NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
491618 |
2hlu   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 46 ALA HN 45 LEU HN 5.50 (# 1:15 Unique 3.86, 4.06 A)
&rst
ixpk= 1, nxpk= 15, iat= 762, 743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 33 TRP HN 45 LEU HN 4.50 (# 2:15 Unique 2.55, 2.73 A)
&rst
ixpk= 2, nxpk= 15, iat= 538, 743, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 TRP HD1 45 LEU HN 4.50 (# 3:15 Unique 3.13, 3.27 A)
&rst
ixpk= 3, nxpk= 15, iat= 546, 743, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 VAL HA 45 LEU HN 4.50 (# 4:15 Unique 3.61, 3.73 A)
&rst
ixpk= 4, nxpk= 15, iat= 564, 743, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ILE HA 45 LEU HN 2.80 (# 5:15 Unique 2.26, 2.28 A)
&rst
ixpk= 5, nxpk= 15, iat= 726, 743, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 45 LEU HA 45 LEU HN 4.50 (# 6:15 Unique 2.92, 2.93 A)
&rst
ixpk= 6, nxpk= 15, iat= 745, 743, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:7 45 LEU HN 5.50 (# 7:15 Single Ambig)
&rst
ixpk= 7, nxpk= 15, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 728, 106,
&end
#
# 44 ILE QG2 45 LEU HN 4.50 (# 8:15 Unique 2.35, 3.10 A)
&rst
ixpk= 8, nxpk= 15, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 730, 731, 732,
&end
#
# 0 AMB 15-2:10 45 LEU HN 4.50 (# 10:15 Single Ambig)
&rst
ixpk= 10, nxpk= 15, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 353, 354, 355, 357, 358, 359, 737, 738, 739,
&end
#
# 45 LEU QD+ 45 LEU HN 5.50 (# 12:15 Unique 4.70, 5.55 A)
&rst
ixpk= 12, nxpk= 15, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 752, 753, 754, 756, 757, 758,
&end
#
# 45 LEU HB+ 45 LEU HN 3.50 (# 13:15 Unique 2.91, 3.07 A)
&rst
ixpk= 13, nxpk= 15, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 747, 748,
&end
#
# 45 LEU HB- 45 LEU HN 3.50 (# 14:15 Unique 2.91, 3.07 A)
&rst
ixpk= 14, nxpk= 15, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 747, 748,
&end
#
# 0 AMB 15-2:15 45 LEU HN 5.50 (# 15:15 Single Ambig)
&rst
ixpk= 15, nxpk= 15, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 724, 578,
&end
#
# 0 AMB 15-2:17 45 LEU HN 4.50 (# 17:15 Single Ambig)
&rst
ixpk= 17, nxpk= 15, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 568, 569, 570, 572, 573, 574, 588, 589,
&end
#
# 33 TRP HB+ 33 TRP HE1 5.50 (# 18:15 Unique 4.85, 5.09 A)
&rst
ixpk= 18, nxpk= 15, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 542, 543,
&end
#
# 0 AMB 15-2:19 33 TRP HE1 4.50 (# 19:15 Single Ambig)
&rst
ixpk= 19, nxpk= 15, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 588, 589, 750,
&end
#
# 33 TRP HD1 33 TRP HE1 5.50 (# 23:15 Unique 2.56, 2.57 A)
&rst
ixpk= 23, nxpk= 15, iat= 546, 548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 TRP HZ2 33 TRP HE1 2.80 (# 24:15 Unique 2.83, 2.84 A)
&rst
ixpk= 24, nxpk= 15, iat= 551, 548, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 45 LEU QD- 33 TRP HE1 3.50 (# 26:15 Unique 3.79, 5.50 A)
&rst
ixpk= 26, nxpk= 15, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 752, 753, 754, 756, 757, 758,
&end
#
# 0 AMB 15-2:27 33 TRP HE1 3.50 (# 27:15 Single Ambig)
&rst
ixpk= 27, nxpk= 15, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 752, 753, 754, 756, 757, 758,1410,1411,1412,1414,
1415,1416,
&end
#
# 45 LEU HB- 33 TRP HE1 5.50 (# 29:15 Unique 2.64, 3.18 A)
&rst
ixpk= 29, nxpk= 15, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 747, 748,
&end
#
# 5 ARG HG+ 6 ILE HN 5.50 (# 30:15 Unique 2.50, 3.18 A)
&rst
ixpk= 30, nxpk= 15, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 85, 86,
&end
#
# 0 AMB 15-2:31 6 ILE HN 5.50 (# 31:15 Single Ambig)
&rst
ixpk= 31, nxpk= 15, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 752, 753, 754, 756, 757, 758,1170,1171,1172,1174,
1175,1176, 961, 962, 963, 127, 128, 129,
&end
#
# 45 LEU HA 6 ILE HN 4.50 (# 33:15 Unique 3.49, 3.55 A)
&rst
ixpk= 33, nxpk= 15, iat= 745, 102, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ILE HN 6 ILE HN 3.50 (# 34:15 Unique 2.71, 2.79 A)
&rst
ixpk= 34, nxpk= 15, iat= 724, 102, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:35 6 ILE HN 5.50 (# 35:15 Single Ambig)
&rst
ixpk= 35, nxpk= 15, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 78,1180,
&end
#
# 0 AMB 15-2:36 6 ILE HN 2.80 (# 36:15 Single Ambig)
&rst
ixpk= 36, nxpk= 15, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 80, 104,
&end
#
# 0 AMB 15-2:37 6 ILE HN 2.80 (# 37:15 Single Ambig)
&rst
ixpk= 37, nxpk= 15, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 106, 728,
&end
#
# 0 AMB 15-2:38 6 ILE HN 3.50 (# 38:15 Single Ambig)
&rst
ixpk= 38, nxpk= 15, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 112, 113, 82,
&end
#
# 0 AMB 15-2:39 6 ILE HN 4.50 (# 39:15 Single Ambig)
&rst
ixpk= 39, nxpk= 15, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 750, 730, 731, 732, 131, 132, 734, 735,
&end
#
# 6 ILE HG1- 6 ILE HN 3.50 (# 40:15 Unique 3.11, 3.63 A)
&rst
ixpk= 40, nxpk= 15, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 112, 113,
&end
#
# 0 AMB 15-2:41 6 ILE HN 5.50 (# 41:15 Single Ambig)
&rst
ixpk= 41, nxpk= 15, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 108, 109, 110, 737, 738, 739,
&end
#
# 42 VAL HN 43 GLU HN 5.50 (# 43:15 Unique 4.38, 4.43 A)
&rst
ixpk= 43, nxpk= 15, iat= 693, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 VAL HB 69 VAL HN 3.50 (# 44:15 Unique 2.31, 2.43 A)
&rst
ixpk= 44, nxpk= 15, iat=1096,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:45 69 VAL HN 3.50 (# 45:15 Single Ambig)
&rst
ixpk= 45, nxpk= 15, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 68 LYS HA 69 VAL HN 2.80 (# 47:15 Unique 2.17, 2.24 A)
&rst
ixpk= 47, nxpk= 15, iat=1072,1092, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 VAL HA 69 VAL HN 4.50 (# 48:15 Unique 2.86, 2.88 A)
&rst
ixpk= 48, nxpk= 15, iat=1094,1092, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:49 69 VAL HN 4.50 (# 49:15 Single Ambig)
&rst
ixpk= 49, nxpk= 15, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1074,1075, 179, 180,
&end
#
# 37 ARG HN 43 GLU HN 5.50 (# 50:15 Unique 3.90, 4.03 A)
&rst
ixpk= 50, nxpk= 15, iat= 614, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 ASN HA 43 GLU HN 4.50 (# 51:15 Unique 3.29, 3.46 A)
&rst
ixpk= 51, nxpk= 15, iat= 602, 709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 GLU HB+ 43 GLU HN 3.50 (# 52:15 Unique 2.54, 2.93 A)
&rst
ixpk= 52, nxpk= 15, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 713, 714,
&end
#
# 0 AMB 15-2:53 43 GLU HN 4.50 (# 53:15 Single Ambig)
&rst
ixpk= 53, nxpk= 15, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 585, 586, 621, 622,
&end
#
# 35 LYS HN 43 GLU HN 3.50 (# 54:15 Unique 2.82, 2.91 A)
&rst
ixpk= 54, nxpk= 15, iat= 578, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 GLU HA 43 GLU HN 4.50 (# 55:15 Unique 2.97, 2.98 A)
&rst
ixpk= 55, nxpk= 15, iat= 711, 709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:57 43 GLU HN 5.50 (# 57:15 Single Ambig)
&rst
ixpk= 57, nxpk= 15, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 716, 717, 566,
&end
#
# 43 GLU HB- 43 GLU HN 3.50 (# 58:15 Unique 2.54, 2.93 A)
&rst
ixpk= 58, nxpk= 15, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 713, 714,
&end
#
# 0 AMB 15-2:59 43 GLU HN 5.50 (# 59:15 Single Ambig)
&rst
ixpk= 59, nxpk= 15, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 621, 622, 697,
&end
#
# 0 AMB 15-2:60 43 GLU HN 3.50 (# 60:15 Single Ambig)
&rst
ixpk= 60, nxpk= 15, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
704, 705,
&end
#
# 42 VAL HN 8 VAL HN 3.50 (# 61:15 Unique 2.60, 2.69 A)
&rst
ixpk= 61, nxpk= 15, iat= 693, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:62 8 VAL HN 3.50 (# 62:15 Single Ambig)
&rst
ixpk= 62, nxpk= 15, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 697, 125,
&end
#
# 0 AMB 15-2:63 8 VAL HN 2.80 (# 63:15 Single Ambig)
&rst
ixpk= 63, nxpk= 15, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 146, 147, 148, 150, 151, 152, 737, 738, 739,
&end
#
# 41 ARG HG+ 8 VAL HN 5.50 (# 64:15 Unique 3.41, 4.31 A)
&rst
ixpk= 64, nxpk= 15, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 676, 677,
&end
#
# 7 ILE HN 8 VAL HN 4.50 (# 65:15 Unique 4.34, 4.38 A)
&rst
ixpk= 65, nxpk= 15, iat= 121, 140, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 VAL HA 8 VAL HN 4.50 (# 66:15 Unique 2.97, 2.99 A)
&rst
ixpk= 66, nxpk= 15, iat= 142, 140, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 VAL HB 8 VAL HN 3.50 (# 67:15 Unique 2.71, 2.84 A)
&rst
ixpk= 67, nxpk= 15, iat= 144, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:68 8 VAL HN 3.50 (# 68:15 Single Ambig)
&rst
ixpk= 68, nxpk= 15, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 131, 132, 699, 700, 701, 703, 704, 705, 699, 700,
701, 703, 704, 705,
&end
#
# 8 VAL QG+ 8 VAL HN 4.50 (# 69:15 Unique 2.61, 4.17 A)
&rst
ixpk= 69, nxpk= 15, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 146, 147, 148, 150, 151, 152,
&end
#
# 43 GLU HA 8 VAL HN 5.50 (# 70:15 Unique 3.70, 3.80 A)
&rst
ixpk= 70, nxpk= 15, iat= 711, 140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ILE HA 8 VAL HN 2.80 (# 71:15 Unique 2.25, 2.29 A)
&rst
ixpk= 71, nxpk= 15, iat= 123, 140, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 ILE QG2 8 VAL HN 3.50 (# 72:15 Unique 2.54, 3.25 A)
&rst
ixpk= 72, nxpk= 15, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 127, 128, 129,
&end
#
# 12 VAL HN 11 ARG HN 5.50 (# 73:15 Unique 3.79, 3.86 A)
&rst
ixpk= 73, nxpk= 15, iat= 199, 175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 GLY HA+ 11 ARG HN 2.80 (# 74:15 Unique 2.21, 2.57 A)
&rst
ixpk= 74, nxpk= 15, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 170, 171,
&end
#
# 11 ARG HA 11 ARG HN 3.50 (# 75:15 Unique 2.96, 2.97 A)
&rst
ixpk= 75, nxpk= 15, iat= 177, 175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:76 11 ARG HN 5.50 (# 76:15 Single Ambig)
&rst
ixpk= 76, nxpk= 15, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1094, 201,
&end
#
# 10 GLY HA- 11 ARG HN 3.50 (# 77:15 Unique 2.21, 2.57 A)
&rst
ixpk= 77, nxpk= 15, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 170, 171,
&end
#
# 0 AMB 15-2:78 11 ARG HN 2.80 (# 78:15 Single Ambig)
&rst
ixpk= 78, nxpk= 15, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 179, 180,1074,1075,
&end
#
# 11 ARG HG+ 11 ARG HN 4.50 (# 79:15 Unique 4.31, 4.52 A)
&rst
ixpk= 79, nxpk= 15, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 182, 183,
&end
#
# 12 VAL QG+ 11 ARG HN 3.50 (# 80:15 Unique 3.17, 4.99 A)
&rst
ixpk= 80, nxpk= 15, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 205, 206, 207, 209, 210, 211,
&end
#
# 68 LYS HN 11 ARG HN 4.50 (# 82:15 Unique 3.28, 3.35 A)
&rst
ixpk= 82, nxpk= 15, iat=1070, 175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 ARG HB+ 11 ARG HN 3.50 (# 83:15 Unique 2.28, 2.62 A)
&rst
ixpk= 83, nxpk= 15, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 179, 180,
&end
#
# 10 GLY HN 11 ARG HN 4.50 (# 84:15 Unique 4.40, 4.45 A)
&rst
ixpk= 84, nxpk= 15, iat= 168, 175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 THR QG2 11 ARG HN 4.50 (# 85:15 Unique 3.09, 4.18 A)
&rst
ixpk= 85, nxpk= 15, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1114,1115,1116,
&end
#
# 4 TYR HN 46 ALA HN 4.50 (# 88:15 Unique 2.76, 2.83 A)
&rst
ixpk= 88, nxpk= 15, iat= 57, 762, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 ILE HN 46 ALA HN 5.50 (# 90:15 Unique 5.13, 5.23 A)
&rst
ixpk= 90, nxpk= 15, iat= 102, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ARG HA 46 ALA HN 4.50 (# 91:15 Unique 3.63, 3.76 A)
&rst
ixpk= 91, nxpk= 15, iat= 80, 762, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 LEU HB+ 46 ALA HN 4.50 (# 92:15 Unique 4.09, 4.35 A)
&rst
ixpk= 92, nxpk= 15, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 747, 748,
&end
#
# 45 LEU HB- 46 ALA HN 5.50 (# 93:15 Unique 4.09, 4.35 A)
&rst
ixpk= 93, nxpk= 15, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 747, 748,
&end
#
# 34 VAL HN 89 VAL HN 4.50 (# 95:15 Unique 3.18, 3.30 A)
&rst
ixpk= 95, nxpk= 15, iat= 562,1404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 LYS HA 89 VAL HN 4.50 (# 96:15 Unique 3.17, 3.31 A)
&rst
ixpk= 96, nxpk= 15, iat= 580,1404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 ILE HA 89 VAL HN 2.80 (# 97:15 Unique 2.14, 2.17 A)
&rst
ixpk= 97, nxpk= 15, iat=1387,1404, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 89 VAL HA 89 VAL HN 3.50 (# 98:15 Unique 2.94, 2.96 A)
&rst
ixpk= 98, nxpk= 15, iat=1406,1404, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 VAL HB 89 VAL HN 3.50 (# 99:15 Unique 2.36, 2.42 A)
&rst
ixpk= 99, nxpk= 15, iat=1408,1404, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:100 89 VAL HN 4.50 (# 100:15 Single Ambig)
&rst
ixpk= 100, nxpk= 15, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1389, 289, 290,
&end
#
# 89 VAL QG+ 89 VAL HN 3.50 (# 101:15 Unique 2.42, 3.93 A)
&rst
ixpk= 101, nxpk= 15, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1410,1411,1412,1414,1415,1416,
&end
#
# 89 VAL QG- 89 VAL HN 2.80 (# 102:15 Unique 2.42, 3.93 A)
&rst
ixpk= 102, nxpk= 15, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1410,1411,1412,1414,1415,1416,
&end
#
# 88 ILE QG2 89 VAL HN 3.50 (# 103:15 Unique 3.03, 3.66 A)
&rst
ixpk= 103, nxpk= 15, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1391,1392,1393,
&end
#
# 0 AMB 15-2:104 4 TYR HN 5.50 (# 104:15 Single Ambig)
&rst
ixpk= 104, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 78, 52, 53,
&end
#
# 0 AMB 15-2:105 4 TYR HN 5.50 (# 105:15 Single Ambig)
&rst
ixpk= 105, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 40, 743,
&end
#
# 46 ALA HA 46 ALA HN 3.50 (# 106:15 Unique 2.96, 2.98 A)
&rst
ixpk= 106, nxpk= 15, iat= 764, 762, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 LEU HA 46 ALA HN 2.80 (# 107:15 Unique 2.19, 2.24 A)
&rst
ixpk= 107, nxpk= 15, iat= 745, 762, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:108 46 ALA HN 5.50 (# 108:15 Single Ambig)
&rst
ixpk= 108, nxpk= 15, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 750, 730, 731, 732,
&end
#
# 46 ALA QB 46 ALA HN 3.50 (# 109:15 Unique 2.60, 3.26 A)
&rst
ixpk= 109, nxpk= 15, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 766, 767, 768,
&end
#
# 45 LEU QD- 46 ALA HN 4.50 (# 110:15 Unique 2.34, 4.64 A)
&rst
ixpk= 110, nxpk= 15, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 752, 753, 754, 756, 757, 758,
&end
#
# 45 LEU QD+ 46 ALA HN 4.50 (# 111:15 Unique 2.34, 4.64 A)
&rst
ixpk= 111, nxpk= 15, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 752, 753, 754, 756, 757, 758,
&end
#
# 45 LEU HN 46 ALA HN 5.50 (# 112:15 Unique 3.86, 4.06 A)
&rst
ixpk= 112, nxpk= 15, iat= 743, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 VAL QG+ 89 VAL HN 4.50 (# 113:15 Unique 3.49, 5.04 A)
&rst
ixpk= 113, nxpk= 15, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 15-2:114 4 TYR HN 4.50 (# 114:15 Single Ambig)
&rst
ixpk= 114, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 65, 74, 52, 53,
&end
#
# 3 GLN HB3 4 TYR HN 5.50 (# 115:15 Unique 3.56, 3.75 A)
&rst
ixpk= 115, nxpk= 15, iat= 45, 57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ALA HN 4 TYR HN 4.50 (# 116:15 Unique 2.76, 2.83 A)
&rst
ixpk= 116, nxpk= 15, iat= 762, 57, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 TYR HA 4 TYR HN 3.50 (# 117:15 Unique 2.93, 2.94 A)
&rst
ixpk= 117, nxpk= 15, iat= 59, 57, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 GLN HA 4 TYR HN 2.80 (# 119:15 Unique 2.30, 2.35 A)
&rst
ixpk= 119, nxpk= 15, iat= 42, 57, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 TYR HB2 4 TYR HN 4.50 (# 120:15 Unique 3.88, 3.91 A)
&rst
ixpk= 120, nxpk= 15, iat= 61, 57, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 TYR HB3 4 TYR HN 5.50 (# 121:15 Unique 3.50, 3.58 A)
&rst
ixpk= 121, nxpk= 15, iat= 62, 57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 GLN HG- 4 TYR HN 4.50 (# 122:15 Unique 2.37, 2.97 A)
&rst
ixpk= 122, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 47, 48,
&end
#
# 0 AMB 15-2:123 4 TYR HN 5.50 (# 123:15 Single Ambig)
&rst
ixpk= 123, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 44,1281,1282,
&end
#
# 3 GLN HG+ 4 TYR HN 4.50 (# 124:15 Unique 2.37, 2.97 A)
&rst
ixpk= 124, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 47, 48,
&end
#
# 0 AMB 15-2:125 4 TYR HN 5.50 (# 125:15 Single Ambig)
&rst
ixpk= 125, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 766, 767, 768, 30, 31, 32, 34, 35, 36, 30,
31, 32, 34, 35, 36,
&end
#
# 53 LEU QD+ 4 TYR HN 4.50 (# 126:15 Unique 3.00, 4.72 A)
&rst
ixpk= 126, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 53 LEU QD- 4 TYR HN 4.50 (# 127:15 Unique 3.00, 4.72 A)
&rst
ixpk= 127, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 76 GLU HA 76 GLU HN 4.50 (# 128:15 Unique 2.93, 2.97 A)
&rst
ixpk= 128, nxpk= 15, iat=1196,1194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 THR HA 76 GLU HN 2.80 (# 130:15 Unique 2.33, 2.43 A)
&rst
ixpk= 130, nxpk= 15, iat=1182,1194, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 76 GLU QB 76 GLU HN 2.80 (# 131:15 Unique 2.29, 3.14 A)
&rst
ixpk= 131, nxpk= 15, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1198,1199,
&end
#
# 75 THR QG2 76 GLU HN 4.50 (# 132:15 Unique 2.17, 3.23 A)
&rst
ixpk= 132, nxpk= 15, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1186,1187,1188,
&end
#
# 8 VAL HN 7 ILE HN 4.50 (# 133:15 Unique 4.34, 4.38 A)
&rst
ixpk= 133, nxpk= 15, iat= 140, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 SER HN 7 ILE HN 3.50 (# 134:15 Unique 2.76, 2.79 A)
&rst
ixpk= 134, nxpk= 15, iat=1153, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 ILE HA 7 ILE HN 2.80 (# 135:15 Unique 2.21, 2.24 A)
&rst
ixpk= 135, nxpk= 15, iat= 104, 121, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 VAL HA 7 ILE HN 4.50 (# 136:15 Unique 3.71, 3.77 A)
&rst
ixpk= 136, nxpk= 15, iat=1166, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 SER QB 7 ILE HN 4.50 (# 137:15 Unique 3.09, 3.87 A)
&rst
ixpk= 137, nxpk= 15, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1157,1158,
&end
#
# 7 ILE HB 7 ILE HN 4.50 (# 138:15 Unique 2.63, 2.72 A)
&rst
ixpk= 138, nxpk= 15, iat= 125, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 ILE QG2 7 ILE HN 2.80 (# 141:15 Unique 2.71, 3.27 A)
&rst
ixpk= 141, nxpk= 15, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 108, 109, 110,
&end
#
# 6 ILE HN 7 ILE HN 4.50 (# 142:15 Unique 4.34, 4.36 A)
&rst
ixpk= 142, nxpk= 15, iat= 102, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 THR HB 76 GLU HN 5.50 (# 144:15 Unique 2.85, 3.44 A)
&rst
ixpk= 144, nxpk= 15, iat=1184,1194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 VAL QG+ 76 GLU HN 4.50 (# 145:15 Unique 4.59, 6.89 A)
&rst
ixpk= 145, nxpk= 15, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1170,1171,1172,1174,1175,1176,
&end
#
# 0 AMB 15-2:146 44 ILE HN 4.50 (# 146:15 Single Ambig)
&rst
ixpk= 146, nxpk= 15, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 134, 135, 136, 127, 128, 129,
&end
#
# 6 ILE HN 44 ILE HN 3.50 (# 147:15 Unique 2.71, 2.79 A)
&rst
ixpk= 147, nxpk= 15, iat= 102, 724, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 GLU HA 44 ILE HN 2.80 (# 148:15 Unique 2.17, 2.18 A)
&rst
ixpk= 148, nxpk= 15, iat= 711, 724, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 ILE HA 44 ILE HN 5.50 (# 149:15 Unique 3.60, 3.63 A)
&rst
ixpk= 149, nxpk= 15, iat= 123, 724, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:150 0 AMB 15-1:150 4.50 (# 150:15 Double Ambig)
&rst
ixpk= 150, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 713, 714, 713, 714,
igr2= 578, 724,
&end
#
# 43 GLU HB- 0 AMB 15-1:151 4.50 (# 151:15 Single Ambig)
&rst
ixpk= 151, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 713, 714,
igr2= 578, 724,
&end
#
# 0 AMB 15-2:152 44 ILE HN 2.80 (# 152:15 Single Ambig)
&rst
ixpk= 152, nxpk= 15, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 728, 106,
&end
#
# 44 ILE QD1 44 ILE HN 3.50 (# 153:15 Unique 2.45, 3.36 A)
&rst
ixpk= 153, nxpk= 15, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 737, 738, 739,
&end
#
# 74 VAL HA 74 VAL HN 4.50 (# 155:15 Unique 2.95, 2.97 A)
&rst
ixpk= 155, nxpk= 15, iat=1166,1164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 SER QB 74 VAL HN 4.50 (# 156:15 Unique 3.02, 3.64 A)
&rst
ixpk= 156, nxpk= 15, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1157,1158,
&end
#
# 74 VAL HB 74 VAL HN 2.80 (# 157:15 Unique 2.59, 2.71 A)
&rst
ixpk= 157, nxpk= 15, iat=1168,1164, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 VAL QG- 74 VAL HN 2.80 (# 158:15 Unique 2.00, 4.06 A)
&rst
ixpk= 158, nxpk= 15, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1170,1171,1172,1174,1175,1176,
&end
#
# 74 VAL QG+ 74 VAL HN 4.50 (# 159:15 Unique 2.00, 4.06 A)
&rst
ixpk= 159, nxpk= 15, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1170,1171,1172,1174,1175,1176,
&end
#
# 43 GLU HN 0 AMB 15-1:160 3.50 (# 160:15 Single Ambig)
&rst
ixpk= 160, nxpk= 15, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 578, 724,
&end
#
# 0 AMB 15-2:161 0 AMB 15-1:161 4.50 (# 161:15 Double Ambig)
&rst
ixpk= 161, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 743,1404,
igr2= 724, 578,
&end
#
# 33 TRP HD1 0 AMB 15-1:162 3.50 (# 162:15 Single Ambig)
&rst
ixpk= 162, nxpk= 15, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 578, 724,
&end
#
# 34 VAL HA 35 LYS HN 2.80 (# 164:15 Unique 2.21, 2.23 A)
&rst
ixpk= 164, nxpk= 15, iat= 564, 578, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:165 0 AMB 15-1:165 3.50 (# 165:15 Double Ambig)
&rst
ixpk= 165, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 580, 726,
igr2= 578, 724,
&end
#
# 43 GLU HG+ 44 ILE HN 3.50 (# 166:15 Unique 2.34, 2.91 A)
&rst
ixpk= 166, nxpk= 15, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 716, 717,
&end
#
# 35 LYS HB3 35 LYS HN 4.50 (# 167:15 Unique 3.14, 3.23 A)
&rst
ixpk= 167, nxpk= 15, iat= 583, 578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 LYS HG+ 35 LYS HN 4.50 (# 168:15 Unique 2.29, 2.94 A)
&rst
ixpk= 168, nxpk= 15, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 585, 586,
&end
#
# 0 AMB 15-2:169 0 AMB 15-1:169 2.80 (# 169:15 Double Ambig)
&rst
ixpk= 169, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 568, 569, 570, 572, 573, 574, 699, 700, 701, 703,
704, 705, 734, 735, 699, 700, 701, 703, 704, 705,
igr2= 578, 724,
&end
#
# 91 SER HN 90 TYR HN 4.50 (# 170:15 Unique 1.98, 2.56 A)
&rst
ixpk= 170, nxpk= 15, iat=1441,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 TYR QD 90 TYR HN 3.50 (# 171:15 Unique 4.57, 4.72 A)
&rst
ixpk= 171, nxpk= 15, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1428,1437,
&end
#
# 90 TYR HA 90 TYR HN 3.50 (# 172:15 Unique 2.83, 2.88 A)
&rst
ixpk= 172, nxpk= 15, iat=1422,1420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 VAL HA 90 TYR HN 2.80 (# 174:15 Unique 2.19, 2.25 A)
&rst
ixpk= 174, nxpk= 15, iat=1406,1420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 90 TYR HB2 90 TYR HN 4.50 (# 175:15 Unique 2.40, 2.52 A)
&rst
ixpk= 175, nxpk= 15, iat=1424,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 TYR HB3 90 TYR HN 4.50 (# 176:15 Unique 2.43, 2.48 A)
&rst
ixpk= 176, nxpk= 15, iat=1425,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 VAL QG- 90 TYR HN 4.50 (# 177:15 Unique 2.78, 4.29 A)
&rst
ixpk= 177, nxpk= 15, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1410,1411,1412,1414,1415,1416,
&end
#
# 34 VAL QG+ 35 LYS HN 4.50 (# 178:15 Unique 2.57, 4.07 A)
&rst
ixpk= 178, nxpk= 15, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 568, 569, 570, 572, 573, 574,
&end
#
# 70 THR HN 9 ASP HN 5.50 (# 179:15 Unique 3.64, 3.81 A)
&rst
ixpk= 179, nxpk= 15, iat=1108, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 VAL HN 9 ASP HN 5.50 (# 181:15 Unique 4.33, 4.36 A)
&rst
ixpk= 181, nxpk= 15, iat= 140, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ASP HN 9 ASP HN 3.50 (# 183:15 Unique 2.74, 2.88 A)
&rst
ixpk= 183, nxpk= 15, iat=1122, 156, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:184 9 ASP HN 3.50 (# 184:15 Single Ambig)
&rst
ixpk= 184, nxpk= 15, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 158,1136,
&end
#
# 8 VAL HA 9 ASP HN 2.80 (# 185:15 Unique 2.17, 2.23 A)
&rst
ixpk= 185, nxpk= 15, iat= 142, 156, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:186 9 ASP HN 3.50 (# 186:15 Single Ambig)
&rst
ixpk= 186, nxpk= 15, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 161,1126,1127,
&end
#
# 9 ASP HB2 9 ASP HN 3.50 (# 187:15 Unique 2.81, 2.97 A)
&rst
ixpk= 187, nxpk= 15, iat= 160, 156, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 VAL HB 9 ASP HN 4.50 (# 188:15 Unique 3.82, 3.90 A)
&rst
ixpk= 188, nxpk= 15, iat= 144, 156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 VAL QG+ 9 ASP HN 4.50 (# 189:15 Unique 2.48, 4.23 A)
&rst
ixpk= 189, nxpk= 15, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 146, 147, 148, 150, 151, 152,
&end
#
# 0 AMB 15-2:190 9 ASP HN 4.50 (# 190:15 Single Ambig)
&rst
ixpk= 190, nxpk= 15, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
1103,1104,1098,1099,1100,1102,1103,1104,
&end
#
# 0 AMB 15-2:191 9 ASP HN 4.50 (# 191:15 Single Ambig)
&rst
ixpk= 191, nxpk= 15, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1140,1141,1142, 127, 128, 129,
&end
#
# 87 SER HN 86 PHE HN 4.50 (# 194:15 Unique 4.15, 4.41 A)
&rst
ixpk= 194, nxpk= 15, iat=1374,1354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 PHE HA 86 PHE HN 4.50 (# 195:15 Unique 2.92, 2.97 A)
&rst
ixpk= 195, nxpk= 15, iat=1356,1354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 ARG HA 86 PHE HN 2.80 (# 196:15 Unique 2.43, 2.71 A)
&rst
ixpk= 196, nxpk= 15, iat=1332,1354, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 86 PHE HB3 86 PHE HN 3.50 (# 197:15 Unique 2.53, 2.71 A)
&rst
ixpk= 197, nxpk= 15, iat=1359,1354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 PHE HB2 86 PHE HN 3.50 (# 198:15 Unique 2.55, 2.81 A)
&rst
ixpk= 198, nxpk= 15, iat=1358,1354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 ARG QB 86 PHE HN 2.80 (# 199:15 Unique 1.88, 2.91 A)
&rst
ixpk= 199, nxpk= 15, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1334,1335,
&end
#
# 85 ARG HG+ 86 PHE HN 4.50 (# 200:15 Unique 2.67, 4.26 A)
&rst
ixpk= 200, nxpk= 15, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1337,1338,
&end
#
# 32 GLY HN 86 PHE HN 4.50 (# 201:15 Unique 4.17, 4.43 A)
&rst
ixpk= 201, nxpk= 15, iat= 531,1354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 ARG HG- 86 PHE HN 4.50 (# 202:15 Unique 2.67, 4.26 A)
&rst
ixpk= 202, nxpk= 15, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1337,1338,
&end
#
# 79 SER HN 80 LEU HN 4.50 (# 203:15 Unique 2.79, 3.32 A)
&rst
ixpk= 203, nxpk= 15, iat=1244,1255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:204 80 LEU HN 5.50 (# 204:15 Single Ambig)
&rst
ixpk= 204, nxpk= 15, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1227,1228,1224,1225,
&end
#
# 79 SER HA 80 LEU HN 2.80 (# 208:15 Unique 2.37, 3.06 A)
&rst
ixpk= 208, nxpk= 15, iat=1246,1255, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 80 LEU HA 80 LEU HN 3.50 (# 209:15 Unique 2.10, 2.47 A)
&rst
ixpk= 209, nxpk= 15, iat=1257,1255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 SER HB2 80 LEU HN 5.50 (# 210:15 Unique 2.00, 3.53 A)
&rst
ixpk= 210, nxpk= 15, iat=1248,1255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 SER HB3 80 LEU HN 4.50 (# 211:15 Unique 3.14, 4.11 A)
&rst
ixpk= 211, nxpk= 15, iat=1249,1255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 LEU QB 80 LEU HN 3.50 (# 212:15 Unique 2.66, 3.34 A)
&rst
ixpk= 212, nxpk= 15, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1259,1260,
&end
#
# 80 LEU QD+ 80 LEU HN 4.50 (# 213:15 Unique 2.83, 5.17 A)
&rst
ixpk= 213, nxpk= 15, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1264,1265,1266,1268,1269,1270,
&end
#
# 53 LEU HG 52 ALA HN 5.50 (# 215:15 Unique 4.41, 4.65 A)
&rst
ixpk= 215, nxpk= 15, iat= 854, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 ASN HN 52 ALA HN 4.50 (# 216:15 Unique 2.26, 2.75 A)
&rst
ixpk= 216, nxpk= 15, iat= 823, 837, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 GLN HN 52 ALA HN 4.50 (# 217:15 Unique 3.64, 4.13 A)
&rst
ixpk= 217, nxpk= 15, iat= 866, 837, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU HN 52 ALA HN 3.50 (# 218:15 Unique 1.98, 2.50 A)
&rst
ixpk= 218, nxpk= 15, iat= 847, 837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:220 52 ALA HN 4.50 (# 220:15 Single Ambig)
&rst
ixpk= 220, nxpk= 15, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 825, 804,
&end
#
# 52 ALA HA 52 ALA HN 3.50 (# 221:15 Unique 2.86, 2.89 A)
&rst
ixpk= 221, nxpk= 15, iat= 839, 837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 ASN QB 52 ALA HN 4.50 (# 222:15 Unique 2.43, 3.37 A)
&rst
ixpk= 222, nxpk= 15, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 827, 828,
&end
#
# 49 PRO HG+ 52 ALA HN 4.50 (# 223:15 Unique 2.76, 3.80 A)
&rst
ixpk= 223, nxpk= 15, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 798, 799,
&end
#
# 49 PRO HG- 52 ALA HN 4.50 (# 224:15 Unique 2.76, 3.80 A)
&rst
ixpk= 224, nxpk= 15, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 798, 799,
&end
#
# 52 ALA QB 52 ALA HN 2.80 (# 225:15 Unique 2.48, 2.96 A)
&rst
ixpk= 225, nxpk= 15, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 841, 842, 843,
&end
#
# 30 LEU QD- 52 ALA HN 5.50 (# 226:15 Unique 5.20, 6.98 A)
&rst
ixpk= 226, nxpk= 15, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 511, 512, 513, 515, 516, 517,
&end
#
# 50 GLU HN 52 ALA HN 5.50 (# 227:15 Unique 4.40, 4.56 A)
&rst
ixpk= 227, nxpk= 15, iat= 808, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 GLN HE2+ 81 GLU HN 4.50 (# 228:15 Unique 4.41, 5.74 A)
&rst
ixpk= 228, nxpk= 15, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 52, 53,
&end
#
# 80 LEU HA 81 GLU HN 3.50 (# 229:15 Unique 2.14, 2.55 A)
&rst
ixpk= 229, nxpk= 15, iat=1257,1274, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 GLU HA 81 GLU HN 4.50 (# 230:15 Unique 2.73, 2.93 A)
&rst
ixpk= 230, nxpk= 15, iat=1276,1274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 GLU QB 81 GLU HN 3.50 (# 231:15 Unique 2.18, 3.07 A)
&rst
ixpk= 231, nxpk= 15, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1278,1279,
&end
#
# 80 LEU QB 81 GLU HN 3.50 (# 232:15 Unique 2.02, 3.13 A)
&rst
ixpk= 232, nxpk= 15, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1259,1260,
&end
#
# 80 LEU QD- 81 GLU HN 5.50 (# 233:15 Unique 1.78, 3.59 A)
&rst
ixpk= 233, nxpk= 15, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1264,1265,1266,1268,1269,1270,
&end
#
# 82 GLY HN 81 GLU HN 3.50 (# 234:15 Unique 2.40, 3.91 A)
&rst
ixpk= 234, nxpk= 15, iat=1289,1274, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 GLN HE2- 81 GLU HN 4.50 (# 235:15 Unique 4.41, 5.74 A)
&rst
ixpk= 235, nxpk= 15, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 52, 53,
&end
#
# 81 GLU HG- 81 GLU HN 4.50 (# 236:15 Unique 2.50, 4.24 A)
&rst
ixpk= 236, nxpk= 15, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1281,1282,
&end
#
# 26 ASP HN 25 ALA HN 4.50 (# 238:15 Unique 2.47, 2.60 A)
&rst
ixpk= 238, nxpk= 15, iat= 422, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 GLU HN 25 ALA HN 4.50 (# 239:15 Unique 2.70, 2.76 A)
&rst
ixpk= 239, nxpk= 15, iat= 397, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:240 25 ALA HN 5.50 (# 240:15 Single Ambig)
&rst
ixpk= 240, nxpk= 15, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 902, 910, 456,
&end
#
# 24 GLU HA 25 ALA HN 5.50 (# 241:15 Unique 3.55, 3.59 A)
&rst
ixpk= 241, nxpk= 15, iat= 399, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ALA HA 25 ALA HN 4.50 (# 242:15 Unique 2.80, 2.86 A)
&rst
ixpk= 242, nxpk= 15, iat= 414, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 GLU HB3 25 ALA HN 4.50 (# 243:15 Unique 3.56, 3.81 A)
&rst
ixpk= 243, nxpk= 15, iat= 402, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:244 25 ALA HN 4.50 (# 244:15 Single Ambig)
&rst
ixpk= 244, nxpk= 15, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 404, 405, 444, 445,
&end
#
# 25 ALA QB 25 ALA HN 2.80 (# 245:15 Unique 2.41, 2.90 A)
&rst
ixpk= 245, nxpk= 15, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 416, 417, 418,
&end
#
# 22 GLN HA 25 ALA HN 4.50 (# 247:15 Unique 3.18, 3.33 A)
&rst
ixpk= 247, nxpk= 15, iat= 365, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 VAL HA 25 ALA HN 4.50 (# 248:15 Unique 3.92, 4.09 A)
&rst
ixpk= 248, nxpk= 15, iat= 349, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 GLU HB2 25 ALA HN 3.50 (# 249:15 Unique 2.60, 2.94 A)
&rst
ixpk= 249, nxpk= 15, iat= 401, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 VAL QG+ 25 ALA HN 5.50 (# 250:15 Unique 4.44, 6.01 A)
&rst
ixpk= 250, nxpk= 15, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 353, 354, 355, 357, 358, 359,
&end
#
# 0 AMB 15-2:251 25 ALA HN 5.50 (# 251:15 Single Ambig)
&rst
ixpk= 251, nxpk= 15, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 404, 405, 730, 731, 732,
&end
#
# 49 PRO HA 50 GLU HN 3.50 (# 253:15 Unique 2.15, 2.21 A)
&rst
ixpk= 253, nxpk= 15, iat= 804, 808, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 GLU HA 50 GLU HN 4.50 (# 254:15 Unique 2.74, 2.76 A)
&rst
ixpk= 254, nxpk= 15, iat= 810, 808, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:255 50 GLU HN 2.80 (# 255:15 Single Ambig)
&rst
ixpk= 255, nxpk= 15, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 812, 813, 801, 802,
&end
#
# 87 SER HB3 87 SER HN 4.50 (# 258:15 Unique 3.54, 3.58 A)
&rst
ixpk= 258, nxpk= 15, iat=1379,1374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:260 50 GLU HN 4.50 (# 260:15 Single Ambig)
&rst
ixpk= 260, nxpk= 15, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 30, 31, 32, 34, 35, 36, 30, 31, 32, 34,
35, 36,
&end
#
# 0 AMB 15-2:261 50 GLU HN 4.50 (# 261:15 Single Ambig)
&rst
ixpk= 261, nxpk= 15, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 801, 802, 11, 12,
&end
#
# 0 AMB 15-2:262 50 GLU HN 5.50 (# 262:15 Single Ambig)
&rst
ixpk= 262, nxpk= 15, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 815, 816, 798, 799,
&end
#
# 32 GLY HN 87 SER HN 4.50 (# 264:15 Unique 3.58, 3.77 A)
&rst
ixpk= 264, nxpk= 15, iat= 531,1374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:265 87 SER HN 5.50 (# 265:15 Single Ambig)
&rst
ixpk= 265, nxpk= 15, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1385,1404,
&end
#
# 87 SER HB2 87 SER HN 4.50 (# 266:15 Unique 2.32, 2.38 A)
&rst
ixpk= 266, nxpk= 15, iat=1378,1374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 PHE HN 87 SER HN 5.50 (# 267:15 Unique 4.15, 4.41 A)
&rst
ixpk= 267, nxpk= 15, iat=1354,1374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 PHE HA 87 SER HN 2.80 (# 268:15 Unique 2.18, 2.22 A)
&rst
ixpk= 268, nxpk= 15, iat=1356,1374, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 87 SER HA 87 SER HN 3.50 (# 269:15 Unique 2.92, 2.97 A)
&rst
ixpk= 269, nxpk= 15, iat=1376,1374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 TRP HA 87 SER HN 3.50 (# 270:15 Unique 2.09, 2.28 A)
&rst
ixpk= 270, nxpk= 15, iat= 540,1374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:271 87 SER HN 4.50 (# 271:15 Single Ambig)
&rst
ixpk= 271, nxpk= 15, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 542, 543,1359,
&end
#
# 0 AMB 15-2:272 87 SER HN 4.50 (# 272:15 Single Ambig)
&rst
ixpk= 272, nxpk= 15, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 542, 543,1358,
&end
#
# 55 SER HN 56 PHE HN 3.50 (# 276:15 Unique 2.72, 2.75 A)
&rst
ixpk= 276, nxpk= 15, iat= 883, 894, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 GLU HN 56 PHE HN 5.50 (# 277:15 Unique 3.93, 4.08 A)
&rst
ixpk= 277, nxpk= 15, iat= 930, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 PHE QD 56 PHE HN 5.50 (# 278:15 Unique 2.36, 4.25 A)
&rst
ixpk= 278, nxpk= 15, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 902, 910,
&end
#
# 0 AMB 15-2:279 56 PHE HN 4.50 (# 279:15 Single Ambig)
&rst
ixpk= 279, nxpk= 15, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 885, 839,
&end
#
# 56 PHE HA 56 PHE HN 2.80 (# 280:15 Unique 2.83, 2.85 A)
&rst
ixpk= 280, nxpk= 15, iat= 896, 894, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 LEU HA 56 PHE HN 5.50 (# 281:15 Unique 2.84, 3.29 A)
&rst
ixpk= 281, nxpk= 15, iat= 849, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 PHE HB3 56 PHE HN 3.50 (# 282:15 Unique 2.46, 2.96 A)
&rst
ixpk= 282, nxpk= 15, iat= 899, 894, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 PHE HB2 56 PHE HN 3.50 (# 283:15 Unique 2.22, 2.37 A)
&rst
ixpk= 283, nxpk= 15, iat= 898, 894, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 76 GLU HA 0 AMB 15-1:285 5.50 (# 285:15 Single Ambig)
&rst
ixpk= 285, nxpk= 15, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 78,1180,
&end
#
# 4 TYR HB2 5 ARG HN 5.50 (# 286:15 Unique 2.34, 2.39 A)
&rst
ixpk= 286, nxpk= 15, iat= 61, 78, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:287 0 AMB 15-1:287 3.50 (# 287:15 Double Ambig)
&rst
ixpk= 287, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 80, 104,
igr2= 78,1180,
&end
#
# 0 AMB 15-2:289 0 AMB 15-1:289 5.50 (# 289:15 Double Ambig)
&rst
ixpk= 289, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1186,1187,1188, 920, 921, 922, 924, 925, 926,
igr2=1180, 78,
&end
#
# 74 VAL QG+ 75 THR HN 3.50 (# 290:15 Unique 2.59, 4.12 A)
&rst
ixpk= 290, nxpk= 15, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1170,1171,1172,1174,1175,1176,
&end
#
# 74 VAL HA 75 THR HN 2.80 (# 291:15 Unique 2.15, 2.17 A)
&rst
ixpk= 291, nxpk= 15, iat=1166,1180, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 ILE HN 0 AMB 15-1:293 4.50 (# 293:15 Single Ambig)
&rst
ixpk= 293, nxpk= 15, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 78,1180,
&end
#
# 4 TYR HN 5 ARG HN 4.50 (# 294:15 Unique 4.35, 4.38 A)
&rst
ixpk= 294, nxpk= 15, iat= 57, 78, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 TYR QD 5 ARG HN 5.50 (# 295:15 Unique 3.33, 4.62 A)
&rst
