.36, 3.35 A)
&rst
ixpk= 3766, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2218,2219,2220,2222,2223,2224,
igr2=2213,2214,
&end
#
# 98 LEU MDX 98 LEU HB+ 2.80 (# 3770:20 Preassigned 2.34, 3.32 A)
&rst
ixpk= 3770, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1171,1172,1173,1175,1176,1177,
igr2=1166,1167,
&end
#
# 53 PRO HD+ 52 LYS HB+ 6.00 (# 3771:20 Unique 2.27, 3.76 A)
&rst
ixpk= 3771, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 464, 465,
igr2= 445, 446,
&end
#
# 84 THR HA 85 PRO HD- 4.50 (# 3772:20 Unique 2.17, 2.40 A)
&rst
ixpk= 3772, nxpk= 20, iat= 965, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 978, 979,
&end
#
# 108 LEU HG 108 LEU HA 8.00 (# 3773:20 Unique 2.59, 3.09 A)
&rst
ixpk= 3773, nxpk= 20, iat=1351,1346, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 20-2:3774 146 PRO HB- 6.00 (# 3774:20 Single Ambig)
&rst
ixpk= 3774, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1970,1971,1970,1971,
igr2=1959,1960,
&end
#
# 130 ASN HB+ 127 GLU HA 6.00 (# 3775:20 Unique 2.15, 3.86 A)
&rst
ixpk= 3775, nxpk= 20, iat= -1,1657, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1705,1706,
&end
#
# 140 ALA MB 137 GLU HA 2.80 (# 3776:20 Unique 2.41, 3.43 A)
&rst
ixpk= 3776, nxpk= 20, iat= -1,1823, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1880,1881,1882,
&end
#
# 131 LYS HG+ 131 LYS HA 4.50 (# 3777:20 Unique 2.32, 2.86 A)
&rst
ixpk= 3777, nxpk= 20, iat= -1,1717, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1722,1723,
&end
#
# 100 LEU MDY 116 ILE QD1 4.50 (# 3778:20 Unique 2.41, 5.93 A)
&rst
ixpk= 3778, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1=1201,1202,1203,1205,1206,1207,
igr2=1505,1506,1507,
&end
#
# 33 MET HG- 33 MET HA 4.50 (# 3779:20 Unique 2.46, 3.35 A)
&rst
ixpk= 3779, nxpk= 20, iat= -1, 121, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 126, 127,
&end
#
# 143 MET HG+ 143 MET HA 6.00 (# 3780:20 Unique 2.64, 3.36 A)
&rst
ixpk= 3780, nxpk= 20, iat= -1,1908, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1913,1914,
&end
#
# 115 GLU HB+ 115 GLU HA 4.50 (# 3781:20 Unique 2.44, 2.77 A)
&rst
ixpk= 3781, nxpk= 20, iat= -1,1479, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1481,1482,
&end
#
# 0 AMB 20-2:3782 0 AMB 20-1:3782 3.50 (# 3782:20 Double Ambig)
&rst
ixpk= 3782, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1484,1485,1910,1911,
igr2=1479,1908,
&end
#
# 155 CYS HB+ 155 CYS HA 4.50 (# 3783:20 Unique 2.36, 2.74 A)
&rst
ixpk= 3783, nxpk= 20, iat= -1,2107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2109,2110,
&end
#
# 38 LEU HB- 35 GLU HA 4.50 (# 3785:20 Unique 2.24, 3.19 A)
&rst
ixpk= 3785, nxpk= 20, iat= -1, 153, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 202, 203,
&end
#
# 99 CYS HN 98 LEU HB- 4.50 (# 3786:20 Unique 2.52, 3.07 A)
&rst
ixpk= 3786, nxpk= 20, iat=1181, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1166,1167,
&end
#
# 98 LEU HA 98 LEU HB+ 4.50 (# 3787:20 Unique 2.48, 2.82 A)
&rst
ixpk= 3787, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1166,1167,
&end
#
# 96 ILE HG1- 96 ILE QD1 2.80 (# 3788:20 Unique 2.36, 2.66 A)
&rst
ixpk= 3788, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1146,1147,
igr2=1149,1150,1151,
&end
#
# 77 TYR HB+ 69 VAL MGX 4.50 (# 3789:20 Unique 2.36, 5.13 A)
&rst
ixpk= 3789, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 829, 830,
igr2= 705, 706, 707, 709, 710, 711,
&end
#
# 133 ILE HN 133 ILE HG1+ 6.00 (# 3790:20 Unique 2.13, 2.88 A)
&rst
ixpk= 3790, nxpk= 20, iat=1754, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1764,1765,
&end
#
# 133 ILE HG1+ 133 ILE QG2 3.50 (# 3791:20 Unique 2.62, 3.66 A)
&rst
ixpk= 3791, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1764,1765,
igr2=1760,1761,1762,
&end
#
# 70 GLN HN 69 VAL MGX 2.80 (# 3793:20 Unique 2.56, 4.15 A)
&rst
ixpk= 3793, nxpk= 20, iat= 715, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 705, 706, 707, 709, 710, 711,
&end
#
# 145 ASN HD2- 148 LEU MDX 6.00 (# 3794:20 Unique 3.55, 5.81 A)
&rst
ixpk= 3794, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=1947,1948,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 61 VAL MGX 83 PHE HB+ 8.00 (# 3795:20 Unique 2.41, 5.34 A)
&rst
ixpk= 3795, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
igr1= 594, 595, 596, 598, 599, 600,
igr2= 947, 948,
&end
#
# 133 ILE QD1 97 GLY HA+ 6.00 (# 3796:20 Unique 2.10, 3.90 A)
&rst
ixpk= 3796, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1767,1768,1769,
igr2=1157,1158,
&end
#
# 133 ILE QD1 97 GLY HA- 6.00 (# 3797:20 Unique 2.10, 3.90 A)
&rst
ixpk= 3797, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1767,1768,1769,
igr2=1157,1158,
&end
#
# 113 LYS HE+ 113 LYS HG+ 3.50 (# 3800:20 Unique 2.43, 3.26 A)
&rst
ixpk= 3800, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1449,1450,
igr2=1443,1444,
&end
#
# 0 AMB 20-2:3801 0 AMB 20-1:3801 4.50 (# 3801:20 Double Ambig)
&rst
ixpk= 3801, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1438,1672,
igr2=1443,1444,1722,1723,
&end
#
# 0 AMB 20-2:3802 78 LEU MDX 6.00 (# 3802:20 Single Ambig)
&rst
ixpk= 3802, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1= 865,1477,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 162 LEU HA 162 LEU MDY 2.80 (# 3803:20 Preassigned 2.26, 3.91 A)
&rst
ixpk= 3803, nxpk= 20, iat=2211, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=2218,2219,2220,2222,2223,2224,
&end
#
# 162 LEU HB+ 162 LEU MDY 2.80 (# 3804:20 Preassigned 2.36, 3.35 A)
&rst
ixpk= 3804, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2213,2214,
igr2=2218,2219,2220,2222,2223,2224,
&end
#
# 0 AMB 20-2:3805 0 AMB 20-1:3805 2.80 (# 3805:20 Double Ambig)
&rst
ixpk= 3805, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2213,2214,1900,1901,1902,
igr2=2218,2219,2220,2222,2223,2224,1989,1990,1991,1993,
1994,1995,
&end
#
# 162 LEU HG 162 LEU MDY 2.80 (# 3806:20 Unique 2.37, 2.65 A)
&rst
ixpk= 3806, nxpk= 20, iat=2216, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=2218,2219,2220,2222,2223,2224,
&end
#
# 148 LEU HA 148 LEU MDY 2.80 (# 3807:20 Preassigned 2.18, 3.88 A)
&rst
ixpk= 3807, nxpk= 20, iat=1982, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 43 LEU HB+ 43 LEU MDY 3.50 (# 3808:20 Preassigned 2.40, 3.53 A)
&rst
ixpk= 3808, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 285, 286,
igr2= 290, 291, 292, 294, 295, 296,
&end
#
# 52 LYS HG+ 53 PRO HD- 6.00 (# 3809:20 Unique 2.47, 5.01 A)
&rst
ixpk= 3809, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 448, 449,
igr2= 464, 465,
&end
#
# 139 VAL HA 98 LEU MDX 4.50 (# 3813:20 Unique 2.22, 4.05 A)
&rst
ixpk= 3813, nxpk= 20, iat=1862, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1171,1172,1173,1175,1176,1177,
&end
#
# 141 ALA HA 141 ALA MB 2.80 (# 3816:20 Unique 2.46, 2.67 A)
&rst
ixpk= 3816, nxpk= 20, iat=1888, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=1890,1891,1892,
&end
#
# 0 AMB 20-2:3817 148 LEU HA 2.80 (# 3817:20 Single Ambig)
&rst
ixpk= 3817, nxpk= 20, iat= -1,1982, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1984,1985,2042,
&end
#
# 58 GLU HB- 58 GLU HA 2.80 (# 3818:20 Preassigned 2.45, 2.78 A)
&rst
ixpk= 3818, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 543, 544,
&end