ixpk= 295, nxpk= 15, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 65, 74,
&end
#
# 4 TYR HA 5 ARG HN 2.80 (# 296:15 Unique 2.27, 2.30 A)
&rst
ixpk= 296, nxpk= 15, iat= 59, 78, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 TYR HB3 0 AMB 15-1:297 5.50 (# 297:15 Single Ambig)
&rst
ixpk= 297, nxpk= 15, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 78,1180,
&end
#
# 5 ARG HB3 0 AMB 15-1:298 3.50 (# 298:15 Single Ambig)
&rst
ixpk= 298, nxpk= 15, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 78,1180,
&end
#
# 0 AMB 15-2:299 0 AMB 15-1:299 2.80 (# 299:15 Double Ambig)
&rst
ixpk= 299, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 112, 113, 112, 113, 82,
igr2=1180, 78,
&end
#
# 6 ILE QD1 0 AMB 15-1:300 4.50 (# 300:15 Single Ambig)
&rst
ixpk= 300, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 115, 116, 117,
igr2= 78,1180,
&end
#
# 74 VAL HN 75 THR HN 5.50 (# 301:15 Unique 4.38, 4.45 A)
&rst
ixpk= 301, nxpk= 15, iat=1164,1180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 SER HN 78 ARG HN 3.50 (# 302:15 Unique 1.96, 2.25 A)
&rst
ixpk= 302, nxpk= 15, iat=1244,1220, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:304 78 ARG HN 4.50 (# 304:15 Single Ambig)
&rst
ixpk= 304, nxpk= 15, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1222,1246,
&end
#
# 77 SER HB+ 78 ARG HN 5.50 (# 305:15 Unique 2.54, 3.10 A)
&rst
ixpk= 305, nxpk= 15, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1213,1214,
&end
#
# 78 ARG HB+ 78 ARG HN 4.50 (# 306:15 Unique 2.44, 3.13 A)
&rst
ixpk= 306, nxpk= 15, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1224,1225,
&end
#
# 0 AMB 15-2:307 78 ARG HN 3.50 (# 307:15 Single Ambig)
&rst
ixpk= 307, nxpk= 15, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1224,1225,1227,1228,
&end
#
# 2 LEU HA 2 LEU HN 4.50 (# 310:15 Unique 2.90, 2.94 A)
&rst
ixpk= 310, nxpk= 15, iat= 23, 21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 PRO HA 2 LEU HN 4.50 (# 311:15 Unique 3.31, 3.50 A)
&rst
ixpk= 311, nxpk= 15, iat= 804, 21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 1 MET HA 2 LEU HN 4.50 (# 312:15 Unique 2.31, 2.45 A)
&rst
ixpk= 312, nxpk= 15, iat= 6, 21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 1 MET HB+ 2 LEU HN 4.50 (# 313:15 Unique 2.22, 3.15 A)
&rst
ixpk= 313, nxpk= 15, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 8, 9,
&end
#
# 2 LEU HB- 2 LEU HN 3.50 (# 315:15 Unique 2.61, 2.97 A)
&rst
ixpk= 315, nxpk= 15, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 25, 26,
&end
#
# 0 AMB 15-2:316 2 LEU HN 5.50 (# 316:15 Single Ambig)
&rst
ixpk= 316, nxpk= 15, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 30, 31, 32, 34, 35, 36, 30, 31, 32, 34,
35, 36,
&end
#
# 80 LEU QD- 2 LEU HN 4.50 (# 317:15 Unique 5.12, 8.37 A)
&rst
ixpk= 317, nxpk= 15, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1264,1265,1266,1268,1269,1270,
&end
#
# 53 LEU QD- 2 LEU HN 5.50 (# 318:15 Unique 3.51, 5.25 A)
&rst
ixpk= 318, nxpk= 15, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 35 LYS HB2 36 ASN HN 3.50 (# 322:15 Unique 2.45, 2.68 A)
&rst
ixpk= 322, nxpk= 15, iat= 582, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:323 36 ASN HN 4.50 (# 323:15 Single Ambig)
&rst
ixpk= 323, nxpk= 15, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
704, 705, 588, 589,
&end
#
# 35 LYS HB3 36 ASN HN 4.50 (# 324:15 Unique 3.88, 4.01 A)
&rst
ixpk= 324, nxpk= 15, iat= 583, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 TRP HB- 33 TRP HN 5.50 (# 326:15 Unique 3.39, 3.71 A)
&rst
ixpk= 326, nxpk= 15, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 542, 543,
&end
#
# 45 LEU HB+ 33 TRP HN 4.50 (# 327:15 Unique 2.87, 3.76 A)
&rst
ixpk= 327, nxpk= 15, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 747, 748,
&end
#
# 36 ASN HD2+ 36 ASN HN 5.50 (# 330:15 Unique 2.93, 4.85 A)
&rst
ixpk= 330, nxpk= 15, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 609, 610,
&end
#
# 36 ASN HA 36 ASN HN 4.50 (# 331:15 Unique 2.96, 2.99 A)
&rst
ixpk= 331, nxpk= 15, iat= 602, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 LYS HA 36 ASN HN 2.80 (# 332:15 Unique 2.33, 2.44 A)
&rst
ixpk= 332, nxpk= 15, iat= 580, 600, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 ARG HD+ 36 ASN HN 5.50 (# 333:15 Unique 2.55, 4.60 A)
&rst
ixpk= 333, nxpk= 15, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 292, 293,
&end
#
# 36 ASN HB+ 36 ASN HN 2.80 (# 334:15 Unique 2.22, 2.89 A)
&rst
ixpk= 334, nxpk= 15, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 604, 605,
&end
#
# 45 LEU HN 33 TRP HN 4.50 (# 336:15 Unique 2.55, 2.73 A)
&rst
ixpk= 336, nxpk= 15, iat= 743, 538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:337 33 TRP HN 5.50 (# 337:15 Single Ambig)
&rst
ixpk= 337, nxpk= 15, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1374, 562,
&end
#
# 32 GLY HA+ 33 TRP HN 2.80 (# 339:15 Unique 2.29, 2.62 A)
&rst
ixpk= 339, nxpk= 15, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 533, 534,
&end
#
# 33 TRP HB+ 33 TRP HN 5.50 (# 340:15 Unique 3.39, 3.71 A)
&rst
ixpk= 340, nxpk= 15, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 542, 543,
&end
#
# 32 GLY HA- 33 TRP HN 3.50 (# 341:15 Unique 2.29, 2.62 A)
&rst
ixpk= 341, nxpk= 15, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 533, 534,
&end
#
# 0 AMB 15-2:342 0 AMB 15-1:342 3.50 (# 342:15 Double Ambig)
&rst
ixpk= 342, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 205, 206, 207, 209, 210, 211, 752, 753, 754, 756,
757, 758,
igr2= 693, 538,
&end
#
# 45 LEU HB- 33 TRP HN 4.50 (# 343:15 Unique 2.87, 3.76 A)
&rst
ixpk= 343, nxpk= 15, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 747, 748,
&end
#
# 46 ALA HA 33 TRP HN 4.50 (# 345:15 Unique 3.60, 3.76 A)
&rst
ixpk= 345, nxpk= 15, iat= 764, 538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 SER HN 88 ILE HN 4.50 (# 349:15 Unique 4.35, 4.43 A)
&rst
ixpk= 349, nxpk= 15, iat=1374,1385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLN HE2+ 88 ILE HN 5.50 (# 350:15 Unique 6.79, 7.57 A)
&rst
ixpk= 350, nxpk= 15, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 375, 376,
&end
#
# 87 SER HA 88 ILE HN 2.80 (# 351:15 Unique 2.17, 2.22 A)
&rst
ixpk= 351, nxpk= 15, iat=1376,1385, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 ILE HA 88 ILE HN 3.50 (# 352:15 Unique 2.94, 2.95 A)
&rst
ixpk= 352, nxpk= 15, iat=1387,1385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 SER HB2 88 ILE HN 4.50 (# 353:15 Unique 4.27, 4.40 A)
&rst
ixpk= 353, nxpk= 15, iat=1378,1385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 ILE HG1- 88 ILE HN 3.50 (# 354:15 Unique 2.42, 3.20 A)
&rst
ixpk= 354, nxpk= 15, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1395,1396,
&end
#
# 88 ILE HB 88 ILE HN 2.80 (# 355:15 Unique 2.42, 2.46 A)
&rst
ixpk= 355, nxpk= 15, iat=1389,1385, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 ILE QD1 88 ILE HN 4.50 (# 356:15 Unique 3.68, 4.42 A)
&rst
ixpk= 356, nxpk= 15, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1398,1399,1400,
&end
#
# 88 ILE HG1+ 88 ILE HN 4.50 (# 357:15 Unique 2.42, 3.20 A)
&rst
ixpk= 357, nxpk= 15, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1395,1396,
&end
#
# 88 ILE QG2 88 ILE HN 5.50 (# 358:15 Unique 4.34, 4.57 A)
&rst
ixpk= 358, nxpk= 15, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1391,1392,1393,
&end
#
# 22 GLN HE2- 88 ILE HN 5.50 (# 359:15 Unique 6.79, 7.57 A)
&rst
ixpk= 359, nxpk= 15, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 375, 376,
&end
#
# 33 TRP HA 88 ILE HN 5.50 (# 360:15 Unique 5.06, 5.15 A)
&rst
ixpk= 360, nxpk= 15, iat= 540,1385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 SER HB3 88 ILE HN 4.50 (# 361:15 Unique 3.38, 3.60 A)
&rst
ixpk= 361, nxpk= 15, iat=1379,1385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:365 0 AMB 15-1:365 5.50 (# 365:15 Double Ambig)
&rst
ixpk= 365, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 709, 762,
igr2= 693, 538,
&end
#
# 41 ARG HN 42 VAL HN 5.50 (# 366:15 Unique 4.56, 4.60 A)
&rst
ixpk= 366, nxpk= 15, iat= 669, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 ARG HA 42 VAL HN 2.80 (# 367:15 Unique 2.32, 2.42 A)
&rst
ixpk= 367, nxpk= 15, iat= 671, 693, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 42 VAL HB 42 VAL HN 2.80 (# 368:15 Unique 2.45, 2.56 A)
&rst
ixpk= 368, nxpk= 15, iat= 697, 693, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 41 ARG HG+ 42 VAL HN 5.50 (# 369:15 Unique 3.35, 4.03 A)
&rst
ixpk= 369, nxpk= 15, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 676, 677,
&end
#
# 0 AMB 15-2:370 0 AMB 15-1:370 3.50 (# 370:15 Double Ambig)
&rst
ixpk= 370, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 699, 700, 701, 703, 704, 705, 730, 731, 732,
igr2= 693, 538,
&end
#
# 7 ILE QG2 42 VAL HN 4.50 (# 371:15 Unique 3.79, 4.49 A)
&rst
ixpk= 371, nxpk= 15, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 127, 128, 129,
&end
#
# 8 VAL HN 42 VAL HN 3.50 (# 372:15 Unique 2.60, 2.69 A)
&rst
ixpk= 372, nxpk= 15, iat= 140, 693, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:373 42 VAL HN 5.50 (# 373:15 Single Ambig)
&rst
ixpk= 373, nxpk= 15, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 679, 680, 624, 625,
&end
#
# 8 VAL HB 42 VAL HN 4.50 (# 374:15 Unique 3.01, 3.35 A)
&rst
ixpk= 374, nxpk= 15, iat= 144, 693, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 VAL QG+ 88 ILE HN 5.50 (# 375:15 Unique 4.38, 6.70 A)
&rst
ixpk= 375, nxpk= 15, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 15-2:376 0 AMB 15-1:376 4.50 (# 376:15 Double Ambig)
&rst
ixpk= 376, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1= 146, 147, 148, 150, 151, 152, 737, 738, 739, 353,
354, 355, 357, 358, 359,1098,1099,1100,1102,1103,
1104,
igr2= 693, 538,
&end
#
# 90 TYR HN 91 SER HN 4.50 (# 379:15 Unique 1.98, 2.56 A)
&rst
ixpk= 379, nxpk= 15, iat=1420,1441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 TYR HA 91 SER HN 3.50 (# 381:15 Unique 3.41, 3.51 A)
&rst
ixpk= 381, nxpk= 15, iat=1422,1441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 SER HA 91 SER HN 3.50 (# 382:15 Unique 2.67, 2.77 A)
&rst
ixpk= 382, nxpk= 15, iat=1443,1441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 VAL HA 91 SER HN 5.50 (# 383:15 Unique 3.65, 4.08 A)
&rst
ixpk= 383, nxpk= 15, iat=1406,1441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 SER QB 91 SER HN 4.50 (# 384:15 Unique 2.55, 3.08 A)
&rst
ixpk= 384, nxpk= 15, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1445,1446,
&end
#
# 90 TYR HB2 91 SER HN 5.50 (# 385:15 Unique 3.89, 4.03 A)
&rst
ixpk= 385, nxpk= 15, iat=1424,1441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 VAL QG+ 91 SER HN 4.50 (# 386:15 Unique 1.98, 4.49 A)
&rst
ixpk= 386, nxpk= 15, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1410,1411,1412,1414,1415,1416,
&end
#
# 90 TYR HB3 91 SER HN 4.50 (# 387:15 Unique 2.64, 2.89 A)
&rst
ixpk= 387, nxpk= 15, iat=1425,1441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 VAL QG- 91 SER HN 5.50 (# 388:15 Unique 1.98, 4.49 A)
&rst
ixpk= 388, nxpk= 15, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1410,1411,1412,1414,1415,1416,
&end
#
# 6 ILE HA 73 SER HN 4.50 (# 389:15 Unique 4.42, 4.50 A)
&rst
ixpk= 389, nxpk= 15, iat= 104,1153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 ILE HA 73 SER HN 2.80 (# 390:15 Unique 2.22, 2.24 A)
&rst
ixpk= 390, nxpk= 15, iat=1136,1153, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 SER QB 73 SER HN 3.50 (# 391:15 Unique 2.57, 3.20 A)
&rst
ixpk= 391, nxpk= 15, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1157,1158,
&end
#
# 7 ILE HB 73 SER HN 5.50 (# 392:15 Unique 3.36, 3.49 A)
&rst
ixpk= 392, nxpk= 15, iat= 125,1153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:393 73 SER HN 4.50 (# 393:15 Single Ambig)
&rst
ixpk= 393, nxpk= 15, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1138, 112, 113,
&end
#
# 72 ILE HG1+ 73 SER HN 5.50 (# 394:15 Unique 2.34, 2.71 A)
&rst
ixpk= 394, nxpk= 15, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1144,1145,
&end
#
# 37 ARG HB2 37 ARG HN 3.50 (# 395:15 Unique 2.21, 2.29 A)
&rst
ixpk= 395, nxpk= 15, iat= 618, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ARG HG- 37 ARG HN 5.50 (# 397:15 Unique 2.68, 3.41 A)
&rst
ixpk= 397, nxpk= 15, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 621, 622,
&end
#
# 0 AMB 15-2:398 37 ARG HN 5.50 (# 398:15 Single Ambig)
&rst
ixpk= 398, nxpk= 15, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 709, 600,
&end
#
# 13 GLN HE2- 37 ARG HN 4.50 (# 399:15 Unique 4.49, 7.33 A)
&rst
ixpk= 399, nxpk= 15, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 227, 228,
&end
#
# 36 ASN HA 37 ARG HN 2.80 (# 400:15 Unique 2.15, 2.22 A)
&rst
ixpk= 400, nxpk= 15, iat= 602, 614, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 37 ARG HA 37 ARG HN 4.50 (# 402:15 Unique 2.94, 2.96 A)
&rst
ixpk= 402, nxpk= 15, iat= 616, 614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ARG HB3 37 ARG HN 4.50 (# 404:15 Unique 3.51, 3.55 A)
&rst
ixpk= 404, nxpk= 15, iat= 619, 614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:405 37 ARG HN 4.50 (# 405:15 Single Ambig)
&rst
ixpk= 405, nxpk= 15, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 699, 700, 701, 703, 704, 705, 588, 589, 131, 132,
&end
#
# 13 GLN HE2+ 37 ARG HN 4.50 (# 406:15 Unique 4.49, 7.33 A)
&rst
ixpk= 406, nxpk= 15, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 227, 228,
&end
#
# 90 TYR QD 91 SER HN 5.50 (# 407:15 Unique 3.71, 4.89 A)
&rst
ixpk= 407, nxpk= 15, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1428,1437,
&end
#
# 47 GLU HN 31 ALA HN 3.50 (# 408:15 Unique 2.65, 2.83 A)
&rst
ixpk= 408, nxpk= 15, iat= 772, 521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 GLY HN 31 ALA HN 5.50 (# 409:15 Unique 4.38, 4.44 A)
&rst
ixpk= 409, nxpk= 15, iat= 531, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ALA HA 31 ALA HN 4.50 (# 410:15 Unique 4.29, 4.46 A)
&rst
ixpk= 410, nxpk= 15, iat= 764, 521, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 ALA HA 31 ALA HN 4.50 (# 411:15 Unique 2.94, 2.96 A)
&rst
ixpk= 411, nxpk= 15, iat= 523, 521, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 LEU HA 31 ALA HN 2.80 (# 412:15 Unique 2.40, 2.46 A)
&rst
ixpk= 412, nxpk= 15, iat= 504, 521, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 LEU HG 31 ALA HN 5.50 (# 414:15 Unique 4.81, 4.91 A)
&rst
ixpk= 414, nxpk= 15, iat= 509, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ALA QB 31 ALA HN 2.80 (# 415:15 Unique 2.61, 3.31 A)
&rst
ixpk= 415, nxpk= 15, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 525, 526, 527,
&end
#
# 30 LEU HB2 31 ALA HN 5.50 (# 416:15 Unique 3.29, 3.42 A)
&rst
ixpk= 416, nxpk= 15, iat= 506, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 LEU HB3 31 ALA HN 5.50 (# 417:15 Unique 2.14, 2.27 A)
&rst
ixpk= 417, nxpk= 15, iat= 507, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 LEU QD- 31 ALA HN 4.50 (# 418:15 Unique 3.61, 4.85 A)
&rst
ixpk= 418, nxpk= 15, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 511, 512, 513, 515, 516, 517,
&end
#
# 30 LEU QD+ 31 ALA HN 5.50 (# 419:15 Unique 3.61, 4.85 A)
&rst
ixpk= 419, nxpk= 15, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 511, 512, 513, 515, 516, 517,
&end
#
# 60 VAL QG2 59 ALA HN 5.50 (# 420:15 Unique 4.59, 5.62 A)
&rst
ixpk= 420, nxpk= 15, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 965, 966, 967,
&end
#
# 60 VAL HN 59 ALA HN 2.80 (# 421:15 Unique 2.64, 2.69 A)
&rst
ixpk= 421, nxpk= 15, iat= 955, 945, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 58 GLU HN 59 ALA HN 3.50 (# 422:15 Unique 2.76, 2.80 A)
&rst
ixpk= 422, nxpk= 15, iat= 930, 945, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 ALA HA 59 ALA HN 2.80 (# 423:15 Unique 2.85, 2.86 A)
&rst
ixpk= 423, nxpk= 15, iat= 947, 945, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 56 PHE HA 59 ALA HN 4.50 (# 424:15 Unique 2.91, 3.09 A)
&rst
ixpk= 424, nxpk= 15, iat= 896, 945, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:425 0 AMB 15-1:425 4.50 (# 425:15 Double Ambig)
&rst
ixpk= 425, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 932, 284,
igr2= 945, 327,
&end
#
# 58 GLU HG- 59 ALA HN 5.50 (# 426:15 Unique 4.43, 4.79 A)
&rst
ixpk= 426, nxpk= 15, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 937, 938,
&end
#
# 59 ALA QB 59 ALA HN 2.80 (# 428:15 Unique 2.46, 2.89 A)
&rst
ixpk= 428, nxpk= 15, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 949, 950, 951,
&end
#
# 27 LYS HN 26 ASP HN 3.50 (# 431:15 Unique 2.77, 2.81 A)
&rst
ixpk= 431, nxpk= 15, iat= 434, 422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:432 26 ASP HN 4.50 (# 432:15 Single Ambig)
&rst
ixpk= 432, nxpk= 15, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 456, 375, 376,
&end
#
# 26 ASP HA 26 ASP HN 3.50 (# 433:15 Unique 2.78, 2.79 A)
&rst
ixpk= 433, nxpk= 15, iat= 424, 422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 MET HA 26 ASP HN 4.50 (# 434:15 Unique 3.11, 3.15 A)
&rst
ixpk= 434, nxpk= 15, iat= 382, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 ASP HB2 26 ASP HN 2.80 (# 435:15 Unique 2.28, 2.40 A)
&rst
ixpk= 435, nxpk= 15, iat= 426, 422, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 GLN QG 26 ASP HN 5.50 (# 436:15 Unique 4.35, 5.31 A)
&rst
ixpk= 436, nxpk= 15, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 370, 371,
&end
#
# 25 ALA QB 26 ASP HN 2.80 (# 437:15 Unique 2.52, 3.38 A)
&rst
ixpk= 437, nxpk= 15, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 416, 417, 418,
&end
#
# 25 ALA HN 26 ASP HN 4.50 (# 438:15 Unique 2.47, 2.60 A)
&rst
ixpk= 438, nxpk= 15, iat= 412, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 ALA HA 26 ASP HN 4.50 (# 439:15 Unique 3.53, 3.54 A)
&rst
ixpk= 439, nxpk= 15, iat= 414, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 ASP HB3 26 ASP HN 3.50 (# 440:15 Unique 2.59, 2.67 A)
&rst
ixpk= 440, nxpk= 15, iat= 427, 422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 ILE HN 73 SER HN 3.50 (# 442:15 Unique 2.76, 2.79 A)
&rst
ixpk= 442, nxpk= 15, iat= 121,1153, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 ILE HN 73 SER HN 5.50 (# 443:15 Unique 4.18, 4.21 A)
&rst
ixpk= 443, nxpk= 15, iat=1134,1153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:445 73 SER HN 4.50 (# 445:15 Single Ambig)
&rst
ixpk= 445, nxpk= 15, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 127, 128, 129,1140,1141,1142, 134, 135, 136,
&end
#
# 57 VAL HN 59 ALA HN 5.50 (# 448:15 Unique 4.02, 4.14 A)
&rst
ixpk= 448, nxpk= 15, iat= 914, 945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 GLU QB 59 ALA HN 3.50 (# 450:15 Unique 2.78, 3.33 A)
&rst
ixpk= 450, nxpk= 15, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 934, 935,
&end
#
# 0 AMB 15-2:452 73 SER HN 5.50 (# 452:15 Single Ambig)
&rst
ixpk= 452, nxpk= 15, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 146, 147, 148, 150, 151, 152, 112, 113,
&end
#
# 20 PHE HA 20 PHE HN 2.80 (# 455:15 Unique 2.82, 2.83 A)
&rst
ixpk= 455, nxpk= 15, iat= 329, 327, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 20 PHE HB+ 20 PHE HN 3.50 (# 456:15 Unique 2.36, 2.51 A)
&rst
ixpk= 456, nxpk= 15, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 331, 332,
&end
#
# 20 PHE HB- 20 PHE HN 3.50 (# 457:15 Unique 2.36, 2.51 A)
&rst
ixpk= 457, nxpk= 15, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 331, 332,
&end
#
# 21 VAL HN 20 PHE HN 3.50 (# 458:15 Unique 2.81, 2.82 A)
&rst
ixpk= 458, nxpk= 15, iat= 347, 327, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 TYR HB+ 20 PHE HN 4.50 (# 459:15 Unique 2.58, 3.28 A)
&rst
ixpk= 459, nxpk= 15, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 310, 311,
&end
#
# 70 THR HN 71 ASP HN 2.80 (# 460:15 Unique 1.96, 2.01 A)
&rst
ixpk= 460, nxpk= 15, iat=1108,1122, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 ASP HN 71 ASP HN 3.50 (# 461:15 Unique 2.74, 2.88 A)
&rst
ixpk= 461, nxpk= 15, iat= 156,1122, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 GLY HA+ 71 ASP HN 5.50 (# 462:15 Unique 4.21, 4.58 A)
&rst
ixpk= 462, nxpk= 15, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 170, 171,
&end
#
# 70 THR HA 71 ASP HN 4.50 (# 464:15 Unique 3.45, 3.51 A)
&rst
ixpk= 464, nxpk= 15, iat=1110,1122, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:466 71 ASP HN 3.50 (# 466:15 Single Ambig)
&rst
ixpk= 466, nxpk= 15, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 161,1126,1127,
&end
#
# 71 ASP HB- 71 ASP HN 4.50 (# 467:15 Unique 2.93, 3.23 A)
&rst
ixpk= 467, nxpk= 15, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1126,1127,
&end
#
# 8 VAL QG+ 71 ASP HN 5.50 (# 468:15 Unique 4.12, 6.06 A)
&rst
ixpk= 468, nxpk= 15, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 146, 147, 148, 150, 151, 152,
&end
#
# 0 AMB 15-2:469 71 ASP HN 4.50 (# 469:15 Single Ambig)
&rst
ixpk= 469, nxpk= 15, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 0 AMB 15-2:472 47 GLU HN 4.50 (# 472:15 Single Ambig)
&rst
ixpk= 472, nxpk= 15, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 533, 534, 47, 48,
&end
#
# 0 AMB 15-2:473 47 GLU HN 4.50 (# 473:15 Single Ambig)
&rst
ixpk= 473, nxpk= 15, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 511, 512, 513, 515, 516, 517, 752, 753, 754, 756,
757, 758,
&end
#
# 31 ALA HN 47 GLU HN 3.50 (# 474:15 Unique 2.65, 2.83 A)
&rst
ixpk= 474, nxpk= 15, iat= 521, 772, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 ALA HA 47 GLU HN 2.80 (# 475:15 Unique 2.22, 2.25 A)
&rst
ixpk= 475, nxpk= 15, iat= 764, 772, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 GLY HA+ 47 GLU HN 4.50 (# 476:15 Unique 3.53, 4.08 A)
&rst
ixpk= 476, nxpk= 15, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 533, 534,
&end
#
# 81 GLU HG+ 47 GLU HN 4.50 (# 478:15 Unique 4.49, 5.37 A)
&rst
ixpk= 478, nxpk= 15, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1281,1282,
&end
#
# 46 ALA QB 47 GLU HN 3.50 (# 480:15 Unique 2.52, 3.51 A)
&rst
ixpk= 480, nxpk= 15, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 766, 767, 768,
&end
#
# 12 VAL QG+ 68 LYS HN 5.50 (# 482:15 Unique 3.50, 5.45 A)
&rst
ixpk= 482, nxpk= 15, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 205, 206, 207, 209, 210, 211,
&end
#
# 67 SER HA 68 LYS HN 3.50 (# 483:15 Unique 2.31, 2.35 A)
&rst
ixpk= 483, nxpk= 15, iat=1061,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 LYS HA 68 LYS HN 4.50 (# 484:15 Unique 2.91, 2.93 A)
&rst
ixpk= 484, nxpk= 15, iat=1072,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 SER QB 68 LYS HN 3.50 (# 485:15 Unique 2.36, 2.99 A)
&rst
ixpk= 485, nxpk= 15, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1063,1064,
&end
#
# 11 ARG HB+ 68 LYS HN 4.50 (# 486:15 Unique 2.18, 3.24 A)
&rst
ixpk= 486, nxpk= 15, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 179, 180,
&end
#
# 0 AMB 15-2:487 68 LYS HN 3.50 (# 487:15 Single Ambig)
&rst
ixpk= 487, nxpk= 15, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 179, 180,1074,1075, 182, 183,
&end
#
# 11 ARG HN 68 LYS HN 4.50 (# 488:15 Unique 3.28, 3.35 A)
&rst
ixpk= 488, nxpk= 15, iat= 175,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 GLN HN 53 LEU HN 3.50 (# 489:15 Unique 2.76, 2.81 A)
&rst
ixpk= 489, nxpk= 15, iat= 866, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 SER HN 53 LEU HN 5.50 (# 490:15 Unique 4.38, 4.66 A)
&rst
ixpk= 490, nxpk= 15, iat= 883, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ALA HN 53 LEU HN 2.80 (# 491:15 Unique 1.98, 2.50 A)
&rst
ixpk= 491, nxpk= 15, iat= 837, 847, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 52 ALA HA 53 LEU HN 4.50 (# 492:15 Unique 3.51, 3.62 A)
&rst
ixpk= 492, nxpk= 15, iat= 839, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU HA 53 LEU HN 3.50 (# 494:15 Unique 2.77, 2.80 A)
&rst
ixpk= 494, nxpk= 15, iat= 849, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 GLU HA 53 LEU HN 4.50 (# 495:15 Unique 3.19, 3.34 A)
&rst
ixpk= 495, nxpk= 15, iat= 810, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:496 53 LEU HN 2.80 (# 496:15 Single Ambig)
&rst
ixpk= 496, nxpk= 15, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 851, 841, 842, 843,
&end
#
# 53 LEU HG 53 LEU HN 3.50 (# 497:15 Unique 2.50, 2.67 A)
&rst
ixpk= 497, nxpk= 15, iat= 854, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 LEU HB3 53 LEU HN 3.50 (# 498:15 Unique 1.98, 3.45 A)
&rst
ixpk= 498, nxpk= 15, iat= 852, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 LEU QD+ 53 LEU HN 4.50 (# 499:15 Unique 3.13, 4.48 A)
&rst
ixpk= 499, nxpk= 15, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 53 LEU QD- 53 LEU HN 4.50 (# 500:15 Unique 3.13, 4.48 A)
&rst
ixpk= 500, nxpk= 15, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 48 GLY HN 47 GLU HN 4.50 (# 501:15 Unique 4.22, 4.32 A)
&rst
ixpk= 501, nxpk= 15, iat= 787, 772, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU QD+ 47 GLU HN 5.50 (# 502:15 Unique 3.52, 5.32 A)
&rst
ixpk= 502, nxpk= 15, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 70 THR QG2 70 THR HN 3.50 (# 505:15 Unique 2.92, 3.71 A)
&rst
ixpk= 505, nxpk= 15, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1114,1115,1116,
&end
#
# 0 AMB 15-2:506 0 AMB 15-1:506 5.50 (# 506:15 Double Ambig)
&rst
ixpk= 506, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 856, 857, 858, 860, 861, 862, 205, 206, 207, 209,
210, 211,
igr2= 772,1108,
&end
#
# 11 ARG HN 70 THR HN 5.50 (# 507:15 Unique 4.38, 4.48 A)
&rst
ixpk= 507, nxpk= 15, iat= 175,1108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:508 70 THR HN 4.50 (# 508:15 Single Ambig)
&rst
ixpk= 508, nxpk= 15, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 156, 168,
&end
#
# 71 ASP HN 70 THR HN 2.80 (# 509:15 Unique 1.96, 2.01 A)
&rst
ixpk= 509, nxpk= 15, iat=1122,1108, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 10 GLY HA+ 70 THR HN 3.50 (# 510:15 Unique 2.42, 2.95 A)
&rst
ixpk= 510, nxpk= 15, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 170, 171,
&end
#
# 70 THR HA 70 THR HN 4.50 (# 511:15 Unique 2.97, 2.98 A)
&rst
ixpk= 511, nxpk= 15, iat=1110,1108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 VAL HA 70 THR HN 2.80 (# 512:15 Unique 2.18, 2.24 A)
&rst
ixpk= 512, nxpk= 15, iat=1094,1108, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 10 GLY HA- 70 THR HN 4.50 (# 513:15 Unique 2.42, 2.95 A)
&rst
ixpk= 513, nxpk= 15, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 170, 171,
&end
#
# 0 AMB 15-2:514 70 THR HN 3.50 (# 514:15 Single Ambig)
&rst
ixpk= 514, nxpk= 15, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 70 THR HB 70 THR HN 4.50 (# 515:15 Unique 3.66, 3.71 A)
&rst
ixpk= 515, nxpk= 15, iat=1112,1108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 PHE HB- 21 VAL HN 4.50 (# 516:15 Unique 2.53, 3.24 A)
&rst
ixpk= 516, nxpk= 15, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 331, 332,
&end
#
# 22 GLN HN 21 VAL HN 3.50 (# 517:15 Unique 2.81, 2.82 A)
&rst
ixpk= 517, nxpk= 15, iat= 363, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 PHE HN 21 VAL HN 4.50 (# 518:15 Unique 2.81, 2.82 A)
&rst
ixpk= 518, nxpk= 15, iat= 327, 347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 PHE HB+ 21 VAL HN 5.50 (# 519:15 Unique 2.53, 3.24 A)
&rst
ixpk= 519, nxpk= 15, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 331, 332,
&end
#
# 21 VAL QG+ 21 VAL HN 4.50 (# 520:15 Unique 2.22, 3.83 A)
&rst
ixpk= 520, nxpk= 15, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 353, 354, 355, 357, 358, 359,
&end
#
# 21 VAL QG- 21 VAL HN 3.50 (# 521:15 Unique 2.22, 3.83 A)
&rst
ixpk= 521, nxpk= 15, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 353, 354, 355, 357, 358, 359,
&end
#
# 17 PHE QE 21 VAL HN 5.50 (# 522:15 Unique 5.00, 6.06 A)
&rst
ixpk= 522, nxpk= 15, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 272, 276,
&end
#
# 19 TYR HA 21 VAL HN 5.50 (# 523:15 Unique 4.65, 4.70 A)
&rst
ixpk= 523, nxpk= 15, iat= 308, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 PHE HB- 21 VAL HN 4.50 (# 524:15 Unique 2.53, 3.24 A)
&rst
ixpk= 524, nxpk= 15, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 331, 332,
&end
#
# 21 VAL HA 21 VAL HN 4.50 (# 525:15 Unique 2.83, 2.84 A)
&rst
ixpk= 525, nxpk= 15, iat= 349, 347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 VAL HB 21 VAL HN 3.50 (# 526:15 Unique 2.28, 2.37 A)
&rst
ixpk= 526, nxpk= 15, iat= 351, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 SER HN 72 ILE HN 5.50 (# 528:15 Unique 4.18, 4.21 A)
&rst
ixpk= 528, nxpk= 15, iat=1153,1134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ILE HA 72 ILE HN 3.50 (# 530:15 Unique 2.87, 2.89 A)
&rst
ixpk= 530, nxpk= 15, iat=1136,1134, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 ASP HB+ 72 ILE HN 5.50 (# 532:15 Unique 3.56, 3.83 A)
&rst
ixpk= 532, nxpk= 15, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1126,1127,
&end
#
# 71 ASP HB- 72 ILE HN 5.50 (# 533:15 Unique 3.56, 3.83 A)
&rst
ixpk= 533, nxpk= 15, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1126,1127,
&end
#
# 72 ILE HB 72 ILE HN 4.50 (# 534:15 Unique 3.28, 3.50 A)
&rst
ixpk= 534, nxpk= 15, iat=1138,1134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:535 72 ILE HN 4.50 (# 535:15 Single Ambig)
&rst
ixpk= 535, nxpk= 15, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1144,1145,1098,1099,1100,1102,1103,1104,1098,1099,
1100,1102,1103,1104, 146, 147, 148, 150, 151, 152,
&end
#
# 72 ILE QG2 72 ILE HN 2.80 (# 536:15 Unique 2.55, 3.38 A)
&rst
ixpk= 536, nxpk= 15, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1140,1141,1142,
&end
#
# 26 ASP HN 27 LYS HN 3.50 (# 538:15 Unique 2.77, 2.81 A)
&rst
ixpk= 538, nxpk= 15, iat= 422, 434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 ARG HN 27 LYS HN 4.50 (# 540:15 Unique 2.83, 2.86 A)
&rst
ixpk= 540, nxpk= 15, iat= 456, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 ASP HA 27 LYS HN 4.50 (# 541:15 Unique 3.52, 3.55 A)
&rst
ixpk= 541, nxpk= 15, iat= 424, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 LYS HA 27 LYS HN 3.50 (# 542:15 Unique 2.79, 2.81 A)
&rst
ixpk= 542, nxpk= 15, iat= 436, 434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 GLU HA 27 LYS HN 4.50 (# 543:15 Unique 3.32, 3.63 A)
&rst
ixpk= 543, nxpk= 15, iat= 399, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:544 27 LYS HN 4.50 (# 544:15 Single Ambig)
&rst
ixpk= 544, nxpk= 15, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 426, 447, 448,
&end
#
# 26 ASP HB3 27 LYS HN 4.50 (# 545:15 Unique 2.45, 2.55 A)
&rst
ixpk= 545, nxpk= 15, iat= 427, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 LYS QB 27 LYS HN 2.80 (# 546:15 Unique 2.22, 3.03 A)
&rst
ixpk= 546, nxpk= 15, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 438, 439,
&end
#
# 27 LYS QG 27 LYS HN 2.80 (# 547:15 Unique 2.25, 3.18 A)
&rst
ixpk= 547, nxpk= 15, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 441, 442,
&end
#
# 25 ALA QB 27 LYS HN 5.50 (# 548:15 Unique 5.12, 5.66 A)
&rst
ixpk= 548, nxpk= 15, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 416, 417, 418,
&end
#
# 0 AMB 15-2:549 57 VAL HN 5.50 (# 549:15 Single Ambig)
&rst
ixpk= 549, nxpk= 15, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 945, 883,
&end
#
# 56 PHE HA 57 VAL HN 4.50 (# 550:15 Unique 3.59, 3.64 A)
&rst
ixpk= 550, nxpk= 15, iat= 896, 914, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 GLY HA+ 83 HIS HN 4.50 (# 553:15 Unique 2.72, 3.31 A)
&rst
ixpk= 553, nxpk= 15, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1291,1292,
&end
#
# 82 GLY HA- 83 HIS HN 3.50 (# 554:15 Unique 2.72, 3.31 A)
&rst
ixpk= 554, nxpk= 15, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1291,1292,
&end
#
# 31 ALA QB 83 HIS HN 4.50 (# 556:15 Unique 3.07, 4.12 A)
&rst
ixpk= 556, nxpk= 15, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 525, 526, 527,
&end
#
# 82 GLY HN 83 HIS HN 2.80 (# 557:15 Unique 1.79, 2.15 A)
&rst
ixpk= 557, nxpk= 15, iat=1289,1296, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 83 HIS HA 83 HIS HN 3.50 (# 559:15 Unique 2.64, 2.86 A)
&rst
ixpk= 559, nxpk= 15, iat=1298,1296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 HIS HB2 83 HIS HN 4.50 (# 560:15 Unique 2.37, 2.80 A)
&rst
ixpk= 560, nxpk= 15, iat=1300,1296, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 HIS HB3 83 HIS HN 5.50 (# 561:15 Unique 2.37, 2.67 A)
&rst
ixpk= 561, nxpk= 15, iat=1301,1296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 GLU QB 83 HIS HN 4.50 (# 562:15 Unique 2.32, 4.87 A)
&rst
ixpk= 562, nxpk= 15, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1278,1279,
&end
#
# 58 GLU HN 57 VAL HN 3.50 (# 563:15 Unique 2.65, 2.74 A)
&rst
ixpk= 563, nxpk= 15, iat= 930, 914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 PHE QD 57 VAL HN 5.50 (# 564:15 Unique 4.74, 5.11 A)
&rst
ixpk= 564, nxpk= 15, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 902, 910,
&end
#
# 54 GLN HA 57 VAL HN 4.50 (# 565:15 Unique 3.07, 3.27 A)
&rst
ixpk= 565, nxpk= 15, iat= 868, 914, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 PHE HB3 57 VAL HN 3.50 (# 566:15 Unique 2.81, 3.22 A)
&rst
ixpk= 566, nxpk= 15, iat= 899, 914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 VAL HA 57 VAL HN 3.50 (# 567:15 Unique 2.82, 2.84 A)
&rst
ixpk= 567, nxpk= 15, iat= 916, 914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 PHE HB2 57 VAL HN 5.50 (# 568:15 Unique 2.73, 3.57 A)
&rst
ixpk= 568, nxpk= 15, iat= 898, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 VAL HB 57 VAL HN 2.80 (# 569:15 Unique 2.38, 2.58 A)
&rst
ixpk= 569, nxpk= 15, iat= 918, 914, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 VAL QG+ 57 VAL HN 2.80 (# 571:15 Unique 2.19, 3.85 A)
&rst
ixpk= 571, nxpk= 15, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 0 AMB 15-2:572 57 VAL HN 4.50 (# 572:15 Single Ambig)
&rst
ixpk= 572, nxpk= 15, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 854, 115, 116, 117,
&end
#
# 57 VAL QG- 57 VAL HN 4.50 (# 573:15 Unique 2.19, 3.85 A)
&rst
ixpk= 573, nxpk= 15, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 86 PHE HN 85 ARG HN 4.50 (# 576:15 Unique 4.23, 4.31 A)
&rst
ixpk= 576, nxpk= 15, iat=1354,1330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 GLY HN 85 ARG HN 4.50 (# 577:15 Unique 3.49, 3.82 A)
&rst
ixpk= 577, nxpk= 15, iat= 531,1330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 ARG HG+ 85 ARG HN 4.50 (# 579:15 Unique 2.58, 3.80 A)
&rst
ixpk= 579, nxpk= 15, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1337,1338,
&end
#
# 85 ARG QD 85 ARG HN 4.50 (# 580:15 Unique 2.20, 4.38 A)
&rst
ixpk= 580, nxpk= 15, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1340,1341,
&end
#
# 85 ARG HG- 85 ARG HN 4.50 (# 581:15 Unique 2.58, 3.80 A)
&rst
ixpk= 581, nxpk= 15, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1337,1338,
&end
#
# 31 ALA QB 85 ARG HN 3.50 (# 582:15 Unique 2.25, 3.96 A)
&rst
ixpk= 582, nxpk= 15, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 525, 526, 527,
&end
#
# 22 GLN HB3 22 GLN HN 3.50 (# 584:15 Unique 2.22, 2.24 A)
&rst
ixpk= 584, nxpk= 15, iat= 368, 363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 VAL HN 22 GLN HN 3.50 (# 585:15 Unique 2.81, 2.82 A)
&rst
ixpk= 585, nxpk= 15, iat= 347, 363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 MET HN 24 GLU HN 3.50 (# 586:15 Unique 2.59, 2.61 A)
&rst
ixpk= 586, nxpk= 15, iat= 380, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 PHE QE 24 GLU HN 5.50 (# 587:15 Unique 4.08, 6.48 A)
&rst
ixpk= 587, nxpk= 15, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 904, 908,
&end
#
# 23 MET HG- 24 GLU HN 4.50 (# 588:15 Unique 3.63, 4.16 A)
&rst
ixpk= 588, nxpk= 15, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 387, 388,
&end
#
# 26 ASP HN 24 GLU HN 4.50 (# 590:15 Unique 3.97, 4.09 A)
&rst
ixpk= 590, nxpk= 15, iat= 422, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 ALA HN 24 GLU HN 4.50 (# 591:15 Unique 2.70, 2.76 A)
&rst
ixpk= 591, nxpk= 15, iat= 412, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 MET HA 24 GLU HN 4.50 (# 593:15 Unique 3.52, 3.55 A)
&rst
ixpk= 593, nxpk= 15, iat= 382, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 GLU HA 24 GLU HN 3.50 (# 594:15 Unique 2.81, 2.85 A)
&rst
ixpk= 594, nxpk= 15, iat= 399, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 MET HG+ 24 GLU HN 4.50 (# 595:15 Unique 3.63, 4.16 A)
&rst
ixpk= 595, nxpk= 15, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 387, 388,
&end
#
# 24 GLU HG+ 24 GLU HN 4.50 (# 596:15 Unique 2.33, 3.06 A)
&rst
ixpk= 596, nxpk= 15, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 404, 405,
&end
#
# 63 GLY HN 60 VAL HN 5.50 (# 599:15 Unique 4.67, 4.74 A)
&rst
ixpk= 599, nxpk= 15, iat=1007, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ALA HN 60 VAL HN 2.80 (# 600:15 Unique 2.64, 2.69 A)
&rst
ixpk= 600, nxpk= 15, iat= 945, 955, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 58 GLU HN 60 VAL HN 5.50 (# 601:15 Unique 4.18, 4.23 A)
&rst
ixpk= 601, nxpk= 15, iat= 930, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ALA HA 60 VAL HN 4.50 (# 602:15 Unique 3.60, 3.61 A)
&rst
ixpk= 602, nxpk= 15, iat= 947, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 VAL HA 60 VAL HN 3.50 (# 603:15 Unique 2.82, 2.82 A)
&rst
ixpk= 603, nxpk= 15, iat= 957, 955, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 VAL HA 60 VAL HN 5.50 (# 604:15 Unique 2.92, 3.12 A)
&rst
ixpk= 604, nxpk= 15, iat= 916, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 GLU QB 60 VAL HN 5.50 (# 605:15 Unique 5.28, 5.58 A)
&rst
ixpk= 605, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 934, 935,
&end
#
# 60 VAL HB 60 VAL HN 2.80 (# 606:15 Unique 2.24, 2.30 A)
&rst
ixpk= 606, nxpk= 15, iat= 959, 955, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 59 ALA QB 60 VAL HN 2.80 (# 607:15 Unique 2.58, 3.44 A)
&rst
ixpk= 607, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 949, 950, 951,
&end
#
# 0 AMB 15-2:608 0 AMB 15-1:608 5.50 (# 608:15 Double Ambig)
&rst
ixpk= 608, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 961, 962, 963,1147,1148,1149,1170,1171,1172,1174,