#
# 58 GLU HG- 58 GLU HA 3.50 (# 3820:20 Preassigned 2.38, 3.01 A)
&rst
ixpk= 3820, nxpk= 20, iat= -1, 541, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 546, 547,
&end
#
# 69 VAL HN 69 VAL MGX 4.50 (# 3821:20 Unique 2.82, 4.37 A)
&rst
ixpk= 3821, nxpk= 20, iat= 699, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 705, 706, 707, 709, 710, 711,
&end
#
# 0 AMB 20-2:3822 62 VAL MGY 4.50 (# 3822:20 Single Ambig)
&rst
ixpk= 3822, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 620, 319,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 88 PRO HG+ 88 PRO HD+ 4.50 (# 3825:20 Unique 2.33, 2.61 A)
&rst
ixpk= 3825, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1025,1026,
igr2=1022,1023,
&end
#
# 159 PRO HG- 159 PRO HA 4.50 (# 3826:20 Unique 2.77, 3.77 A)
&rst
ixpk= 3826, nxpk= 20, iat= -1,2176, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2170,2171,
&end
#
# 59 LEU HG 54 ASN HB- 4.50 (# 3827:20 Unique 2.66, 4.92 A)
&rst
ixpk= 3827, nxpk= 20, iat= 561, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 481, 482,
&end
#
# 35 GLU HN 35 GLU HB- 3.50 (# 3828:20 Unique 2.45, 2.70 A)
&rst
ixpk= 3828, nxpk= 20, iat= 151, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 155, 156,
&end
#
# 61 VAL MGY 56 LEU MDX 3.50 (# 3830:20 Unique 2.25, 5.22 A)
&rst
ixpk= 3830, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 594, 595, 596, 598, 599, 600,
igr2= 514, 515, 516, 518, 519, 520,
&end
#
# 53 PRO HD- 53 PRO HG+ 4.50 (# 3831:20 Unique 2.33, 2.61 A)
&rst
ixpk= 3831, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 464, 465,
igr2= 467, 468,
&end
#
# 52 LYS HG- 53 PRO HD+ 6.00 (# 3832:20 Unique 2.47, 5.01 A)
&rst
ixpk= 3832, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr1= 448, 449,
igr2= 464, 465,
&end
#
# 0 AMB 20-2:3833 88 PRO HA 3.50 (# 3833:20 Single Ambig)
&rst
ixpk= 3833, nxpk= 20, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1028,1029,1028,1029,
&end
#
# 120 GLU HB+ 88 PRO HA 4.50 (# 3834:20 Unique 2.41, 6.69 A)
&rst
ixpk= 3834, nxpk= 20, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1566,1567,
&end
#
# 85 PRO HG- 88 PRO HA 4.50 (# 3835:20 Unique 2.18, 2.94 A)
&rst
ixpk= 3835, nxpk= 20, iat= -1,1031, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 981, 982,
&end
#
# 84 THR MG2 85 PRO HD- 8.00 (# 3837:20 Unique 2.13, 4.18 A)
&rst
ixpk= 3837, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1= 969, 970, 971,
igr2= 978, 979,
&end
#
# 0 AMB 20-2:3838 0 AMB 20-1:3838 4.50 (# 3838:20 Double Ambig)
&rst
ixpk= 3838, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=2176, 378,
igr2=2170,2171,2170,2171,
&end
#
# 0 AMB 20-2:3839 0 AMB 20-1:3839 6.00 (# 3839:20 Double Ambig)
&rst
ixpk= 3839, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
igr1=2176, 378,1586,
igr2=2170,2171,1025,1026,
&end
#
# 0 AMB 20-2:3840 0 AMB 20-1:3840 4.50 (# 3840:20 Double Ambig)
&rst
ixpk= 3840, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1806,1807, 192, 193, 194,
igr2=1828,1829, 143, 144,
&end
#
# 152 VAL HB 149 ARG HA 3.50 (# 3841:20 Unique 2.39, 2.64 A)
&rst
ixpk= 3841, nxpk= 20, iat=2061,2001, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 148 LEU MDY 148 LEU HA 2.80 (# 3842:20 Unique 2.18, 3.88 A)
&rst
ixpk= 3842, nxpk= 20, iat= -1,1982, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1989,1990,1991,1993,1994,1995,
&end
#
# 148 LEU MDX 148 LEU HA 2.80 (# 3843:20 Unique 2.18, 3.88 A)
&rst
ixpk= 3843, nxpk= 20, iat= -1,1982, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1989,1990,1991,1993,1994,1995,
&end
#
# 157 LEU MDY 157 LEU HB+ 2.80 (# 3844:20 Unique 2.36, 3.29 A)
&rst
ixpk= 3844, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2141,2142,2143,2145,2146,2147,
igr2=2136,2137,
&end
#
# 0 AMB 20-2:3845 0 AMB 20-1:3845 2.80 (# 3845:20 Double Ambig)
&rst
ixpk= 3845, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=2141,2142,2143,2145,2146,2147,2122,2123,2124,2126,
2127,2128,
igr2=2136,2137,2136,2137,
&end
#
# 137 GLU HA 137 GLU HB+ 2.80 (# 3846:20 Unique 2.42, 2.76 A)
&rst
ixpk= 3846, nxpk= 20, iat=1823, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1825,1826,
&end
#
# 0 AMB 20-2:3847 0 AMB 20-1:3847 3.50 (# 3847:20 Double Ambig)
&rst
ixpk= 3847, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1551, 136,
igr2=1553, 138,
&end
#
# 95 LEU MDX 95 LEU HB- 2.80 (# 3848:20 Preassigned 2.35, 3.35 A)
&rst
ixpk= 3848, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1126,1127,1128,1130,1131,1132,
igr2=1121,1122,
&end
#
# 145 ASN HN 142 ALA HA 6.00 (# 3850:20 Unique 3.40, 3.60 A)
&rst
ixpk= 3850, nxpk= 20, iat=1938,1898, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 0 AMB 20-2:3851 71 GLU HA 2.80 (# 3851:20 Single Ambig)
&rst
ixpk= 3851, nxpk= 20, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 736, 737, 739, 740,
&end
#
# 71 GLU HB+ 71 GLU HA 2.80 (# 3852:20 Preassigned 2.32, 2.69 A)
&rst
ixpk= 3852, nxpk= 20, iat= -1, 734, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 736, 737,
&end
#
# 56 LEU HA 61 VAL MGX 6.00 (# 3853:20 Unique 2.40, 4.49 A)
&rst
ixpk= 3853, nxpk= 20, iat= 507, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 594, 595, 596, 598, 599, 600,
&end
#
# 80 ILE QD1 80 ILE HG1- 2.80 (# 3854:20 Preassigned 2.35, 2.65 A)
&rst
ixpk= 3854, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 894, 895, 896,
igr2= 891, 892,
&end
#
# 95 LEU MDY 95 LEU HB- 2.80 (# 3855:20 Unique 2.35, 3.35 A)
&rst
ixpk= 3855, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1126,1127,1128,1130,1131,1132,
igr2=1121,1122,
&end
#
# 0 AMB 20-2:3856 0 AMB 20-1:3856 2.80 (# 3856:20 Double Ambig)
&rst
ixpk= 3856, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=1126,1127,1128,1130,1131,1132,2063,2064,2065,2067,
2068,2069,
igr2=1121,1122,1121,1122,
&end
#
# 95 LEU MDY 95 LEU HB+ 2.80 (# 3857:20 Unique 2.35, 3.35 A)
&rst
ixpk= 3857, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1126,1127,1128,1130,1131,1132,
igr2=1121,1122,
&end
#
# 0 AMB 20-2:3858 0 AMB 20-1:3858 2.80 (# 3858:20 Double Ambig)
&rst
ixpk= 3858, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=2218,2219,2220,2222,2223,2224,2141,2142,2143,2145,
2146,2147,
igr2=2213,2214,2136,2137,
&end
#
# 0 AMB 20-2:3859 0 AMB 20-1:3859 2.80 (# 3859:20 Double Ambig)
&rst
ixpk= 3859, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
igr1=2218,2219,2220,2222,2223,2224,2141,2142,2143,2145,
2146,2147,
igr2=2213,2214,2136,2137,
&end
#
# 0 AMB 20-2:3860 0 AMB 20-1:3860 2.80 (# 3860:20 Double Ambig)
&rst
ixpk= 3860, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.76, r4= 7.51,
igr1=1166,1167,1121,1122,2170,2171,1166,1167,2196,2197,
1758,
igr2=1171,1172,1173,1175,1176,1177,1126,1127,1128,1130,
1131,1132,2218,2219,2220,2222,2223,2224,
&end
#
# 47 ILE QD1 44 ILE HA 2.80 (# 3861:20 Unique 2.36, 3.27 A)
&rst
ixpk= 3861, nxpk= 20, iat= -1, 302, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 370, 371, 372,
&end
#
# 0 AMB 20-2:3862 0 AMB 20-1:3862 2.80 (# 3862:20 Double Ambig)
&rst
ixpk= 3862, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 306, 307, 308,1171,1172,1173,1175,1176,1177,1866,
1867,1868,1870,1871,1872,
igr2= 302,1756,
&end
#
# 142 ALA MB 142 ALA HA 2.80 (# 3863:20 Preassigned 2.42, 2.66 A)
&rst
ixpk= 3863, nxpk= 20, iat= -1,1898, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1900,1901,1902,