1175,1176,
igr2= 955,1134,
&end
#
# 60 VAL QG2 60 VAL HN 2.80 (# 609:15 Unique 2.40, 3.27 A)
&rst
ixpk= 609, nxpk= 15, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 965, 966, 967,
&end
#
# 62 ASN HN 60 VAL HN 5.50 (# 610:15 Unique 4.01, 4.04 A)
&rst
ixpk= 610, nxpk= 15, iat= 993, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 TYR HA 22 GLN HN 5.50 (# 611:15 Unique 3.32, 3.41 A)
&rst
ixpk= 611, nxpk= 15, iat= 308, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 GLN HA 22 GLN HN 4.50 (# 612:15 Unique 2.82, 2.83 A)
&rst
ixpk= 612, nxpk= 15, iat= 365, 363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLN HB2 22 GLN HN 2.80 (# 613:15 Unique 2.65, 2.68 A)
&rst
ixpk= 613, nxpk= 15, iat= 367, 363, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 21 VAL HB 22 GLN HN 4.50 (# 614:15 Unique 2.59, 2.76 A)
&rst
ixpk= 614, nxpk= 15, iat= 351, 363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 VAL QG+ 22 GLN HN 4.50 (# 615:15 Unique 3.49, 4.62 A)
&rst
ixpk= 615, nxpk= 15, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 353, 354, 355, 357, 358, 359,
&end
#
# 21 VAL QG- 22 GLN HN 5.50 (# 616:15 Unique 3.49, 4.62 A)
&rst
ixpk= 616, nxpk= 15, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 353, 354, 355, 357, 358, 359,
&end
#
# 21 VAL HA 24 GLU HN 4.50 (# 617:15 Unique 3.36, 3.46 A)
&rst
ixpk= 617, nxpk= 15, iat= 349, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:622 23 MET HN 4.50 (# 622:15 Single Ambig)
&rst
ixpk= 622, nxpk= 15, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 329, 308,
&end
#
# 22 GLN HA 23 MET HN 4.50 (# 624:15 Unique 3.57, 3.57 A)
&rst
ixpk= 624, nxpk= 15, iat= 365, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:625 23 MET HN 2.80 (# 625:15 Single Ambig)
&rst
ixpk= 625, nxpk= 15, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 387, 388, 368,
&end
#
# 12 VAL HN 13 GLN HN 2.80 (# 626:15 Unique 2.19, 2.26 A)
&rst
ixpk= 626, nxpk= 15, iat= 199, 215, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 ARG HA 13 GLN HN 4.50 (# 627:15 Unique 3.16, 3.29 A)
&rst
ixpk= 627, nxpk= 15, iat= 177, 215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 VAL HA 13 GLN HN 4.50 (# 628:15 Unique 2.99, 3.16 A)
&rst
ixpk= 628, nxpk= 15, iat= 201, 215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 GLN HB3 13 GLN HN 5.50 (# 629:15 Unique 3.41, 3.71 A)
&rst
ixpk= 629, nxpk= 15, iat= 220, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 VAL QG- 13 GLN HN 3.50 (# 630:15 Unique 2.45, 4.30 A)
&rst
ixpk= 630, nxpk= 15, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 245, 246, 247, 249, 250, 251,
&end
#
# 13 GLN HB2 13 GLN HN 3.50 (# 631:15 Unique 2.75, 2.87 A)
&rst
ixpk= 631, nxpk= 15, iat= 219, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 GLN HG- 13 GLN HN 5.50 (# 632:15 Unique 3.69, 4.42 A)
&rst
ixpk= 632, nxpk= 15, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 222, 223,
&end
#
# 0 AMB 15-2:634 23 MET HN 3.50 (# 634:15 Single Ambig)
&rst
ixpk= 634, nxpk= 15, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 397, 375, 376,
&end
#
# 22 GLN QG 23 MET HN 4.50 (# 635:15 Unique 4.47, 4.74 A)
&rst
ixpk= 635, nxpk= 15, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 370, 371,
&end
#
# 23 MET HG+ 23 MET HN 2.80 (# 636:15 Unique 2.19, 4.34 A)
&rst
ixpk= 636, nxpk= 15, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 387, 388,
&end
#
# 13 GLN HG+ 13 GLN HN 4.50 (# 638:15 Unique 3.69, 4.42 A)
&rst
ixpk= 638, nxpk= 15, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 222, 223,
&end
#
# 12 VAL QG+ 13 GLN HN 5.50 (# 639:15 Unique 3.67, 4.91 A)
&rst
ixpk= 639, nxpk= 15, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 205, 206, 207, 209, 210, 211,
&end
#
# 40 GLY HA+ 41 ARG HN 4.50 (# 640:15 Unique 3.04, 3.33 A)
&rst
ixpk= 640, nxpk= 15, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 664, 665,
&end
#
# 37 ARG HB3 41 ARG HN 4.50 (# 641:15 Unique 3.69, 4.05 A)
&rst
ixpk= 641, nxpk= 15, iat= 619, 669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:642 41 ARG HN 5.50 (# 642:15 Single Ambig)
&rst
ixpk= 642, nxpk= 15, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 127, 128, 129, 134, 135, 136,
&end
#
# 42 VAL HN 41 ARG HN 4.50 (# 643:15 Unique 4.56, 4.60 A)
&rst
ixpk= 643, nxpk= 15, iat= 693, 669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 GLY HN 41 ARG HN 3.50 (# 644:15 Unique 2.41, 2.60 A)
&rst
ixpk= 644, nxpk= 15, iat= 662, 669, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 ARG HA 41 ARG HN 3.50 (# 645:15 Unique 2.83, 2.92 A)
&rst
ixpk= 645, nxpk= 15, iat= 671, 669, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 GLY HA- 41 ARG HN 4.50 (# 646:15 Unique 3.04, 3.33 A)
&rst
ixpk= 646, nxpk= 15, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 664, 665,
&end
#
# 41 ARG QD 41 ARG HN 5.50 (# 647:15 Unique 2.17, 3.16 A)
&rst
ixpk= 647, nxpk= 15, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 679, 680,
&end
#
# 41 ARG QB 41 ARG HN 2.80 (# 648:15 Unique 2.15, 2.92 A)
&rst
ixpk= 648, nxpk= 15, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 673, 674,
&end
#
# 41 ARG HG- 41 ARG HN 3.50 (# 649:15 Unique 2.43, 3.91 A)
&rst
ixpk= 649, nxpk= 15, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 676, 677,
&end
#
# 18 ARG HB- 18 ARG HN 4.50 (# 650:15 Unique 2.33, 3.17 A)
&rst
ixpk= 650, nxpk= 15, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 286, 287,
&end
#
# 77 SER HB+ 79 SER HN 4.50 (# 652:15 Unique 2.62, 3.10 A)
&rst
ixpk= 652, nxpk= 15, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1213,1214,
&end
#
# 78 ARG HN 79 SER HN 3.50 (# 653:15 Unique 1.96, 2.25 A)
&rst
ixpk= 653, nxpk= 15, iat=1220,1244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:654 0 AMB 15-1:654 2.80 (# 654:15 Double Ambig)
&rst
ixpk= 654, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1246,1222,
igr2=1244, 40,
&end
#
# 79 SER HB2 79 SER HN 3.50 (# 655:15 Unique 2.53, 2.80 A)
&rst
ixpk= 655, nxpk= 15, iat=1248,1244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:656 79 SER HN 2.80 (# 656:15 Single Ambig)
&rst
ixpk= 656, nxpk= 15, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1213,1214,1249,
&end
#
# 0 AMB 15-2:657 0 AMB 15-1:657 3.50 (# 657:15 Double Ambig)
&rst
ixpk= 657, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1224,1225,1227,1228,
igr2=1244, 40,
&end
#
# 48 GLY HN 3 GLN HN 5.50 (# 658:15 Unique 4.81, 5.04 A)
&rst
ixpk= 658, nxpk= 15, iat= 787, 40, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ARG HN 41 ARG HN 5.50 (# 660:15 Unique 3.85, 4.05 A)
&rst
ixpk= 660, nxpk= 15, iat= 614, 669, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ARG HA 18 ARG HN 4.50 (# 661:15 Unique 2.82, 2.84 A)
&rst
ixpk= 661, nxpk= 15, iat= 284, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ARG HB+ 18 ARG HN 4.50 (# 663:15 Unique 2.33, 3.17 A)
&rst
ixpk= 663, nxpk= 15, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 286, 287,
&end
#
# 53 LEU HN 54 GLN HN 3.50 (# 666:15 Unique 2.76, 2.81 A)
&rst
ixpk= 666, nxpk= 15, iat= 847, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 SER HN 54 GLN HN 3.50 (# 667:15 Unique 2.87, 2.98 A)
&rst
ixpk= 667, nxpk= 15, iat= 883, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 ALA HN 54 GLN HN 5.50 (# 668:15 Unique 3.64, 4.13 A)
&rst
ixpk= 668, nxpk= 15, iat= 837, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 ASN HA 54 GLN HN 5.50 (# 669:15 Unique 3.29, 3.51 A)
&rst
ixpk= 669, nxpk= 15, iat= 825, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:670 54 GLN HN 5.50 (# 670:15 Single Ambig)
&rst
ixpk= 670, nxpk= 15, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 839, 885,
&end
#
# 54 GLN HA 54 GLN HN 3.50 (# 671:15 Unique 2.80, 2.81 A)
&rst
ixpk= 671, nxpk= 15, iat= 868, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 GLN HG+ 54 GLN HN 3.50 (# 672:15 Unique 2.32, 3.11 A)
&rst
ixpk= 672, nxpk= 15, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 873, 874,
&end
#
# 54 GLN HG- 54 GLN HN 3.50 (# 673:15 Unique 2.32, 3.11 A)
&rst
ixpk= 673, nxpk= 15, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 873, 874,
&end
#
# 54 GLN HB3 54 GLN HN 4.50 (# 674:15 Unique 3.50, 3.53 A)
&rst
ixpk= 674, nxpk= 15, iat= 871, 866, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 GLN HB2 54 GLN HN 3.50 (# 675:15 Unique 2.22, 2.28 A)
&rst
ixpk= 675, nxpk= 15, iat= 870, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 LEU HB2 54 GLN HN 4.50 (# 676:15 Unique 2.63, 2.84 A)
&rst
ixpk= 676, nxpk= 15, iat= 851, 866, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU HB3 54 GLN HN 5.50 (# 678:15 Unique 2.80, 3.57 A)
&rst
ixpk= 678, nxpk= 15, iat= 852, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LEU QD- 54 GLN HN 5.50 (# 679:15 Unique 2.99, 5.73 A)
&rst
ixpk= 679, nxpk= 15, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 80 LEU HN 79 SER HN 4.50 (# 682:15 Unique 2.79, 3.32 A)
&rst
ixpk= 682, nxpk= 15, iat=1255,1244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:683 0 AMB 15-1:683 5.50 (# 683:15 Double Ambig)
&rst
ixpk= 683, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1264,1265,1266,1268,1269,1270, 752, 753, 754, 756,
757, 758,1264,1265,1266,1268,1269,1270,
igr2=1244, 40,
&end
#
# 4 TYR HN 3 GLN HN 4.50 (# 684:15 Unique 4.32, 4.43 A)
&rst
ixpk= 684, nxpk= 15, iat= 57, 40, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 SER HN 3 GLN HN 3.50 (# 685:15 Unique 2.75, 3.03 A)
&rst
ixpk= 685, nxpk= 15, iat=1209, 40, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 LEU HA 3 GLN HN 2.80 (# 686:15 Unique 2.46, 2.55 A)
&rst
ixpk= 686, nxpk= 15, iat= 23, 40, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 3 GLN HB2 0 AMB 15-1:687 4.50 (# 687:15 Single Ambig)
&rst
ixpk= 687, nxpk= 15, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 40,1244,
&end
#
# 2 LEU HB+ 3 GLN HN 5.50 (# 688:15 Unique 2.76, 3.63 A)
&rst
ixpk= 688, nxpk= 15, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 25, 26,
&end
#
# 0 AMB 15-2:689 3 GLN HN 4.50 (# 689:15 Single Ambig)
&rst
ixpk= 689, nxpk= 15, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 30, 31, 32, 34, 35, 36, 30, 31, 32, 34,
35, 36,
&end
#
# 3 GLN HB3 0 AMB 15-1:690 4.50 (# 690:15 Single Ambig)
&rst
ixpk= 690, nxpk= 15, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 40,1244,
&end
#
# 57 VAL QG+ 54 GLN HN 5.50 (# 693:15 Unique 4.38, 6.74 A)
&rst
ixpk= 693, nxpk= 15, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 3 GLN HA 3 GLN HN 4.50 (# 694:15 Unique 2.93, 2.97 A)
&rst
ixpk= 694, nxpk= 15, iat= 42, 40, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 LEU QD- 0 AMB 15-1:695 5.50 (# 695:15 Single Ambig)
&rst
ixpk= 695, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1264,1265,1266,1268,1269,1270,
igr2=1244, 40,
&end
#
# 60 VAL HN 58 GLU HN 4.50 (# 696:15 Unique 4.18, 4.23 A)
&rst
ixpk= 696, nxpk= 15, iat= 955, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 PHE HA 58 GLU HN 4.50 (# 697:15 Unique 4.28, 4.36 A)
&rst
ixpk= 697, nxpk= 15, iat= 896, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 VAL HA 58 GLU HN 4.50 (# 698:15 Unique 3.60, 3.62 A)
&rst
ixpk= 698, nxpk= 15, iat= 916, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 VAL QG- 58 GLU HN 4.50 (# 699:15 Unique 3.64, 4.67 A)
&rst
ixpk= 699, nxpk= 15, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 57 VAL HN 58 GLU HN 3.50 (# 700:15 Unique 2.65, 2.74 A)
&rst
ixpk= 700, nxpk= 15, iat= 914, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 ALA HN 58 GLU HN 2.80 (# 701:15 Unique 2.76, 2.80 A)
&rst
ixpk= 701, nxpk= 15, iat= 945, 930, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 SER HA 58 GLU HN 5.50 (# 702:15 Unique 3.08, 3.16 A)
&rst
ixpk= 702, nxpk= 15, iat= 885, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 GLN HA 58 GLU HN 5.50 (# 703:15 Unique 4.14, 4.25 A)
&rst
ixpk= 703, nxpk= 15, iat= 868, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 GLU HA 58 GLU HN 3.50 (# 704:15 Unique 2.82, 2.83 A)
&rst
ixpk= 704, nxpk= 15, iat= 932, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:705 58 GLU HN 2.80 (# 705:15 Single Ambig)
&rst
ixpk= 705, nxpk= 15, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 937, 938, 918,
&end
#
# 58 GLU QB 58 GLU HN 2.80 (# 706:15 Unique 2.41, 3.08 A)
&rst
ixpk= 706, nxpk= 15, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 934, 935,
&end
#
# 61 LYS QG 58 GLU HN 4.50 (# 707:15 Unique 4.54, 5.39 A)
&rst
ixpk= 707, nxpk= 15, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 978, 979,
&end
#
# 57 VAL QG+ 58 GLU HN 4.50 (# 708:15 Unique 3.64, 4.67 A)
&rst
ixpk= 708, nxpk= 15, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 56 PHE HN 58 GLU HN 5.50 (# 709:15 Unique 3.93, 4.08 A)
&rst
ixpk= 709, nxpk= 15, iat= 894, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLY HN 61 LYS HN 4.50 (# 711:15 Unique 4.28, 4.34 A)
&rst
ixpk= 711, nxpk= 15, iat=1007, 971, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:712 61 LYS HN 4.50 (# 712:15 Single Ambig)
&rst
ixpk= 712, nxpk= 15, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 981, 982,1138,
&end
#
# 61 LYS QG 61 LYS HN 3.50 (# 713:15 Unique 2.21, 2.84 A)
&rst
ixpk= 713, nxpk= 15, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 978, 979,
&end
#
# 0 AMB 15-2:714 61 LYS HN 4.50 (# 714:15 Single Ambig)
&rst
ixpk= 714, nxpk= 15, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1= 920, 921, 922, 924, 925, 926,1098,1099,1100,1102,
1103,1104,1098,1099,1100,1102,1103,1104,1144,1145,
146, 147, 148, 150, 151, 152,
&end
#
# 62 ASN HN 61 LYS HN 3.50 (# 718:15 Unique 2.73, 2.76 A)
&rst
ixpk= 718, nxpk= 15, iat= 993, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 GLU HA 61 LYS HN 5.50 (# 719:15 Unique 3.50, 3.52 A)
&rst
ixpk= 719, nxpk= 15, iat= 932, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 LYS HA 61 LYS HN 3.50 (# 720:15 Unique 2.86, 2.87 A)
&rst
ixpk= 720, nxpk= 15, iat= 973, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 VAL HA 61 LYS HN 5.50 (# 721:15 Unique 3.95, 4.00 A)
&rst
ixpk= 721, nxpk= 15, iat= 916, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:723 61 LYS HN 3.50 (# 723:15 Single Ambig)
&rst
ixpk= 723, nxpk= 15, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1147,1148,1149, 961, 962, 963,
&end
#
# 60 VAL HA 61 LYS HN 4.50 (# 726:15 Unique 3.60, 3.61 A)
&rst
ixpk= 726, nxpk= 15, iat= 957, 971, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ARG HB2 39 ASP HN 5.50 (# 727:15 Unique 3.16, 3.44 A)
&rst
ixpk= 727, nxpk= 15, iat= 618, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS HN 30 LEU HN 3.50 (# 728:15 Unique 2.80, 2.82 A)
&rst
ixpk= 728, nxpk= 15, iat= 480, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 ASP HA 30 LEU HN 5.50 (# 730:15 Unique 3.51, 3.86 A)
&rst
ixpk= 730, nxpk= 15, iat= 424, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 LEU HA 30 LEU HN 3.50 (# 731:15 Unique 2.86, 2.88 A)
&rst
ixpk= 731, nxpk= 15, iat= 504, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 LYS HA 30 LEU HN 5.50 (# 732:15 Unique 2.63, 2.68 A)
&rst
ixpk= 732, nxpk= 15, iat= 482, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ALA HA 30 LEU HN 4.50 (# 733:15 Unique 3.14, 3.59 A)
&rst
ixpk= 733, nxpk= 15, iat= 414, 502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 LEU HG 30 LEU HN 2.80 (# 734:15 Unique 2.25, 2.42 A)
&rst
ixpk= 734, nxpk= 15, iat= 509, 502, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 LEU HB2 30 LEU HN 4.50 (# 735:15 Unique 2.40, 2.48 A)
&rst
ixpk= 735, nxpk= 15, iat= 506, 502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 LEU HB3 30 LEU HN 4.50 (# 736:15 Unique 3.56, 3.58 A)
&rst
ixpk= 736, nxpk= 15, iat= 507, 502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 LEU QD- 30 LEU HN 4.50 (# 737:15 Unique 2.65, 4.33 A)
&rst
ixpk= 737, nxpk= 15, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 511, 512, 513, 515, 516, 517,
&end
#
# 0 AMB 15-2:738 30 LEU HN 3.50 (# 738:15 Single Ambig)
&rst
ixpk= 738, nxpk= 15, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 511, 512, 513, 515, 516, 517, 416, 417, 418,
&end
#
# 76 GLU HN 77 SER HN 4.50 (# 740:15 Unique 4.32, 4.41 A)
&rst
ixpk= 740, nxpk= 15, iat=1194,1209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:741 77 SER HN 4.50 (# 741:15 Single Ambig)
&rst
ixpk= 741, nxpk= 15, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 30, 31, 32, 34, 35, 36, 30, 31, 32, 34,
35, 36,
&end
#
# 3 GLN HN 77 SER HN 3.50 (# 742:15 Unique 2.75, 3.03 A)
&rst
ixpk= 742, nxpk= 15, iat= 40,1209, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:743 77 SER HN 5.50 (# 743:15 Single Ambig)
&rst
ixpk= 743, nxpk= 15, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 52, 53, 65, 74,
&end
#
# 4 TYR HA 77 SER HN 5.50 (# 744:15 Unique 3.18, 3.40 A)
&rst
ixpk= 744, nxpk= 15, iat= 59,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 GLU HA 77 SER HN 2.80 (# 745:15 Unique 2.23, 2.31 A)
&rst
ixpk= 745, nxpk= 15, iat=1196,1209, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 SER HB+ 77 SER HN 4.50 (# 748:15 Unique 2.91, 3.52 A)
&rst
ixpk= 748, nxpk= 15, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1213,1214,
&end
#
# 77 SER HB- 77 SER HN 3.50 (# 749:15 Unique 2.91, 3.52 A)
&rst
ixpk= 749, nxpk= 15, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1213,1214,
&end
#
# 76 GLU QB 77 SER HN 4.50 (# 750:15 Unique 2.45, 3.36 A)
&rst
ixpk= 750, nxpk= 15, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1198,1199,
&end
#
# 41 ARG HN 39 ASP HN 5.50 (# 751:15 Unique 3.96, 4.16 A)
&rst
ixpk= 751, nxpk= 15, iat= 669, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 ASP HA 39 ASP HN 4.50 (# 752:15 Unique 3.47, 3.50 A)
&rst
ixpk= 752, nxpk= 15, iat= 640, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:754 39 ASP HN 3.50 (# 754:15 Single Ambig)
&rst
ixpk= 754, nxpk= 15, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 652, 616,
&end
#
# 39 ASP HB2 39 ASP HN 4.50 (# 755:15 Unique 2.34, 2.85 A)
&rst
ixpk= 755, nxpk= 15, iat= 654, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 ASP QB 39 ASP HN 4.50 (# 756:15 Unique 2.90, 3.57 A)
&rst
ixpk= 756, nxpk= 15, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 642, 643,
&end
#
# 39 ASP HB3 39 ASP HN 4.50 (# 757:15 Unique 2.29, 2.41 A)
&rst
ixpk= 757, nxpk= 15, iat= 655, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ARG HB3 39 ASP HN 4.50 (# 758:15 Unique 2.21, 2.47 A)
&rst
ixpk= 758, nxpk= 15, iat= 619, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 LYS HN 28 ARG HN 2.80 (# 761:15 Unique 2.26, 2.36 A)
&rst
ixpk= 761, nxpk= 15, iat= 480, 456, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 LEU HN 28 ARG HN 4.50 (# 762:15 Unique 3.36, 3.55 A)
&rst
ixpk= 762, nxpk= 15, iat= 502, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ARG HA 28 ARG HN 4.50 (# 763:15 Unique 2.96, 2.98 A)
&rst
ixpk= 763, nxpk= 15, iat= 458, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 LYS HA 28 ARG HN 4.50 (# 764:15 Unique 3.36, 3.51 A)
&rst
ixpk= 764, nxpk= 15, iat= 436, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ARG HB3 28 ARG HN 5.50 (# 765:15 Unique 2.39, 2.56 A)
&rst
ixpk= 765, nxpk= 15, iat= 461, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 LYS QB 28 ARG HN 5.50 (# 766:15 Unique 3.79, 4.02 A)
&rst
ixpk= 766, nxpk= 15, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 438, 439,
&end
#
# 27 LYS QG 28 ARG HN 4.50 (# 767:15 Unique 2.41, 2.78 A)
&rst
ixpk= 767, nxpk= 15, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 441, 442,
&end
#
# 0 AMB 15-2:768 28 ARG HN 4.50 (# 768:15 Single Ambig)
&rst
ixpk= 768, nxpk= 15, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 509, 487, 488,
&end
#
# 28 ARG HB2 28 ARG HN 3.50 (# 769:15 Unique 2.82, 2.92 A)
&rst
ixpk= 769, nxpk= 15, iat= 460, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 LEU HN 29 LYS HN 3.50 (# 770:15 Unique 2.80, 2.82 A)
&rst
ixpk= 770, nxpk= 15, iat= 502, 480, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 ARG HN 29 LYS HN 2.80 (# 771:15 Unique 2.26, 2.36 A)
&rst
ixpk= 771, nxpk= 15, iat= 456, 480, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 26 ASP HA 29 LYS HN 3.50 (# 772:15 Unique 2.87, 3.21 A)
&rst
ixpk= 772, nxpk= 15, iat= 424, 480, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 ARG HA 29 LYS HN 4.50 (# 773:15 Unique 3.17, 3.26 A)
&rst
ixpk= 773, nxpk= 15, iat= 458, 480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 LYS HA 29 LYS HN 2.80 (# 774:15 Unique 2.22, 2.23 A)
&rst
ixpk= 774, nxpk= 15, iat= 482, 480, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:775 29 LYS HN 4.50 (# 775:15 Single Ambig)
&rst
ixpk= 775, nxpk= 15, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 484, 485, 461,
&end
#
# 29 LYS HD+ 29 LYS HN 4.50 (# 776:15 Unique 2.95, 4.79 A)
&rst
ixpk= 776, nxpk= 15, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 490, 491,
&end
#
# 29 LYS QG 29 LYS HN 3.50 (# 777:15 Unique 2.67, 3.19 A)
&rst
ixpk= 777, nxpk= 15, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 487, 488,
&end
#
# 28 ARG HB2 29 LYS HN 4.50 (# 778:15 Unique 4.44, 4.49 A)
&rst
ixpk= 778, nxpk= 15, iat= 460, 480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 ALA HN 51 ASN HN 4.50 (# 783:15 Unique 2.26, 2.75 A)
&rst
ixpk= 783, nxpk= 15, iat= 837, 823, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:785 51 ASN HN 4.50 (# 785:15 Single Ambig)
&rst
ixpk= 785, nxpk= 15, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 825, 804,
&end
#
# 51 ASN QB 51 ASN HN 4.50 (# 786:15 Unique 2.44, 2.54 A)
&rst
ixpk= 786, nxpk= 15, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 827, 828,
&end
#
# 0 AMB 15-2:787 51 ASN HN 4.50 (# 787:15 Single Ambig)
&rst
ixpk= 787, nxpk= 15, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 812, 813, 801, 802,
&end
#
# 68 LYS HN 67 SER HN 5.50 (# 789:15 Unique 4.55, 4.56 A)
&rst
ixpk= 789, nxpk= 15, iat=1070,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:792 67 SER HN 2.80 (# 792:15 Single Ambig)
&rst
ixpk= 792, nxpk= 15, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1061,1041,
&end
#
# 65 PRO HA 67 SER HN 5.50 (# 793:15 Unique 3.72, 3.96 A)
&rst
ixpk= 793, nxpk= 15, iat=1035,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 SER QB 67 SER HN 3.50 (# 794:15 Unique 2.43, 3.03 A)
&rst
ixpk= 794, nxpk= 15, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1063,1064,
&end
#
# 66 PHE HB+ 67 SER HN 5.50 (# 795:15 Unique 3.08, 3.70 A)
&rst
ixpk= 795, nxpk= 15, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1043,1044,
&end
#
# 66 PHE HB- 67 SER HN 5.50 (# 796:15 Unique 3.08, 3.70 A)
&rst
ixpk= 796, nxpk= 15, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1043,1044,
&end
#
# 61 LYS HN 62 ASN HN 3.50 (# 797:15 Unique 2.73, 2.76 A)
&rst
ixpk= 797, nxpk= 15, iat= 971, 993, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 GLY HN 62 ASN HN 3.50 (# 798:15 Unique 1.98, 2.09 A)
&rst
ixpk= 798, nxpk= 15, iat=1007, 993, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 ASN HA 62 ASN HN 3.50 (# 799:15 Unique 2.97, 2.98 A)
&rst
ixpk= 799, nxpk= 15, iat= 995, 993, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 ALA HA 62 ASN HN 5.50 (# 800:15 Unique 3.36, 3.45 A)
&rst
ixpk= 800, nxpk= 15, iat= 947, 993, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ASN QB 62 ASN HN 2.80 (# 801:15 Unique 2.58, 2.73 A)
&rst
ixpk= 801, nxpk= 15, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 997, 998,
&end
#
# 62 ASN HD2- 62 ASN HN 5.50 (# 803:15 Unique 4.57, 5.25 A)
&rst
ixpk= 803, nxpk= 15, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1002,1003,
&end
#
# 61 LYS HA 62 ASN HN 4.50 (# 804:15 Unique 3.20, 3.33 A)
&rst
ixpk= 804, nxpk= 15, iat= 973, 993, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 LYS QG 62 ASN HN 4.50 (# 805:15 Unique 3.48, 3.65 A)
&rst
ixpk= 805, nxpk= 15, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 978, 979,
&end
#
# 33 TRP HN 34 VAL HN 5.50 (# 807:15 Unique 4.35, 4.38 A)
&rst
ixpk= 807, nxpk= 15, iat= 538, 562, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:809 34 VAL HN 3.50 (# 809:15 Single Ambig)
&rst
ixpk= 809, nxpk= 15, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1404,1385,
&end
#
# 33 TRP HD1 34 VAL HN 4.50 (# 811:15 Unique 3.56, 3.74 A)
&rst
ixpk= 811, nxpk= 15, iat= 546, 562, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLN HE2- 34 VAL HN 5.50 (# 812:15 Unique 8.89, 9.80 A)
&rst
ixpk= 812, nxpk= 15, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 375, 376,
&end
#
# 34 VAL HA 34 VAL HN 4.50 (# 813:15 Unique 2.92, 2.94 A)
&rst
ixpk= 813, nxpk= 15, iat= 564, 562, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 TRP HA 34 VAL HN 2.80 (# 814:15 Unique 2.29, 2.35 A)
&rst
ixpk= 814, nxpk= 15, iat= 540, 562, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 ILE HA 34 VAL HN 3.50 (# 815:15 Unique 2.83, 2.94 A)
&rst
ixpk= 815, nxpk= 15, iat=1387, 562, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 TRP HB+ 34 VAL HN 3.50 (# 816:15 Unique 2.41, 3.15 A)
&rst
ixpk= 816, nxpk= 15, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 542, 543,
&end
#
# 33 TRP HB- 34 VAL HN 3.50 (# 817:15 Unique 2.41, 3.15 A)
&rst
ixpk= 817, nxpk= 15, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 542, 543,
&end
#
# 34 VAL HB 34 VAL HN 4.50 (# 818:15 Unique 3.20, 3.31 A)
&rst
ixpk= 818, nxpk= 15, iat= 566, 562, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 VAL QG+ 34 VAL HN 3.50 (# 819:15 Unique 2.36, 4.05 A)
&rst
ixpk= 819, nxpk= 15, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 568, 569, 570, 572, 573, 574,
&end
#
# 34 VAL QG- 34 VAL HN 4.50 (# 820:15 Unique 2.36, 4.05 A)
&rst
ixpk= 820, nxpk= 15, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 568, 569, 570, 572, 573, 574,
&end
#
# 89 VAL QG- 34 VAL HN 4.50 (# 822:15 Unique 3.09, 5.58 A)
&rst
ixpk= 822, nxpk= 15, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1410,1411,1412,1414,1415,1416,
&end
#
# 56 PHE HN 55 SER HN 2.80 (# 824:15 Unique 2.72, 2.75 A)
&rst
ixpk= 824, nxpk= 15, iat= 894, 883, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 LEU HN 55 SER HN 5.50 (# 825:15 Unique 4.38, 4.66 A)
&rst
ixpk= 825, nxpk= 15, iat= 847, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:826 55 SER HN 2.80 (# 826:15 Single Ambig)
&rst
ixpk= 826, nxpk= 15, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 885, 839,
&end
#
# 0 AMB 15-2:827 0 AMB 15-1:827 2.80 (# 827:15 Double Ambig)
&rst
ixpk= 827, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 887, 888,1035,
igr2= 883,1002,1003,
&end
#
# 55 SER HB- 55 SER HN 2.80 (# 828:15 Unique 2.53, 3.06 A)
&rst
ixpk= 828, nxpk= 15, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 887, 888,
&end
#
# 54 GLN HG- 55 SER HN 5.50 (# 830:15 Unique 4.53, 4.86 A)
&rst
ixpk= 830, nxpk= 15, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 873, 874,
&end
#
# 54 GLN HB3 55 SER HN 3.50 (# 831:15 Unique 3.11, 3.30 A)
&rst
ixpk= 831, nxpk= 15, iat= 871, 883, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:832 55 SER HN 5.50 (# 832:15 Single Ambig)
&rst
ixpk= 832, nxpk= 15, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 930, 878, 879,
&end
#
# 62 ASN QB 62 ASN HD2+ 3.50 (# 837:15 Unique 2.38, 3.43 A)
&rst
ixpk= 837, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 997, 998,
igr2=1002,1003,
&end
#
# 54 GLN HG+ 55 SER HN 5.50 (# 838:15 Unique 4.53, 4.86 A)
&rst
ixpk= 838, nxpk= 15, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 873, 874,
&end
#
# 54 GLN HB2 55 SER HN 3.50 (# 839:15 Unique 2.49, 2.66 A)
&rst
ixpk= 839, nxpk= 15, iat= 870, 883, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 ASN QB 62 ASN HD2- 3.50 (# 845:15 Unique 2.38, 3.43 A)
&rst
ixpk= 845, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 997, 998,
igr2=1002,1003,
&end
#
# 0 AMB 15-2:847 66 PHE HN 5.50 (# 847:15 Single Ambig)
&rst
ixpk= 847, nxpk= 15, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1043,1044,1026,1027,
&end
#
# 65 PRO HA 66 PHE HN 4.50 (# 849:15 Unique 3.51, 3.53 A)
&rst
ixpk= 849, nxpk= 15, iat=1035,1039, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 PHE HB- 66 PHE HN 5.50 (# 850:15 Unique 2.55, 3.07 A)
&rst
ixpk= 850, nxpk= 15, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1043,1044,
&end
#
# 81 GLU QB 3 GLN HE2+ 4.50 (# 851:15 Unique 4.03, 6.03 A)
&rst
ixpk= 851, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1278,1279,
igr2= 52, 53,
&end
#
# 80 LEU HA 3 GLN HE2+ 4.50 (# 853:15 Unique 4.61, 5.75 A)
&rst
ixpk= 853, nxpk= 15, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 52, 53,
&end
#
# 3 GLN HG- 3 GLN HE2+ 4.50 (# 854:15 Unique 2.46, 3.54 A)
&rst
ixpk= 854, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 47, 48,
igr2= 52, 53,
&end
#
# 81 GLU HG+ 3 GLN HE2+ 3.50 (# 855:15 Unique 3.19, 5.02 A)
&rst
ixpk= 855, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1281,1282,
igr2= 52, 53,
&end
#
# 3 GLN HB3 3 GLN HE2+ 4.50 (# 856:15 Unique 3.41, 4.06 A)
&rst
ixpk= 856, nxpk= 15, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 52, 53,
&end
#
# 3 GLN HG+ 3 GLN HE2+ 4.50 (# 857:15 Unique 2.46, 3.54 A)
&rst
ixpk= 857, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 47, 48,
igr2= 52, 53,
&end
#
# 45 LEU QD- 3 GLN HE2+ 4.50 (# 858:15 Unique 3.48, 5.65 A)
&rst
ixpk= 858, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 752, 753, 754, 756, 757, 758,
igr2= 52, 53,
&end
#
# 45 LEU QD+ 3 GLN HE2+ 4.50 (# 859:15 Unique 3.48, 5.65 A)
&rst
ixpk= 859, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 752, 753, 754, 756, 757, 758,
igr2= 52, 53,
&end
#
# 51 ASN QB 51 ASN HD2+ 4.50 (# 863:15 Unique 2.26, 3.36 A)
&rst
ixpk= 863, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 827, 828,
igr2= 832, 833,
&end
#
# 3 GLN HG+ 3 GLN HE2- 5.50 (# 864:15 Unique 2.46, 3.54 A)
&rst
ixpk= 864, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 47, 48,
igr2= 52, 53,
&end
#
# 0 AMB 15-2:868 0 AMB 15-1:868 5.50 (# 868:15 Double Ambig)
&rst
ixpk= 868, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 839,1257,
igr2= 832, 833, 52, 53,
&end
#
# 3 GLN HG- 3 GLN HE2- 4.50 (# 870:15 Unique 2.46, 3.54 A)
&rst
ixpk= 870, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 47, 48,
igr2= 52, 53,
&end
#
# 81 GLU HG- 3 GLN HE2- 4.50 (# 871:15 Unique 3.19, 5.02 A)
&rst
ixpk= 871, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1281,1282,
igr2= 52, 53,
&end
#
# 81 GLU QB 3 GLN HE2- 5.50 (# 873:15 Unique 4.03, 6.03 A)
&rst
ixpk= 873, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1278,1279,
igr2= 52, 53,
&end
#
# 45 LEU QD+ 3 GLN HE2- 4.50 (# 874:15 Unique 3.48, 5.65 A)
&rst
ixpk= 874, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 752, 753, 754, 756, 757, 758,
igr2= 52, 53,
&end
#
# 45 LEU QD- 3 GLN HE2- 4.50 (# 875:15 Unique 3.48, 5.65 A)
&rst
ixpk= 875, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 752, 753, 754, 756, 757, 758,
igr2= 52, 53,
&end
#
# 12 VAL HA 12 VAL HN 4.50 (# 877:15 Unique 2.97, 2.98 A)
&rst
ixpk= 877, nxpk= 15, iat= 201, 199, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 ARG HG- 12 VAL HN 4.50 (# 878:15 Unique 4.01, 4.50 A)
&rst
ixpk= 878, nxpk= 15, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 182, 183,
&end
#
# 13 GLN HN 12 VAL HN 2.80 (# 879:15 Unique 2.19, 2.26 A)
&rst
ixpk= 879, nxpk= 15, iat= 215, 199, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 ARG HA 12 VAL HN 2.80 (# 880:15 Unique 2.23, 2.29 A)
&rst
ixpk= 880, nxpk= 15, iat= 177, 199, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 12 VAL QG- 12 VAL HN 3.50 (# 881:15 Unique 2.32, 3.44 A)
&rst
ixpk= 881, nxpk= 15, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 205, 206, 207, 209, 210, 211,
&end
#
# 12 VAL QG+ 12 VAL HN 4.50 (# 882:15 Unique 2.32, 3.44 A)
&rst
ixpk= 882, nxpk= 15, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 205, 206, 207, 209, 210, 211,
&end
#
# 0 AMB 15-2:894 0 AMB 15-1:894 4.50 (# 894:15 Double Ambig)
&rst
ixpk= 894, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 347,1385,
igr2= 375, 376, 375, 376,
&end
#
# 87 SER HA 22 GLN HE2+ 4.50 (# 898:15 Unique 8.06, 8.80 A)
&rst
ixpk= 898, nxpk= 15, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 375, 376,
&end
#
# 22 GLN QG 22 GLN HE2+ 3.50 (# 899:15 Unique 3.16, 3.71 A)
&rst
ixpk= 899, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 370, 371,
igr2= 375, 376,
&end
#
# 54 GLN HG+ 54 GLN HE2+ 4.50 (# 902:15 Unique 2.15, 3.29 A)
&rst
ixpk= 902, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 873, 874,
igr2= 878, 879,
&end
#
# 54 GLN HG- 54 GLN HE2+ 3.50 (# 903:15 Unique 2.15, 3.29 A)
&rst
ixpk= 903, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 873, 874,
igr2= 878, 879,
&end
#
# 54 GLN HB3 54 GLN HE2+ 4.50 (# 904:15 Unique 4.24, 4.49 A)
&rst
ixpk= 904, nxpk= 15, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 878, 879,
&end
#
# 0 AMB 15-2:905 0 AMB 15-1:905 4.50 (# 905:15 Double Ambig)
&rst
ixpk= 905, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 870,1198,1199,
igr2= 878, 879, 878, 879,
&end
#
# 41 ARG QD 41 ARG HE 4.50 (# 907:15 Unique 2.21, 2.76 A)
&rst
ixpk= 907, nxpk= 15, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 679, 680,
&end
#
# 41 ARG QB 41 ARG HE 4.50 (# 908:15 Unique 2.32, 4.32 A)
&rst
ixpk= 908, nxpk= 15, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 673, 674,
&end
#
# 41 ARG HG- 41 ARG HE 4.50 (# 909:15 Unique 2.25, 2.97 A)
&rst
ixpk= 909, nxpk= 15, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 676, 677,
&end
#
# 54 GLN HG- 54 GLN HE2- 4.50 (# 914:15 Unique 2.15, 3.29 A)
&rst
ixpk= 914, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 873, 874,
igr2= 878, 879,
&end
#
# 0 AMB 15-2:915 0 AMB 15-1:915 5.50 (# 915:15 Double Ambig)
&rst
ixpk= 915, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 347,1385, 40,
igr2= 375, 376, 878, 879,
&end
#
# 87 SER HA 22 GLN HE2- 5.50 (# 918:15 Unique 8.06, 8.80 A)
&rst
ixpk= 918, nxpk= 15, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 375, 376,
&end
#
# 22 GLN QG 22 GLN HE2- 4.50 (# 919:15 Unique 3.16, 3.71 A)
&rst
ixpk= 919, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 370, 371,
igr2= 375, 376,
&end
#
# 37 ARG HN 13 GLN HE2+ 5.50 (# 920:15 Unique 4.49, 7.33 A)
&rst
ixpk= 920, nxpk= 15, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 227, 228,
&end
#
# 0 AMB 15-2:925 48 GLY HN 5.50 (# 925:15 Single Ambig)
&rst
ixpk= 925, nxpk= 15, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 854, 766, 767, 768,
&end
#
# 47 GLU HN 48 GLY HN 5.50 (# 926:15 Unique 4.22, 4.32 A)
&rst
ixpk= 926, nxpk= 15, iat= 772, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 GLN HA 48 GLY HN 4.50 (# 928:15 Unique 3.44, 3.53 A)
&rst
ixpk= 928, nxpk= 15, iat= 42, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:929 48 GLY HN 3.50 (# 929:15 Single Ambig)
&rst
ixpk= 929, nxpk= 15, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 789, 790, 789, 790,
&end
#
# 0 AMB 15-2:930 48 GLY HN 4.50 (# 930:15 Single Ambig)
&rst
ixpk= 930, nxpk= 15, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 6, 795, 796,
&end
#
# 80 LEU QD- 48 GLY HN 4.50 (# 933:15 Unique 6.71, 9.36 A)
&rst
ixpk= 933, nxpk= 15, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1264,1265,1266,1268,1269,1270,
&end
#
# 30 LEU QD- 48 GLY HN 4.50 (# 934:15 Unique 3.86, 5.72 A)
&rst
ixpk= 934, nxpk= 15, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 511, 512, 513, 515, 516, 517,
&end
#
# 53 LEU QD+ 48 GLY HN 4.50 (# 935:15 Unique 2.41, 3.97 A)
&rst
ixpk= 935, nxpk= 15, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 53 LEU QD- 48 GLY HN 3.50 (# 936:15 Unique 2.41, 3.97 A)
&rst
ixpk= 936, nxpk= 15, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 36 ASN HB- 36 ASN HD2+ 3.50 (# 939:15 Unique 2.16, 3.43 A)
&rst
ixpk= 939, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 604, 605,
igr2= 609, 610,
&end
#
# 12 VAL QG+ 10 GLY HN 4.50 (# 942:15 Unique 2.62, 4.23 A)
&rst
ixpk= 942, nxpk= 15, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 205, 206, 207, 209, 210, 211,
&end
#
# 70 THR HN 10 GLY HN 5.50 (# 943:15 Unique 4.22, 4.28 A)
&rst
ixpk= 943, nxpk= 15, iat=1108, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ARG HN 10 GLY HN 4.50 (# 944:15 Unique 4.40, 4.45 A)
&rst
ixpk= 944, nxpk= 15, iat= 175, 168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ASP HA 10 GLY HN 2.80 (# 945:15 Unique 2.34, 2.36 A)
&rst
ixpk= 945, nxpk= 15, iat= 158, 168, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 10 GLY HA+ 10 GLY HN 3.50 (# 946:15 Unique 2.46, 2.75 A)
&rst
ixpk= 946, nxpk= 15, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 170, 171,
&end
#
# 11 ARG HA 10 GLY HN 5.50 (# 947:15 Unique 4.93, 5.08 A)
&rst
ixpk= 947, nxpk= 15, iat= 177, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 GLY HA- 10 GLY HN 3.50 (# 948:15 Unique 2.46, 2.75 A)
&rst
ixpk= 948, nxpk= 15, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 170, 171,
&end
#
# 9 ASP HB3 10 GLY HN 5.50 (# 949:15 Unique 3.48, 3.61 A)
&rst
ixpk= 949, nxpk= 15, iat= 161, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 ASP HB2 10 GLY HN 5.50 (# 950:15 Unique 3.96, 4.03 A)
&rst
ixpk= 950, nxpk= 15, iat= 160, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:952 10 GLY HN 5.50 (# 952:15 Single Ambig)
&rst
ixpk= 952, nxpk= 15, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1114,1115,1116, 699, 700, 701, 703, 704, 705,
&end
#
# 12 VAL QG- 10 GLY HN 4.50 (# 953:15 Unique 2.62, 4.23 A)
&rst
ixpk= 953, nxpk= 15, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 205, 206, 207, 209, 210, 211,
&end
#
# 83 HIS HN 82 GLY HN 2.80 (# 956:15 Unique 1.79, 2.15 A)
&rst
ixpk= 956, nxpk= 15, iat=1296,1289, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 81 GLU HA 82 GLY HN 4.50 (# 959:15 Unique 2.11, 2.38 A)
&rst
ixpk= 959, nxpk= 15, iat=1276,1289, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 GLY HA+ 82 GLY HN 3.50 (# 960:15 Unique 2.29, 2.79 A)
&rst
ixpk= 960, nxpk= 15, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1291,1292,
&end
#
# 82 GLY HA- 82 GLY HN 2.80 (# 961:15 Unique 2.29, 2.79 A)
&rst