&end
#
# 39 GLU HN 39 GLU HB- 2.80 (# 3864:20 Unique 2.37, 3.04 A)
&rst
ixpk= 3864, nxpk= 20, iat= 217, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2= 221, 222,
&end
#
# 0 AMB 20-2:3865 118 ILE QD1 3.50 (# 3865:20 Single Ambig)
&rst
ixpk= 3865, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1688,1689,1690,1767,1768,1769,
igr2=1545,1546,1547,
&end
#
# 0 AMB 20-2:3866 0 AMB 20-1:3866 3.50 (# 3866:20 Double Ambig)
&rst
ixpk= 3866, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.01, r4= 8.76,
igr1=1569,1570,1569,1570,2173,2174,2173,2174, 69, 70,
2158,2159,
igr2= 978, 979, 978, 979,2167,2168,2167,2168, 63, 64,
2167,2168,
&end
#
# 157 LEU HA 156 VAL MGX 4.50 (# 3867:20 Unique 3.59, 5.76 A)
&rst
ixpk= 3867, nxpk= 20, iat=2134, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=2122,2123,2124,2126,2127,2128,
&end
#
# 104 LEU HB+ 104 LEU MDY 3.50 (# 3869:20 Unique 2.33, 3.30 A)
&rst
ixpk= 3869, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1277,1278,
igr2=1282,1283,1284,1286,1287,1288,
&end
#
# 83 PHE HA 62 VAL MGY 6.00 (# 3872:20 Unique 2.95, 6.39 A)
&rst
ixpk= 3872, nxpk= 20, iat= 945, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr2= 610, 611, 612, 614, 615, 616,
&end
#
# 95 LEU MDY 95 LEU HA 3.50 (# 3874:20 Unique 2.21, 3.83 A)
&rst
ixpk= 3874, nxpk= 20, iat= -1,1119, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1126,1127,1128,1130,1131,1132,
&end
#
# 78 LEU HG 78 LEU MDX 2.80 (# 3875:20 Unique 2.39, 2.66 A)
&rst
ixpk= 3875, nxpk= 20, iat= 853, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 37 ALA HA 40 VAL MGX 4.50 (# 3876:20 Preassigned 3.55, 4.50 A)
&rst
ixpk= 3876, nxpk= 20, iat= 190, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2= 238, 239, 240, 242, 243, 244,
&end
#
# 100 LEU HG 116 ILE QD1 3.50 (# 3877:20 Unique 2.40, 4.46 A)
&rst
ixpk= 3877, nxpk= 20, iat=1199, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1505,1506,1507,
&end
#
# 83 PHE HE 116 ILE QG2 4.50 (# 3878:20 Unique 2.24, 5.64 A)
&rst
ixpk= 3878, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 953, 957,
igr2=1498,1499,1500,
&end
#
# 116 ILE HN 116 ILE QG2 6.00 (# 3879:20 Unique 3.37, 4.49 A)
&rst
ixpk= 3879, nxpk= 20, iat=1492, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2=1498,1499,1500,
&end
#
# 35 GLU HN 35 GLU HG- 4.50 (# 3880:20 Unique 2.23, 4.13 A)
&rst
ixpk= 3880, nxpk= 20, iat= 151, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2= 158, 159,
&end
#
# 0 AMB 20-2:3881 118 ILE HG1- 2.80 (# 3881:20 Single Ambig)
&rst
ixpk= 3881, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1536,1097,1098,1099,
igr2=1542,1543,
&end
#
# 50 PRO HA 151 ILE QG2 2.80 (# 3882:20 Unique 2.58, 3.32 A)
&rst
ixpk= 3882, nxpk= 20, iat= 422, -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr2=2044,2045,2046,
&end
#
# 131 LYS HB+ 131 LYS HG- 2.80 (# 3883:20 Preassigned 2.28, 2.75 A)
&rst
ixpk= 3883, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1719,1720,
igr2=1722,1723,
&end
#
# 0 AMB 20-2:3884 102 VAL HB 3.50 (# 3884:20 Single Ambig)
&rst
ixpk= 3884, nxpk= 20, iat= -1,1239, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2122,2123,2124,2126,2127,2128,2063,2064,2065,2067,
2068,2069,
&end
#
# 120 GLU HB+ 120 GLU HA 2.80 (# 3885:20 Unique 2.29, 2.72 A)
&rst
ixpk= 3885, nxpk= 20, iat= -1,1564, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1566,1567,
&end
#
# 31 ARG HG- 31 ARG HA 3.50 (# 3887:20 Unique 2.32, 3.19 A)
&rst
ixpk= 3887, nxpk= 20, iat= -1, 78, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 83, 84,
&end
#
# 41 TYR HB- 67 VAL MGY 4.50 (# 3888:20 Unique 2.15, 4.45 A)
&rst