ixpk= 961, nxpk= 15, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1291,1292,
&end
#
# 81 GLU QB 82 GLY HN 4.50 (# 963:15 Unique 2.21, 3.88 A)
&rst
ixpk= 963, nxpk= 15, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1278,1279,
&end
#
# 80 LEU QB 82 GLY HN 4.50 (# 964:15 Unique 3.73, 5.35 A)
&rst
ixpk= 964, nxpk= 15, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1259,1260,
&end
#
# 86 PHE HN 32 GLY HN 5.50 (# 969:15 Unique 4.17, 4.43 A)
&rst
ixpk= 969, nxpk= 15, iat=1354, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 SER HN 32 GLY HN 5.50 (# 970:15 Unique 3.58, 3.77 A)
&rst
ixpk= 970, nxpk= 15, iat=1374, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:971 32 GLY HN 2.80 (# 971:15 Single Ambig)
&rst
ixpk= 971, nxpk= 15, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1356, 533, 534,
&end
#
# 31 ALA HA 32 GLY HN 2.80 (# 972:15 Unique 2.41, 2.45 A)
&rst
ixpk= 972, nxpk= 15, iat= 523, 531, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 15-2:973 32 GLY HN 4.50 (# 973:15 Single Ambig)
&rst
ixpk= 973, nxpk= 15, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1340,1341,1300,
&end
#
# 32 GLY HA- 32 GLY HN 3.50 (# 974:15 Unique 2.59, 2.81 A)
&rst
ixpk= 974, nxpk= 15, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 533, 534,
&end
#
# 31 ALA QB 32 GLY HN 3.50 (# 975:15 Unique 2.44, 3.44 A)
&rst
ixpk= 975, nxpk= 15, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 525, 526, 527,
&end
#
# 33 TRP HA 32 GLY HN 5.50 (# 976:15 Unique 4.66, 4.75 A)
&rst
ixpk= 976, nxpk= 15, iat= 540, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 PHE HB2 32 GLY HN 4.50 (# 977:15 Unique 3.66, 3.92 A)
&rst
ixpk= 977, nxpk= 15, iat=1358, 531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 ARG HN 40 GLY HN 3.50 (# 979:15 Unique 2.41, 2.60 A)
&rst
ixpk= 979, nxpk= 15, iat= 669, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 15-2:981 40 GLY HN 3.50 (# 981:15 Single Ambig)
&rst
ixpk= 981, nxpk= 15, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 652, 616,
&end
#
# 40 GLY HA+ 40 GLY HN 3.50 (# 982:15 Unique 2.29, 2.68 A)
&rst
ixpk= 982, nxpk= 15, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 664, 665,
&end
#
# 40 GLY HA- 40 GLY HN 2.80 (# 983:15 Unique 2.29, 2.68 A)
&rst
ixpk= 983, nxpk= 15, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 664, 665,
&end
#
# 62 ASN HA 63 GLY HN 4.50 (# 986:15 Unique 3.56, 3.56 A)
&rst
ixpk= 986, nxpk= 15, iat= 995,1007, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 15-2:987 63 GLY HN 5.50 (# 987:15 Single Ambig)
&rst
ixpk= 987, nxpk= 15, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 975, 976, 697,
&end
#
# 61 LYS HN 63 GLY HN 5.50 (# 988:15 Unique 4.28, 4.34 A)
&rst
ixpk= 988, nxpk= 15, iat= 971,1007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 LYS HA 63 GLY HN 5.50 (# 989:15 Unique 4.34, 4.46 A)
&rst
ixpk= 989, nxpk= 15, iat= 973,1007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ASN QB 63 GLY HN 3.50 (# 990:15 Unique 2.56, 3.24 A)
&rst
ixpk= 990, nxpk= 15, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 997, 998,
&end
#
# 62 ASN HN 63 GLY HN 3.50 (# 991:15 Unique 1.98, 2.09 A)
&rst
ixpk= 991, nxpk= 15, iat= 993,1007, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 ASN HD2- 63 GLY HN 5.50 (# 992:15 Unique 3.61, 4.51 A)
&rst
ixpk= 992, nxpk= 15, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1002,1003,
&end
#
# 63 GLY HA+ 63 GLY HN 3.50 (# 993:15 Unique 2.29, 2.61 A)
&rst
ixpk= 993, nxpk= 15, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1009,1010,
&end
#
# 63 GLY HA- 63 GLY HN 2.80 (# 994:15 Unique 2.29, 2.61 A)
&rst
ixpk= 994, nxpk= 15, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1009,1010,
&end
#
# 0 AMB 15-2:995 63 GLY HN 4.50 (# 995:15 Single Ambig)
&rst
ixpk= 995, nxpk= 15, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104, 353, 354, 355, 357, 358, 359,
&end
#
# 62 ASN HD2+ 63 GLY HN 5.50 (# 996:15 Unique 3.61, 4.51 A)
&rst
ixpk= 996, nxpk= 15, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1002,1003,
&end
#
# 50 GLU HN 2 LEU HN 5.50 (# 997:15 Unique 3.55, 3.97 A)
&rst
ixpk= 997, nxpk= 15, iat= 808, 21, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1002 10 GLY HN 5.50 (# 1002:15 Single Ambig)
&rst
ixpk= 1002, nxpk= 15, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 199,1122, 227, 228,
&end
#
# 0 AMB 15-2:1003 10 GLY HN 5.50 (# 1003:15 Single Ambig)
&rst
ixpk= 1003, nxpk= 15, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
1103,1104,1098,1099,1100,1102,1103,1104,
&end
#
# 0 AMB 15-2:1004 11 ARG HN 5.50 (# 1004:15 Single Ambig)
&rst
ixpk= 1004, nxpk= 15, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104, 146, 147, 148, 150, 151, 152,
&end
#
# 11 ARG HN 12 VAL HN 5.50 (# 1005:15 Unique 3.79, 3.86 A)
&rst
ixpk= 1005, nxpk= 15, iat= 175, 199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ARG HB+ 12 VAL HN 5.50 (# 1006:15 Unique 4.47, 4.57 A)
&rst
ixpk= 1006, nxpk= 15, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 179, 180,
&end
#
# 34 VAL HN 35 LYS HN 5.50 (# 1007:15 Unique 4.25, 4.31 A)
&rst
ixpk= 1007, nxpk= 15, iat= 562, 578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 LEU QD+ 28 ARG HN 5.50 (# 1008:15 Unique 4.25, 5.68 A)
&rst
ixpk= 1008, nxpk= 15, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 511, 512, 513, 515, 516, 517,
&end
#
# 26 ASP HA 28 ARG HN 5.50 (# 1009:15 Unique 3.85, 4.19 A)
&rst
ixpk= 1009, nxpk= 15, iat= 424, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ASP HN 28 ARG HN 5.50 (# 1010:15 Unique 4.32, 4.44 A)
&rst
ixpk= 1010, nxpk= 15, iat= 422, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ASP HN 29 LYS HN 5.50 (# 1011:15 Unique 4.73, 4.90 A)
&rst
ixpk= 1011, nxpk= 15, iat= 422, 480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 ILE QG2 34 VAL HN 5.50 (# 1012:15 Unique 4.88, 5.85 A)
&rst
ixpk= 1012, nxpk= 15, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1391,1392,1393,
&end
#
# 35 LYS HN 36 ASN HN 5.50 (# 1013:15 Unique 4.39, 4.42 A)
&rst
ixpk= 1013, nxpk= 15, iat= 578, 600, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ARG HN 39 ASP HN 5.50 (# 1014:15 Unique 4.68, 4.85 A)
&rst
ixpk= 1014, nxpk= 15, iat= 614, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1015 40 GLY HN 5.50 (# 1015:15 Single Ambig)
&rst
ixpk= 1015, nxpk= 15, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 604, 605, 642, 643,
&end
#
# 37 ARG HN 40 GLY HN 5.50 (# 1016:15 Unique 3.83, 4.00 A)
&rst
ixpk= 1016, nxpk= 15, iat= 614, 662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 SER HN 66 PHE HN 4.50 (# 1021:15 Unique 2.60, 2.63 A)
&rst
ixpk= 1021, nxpk= 15, iat=1059,1039, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 VAL QG- 67 SER HN 5.50 (# 1022:15 Unique 4.05, 5.11 A)
&rst
ixpk= 1022, nxpk= 15, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 245, 246, 247, 249, 250, 251,
&end
#
# 36 ASN HN 36 ASN HD2+ 5.50 (# 1023:15 Unique 2.93, 4.85 A)
&rst
ixpk= 1023, nxpk= 15, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 609, 610,
&end
#
# 75 THR HB 0 AMB 15-1:1025 3.50 (# 1025:15 Single Ambig)
&rst
ixpk= 1025, nxpk= 15, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1180, 78,
&end
#
# 24 GLU HG- 24 GLU HN 4.50 (# 1026:15 Unique 2.33, 3.06 A)
&rst
ixpk= 1026, nxpk= 15, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 404, 405,
&end
#
# 80 LEU HN 81 GLU HN 5.50 (# 1027:15 Unique 4.16, 4.41 A)
&rst
ixpk= 1027, nxpk= 15, iat=1255,1274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 HIS HN 81 GLU HN 5.50 (# 1028:15 Unique 4.62, 5.71 A)
&rst
ixpk= 1028, nxpk= 15, iat=1296,1274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 15-2:1029 81 GLU HN 5.50 (# 1029:15 Single Ambig)
&rst
ixpk= 1029, nxpk= 15, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1291,1292,1249,
&end
#
# 25 ALA HA 28 ARG HN 5.50 (# 1030:15 Unique 3.78, 4.03 A)
&rst
ixpk= 1030, nxpk= 15, iat= 414, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 LYS QD 28 ARG HN 4.50 (# 1031:15 Unique 2.49, 4.93 A)
&rst
ixpk= 1031, nxpk= 15, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 444, 445,
&end
#
# 65 PRO HB- 66 PHE HN 5.50 (# 1032:15 Unique 2.74, 3.76 A)
&rst
ixpk= 1032, nxpk= 15, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1032,1033,
&end
#
# 53 LEU HA 57 VAL HN 5.50 (# 1033:15 Unique 3.84, 4.00 A)
&rst
ixpk= 1033, nxpk= 15, iat= 849, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:0 2 LEU HB- 2.80 (# 0:25 Single Ambig)
&rst
ixpk= 0, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 30, 31, 32, 34, 35, 36, 30, 31, 32, 34,
35, 36,
igr2= 25, 26,
&end
#
# 3 GLN HN 2 LEU HB- 4.50 (# 1:25 Unique 2.76, 3.63 A)
&rst
ixpk= 1, nxpk= 25, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 25, 26,
&end
#
# 2 LEU HA 2 LEU HB- 4.50 (# 2:25 Unique 2.51, 2.83 A)
&rst
ixpk= 2, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 25, 26,
&end
#
# 2 LEU HN 2 LEU HB- 3.50 (# 4:25 Unique 2.61, 2.97 A)
&rst
ixpk= 4, nxpk= 25, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 25, 26,
&end
#
# 53 LEU QD- 2 LEU HB- 3.50 (# 5:25 Unique 2.23, 5.33 A)
&rst
ixpk= 5, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 856, 857, 858, 860, 861, 862,
igr2= 25, 26,
&end
#
# 82 GLY HN 82 GLY HA+ 2.80 (# 6:25 Unique 2.29, 2.79 A)
&rst
ixpk= 6, nxpk= 25, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1291,1292,
&end
#
# 82 GLY HN 82 GLY HA- 2.80 (# 8:25 Unique 2.29, 2.79 A)
&rst
ixpk= 8, nxpk= 25, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1291,1292,
&end
#
# 83 HIS HN 82 GLY HA- 3.50 (# 9:25 Unique 2.72, 3.31 A)
&rst
ixpk= 9, nxpk= 25, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1291,1292,
&end
#
# 83 HIS HN 82 GLY HA+ 4.50 (# 11:25 Unique 2.72, 3.31 A)
&rst
ixpk= 11, nxpk= 25, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1291,1292,
&end
#
# 30 LEU QD- 48 GLY HA+ 2.80 (# 12:25 Unique 2.03, 4.15 A)
&rst
ixpk= 12, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 511, 512, 513, 515, 516, 517,
igr2= 789, 790,
&end
#
# 49 PRO HD- 48 GLY HA+ 2.80 (# 13:25 Unique 2.22, 2.80 A)
&rst
ixpk= 13, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 795, 796,
igr2= 789, 790,
&end
#
# 30 LEU QD- 48 GLY HA- 3.50 (# 14:25 Unique 2.03, 4.15 A)
&rst
ixpk= 14, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 511, 512, 513, 515, 516, 517,
igr2= 789, 790,
&end
#
# 48 GLY HN 48 GLY HA- 3.50 (# 15:25 Unique 2.65, 2.83 A)
&rst
ixpk= 15, nxpk= 25, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 789, 790,
&end
#
# 1 MET QE 48 GLY HA- 4.50 (# 16:25 Unique 2.10, 3.59 A)
&rst
ixpk= 16, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 15, 16, 17,
igr2= 789, 790,
&end
#
# 41 ARG HN 40 GLY HA- 4.50 (# 17:25 Unique 3.04, 3.33 A)
&rst
ixpk= 17, nxpk= 25, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 664, 665,
&end
#
# 41 ARG QD 9 ASP HB2 4.50 (# 19:25 Unique 2.33, 4.32 A)
&rst
ixpk= 19, nxpk= 25, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 679, 680,
&end
#
# 0 AMB 25-3:20 9 ASP HB2 4.50 (# 20:25 Single Ambig)
&rst
ixpk= 20, nxpk= 25, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 156, 168,
&end
#
# 41 ARG HG+ 9 ASP HB2 5.50 (# 21:25 Unique 2.40, 3.18 A)
&rst
ixpk= 21, nxpk= 25, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 676, 677,
&end
#
# 17 PHE HZ 63 GLY HA+ 5.50 (# 22:25 Unique 3.64, 4.30 A)
&rst
ixpk= 22, nxpk= 25, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1009,1010,
&end
#
# 0 AMB 25-3:23 0 AMB 25-1:23 4.50 (# 23:25 Double Ambig)
&rst
ixpk= 23, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104, 353, 354, 355, 357, 358, 359,
igr2=1009,1010,1009,1010,1009,1010,
&end
#
# 63 GLY HN 63 GLY HA+ 2.80 (# 24:25 Unique 2.29, 2.61 A)
&rst
ixpk= 24, nxpk= 25, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1009,1010,
&end
#
# 62 ASN HD2- 63 GLY HA+ 5.50 (# 25:25 Unique 4.23, 5.22 A)
&rst
ixpk= 25, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1002,1003,
igr2=1009,1010,
&end
#
# 0 AMB 25-3:28 63 GLY HA- 4.50 (# 28:25 Single Ambig)
&rst
ixpk= 28, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104, 353, 354, 355, 357, 358, 359,
igr2=1009,1010,
&end
#
# 0 AMB 25-3:30 0 AMB 25-1:30 2.80 (# 30:25 Double Ambig)
&rst
ixpk= 30, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1007, 662,
igr2=1009,1010, 664, 665,
&end
#
# 62 ASN HD2- 63 GLY HA- 5.50 (# 31:25 Unique 4.23, 5.22 A)
&rst
ixpk= 31, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1002,1003,
igr2=1009,1010,
&end
#
# 0 AMB 25-3:32 9 ASP HB3 2.80 (# 32:25 Single Ambig)
&rst
ixpk= 32, nxpk= 25, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 156, 168,
&end
#
# 9 ASP HA 9 ASP HB3 3.50 (# 33:25 Unique 3.02, 3.03 A)
&rst
ixpk= 33, nxpk= 25, iat= 158, 161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ASP HA 9 ASP HB2 3.50 (# 35:25 Unique 2.55, 2.59 A)
&rst
ixpk= 35, nxpk= 25, iat= 158, 160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 ASP HN 9 ASP HB2 5.50 (# 37:25 Unique 4.07, 4.34 A)
&rst
ixpk= 37, nxpk= 25, iat=1122, 160, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 THR HN 10 GLY HA- 3.50 (# 38:25 Unique 2.42, 2.95 A)
&rst
ixpk= 38, nxpk= 25, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 170, 171,
&end
#
# 11 ARG HN 10 GLY HA- 3.50 (# 39:25 Unique 2.21, 2.57 A)
&rst
ixpk= 39, nxpk= 25, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 170, 171,
&end
#
# 10 GLY HN 10 GLY HA- 2.80 (# 40:25 Unique 2.46, 2.75 A)
&rst
ixpk= 40, nxpk= 25, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 170, 171,
&end
#
# 70 THR QG2 10 GLY HA- 3.50 (# 42:25 Unique 2.49, 3.56 A)
&rst
ixpk= 42, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1114,1115,1116,
igr2= 170, 171,
&end
#
# 69 VAL HA 10 GLY HA- 4.50 (# 43:25 Unique 2.28, 3.37 A)
&rst
ixpk= 43, nxpk= 25, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 170, 171,
&end
#
# 71 ASP HN 71 ASP HB+ 3.50 (# 45:25 Unique 2.93, 3.23 A)
&rst
ixpk= 45, nxpk= 25, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1126,1127,
&end
#
# 72 ILE HN 71 ASP HB+ 5.50 (# 48:25 Unique 3.56, 3.83 A)
&rst
ixpk= 48, nxpk= 25, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1126,1127,
&end
#
# 9 ASP HN 71 ASP HB- 5.50 (# 49:25 Unique 3.06, 4.20 A)
&rst
ixpk= 49, nxpk= 25, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1126,1127,
&end
#
# 71 ASP HN 71 ASP HB- 3.50 (# 50:25 Unique 2.93, 3.23 A)
&rst
ixpk= 50, nxpk= 25, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1126,1127,
&end
#
# 72 ILE HN 71 ASP HB- 5.50 (# 53:25 Unique 3.56, 3.83 A)
&rst
ixpk= 53, nxpk= 25, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1126,1127,
&end
#
# 28 ARG HB3 28 ARG HD+ 5.50 (# 57:25 Unique 3.68, 3.98 A)
&rst
ixpk= 57, nxpk= 25, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 466, 467,
&end
#
# 52 ALA QB 28 ARG HD+ 5.50 (# 58:25 Unique 2.91, 4.27 A)
&rst
ixpk= 58, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 841, 842, 843,
igr2= 466, 467,
&end
#
# 56 PHE QD 28 ARG HD- 5.50 (# 60:25 Unique 6.88, 9.06 A)
&rst
ixpk= 60, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 902, 910,
igr2= 466, 467,
&end
#
# 0 AMB 25-3:61 28 ARG HD- 5.50 (# 61:25 Single Ambig)
&rst
ixpk= 61, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 461, 484, 485,
igr2= 466, 467,
&end
#
# 28 ARG HB2 28 ARG HD- 5.50 (# 62:25 Unique 2.46, 3.30 A)
&rst
ixpk= 62, nxpk= 25, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 466, 467,
&end
#
# 27 LYS HA 28 ARG HD- 5.50 (# 63:25 Unique 6.65, 7.57 A)
&rst
ixpk= 63, nxpk= 25, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 466, 467,
&end
#
# 43 GLU HB+ 37 ARG HD+ 4.50 (# 66:25 Unique 2.04, 3.85 A)
&rst
ixpk= 66, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 713, 714,
igr2= 624, 625,
&end
#
# 0 AMB 25-3:67 0 AMB 25-1:67 4.50 (# 67:25 Double Ambig)
&rst
ixpk= 67, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 125, 697,
igr2= 624, 625, 624, 625,
&end
#
# 37 ARG HG- 37 ARG HD+ 3.50 (# 68:25 Unique 2.27, 2.66 A)
&rst
ixpk= 68, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 621, 622,
igr2= 624, 625,
&end
#
# 43 GLU HB- 37 ARG HD+ 3.50 (# 69:25 Unique 2.04, 3.85 A)
&rst
ixpk= 69, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 713, 714,
igr2= 624, 625,
&end
#
# 0 AMB 25-3:70 0 AMB 25-1:70 4.50 (# 70:25 Double Ambig)
&rst
ixpk= 70, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 134, 135, 136, 127, 128, 129,
igr2= 624, 625, 624, 625,
&end
#
# 28 ARG HB2 28 ARG HD+ 5.50 (# 72:25 Unique 2.46, 3.30 A)
&rst
ixpk= 72, nxpk= 25, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 466, 467,
&end
#
# 28 ARG HA 28 ARG HD+ 5.50 (# 74:25 Unique 2.14, 3.12 A)
&rst
ixpk= 74, nxpk= 25, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 466, 467,
&end
#
# 0 AMB 25-3:76 0 AMB 25-1:76 5.50 (# 76:25 Double Ambig)
&rst
ixpk= 76, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 655, 161,
igr2= 679, 680, 624, 625,
&end
#
# 0 AMB 25-3:77 0 AMB 25-1:77 2.80 (# 77:25 Double Ambig)
&rst
ixpk= 77, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 127, 128, 129, 134, 135, 136,
igr2= 679, 680, 624, 625,
&end
#
# 41 ARG HE 41 ARG QD 3.50 (# 78:25 Unique 2.21, 2.76 A)
&rst
ixpk= 78, nxpk= 25, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 679, 680,
&end
#
# 9 ASP HA 41 ARG QD 3.50 (# 79:25 Unique 2.51, 4.69 A)
&rst
ixpk= 79, nxpk= 25, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 679, 680,
&end
#
# 41 ARG QB 0 AMB 25-1:81 2.80 (# 81:25 Single Ambig)
&rst
ixpk= 81, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 673, 674,
igr2= 624, 625, 679, 680,
&end
#
# 0 AMB 25-3:82 0 AMB 25-1:82 2.80 (# 82:25 Double Ambig)
&rst
ixpk= 82, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 676, 677, 621, 622,
igr2= 679, 680, 624, 625,
&end
#
# 27 LYS QD 28 ARG HD- 4.50 (# 85:25 Unique 6.38, 8.17 A)
&rst
ixpk= 85, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 444, 445,
igr2= 466, 467,
&end
#
# 11 ARG HB+ 11 ARG HD+ 3.50 (# 86:25 Unique 2.33, 3.33 A)
&rst
ixpk= 86, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 179, 180,
igr2= 185, 186,
&end
#
# 11 ARG HG+ 11 ARG HD+ 2.80 (# 87:25 Unique 2.32, 2.63 A)
&rst
ixpk= 87, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 182, 183,
igr2= 185, 186,
&end
#
# 15 VAL QG+ 11 ARG HD+ 4.50 (# 88:25 Unique 2.27, 4.67 A)
&rst
ixpk= 88, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 245, 246, 247, 249, 250, 251,
igr2= 185, 186,
&end
#
# 9 ASP HB2 41 ARG QD 3.50 (# 89:25 Unique 2.33, 4.32 A)
&rst
ixpk= 89, nxpk= 25, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 679, 680,
&end
#
# 41 ARG HN 41 ARG QD 4.50 (# 90:25 Unique 2.17, 3.16 A)
&rst
ixpk= 90, nxpk= 25, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 679, 680,
&end
#
# 41 ARG HG+ 41 ARG QD 2.80 (# 91:25 Unique 2.25, 2.69 A)
&rst
ixpk= 91, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 676, 677,
igr2= 679, 680,
&end
#
# 37 ARG HB3 37 ARG HD- 4.50 (# 92:25 Unique 2.39, 3.30 A)
&rst
ixpk= 92, nxpk= 25, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 624, 625,
&end
#
# 42 VAL HN 0 AMB 25-1:93 5.50 (# 93:25 Single Ambig)
&rst
ixpk= 93, nxpk= 25, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 679, 680, 624, 625,
&end
#
# 33 TRP HN 32 GLY HA- 2.80 (# 95:25 Unique 2.29, 2.62 A)
&rst
ixpk= 95, nxpk= 25, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 533, 534,
&end
#
# 46 ALA HA 32 GLY HA- 4.50 (# 96:25 Unique 2.16, 3.00 A)
&rst
ixpk= 96, nxpk= 25, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 533, 534,
&end
#
# 45 LEU QD+ 32 GLY HA- 4.50 (# 98:25 Unique 2.90, 5.48 A)
&rst
ixpk= 98, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 752, 753, 754, 756, 757, 758,
igr2= 533, 534,
&end
#
# 0 AMB 25-3:99 0 AMB 25-1:99 3.50 (# 99:25 Double Ambig)
&rst
ixpk= 99, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 177,1061,
igr2= 185, 186, 185, 186,
&end
#
# 0 AMB 25-3:100 0 AMB 25-1:100 2.80 (# 100:25 Double Ambig)
&rst
ixpk= 100, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1227,1228,1224,1225, 182, 183, 179, 180,
igr2=1230,1231, 185, 186, 185, 186,
&end
#
# 85 ARG QB 85 ARG QD 2.80 (# 101:25 Unique 2.22, 3.38 A)
&rst
ixpk= 101, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1334,1335,
igr2=1340,1341,
&end
#
# 85 ARG HG- 85 ARG QD 2.80 (# 102:25 Unique 2.21, 2.70 A)
&rst
ixpk= 102, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1337,1338,
igr2=1340,1341,
&end
#
# 5 ARG HB3 5 ARG HD+ 5.50 (# 103:25 Unique 2.45, 3.01 A)
&rst
ixpk= 103, nxpk= 25, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 88, 89,
&end
#
# 5 ARG HG- 5 ARG HD+ 3.50 (# 106:25 Unique 2.35, 2.70 A)
&rst
ixpk= 106, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 85, 86,
igr2= 88, 89,
&end
#
# 5 ARG HG+ 5 ARG HD+ 3.50 (# 107:25 Unique 2.35, 2.70 A)
&rst
ixpk= 107, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 85, 86,
igr2= 88, 89,
&end
#
# 78 ARG HA 78 ARG QD 5.50 (# 108:25 Unique 2.17, 4.36 A)
&rst
ixpk= 108, nxpk= 25, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1230,1231,
&end
#
# 78 ARG HB+ 78 ARG QD 3.50 (# 109:25 Unique 2.27, 3.05 A)
&rst
ixpk= 109, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1224,1225,
igr2=1230,1231,
&end
#
# 0 AMB 25-3:110 78 ARG QD 4.50 (# 110:25 Single Ambig)
&rst
ixpk= 110, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 30, 31, 32, 34, 35, 36, 30, 31, 32, 34,
35, 36,
igr2=1230,1231,
&end
#
# 85 ARG HG+ 85 ARG QD 2.80 (# 112:25 Unique 2.21, 2.70 A)
&rst
ixpk= 112, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1337,1338,
igr2=1340,1341,
&end
#
# 45 LEU QD- 5 ARG HD- 5.50 (# 113:25 Unique 2.39, 5.60 A)
&rst
ixpk= 113, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 752, 753, 754, 756, 757, 758,
igr2= 88, 89,
&end
#
# 5 ARG HB3 5 ARG HD- 4.50 (# 114:25 Unique 2.45, 3.01 A)
&rst
ixpk= 114, nxpk= 25, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 88, 89,
&end
#
# 5 ARG HG- 5 ARG HD- 3.50 (# 115:25 Unique 2.35, 2.70 A)
&rst
ixpk= 115, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 85, 86,
igr2= 88, 89,
&end
#
# 5 ARG HG+ 5 ARG HD- 3.50 (# 116:25 Unique 2.35, 2.70 A)
&rst
ixpk= 116, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 85, 86,
igr2= 88, 89,
&end
#
# 5 ARG HE 5 ARG HD- 4.50 (# 117:25 Unique 2.30, 2.80 A)
&rst
ixpk= 117, nxpk= 25, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 88, 89,
&end
#
# 45 LEU HA 5 ARG HD- 5.50 (# 118:25 Unique 5.16, 5.92 A)
&rst
ixpk= 118, nxpk= 25, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 88, 89,
&end
#
# 31 ALA HN 30 LEU HB2 5.50 (# 120:25 Unique 3.29, 3.42 A)
&rst
ixpk= 120, nxpk= 25, iat= 521, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 LEU HN 30 LEU HB2 3.50 (# 121:25 Unique 2.40, 2.48 A)
&rst
ixpk= 121, nxpk= 25, iat= 502, 506, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 LEU HA 30 LEU HB2 5.50 (# 122:25 Unique 3.04, 3.04 A)
&rst
ixpk= 122, nxpk= 25, iat= 504, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 LEU HG 30 LEU HB2 4.50 (# 123:25 Unique 2.23, 2.40 A)
&rst
ixpk= 123, nxpk= 25, iat= 509, 506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 LEU QD- 30 LEU HB2 4.50 (# 127:25 Unique 2.41, 3.56 A)
&rst
ixpk= 127, nxpk= 25, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 511, 512, 513, 515, 516, 517,
&end
#
# 0 AMB 25-3:128 30 LEU HB2 3.50 (# 128:25 Single Ambig)
&rst
ixpk= 128, nxpk= 25, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 416, 417, 418, 511, 512, 513, 515, 516, 517,
&end
#
# 30 LEU HG 30 LEU HB3 5.50 (# 129:25 Unique 2.91, 3.02 A)
&rst
ixpk= 129, nxpk= 25, iat= 509, 507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 LEU HA 30 LEU HB3 4.50 (# 130:25 Unique 2.43, 2.46 A)
&rst
ixpk= 130, nxpk= 25, iat= 504, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 LEU QD- 30 LEU HB3 4.50 (# 131:25 Unique 2.37, 3.14 A)
&rst
ixpk= 131, nxpk= 25, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 511, 512, 513, 515, 516, 517,
&end
#
# 30 LEU QD+ 30 LEU HB3 3.50 (# 132:25 Unique 2.37, 3.14 A)
&rst
ixpk= 132, nxpk= 25, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 511, 512, 513, 515, 516, 517,
&end
#
# 31 ALA HN 30 LEU HB3 3.50 (# 133:25 Unique 2.14, 2.27 A)
&rst
ixpk= 133, nxpk= 25, iat= 521, 507, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 LEU HN 30 LEU HB3 4.50 (# 134:25 Unique 3.56, 3.58 A)
&rst
ixpk= 134, nxpk= 25, iat= 502, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 LEU QD- 5 ARG HD+ 5.50 (# 137:25 Unique 2.39, 5.60 A)
&rst
ixpk= 137, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 752, 753, 754, 756, 757, 758,
igr2= 88, 89,
&end
#
# 30 LEU HG 30 LEU HB3 5.50 (# 138:25 Unique 2.91, 3.02 A)
&rst
ixpk= 138, nxpk= 25, iat= 509, 507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ARG QG 18 ARG HD+ 3.50 (# 140:25 Unique 2.28, 2.73 A)
&rst
ixpk= 140, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 289, 290,
igr2= 292, 293,
&end
#
# 34 VAL QG+ 18 ARG HD- 5.50 (# 142:25 Unique 2.21, 4.97 A)
&rst
ixpk= 142, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 568, 569, 570, 572, 573, 574,
igr2= 292, 293,
&end
#
# 45 LEU HN 45 LEU HB+ 4.50 (# 143:25 Unique 2.91, 3.07 A)
&rst
ixpk= 143, nxpk= 25, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 747, 748,
&end
#
# 45 LEU HA 45 LEU HB+ 4.50 (# 144:25 Unique 2.56, 2.81 A)
&rst
ixpk= 144, nxpk= 25, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 747, 748,
&end
#
# 45 LEU HG 45 LEU HB+ 4.50 (# 145:25 Unique 2.45, 2.77 A)
&rst
ixpk= 145, nxpk= 25, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 747, 748,
&end
#
# 45 LEU QD+ 45 LEU HB+ 4.50 (# 146:25 Unique 2.29, 3.32 A)
&rst
ixpk= 146, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 752, 753, 754, 756, 757, 758,
igr2= 747, 748,
&end
#
# 33 TRP HN 45 LEU HB+ 5.50 (# 149:25 Unique 2.87, 3.76 A)
&rst
ixpk= 149, nxpk= 25, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 747, 748,
&end
#
# 45 LEU HG 45 LEU HB- 4.50 (# 150:25 Unique 2.45, 2.77 A)
&rst
ixpk= 150, nxpk= 25, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 747, 748,
&end
#
# 45 LEU QD- 45 LEU HB- 4.50 (# 151:25 Unique 2.29, 3.32 A)
&rst
ixpk= 151, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 752, 753, 754, 756, 757, 758,
igr2= 747, 748,
&end
#
# 45 LEU HN 45 LEU HB- 4.50 (# 154:25 Unique 2.91, 3.07 A)
&rst
ixpk= 154, nxpk= 25, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 747, 748,
&end
#
# 45 LEU HA 45 LEU HB- 5.50 (# 155:25 Unique 2.56, 2.81 A)
&rst
ixpk= 155, nxpk= 25, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 747, 748,
&end
#
# 0 AMB 25-3:157 0 AMB 25-1:157 4.50 (# 157:25 Double Ambig)
&rst
ixpk= 157, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 222, 223, 591, 592,
igr2= 292, 293, 292, 293,
&end
#
# 0 AMB 25-3:158 0 AMB 25-1:158 5.50 (# 158:25 Double Ambig)
&rst
ixpk= 158, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 568, 569, 570, 572, 573, 574, 699, 700, 701, 703,
704, 705,
igr2= 292, 293, 292, 293,
&end
#
# 88 ILE QG2 18 ARG HD+ 4.50 (# 159:25 Unique 2.19, 3.44 A)
&rst
ixpk= 159, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1391,1392,1393,
igr2= 292, 293,
&end
#
# 0 AMB 25-3:160 18 ARG HD- 5.50 (# 160:25 Single Ambig)
&rst
ixpk= 160, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 222, 223, 591, 592,
igr2= 292, 293,
&end
#
# 18 ARG QG 18 ARG HD- 3.50 (# 162:25 Unique 2.28, 2.73 A)
&rst
ixpk= 162, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 289, 290,
igr2= 292, 293,
&end
#
# 88 ILE QG2 18 ARG HD- 3.50 (# 163:25 Unique 2.19, 3.44 A)
&rst
ixpk= 163, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1391,1392,1393,
igr2= 292, 293,
&end
#
# 80 LEU QD- 80 LEU QB 3.50 (# 164:25 Unique 2.42, 3.41 A)
&rst
ixpk= 164, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1264,1265,1266,1268,1269,1270,
igr2=1259,1260,
&end
#
# 81 GLU HN 80 LEU QB 4.50 (# 165:25 Unique 2.02, 3.13 A)
&rst
ixpk= 165, nxpk= 25, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1259,1260,
&end
#
# 82 GLY HN 80 LEU QB 4.50 (# 166:25 Unique 3.73, 5.35 A)
&rst
ixpk= 166, nxpk= 25, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1259,1260,
&end
#
# 80 LEU HN 80 LEU QB 3.50 (# 167:25 Unique 2.66, 3.34 A)
&rst
ixpk= 167, nxpk= 25, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1259,1260,
&end
#
# 80 LEU HA 80 LEU QB 3.50 (# 168:25 Unique 2.49, 2.86 A)
&rst
ixpk= 168, nxpk= 25, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1259,1260,
&end
#
# 80 LEU QD+ 80 LEU QB 2.80 (# 169:25 Unique 2.42, 3.41 A)
&rst
ixpk= 169, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1264,1265,1266,1268,1269,1270,
igr2=1259,1260,
&end
#
# 45 LEU QD- 45 LEU HB+ 3.50 (# 170:25 Unique 2.29, 3.32 A)
&rst
ixpk= 170, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 752, 753, 754, 756, 757, 758,
igr2= 747, 748,
&end
#
# 33 TRP HN 45 LEU HB- 5.50 (# 171:25 Unique 2.87, 3.76 A)
&rst
ixpk= 171, nxpk= 25, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 747, 748,
&end
#
# 45 LEU QD+ 45 LEU HB- 4.50 (# 172:25 Unique 2.29, 3.32 A)
&rst
ixpk= 172, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 752, 753, 754, 756, 757, 758,
igr2= 747, 748,
&end
#
# 44 ILE HN 44 ILE HB 3.50 (# 173:25 Unique 2.72, 2.78 A)
&rst
ixpk= 173, nxpk= 25, iat= 724, 728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:174 44 ILE HB 2.80 (# 174:25 Single Ambig)
&rst
ixpk= 174, nxpk= 25, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 730, 731, 732, 734, 735,
&end
#
# 29 LYS QB 29 LYS QE 5.50 (# 177:25 Unique 2.15, 4.22 A)
&rst
ixpk= 177, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 484, 485,
igr2= 493, 494,
&end
#
# 29 LYS HD- 29 LYS QE 3.50 (# 178:25 Unique 2.34, 2.69 A)
&rst
ixpk= 178, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 490, 491,
igr2= 493, 494,
&end
#
# 0 AMB 25-3:179 0 AMB 25-1:179 3.50 (# 179:25 Double Ambig)
&rst
ixpk= 179, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 487, 488, 978, 979,
igr2= 493, 494, 984, 985,
&end
#
# 68 LYS QD 68 LYS QE 2.80 (# 180:25 Unique 2.38, 2.71 A)
&rst
ixpk= 180, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1080,1081,
igr2=1083,1084,
&end
#
# 70 THR QG2 68 LYS QE 4.50 (# 181:25 Unique 2.88, 5.22 A)
&rst
ixpk= 181, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1114,1115,1116,
igr2=1083,1084,
&end
#
# 68 LYS HG+ 68 LYS QE 4.50 (# 182:25 Unique 2.47, 3.08 A)
&rst
ixpk= 182, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1077,1078,
igr2=1083,1084,
&end
#
# 6 ILE HN 6 ILE HB 3.50 (# 184:25 Unique 2.62, 2.65 A)
&rst
ixpk= 184, nxpk= 25, iat= 102, 106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 ILE QD1 6 ILE HB 2.80 (# 185:25 Unique 2.61, 3.34 A)
&rst
ixpk= 185, nxpk= 25, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 115, 116, 117,
&end
#
# 0 AMB 25-3:186 6 ILE HB 2.80 (# 186:25 Single Ambig)
&rst
ixpk= 186, nxpk= 25, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 108, 109, 110, 737, 738, 739,
&end
#
# 68 LYS HG- 68 LYS QE 5.50 (# 187:25 Unique 2.47, 3.08 A)
&rst
ixpk= 187, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1077,1078,
igr2=1083,1084,
&end
#
# 27 LYS QD 27 LYS HE- 2.80 (# 193:25 Unique 2.34, 2.75 A)
&rst
ixpk= 193, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 444, 445,
igr2= 447, 448,
&end
#
# 27 LYS QB 27 LYS HE- 4.50 (# 196:25 Unique 4.21, 4.53 A)
&rst
ixpk= 196, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 438, 439,
igr2= 447, 448,
&end
#
# 35 LYS HG+ 35 LYS HE- 4.50 (# 198:25 Unique 2.24, 3.23 A)
&rst
ixpk= 198, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 585, 586,
igr2= 591, 592,
&end
#
# 33 TRP HD1 35 LYS HE- 4.50 (# 199:25 Unique 2.48, 3.30 A)
&rst
ixpk= 199, nxpk= 25, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 591, 592,
&end
#
# 35 LYS HD- 35 LYS HE- 3.50 (# 201:25 Unique 2.35, 2.77 A)
&rst
ixpk= 201, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 588, 589,
igr2= 591, 592,
&end
#
# 0 AMB 25-3:203 0 AMB 25-1:203 5.50 (# 203:25 Double Ambig)
&rst
ixpk= 203, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 582, 621, 622,
igr2= 591, 592, 591, 592,
&end
#
# 35 LYS HG+ 35 LYS HE+ 5.50 (# 205:25 Unique 2.24, 3.23 A)
&rst
ixpk= 205, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 585, 586,
igr2= 591, 592,
&end
#
# 35 LYS HD+ 35 LYS HE+ 3.50 (# 206:25 Unique 2.35, 2.77 A)
&rst
ixpk= 206, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 588, 589,
igr2= 591, 592,
&end
#
# 35 LYS HG- 35 LYS HE+ 3.50 (# 207:25 Unique 2.24, 3.23 A)
&rst
ixpk= 207, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 585, 586,
igr2= 591, 592,
&end
#
# 27 LYS QB 27 LYS HE+ 5.50 (# 210:25 Unique 4.21, 4.53 A)
&rst
ixpk= 210, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 438, 439,
igr2= 447, 448,
&end
#
# 27 LYS QD 27 LYS HE+ 3.50 (# 211:25 Unique 2.34, 2.75 A)
&rst
ixpk= 211, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 444, 445,
igr2= 447, 448,
&end
#
# 27 LYS QG 27 LYS HE+ 3.50 (# 212:25 Unique 2.29, 2.81 A)
&rst
ixpk= 212, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 441, 442,
igr2= 447, 448,
&end
#
# 72 ILE HA 72 ILE HB 3.50 (# 213:25 Unique 2.37, 2.41 A)
&rst
ixpk= 213, nxpk= 25, iat=1136,1138, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:215 72 ILE HB 2.80 (# 215:25 Single Ambig)
&rst
ixpk= 215, nxpk= 25, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 146, 147, 148, 150, 151, 152,1144,1145,1098,1099,
1100,1102,1103,1104,1098,1099,1100,1102,1103,1104,
&end
#
# 72 ILE QG2 72 ILE HB 2.80 (# 216:25 Unique 2.40, 2.65 A)
&rst
ixpk= 216, nxpk= 25, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1140,1141,1142,
&end
#
# 72 ILE HN 72 ILE HB 5.50 (# 217:25 Unique 3.28, 3.50 A)
&rst
ixpk= 217, nxpk= 25, iat=1134,1138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ILE HG1+ 72 ILE HB 3.50 (# 219:25 Unique 2.41, 2.76 A)
&rst
ixpk= 219, nxpk= 25, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1144,1145,
&end
#
# 73 SER HN 72 ILE HB 4.50 (# 220:25 Unique 3.47, 4.01 A)
&rst
ixpk= 220, nxpk= 25, iat=1153,1138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU HA 53 LEU HB2 4.50 (# 222:25 Unique 2.23, 2.99 A)
&rst
ixpk= 222, nxpk= 25, iat= 849, 851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU QD+ 53 LEU HB2 4.50 (# 223:25 Unique 2.38, 3.53 A)
&rst
ixpk= 223, nxpk= 25, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 50 GLU HA 53 LEU HB2 5.50 (# 224:25 Unique 2.27, 2.53 A)
&rst
ixpk= 224, nxpk= 25, iat= 810, 851, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LEU HG 53 LEU HB2 4.50 (# 225:25 Unique 2.37, 2.44 A)
&rst
ixpk= 225, nxpk= 25, iat= 854, 851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 PHE QD 53 LEU HB3 5.50 (# 226:25 Unique 4.52, 6.38 A)
&rst
ixpk= 226, nxpk= 25, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 902, 910,
&end
#
# 53 LEU QD- 53 LEU HB3 3.50 (# 227:25 Unique 2.35, 3.17 A)
&rst
ixpk= 227, nxpk= 25, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 17 PHE QD 17 PHE HB+ 4.50 (# 228:25 Unique 2.35, 3.07 A)
&rst
ixpk= 228, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 270, 278,
igr2= 266, 267,
&end
#
# 17 PHE QD 17 PHE HB- 3.50 (# 230:25 Unique 2.35, 3.07 A)
&rst
ixpk= 230, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 270, 278,
igr2= 266, 267,
&end
#
# 17 PHE HA 17 PHE HB- 4.50 (# 231:25 Unique 2.47, 2.77 A)
&rst
ixpk= 231, nxpk= 25, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 266, 267,
&end
#
# 53 LEU QD- 53 LEU HB2 3.50 (# 235:25 Unique 2.38, 3.53 A)
&rst
ixpk= 235, nxpk= 25, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 54 GLN HN 53 LEU HB2 4.50 (# 236:25 Unique 2.63, 2.84 A)
&rst
ixpk= 236, nxpk= 25, iat= 866, 851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU HN 53 LEU HB2 3.50 (# 237:25 Unique 2.38, 2.56 A)
&rst
ixpk= 237, nxpk= 25, iat= 847, 851, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 LEU HG 53 LEU HB3 4.50 (# 238:25 Unique 2.25, 2.95 A)
&rst
ixpk= 238, nxpk= 25, iat= 854, 852, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU QD+ 53 LEU HB3 4.50 (# 241:25 Unique 2.35, 3.17 A)
&rst
ixpk= 241, nxpk= 25, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 0 AMB 25-3:243 53 LEU HB3 4.50 (# 243:25 Single Ambig)
&rst
ixpk= 243, nxpk= 25, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 849, 795, 796,
&end
#
# 53 LEU HN 53 LEU HB3 4.50 (# 244:25 Unique 1.98, 3.45 A)
&rst
ixpk= 244, nxpk= 25, iat= 847, 852, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 VAL QG- 17 PHE HB- 4.50 (# 245:25 Unique 2.18, 5.33 A)
&rst
ixpk= 245, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 245, 246, 247, 249, 250, 251,
igr2= 266, 267,
&end
#
# 4 TYR HA 4 TYR HB2 4.50 (# 246:25 Unique 2.38, 2.41 A)
&rst
ixpk= 246, nxpk= 25, iat= 59, 61, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 TYR HN 4 TYR HB2 5.50 (# 247:25 Unique 3.88, 3.91 A)
&rst
ixpk= 247, nxpk= 25, iat= 57, 61, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 VAL QG+ 4 TYR HB2 5.50 (# 248:25 Unique 3.04, 5.17 A)
&rst
ixpk= 248, nxpk= 25, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1170,1171,1172,1174,1175,1176,
&end
#
# 4 TYR QD 4 TYR HB2 4.50 (# 249:25 Unique 2.55, 3.09 A)
&rst
ixpk= 249, nxpk= 25, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 65, 74,
&end
#
# 6 ILE QD1 4 TYR HB2 4.50 (# 250:25 Unique 2.23, 3.28 A)
&rst
ixpk= 250, nxpk= 25, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 115, 116, 117,
&end
#
# 53 LEU QD+ 4 TYR HB2 5.50 (# 251:25 Unique 4.89, 6.58 A)
&rst
ixpk= 251, nxpk= 25, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 4 TYR HN 4 TYR HB3 4.50 (# 252:25 Unique 3.50, 3.58 A)
&rst
ixpk= 252, nxpk= 25, iat= 57, 62, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 TYR QD 4 TYR HB3 3.50 (# 253:25 Unique 2.30, 3.07 A)
&rst
ixpk= 253, nxpk= 25, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 65, 74,
&end
#
# 0 AMB 25-3:254 4 TYR HB3 5.50 (# 254:25 Single Ambig)
&rst
ixpk= 254, nxpk= 25, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 78,1180,
&end
#
# 0 AMB 25-3:255 4 TYR HB3 4.50 (# 255:25 Single Ambig)
&rst
ixpk= 255, nxpk= 25, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 115, 116, 117, 30, 31, 32, 34, 35, 36,
&end
#
# 74 VAL QG+ 4 TYR HB3 5.50 (# 256:25 Unique 3.80, 5.69 A)
&rst
ixpk= 256, nxpk= 25, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1170,1171,1172,1174,1175,1176,
&end
#
# 57 VAL HN 56 PHE HB3 3.50 (# 257:25 Unique 2.81, 3.22 A)
&rst
ixpk= 257, nxpk= 25, iat= 914, 899, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 PHE HA 86 PHE HB3 4.50 (# 258:25 Unique 3.01, 3.02 A)
&rst
ixpk= 258, nxpk= 25, iat=1356,1359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLN QG 86 PHE HB3 5.50 (# 259:25 Unique 3.25, 4.24 A)
&rst
ixpk= 259, nxpk= 25, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 370, 371,
&end
#
# 86 PHE QD 86 PHE HB2 4.50 (# 262:25 Unique 2.35, 3.08 A)
&rst
ixpk= 262, nxpk= 25, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1362,1370,
&end
#
# 86 PHE HA 86 PHE HB2 3.50 (# 263:25 Unique 2.50, 2.54 A)
&rst
ixpk= 263, nxpk= 25, iat=1356,1358, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 GLN QG 86 PHE HB2 5.50 (# 265:25 Unique 4.87, 5.92 A)
&rst
ixpk= 265, nxpk= 25, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 370, 371,
&end
#
# 86 PHE HN 86 PHE HB2 4.50 (# 266:25 Unique 2.55, 2.81 A)
&rst
ixpk= 266, nxpk= 25, iat=1354,1358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 TYR HA 4 TYR HB3 4.50 (# 267:25 Unique 2.38, 2.41 A)
&rst
ixpk= 267, nxpk= 25, iat= 59, 62, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 ILE HG1+ 4 TYR HB3 4.50 (# 269:25 Unique 3.64, 4.11 A)
&rst
ixpk= 269, nxpk= 25, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 112, 113,
&end
#
# 30 LEU QD+ 56 PHE HB3 4.50 (# 271:25 Unique 3.55, 5.57 A)
&rst
ixpk= 271, nxpk= 25, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 511, 512, 513, 515, 516, 517,
&end
#
# 56 PHE HN 56 PHE HB3 3.50 (# 272:25 Unique 2.46, 2.96 A)
&rst
ixpk= 272, nxpk= 25, iat= 894, 899, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 PHE HA 56 PHE HB3 5.50 (# 273:25 Unique 2.50, 2.83 A)
&rst
ixpk= 273, nxpk= 25, iat= 896, 899, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 PHE QD 56 PHE HB3 3.50 (# 275:25 Unique 2.27, 3.07 A)
&rst
ixpk= 275, nxpk= 25, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 902, 910,
&end
#
# 86 PHE QD 86 PHE HB3 4.50 (# 276:25 Unique 2.51, 3.11 A)
&rst
ixpk= 276, nxpk= 25, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1362,1370,
&end
#
# 86 PHE HN 86 PHE HB3 3.50 (# 277:25 Unique 2.53, 2.71 A)
&rst
ixpk= 277, nxpk= 25, iat=1354,1359, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 ALA QB 86 PHE HB3 5.50 (# 278:25 Unique 2.99, 3.69 A)
&rst
ixpk= 278, nxpk= 25, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 416, 417, 418,
&end
#
# 30 LEU QD+ 56 PHE HB2 4.50 (# 279:25 Unique 3.16, 5.28 A)
&rst
ixpk= 279, nxpk= 25, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 511, 512, 513, 515, 516, 517,
&end
#
# 53 LEU HA 56 PHE HB2 5.50 (# 280:25 Unique 2.06, 2.67 A)
&rst
ixpk= 280, nxpk= 25, iat= 849, 898, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 VAL HN 56 PHE HB2 5.50 (# 281:25 Unique 2.73, 3.57 A)
&rst
ixpk= 281, nxpk= 25, iat= 914, 898, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 PHE HN 56 PHE HB2 3.50 (# 282:25 Unique 2.22, 2.37 A)
&rst
ixpk= 282, nxpk= 25, iat= 894, 898, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 PHE HA 56 PHE HB2 3.50 (# 283:25 Unique 2.46, 2.72 A)
&rst
ixpk= 283, nxpk= 25, iat= 896, 898, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 ALA QB 86 PHE HB2 4.50 (# 285:25 Unique 2.52, 3.47 A)
&rst
ixpk= 285, nxpk= 25, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 416, 417, 418,
&end
#
# 53 LEU HA 56 PHE HB3 4.50 (# 286:25 Unique 2.28, 2.90 A)
&rst
ixpk= 286, nxpk= 25, iat= 849, 899, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 PHE QD 56 PHE HB2 3.50 (# 287:25 Unique 2.75, 3.14 A)
&rst
ixpk= 287, nxpk= 25, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 902, 910,
&end
#
# 38 ASP HA 38 ASP QB 2.80 (# 288:25 Unique 2.44, 2.74 A)
&rst
ixpk= 288, nxpk= 25, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 642, 643,
&end
#
# 39 ASP HA 39 ASP HB2 3.50 (# 289:25 Unique 2.25, 2.41 A)
&rst
ixpk= 289, nxpk= 25, iat= 652, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 ASP HN 26 ASP HB2 2.80 (# 293:25 Unique 2.28, 2.40 A)
&rst
ixpk= 293, nxpk= 25, iat= 422, 426, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 26 ASP HA 26 ASP HB2 2.80 (# 294:25 Unique 2.50, 2.53 A)
&rst
ixpk= 294, nxpk= 25, iat= 424, 426, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 23 MET HA 26 ASP HB2 3.50 (# 295:25 Unique 2.80, 2.82 A)
&rst
ixpk= 295, nxpk= 25, iat= 382, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 LYS HN 26 ASP HB2 5.50 (# 296:25 Unique 3.69, 3.78 A)
&rst
ixpk= 296, nxpk= 25, iat= 434, 426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:297 39 ASP HB3 5.50 (# 297:25 Single Ambig)
&rst
ixpk= 297, nxpk= 25, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 679, 680, 624, 625,
&end
#
# 39 ASP HA 39 ASP HB3 3.50 (# 298:25 Unique 2.47, 2.89 A)
&rst
ixpk= 298, nxpk= 25, iat= 652, 655, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 ASP HN 26 ASP HB3 3.50 (# 300:25 Unique 2.59, 2.67 A)
&rst
ixpk= 300, nxpk= 25, iat= 422, 427, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 LYS HN 26 ASP HB3 4.50 (# 301:25 Unique 2.45, 2.55 A)
&rst
ixpk= 301, nxpk= 25, iat= 434, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 ASP HA 26 ASP HB3 3.50 (# 302:25 Unique 3.03, 3.04 A)
&rst
ixpk= 302, nxpk= 25, iat= 424, 427, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 MET HA 26 ASP HB3 3.50 (# 303:25 Unique 2.38, 2.52 A)
&rst
ixpk= 303, nxpk= 25, iat= 382, 427, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 TYR QD 90 TYR HB2 3.50 (# 304:25 Unique 2.55, 3.10 A)
&rst
ixpk= 304, nxpk= 25, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1428,1437,
&end
#
# 90 TYR HA 90 TYR HB2 3.50 (# 305:25 Unique 2.47, 2.49 A)
&rst
ixpk= 305, nxpk= 25, iat=1422,1424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 TYR HN 90 TYR HB3 4.50 (# 308:25 Unique 2.43, 2.48 A)
&rst
ixpk= 308, nxpk= 25, iat=1420,1425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 TYR HN 90 TYR HB2 4.50 (# 309:25 Unique 2.40, 2.52 A)
&rst
ixpk= 309, nxpk= 25, iat=1420,1424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 GLY HN 62 ASN QB 3.50 (# 310:25 Unique 2.56, 3.24 A)
&rst
ixpk= 310, nxpk= 25, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 997, 998,
&end
#
# 62 ASN HD2+ 62 ASN QB 2.80 (# 311:25 Unique 2.38, 3.43 A)
&rst
ixpk= 311, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1002,1003,
igr2= 997, 998,
&end
#
# 62 ASN HN 62 ASN QB 2.80 (# 312:25 Unique 2.58, 2.73 A)
&rst
ixpk= 312, nxpk= 25, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 997, 998,
&end
#
# 62 ASN HD2- 62 ASN QB 3.50 (# 313:25 Unique 2.38, 3.43 A)
&rst
ixpk= 313, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1002,1003,
igr2= 997, 998,
&end
#
# 62 ASN HA 62 ASN QB 2.80 (# 314:25 Unique 2.49, 2.79 A)
&rst
ixpk= 314, nxpk= 25, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 997, 998,
&end
#
# 59 ALA HA 62 ASN QB 3.50 (# 315:25 Unique 2.91, 3.22 A)
&rst
ixpk= 315, nxpk= 25, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 997, 998,
&end
#
# 0 AMB 25-3:316 62 ASN QB 5.50 (# 316:25 Single Ambig)
&rst
ixpk= 316, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 978, 979, 949, 950, 951,
igr2= 997, 998,
&end
#
# 90 TYR QD 90 TYR HB3 3.50 (# 317:25 Unique 2.38, 3.07 A)
&rst
ixpk= 317, nxpk= 25, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1428,1437,
&end
#
# 73 SER HN 7 ILE HB 5.50 (# 318:25 Unique 3.36, 3.49 A)
&rst
ixpk= 318, nxpk= 25, iat=1153, 125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:319 7 ILE HB 5.50 (# 319:25 Single Ambig)
&rst
ixpk= 319, nxpk= 25, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1144,1145, 146, 147, 148, 150, 151, 152,
&end
#
# 7 ILE HN 7 ILE HB 3.50 (# 320:25 Unique 2.63, 2.72 A)
&rst
ixpk= 320, nxpk= 25, iat= 121, 125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:321 7 ILE HB 4.50 (# 321:25 Single Ambig)
&rst
ixpk= 321, nxpk= 25, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 676, 677, 85, 86,
&end
#
# 0 AMB 25-3:322 7 ILE HB 2.80 (# 322:25 Single Ambig)
&rst
ixpk= 322, nxpk= 25, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 127, 128, 129, 134, 135, 136,
&end
#
# 7 ILE HA 7 ILE HB 3.50 (# 323:25 Unique 3.01, 3.03 A)
&rst
ixpk= 323, nxpk= 25, iat= 123, 125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 SER QB 7 ILE HB 3.50 (# 324:25 Unique 2.22, 3.16 A)
&rst
ixpk= 324, nxpk= 25, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1157,1158,
&end
#
# 88 ILE HG1- 88 ILE HB 2.80 (# 326:25 Unique 2.33, 2.80 A)
&rst
ixpk= 326, nxpk= 25, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1395,1396,
&end
#
# 88 ILE HG1+ 88 ILE HB 4.50 (# 327:25 Unique 2.33, 2.80 A)
&rst
ixpk= 327, nxpk= 25, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1395,1396,
&end
#
# 66 PHE HA 66 PHE HB+ 4.50 (# 328:25 Unique 2.41, 2.73 A)
&rst
ixpk= 328, nxpk= 25, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1043,1044,
&end
#
# 66 PHE QD 66 PHE HB+ 4.50 (# 330:25 Unique 2.33, 3.09 A)
&rst
ixpk= 330, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1047,1055,
igr2=1043,1044,
&end
#
# 15 VAL HB 66 PHE HB+ 4.50 (# 331:25 Unique 2.24, 2.76 A)
&rst
ixpk= 331, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1043,1044,
&end
#
# 15 VAL QG+ 66 PHE HB+ 5.50 (# 332:25 Unique 2.55, 4.45 A)
&rst
ixpk= 332, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 245, 246, 247, 249, 250, 251,
igr2=1043,1044,
&end
#
# 21 VAL HN 20 PHE HB+ 5.50 (# 333:25 Unique 2.53, 3.24 A)
&rst
ixpk= 333, nxpk= 25, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 331, 332,
&end
#
# 20 PHE HN 20 PHE HB+ 3.50 (# 334:25 Unique 2.36, 2.51 A)
&rst
ixpk= 334, nxpk= 25, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 331, 332,
&end
#
# 20 PHE HA 20 PHE HB+ 3.50 (# 335:25 Unique 2.36, 2.74 A)
&rst
ixpk= 335, nxpk= 25, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 331, 332,
&end
#
# 20 PHE HN 20 PHE HB- 3.50 (# 338:25 Unique 2.36, 2.51 A)
&rst
ixpk= 338, nxpk= 25, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 331, 332,
&end
#
# 17 PHE QE 20 PHE HB- 3.50 (# 339:25 Unique 5.66, 6.98 A)
&rst
ixpk= 339, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 272, 276,
igr2= 331, 332,
&end
#
# 20 PHE HA 20 PHE HB- 3.50 (# 340:25 Unique 2.36, 2.74 A)
&rst
ixpk= 340, nxpk= 25, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 331, 332,
&end
#
# 15 VAL HB 66 PHE HB- 4.50 (# 341:25 Unique 2.24, 2.76 A)
&rst
ixpk= 341, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1043,1044,
&end
#
# 66 PHE HA 66 PHE HB- 4.50 (# 343:25 Unique 2.41, 2.73 A)
&rst
ixpk= 343, nxpk= 25, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1043,1044,
&end
#
# 66 PHE QD 66 PHE HB- 4.50 (# 344:25 Unique 2.33, 3.09 A)
&rst
ixpk= 344, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1047,1055,
igr2=1043,1044,
&end
#
# 88 ILE QD1 88 ILE HB 3.50 (# 345:25 Unique 2.40, 3.07 A)
&rst
ixpk= 345, nxpk= 25, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1398,1399,1400,
&end
#
# 88 ILE HN 88 ILE HB 2.80 (# 346:25 Unique 2.42, 2.46 A)
&rst
ixpk= 346, nxpk= 25, iat=1385,1389, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 ILE HA 88 ILE HB 5.50 (# 347:25 Unique 3.04, 3.05 A)
&rst
ixpk= 347, nxpk= 25, iat=1387,1389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 ILE QG2 88 ILE HB 3.50 (# 349:25 Unique 2.38, 2.68 A)
&rst
ixpk= 349, nxpk= 25, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1391,1392,1393,
&end
#
# 36 ASN HN 36 ASN HB+ 3.50 (# 352:25 Unique 2.22, 2.89 A)
&rst
ixpk= 352, nxpk= 25, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 604, 605,
&end
#
# 36 ASN HA 36 ASN HB+ 4.50 (# 353:25 Unique 2.25, 2.62 A)
&rst
ixpk= 353, nxpk= 25, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 604, 605,
&end
#
# 36 ASN HD2+ 36 ASN HB- 3.50 (# 354:25 Unique 2.16, 3.43 A)
&rst
ixpk= 354, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 609, 610,
igr2= 604, 605,
&end
#
# 36 ASN HN 36 ASN HB- 3.50 (# 355:25 Unique 2.22, 2.89 A)
&rst
ixpk= 355, nxpk= 25, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 604, 605,
&end
#
# 36 ASN HA 36 ASN HB- 3.50 (# 356:25 Unique 2.25, 2.62 A)
&rst
ixpk= 356, nxpk= 25, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 604, 605,
&end
#
# 35 LYS HN 35 LYS HB2 4.50 (# 358:25 Unique 3.90, 3.94 A)
&rst
ixpk= 358, nxpk= 25, iat= 578, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 LYS HG+ 35 LYS HB2 2.80 (# 359:25 Unique 2.42, 2.75 A)
&rst
ixpk= 359, nxpk= 25, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 585, 586,
&end
#
# 35 LYS HD+ 35 LYS HB2 4.50 (# 360:25 Unique 2.59, 3.21 A)
&rst
ixpk= 360, nxpk= 25, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 588, 589,
&end
#
# 89 VAL QG- 35 LYS HB2 5.50 (# 362:25 Unique 3.13, 4.16 A)
&rst
ixpk= 362, nxpk= 25, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1410,1411,1412,1414,1415,1416,
&end
#
# 36 ASN HN 35 LYS HB2 4.50 (# 363:25 Unique 2.45, 2.68 A)
&rst
ixpk= 363, nxpk= 25, iat= 600, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 LYS HA 35 LYS HB2 3.50 (# 364:25 Unique 2.38, 2.42 A)
&rst
ixpk= 364, nxpk= 25, iat= 580, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:365 35 LYS HB3 4.50 (# 365:25 Single Ambig)
&rst
ixpk= 365, nxpk= 25, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 600, 709,
&end
#
# 89 VAL QG- 35 LYS HB3 4.50 (# 367:25 Unique 2.43, 3.62 A)
&rst
ixpk= 367, nxpk= 25, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1410,1411,1412,1414,1415,1416,
&end
#
# 35 LYS HD- 35 LYS HB3 3.50 (# 368:25 Unique 2.52, 3.37 A)
&rst
ixpk= 368, nxpk= 25, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 588, 589,
&end
#
# 35 LYS HA 35 LYS HB3 4.50 (# 369:25 Unique 2.51, 2.53 A)
&rst
ixpk= 369, nxpk= 25, iat= 580, 583, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 PHE HN 19 TYR HB+ 3.50 (# 370:25 Unique 2.58, 3.28 A)
&rst
ixpk= 370, nxpk= 25, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 310, 311,
&end
#
# 19 TYR QD 19 TYR HB+ 2.80 (# 371:25 Unique 2.41, 3.09 A)
&rst
ixpk= 371, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 314, 323,
igr2= 310, 311,
&end
#
# 19 TYR HA 19 TYR HB+ 2.80 (# 372:25 Unique 2.46, 2.76 A)
&rst
ixpk= 372, nxpk= 25, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 310, 311,
&end
#
# 36 ASN HD2+ 36 ASN HB+ 3.50 (# 374:25 Unique 2.16, 3.43 A)
&rst
ixpk= 374, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 609, 610,
igr2= 604, 605,
&end
#
# 35 LYS HN 35 LYS HB3 5.50 (# 375:25 Unique 3.14, 3.23 A)
&rst
ixpk= 375, nxpk= 25, iat= 578, 583, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 VAL QG+ 35 LYS HB3 5.50 (# 376:25 Unique 2.43, 3.62 A)
&rst
ixpk= 376, nxpk= 25, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1410,1411,1412,1414,1415,1416,
&end
#
# 3 GLN HE2- 81 GLU HG- 4.50 (# 382:25 Unique 3.19, 5.02 A)
&rst
ixpk= 382, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 52, 53,
igr2=1281,1282,
&end
#
# 81 GLU QB 81 GLU HG+ 2.80 (# 384:25 Unique 2.17, 2.63 A)
&rst
ixpk= 384, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1278,1279,
igr2=1281,1282,
&end
#
# 3 GLN HE2+ 81 GLU HG+ 4.50 (# 386:25 Unique 3.19, 5.02 A)
&rst
ixpk= 386, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 52, 53,
igr2=1281,1282,
&end
#
# 81 GLU QB 81 GLU HG- 2.80 (# 387:25 Unique 2.17, 2.63 A)
&rst
ixpk= 387, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1278,1279,
igr2=1281,1282,
&end
#
# 0 AMB 25-3:388 81 GLU HG- 3.50 (# 388:25 Single Ambig)
&rst
ixpk= 388, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1276, 789, 790,
igr2=1281,1282,
&end
#
# 81 GLU HN 81 GLU HG+ 4.50 (# 389:25 Unique 2.50, 4.24 A)
&rst
ixpk= 389, nxpk= 25, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1281,1282,
&end
#
# 3 GLN HE2- 81 GLU HG+ 3.50 (# 390:25 Unique 3.19, 5.02 A)
&rst
ixpk= 390, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 52, 53,
igr2=1281,1282,
&end
#
# 0 AMB 25-3:391 0 AMB 25-1:391 3.50 (# 391:25 Double Ambig)
&rst
ixpk= 391, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1276, 789, 790,
igr2=1281,1282,1281,1282,
&end
#
# 51 ASN HN 51 ASN QB 4.50 (# 392:25 Unique 2.44, 2.54 A)
&rst
ixpk= 392, nxpk= 25, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 827, 828,
&end
#
# 52 ALA HN 51 ASN QB 4.50 (# 393:25 Unique 2.43, 3.37 A)
&rst
ixpk= 393, nxpk= 25, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 827, 828,
&end
#
# 51 ASN HA 51 ASN QB 2.80 (# 395:25 Unique 2.44, 2.76 A)
&rst
ixpk= 395, nxpk= 25, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 827, 828,
&end
#
# 3 GLN HA 3 GLN HG- 4.50 (# 398:25 Unique 2.28, 2.86 A)
&rst
ixpk= 398, nxpk= 25, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 47, 48,
&end
#
# 3 GLN HB2 3 GLN HG- 4.50 (# 399:25 Unique 2.51, 2.82 A)
&rst
ixpk= 399, nxpk= 25, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 47, 48,
&end
#
# 4 TYR HN 3 GLN HG- 5.50 (# 400:25 Unique 2.37, 2.97 A)
&rst
ixpk= 400, nxpk= 25, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 47, 48,
&end
#
# 3 GLN HE2- 3 GLN HG- 4.50 (# 401:25 Unique 2.46, 3.54 A)
&rst
ixpk= 401, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 52, 53,
igr2= 47, 48,
&end
#
# 3 GLN HB3 3 GLN HG- 3.50 (# 402:25 Unique 2.20, 2.65 A)
&rst
ixpk= 402, nxpk= 25, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 47, 48,
&end
#
# 4 TYR HN 3 GLN HG+ 4.50 (# 404:25 Unique 2.37, 2.97 A)
&rst
ixpk= 404, nxpk= 25, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 47, 48,
&end
#
# 3 GLN HA 3 GLN HG+ 3.50 (# 405:25 Unique 2.28, 2.86 A)
&rst
ixpk= 405, nxpk= 25, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 47, 48,
&end
#
# 3 GLN HE2+ 3 GLN HG+ 3.50 (# 406:25 Unique 2.46, 3.54 A)
&rst
ixpk= 406, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 52, 53,
igr2= 47, 48,
&end
#
# 3 GLN HE2+ 3 GLN HG- 5.50 (# 407:25 Unique 2.46, 3.54 A)
&rst
ixpk= 407, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 52, 53,
igr2= 47, 48,
&end
#
# 45 LEU QD+ 3 GLN HG- 4.50 (# 409:25 Unique 2.34, 4.20 A)
&rst
ixpk= 409, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 752, 753, 754, 756, 757, 758,
igr2= 47, 48,
&end
#
# 77 SER HN 76 GLU QG 5.50 (# 411:25 Unique 3.51, 4.14 A)
&rst
ixpk= 411, nxpk= 25, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1201,1202,
&end
#
# 0 AMB 25-3:412 0 AMB 25-1:412 4.50 (# 412:25 Double Ambig)
&rst
ixpk= 412, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1170,1171,1172,1174,1175,1176, 856, 857, 858, 860,
861, 862,
igr2=1201,1202, 815, 816,
&end
#
# 50 GLU HA 50 GLU QG 3.50 (# 413:25 Unique 2.58, 2.94 A)
&rst
ixpk= 413, nxpk= 25, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 815, 816,
&end
#
# 3 GLN HB2 3 GLN HG+ 2.80 (# 414:25 Unique 2.51, 2.82 A)
&rst
ixpk= 414, nxpk= 25, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 47, 48,
&end
#
# 3 GLN HB3 3 GLN HG+ 3.50 (# 415:25 Unique 2.20, 2.65 A)
&rst
ixpk= 415, nxpk= 25, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 47, 48,
&end
#
# 45 LEU QD- 3 GLN HG+ 5.50 (# 418:25 Unique 2.34, 4.20 A)
&rst
ixpk= 418, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 752, 753, 754, 756, 757, 758,
igr2= 47, 48,
&end
#
# 45 LEU QD+ 3 GLN HG+ 5.50 (# 419:25 Unique 2.34, 4.20 A)
&rst
ixpk= 419, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 752, 753, 754, 756, 757, 758,
igr2= 47, 48,
&end
#
# 54 GLN HG+ 50 GLU QG 5.50 (# 423:25 Unique 2.62, 3.42 A)
&rst
ixpk= 423, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 873, 874,
igr2= 815, 816,
&end
#
# 0 AMB 25-3:424 0 AMB 25-1:424 5.50 (# 424:25 Double Ambig)
&rst
ixpk= 424, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 65, 74, 832, 833,
igr2=1201,1202, 815, 816,
&end
#
# 76 GLU HA 76 GLU QG 4.50 (# 426:25 Unique 2.42, 2.63 A)
&rst
ixpk= 426, nxpk= 25, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1201,1202,
&end
#
# 76 GLU HN 76 GLU QG 4.50 (# 427:25 Unique 3.14, 4.03 A)
&rst
ixpk= 427, nxpk= 25, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1201,1202,
&end
#
# 0 AMB 25-3:429 0 AMB 25-1:429 3.50 (# 429:25 Double Ambig)
&rst
ixpk= 429, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 30, 31, 32, 34, 35, 36, 30, 31, 32, 34,
35, 36, 30, 31, 32, 34, 35, 36,
igr2= 815, 816,1201,1202,
&end
#
# 2 LEU HB- 50 GLU QG 5.50 (# 430:25 Unique 3.40, 4.68 A)
&rst
ixpk= 430, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 25, 26,
igr2= 815, 816,
&end
#
# 44 ILE HN 43 GLU HG+ 4.50 (# 433:25 Unique 2.34, 2.91 A)
&rst
ixpk= 433, nxpk= 25, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 716, 717,
&end
#
# 0 AMB 25-3:435 0 AMB 25-1:435 5.50 (# 435:25 Double Ambig)
&rst
ixpk= 435, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 85, 86, 981, 982,
igr2= 716, 717, 937, 938,
&end
#
# 0 AMB 25-3:436 58 GLU HG- 4.50 (# 436:25 Single Ambig)
&rst
ixpk= 436, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 945, 883,
igr2= 937, 938,
&end
#
# 0 AMB 25-3:437 0 AMB 25-1:437 5.50 (# 437:25 Double Ambig)
&rst
ixpk= 437, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 542, 543, 997, 998,
igr2= 716, 717, 937, 938,
&end
#
# 7 ILE QD1 43 GLU HG+ 5.50 (# 438:25 Unique 2.30, 3.87 A)
&rst
ixpk= 438, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 134, 135, 136,
igr2= 716, 717,
&end
#
# 33 TRP HD1 43 GLU HG+ 4.50 (# 439:25 Unique 3.35, 4.68 A)
&rst
ixpk= 439, nxpk= 25, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 716, 717,
&end
#
# 43 GLU HA 43 GLU HG+ 3.50 (# 440:25 Unique 2.39, 2.90 A)
&rst
ixpk= 440, nxpk= 25, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 716, 717,
&end
#
# 43 GLU HB- 43 GLU HG+ 2.80 (# 441:25 Unique 2.29, 2.77 A)
&rst
ixpk= 441, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 713, 714,
igr2= 716, 717,
&end
#
# 58 GLU HN 58 GLU HG+ 3.50 (# 442:25 Unique 2.26, 2.82 A)
&rst
ixpk= 442, nxpk= 25, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 937, 938,
&end
#
# 58 GLU HA 58 GLU HG+ 3.50 (# 444:25 Unique 2.38, 3.00 A)
&rst
ixpk= 444, nxpk= 25, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 937, 938,
&end
#
# 58 GLU HN 58 GLU HG- 3.50 (# 445:25 Unique 2.26, 2.82 A)
&rst
ixpk= 445, nxpk= 25, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 937, 938,
&end
#
# 0 AMB 25-3:446 0 AMB 25-1:446 2.80 (# 446:25 Double Ambig)
&rst
ixpk= 446, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 934, 935, 713, 714,
igr2= 937, 938, 716, 717,
&end
#
# 58 GLU HA 58 GLU HG- 4.50 (# 447:25 Unique 2.38, 3.00 A)
&rst
ixpk= 447, nxpk= 25, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 937, 938,
&end
#
# 55 SER HA 58 GLU HG+ 5.50 (# 448:25 Unique 2.84, 3.47 A)
&rst
ixpk= 448, nxpk= 25, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 937, 938,
&end
#
# 2 LEU HN 1 MET HB+ 5.50 (# 449:25 Unique 2.22, 3.15 A)
&rst
ixpk= 449, nxpk= 25, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 8, 9,
&end
#
# 1 MET HA 1 MET HB+ 4.50 (# 450:25 Unique 2.42, 2.77 A)
&rst
ixpk= 450, nxpk= 25, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 8, 9,
&end
#
# 1 MET HG+ 1 MET HB+ 3.50 (# 451:25 Unique 2.39, 2.69 A)
&rst
ixpk= 451, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 1 MET HG- 1 MET HB+ 4.50 (# 452:25 Unique 2.39, 2.69 A)
&rst
ixpk= 452, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 2 LEU HN 1 MET HB- 3.50 (# 453:25 Unique 2.22, 3.15 A)
&rst
ixpk= 453, nxpk= 25, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 8, 9,
&end
#
# 1 MET HG- 1 MET HB- 3.50 (# 454:25 Unique 2.39, 2.69 A)
&rst
ixpk= 454, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 1 MET HA 1 MET HB- 4.50 (# 455:25 Unique 2.42, 2.77 A)
&rst
ixpk= 455, nxpk= 25, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 8, 9,
&end
#
# 1 MET HG+ 1 MET HB- 3.50 (# 456:25 Unique 2.39, 2.69 A)
&rst
ixpk= 456, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 80 LEU QD- 1 MET HB- 3.50 (# 457:25 Unique 2.28, 6.02 A)
&rst
ixpk= 457, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1264,1265,1266,1268,1269,1270,
igr2= 8, 9,
&end
#
# 80 LEU QD+ 1 MET HB+ 4.50 (# 458:25 Unique 2.28, 6.02 A)
&rst
ixpk= 458, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1264,1265,1266,1268,1269,1270,
igr2= 8, 9,
&end
#
# 8 VAL HB 42 VAL HB 2.80 (# 460:25 Unique 2.24, 2.53 A)
&rst
ixpk= 460, nxpk= 25, iat= 144, 697, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-3:461 42 VAL HB 3.50 (# 461:25 Single Ambig)
&rst
ixpk= 461, nxpk= 25, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 737, 738, 739, 146, 147, 148, 150, 151, 152,
&end
#
# 0 AMB 25-3:463 42 VAL HB 2.80 (# 463:25 Single Ambig)
&rst
ixpk= 463, nxpk= 25, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
704, 705,
&end
#
# 24 GLU HA 24 GLU HG+ 5.50 (# 464:25 Unique 2.88, 3.40 A)
&rst
ixpk= 464, nxpk= 25, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 404, 405,
&end
#
# 24 GLU HN 24 GLU HG+ 3.50 (# 466:25 Unique 2.33, 3.06 A)
&rst
ixpk= 466, nxpk= 25, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 404, 405,
&end
#
# 24 GLU HB2 24 GLU HG- 3.50 (# 468:25 Unique 2.36, 2.45 A)
&rst
ixpk= 468, nxpk= 25, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 404, 405,
&end
#
# 24 GLU HN 24 GLU HG- 4.50 (# 469:25 Unique 2.33, 3.06 A)
&rst
ixpk= 469, nxpk= 25, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 404, 405,
&end
#
# 34 VAL QG+ 34 VAL HB 3.50 (# 471:25 Unique 2.35, 2.66 A)
&rst
ixpk= 471, nxpk= 25, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 568, 569, 570, 572, 573, 574,
&end
#
# 21 VAL QG+ 34 VAL HB 3.50 (# 472:25 Unique 2.31, 4.21 A)
&rst
ixpk= 472, nxpk= 25, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 353, 354, 355, 357, 358, 359,
&end
#
# 34 VAL HA 34 VAL HB 3.50 (# 473:25 Unique 2.41, 2.44 A)
&rst
ixpk= 473, nxpk= 25, iat= 564, 566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:474 34 VAL HB 2.80 (# 474:25 Single Ambig)
&rst
ixpk= 474, nxpk= 25, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 568, 569, 570, 572, 573, 574, 730, 731, 732, 734,
735,
&end
#
# 22 GLN HE2- 34 VAL HB 4.50 (# 475:25 Unique 7.95, 8.96 A)
&rst
ixpk= 475, nxpk= 25, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 375, 376,
&end
#
# 74 VAL HN 74 VAL HB 2.80 (# 476:25 Unique 2.59, 2.71 A)
&rst
ixpk= 476, nxpk= 25, iat=1164,1168, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 8 VAL HN 8 VAL HB 3.50 (# 477:25 Unique 2.71, 2.84 A)
&rst
ixpk= 477, nxpk= 25, iat= 140, 144, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:478 8 VAL HB 3.50 (# 478:25 Single Ambig)
&rst
ixpk= 478, nxpk= 25, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
704, 705, 734, 735,
&end
#
# 74 VAL QG- 74 VAL HB 2.80 (# 479:25 Unique 2.39, 2.66 A)
&rst
ixpk= 479, nxpk= 25, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1170,1171,1172,1174,1175,1176,
&end
#
# 74 VAL QG+ 74 VAL HB 2.80 (# 480:25 Unique 2.39, 2.66 A)
&rst
ixpk= 480, nxpk= 25, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1170,1171,1172,1174,1175,1176,
&end
#
# 54 GLN HN 54 GLN HG+ 2.80 (# 481:25 Unique 2.32, 3.11 A)
&rst
ixpk= 481, nxpk= 25, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 873, 874,
&end
#
# 54 GLN HE2+ 54 GLN HG+ 4.50 (# 482:25 Unique 2.15, 3.29 A)
&rst
ixpk= 482, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 878, 879,
igr2= 873, 874,
&end
#
# 54 GLN HB3 54 GLN HG+ 3.50 (# 484:25 Unique 2.44, 2.77 A)
&rst
ixpk= 484, nxpk= 25, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 873, 874,
&end
#
# 54 GLN HB2 54 GLN HG+ 3.50 (# 485:25 Unique 2.40, 2.47 A)
&rst
ixpk= 485, nxpk= 25, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 873, 874,
&end
#
# 54 GLN HA 54 GLN HG+ 4.50 (# 486:25 Unique 2.67, 3.28 A)
&rst
ixpk= 486, nxpk= 25, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 873, 874,
&end
#
# 54 GLN HN 54 GLN HG- 3.50 (# 487:25 Unique 2.32, 3.11 A)
&rst
ixpk= 487, nxpk= 25, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 873, 874,
&end
#
# 54 GLN HE2+ 54 GLN HG- 3.50 (# 488:25 Unique 2.15, 3.29 A)
&rst
ixpk= 488, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 878, 879,
igr2= 873, 874,
&end
#
# 54 GLN HE2- 54 GLN HG- 4.50 (# 489:25 Unique 2.15, 3.29 A)
&rst
ixpk= 489, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 878, 879,
igr2= 873, 874,
&end
#
# 54 GLN HB3 54 GLN HG- 2.80 (# 491:25 Unique 2.44, 2.77 A)
&rst
ixpk= 491, nxpk= 25, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 873, 874,
&end
#
# 54 GLN HB2 54 GLN HG- 3.50 (# 492:25 Unique 2.40, 2.47 A)
&rst
ixpk= 492, nxpk= 25, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 873, 874,
&end
#
# 0 AMB 25-3:493 8 VAL HB 4.50 (# 493:25 Single Ambig)
&rst
ixpk= 493, nxpk= 25, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 693, 156,
&end
#
# 8 VAL QG+ 8 VAL HB 2.80 (# 495:25 Unique 2.35, 2.66 A)
&rst
ixpk= 495, nxpk= 25, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 146, 147, 148, 150, 151, 152,
&end
#
# 42 VAL HB 8 VAL HB 2.80 (# 496:25 Unique 2.24, 2.53 A)
&rst
ixpk= 496, nxpk= 25, iat= 697, 144, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-3:497 8 VAL HB 2.80 (# 497:25 Single Ambig)
&rst
ixpk= 497, nxpk= 25, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 146, 147, 148, 150, 151, 152, 737, 738, 739,
&end
#
# 54 GLN HA 54 GLN HG- 4.50 (# 498:25 Unique 2.67, 3.28 A)
&rst
ixpk= 498, nxpk= 25, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 873, 874,
&end
#
# 0 AMB 25-3:499 3 GLN HB2 5.50 (# 499:25 Single Ambig)
&rst
ixpk= 499, nxpk= 25, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1213,1214,1249,
&end
#
# 3 GLN HG+ 3 GLN HB2 4.50 (# 500:25 Unique 2.51, 2.82 A)
&rst
ixpk= 500, nxpk= 25, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 47, 48,
&end
#
# 0 AMB 25-3:501 3 GLN HB2 4.50 (# 501:25 Single Ambig)
&rst
ixpk= 501, nxpk= 25, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 40,1244,
&end
#
# 35 LYS HG+ 43 GLU HB- 4.50 (# 503:25 Unique 2.17, 3.24 A)
&rst
ixpk= 503, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 585, 586,
igr2= 713, 714,
&end
#
# 3 GLN HE2+ 3 GLN HB3 4.50 (# 505:25 Unique 3.41, 4.06 A)
&rst
ixpk= 505, nxpk= 25, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 52, 53,
&end
#
# 3 GLN HA 3 GLN HB3 4.50 (# 506:25 Unique 3.01, 3.03 A)
&rst
ixpk= 506, nxpk= 25, iat= 42, 45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:508 3 GLN HB3 4.50 (# 508:25 Single Ambig)
&rst
ixpk= 508, nxpk= 25, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 40,1244,
&end
#
# 68 LYS HN 68 LYS QB 5.50 (# 511:25 Unique 2.89, 3.23 A)
&rst
ixpk= 511, nxpk= 25, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1074,1075,
&end
#
# 0 AMB 25-3:512 43 GLU HB- 4.50 (# 512:25 Single Ambig)
&rst
ixpk= 512, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 134, 135, 136, 127, 128, 129,
igr2= 713, 714,
&end
#
# 0 AMB 25-3:513 0 AMB 25-1:513 4.50 (# 513:25 Double Ambig)
&rst
ixpk= 513, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 624, 625,1213,1214,
igr2= 713, 714, 45,
&end
#
# 43 GLU HA 43 GLU HB- 3.50 (# 514:25 Unique 2.35, 2.73 A)
&rst
ixpk= 514, nxpk= 25, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 713, 714,
&end
#
# 68 LYS HA 68 LYS QB 3.50 (# 518:25 Unique 2.42, 2.77 A)
&rst
ixpk= 518, nxpk= 25, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1074,1075,
&end
#
# 68 LYS HG+ 68 LYS QB 3.50 (# 519:25 Unique 2.39, 2.72 A)
&rst
ixpk= 519, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1077,1078,
igr2=1074,1075,
&end
#
# 68 LYS HN 68 LYS QB 4.50 (# 521:25 Unique 2.89, 3.23 A)
&rst
ixpk= 521, nxpk= 25, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1074,1075,
&end
#
# 68 LYS HA 68 LYS QB 3.50 (# 522:25 Unique 2.42, 2.77 A)
&rst
ixpk= 522, nxpk= 25, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1074,1075,
&end
#
# 68 LYS HG+ 68 LYS QB 3.50 (# 523:25 Unique 2.39, 2.72 A)
&rst
ixpk= 523, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1077,1078,
igr2=1074,1075,
&end
#
# 35 LYS HG+ 43 GLU HB+ 4.50 (# 524:25 Unique 2.17, 3.24 A)
&rst
ixpk= 524, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 585, 586,
igr2= 713, 714,
&end
#
# 43 GLU HA 43 GLU HB+ 4.50 (# 525:25 Unique 2.35, 2.73 A)
&rst
ixpk= 525, nxpk= 25, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 713, 714,
&end
#
# 23 MET HN 22 GLN QG 5.50 (# 529:25 Unique 4.47, 4.74 A)
&rst
ixpk= 529, nxpk= 25, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 370, 371,
&end
#
# 19 TYR HA 22 GLN QG 5.50 (# 530:25 Unique 4.05, 4.67 A)
&rst
ixpk= 530, nxpk= 25, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 370, 371,
&end
#
# 23 MET HA 22 GLN QG 5.50 (# 531:25 Unique 4.55, 5.09 A)
&rst
ixpk= 531, nxpk= 25, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 370, 371,
&end
#
# 22 GLN HN 22 GLN QG 4.50 (# 532:25 Unique 4.51, 4.54 A)
&rst
ixpk= 532, nxpk= 25, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 370, 371,
&end
#
# 22 GLN HE2+ 22 GLN QG 3.50 (# 533:25 Unique 3.16, 3.71 A)
&rst
ixpk= 533, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 375, 376,
igr2= 370, 371,
&end
#
# 22 GLN HE2- 22 GLN QG 3.50 (# 534:25 Unique 3.16, 3.71 A)
&rst
ixpk= 534, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 375, 376,
igr2= 370, 371,
&end
#
# 86 PHE QD 22 GLN QG 3.50 (# 535:25 Unique 2.83, 5.31 A)
&rst
ixpk= 535, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1362,1370,
igr2= 370, 371,
&end
#
# 22 GLN HA 22 GLN QG 4.50 (# 536:25 Unique 2.72, 3.26 A)
&rst
ixpk= 536, nxpk= 25, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 370, 371,
&end
#
# 37 ARG HN 37 ARG HB3 4.50 (# 537:25 Unique 3.51, 3.55 A)
&rst
ixpk= 537, nxpk= 25, iat= 614, 619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ARG HA 37 ARG HB3 4.50 (# 538:25 Unique 2.54, 2.57 A)
&rst
ixpk= 538, nxpk= 25, iat= 616, 619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 ASP HN 37 ARG HB3 4.50 (# 540:25 Unique 2.21, 2.47 A)
&rst
ixpk= 540, nxpk= 25, iat= 650, 619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 VAL HA 37 ARG HB3 5.50 (# 541:25 Unique 5.85, 6.02 A)
&rst
ixpk= 541, nxpk= 25, iat= 695, 619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ARG HG- 37 ARG HB3 4.50 (# 542:25 Unique 2.32, 2.73 A)
&rst
ixpk= 542, nxpk= 25, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 621, 622,
&end
#
# 37 ARG HN 37 ARG HB2 4.50 (# 544:25 Unique 2.21, 2.29 A)
&rst
ixpk= 544, nxpk= 25, iat= 614, 618, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 ARG HN 37 ARG HB2 4.50 (# 545:25 Unique 2.58, 2.90 A)
&rst
ixpk= 545, nxpk= 25, iat= 669, 618, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 VAL QG+ 13 GLN HG+ 5.50 (# 546:25 Unique 2.47, 5.13 A)
&rst
ixpk= 546, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 699, 700, 701, 703, 704, 705,
igr2= 222, 223,
&end
#
# 13 GLN HE2+ 13 GLN HG+ 4.50 (# 547:25 Unique 2.24, 3.41 A)
&rst
ixpk= 547, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 227, 228,
igr2= 222, 223,
&end
#
# 13 GLN HB2 13 GLN HG+ 3.50 (# 550:25 Unique 2.38, 2.51 A)
&rst
ixpk= 550, nxpk= 25, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 222, 223,
&end
#
# 42 VAL QG+ 13 GLN HG- 4.50 (# 551:25 Unique 2.47, 5.13 A)
&rst
ixpk= 551, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 699, 700, 701, 703, 704, 705,
igr2= 222, 223,
&end
#
# 37 ARG HD- 37 ARG HB2 4.50 (# 555:25 Unique 2.50, 3.02 A)
&rst
ixpk= 555, nxpk= 25, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 624, 625,
&end
#
# 0 AMB 25-3:558 0 AMB 25-1:558 3.50 (# 558:25 Double Ambig)
&rst
ixpk= 558, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 245, 246, 247, 249, 250, 251, 205, 206, 207, 209,
210, 211,
igr2= 243, 222, 223,
&end
#
# 66 PHE HB+ 15 VAL HB 4.50 (# 559:25 Unique 2.24, 2.76 A)
&rst
ixpk= 559, nxpk= 25, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1043,1044,
&end
#
# 0 AMB 25-3:561 76 GLU QB 3.50 (# 561:25 Single Ambig)
&rst
ixpk= 561, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 30, 31, 32, 34, 35, 36, 30, 31, 32, 34,
35, 36,
igr2=1198,1199,
&end
#
# 76 GLU HN 76 GLU QB 3.50 (# 562:25 Unique 2.29, 3.14 A)
&rst
ixpk= 562, nxpk= 25, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1198,1199,
&end
#
# 76 GLU HA 76 GLU QB 2.80 (# 563:25 Unique 2.59, 2.82 A)
&rst
ixpk= 563, nxpk= 25, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1198,1199,
&end
#
# 77 SER HN 76 GLU QB 3.50 (# 564:25 Unique 2.45, 3.36 A)
&rst
ixpk= 564, nxpk= 25, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1198,1199,
&end
#
# 15 VAL HA 15 VAL HB 3.50 (# 565:25 Unique 2.52, 2.57 A)
&rst
ixpk= 565, nxpk= 25, iat= 241, 243, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 VAL QG+ 15 VAL HB 3.50 (# 566:25 Unique 2.37, 2.65 A)
&rst
ixpk= 566, nxpk= 25, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 245, 246, 247, 249, 250, 251,
&end
#
# 66 PHE HB- 15 VAL HB 4.50 (# 567:25 Unique 2.24, 2.76 A)
&rst
ixpk= 567, nxpk= 25, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1043,1044,
&end
#
# 0 AMB 25-3:575 75 THR HB 4.50 (# 575:25 Single Ambig)
&rst
ixpk= 575, nxpk= 25, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 82, 112, 113,
&end
#
# 75 THR HA 75 THR HB 3.50 (# 581:25 Unique 2.86, 3.01 A)
&rst
ixpk= 581, nxpk= 25, iat=1182,1184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 THR QG2 75 THR HB 2.80 (# 583:25 Unique 2.44, 2.66 A)
&rst
ixpk= 583, nxpk= 25, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1186,1187,1188,
&end
#
# 0 AMB 25-3:584 75 THR HB 2.80 (# 584:25 Single Ambig)
&rst
ixpk= 584, nxpk= 25, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1180, 78,
&end
#
# 83 HIS HN 83 HIS HB2 4.50 (# 587:25 Unique 2.37, 2.80 A)
&rst
ixpk= 587, nxpk= 25, iat=1296,1300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 ALA QB 83 HIS HB2 3.50 (# 588:25 Unique 2.35, 4.18 A)
&rst
ixpk= 588, nxpk= 25, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 525, 526, 527,
&end
#
# 83 HIS HN 83 HIS HB3 3.50 (# 590:25 Unique 2.37, 2.67 A)
&rst
ixpk= 590, nxpk= 25, iat=1296,1301, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ALA QB 83 HIS HB3 3.50 (# 592:25 Unique 2.18, 3.01 A)
&rst
ixpk= 592, nxpk= 25, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 525, 526, 527,