ixpk= 3888, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 252, 253,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 41 TYR HD 64 GLU HA 6.00 (# 3889:20 Unique 3.05, 3.85 A)
&rst
ixpk= 3889, nxpk= 20, iat= -1, 633, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1= 256, 265,
&end
#
# 41 TYR HE 64 GLU HA 8.00 (# 3890:20 Unique 4.05, 4.86 A)
&rst
ixpk= 3890, nxpk= 20, iat= -1, 633, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 258, 263,
&end
#
# 64 GLU HB- 64 GLU HG+ 3.50 (# 3891:20 Unique 2.26, 2.73 A)
&rst
ixpk= 3891, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 635, 636,
igr2= 638, 639,
&end
#
# 64 GLU HB- 64 GLU HG- 2.80 (# 3892:20 Unique 2.26, 2.73 A)
&rst
ixpk= 3892, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 635, 636,
igr2= 638, 639,
&end
#
# 111 LYS HB+ 111 LYS HA 4.50 (# 3893:20 Unique 2.36, 2.71 A)
&rst
ixpk= 3893, nxpk= 20, iat= -1,1399, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1401,1402,
&end
#
# 0 AMB 20-2:3894 136 LYS HA 4.50 (# 3894:20 Single Ambig)
&rst
ixpk= 3894, nxpk= 20, iat= -1,1801, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1809,1810,1809,1810,
&end
#
# 137 GLU HN 136 LYS HB+ 6.00 (# 3895:20 Unique 2.55, 3.59 A)
&rst
ixpk= 3895, nxpk= 20, iat=1821, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1803,1804,
&end
#
# 136 LYS HG+ 136 LYS HB+ 3.50 (# 3896:20 Unique 2.25, 2.74 A)
&rst
ixpk= 3896, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1806,1807,
igr2=1803,1804,
&end
#
# 136 LYS HA 0 AMB 20-1:3897 8.00 (# 3897:20 Single Ambig)
&rst
ixpk= 3897, nxpk= 20, iat=1801, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr2=1809,1810,1809,1810,
&end
#
# 136 LYS HN 0 AMB 20-1:3898 8.00 (# 3898:20 Single Ambig)
&rst
ixpk= 3898, nxpk= 20, iat=1799, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr2=1809,1810,1809,1810,
&end
#
# 139 VAL HN 0 AMB 20-1:3899 6.00 (# 3899:20 Single Ambig)
&rst
ixpk= 3899, nxpk= 20, iat=1860, -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
igr2=1809,1810,1809,1810,
&end
#
# 96 ILE HN 96 ILE HG1- 6.00 (# 3900:20 Unique 2.24, 3.03 A)
&rst
ixpk= 3900, nxpk= 20, iat=1136, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1146,1147,
&end
#
# 136 LYS HE- 136 LYS HD- 2.80 (# 3901:20 Preassigned 2.36, 2.74 A)
&rst
ixpk= 3901, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1812,1813,
igr2=1809,1810,
&end
#
# 126 GLU HN 125 THR HA 8.00 (# 3903:20 Unique 2.12, 3.23 A)
&rst
ixpk= 3903, nxpk= 20, iat=1640,1628, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75, &end
#
# 0 AMB 20-2:3904 125 THR MG2 8.00 (# 3904:20 Single Ambig)
&rst
ixpk= 3904, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1=1682,1640,
igr2=1632,1633,1634,
&end
#
# 128 ASP HB+ 125 THR MG2 6.00 (# 3905:20 Unique 2.30, 5.38 A)
&rst
ixpk= 3905, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
igr1=1674,1675,
igr2=1632,1633,1634,
&end
#
# 34 GLU HN 32 ILE HA 4.50 (# 3906:20 Unique 4.40, 4.54 A)
&rst
ixpk= 3906, nxpk= 20, iat= 136, 102, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 33 MET HN 32 ILE QD1 8.00 (# 3907:20 Unique 2.63, 5.30 A)
&rst
ixpk= 3907, nxpk= 20, iat= 119, -1, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr2= 113, 114, 115,
&end
#
# 70 GLN HG+ 32 ILE QD1 4.50 (# 3908:20 Unique 2.40, 5.29 A)
&rst
ixpk= 3908, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr1= 722, 723,
igr2= 113, 114, 115,
&end
#
# 31 ARG HN 32 ILE QG2 8.00 (# 3909:20 Unique 5.85, 7.54 A)
&rst
ixpk= 3909, nxpk= 20, iat= 76, -1, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr2= 106, 107, 108,
&end