&end
#
# 89 VAL HN 89 VAL HB 3.50 (# 593:25 Unique 2.36, 2.42 A)
&rst
ixpk= 593, nxpk= 25, iat=1404,1408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 VAL QG+ 89 VAL HB 2.80 (# 594:25 Unique 2.44, 2.67 A)
&rst
ixpk= 594, nxpk= 25, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1410,1411,1412,1414,1415,1416,
&end
#
# 89 VAL QG- 89 VAL HB 2.80 (# 595:25 Unique 2.44, 2.67 A)
&rst
ixpk= 595, nxpk= 25, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1410,1411,1412,1414,1415,1416,
&end
#
# 28 ARG HN 27 LYS QB 5.50 (# 596:25 Unique 3.79, 4.02 A)
&rst
ixpk= 596, nxpk= 25, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 438, 439,
&end
#
# 12 VAL HA 12 VAL HB 3.50 (# 597:25 Unique 2.45, 2.47 A)
&rst
ixpk= 597, nxpk= 25, iat= 201, 203, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 VAL QG+ 12 VAL HB 3.50 (# 598:25 Unique 2.62, 4.32 A)
&rst
ixpk= 598, nxpk= 25, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 699, 700, 701, 703, 704, 705,
&end
#
# 12 VAL QG- 12 VAL HB 3.50 (# 599:25 Unique 2.39, 2.66 A)
&rst
ixpk= 599, nxpk= 25, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 205, 206, 207, 209, 210, 211,
&end
#
# 12 VAL QG+ 12 VAL HB 3.50 (# 600:25 Unique 2.39, 2.66 A)
&rst
ixpk= 600, nxpk= 25, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 205, 206, 207, 209, 210, 211,
&end
#
# 83 HIS HA 83 HIS HB3 4.50 (# 602:25 Unique 2.31, 2.90 A)
&rst
ixpk= 602, nxpk= 25, iat=1298,1301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 VAL HA 89 VAL HB 4.50 (# 603:25 Unique 3.04, 3.05 A)
&rst
ixpk= 603, nxpk= 25, iat=1406,1408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 LYS HA 61 LYS HB+ 2.80 (# 604:25 Unique 2.35, 2.40 A)
&rst
ixpk= 604, nxpk= 25, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 975, 976,
&end
#
# 35 LYS HG- 89 VAL HB 5.50 (# 606:25 Unique 4.67, 4.84 A)
&rst
ixpk= 606, nxpk= 25, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 585, 586,
&end
#
# 27 LYS HN 27 LYS QB 2.80 (# 608:25 Unique 2.22, 3.03 A)
&rst
ixpk= 608, nxpk= 25, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 438, 439,
&end
#
# 58 GLU HA 61 LYS HB+ 5.50 (# 609:25 Unique 4.07, 4.64 A)
&rst
ixpk= 609, nxpk= 25, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 975, 976,
&end
#
# 0 AMB 25-3:610 0 AMB 25-1:610 4.50 (# 610:25 Double Ambig)
&rst
ixpk= 610, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 447, 448, 292, 293, 997, 998,
igr2= 438, 439,1408, 975, 976,
&end
#
# 0 AMB 25-3:612 12 VAL HB 5.50 (# 612:25 Single Ambig)
&rst
ixpk= 612, nxpk= 25, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
1103,1104,1098,1099,1100,1102,1103,1104,
&end
#
# 49 PRO HA 0 AMB 25-1:613 3.50 (# 613:25 Single Ambig)
&rst
ixpk= 613, nxpk= 25, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 801, 802, 11, 12,
&end
#
# 49 PRO HD- 0 AMB 25-1:614 4.50 (# 614:25 Single Ambig)
&rst
ixpk= 614, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 795, 796,
igr2= 801, 802, 11, 12,
&end
#
# 0 AMB 25-3:615 0 AMB 25-1:615 5.50 (# 615:25 Double Ambig)
&rst
ixpk= 615, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 841, 842, 843, 25, 26,
igr2= 801, 802, 11, 12,
&end
#
# 49 PRO HA 49 PRO HB- 3.50 (# 618:25 Unique 2.29, 2.53 A)
&rst
ixpk= 618, nxpk= 25, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 801, 802,
&end
#
# 0 AMB 25-3:619 49 PRO HB- 4.50 (# 619:25 Single Ambig)
&rst
ixpk= 619, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 795, 796, 6,
igr2= 801, 802,
&end
#
# 52 ALA QB 49 PRO HB- 4.50 (# 620:25 Unique 3.96, 5.22 A)
&rst
ixpk= 620, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 841, 842, 843,
igr2= 801, 802,
&end
#
# 49 PRO HD- 49 PRO HB- 5.50 (# 621:25 Unique 2.92, 3.76 A)
&rst
ixpk= 621, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 795, 796,
igr2= 801, 802,
&end
#
# 61 LYS HN 61 LYS HB+ 2.80 (# 623:25 Unique 2.60, 3.18 A)
&rst
ixpk= 623, nxpk= 25, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 975, 976,
&end
#
# 61 LYS HA 61 LYS HB+ 2.80 (# 624:25 Unique 2.35, 2.40 A)
&rst
ixpk= 624, nxpk= 25, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 975, 976,
&end
#
# 27 LYS QG 27 LYS QB 2.80 (# 625:25 Unique 2.35, 2.75 A)
&rst
ixpk= 625, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 441, 442,
igr2= 438, 439,
&end
#
# 34 VAL HN 33 TRP HB+ 3.50 (# 626:25 Unique 2.41, 3.15 A)
&rst
ixpk= 626, nxpk= 25, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 542, 543,
&end
#
# 89 VAL QG- 33 TRP HB- 3.50 (# 629:25 Unique 2.22, 5.16 A)
&rst
ixpk= 629, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1410,1411,1412,1414,1415,1416,
igr2= 542, 543,
&end
#
# 34 VAL HN 33 TRP HB- 3.50 (# 630:25 Unique 2.41, 3.15 A)
&rst
ixpk= 630, nxpk= 25, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 542, 543,
&end
#
# 33 TRP HA 33 TRP HB- 3.50 (# 631:25 Unique 2.41, 2.44 A)
&rst
ixpk= 631, nxpk= 25, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 542, 543,
&end
#
# 1 MET HA 1 MET HG- 3.50 (# 635:25 Unique 2.44, 3.05 A)
&rst
ixpk= 635, nxpk= 25, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 11, 12,
&end
#
# 50 GLU HN 0 AMB 25-1:637 5.50 (# 637:25 Single Ambig)
&rst
ixpk= 637, nxpk= 25, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 801, 802, 11, 12,
&end
#
# 49 PRO HG+ 49 PRO HB+ 2.80 (# 638:25 Unique 2.34, 2.62 A)
&rst
ixpk= 638, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 798, 799,
igr2= 801, 802,
&end
#
# 23 MET HA 23 MET HB3 4.50 (# 639:25 Unique 2.34, 3.01 A)
&rst
ixpk= 639, nxpk= 25, iat= 382, 385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLN HE2+ 23 MET HG+ 5.50 (# 640:25 Unique 2.36, 5.23 A)
&rst
ixpk= 640, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 375, 376,
igr2= 387, 388,
&end
#
# 23 MET HN 23 MET HG+ 3.50 (# 641:25 Unique 2.19, 4.34 A)
&rst
ixpk= 641, nxpk= 25, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 387, 388,
&end
#
# 0 AMB 25-3:642 0 AMB 25-1:642 3.50 (# 642:25 Double Ambig)
&rst
ixpk= 642, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1094, 382,
igr2=1096, 387, 388,
&end
#
# 0 AMB 25-3:643 69 VAL HB 2.80 (# 643:25 Single Ambig)
&rst
ixpk= 643, nxpk= 25, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104, 146, 147, 148, 150, 151, 152,
&end
#
# 23 MET HA 23 MET HG- 4.50 (# 644:25 Unique 2.55, 2.91 A)
&rst
ixpk= 644, nxpk= 25, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 387, 388,
&end
#
# 89 VAL QG- 33 TRP HB+ 4.50 (# 647:25 Unique 2.22, 5.16 A)
&rst
ixpk= 647, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1410,1411,1412,1414,1415,1416,
igr2= 542, 543,
&end
#
# 0 AMB 25-3:648 0 AMB 25-1:648 5.50 (# 648:25 Double Ambig)
&rst
ixpk= 648, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 6, 795, 796,
igr2= 11, 12, 11, 12,
&end
#
# 1 MET HB+ 1 MET HG+ 3.50 (# 650:25 Unique 2.39, 2.69 A)
&rst
ixpk= 650, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 8, 9,
igr2= 11, 12,
&end
#
# 0 AMB 25-3:651 0 AMB 25-1:651 3.50 (# 651:25 Double Ambig)
&rst
ixpk= 651, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 8, 9,1278,1279,
igr2= 11, 12, 11, 12,
&end
#
# 80 LEU QD- 1 MET HG+ 5.50 (# 652:25 Unique 3.61, 7.13 A)
&rst
ixpk= 652, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1264,1265,1266,1268,1269,1270,
igr2= 11, 12,
&end
#
# 0 AMB 25-3:654 1 MET HG- 3.50 (# 654:25 Single Ambig)
&rst
ixpk= 654, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 8, 9,1278,1279,
igr2= 11, 12,
&end
#
# 80 LEU QD+ 1 MET HG- 5.50 (# 655:25 Unique 3.61, 7.13 A)
&rst
ixpk= 655, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1264,1265,1266,1268,1269,1270,
igr2= 11, 12,
&end
#
# 2 LEU HN 0 AMB 25-1:656 4.50 (# 656:25 Single Ambig)
&rst
ixpk= 656, nxpk= 25, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 11, 12, 801, 802,
&end
#
# 23 MET HN 23 MET HB3 5.50 (# 659:25 Unique 2.22, 2.46 A)
&rst
ixpk= 659, nxpk= 25, iat= 380, 385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 MET HG- 23 MET HB2 3.50 (# 660:25 Unique 2.27, 2.74 A)
&rst
ixpk= 660, nxpk= 25, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 387, 388,
&end
#
# 23 MET HN 23 MET HB2 4.50 (# 661:25 Unique 2.55, 2.58 A)
&rst
ixpk= 661, nxpk= 25, iat= 380, 384, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 VAL HN 69 VAL HB 2.80 (# 662:25 Unique 2.31, 2.43 A)
&rst
ixpk= 662, nxpk= 25, iat=1092,1096, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 61 LYS HA 69 VAL HB 5.50 (# 663:25 Unique 3.77, 3.96 A)
&rst
ixpk= 663, nxpk= 25, iat= 973,1096, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 MET HN 23 MET HG- 3.50 (# 664:25 Unique 2.19, 4.34 A)
&rst
ixpk= 664, nxpk= 25, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 387, 388,
&end
#
# 86 PHE HN 85 ARG QB 2.80 (# 665:25 Unique 1.88, 2.91 A)
&rst
ixpk= 665, nxpk= 25, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1334,1335,
&end
#
# 85 ARG HA 85 ARG QB 2.80 (# 666:25 Unique 2.32, 2.58 A)
&rst
ixpk= 666, nxpk= 25, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1334,1335,
&end
#
# 85 ARG QD 85 ARG QB 3.50 (# 667:25 Unique 2.22, 3.38 A)
&rst
ixpk= 667, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1340,1341,
igr2=1334,1335,
&end
#
# 85 ARG HG+ 85 ARG QB 2.80 (# 668:25 Unique 2.26, 2.62 A)
&rst
ixpk= 668, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1337,1338,
igr2=1334,1335,
&end
#
# 85 ARG HG- 85 ARG QB 2.80 (# 669:25 Unique 2.26, 2.62 A)
&rst
ixpk= 669, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1337,1338,
igr2=1334,1335,
&end
#
# 23 MET HB3 27 LYS QB 5.50 (# 670:25 Unique 4.84, 6.98 A)
&rst
ixpk= 670, nxpk= 25, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 438, 439,
&end
#
# 0 AMB 25-3:671 0 AMB 25-1:671 4.50 (# 671:25 Double Ambig)
&rst
ixpk= 671, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 384, 918, 222, 223,
igr2= 438, 439, 975, 976, 673, 674,
&end
#
# 33 TRP HA 33 TRP HB+ 2.80 (# 674:25 Unique 2.41, 2.44 A)
&rst
ixpk= 674, nxpk= 25, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 542, 543,
&end
#
# 23 MET HA 23 MET HB2 4.50 (# 677:25 Unique 2.34, 2.47 A)
&rst
ixpk= 677, nxpk= 25, iat= 382, 384, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 MET HB3 23 MET HG+ 2.80 (# 678:25 Unique 2.44, 2.75 A)
&rst
ixpk= 678, nxpk= 25, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 387, 388,
&end
#
# 23 MET HB2 23 MET HG+ 2.80 (# 679:25 Unique 2.27, 2.74 A)
&rst
ixpk= 679, nxpk= 25, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 387, 388,
&end
#
# 23 MET HB3 23 MET HG- 3.50 (# 681:25 Unique 2.44, 2.75 A)
&rst
ixpk= 681, nxpk= 25, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 387, 388,
&end
#
# 23 MET HB2 23 MET HG- 2.80 (# 682:25 Unique 2.27, 2.74 A)
&rst
ixpk= 682, nxpk= 25, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 387, 388,
&end
#
# 5 ARG HA 5 ARG HB3 3.50 (# 683:25 Unique 3.03, 3.04 A)
&rst
ixpk= 683, nxpk= 25, iat= 80, 83, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 ARG HN 41 ARG QB 2.80 (# 684:25 Unique 2.15, 2.92 A)
&rst
ixpk= 684, nxpk= 25, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 673, 674,
&end
#
# 41 ARG HA 41 ARG QB 3.50 (# 685:25 Unique 2.52, 2.83 A)
&rst
ixpk= 685, nxpk= 25, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 673, 674,
&end
#
# 0 AMB 25-3:686 41 ARG QB 2.80 (# 686:25 Single Ambig)
&rst
ixpk= 686, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 624, 625, 679, 680,
igr2= 673, 674,
&end
#
# 42 VAL HN 41 ARG QB 2.80 (# 687:25 Unique 2.20, 3.02 A)
&rst
ixpk= 687, nxpk= 25, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 673, 674,
&end
#
# 5 ARG HN 5 ARG HB3 3.50 (# 688:25 Unique 2.68, 2.86 A)
&rst
ixpk= 688, nxpk= 25, iat= 78, 83, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 THR HB 5 ARG HB3 3.50 (# 689:25 Unique 2.24, 2.37 A)
&rst
ixpk= 689, nxpk= 25, iat=1184, 83, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ARG HD- 5 ARG HB2 5.50 (# 690:25 Unique 2.40, 3.05 A)
&rst
ixpk= 690, nxpk= 25, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 88, 89,
&end
#
# 5 ARG HG+ 5 ARG HB2 3.50 (# 691:25 Unique 2.32, 2.75 A)
&rst
ixpk= 691, nxpk= 25, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 85, 86,
&end
#
# 45 LEU QD- 5 ARG HB2 5.50 (# 692:25 Unique 3.25, 4.30 A)
&rst
ixpk= 692, nxpk= 25, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 752, 753, 754, 756, 757, 758,
&end
#
# 5 ARG HN 5 ARG HB2 3.50 (# 693:25 Unique 3.11, 3.24 A)
&rst
ixpk= 693, nxpk= 25, iat= 78, 82, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ARG HA 5 ARG HB2 3.50 (# 694:25 Unique 2.47, 2.54 A)
&rst
ixpk= 694, nxpk= 25, iat= 80, 82, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 LEU QD+ 28 ARG HB2 5.50 (# 696:25 Unique 3.91, 5.23 A)
&rst
ixpk= 696, nxpk= 25, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 511, 512, 513, 515, 516, 517,
&end
#
# 28 ARG HA 28 ARG HB2 4.50 (# 697:25 Unique 2.37, 2.42 A)
&rst
ixpk= 697, nxpk= 25, iat= 458, 460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 GLN HA 57 VAL HB 4.50 (# 699:25 Unique 2.75, 2.96 A)
&rst
ixpk= 699, nxpk= 25, iat= 868, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 VAL HN 57 VAL HB 2.80 (# 700:25 Unique 2.38, 2.58 A)
&rst
ixpk= 700, nxpk= 25, iat= 914, 918, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 VAL HA 57 VAL HB 4.50 (# 701:25 Unique 3.04, 3.05 A)
&rst
ixpk= 701, nxpk= 25, iat= 916, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 PRO HA 65 PRO HB+ 3.50 (# 702:25 Unique 2.27, 2.59 A)
&rst
ixpk= 702, nxpk= 25, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1032,1033,
&end
#
# 27 LYS QD 28 ARG HB3 5.50 (# 704:25 Unique 3.70, 6.15 A)
&rst
ixpk= 704, nxpk= 25, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 444, 445,
&end
#
# 30 LEU HG 28 ARG HB3 4.50 (# 705:25 Unique 2.13, 2.29 A)
&rst
ixpk= 705, nxpk= 25, iat= 509, 461, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ARG HA 28 ARG HB3 3.50 (# 706:25 Unique 3.03, 3.04 A)
&rst
ixpk= 706, nxpk= 25, iat= 458, 461, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 ARG HN 28 ARG HB3 4.50 (# 707:25 Unique 2.39, 2.56 A)
&rst
ixpk= 707, nxpk= 25, iat= 456, 461, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ARG HD+ 28 ARG HB3 5.50 (# 708:25 Unique 3.68, 3.98 A)
&rst
ixpk= 708, nxpk= 25, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 466, 467,
&end
#
# 30 LEU HG 28 ARG HB2 4.50 (# 710:25 Unique 3.77, 3.99 A)
&rst
ixpk= 710, nxpk= 25, iat= 509, 460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ARG HN 28 ARG HB2 3.50 (# 711:25 Unique 2.82, 2.92 A)
&rst
ixpk= 711, nxpk= 25, iat= 456, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:712 28 ARG HB2 4.50 (# 712:25 Single Ambig)
&rst
ixpk= 712, nxpk= 25, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 444, 445, 490, 491,
&end
#
# 27 LYS QG 28 ARG HB2 4.50 (# 713:25 Unique 2.55, 3.43 A)
&rst
ixpk= 713, nxpk= 25, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 441, 442,
&end
#
# 65 PRO HA 65 PRO HB- 3.50 (# 714:25 Unique 2.27, 2.59 A)
&rst
ixpk= 714, nxpk= 25, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1032,1033,
&end
#
# 65 PRO HD+ 65 PRO HB- 5.50 (# 716:25 Unique 2.85, 3.69 A)
&rst
ixpk= 716, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1026,1027,
igr2=1032,1033,
&end
#
# 65 PRO HD- 65 PRO HB- 4.50 (# 717:25 Unique 2.85, 3.69 A)
&rst
ixpk= 717, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1026,1027,
igr2=1032,1033,
&end
#
# 65 PRO QG 65 PRO HB- 2.80 (# 718:25 Unique 2.37, 2.63 A)
&rst
ixpk= 718, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1029,1030,
igr2=1032,1033,
&end
#
# 58 GLU HN 57 VAL HB 3.50 (# 719:25 Unique 2.67, 2.75 A)
&rst
ixpk= 719, nxpk= 25, iat= 930, 918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 VAL QG- 57 VAL HB 2.80 (# 720:25 Unique 2.32, 2.67 A)
&rst
ixpk= 720, nxpk= 25, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 57 VAL QG+ 57 VAL HB 3.50 (# 721:25 Unique 2.32, 2.67 A)
&rst
ixpk= 721, nxpk= 25, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 65 PRO HD- 65 PRO HB+ 5.50 (# 722:25 Unique 2.85, 3.69 A)
&rst
ixpk= 722, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1026,1027,
igr2=1032,1033,
&end
#
# 60 VAL HN 60 VAL HB 2.80 (# 724:25 Unique 2.24, 2.30 A)
&rst
ixpk= 724, nxpk= 25, iat= 955, 959, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 VAL HA 60 VAL HB 3.50 (# 725:25 Unique 2.14, 2.21 A)
&rst
ixpk= 725, nxpk= 25, iat= 916, 959, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:726 60 VAL HB 2.80 (# 726:25 Single Ambig)
&rst
ixpk= 726, nxpk= 25, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 961, 962, 963,1147,1148,1149,
&end
#
# 60 VAL QG2 60 VAL HB 3.50 (# 727:25 Unique 2.36, 2.68 A)
&rst
ixpk= 727, nxpk= 25, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 965, 966, 967,
&end
#
# 34 VAL QG+ 21 VAL HB 5.50 (# 728:25 Unique 2.49, 3.87 A)
&rst
ixpk= 728, nxpk= 25, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 568, 569, 570, 572, 573, 574,
&end
#
# 21 VAL HN 21 VAL HB 3.50 (# 729:25 Unique 2.28, 2.37 A)
&rst
ixpk= 729, nxpk= 25, iat= 347, 351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 GLN HN 21 VAL HB 4.50 (# 730:25 Unique 2.59, 2.76 A)
&rst
ixpk= 730, nxpk= 25, iat= 363, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 VAL HA 21 VAL HB 5.50 (# 731:25 Unique 3.04, 3.05 A)
&rst
ixpk= 731, nxpk= 25, iat= 349, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ARG HA 21 VAL HB 5.50 (# 732:25 Unique 2.58, 2.81 A)
&rst
ixpk= 732, nxpk= 25, iat= 284, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 VAL QG+ 21 VAL HB 2.80 (# 733:25 Unique 2.41, 2.67 A)
&rst
ixpk= 733, nxpk= 25, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 353, 354, 355, 357, 358, 359,
&end
#
# 21 VAL QG- 21 VAL HB 3.50 (# 734:25 Unique 2.41, 2.67 A)
&rst
ixpk= 734, nxpk= 25, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 353, 354, 355, 357, 358, 359,
&end
#
# 60 VAL HA 60 VAL HB 5.50 (# 736:25 Unique 3.02, 3.03 A)
&rst
ixpk= 736, nxpk= 25, iat= 957, 959, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:737 60 VAL HB 4.50 (# 737:25 Single Ambig)
&rst
ixpk= 737, nxpk= 25, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 920, 921, 922, 924, 925, 926, 146, 147, 148, 150,
151, 152, 737, 738, 739, 353, 354, 355, 357, 358,
359,
&end
#
# 81 GLU HA 81 GLU QB 2.80 (# 744:25 Unique 2.38, 2.78 A)
&rst
ixpk= 744, nxpk= 25, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1278,1279,
&end
#
# 81 GLU HG+ 81 GLU QB 2.80 (# 745:25 Unique 2.17, 2.63 A)
&rst
ixpk= 745, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1281,1282,
igr2=1278,1279,
&end
#
# 82 GLY HN 81 GLU QB 4.50 (# 747:25 Unique 2.21, 3.88 A)
&rst
ixpk= 747, nxpk= 25, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1278,1279,
&end
#
# 78 ARG HA 78 ARG HB+ 3.50 (# 749:25 Unique 2.43, 2.73 A)
&rst
ixpk= 749, nxpk= 25, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1224,1225,
&end
#
# 78 ARG QD 78 ARG HB- 4.50 (# 751:25 Unique 2.27, 3.05 A)
&rst
ixpk= 751, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1230,1231,
igr2=1224,1225,
&end
#
# 78 ARG HA 78 ARG HB- 3.50 (# 752:25 Unique 2.43, 2.73 A)
&rst
ixpk= 752, nxpk= 25, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1224,1225,
&end
#
# 78 ARG QD 78 ARG HB+ 4.50 (# 753:25 Unique 2.27, 3.05 A)
&rst
ixpk= 753, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1230,1231,
igr2=1224,1225,
&end
#
# 51 ASN HN 50 GLU QB 5.50 (# 754:25 Unique 2.64, 3.39 A)
&rst
ixpk= 754, nxpk= 25, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 812, 813,
&end
#
# 50 GLU HN 50 GLU QB 3.50 (# 756:25 Unique 2.34, 2.44 A)
&rst
ixpk= 756, nxpk= 25, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 812, 813,
&end
#
# 50 GLU HA 50 GLU QB 3.50 (# 758:25 Unique 2.41, 2.75 A)
&rst
ixpk= 758, nxpk= 25, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 812, 813,
&end
#
# 50 GLU QG 50 GLU QB 2.80 (# 759:25 Unique 2.42, 2.77 A)
&rst
ixpk= 759, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 815, 816,
igr2= 812, 813,
&end
#
# 0 AMB 25-3:760 50 GLU QB 3.50 (# 760:25 Single Ambig)
&rst
ixpk= 760, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 30, 31, 32, 34, 35, 36, 30, 31, 32, 34,
35, 36,
igr2= 812, 813,
&end
#
# 61 LYS HN 61 LYS QD 4.50 (# 762:25 Unique 4.65, 4.82 A)
&rst
ixpk= 762, nxpk= 25, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 981, 982,
&end
#
# 58 GLU HA 61 LYS QD 4.50 (# 763:25 Unique 2.80, 3.60 A)
&rst
ixpk= 763, nxpk= 25, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 981, 982,
&end
#
# 61 LYS HA 61 LYS QD 4.50 (# 764:25 Unique 4.76, 5.17 A)
&rst
ixpk= 764, nxpk= 25, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 981, 982,
&end
#
# 27 LYS HE- 27 LYS QD 2.80 (# 765:25 Unique 2.34, 2.75 A)
&rst
ixpk= 765, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 447, 448,
igr2= 444, 445,
&end
#
# 0 AMB 25-3:766 0 AMB 25-1:766 2.80 (# 766:25 Double Ambig)
&rst
ixpk= 766, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 438, 439, 975, 976,
igr2= 444, 445, 981, 982,
&end
#
# 61 LYS QG 61 LYS QD 2.80 (# 767:25 Unique 2.39, 2.60 A)
&rst
ixpk= 767, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 978, 979,
igr2= 981, 982,
&end
#
# 0 AMB 25-3:768 61 LYS QD 3.50 (# 768:25 Single Ambig)
&rst
ixpk= 768, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 920, 921, 922, 924, 925, 926,1098,1099,1100,1102,
1103,1104,1098,1099,1100,1102,1103,1104,1144,1145,
igr2= 981, 982,
&end
#
# 27 LYS HE+ 27 LYS QD 4.50 (# 769:25 Unique 2.34, 2.75 A)
&rst
ixpk= 769, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 447, 448,
igr2= 444, 445,
&end
#
# 35 LYS HB3 35 LYS HD+ 3.50 (# 770:25 Unique 2.52, 3.37 A)
&rst
ixpk= 770, nxpk= 25, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 588, 589,
&end
#
# 89 VAL QG+ 35 LYS HD+ 5.50 (# 771:25 Unique 3.44, 5.75 A)
&rst
ixpk= 771, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1410,1411,1412,1414,1415,1416,
igr2= 588, 589,
&end
#
# 57 VAL HN 57 VAL HA 3.50 (# 773:25 Unique 2.82, 2.84 A)
&rst
ixpk= 773, nxpk= 25, iat= 914, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 ILE QD1 57 VAL HA 5.50 (# 774:25 Unique 3.54, 4.13 A)
&rst
ixpk= 774, nxpk= 25, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 115, 116, 117,
&end
#
# 57 VAL QG- 57 VAL HA 3.50 (# 775:25 Unique 2.38, 3.15 A)
&rst
ixpk= 775, nxpk= 25, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 60 VAL QG2 57 VAL HA 3.50 (# 776:25 Unique 3.05, 3.86 A)
&rst
ixpk= 776, nxpk= 25, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 965, 966, 967,
&end
#
# 0 AMB 25-3:777 0 AMB 25-1:777 4.50 (# 777:25 Double Ambig)
&rst
ixpk= 777, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 582, 621, 622,
igr2= 588, 589, 588, 589,
&end
#
# 35 LYS HE- 35 LYS HD+ 5.50 (# 778:25 Unique 2.35, 2.77 A)
&rst
ixpk= 778, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 591, 592,
igr2= 588, 589,
&end
#
# 35 LYS HE+ 35 LYS HD+ 4.50 (# 779:25 Unique 2.35, 2.77 A)
&rst
ixpk= 779, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 591, 592,
igr2= 588, 589,
&end
#
# 0 AMB 25-3:780 0 AMB 25-1:780 3.50 (# 780:25 Double Ambig)
&rst
ixpk= 780, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 585, 586, 621, 622,
igr2= 588, 589, 588, 589,
&end
#
# 0 AMB 25-3:782 35 LYS HD- 4.50 (# 782:25 Single Ambig)
&rst
ixpk= 782, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 582, 621, 622,
igr2= 588, 589,
&end
#
# 0 AMB 25-3:783 35 LYS HD- 3.50 (# 783:25 Single Ambig)
&rst
ixpk= 783, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 585, 586, 621, 622,
igr2= 588, 589,
&end
#
# 35 LYS HB3 35 LYS HD- 2.80 (# 784:25 Unique 2.52, 3.37 A)
&rst
ixpk= 784, nxpk= 25, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 588, 589,
&end
#
# 15 VAL QG+ 67 SER QB 5.50 (# 787:25 Unique 2.97, 5.23 A)
&rst
ixpk= 787, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 245, 246, 247, 249, 250, 251,
igr2=1063,1064,
&end
#
# 58 GLU HN 57 VAL HA 4.50 (# 790:25 Unique 3.60, 3.62 A)
&rst
ixpk= 790, nxpk= 25, iat= 930, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 VAL HB 57 VAL HA 3.50 (# 792:25 Unique 2.14, 2.21 A)
&rst
ixpk= 792, nxpk= 25, iat= 959, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 VAL QG+ 57 VAL HA 3.50 (# 793:25 Unique 2.38, 3.15 A)
&rst
ixpk= 793, nxpk= 25, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 60 VAL QG1 57 VAL HA 5.50 (# 794:25 Unique 3.87, 4.45 A)
&rst
ixpk= 794, nxpk= 25, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 961, 962, 963,
&end
#
# 60 VAL HN 57 VAL HA 3.50 (# 795:25 Unique 2.92, 3.12 A)
&rst
ixpk= 795, nxpk= 25, iat= 955, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 VAL HB 57 VAL HA 4.50 (# 796:25 Unique 3.04, 3.05 A)
&rst
ixpk= 796, nxpk= 25, iat= 918, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 LYS HE- 35 LYS HD- 5.50 (# 797:25 Unique 2.35, 2.77 A)
&rst
ixpk= 797, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 591, 592,
igr2= 588, 589,
&end
#
# 89 VAL QG+ 35 LYS HD- 5.50 (# 798:25 Unique 3.44, 5.75 A)
&rst
ixpk= 798, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1410,1411,1412,1414,1415,1416,
igr2= 588, 589,
&end
#
# 68 LYS HN 67 SER QB 3.50 (# 799:25 Unique 2.36, 2.99 A)
&rst
ixpk= 799, nxpk= 25, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1063,1064,
&end
#
# 67 SER HN 67 SER QB 3.50 (# 800:25 Unique 2.43, 3.03 A)
&rst
ixpk= 800, nxpk= 25, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1063,1064,
&end
#
# 17 PHE QD 67 SER QB 4.50 (# 801:25 Unique 2.45, 5.02 A)
&rst
ixpk= 801, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 270, 278,
igr2=1063,1064,
&end
#
# 67 SER HA 67 SER QB 2.80 (# 802:25 Unique 2.40, 2.74 A)
&rst
ixpk= 802, nxpk= 25, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1063,1064,
&end
#
# 0 AMB 25-3:803 67 SER QB 5.50 (# 803:25 Single Ambig)
&rst
ixpk= 803, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
igr2=1063,1064,
&end
#
# 0 AMB 25-3:804 67 SER QB 3.50 (# 804:25 Single Ambig)
&rst
ixpk= 804, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 205, 206, 207, 209, 210, 211, 245, 246, 247, 249,
250, 251,
igr2=1063,1064,
&end
#
# 12 VAL QG+ 67 SER QB 4.50 (# 805:25 Unique 2.59, 5.86 A)
&rst
ixpk= 805, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 205, 206, 207, 209, 210, 211,
igr2=1063,1064,
&end
#
# 65 PRO HD+ 67 SER QB 5.50 (# 806:25 Unique 6.10, 7.16 A)
&rst
ixpk= 806, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1026,1027,
igr2=1063,1064,
&end
#
# 58 GLU HN 58 GLU QB 2.80 (# 807:25 Unique 2.41, 3.08 A)
&rst
ixpk= 807, nxpk= 25, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 934, 935,
&end
#
# 59 ALA HN 58 GLU QB 2.80 (# 809:25 Unique 2.78, 3.33 A)
&rst
ixpk= 809, nxpk= 25, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 934, 935,
&end
#
# 55 SER HA 58 GLU QB 3.50 (# 810:25 Unique 2.35, 3.31 A)
&rst
ixpk= 810, nxpk= 25, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 934, 935,
&end
#
# 58 GLU HA 58 GLU QB 2.80 (# 812:25 Unique 2.45, 2.76 A)
&rst
ixpk= 812, nxpk= 25, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 934, 935,
&end
#
# 0 AMB 25-3:813 58 GLU QB 2.80 (# 813:25 Single Ambig)
&rst
ixpk= 813, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 937, 938, 937, 938,
igr2= 934, 935,
&end
#
# 0 AMB 25-3:814 58 GLU QB 5.50 (# 814:25 Single Ambig)
&rst
ixpk= 814, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 978, 979, 949, 950, 951,
igr2= 934, 935,
&end
#
# 68 LYS HG- 11 ARG HB+ 5.50 (# 815:25 Unique 3.39, 5.17 A)
&rst
ixpk= 815, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1077,1078,
igr2= 179, 180,
&end
#
# 88 ILE QD1 18 ARG HB- 4.50 (# 817:25 Unique 2.32, 4.52 A)
&rst
ixpk= 817, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1398,1399,1400,
igr2= 286, 287,
&end
#
# 68 LYS HA 68 LYS QD 5.50 (# 818:25 Unique 2.25, 4.15 A)
&rst
ixpk= 818, nxpk= 25, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1080,1081,
&end
#
# 21 VAL HB 21 VAL HA 4.50 (# 822:25 Unique 3.04, 3.05 A)
&rst
ixpk= 822, nxpk= 25, iat= 351, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 VAL HN 21 VAL HA 3.50 (# 823:25 Unique 2.83, 2.84 A)
&rst
ixpk= 823, nxpk= 25, iat= 347, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 GLU HN 21 VAL HA 5.50 (# 824:25 Unique 3.36, 3.46 A)
&rst
ixpk= 824, nxpk= 25, iat= 397, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU HB2 21 VAL HA 5.50 (# 826:25 Unique 2.39, 2.63 A)
&rst
ixpk= 826, nxpk= 25, iat= 401, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU HG- 21 VAL HA 5.50 (# 827:25 Unique 3.14, 3.80 A)
&rst
ixpk= 827, nxpk= 25, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 404, 405,
&end
#
# 21 VAL QG+ 21 VAL HA 3.50 (# 828:25 Unique 2.31, 3.15 A)
&rst
ixpk= 828, nxpk= 25, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 353, 354, 355, 357, 358, 359,
&end
#
# 21 VAL QG- 21 VAL HA 3.50 (# 829:25 Unique 2.31, 3.15 A)
&rst
ixpk= 829, nxpk= 25, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 353, 354, 355, 357, 358, 359,
&end
#
# 22 GLN HN 21 VAL HA 5.50 (# 830:25 Unique 3.60, 3.61 A)
&rst
ixpk= 830, nxpk= 25, iat= 363, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 VAL QG2 21 VAL HA 5.50 (# 831:25 Unique 3.47, 4.49 A)
&rst
ixpk= 831, nxpk= 25, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 965, 966, 967,
&end
#
# 29 LYS QG 29 LYS QB 2.80 (# 832:25 Unique 2.26, 2.73 A)
&rst
ixpk= 832, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 487, 488,
igr2= 484, 485,
&end
#
# 11 ARG HD+ 11 ARG HB+ 5.50 (# 833:25 Unique 2.33, 3.33 A)
&rst
ixpk= 833, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 185, 186,
igr2= 179, 180,
&end
#
# 0 AMB 25-3:834 0 AMB 25-1:834 4.50 (# 834:25 Double Ambig)
&rst
ixpk= 834, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 177,1061,
igr2= 179, 180, 179, 180,
&end
#
# 11 ARG HG+ 11 ARG HB+ 4.50 (# 836:25 Unique 2.28, 2.71 A)
&rst
ixpk= 836, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 182, 183,
igr2= 179, 180,
&end
#
# 11 ARG HN 11 ARG HB- 4.50 (# 837:25 Unique 2.28, 2.62 A)
&rst
ixpk= 837, nxpk= 25, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 179, 180,
&end
#
# 0 AMB 25-3:838 11 ARG HB- 3.50 (# 838:25 Single Ambig)
&rst
ixpk= 838, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 177,1061,
igr2= 179, 180,
&end
#
# 18 ARG HA 18 ARG HB- 4.50 (# 842:25 Unique 2.38, 2.75 A)
&rst
ixpk= 842, nxpk= 25, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 286, 287,
&end
#
# 88 ILE QG2 18 ARG HB- 4.50 (# 844:25 Unique 2.28, 3.57 A)
&rst
ixpk= 844, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1391,1392,1393,
igr2= 286, 287,
&end
#
# 70 THR QG2 68 LYS QD 2.80 (# 845:25 Unique 2.83, 5.39 A)
&rst
ixpk= 845, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1114,1115,1116,
igr2=1080,1081,
&end
#
# 68 LYS QE 68 LYS QD 2.80 (# 846:25 Unique 2.38, 2.71 A)
&rst
ixpk= 846, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1083,1084,
igr2=1080,1081,
&end
#
# 68 LYS HG+ 68 LYS QD 2.80 (# 847:25 Unique 2.39, 2.73 A)
&rst
ixpk= 847, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1077,1078,
igr2=1080,1081,
&end
#
# 68 LYS HG- 68 LYS QD 2.80 (# 848:25 Unique 2.39, 2.73 A)
&rst
ixpk= 848, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1077,1078,
igr2=1080,1081,
&end
#
# 80 LEU QD- 80 LEU HG 3.50 (# 853:25 Unique 2.37, 2.66 A)
&rst
ixpk= 853, nxpk= 25, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1264,1265,1266,1268,1269,1270,
&end
#
# 0 AMB 25-3:855 41 ARG HG- 5.50 (# 855:25 Single Ambig)
&rst
ixpk= 855, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 156, 168,
igr2= 676, 677,
&end
#
# 25 ALA HN 21 VAL HA 5.50 (# 856:25 Unique 3.92, 4.09 A)
&rst
ixpk= 856, nxpk= 25, iat= 412, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:857 0 AMB 25-1:857 4.50 (# 857:25 Double Ambig)
&rst
ixpk= 857, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 502, 327,
igr2= 463, 464, 484, 485, 368,
&end
#
# 29 LYS HA 29 LYS QB 2.80 (# 858:25 Unique 2.42, 2.75 A)
&rst
ixpk= 858, nxpk= 25, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 484, 485,
&end
#
# 29 LYS HN 0 AMB 25-1:859 5.50 (# 859:25 Single Ambig)
&rst
ixpk= 859, nxpk= 25, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 484, 485, 463, 464,
&end
#
# 68 LYS HN 11 ARG HB+ 3.50 (# 860:25 Unique 2.18, 3.24 A)
&rst
ixpk= 860, nxpk= 25, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 179, 180,
&end
#
# 11 ARG HN 11 ARG HB+ 3.50 (# 861:25 Unique 2.28, 2.62 A)
&rst
ixpk= 861, nxpk= 25, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 179, 180,
&end
#
# 80 LEU HN 80 LEU HG 5.50 (# 865:25 Unique 2.16, 4.21 A)
&rst
ixpk= 865, nxpk= 25, iat=1255,1262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 ARG HN 41 ARG HG- 4.50 (# 867:25 Unique 2.43, 3.91 A)
&rst
ixpk= 867, nxpk= 25, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 676, 677,
&end
#
# 60 VAL HN 60 VAL HA 2.80 (# 868:25 Unique 2.82, 2.82 A)
&rst
ixpk= 868, nxpk= 25, iat= 955, 957, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 VAL HB 60 VAL HA 4.50 (# 870:25 Unique 3.02, 3.03 A)
&rst
ixpk= 870, nxpk= 25, iat= 959, 957, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 VAL QG1 60 VAL HA 3.50 (# 871:25 Unique 2.77, 3.37 A)
&rst
ixpk= 871, nxpk= 25, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 961, 962, 963,
&end
#
# 60 VAL QG2 60 VAL HA 3.50 (# 872:25 Unique 2.46, 3.01 A)
&rst
ixpk= 872, nxpk= 25, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 965, 966, 967,
&end
#
# 22 GLN HA 22 GLN HB2 5.50 (# 873:25 Unique 2.29, 2.31 A)
&rst
ixpk= 873, nxpk= 25, iat= 365, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:874 0 AMB 25-1:874 5.50 (# 874:25 Double Ambig)
&rst
ixpk= 874, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 308, 458,
igr2= 368, 463, 464,
&end
#
# 41 ARG HN 41 ARG HG+ 4.50 (# 876:25 Unique 2.43, 3.91 A)
&rst
ixpk= 876, nxpk= 25, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 676, 677,
&end
#
# 41 ARG HA 41 ARG HG+ 4.50 (# 877:25 Unique 2.27, 3.11 A)
&rst
ixpk= 877, nxpk= 25, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 676, 677,
&end
#
# 9 ASP HA 41 ARG HG+ 4.50 (# 878:25 Unique 2.23, 3.54 A)
&rst
ixpk= 878, nxpk= 25, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 676, 677,
&end
#
# 41 ARG HA 41 ARG HG- 4.50 (# 879:25 Unique 2.27, 3.11 A)
&rst
ixpk= 879, nxpk= 25, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 676, 677,
&end
#
# 41 ARG QD 41 ARG HG- 3.50 (# 880:25 Unique 2.25, 2.69 A)
&rst
ixpk= 880, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 679, 680,
igr2= 676, 677,
&end
#
# 17 PHE HZ 60 VAL HA 3.50 (# 883:25 Unique 3.08, 3.46 A)
&rst
ixpk= 883, nxpk= 25, iat= 274, 957, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 GLN HN 22 GLN HB2 2.80 (# 884:25 Unique 2.65, 2.68 A)
&rst
ixpk= 884, nxpk= 25, iat= 363, 367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 TYR HA 22 GLN HB2 4.50 (# 886:25 Unique 3.66, 3.73 A)
&rst
ixpk= 886, nxpk= 25, iat= 308, 367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLN HA 22 GLN HB3 4.50 (# 889:25 Unique 3.01, 3.02 A)
&rst
ixpk= 889, nxpk= 25, iat= 365, 368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 ILE QD1 22 GLN HB3 5.50 (# 890:25 Unique 2.36, 3.51 A)
&rst
ixpk= 890, nxpk= 25, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1398,1399,1400,
&end
#
# 22 GLN HN 22 GLN HB3 3.50 (# 891:25 Unique 2.22, 2.24 A)
&rst
ixpk= 891, nxpk= 25, iat= 363, 368, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 ILE HB 72 ILE HG1+ 2.80 (# 893:25 Unique 2.41, 2.76 A)
&rst
ixpk= 893, nxpk= 25, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1144,1145,
&end
#
# 72 ILE HA 72 ILE HG1+ 3.50 (# 894:25 Unique 2.27, 2.84 A)
&rst
ixpk= 894, nxpk= 25, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1144,1145,
&end
#
# 43 GLU HB- 5 ARG HG+ 4.50 (# 895:25 Unique 5.21, 6.11 A)
&rst
ixpk= 895, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 713, 714,
igr2= 85, 86,
&end
#
# 73 SER HN 72 ILE HG1- 4.50 (# 896:25 Unique 2.34, 2.71 A)
&rst
ixpk= 896, nxpk= 25, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1144,1145,
&end
#
# 72 ILE HA 72 ILE HG1- 4.50 (# 897:25 Unique 2.27, 2.84 A)
&rst
ixpk= 897, nxpk= 25, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1144,1145,
&end
#
# 5 ARG HD+ 5 ARG HG- 4.50 (# 903:25 Unique 2.35, 2.70 A)
&rst
ixpk= 903, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 88, 89,
igr2= 85, 86,
&end
#
# 0 AMB 25-3:905 0 AMB 25-1:905 4.50 (# 905:25 Double Ambig)
&rst
ixpk= 905, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 745, 142,
igr2= 85, 86, 676, 677,
&end
#
# 73 SER HN 72 ILE HG1+ 4.50 (# 906:25 Unique 2.34, 2.71 A)
&rst
ixpk= 906, nxpk= 25, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1144,1145,
&end
#
# 8 VAL QG+ 72 ILE HG1+ 5.50 (# 907:25 Unique 2.27, 4.68 A)
&rst
ixpk= 907, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 146, 147, 148, 150, 151, 152,
igr2=1144,1145,
&end
#
# 0 AMB 25-3:909 0 AMB 25-1:909 2.80 (# 909:25 Double Ambig)
&rst
ixpk= 909, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1147,1148,1149,1170,1171,1172,1174,1175,1176,
igr2=1144,1145,1144,1145,
&end
#
# 45 LEU QD- 5 ARG HG+ 4.50 (# 910:25 Unique 2.67, 5.28 A)
&rst
ixpk= 910, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 752, 753, 754, 756, 757, 758,
igr2= 85, 86,
&end
#
# 5 ARG HA 5 ARG HG+ 4.50 (# 911:25 Unique 2.37, 2.72 A)
&rst
ixpk= 911, nxpk= 25, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 85, 86,
&end
#
# 5 ARG HD- 5 ARG HG+ 3.50 (# 913:25 Unique 2.35, 2.70 A)
&rst
ixpk= 913, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 88, 89,
igr2= 85, 86,
&end
#
# 0 AMB 25-3:914 44 ILE QG1 2.80 (# 914:25 Single Ambig)
&rst
ixpk= 914, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 353, 354, 355, 357, 358, 359, 737, 738, 739,
igr2= 734, 735,
&end
#
# 72 ILE HB 72 ILE HG1- 3.50 (# 915:25 Unique 2.41, 2.76 A)
&rst
ixpk= 915, nxpk= 25, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1144,1145,
&end
#
# 0 AMB 25-3:917 72 ILE HG1- 2.80 (# 917:25 Single Ambig)
&rst
ixpk= 917, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1147,1148,1149,1170,1171,1172,1174,1175,1176,
igr2=1144,1145,
&end
#
# 51 ASN HA 54 GLN HB3 4.50 (# 921:25 Unique 4.51, 4.56 A)
&rst
ixpk= 921, nxpk= 25, iat= 825, 871, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 GLN HN 54 GLN HB3 4.50 (# 922:25 Unique 3.50, 3.53 A)
&rst
ixpk= 922, nxpk= 25, iat= 866, 871, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 GLN HA 54 GLN HB3 3.50 (# 923:25 Unique 2.58, 2.64 A)
&rst
ixpk= 923, nxpk= 25, iat= 868, 871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 GLN HG- 54 GLN HB3 2.80 (# 924:25 Unique 2.44, 2.77 A)
&rst
ixpk= 924, nxpk= 25, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 873, 874,
&end
#
# 54 GLN HG+ 54 GLN HB3 3.50 (# 925:25 Unique 2.44, 2.77 A)
&rst
ixpk= 925, nxpk= 25, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 873, 874,
&end
#
# 54 GLN HN 54 GLN HB2 3.50 (# 927:25 Unique 2.22, 2.28 A)
&rst
ixpk= 927, nxpk= 25, iat= 866, 870, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 SER HN 54 GLN HB2 4.50 (# 928:25 Unique 2.49, 2.66 A)
&rst
ixpk= 928, nxpk= 25, iat= 883, 870, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 GLN HA 54 GLN HB2 4.50 (# 929:25 Unique 3.00, 3.04 A)
&rst
ixpk= 929, nxpk= 25, iat= 868, 870, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 GLN HG- 54 GLN HB2 2.80 (# 930:25 Unique 2.40, 2.47 A)
&rst
ixpk= 930, nxpk= 25, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 873, 874,
&end
#
# 78 ARG HA 78 ARG HG+ 3.50 (# 931:25 Unique 2.20, 3.03 A)
&rst
ixpk= 931, nxpk= 25, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1227,1228,
&end
#
# 78 ARG QD 78 ARG HG+ 3.50 (# 932:25 Unique 2.26, 2.70 A)
&rst
ixpk= 932, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1230,1231,
igr2=1227,1228,
&end
#
# 78 ARG HB+ 78 ARG HG- 2.80 (# 934:25 Unique 2.35, 2.75 A)
&rst
ixpk= 934, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1224,1225,
igr2=1227,1228,
&end
#
# 78 ARG HA 78 ARG HG- 3.50 (# 935:25 Unique 2.20, 3.03 A)
&rst
ixpk= 935, nxpk= 25, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1227,1228,
&end
#
# 78 ARG QD 78 ARG HG- 3.50 (# 936:25 Unique 2.26, 2.70 A)
&rst
ixpk= 936, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1230,1231,
igr2=1227,1228,
&end
#
# 0 AMB 25-3:937 78 ARG HG- 3.50 (# 937:25 Single Ambig)
&rst
ixpk= 937, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 30, 31, 32, 34, 35, 36, 30, 31, 32, 34,
35, 36,
igr2=1227,1228,
&end
#
# 43 GLU HG+ 5 ARG HG- 5.50 (# 938:25 Unique 2.81, 3.79 A)
&rst
ixpk= 938, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 716, 717,
igr2= 85, 86,
&end
#
# 6 ILE HN 5 ARG HG- 5.50 (# 939:25 Unique 2.50, 3.18 A)
&rst
ixpk= 939, nxpk= 25, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 85, 86,
&end
#
# 5 ARG HN 5 ARG HG- 4.50 (# 940:25 Unique 4.43, 4.67 A)
&rst
ixpk= 940, nxpk= 25, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 85, 86,
&end
#
# 5 ARG HD- 5 ARG HG- 4.50 (# 941:25 Unique 2.35, 2.70 A)
&rst
ixpk= 941, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 88, 89,
igr2= 85, 86,
&end
#
# 5 ARG HD+ 5 ARG HG+ 4.50 (# 943:25 Unique 2.35, 2.70 A)
&rst
ixpk= 943, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 88, 89,
igr2= 85, 86,
&end
#
# 44 ILE HA 44 ILE QG1 5.50 (# 944:25 Unique 2.63, 3.24 A)
&rst
ixpk= 944, nxpk= 25, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 734, 735,
&end
#
# 0 AMB 25-3:946 0 AMB 25-1:946 4.50 (# 946:25 Double Ambig)
&rst
ixpk= 946, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 724, 578,
igr2= 734, 735, 131, 132,
&end
#
# 55 SER HN 54 GLN HB3 3.50 (# 948:25 Unique 3.11, 3.30 A)
&rst
ixpk= 948, nxpk= 25, iat= 883, 871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 GLN HG+ 54 GLN HB2 4.50 (# 949:25 Unique 2.40, 2.47 A)
&rst
ixpk= 949, nxpk= 25, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 873, 874,
&end
#
# 49 PRO HA 49 PRO HG- 4.50 (# 950:25 Unique 3.86, 3.98 A)
&rst
ixpk= 950, nxpk= 25, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 798, 799,
&end
#
# 5 ARG HA 5 ARG HG- 3.50 (# 951:25 Unique 2.37, 2.72 A)
&rst
ixpk= 951, nxpk= 25, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 85, 86,
&end
#
# 49 PRO HD+ 49 PRO HG+ 3.50 (# 953:25 Unique 2.28, 2.60 A)
&rst
ixpk= 953, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 795, 796,
igr2= 798, 799,
&end
#
# 49 PRO HD- 49 PRO HG+ 3.50 (# 954:25 Unique 2.28, 2.60 A)
&rst
ixpk= 954, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 795, 796,
igr2= 798, 799,
&end
#
# 52 ALA QB 49 PRO HG+ 4.50 (# 956:25 Unique 2.24, 3.58 A)
&rst
ixpk= 956, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 841, 842, 843,
igr2= 798, 799,
&end
#
# 49 PRO HA 49 PRO HG- 4.50 (# 957:25 Unique 3.86, 3.98 A)
&rst
ixpk= 957, nxpk= 25, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 798, 799,
&end
#
# 52 ALA QB 49 PRO HG- 4.50 (# 958:25 Unique 2.24, 3.58 A)
&rst
ixpk= 958, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 841, 842, 843,
igr2= 798, 799,
&end
#
# 24 GLU HG- 24 GLU HB3 3.50 (# 962:25 Unique 2.39, 2.75 A)
&rst
ixpk= 962, nxpk= 25, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 404, 405,
&end
#
# 24 GLU HN 24 GLU HB3 5.50 (# 963:25 Unique 3.53, 3.60 A)
&rst
ixpk= 963, nxpk= 25, iat= 397, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LEU HG 5 ARG HG- 2.80 (# 964:25 Unique 2.55, 3.54 A)
&rst
ixpk= 964, nxpk= 25, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 85, 86,
&end
#
# 7 ILE QD1 5 ARG HG- 2.80 (# 965:25 Unique 2.83, 4.68 A)
&rst
ixpk= 965, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 134, 135, 136,
igr2= 85, 86,
&end
#
# 3 GLN HG- 45 LEU HG 5.50 (# 967:25 Unique 3.40, 4.01 A)
&rst
ixpk= 967, nxpk= 25, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 47, 48,
&end
#
# 46 ALA HN 45 LEU HG 4.50 (# 968:25 Unique 3.40, 3.61 A)
&rst
ixpk= 968, nxpk= 25, iat= 762, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 LEU QD+ 45 LEU HG 3.50 (# 969:25 Unique 2.34, 2.65 A)
&rst
ixpk= 969, nxpk= 25, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 752, 753, 754, 756, 757, 758,
&end
#
# 45 LEU HB- 45 LEU HG 4.50 (# 970:25 Unique 2.45, 2.77 A)
&rst
ixpk= 970, nxpk= 25, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 747, 748,
&end
#
# 45 LEU HA 45 LEU HG 3.50 (# 971:25 Unique 2.40, 2.44 A)
&rst
ixpk= 971, nxpk= 25, iat= 745, 750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 LEU HB+ 45 LEU HG 4.50 (# 972:25 Unique 2.45, 2.77 A)
&rst
ixpk= 972, nxpk= 25, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 747, 748,
&end
#
# 43 GLU HG+ 45 LEU HG 5.50 (# 973:25 Unique 5.56, 6.13 A)
&rst
ixpk= 973, nxpk= 25, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 716, 717,
&end
#
# 0 AMB 25-3:974 7 ILE HG1- 5.50 (# 974:25 Single Ambig)
&rst
ixpk= 974, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 127, 128, 129, 134, 135, 136,
igr2= 131, 132,
&end
#
# 7 ILE HA 44 ILE QG1 4.50 (# 976:25 Unique 5.42, 6.24 A)
&rst
ixpk= 976, nxpk= 25, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 734, 735,
&end
#
# 5 ARG HG- 45 LEU HG 2.80 (# 977:25 Unique 2.55, 3.54 A)
&rst
ixpk= 977, nxpk= 25, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 85, 86,
&end
#
# 6 ILE HA 6 ILE HG1- 4.50 (# 978:25 Unique 2.31, 2.69 A)
&rst
ixpk= 978, nxpk= 25, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 112, 113,
&end
#
# 74 VAL QG+ 6 ILE HG1- 4.50 (# 979:25 Unique 2.17, 4.36 A)
&rst
ixpk= 979, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1170,1171,1172,1174,1175,1176,
igr2= 112, 113,
&end
#
# 0 AMB 25-3:981 87 SER HB2 4.50 (# 981:25 Single Ambig)
&rst
ixpk= 981, nxpk= 25, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1385,1404,
&end
#
# 32 GLY HA+ 87 SER HB2 5.50 (# 982:25 Unique 5.62, 6.06 A)
&rst
ixpk= 982, nxpk= 25, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 533, 534,
&end
#
# 87 SER HA 87 SER HB2 4.50 (# 983:25 Unique 3.04, 3.05 A)
&rst
ixpk= 983, nxpk= 25, iat=1376,1378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 SER HN 87 SER HB2 3.50 (# 985:25 Unique 2.32, 2.38 A)
&rst
ixpk= 985, nxpk= 25, iat=1374,1378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:988 87 SER HB3 3.50 (# 988:25 Single Ambig)
&rst
ixpk= 988, nxpk= 25, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1385,1404,
&end
#
# 87 SER HN 87 SER HB3 4.50 (# 990:25 Unique 3.54, 3.58 A)
&rst
ixpk= 990, nxpk= 25, iat=1374,1379, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 SER HA 87 SER HB3 3.50 (# 991:25 Unique 2.40, 2.48 A)
&rst
ixpk= 991, nxpk= 25, iat=1376,1379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 PRO HD+ 49 PRO HG- 3.50 (# 996:25 Unique 2.28, 2.60 A)
&rst
ixpk= 996, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 795, 796,
igr2= 798, 799,
&end
#
# 0 AMB 25-3:997 49 PRO HG- 3.50 (# 997:25 Single Ambig)
&rst
ixpk= 997, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 795, 796, 466, 467,
igr2= 798, 799,
&end
#
# 88 ILE HN 88 ILE HG1- 3.50 (# 999:25 Unique 2.42, 3.20 A)
&rst
ixpk= 999, nxpk= 25, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1395,1396,
&end
#
# 34 VAL QG+ 88 ILE HG1- 4.50 (# 1000:25 Unique 2.63, 4.91 A)
&rst
ixpk= 1000, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 568, 569, 570, 572, 573, 574,
igr2=1395,1396,
&end
#
# 88 ILE QD1 88 ILE HG1- 2.80 (# 1001:25 Unique 2.39, 2.66 A)
&rst
ixpk= 1001, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1398,1399,1400,
igr2=1395,1396,
&end
#
# 88 ILE QG2 88 ILE HG1- 4.50 (# 1003:25 Unique 2.47, 3.50 A)
&rst
ixpk= 1003, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1391,1392,1393,
igr2=1395,1396,
&end
#
# 0 AMB 25-3:1004 0 AMB 25-1:1004 4.50 (# 1004:25 Double Ambig)
&rst
ixpk= 1004, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 614, 412,
igr2= 621, 622, 402,
&end
#
# 24 GLU HA 24 GLU HB3 4.50 (# 1005:25 Unique 2.47, 2.54 A)
&rst
ixpk= 1005, nxpk= 25, iat= 399, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 TYR HB3 6 ILE HG1+ 4.50 (# 1006:25 Unique 3.64, 4.11 A)
&rst
ixpk= 1006, nxpk= 25, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 112, 113,
&end
#
# 6 ILE HN 6 ILE HG1+ 4.50 (# 1007:25 Unique 3.11, 3.63 A)
&rst
ixpk= 1007, nxpk= 25, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 112, 113,
&end
#
# 6 ILE HA 6 ILE HG1+ 3.50 (# 1008:25 Unique 2.31, 2.69 A)
&rst
ixpk= 1008, nxpk= 25, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 112, 113,
&end
#
# 0 AMB 25-3:1010 0 AMB 25-1:1010 2.80 (# 1010:25 Double Ambig)
&rst
ixpk= 1010, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 920, 921, 922, 924, 925, 926,1144,1145, 737, 738,
739,
igr2= 112, 113, 112, 113, 112, 113,
&end
#
# 74 VAL QG- 6 ILE HG1+ 4.50 (# 1011:25 Unique 2.17, 4.36 A)
&rst
ixpk= 1011, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1170,1171,1172,1174,1175,1176,
igr2= 112, 113,
&end
#
# 74 VAL QG+ 6 ILE HG1+ 5.50 (# 1012:25 Unique 2.17, 4.36 A)
&rst
ixpk= 1012, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1170,1171,1172,1174,1175,1176,
igr2= 112, 113,
&end
#
# 6 ILE HB 6 ILE HG1+ 2.80 (# 1013:25 Unique 2.37, 2.72 A)
&rst
ixpk= 1013, nxpk= 25, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 112, 113,
&end
#
# 56 PHE QD 24 GLU HB2 5.50 (# 1014:25 Unique 2.94, 5.04 A)
&rst
ixpk= 1014, nxpk= 25, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 902, 910,
&end
#
# 24 GLU HG- 24 GLU HB2 3.50 (# 1015:25 Unique 2.36, 2.45 A)
&rst
ixpk= 1015, nxpk= 25, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 404, 405,
&end
#
# 24 GLU HN 24 GLU HB2 3.50 (# 1016:25 Unique 2.28, 2.42 A)
&rst
ixpk= 1016, nxpk= 25, iat= 397, 401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:1019 6 ILE HG1- 3.50 (# 1019:25 Single Ambig)
&rst
ixpk= 1019, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 920, 921, 922, 924, 925, 926,1144,1145, 737, 738,
739,
igr2= 112, 113,
&end
#
# 88 ILE HN 88 ILE HG1+ 4.50 (# 1020:25 Unique 2.42, 3.20 A)
&rst
ixpk= 1020, nxpk= 25, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1395,1396,
&end
#
# 34 VAL QG+ 88 ILE HG1+ 5.50 (# 1021:25 Unique 2.63, 4.91 A)
&rst
ixpk= 1021, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 568, 569, 570, 572, 573, 574,
igr2=1395,1396,
&end
#
# 88 ILE QD1 88 ILE HG1+ 2.80 (# 1022:25 Unique 2.39, 2.66 A)
&rst
ixpk= 1022, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1398,1399,1400,
igr2=1395,1396,
&end
#
# 88 ILE HA 88 ILE HG1+ 5.50 (# 1023:25 Unique 2.67, 2.85 A)
&rst
ixpk= 1023, nxpk= 25, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1395,1396,
&end
#
# 88 ILE QG2 88 ILE HG1+ 4.50 (# 1024:25 Unique 2.47, 3.50 A)
&rst
ixpk= 1024, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1391,1392,1393,
igr2=1395,1396,
&end
#
# 88 ILE HB 88 ILE HG1+ 4.50 (# 1025:25 Unique 2.33, 2.80 A)
&rst
ixpk= 1025, nxpk= 25, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1395,1396,
&end
#
# 65 PRO HD- 65 PRO QG 3.50 (# 1028:25 Unique 2.32, 2.61 A)
&rst
ixpk= 1028, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1026,1027,
igr2=1029,1030,
&end
#
# 65 PRO HB+ 65 PRO QG 2.80 (# 1029:25 Unique 2.37, 2.63 A)
&rst
ixpk= 1029, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1032,1033,
igr2=1029,1030,
&end
#
# 65 PRO HA 65 PRO QG 3.50 (# 1030:25 Unique 2.83, 3.74 A)
&rst
ixpk= 1030, nxpk= 25, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1029,1030,
&end
#
# 65 PRO HB- 65 PRO QG 3.50 (# 1031:25 Unique 2.37, 2.63 A)
&rst
ixpk= 1031, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1032,1033,
igr2=1029,1030,
&end
#
# 65 PRO HB+ 65 PRO QG 2.80 (# 1032:25 Unique 2.37, 2.63 A)
&rst
ixpk= 1032, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1032,1033,
igr2=1029,1030,
&end
#
# 65 PRO HD+ 65 PRO QG 3.50 (# 1033:25 Unique 2.32, 2.61 A)
&rst
ixpk= 1033, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1026,1027,
igr2=1029,1030,
&end
#
# 88 ILE HA 88 ILE HG1- 4.50 (# 1034:25 Unique 2.67, 2.85 A)
&rst
ixpk= 1034, nxpk= 25, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1395,1396,
&end
#
# 37 ARG HA 37 ARG HG+ 3.50 (# 1036:25 Unique 2.35, 2.72 A)
&rst
ixpk= 1036, nxpk= 25, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 621, 622,
&end
#
# 37 ARG HD+ 37 ARG HG+ 4.50 (# 1038:25 Unique 2.27, 2.66 A)
&rst
ixpk= 1038, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 624, 625,
igr2= 621, 622,
&end
#
# 56 PHE QD 24 GLU HB3 4.50 (# 1039:25 Unique 2.35, 4.16 A)
&rst
ixpk= 1039, nxpk= 25, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 902, 910,
&end
#
# 0 AMB 25-3:1040 0 AMB 25-1:1040 3.50 (# 1040:25 Double Ambig)
&rst
ixpk= 1040, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 412, 614,
igr2= 401, 621, 622,
&end
#
# 37 ARG HB3 37 ARG HG- 3.50 (# 1041:25 Unique 2.32, 2.73 A)
&rst
ixpk= 1041, nxpk= 25, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 621, 622,
&end
#
# 37 ARG HB2 37 ARG HG- 2.80 (# 1042:25 Unique 2.48, 2.80 A)
&rst
ixpk= 1042, nxpk= 25, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 621, 622,
&end
#
# 37 ARG HA 37 ARG HG- 5.50 (# 1044:25 Unique 2.35, 2.72 A)
&rst
ixpk= 1044, nxpk= 25, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 621, 622,
&end
#
# 37 ARG HD+ 37 ARG HG- 4.50 (# 1045:25 Unique 2.27, 2.66 A)
&rst
ixpk= 1045, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 624, 625,
igr2= 621, 622,
&end
#
# 88 ILE HB 88 ILE HG1+ 4.50 (# 1047:25 Unique 2.33, 2.80 A)
&rst
ixpk= 1047, nxpk= 25, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1395,1396,
&end
#
# 65 PRO HD- 65 PRO HA 5.50 (# 1049:25 Unique 3.38, 3.74 A)
&rst
ixpk= 1049, nxpk= 25, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1026,1027,
&end
#
# 65 PRO HB- 65 PRO HA 3.50 (# 1050:25 Unique 2.27, 2.59 A)
&rst
ixpk= 1050, nxpk= 25, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1032,1033,
&end
#
# 3 GLN HB2 77 SER HB+ 4.50 (# 1051:25 Unique 2.83, 3.72 A)
&rst
ixpk= 1051, nxpk= 25, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1213,1214,
&end
#
# 75 THR HB 77 SER HB- 5.50 (# 1052:25 Unique 6.15, 7.24 A)
&rst
ixpk= 1052, nxpk= 25, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1213,1214,
&end
#
# 18 ARG HA 18 ARG QG 5.50 (# 1055:25 Unique 2.35, 2.98 A)
&rst
ixpk= 1055, nxpk= 25, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 289, 290,
&end
#
# 37 ARG HD- 37 ARG HG- 4.50 (# 1057:25 Unique 2.27, 2.66 A)
&rst
ixpk= 1057, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 624, 625,
igr2= 621, 622,
&end
#
# 66 PHE HN 65 PRO HA 5.50 (# 1058:25 Unique 3.51, 3.53 A)
&rst
ixpk= 1058, nxpk= 25, iat=1039,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 PRO QG 65 PRO HA 3.50 (# 1059:25 Unique 2.83, 3.74 A)
&rst
ixpk= 1059, nxpk= 25, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1029,1030,
&end
#
# 65 PRO HB+ 65 PRO HA 3.50 (# 1061:25 Unique 2.27, 2.59 A)
&rst
ixpk= 1061, nxpk= 25, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1032,1033,
&end
#
# 79 SER HB2 77 SER HB+ 5.50 (# 1062:25 Unique 2.93, 4.31 A)
&rst
ixpk= 1062, nxpk= 25, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1213,1214,
&end
#
# 77 SER HN 77 SER HB+ 3.50 (# 1063:25 Unique 2.91, 3.52 A)
&rst
ixpk= 1063, nxpk= 25, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1213,1214,
&end
#
# 79 SER HN 77 SER HB+ 4.50 (# 1066:25 Unique 2.62, 3.10 A)
&rst
ixpk= 1066, nxpk= 25, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1213,1214,
&end
#
# 77 SER HN 77 SER HB- 3.50 (# 1067:25 Unique 2.91, 3.52 A)
&rst
ixpk= 1067, nxpk= 25, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1213,1214,
&end
#
# 79 SER HN 77 SER HB- 4.50 (# 1068:25 Unique 2.62, 3.10 A)
&rst
ixpk= 1068, nxpk= 25, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1213,1214,
&end
#
# 3 GLN HB2 77 SER HB- 4.50 (# 1071:25 Unique 2.83, 3.72 A)
&rst
ixpk= 1071, nxpk= 25, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1213,1214,
&end
#
# 3 GLN HB3 77 SER HB- 5.50 (# 1072:25 Unique 2.06, 2.92 A)
&rst
ixpk= 1072, nxpk= 25, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1213,1214,
&end
#
# 75 THR HB 77 SER HB- 5.50 (# 1073:25 Unique 6.15, 7.24 A)
&rst
ixpk= 1073, nxpk= 25, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1213,1214,
&end
#
# 0 AMB 25-3:1076 0 AMB 25-1:1076 3.50 (# 1076:25 Double Ambig)
&rst
ixpk= 1076, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 177,1061,
igr2= 182, 183, 182, 183,
&end
#
# 0 AMB 25-3:1077 0 AMB 25-1:1077 3.50 (# 1077:25 Double Ambig)
&rst
ixpk= 1077, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 292, 293, 185, 186,
igr2= 289, 290, 182, 183,
&end
#
# 7 ILE HN 73 SER QB 3.50 (# 1082:25 Unique 3.09, 3.87 A)
&rst
ixpk= 1082, nxpk= 25, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1157,1158,
&end
#
# 0 AMB 25-3:1084 11 ARG HG- 3.50 (# 1084:25 Single Ambig)
&rst
ixpk= 1084, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 177,1061,
igr2= 182, 183,
&end
#
# 11 ARG HD+ 11 ARG HG- 3.50 (# 1085:25 Unique 2.32, 2.63 A)
&rst
ixpk= 1085, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 185, 186,
igr2= 182, 183,
&end
#
# 11 ARG HB+ 11 ARG HG+ 2.80 (# 1087:25 Unique 2.28, 2.71 A)
&rst
ixpk= 1087, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 179, 180,
igr2= 182, 183,
&end
#
# 73 SER HN 73 SER QB 2.80 (# 1089:25 Unique 2.57, 3.20 A)
&rst
ixpk= 1089, nxpk= 25, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1157,1158,
&end
#
# 7 ILE HB 73 SER QB 3.50 (# 1091:25 Unique 2.22, 3.16 A)
&rst
ixpk= 1091, nxpk= 25, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1157,1158,
&end
#
# 0 AMB 25-3:1092 73 SER QB 3.50 (# 1092:25 Single Ambig)
&rst
ixpk= 1092, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 134, 135, 136, 127, 128, 129,
igr2=1157,1158,
&end
#
# 48 GLY HN 53 LEU QD- 2.80 (# 1095:25 Unique 2.41, 3.97 A)
&rst
ixpk= 1095, nxpk= 25, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 57 VAL QG+ 53 LEU QD- 5.50 (# 1097:25 Unique 2.47, 7.87 A)
&rst
ixpk= 1097, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 920, 921, 922, 924, 925, 926,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 4 TYR HN 53 LEU QD- 4.50 (# 1099:25 Unique 3.00, 4.72 A)
&rst
ixpk= 1099, nxpk= 25, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 0 AMB 25-3:1100 53 LEU QD- 5.50 (# 1100:25 Single Ambig)
&rst
ixpk= 1100, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 21, 914,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 0 AMB 25-3:1101 53 LEU QD- 4.50 (# 1101:25 Single Ambig)
&rst
ixpk= 1101, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 40, 894,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 53 LEU HN 53 LEU QD- 4.50 (# 1102:25 Unique 3.13, 4.48 A)
&rst
ixpk= 1102, nxpk= 25, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 4 TYR QD 53 LEU QD- 4.50 (# 1103:25 Unique 2.31, 5.28 A)
&rst
ixpk= 1103, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 65, 74,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 56 PHE QD 53 LEU QD- 5.50 (# 1104:25 Unique 2.75, 6.88 A)
&rst
ixpk= 1104, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 902, 910,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 3 GLN HA 53 LEU QD- 4.50 (# 1105:25 Unique 2.61, 4.44 A)
&rst
ixpk= 1105, nxpk= 25, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 50 GLU HA 53 LEU QD- 3.50 (# 1106:25 Unique 2.27, 4.50 A)
&rst
ixpk= 1106, nxpk= 25, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 0 AMB 25-3:1107 53 LEU QD- 5.50 (# 1107:25 Single Ambig)
&rst
ixpk= 1107, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 61, 916,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 0 AMB 25-3:1108 53 LEU QD- 4.50 (# 1108:25 Single Ambig)
&rst
ixpk= 1108, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 815, 816,1201,1202, 798, 799,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 0 AMB 25-3:1109 53 LEU QD- 5.50 (# 1109:25 Single Ambig)
&rst
ixpk= 1109, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 8, 9, 106,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 2 LEU HB- 53 LEU QD- 2.80 (# 1110:25 Unique 2.23, 5.33 A)
&rst
ixpk= 1110, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 25, 26,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 0 AMB 25-3:1111 53 LEU QD- 2.80 (# 1111:25 Single Ambig)
&rst
ixpk= 1111, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 854, 30, 31, 32, 34, 35, 36, 30, 31, 32,
34, 35, 36, 766, 767, 768,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 53 LEU HB3 53 LEU QD- 3.50 (# 1112:25 Unique 2.35, 3.17 A)
&rst
ixpk= 1112, nxpk= 25, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 0 AMB 25-3:1115 53 LEU QD- 5.50 (# 1115:25 Single Ambig)
&rst
ixpk= 1115, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 812, 813, 798, 799,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 91 SER HN 91 SER QB 4.50 (# 1117:25 Unique 2.55, 3.08 A)
&rst
ixpk= 1117, nxpk= 25, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1445,1446,
&end
#
# 91 SER HA 91 SER QB 3.50 (# 1118:25 Unique 2.40, 2.73 A)
&rst
ixpk= 1118, nxpk= 25, iat=1443, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1445,1446,
&end
#
# 2 LEU HG 2 LEU QD- 3.50 (# 1120:25 Unique 2.37, 2.64 A)
&rst
ixpk= 1120, nxpk= 25, iat= 28, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 50 GLU QB 2 LEU QD- 2.80 (# 1121:25 Unique 2.41, 5.02 A)
&rst
ixpk= 1121, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 812, 813,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 2 LEU HB- 2 LEU QD- 2.80 (# 1122:25 Unique 2.33, 3.30 A)
&rst
ixpk= 1122, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 25, 26,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 53 LEU HB3 2 LEU QD- 5.50 (# 1123:25 Unique 4.21, 7.05 A)
&rst
ixpk= 1123, nxpk= 25, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 3 GLN HN 2 LEU QD- 4.50 (# 1124:25 Unique 2.10, 3.91 A)
&rst
ixpk= 1124, nxpk= 25, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 2 LEU HA 2 LEU QD- 5.50 (# 1126:25 Unique 2.18, 3.95 A)
&rst
ixpk= 1126, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 0 AMB 25-3:1127 2 LEU QD- 2.80 (# 1127:25 Single Ambig)
&rst
ixpk= 1127, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 815, 816,1224,1225,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 78 ARG HG- 2 LEU QD- 3.50 (# 1128:25 Unique 2.25, 5.65 A)
&rst
ixpk= 1128, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1227,1228,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 85 ARG HN 85 ARG HG+ 5.50 (# 1130:25 Unique 2.58, 3.80 A)
&rst
ixpk= 1130, nxpk= 25, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1337,1338,
&end
#
# 78 ARG HA 2 LEU QD- 5.50 (# 1131:25 Unique 2.21, 4.99 A)
&rst
ixpk= 1131, nxpk= 25, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 50 GLU HA 2 LEU QD- 4.50 (# 1132:25 Unique 2.65, 5.21 A)
&rst
ixpk= 1132, nxpk= 25, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 53 LEU QD- 2 LEU QD- 4.50 (# 1134:25 Unique 2.35, 7.04 A)
&rst
ixpk= 1134, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 856, 857, 858, 860, 861, 862,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 85 ARG QB 85 ARG HG+ 2.80 (# 1136:25 Unique 2.26, 2.62 A)
&rst
ixpk= 1136, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1334,1335,
igr2=1337,1338,
&end
#
# 85 ARG HA 85 ARG HG+ 5.50 (# 1137:25 Unique 2.79, 3.80 A)
&rst
ixpk= 1137, nxpk= 25, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1337,1338,
&end
#
# 85 ARG QD 85 ARG HG+ 3.50 (# 1138:25 Unique 2.21, 2.70 A)
&rst
ixpk= 1138, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1340,1341,
igr2=1337,1338,
&end
#
# 85 ARG HA 85 ARG HG- 5.50 (# 1139:25 Unique 2.79, 3.80 A)
&rst
ixpk= 1139, nxpk= 25, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1337,1338,
&end
#
# 85 ARG QD 85 ARG HG- 4.50 (# 1140:25 Unique 2.21, 2.70 A)
&rst
ixpk= 1140, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1340,1341,
igr2=1337,1338,
&end
#
# 85 ARG QB 85 ARG HG- 2.80 (# 1141:25 Unique 2.26, 2.62 A)
&rst
ixpk= 1141, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1334,1335,
igr2=1337,1338,
&end
#
# 53 LEU QD+ 30 LEU QD+ 3.50 (# 1142:25 Unique 2.35, 5.24 A)
&rst
ixpk= 1142, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 856, 857, 858, 860, 861, 862,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 30 LEU HN 30 LEU HG 5.50 (# 1145:25 Unique 2.25, 2.42 A)
&rst
ixpk= 1145, nxpk= 25, iat= 502, 509, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 LEU QD- 30 LEU HG 4.50 (# 1146:25 Unique 2.36, 2.66 A)
&rst
ixpk= 1146, nxpk= 25, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 511, 512, 513, 515, 516, 517,
&end
#
# 30 LEU QD+ 30 LEU HG 3.50 (# 1147:25 Unique 2.36, 2.66 A)
&rst
ixpk= 1147, nxpk= 25, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 511, 512, 513, 515, 516, 517,
&end
#
# 28 ARG HB3 30 LEU QD+ 5.50 (# 1148:25 Unique 2.64, 3.84 A)
&rst
ixpk= 1148, nxpk= 25, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 30 LEU HN 30 LEU QD+ 4.50 (# 1149:25 Unique 2.65, 4.33 A)
&rst
ixpk= 1149, nxpk= 25, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 56 PHE QD 30 LEU QD+ 3.50 (# 1150:25 Unique 2.15, 5.61 A)
&rst
ixpk= 1150, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 902, 910,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 30 LEU HA 30 LEU QD+ 5.50 (# 1151:25 Unique 2.20, 3.78 A)
&rst
ixpk= 1151, nxpk= 25, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 0 AMB 25-3:1152 0 AMB 25-1:1152 4.50 (# 1152:25 Double Ambig)
&rst
ixpk= 1152, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 795, 796, 849,
igr2= 511, 512, 513, 515, 516, 517, 511, 512, 513, 515,
516, 517,
&end
#
# 49 PRO HD- 30 LEU QD+ 4.50 (# 1153:25 Unique 2.22, 4.65 A)
&rst
ixpk= 1153, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 795, 796,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 25 ALA HA 30 LEU QD+ 3.50 (# 1154:25 Unique 2.09, 4.20 A)
&rst
ixpk= 1154, nxpk= 25, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 56 PHE HB2 30 LEU QD+ 4.50 (# 1155:25 Unique 3.16, 5.28 A)
&rst
ixpk= 1155, nxpk= 25, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 0 AMB 25-3:1156 0 AMB 25-1:1156 5.50 (# 1156:25 Double Ambig)
&rst
ixpk= 1156, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 466, 467, 447, 448,
igr2= 511, 512, 513, 515, 516, 517, 511, 512, 513, 515,
516, 517,
&end
#
# 52 ALA QB 30 LEU QD+ 3.50 (# 1157:25 Unique 2.79, 5.25 A)
&rst
ixpk= 1157, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 841, 842, 843,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 30 LEU HG 30 LEU QD+ 2.80 (# 1158:25 Unique 2.36, 2.66 A)
&rst
ixpk= 1158, nxpk= 25, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 30 LEU HB2 30 LEU QD+ 3.50 (# 1159:25 Unique 2.41, 3.56 A)
&rst
ixpk= 1159, nxpk= 25, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 30 LEU HB3 30 LEU QD+ 3.50 (# 1160:25 Unique 2.37, 3.14 A)
&rst
ixpk= 1160, nxpk= 25, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 53 LEU QD- 53 LEU HG 4.50 (# 1165:25 Unique 2.31, 2.66 A)
&rst
ixpk= 1165, nxpk= 25, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 53 LEU HN 53 LEU HG 4.50 (# 1169:25 Unique 2.50, 2.67 A)
&rst
ixpk= 1169, nxpk= 25, iat= 847, 854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU HA 53 LEU HG 5.50 (# 1170:25 Unique 3.32, 3.39 A)
&rst
ixpk= 1170, nxpk= 25, iat= 849, 854, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LEU HB3 53 LEU HG 5.50 (# 1171:25 Unique 2.25, 2.95 A)
&rst
ixpk= 1171, nxpk= 25, iat= 852, 854, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 TRP HE1 45 LEU QD- 3.50 (# 1172:25 Unique 3.79, 5.50 A)
&rst
ixpk= 1172, nxpk= 25, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 3 GLN HE2+ 45 LEU QD- 3.50 (# 1173:25 Unique 3.48, 5.65 A)
&rst
ixpk= 1173, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 52, 53,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 33 TRP HH2 45 LEU QD- 4.50 (# 1174:25 Unique 3.08, 4.93 A)
&rst
ixpk= 1174, nxpk= 25, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 33 TRP HD1 45 LEU QD- 4.50 (# 1175:25 Unique 5.63, 6.74 A)
&rst
ixpk= 1175, nxpk= 25, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 5 ARG HA 45 LEU QD- 4.50 (# 1176:25 Unique 4.18, 4.93 A)
&rst
ixpk= 1176, nxpk= 25, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 5 ARG HD- 45 LEU QD- 5.50 (# 1177:25 Unique 2.39, 5.60 A)
&rst
ixpk= 1177, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 88, 89,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 0 AMB 25-3:1178 45 LEU QD- 3.50 (# 1178:25 Single Ambig)
&rst
ixpk= 1178, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 47, 48, 533, 534,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 0 AMB 25-3:1179 0 AMB 25-1:1179 4.50 (# 1179:25 Double Ambig)
&rst
ixpk= 1179, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1281,1282, 716, 717, 716, 717,
igr2=1264,1265,1266,1268,1269,1270, 752, 753, 754, 756,
757, 758,
&end
#
# 0 AMB 25-3:1180 45 LEU QD- 3.50 (# 1180:25 Single Ambig)
&rst
ixpk= 1180, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 47, 48, 82,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 45 LEU HB+ 45 LEU QD- 3.50 (# 1181:25 Unique 2.29, 3.32 A)
&rst
ixpk= 1181, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 747, 748,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 45 LEU HB- 45 LEU QD- 3.50 (# 1182:25 Unique 2.29, 3.32 A)
&rst
ixpk= 1182, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 747, 748,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 46 ALA HN 45 LEU QD- 4.50 (# 1183:25 Unique 2.34, 4.64 A)
&rst
ixpk= 1183, nxpk= 25, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 0 AMB 25-3:1184 45 LEU QD- 3.50 (# 1184:25 Single Ambig)
&rst
ixpk= 1184, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 52, 53, 67, 72,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 45 LEU HA 45 LEU QD- 3.50 (# 1185:25 Unique 2.84, 4.13 A)
&rst
ixpk= 1185, nxpk= 25, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 0 AMB 25-3:1186 0 AMB 25-1:1186 4.50 (# 1186:25 Double Ambig)
&rst
ixpk= 1186, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1281,1282,1281,1282,
igr2=1264,1265,1266,1268,1269,1270, 752, 753, 754, 756,
757, 758,
&end
#
# 61 LYS HN 61 LYS QG 4.50 (# 1188:25 Unique 2.21, 2.84 A)
&rst
ixpk= 1188, nxpk= 25, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 978, 979,
&end
#
# 61 LYS HA 61 LYS QG 4.50 (# 1189:25 Unique 3.74, 3.76 A)
&rst
ixpk= 1189, nxpk= 25, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 978, 979,
&end
#
# 0 AMB 25-3:1190 0 AMB 25-1:1190 4.50 (# 1190:25 Double Ambig)
&rst
ixpk= 1190, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 997, 998, 466, 467,
igr2= 978, 979, 487, 488,
&end
#
# 61 LYS HB+ 61 LYS QG 2.80 (# 1191:25 Unique 2.42, 2.75 A)
&rst
ixpk= 1191, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 975, 976,
igr2= 978, 979,
&end
#
# 0 AMB 25-3:1192 61 LYS QG 4.50 (# 1192:25 Single Ambig)
&rst
ixpk= 1192, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 920, 921, 922, 924, 925, 926,1098,1099,1100,1102,
1103,1104,1098,1099,1100,1102,1103,1104,
igr2= 978, 979,
&end
#
# 53 LEU QD+ 53 LEU HG 4.50 (# 1193:25 Unique 2.31, 2.66 A)
&rst
ixpk= 1193, nxpk= 25, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 5 ARG HD+ 45 LEU QD- 5.50 (# 1194:25 Unique 2.39, 5.60 A)
&rst
ixpk= 1194, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 88, 89,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 82 GLY HN 80 LEU QD+ 4.50 (# 1195:25 Unique 2.66, 6.64 A)
&rst
ixpk= 1195, nxpk= 25, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1264,1265,1266,1268,1269,1270,
&end
#
# 45 LEU HG 45 LEU QD- 2.80 (# 1197:25 Unique 2.34, 2.65 A)
&rst
ixpk= 1197, nxpk= 25, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 27 LYS HN 27 LYS QG 4.50 (# 1198:25 Unique 2.25, 3.18 A)
&rst
ixpk= 1198, nxpk= 25, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 441, 442,
&end
#
# 0 AMB 25-3:1199 27 LYS QG 4.50 (# 1199:25 Single Ambig)
&rst
ixpk= 1199, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 436, 382,
igr2= 441, 442,
&end
#
# 0 AMB 25-3:1201 0 AMB 25-1:1201 4.50 (# 1201:25 Double Ambig)
&rst
ixpk= 1201, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 493, 494, 984, 985,
igr2= 487, 488, 978, 979,
&end
#
# 29 LYS HN 29 LYS QG 3.50 (# 1202:25 Unique 2.67, 3.19 A)
&rst
ixpk= 1202, nxpk= 25, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 487, 488,
&end
#
# 29 LYS HA 29 LYS QG 3.50 (# 1203:25 Unique 2.39, 2.96 A)
&rst
ixpk= 1203, nxpk= 25, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 487, 488,
&end
#
# 29 LYS QB 29 LYS QG 2.80 (# 1204:25 Unique 2.26, 2.73 A)
&rst
ixpk= 1204, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 484, 485,
igr2= 487, 488,
&end
#
# 53 LEU QD- 2 LEU QD+ 3.50 (# 1207:25 Unique 2.35, 7.04 A)
&rst
ixpk= 1207, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 856, 857, 858, 860, 861, 862,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 3 GLN HN 2 LEU QD+ 3.50 (# 1208:25 Unique 2.10, 3.91 A)
&rst
ixpk= 1208, nxpk= 25, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 2 LEU HA 2 LEU QD+ 4.50 (# 1210:25 Unique 2.18, 3.95 A)
&rst
ixpk= 1210, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 78 ARG HA 2 LEU QD+ 3.50 (# 1211:25 Unique 2.21, 4.99 A)
&rst
ixpk= 1211, nxpk= 25, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 78 ARG QD 2 LEU QD+ 4.50 (# 1213:25 Unique 2.13, 5.91 A)
&rst
ixpk= 1213, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1230,1231,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 0 AMB 25-3:1214 0 AMB 25-1:1214 2.80 (# 1214:25 Double Ambig)
&rst
ixpk= 1214, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 815, 816,1224,1225,
igr2= 30, 31, 32, 34, 35, 36, 30, 31, 32, 34,
35, 36,
&end
#
# 50 GLU QB 2 LEU QD+ 3.50 (# 1215:25 Unique 2.41, 5.02 A)
&rst
ixpk= 1215, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 812, 813,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 0 AMB 25-3:1216 0 AMB 25-1:1216 2.80 (# 1216:25 Double Ambig)
&rst
ixpk= 1216, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1227,1228,1224,1225,
igr2= 30, 31, 32, 34, 35, 36, 30, 31, 32, 34,
35, 36,
&end
#
# 46 ALA QB 45 LEU QD- 4.50 (# 1218:25 Unique 4.77, 7.36 A)
&rst
ixpk= 1218, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 766, 767, 768,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 0 AMB 25-3:1219 0 AMB 25-1:1219 3.50 (# 1219:25 Double Ambig)
&rst
ixpk= 1219, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 743,1244, 40,
igr2= 752, 753, 754, 756, 757, 758,1264,1265,1266,1268,
1269,1270,
&end
#
# 2 LEU HA 80 LEU QD+ 3.50 (# 1221:25 Unique 4.72, 8.07 A)
&rst
ixpk= 1221, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1264,1265,1266,1268,1269,1270,
&end
#
# 0 AMB 25-3:1222 0 AMB 25-1:1222 5.50 (# 1222:25 Double Ambig)
&rst
ixpk= 1222, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
igr1=1291,1292,1213,1214,1249,
igr2=1264,1265,1266,1268,1269,1270, 752, 753, 754, 756,
757, 758,1264,1265,1266,1268,1269,1270,
&end
#
# 47 GLU QB 0 AMB 25-1:1223 5.50 (# 1223:25 Single Ambig)
&rst
ixpk= 1223, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 776, 777,
igr2= 752, 753, 754, 756, 757, 758,1264,1265,1266,1268,
1269,1270,
&end
#
# 0 AMB 25-3:1224 45 LEU QD- 4.50 (# 1224:25 Single Ambig)
&rst
ixpk= 1224, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 83, 728,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 0 AMB 25-3:1225 0 AMB 25-1:1225 4.50 (# 1225:25 Double Ambig)
&rst
ixpk= 1225, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 8, 9,1227,1228,
igr2=1264,1265,1266,1268,1269,1270,1264,1265,1266,1268,
1269,1270,
&end
#
# 80 LEU QB 80 LEU QD+ 2.80 (# 1226:25 Unique 2.42, 3.41 A)
&rst
ixpk= 1226, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1259,1260,
igr2=1264,1265,1266,1268,1269,1270,
&end
#
# 80 LEU HN 80 LEU QD+ 4.50 (# 1227:25 Unique 2.83, 5.17 A)
&rst
ixpk= 1227, nxpk= 25, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1264,1265,1266,1268,1269,1270,
&end
#
# 0 AMB 25-3:1228 0 AMB 25-1:1228 4.50 (# 1228:25 Double Ambig)
&rst
ixpk= 1228, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1246,1222,
igr2=1264,1265,1266,1268,1269,1270,1264,1265,1266,1268,
1269,1270,
&end
#
# 80 LEU HA 80 LEU QD+ 4.50 (# 1229:25 Unique 2.06, 3.65 A)
&rst
ixpk= 1229, nxpk= 25, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1264,1265,1266,1268,1269,1270,