#
# 34 GLU HN 32 ILE QG2 4.50 (# 3910:20 Unique 2.46, 3.80 A)
&rst
ixpk= 3910, nxpk= 20, iat= 136, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr2= 106, 107, 108,
&end
#
# 33 MET HA 32 ILE QG2 6.00 (# 3911:20 Unique 3.89, 5.21 A)
&rst
ixpk= 3911, nxpk= 20, iat= 121, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 106, 107, 108,
&end
#
# 34 GLU HB+ 32 ILE QG2 2.80 (# 3912:20 Unique 2.37, 4.50 A)
&rst
ixpk= 3912, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 140, 141,
igr2= 106, 107, 108,
&end
#
# 0 AMB 20-2:3913 32 ILE QG2 4.50 (# 3913:20 Single Ambig)
&rst
ixpk= 3913, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
igr1= 722, 723, 143, 144,
igr2= 106, 107, 108,
&end
#
# 130 ASN HA 133 ILE HB 6.00 (# 3914:20 Unique 4.95, 5.15 A)
&rst
ixpk= 3914, nxpk= 20, iat=1703,1758, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 130 ASN HA 133 ILE HG1+ 6.00 (# 3915:20 Unique 2.08, 2.83 A)
&rst
ixpk= 3915, nxpk= 20, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2=1764,1765,
&end
#
# 133 ILE HB 133 ILE HG1+ 4.50 (# 3916:20 Unique 2.29, 2.71 A)
&rst
ixpk= 3916, nxpk= 20, iat=1758, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1764,1765,
&end
#
# 133 ILE HB 133 ILE HG1- 4.50 (# 3917:20 Preassigned 2.29, 2.71 A)
&rst
ixpk= 3917, nxpk= 20, iat=1758, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1764,1765,
&end
#
# 97 GLY HA+ 133 ILE QG2 8.00 (# 3918:20 Unique 2.16, 4.06 A)
&rst
ixpk= 3918, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
igr1=1157,1158,
igr2=1760,1761,1762,
&end
#
# 0 AMB 20-2:3919 126 GLU HA 4.50 (# 3919:20 Single Ambig)
&rst
ixpk= 3919, nxpk= 20, iat= -1,1642, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1692,1693,1536,
&end
#
# 135 ASP HB+ 135 ASP HA 8.00 (# 3920:20 Unique 2.39, 2.74 A)
&rst
ixpk= 3920, nxpk= 20, iat= -1,1789, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1=1791,1792,
&end
#
# 134 ASN HN 134 ASN HB- 4.50 (# 3922:20 Unique 2.34, 2.66 A)
&rst
ixpk= 3922, nxpk= 20, iat=1773, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1777,1778,
&end
#
# 134 ASN HD2- 134 ASN HB+ 8.00 (# 3923:20 Unique 2.18, 3.35 A)
&rst
ixpk= 3923, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1=1782,1783,
igr2=1777,1778,
&end
#
# 134 ASN HD2- 134 ASN HB- 4.50 (# 3924:20 Unique 2.18, 3.35 A)
&rst
ixpk= 3924, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1782,1783,
igr2=1777,1778,
&end
#
# 0 AMB 20-2:3925 37 ALA HA 8.00 (# 3925:20 Single Ambig)
&rst
ixpk= 3925, nxpk= 20, iat= -1, 190, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr1= 248, 699,
&end
#
# 40 VAL HN 37 ALA HA 4.50 (# 3926:20 Unique 3.29, 3.45 A)
&rst
ixpk= 3926, nxpk= 20, iat= 232, 190, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 40 VAL HB 37 ALA MB 6.00 (# 3927:20 Unique 4.33, 4.98 A)
&rst
ixpk= 3927, nxpk= 20, iat= 236, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr2= 192, 193, 194,
&end
#
# 67 VAL MGY 37 ALA MB 4.50 (# 3928:20 Unique 2.32, 5.25 A)
&rst
ixpk= 3928, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 674, 675, 676, 678, 679, 680,
igr2= 192, 193, 194,
&end
#
# 0 AMB 20-2:3931 0 AMB 20-1:3931 4.50 (# 3931:20 Double Ambig)
&rst
ixpk= 3931, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1860,1701,
igr2=1823,1717,
&end
#
# 130 ASN HD2- 127 GLU HA 6.00 (# 3932:20 Unique 2.08, 3.50 A)
&rst
ixpk= 3932, nxpk= 20, iat= -1,1657, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr1=1710,1711,
&end
#
# 128 ASP HA 127 GLU HA 6.00 (# 3933:20 Preassigned 4.71, 4.76 A)
&rst
ixpk= 3933, nxpk= 20, iat=1672,1657, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75, &end
#
# 127 GLU HB- 127 GLU HA 2.80 (# 3934:20 Preassigned 2.44, 2.78 A)
&rst
ixpk= 3934, nxpk= 20, iat= -1,1657, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1659,1660,
&end
#
# 127 GLU HG- 127 GLU HA 2.80 (# 3935:20 Preassigned 2.39, 2.94 A)
&rst
ixpk= 3935, nxpk= 20, iat= -1,1657, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1662,1663,
&end
#
# 127 GLU HG+ 127 GLU HA 2.80 (# 3936:20 Unique 2.39, 2.94 A)
&rst
ixpk= 3936, nxpk= 20, iat= -1,1657, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1662,1663,
&end
#
# 126 GLU HN 126 GLU HB- 4.50 (# 3937:20 Preassigned 2.32, 3.03 A)
&rst
ixpk= 3937, nxpk= 20, iat=1640, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1644,1645,
&end
#
# 125 THR HB 0 AMB 20-1:3938 4.50 (# 3938:20 Single Ambig)
&rst
ixpk= 3938, nxpk= 20, iat=1630, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1659,1660,1659,1660,1644,1645,
&end
#
# 127 GLU HN 127 GLU HG+ 4.50 (# 3939:20 Unique 2.19, 2.98 A)
&rst
ixpk= 3939, nxpk= 20, iat=1655, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr2=1662,1663,
&end
#
# 0 AMB 20-2:3940 0 AMB 20-1:3940 3.50 (# 3940:20 Double Ambig)
&rst
ixpk= 3940, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1655,1551,
igr2=1662,1663,1647,1648,1647,1648,1569,1570,
&end
#
# 99 CYS HA 102 VAL MGY 4.50 (# 3941:20 Unique 3.88, 4.83 A)
&rst
ixpk= 3941, nxpk= 20, iat=1183, -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
igr2=1241,1242,1243,1245,1246,1247,
&end
#
# 45 ARG HE 45 ARG HG- 8.00 (# 3942:20 Unique 2.47, 3.17 A)
&rst
ixpk= 3942, nxpk= 20, iat= 332, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 326, 327,
&end
#
# 45 ARG HN 45 ARG HG- 8.00 (# 3943:20 Unique 2.15, 3.34 A)
&rst
ixpk= 3943, nxpk= 20, iat= 319, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 326, 327,
&end
#
# 46 THR HN 45 ARG HG+ 8.00 (# 3944:20 Unique 2.40, 3.22 A)
&rst
ixpk= 3944, nxpk= 20, iat= 343, -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
igr2= 326, 327,
&end
#
# 46 THR HN 45 ARG HG- 6.00 (# 3945:20 Unique 2.40, 3.22 A)
&rst
ixpk= 3945, nxpk= 20, iat= 343, -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
igr2= 326, 327,
&end
#
# 45 ARG HG- 45 ARG HB- 8.00 (# 3946:20 Unique 2.38, 2.77 A)
&rst
ixpk= 3946, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
igr1= 326, 327,
igr2= 323, 324,
&end
#
# 0 AMB 20-2:3947 119 SER HA 4.50 (# 3947:20 Single Ambig)
&rst
ixpk= 3947, nxpk= 20, iat= -1,1553, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1647,1648,1647,1648,
&end
#
# 126 GLU HB+ 119 SER HA 2.80 (# 3948:20 Unique 2.30, 3.16 A)
&rst
ixpk= 3948, nxpk= 20, iat= -1,1553, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1644,1645,
&end
#
# 119 SER HA 0 AMB 20-1:3949 3.50 (# 3949:20 Single Ambig)
&rst
ixpk= 3949, nxpk= 20, iat=1553, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=1647,1648,1647,1648,
&end
#
# 0 AMB 20-2:3950 0 AMB 20-1:3950 6.00 (# 3950:20 Double Ambig)
&rst
ixpk= 3950, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
igr1=1644,1645, 224, 225,
igr2=1564, 200,
&end
#
# 0 AMB 20-2:3951 0 AMB 20-1:3951 2.80 (# 3951:20 Double Ambig)
&rst
ixpk= 3951, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
igr1=1564,1925,1657,
igr2=1569,1570,1569,1570,1930,1931,1647,1648,
&end
#
# 131 LYS HA 131 LYS HB- 2.80 (# 3952:20 Unique 2.44, 2.77 A)
&rst
ixpk= 3952, nxpk= 20, iat=1717, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=1719,1720,
&end
#
# 117 TYR HA 133 ILE QD1 8.00 (# 3953:20 Unique 2.40, 4.07 A)
&rst
ixpk= 3953, nxpk= 20, iat=1513, -1, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
igr2=1767,1768,1769,
&end
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