&end
#
# 1 MET HG+ 80 LEU QD+ 5.50 (# 1230:25 Unique 3.61, 7.13 A)
&rst
ixpk= 1230, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 11, 12,
igr2=1264,1265,1266,1268,1269,1270,
&end
#
# 0 AMB 25-3:1231 0 AMB 25-1:1231 5.50 (# 1231:25 Double Ambig)
&rst
ixpk= 1231, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 870,1198,1199,
igr2= 920, 921, 922, 924, 925, 926, 920, 921, 922, 924,
925, 926,
&end
#
# 0 AMB 25-3:1232 0 AMB 25-1:1232 5.50 (# 1232:25 Double Ambig)
&rst
ixpk= 1232, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 106, 728,
igr2= 920, 921, 922, 924, 925, 926, 920, 921, 922, 924,
925, 926,
&end
#
# 53 LEU QD+ 57 VAL QG+ 5.50 (# 1233:25 Unique 2.47, 7.87 A)
&rst
ixpk= 1233, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 856, 857, 858, 860, 861, 862,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 2 LEU HG 2 LEU QD+ 2.80 (# 1235:25 Unique 2.37, 2.64 A)
&rst
ixpk= 1235, nxpk= 25, iat= 28, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 2 LEU HN 2 LEU QD+ 5.50 (# 1236:25 Unique 4.76, 5.56 A)
&rst
ixpk= 1236, nxpk= 25, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 30, 31, 32, 34, 35, 36,
&end
#
# 2 LEU HN 80 LEU QD+ 5.50 (# 1237:25 Unique 5.12, 8.37 A)
&rst
ixpk= 1237, nxpk= 25, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1264,1265,1266,1268,1269,1270,
&end
#
# 57 VAL HN 55 SER HB+ 5.50 (# 1238:25 Unique 5.22, 5.56 A)
&rst
ixpk= 1238, nxpk= 25, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 887, 888,
&end
#
# 70 THR HN 69 VAL HA 2.80 (# 1239:25 Unique 2.18, 2.24 A)
&rst
ixpk= 1239, nxpk= 25, iat=1108,1094, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-3:1240 69 VAL HA 2.80 (# 1240:25 Single Ambig)
&rst
ixpk= 1240, nxpk= 25, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 69 VAL HN 69 VAL HA 4.50 (# 1241:25 Unique 2.86, 2.88 A)
&rst
ixpk= 1241, nxpk= 25, iat=1092,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 VAL QG+ 69 VAL HA 4.50 (# 1242:25 Unique 3.50, 5.81 A)
&rst
ixpk= 1242, nxpk= 25, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 146, 147, 148, 150, 151, 152,
&end
#
# 12 VAL QG+ 69 VAL HA 4.50 (# 1243:25 Unique 2.44, 4.17 A)
&rst
ixpk= 1243, nxpk= 25, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 205, 206, 207, 209, 210, 211,
&end
#
# 0 AMB 25-3:1245 0 AMB 25-1:1245 3.50 (# 1245:25 Double Ambig)
&rst
ixpk= 1245, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1026,1027,1043,1044,
igr2=1018,1019,1018,1019,
&end
#
# 79 SER HN 79 SER HB2 4.50 (# 1246:25 Unique 2.53, 2.80 A)
&rst
ixpk= 1246, nxpk= 25, iat=1244,1248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 SER HN 79 SER HB3 4.50 (# 1247:25 Unique 2.77, 3.35 A)
&rst
ixpk= 1247, nxpk= 25, iat=1244,1249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 PHE HB+ 64 SER HB- 5.50 (# 1248:25 Unique 2.16, 3.56 A)
&rst
ixpk= 1248, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 331, 332,
igr2=1018,1019,
&end
#
# 65 PRO HD+ 64 SER HB- 4.50 (# 1250:25 Unique 2.21, 3.20 A)
&rst
ixpk= 1250, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1026,1027,
igr2=1018,1019,
&end
#
# 0 AMB 25-3:1251 64 SER HB- 4.50 (# 1251:25 Single Ambig)
&rst
ixpk= 1251, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1026,1027,1043,1044,
igr2=1018,1019,
&end
#
# 17 PHE HA 64 SER HB- 5.50 (# 1252:25 Unique 3.52, 4.17 A)
&rst
ixpk= 1252, nxpk= 25, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1018,1019,
&end
#
# 68 LYS HA 68 LYS HG+ 4.50 (# 1254:25 Unique 2.44, 2.95 A)
&rst
ixpk= 1254, nxpk= 25, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1077,1078,
&end
#
# 56 PHE HB3 57 VAL QG+ 5.50 (# 1255:25 Unique 4.02, 6.15 A)
&rst
ixpk= 1255, nxpk= 25, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 57 VAL HN 57 VAL QG+ 2.80 (# 1256:25 Unique 2.19, 3.85 A)
&rst
ixpk= 1256, nxpk= 25, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 0 AMB 25-3:1257 0 AMB 25-1:1257 4.50 (# 1257:25 Double Ambig)
&rst
ixpk= 1257, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 878, 879, 930,
igr2= 920, 921, 922, 924, 925, 926, 920, 921, 922, 924,
925, 926,
&end
#
# 4 TYR QD 57 VAL QG+ 3.50 (# 1258:25 Unique 2.42, 5.58 A)
&rst
ixpk= 1258, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 65, 74,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 56 PHE QD 57 VAL QG+ 4.50 (# 1259:25 Unique 5.44, 7.92 A)
&rst
ixpk= 1259, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 902, 910,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 54 GLN HA 57 VAL QG+ 3.50 (# 1260:25 Unique 2.38, 4.53 A)
&rst
ixpk= 1260, nxpk= 25, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 57 VAL HA 57 VAL QG+ 2.80 (# 1261:25 Unique 2.38, 3.15 A)
&rst
ixpk= 1261, nxpk= 25, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 57 VAL HB 57 VAL QG+ 2.80 (# 1263:25 Unique 2.32, 2.67 A)
&rst
ixpk= 1263, nxpk= 25, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 6 ILE QD1 57 VAL QG+ 2.80 (# 1264:25 Unique 2.23, 3.56 A)
&rst
ixpk= 1264, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 115, 116, 117,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 74 VAL QG- 57 VAL QG+ 3.50 (# 1266:25 Unique 2.60, 5.46 A)
&rst
ixpk= 1266, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1170,1171,1172,1174,1175,1176,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 74 VAL QG+ 57 VAL QG+ 3.50 (# 1267:25 Unique 2.60, 5.46 A)
&rst
ixpk= 1267, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1170,1171,1172,1174,1175,1176,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 22 GLN HN 21 VAL QG- 4.50 (# 1268:25 Unique 3.49, 4.62 A)
&rst
ixpk= 1268, nxpk= 25, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 17 PHE HZ 21 VAL QG- 4.50 (# 1269:25 Unique 3.38, 5.23 A)
&rst
ixpk= 1269, nxpk= 25, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 56 PHE QD 21 VAL QG- 5.50 (# 1271:25 Unique 4.45, 7.81 A)
&rst
ixpk= 1271, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 902, 910,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 17 PHE QD 21 VAL QG- 4.50 (# 1273:25 Unique 2.75, 5.98 A)
&rst
ixpk= 1273, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 270, 278,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 21 VAL HA 21 VAL QG- 2.80 (# 1274:25 Unique 2.31, 3.15 A)
&rst
ixpk= 1274, nxpk= 25, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 21 VAL HB 21 VAL QG- 2.80 (# 1275:25 Unique 2.41, 2.67 A)
&rst
ixpk= 1275, nxpk= 25, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 0 AMB 25-3:1276 21 VAL QG- 2.80 (# 1276:25 Single Ambig)
&rst
ixpk= 1276, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 734, 735, 730, 731, 732, 568, 569, 570, 572, 573,
574,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 60 VAL QG2 21 VAL QG- 3.50 (# 1278:25 Unique 2.22, 4.21 A)
&rst
ixpk= 1278, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 965, 966, 967,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 33 TRP HH2 45 LEU QD+ 5.50 (# 1279:25 Unique 3.08, 4.93 A)
&rst
ixpk= 1279, nxpk= 25, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 46 ALA QB 45 LEU QD+ 5.50 (# 1280:25 Unique 4.77, 7.36 A)
&rst
ixpk= 1280, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 766, 767, 768,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 47 GLU HN 45 LEU QD+ 5.50 (# 1281:25 Unique 4.65, 6.80 A)
&rst
ixpk= 1281, nxpk= 25, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 46 ALA HN 45 LEU QD+ 4.50 (# 1282:25 Unique 2.34, 4.64 A)
&rst
ixpk= 1282, nxpk= 25, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 3 GLN HE2+ 45 LEU QD+ 4.50 (# 1283:25 Unique 3.48, 5.65 A)
&rst
ixpk= 1283, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 52, 53,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 33 TRP HN 45 LEU QD+ 5.50 (# 1284:25 Unique 4.02, 5.60 A)
&rst
ixpk= 1284, nxpk= 25, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 0 AMB 25-3:1285 0 AMB 25-1:1285 5.50 (# 1285:25 Double Ambig)
&rst
ixpk= 1285, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 743, 40,
igr2= 752, 753, 754, 756, 757, 758, 752, 753, 754, 756,
757, 758,
&end
#
# 0 AMB 25-3:1287 0 AMB 25-1:1287 5.50 (# 1287:25 Double Ambig)
&rst
ixpk= 1287, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 764, 42,
igr2= 752, 753, 754, 756, 757, 758, 752, 753, 754, 756,
757, 758,
&end
#
# 5 ARG HA 45 LEU QD+ 4.50 (# 1288:25 Unique 4.18, 4.93 A)
&rst
ixpk= 1288, nxpk= 25, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 32 GLY HA+ 45 LEU QD+ 3.50 (# 1289:25 Unique 2.90, 5.48 A)
&rst
ixpk= 1289, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 533, 534,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 45 LEU HA 45 LEU QD+ 3.50 (# 1290:25 Unique 2.84, 4.13 A)
&rst
ixpk= 1290, nxpk= 25, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 0 AMB 25-3:1291 0 AMB 25-1:1291 3.50 (# 1291:25 Double Ambig)
&rst
ixpk= 1291, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 47, 48, 533, 534,
igr2= 752, 753, 754, 756, 757, 758, 752, 753, 754, 756,
757, 758,
&end
#
# 0 AMB 25-3:1292 0 AMB 25-1:1292 4.50 (# 1292:25 Double Ambig)
&rst
ixpk= 1292, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 716, 717, 716, 717,1281,1282,
igr2= 752, 753, 754, 756, 757, 758, 752, 753, 754, 756,
757, 758, 752, 753, 754, 756, 757, 758,
&end
#
# 0 AMB 25-3:1293 0 AMB 25-1:1293 4.50 (# 1293:25 Double Ambig)
&rst
ixpk= 1293, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 44,1281,1282,
igr2= 752, 753, 754, 756, 757, 758, 752, 753, 754, 756,
757, 758,
&end
#
# 0 AMB 25-3:1295 0 AMB 25-1:1295 4.50 (# 1295:25 Double Ambig)
&rst
ixpk= 1295, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 83, 728,
igr2= 752, 753, 754, 756, 757, 758, 752, 753, 754, 756,
757, 758,
&end
#
# 0 AMB 25-3:1296 0 AMB 25-1:1296 3.50 (# 1296:25 Double Ambig)
&rst
ixpk= 1296, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 47, 48, 82,
igr2= 752, 753, 754, 756, 757, 758, 752, 753, 754, 756,
757, 758,
&end
#
# 5 ARG HG- 45 LEU QD+ 4.50 (# 1297:25 Unique 2.67, 5.28 A)
&rst
ixpk= 1297, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 85, 86,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 5 ARG HG+ 45 LEU QD+ 5.50 (# 1298:25 Unique 2.67, 5.28 A)
&rst
ixpk= 1298, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 85, 86,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 0 AMB 25-3:1299 0 AMB 25-1:1299 4.50 (# 1299:25 Double Ambig)
&rst
ixpk= 1299, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 588, 589,1186,1187,1188,
igr2= 752, 753, 754, 756, 757, 758, 752, 753, 754, 756,
757, 758,
&end
#
# 45 LEU HG 45 LEU QD+ 2.80 (# 1300:25 Unique 2.34, 2.65 A)
&rst
ixpk= 1300, nxpk= 25, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 45 LEU HB+ 45 LEU QD+ 3.50 (# 1301:25 Unique 2.29, 3.32 A)
&rst
ixpk= 1301, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 747, 748,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 45 LEU HB- 45 LEU QD+ 3.50 (# 1302:25 Unique 2.29, 3.32 A)
&rst
ixpk= 1302, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 747, 748,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 33 TRP HZ2 45 LEU QD+ 5.50 (# 1303:25 Unique 2.61, 4.62 A)
&rst
ixpk= 1303, nxpk= 25, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 752, 753, 754, 756, 757, 758,
&end
#
# 0 AMB 25-3:1304 0 AMB 25-1:1304 5.50 (# 1304:25 Double Ambig)
&rst
ixpk= 1304, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 441, 442, 401,
igr2= 887, 888, 887, 888,
&end
#
# 56 PHE HN 55 SER HB+ 4.50 (# 1305:25 Unique 2.77, 3.39 A)
&rst
ixpk= 1305, nxpk= 25, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 887, 888,
&end
#
# 55 SER HN 55 SER HB+ 3.50 (# 1306:25 Unique 2.53, 3.06 A)
&rst
ixpk= 1306, nxpk= 25, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 887, 888,
&end
#
# 0 AMB 25-3:1308 0 AMB 25-1:1308 2.80 (# 1308:25 Double Ambig)
&rst
ixpk= 1308, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 885, 839,
igr2= 887, 888, 887, 888,
&end
#
# 0 AMB 25-3:1309 0 AMB 25-1:1309 5.50 (# 1309:25 Double Ambig)
&rst
ixpk= 1309, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 934, 935, 870,
igr2= 887, 888, 887, 888,
&end
#
# 10 GLY HA+ 69 VAL HA 5.50 (# 1310:25 Unique 2.28, 3.37 A)
&rst
ixpk= 1310, nxpk= 25, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 170, 171,
&end
#
# 69 VAL HB 69 VAL HA 3.50 (# 1311:25 Unique 2.25, 2.93 A)
&rst
ixpk= 1311, nxpk= 25, iat=1096,1094, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 PHE HN 55 SER HB- 4.50 (# 1313:25 Unique 2.77, 3.39 A)
&rst
ixpk= 1313, nxpk= 25, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 887, 888,
&end
#
# 55 SER HN 55 SER HB- 2.80 (# 1314:25 Unique 2.53, 3.06 A)
&rst
ixpk= 1314, nxpk= 25, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 887, 888,
&end
#
# 0 AMB 25-3:1316 55 SER HB- 2.80 (# 1316:25 Single Ambig)
&rst
ixpk= 1316, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 885, 839,
igr2= 887, 888,
&end
#
# 79 SER HA 79 SER HB2 3.50 (# 1318:25 Unique 2.59, 2.95 A)
&rst
ixpk= 1318, nxpk= 25, iat=1246,1248, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 LYS HA 68 LYS HG- 5.50 (# 1319:25 Unique 2.44, 2.95 A)
&rst
ixpk= 1319, nxpk= 25, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1077,1078,
&end
#
# 79 SER HN 80 LEU QD- 3.50 (# 1320:25 Unique 5.52, 8.03 A)
&rst
ixpk= 1320, nxpk= 25, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1264,1265,1266,1268,1269,1270,
&end
#
# 0 AMB 25-3:1321 21 VAL QG- 4.50 (# 1321:25 Single Ambig)
&rst
ixpk= 1321, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1366, 904, 908,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 0 AMB 25-3:1322 0 AMB 25-1:1322 4.50 (# 1322:25 Double Ambig)
&rst
ixpk= 1322, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 284,1291,1292,
igr2= 353, 354, 355, 357, 358, 359,1264,1265,1266,1268,
1269,1270,
&end
#
# 48 GLY HN 80 LEU QD- 5.50 (# 1323:25 Unique 6.71, 9.36 A)
&rst
ixpk= 1323, nxpk= 25, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1264,1265,1266,1268,1269,1270,
&end
#
# 80 LEU HN 80 LEU QD- 4.50 (# 1324:25 Unique 2.83, 5.17 A)
&rst
ixpk= 1324, nxpk= 25, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1264,1265,1266,1268,1269,1270,
&end
#
# 78 ARG HA 80 LEU QD- 5.50 (# 1331:25 Unique 4.67, 7.96 A)
&rst
ixpk= 1331, nxpk= 25, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1264,1265,1266,1268,1269,1270,
&end
#
# 2 LEU HA 80 LEU QD- 3.50 (# 1335:25 Unique 4.72, 8.07 A)
&rst
ixpk= 1335, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1264,1265,1266,1268,1269,1270,
&end
#
# 80 LEU HA 80 LEU QD- 3.50 (# 1336:25 Unique 2.06, 3.65 A)
&rst
ixpk= 1336, nxpk= 25, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1264,1265,1266,1268,1269,1270,
&end
#
# 1 MET HG- 80 LEU QD- 5.50 (# 1338:25 Unique 3.61, 7.13 A)
&rst
ixpk= 1338, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 11, 12,
igr2=1264,1265,1266,1268,1269,1270,
&end
#
# 1 MET HB+ 80 LEU QD- 4.50 (# 1339:25 Unique 2.28, 6.02 A)
&rst
ixpk= 1339, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 8, 9,
igr2=1264,1265,1266,1268,1269,1270,
&end
#
# 80 LEU QB 80 LEU QD- 2.80 (# 1340:25 Unique 2.42, 3.41 A)
&rst
ixpk= 1340, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1259,1260,
igr2=1264,1265,1266,1268,1269,1270,
&end
#
# 53 LEU HN 53 LEU QD+ 4.50 (# 1342:25 Unique 3.13, 4.48 A)
&rst
ixpk= 1342, nxpk= 25, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 56 PHE HN 53 LEU QD+ 5.50 (# 1344:25 Unique 4.74, 6.84 A)
&rst
ixpk= 1344, nxpk= 25, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 4 TYR HN 53 LEU QD+ 4.50 (# 1345:25 Unique 3.00, 4.72 A)
&rst
ixpk= 1345, nxpk= 25, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 48 GLY HN 53 LEU QD+ 4.50 (# 1346:25 Unique 2.41, 3.97 A)
&rst
ixpk= 1346, nxpk= 25, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 4 TYR QE 53 LEU QD+ 5.50 (# 1347:25 Unique 2.32, 5.51 A)
&rst
ixpk= 1347, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 67, 72,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 56 PHE QD 53 LEU QD+ 4.50 (# 1348:25 Unique 2.75, 6.88 A)
&rst
ixpk= 1348, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 902, 910,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 3 GLN HA 53 LEU QD+ 5.50 (# 1350:25 Unique 2.61, 4.44 A)
&rst
ixpk= 1350, nxpk= 25, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 53 LEU HA 53 LEU QD+ 4.50 (# 1351:25 Unique 2.23, 3.79 A)
&rst
ixpk= 1351, nxpk= 25, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 0 AMB 25-3:1352 0 AMB 25-1:1352 5.50 (# 1352:25 Double Ambig)
&rst
ixpk= 1352, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 899, 795, 796,
igr2= 856, 857, 858, 860, 861, 862, 856, 857, 858, 860,
861, 862,
&end
#
# 0 AMB 25-3:1353 0 AMB 25-1:1353 5.50 (# 1353:25 Double Ambig)
&rst
ixpk= 1353, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 61, 916,
igr2= 856, 857, 858, 860, 861, 862, 856, 857, 858, 860,
861, 862,
&end
#
# 4 TYR HB3 53 LEU QD+ 5.50 (# 1354:25 Unique 3.58, 5.39 A)
&rst
ixpk= 1354, nxpk= 25, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 53 LEU HB2 53 LEU QD+ 3.50 (# 1356:25 Unique 2.38, 3.53 A)
&rst
ixpk= 1356, nxpk= 25, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 0 AMB 25-3:1357 0 AMB 25-1:1357 2.80 (# 1357:25 Double Ambig)
&rst
ixpk= 1357, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 854, 30, 31, 32, 34, 35, 36, 30, 31, 32,
34, 35, 36, 766, 767, 768,
igr2= 856, 857, 858, 860, 861, 862, 856, 857, 858, 860,
861, 862, 856, 857, 858, 860, 861, 862, 856, 857,
858, 860, 861, 862,
&end
#
# 30 LEU HB3 53 LEU QD+ 5.50 (# 1358:25 Unique 4.01, 5.91 A)
&rst
ixpk= 1358, nxpk= 25, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 30 LEU QD- 53 LEU QD+ 2.80 (# 1359:25 Unique 2.35, 5.24 A)
&rst
ixpk= 1359, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 511, 512, 513, 515, 516, 517,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 30 LEU QD+ 53 LEU QD+ 3.50 (# 1361:25 Unique 2.35, 5.24 A)
&rst
ixpk= 1361, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 511, 512, 513, 515, 516, 517,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 57 VAL QG+ 53 LEU QD+ 5.50 (# 1362:25 Unique 2.47, 7.87 A)
&rst
ixpk= 1362, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 920, 921, 922, 924, 925, 926,
igr2= 856, 857, 858, 860, 861, 862,
&end
#
# 33 TRP HD1 35 LYS HG+ 4.50 (# 1363:25 Unique 3.14, 4.28 A)
&rst
ixpk= 1363, nxpk= 25, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 585, 586,
&end
#
# 0 AMB 25-3:1365 0 AMB 25-1:1365 2.80 (# 1365:25 Double Ambig)
&rst
ixpk= 1365, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 582, 621, 622,
igr2= 585, 586, 585, 586,
&end
#
# 35 LYS HD+ 35 LYS HG+ 3.50 (# 1366:25 Unique 2.34, 2.61 A)
&rst
ixpk= 1366, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 588, 589,
igr2= 585, 586,
&end
#
# 35 LYS HE- 35 LYS HG+ 5.50 (# 1369:25 Unique 2.24, 3.23 A)
&rst
ixpk= 1369, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 591, 592,
igr2= 585, 586,
&end
#
# 35 LYS HE+ 35 LYS HG- 4.50 (# 1370:25 Unique 2.24, 3.23 A)
&rst
ixpk= 1370, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 591, 592,
igr2= 585, 586,
&end
#
# 35 LYS HB3 35 LYS HG- 4.50 (# 1371:25 Unique 2.51, 2.79 A)
&rst
ixpk= 1371, nxpk= 25, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 585, 586,
&end
#
# 0 AMB 25-3:1372 0 AMB 25-1:1372 3.50 (# 1372:25 Double Ambig)
&rst
ixpk= 1372, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 582, 621, 622, 697,
igr2= 585, 586, 146, 147, 148, 150, 151, 152,
&end
#
# 34 VAL HN 34 VAL QG- 5.50 (# 1374:25 Unique 2.36, 4.05 A)
&rst
ixpk= 1374, nxpk= 25, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 35 LYS HN 34 VAL QG- 2.80 (# 1375:25 Unique 2.57, 4.07 A)
&rst
ixpk= 1375, nxpk= 25, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 25-3:1376 34 VAL QG- 5.50 (# 1376:25 Single Ambig)
&rst
ixpk= 1376, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 709, 600,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 25-3:1377 34 VAL QG- 4.50 (# 1377:25 Single Ambig)
&rst
ixpk= 1377, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1404, 347,1385,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 33 TRP HD1 34 VAL QG- 5.50 (# 1378:25 Unique 4.85, 5.92 A)
&rst
ixpk= 1378, nxpk= 25, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 22 GLN HE2- 34 VAL QG- 3.50 (# 1379:25 Unique 6.02, 8.76 A)
&rst
ixpk= 1379, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 375, 376,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 34 VAL HA 34 VAL QG- 2.80 (# 1380:25 Unique 2.38, 3.53 A)
&rst
ixpk= 1380, nxpk= 25, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 25-3:1381 34 VAL QG- 4.50 (# 1381:25 Single Ambig)
&rst
ixpk= 1381, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 726, 580,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 18 ARG HA 34 VAL QG- 4.50 (# 1382:25 Unique 2.31, 3.34 A)
&rst
ixpk= 1382, nxpk= 25, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 25-3:1383 34 VAL QG- 2.80 (# 1383:25 Single Ambig)
&rst
ixpk= 1383, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 286, 287, 566,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 21 VAL HB 34 VAL QG- 3.50 (# 1384:25 Unique 2.49, 3.87 A)
&rst
ixpk= 1384, nxpk= 25, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 88 ILE HG1- 34 VAL QG- 3.50 (# 1385:25 Unique 2.63, 4.91 A)
&rst
ixpk= 1385, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1395,1396,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 18 ARG QG 34 VAL QG- 3.50 (# 1386:25 Unique 2.17, 4.51 A)
&rst
ixpk= 1386, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 289, 290,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 25-3:1387 34 VAL QG- 2.80 (# 1387:25 Single Ambig)
&rst
ixpk= 1387, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 353, 354, 355, 357, 358, 359, 737, 738, 739,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 17 PHE QD 34 VAL QG- 5.50 (# 1388:25 Unique 3.18, 6.97 A)
&rst
ixpk= 1388, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 270, 278,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 25-3:1390 34 VAL QG- 3.50 (# 1390:25 Single Ambig)
&rst
ixpk= 1390, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 353, 354, 355, 357, 358, 359,1395,1396,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 8 VAL HN 8 VAL QG+ 4.50 (# 1394:25 Unique 2.61, 4.17 A)
&rst
ixpk= 1394, nxpk= 25, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 146, 147, 148, 150, 151, 152,
&end
#
# 0 AMB 25-3:1395 0 AMB 25-1:1395 4.50 (# 1395:25 Double Ambig)
&rst
ixpk= 1395, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1094, 201,
igr2= 146, 147, 148, 150, 151, 152, 146, 147, 148, 150,
151, 152,
&end
#
# 61 LYS HA 8 VAL QG+ 5.50 (# 1396:25 Unique 3.22, 4.51 A)
&rst
ixpk= 1396, nxpk= 25, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 146, 147, 148, 150, 151, 152,
&end
#
# 0 AMB 25-3:1398 0 AMB 25-1:1398 4.50 (# 1398:25 Double Ambig)
&rst
ixpk= 1398, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 697, 959,
igr2= 146, 147, 148, 150, 151, 152, 146, 147, 148, 150,
151, 152,
&end
#
# 72 ILE HB 8 VAL QG+ 3.50 (# 1399:25 Unique 2.40, 4.10 A)
&rst
ixpk= 1399, nxpk= 25, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 146, 147, 148, 150, 151, 152,
&end
#
# 72 ILE HG1+ 8 VAL QG+ 5.50 (# 1400:25 Unique 2.27, 4.68 A)
&rst
ixpk= 1400, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1144,1145,
igr2= 146, 147, 148, 150, 151, 152,
&end
#
# 60 VAL QG1 8 VAL QG+ 2.80 (# 1401:25 Unique 2.26, 4.09 A)
&rst
ixpk= 1401, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 961, 962, 963,
igr2= 146, 147, 148, 150, 151, 152,
&end
#
# 70 THR HN 8 VAL QG+ 5.50 (# 1402:25 Unique 4.20, 6.54 A)
&rst
ixpk= 1402, nxpk= 25, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 146, 147, 148, 150, 151, 152,
&end
#
# 9 ASP HN 8 VAL QG+ 3.50 (# 1403:25 Unique 2.48, 4.23 A)
&rst
ixpk= 1403, nxpk= 25, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 146, 147, 148, 150, 151, 152,
&end
#
# 71 ASP HN 8 VAL QG+ 5.50 (# 1404:25 Unique 4.12, 6.06 A)
&rst
ixpk= 1404, nxpk= 25, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 146, 147, 148, 150, 151, 152,
&end
#
# 17 PHE QD 8 VAL QG+ 4.50 (# 1405:25 Unique 4.60, 6.69 A)
&rst
ixpk= 1405, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 270, 278,
igr2= 146, 147, 148, 150, 151, 152,
&end
#
# 17 PHE HZ 8 VAL QG+ 3.50 (# 1406:25 Unique 2.27, 3.45 A)
&rst
ixpk= 1406, nxpk= 25, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 146, 147, 148, 150, 151, 152,
&end
#
# 0 AMB 25-3:1407 0 AMB 25-1:1407 3.50 (# 1407:25 Double Ambig)
&rst
ixpk= 1407, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1136, 158,
igr2= 146, 147, 148, 150, 151, 152, 146, 147, 148, 150,
151, 152,
&end
#
# 8 VAL HA 8 VAL QG+ 2.80 (# 1408:25 Unique 2.38, 3.17 A)
&rst
ixpk= 1408, nxpk= 25, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 146, 147, 148, 150, 151, 152,
&end
#
# 0 AMB 25-3:1409 0 AMB 25-1:1409 5.50 (# 1409:25 Double Ambig)
&rst
ixpk= 1409, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 161,1126,1127,
igr2= 146, 147, 148, 150, 151, 152, 146, 147, 148, 150,
151, 152,
&end
#
# 8 VAL HB 8 VAL QG+ 2.80 (# 1410:25 Unique 2.35, 2.66 A)
&rst
ixpk= 1410, nxpk= 25, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 146, 147, 148, 150, 151, 152,
&end
#
# 12 VAL QG- 8 VAL QG+ 3.50 (# 1411:25 Unique 2.14, 5.69 A)
&rst
ixpk= 1411, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 205, 206, 207, 209, 210, 211,
igr2= 146, 147, 148, 150, 151, 152,
&end
#
# 12 VAL QG+ 8 VAL QG+ 2.80 (# 1412:25 Unique 2.14, 5.69 A)
&rst
ixpk= 1412, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 205, 206, 207, 209, 210, 211,
igr2= 146, 147, 148, 150, 151, 152,
&end
#
# 90 TYR QD 89 VAL HA 5.50 (# 1413:25 Unique 6.13, 6.66 A)
&rst
ixpk= 1413, nxpk= 25, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1428,1437,
&end
#
# 89 VAL HN 89 VAL HA 4.50 (# 1414:25 Unique 2.94, 2.96 A)
&rst
ixpk= 1414, nxpk= 25, iat=1404,1406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ARG HN 18 ARG HA 4.50 (# 1416:25 Unique 2.82, 2.84 A)
&rst
ixpk= 1416, nxpk= 25, iat= 282, 284, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 VAL HB 89 VAL HA 4.50 (# 1419:25 Unique 3.04, 3.05 A)
&rst
ixpk= 1419, nxpk= 25, iat=1408,1406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 TYR HN 89 VAL HA 2.80 (# 1420:25 Unique 2.19, 2.25 A)
&rst
ixpk= 1420, nxpk= 25, iat=1420,1406, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 89 VAL QG+ 89 VAL HA 3.50 (# 1421:25 Unique 2.48, 3.17 A)
&rst
ixpk= 1421, nxpk= 25, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1410,1411,1412,1414,1415,1416,
&end
#
# 89 VAL QG- 89 VAL HA 3.50 (# 1422:25 Unique 2.48, 3.17 A)
&rst
ixpk= 1422, nxpk= 25, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1410,1411,1412,1414,1415,1416,
&end
#
# 21 VAL QG- 18 ARG HA 4.50 (# 1423:25 Unique 3.74, 4.77 A)
&rst
ixpk= 1423, nxpk= 25, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 353, 354, 355, 357, 358, 359,
&end
#
# 21 VAL HB 18 ARG HA 3.50 (# 1424:25 Unique 2.58, 2.81 A)
&rst
ixpk= 1424, nxpk= 25, iat= 351, 284, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 ARG HB- 18 ARG HA 3.50 (# 1425:25 Unique 2.38, 2.75 A)
&rst
ixpk= 1425, nxpk= 25, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 286, 287,
&end
#
# 34 VAL QG+ 18 ARG HA 4.50 (# 1426:25 Unique 2.31, 3.34 A)
&rst
ixpk= 1426, nxpk= 25, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 568, 569, 570, 572, 573, 574,
&end
#
# 34 VAL QG- 18 ARG HA 4.50 (# 1427:25 Unique 2.31, 3.34 A)
&rst
ixpk= 1427, nxpk= 25, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 568, 569, 570, 572, 573, 574,
&end
#
# 32 GLY HN 31 ALA QB 2.80 (# 1431:25 Unique 2.44, 3.44 A)
&rst
ixpk= 1431, nxpk= 25, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 525, 526, 527,
&end
#
# 85 ARG HN 31 ALA QB 3.50 (# 1432:25 Unique 2.25, 3.96 A)
&rst
ixpk= 1432, nxpk= 25, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 525, 526, 527,
&end
#
# 31 ALA HN 31 ALA QB 2.80 (# 1433:25 Unique 2.61, 3.31 A)
&rst
ixpk= 1433, nxpk= 25, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 525, 526, 527,
&end
#
# 83 HIS HN 31 ALA QB 4.50 (# 1434:25 Unique 3.07, 4.12 A)
&rst
ixpk= 1434, nxpk= 25, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 525, 526, 527,
&end
#
# 86 PHE HA 31 ALA QB 5.50 (# 1435:25 Unique 4.07, 5.05 A)
&rst
ixpk= 1435, nxpk= 25, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 525, 526, 527,
&end
#
# 85 ARG HA 31 ALA QB 4.50 (# 1437:25 Unique 2.67, 4.04 A)
&rst
ixpk= 1437, nxpk= 25, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 525, 526, 527,
&end
#
# 31 ALA HA 31 ALA QB 2.80 (# 1438:25 Unique 2.38, 2.66 A)
&rst
ixpk= 1438, nxpk= 25, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 525, 526, 527,
&end
#
# 83 HIS HA 31 ALA QB 5.50 (# 1439:25 Unique 2.12, 4.58 A)
&rst
ixpk= 1439, nxpk= 25, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 525, 526, 527,
&end
#
# 83 HIS HB2 31 ALA QB 4.50 (# 1440:25 Unique 2.35, 4.18 A)
&rst
ixpk= 1440, nxpk= 25, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 525, 526, 527,
&end
#
# 83 HIS HB3 31 ALA QB 4.50 (# 1442:25 Unique 2.18, 3.01 A)
&rst
ixpk= 1442, nxpk= 25, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 525, 526, 527,
&end
#
# 53 LEU HN 30 LEU QD- 4.50 (# 1449:25 Unique 4.23, 5.71 A)
&rst
ixpk= 1449, nxpk= 25, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 30 LEU HN 30 LEU QD- 3.50 (# 1450:25 Unique 2.65, 4.33 A)
&rst
ixpk= 1450, nxpk= 25, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 0 AMB 25-3:1451 30 LEU QD- 3.50 (# 1451:25 Single Ambig)
&rst
ixpk= 1451, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 795, 796, 849,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 48 GLY HN 30 LEU QD- 5.50 (# 1453:25 Unique 3.86, 5.72 A)
&rst
ixpk= 1453, nxpk= 25, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 0 AMB 25-3:1454 30 LEU QD- 4.50 (# 1454:25 Single Ambig)
&rst
ixpk= 1454, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 521, 480,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 30 LEU HA 30 LEU QD- 2.80 (# 1455:25 Unique 2.20, 3.78 A)
&rst
ixpk= 1455, nxpk= 25, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 48 GLY HA+ 30 LEU QD- 2.80 (# 1456:25 Unique 2.03, 4.15 A)
&rst
ixpk= 1456, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 789, 790,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 49 PRO HD- 30 LEU QD- 3.50 (# 1457:25 Unique 2.22, 4.65 A)
&rst
ixpk= 1457, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 795, 796,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 25 ALA HA 30 LEU QD- 5.50 (# 1458:25 Unique 2.09, 4.20 A)
&rst
ixpk= 1458, nxpk= 25, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 49 PRO HG+ 30 LEU QD- 5.50 (# 1459:25 Unique 3.51, 6.06 A)
&rst
ixpk= 1459, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 798, 799,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 28 ARG HB3 30 LEU QD- 3.50 (# 1460:25 Unique 2.64, 3.84 A)
&rst
ixpk= 1460, nxpk= 25, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 52 ALA QB 30 LEU QD- 2.80 (# 1461:25 Unique 2.79, 5.25 A)
&rst
ixpk= 1461, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 841, 842, 843,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 30 LEU HG 30 LEU QD- 2.80 (# 1462:25 Unique 2.36, 2.66 A)
&rst
ixpk= 1462, nxpk= 25, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 53 LEU HG 30 LEU QD- 4.50 (# 1463:25 Unique 3.99, 5.30 A)
&rst
ixpk= 1463, nxpk= 25, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 53 LEU QD+ 30 LEU QD- 3.50 (# 1464:25 Unique 2.35, 5.24 A)
&rst
ixpk= 1464, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 856, 857, 858, 860, 861, 862,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 56 PHE QD 30 LEU QD- 5.50 (# 1466:25 Unique 2.15, 5.61 A)
&rst
ixpk= 1466, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 902, 910,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 53 LEU HN 50 GLU HA 4.50 (# 1468:25 Unique 3.19, 3.34 A)
&rst
ixpk= 1468, nxpk= 25, iat= 847, 810, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU HB2 50 GLU HA 4.50 (# 1469:25 Unique 2.27, 2.53 A)
&rst
ixpk= 1469, nxpk= 25, iat= 851, 810, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 TYR HN 46 ALA QB 5.50 (# 1470:25 Unique 3.59, 4.65 A)
&rst
ixpk= 1470, nxpk= 25, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 766, 767, 768,
&end
#
# 47 GLU HN 46 ALA QB 4.50 (# 1471:25 Unique 2.52, 3.51 A)
&rst
ixpk= 1471, nxpk= 25, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 766, 767, 768,
&end
#
# 44 ILE HA 21 VAL QG+ 5.50 (# 1473:25 Unique 3.96, 6.00 A)
&rst
ixpk= 1473, nxpk= 25, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 53 LEU QD- 30 LEU QD- 4.50 (# 1474:25 Unique 2.35, 5.24 A)
&rst
ixpk= 1474, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 856, 857, 858, 860, 861, 862,
igr2= 511, 512, 513, 515, 516, 517,
&end
#
# 50 GLU HN 50 GLU HA 4.50 (# 1475:25 Unique 2.74, 2.76 A)
&rst
ixpk= 1475, nxpk= 25, iat= 808, 810, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 GLU QB 50 GLU HA 2.80 (# 1476:25 Unique 2.41, 2.75 A)
&rst
ixpk= 1476, nxpk= 25, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 812, 813,
&end
#
# 0 AMB 25-3:1477 50 GLU HA 4.50 (# 1477:25 Single Ambig)
&rst
ixpk= 1477, nxpk= 25, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 30, 31, 32, 34, 35, 36, 30, 31, 32, 34,
35, 36,
&end
#
# 50 GLU QG 50 GLU HA 3.50 (# 1479:25 Unique 2.58, 2.94 A)
&rst
ixpk= 1479, nxpk= 25, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 815, 816,
&end
#
# 53 LEU QD- 50 GLU HA 3.50 (# 1480:25 Unique 2.27, 4.50 A)
&rst
ixpk= 1480, nxpk= 25, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 60 VAL QG1 42 VAL QG+ 5.50 (# 1481:25 Unique 5.11, 7.55 A)
&rst
ixpk= 1481, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 961, 962, 963,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 46 ALA HN 46 ALA QB 2.80 (# 1483:25 Unique 2.60, 3.26 A)
&rst
ixpk= 1483, nxpk= 25, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 766, 767, 768,
&end
#
# 46 ALA HA 46 ALA QB 2.80 (# 1484:25 Unique 2.35, 2.66 A)
&rst
ixpk= 1484, nxpk= 25, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 766, 767, 768,
&end
#
# 0 AMB 25-3:1485 46 ALA QB 5.50 (# 1485:25 Single Ambig)
&rst
ixpk= 1485, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 728, 106,
igr2= 766, 767, 768,
&end
#
# 53 LEU QD+ 46 ALA QB 4.50 (# 1487:25 Unique 2.55, 4.90 A)
&rst
ixpk= 1487, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 856, 857, 858, 860, 861, 862,
igr2= 766, 767, 768,
&end
#
# 30 LEU QD+ 46 ALA QB 3.50 (# 1488:25 Unique 2.17, 5.25 A)
&rst
ixpk= 1488, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 511, 512, 513, 515, 516, 517,
igr2= 766, 767, 768,
&end
#
# 0 AMB 25-3:1489 46 ALA QB 3.50 (# 1489:25 Single Ambig)
&rst
ixpk= 1489, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 904, 908, 65, 74,
igr2= 766, 767, 768,
&end
#
# 30 LEU QD- 46 ALA QB 3.50 (# 1492:25 Unique 2.17, 5.25 A)
&rst
ixpk= 1492, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 511, 512, 513, 515, 516, 517,
igr2= 766, 767, 768,
&end
#
# 21 VAL HN 21 VAL QG+ 3.50 (# 1495:25 Unique 2.22, 3.83 A)
&rst
ixpk= 1495, nxpk= 25, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 22 GLN HN 21 VAL QG+ 3.50 (# 1496:25 Unique 3.49, 4.62 A)
&rst
ixpk= 1496, nxpk= 25, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 56 PHE QD 21 VAL QG+ 4.50 (# 1497:25 Unique 4.45, 7.81 A)
&rst
ixpk= 1497, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 902, 910,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 34 VAL HA 21 VAL QG+ 4.50 (# 1498:25 Unique 4.20, 6.13 A)
&rst
ixpk= 1498, nxpk= 25, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 0 AMB 25-3:1499 0 AMB 25-1:1499 5.50 (# 1499:25 Double Ambig)
&rst
ixpk= 1499, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1009,1010, 365,
igr2= 353, 354, 355, 357, 358, 359, 353, 354, 355, 357,
358, 359,
&end
#
# 21 VAL HA 21 VAL QG+ 3.50 (# 1500:25 Unique 2.31, 3.15 A)
&rst
ixpk= 1500, nxpk= 25, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 34 VAL HB 21 VAL QG+ 2.80 (# 1501:25 Unique 2.31, 4.21 A)
&rst
ixpk= 1501, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 21 VAL HB 21 VAL QG+ 2.80 (# 1502:25 Unique 2.41, 2.67 A)
&rst
ixpk= 1502, nxpk= 25, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 44 ILE HB 21 VAL QG+ 4.50 (# 1503:25 Unique 4.38, 5.76 A)
&rst
ixpk= 1503, nxpk= 25, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 24 GLU HB2 21 VAL QG+ 4.50 (# 1504:25 Unique 3.92, 5.21 A)
&rst
ixpk= 1504, nxpk= 25, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 34 VAL QG+ 21 VAL QG+ 2.80 (# 1505:25 Unique 2.53, 5.09 A)
&rst
ixpk= 1505, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 568, 569, 570, 572, 573, 574,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 0 AMB 25-3:1506 0 AMB 25-1:1506 2.80 (# 1506:25 Double Ambig)
&rst
ixpk= 1506, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 734, 735, 730, 731, 732, 568, 569, 570, 572, 573,
574,
igr2= 353, 354, 355, 357, 358, 359, 353, 354, 355, 357,
358, 359, 353, 354, 355, 357, 358, 359,
&end
#
# 60 VAL QG2 21 VAL QG+ 3.50 (# 1508:25 Unique 2.22, 4.21 A)
&rst
ixpk= 1508, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 965, 966, 967,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 22 GLN HB3 21 VAL QG+ 5.50 (# 1510:25 Unique 5.26, 6.67 A)
&rst
ixpk= 1510, nxpk= 25, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 353, 354, 355, 357, 358, 359,
&end
#
# 42 VAL HN 42 VAL QG+ 4.50 (# 1512:25 Unique 2.91, 4.21 A)
&rst
ixpk= 1512, nxpk= 25, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 17 PHE QD 42 VAL QG+ 3.50 (# 1513:25 Unique 2.29, 5.12 A)
&rst
ixpk= 1513, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 270, 278,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 17 PHE HZ 42 VAL QG+ 5.50 (# 1514:25 Unique 4.44, 5.66 A)
&rst
ixpk= 1514, nxpk= 25, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 13 GLN HE2- 42 VAL QG+ 5.50 (# 1515:25 Unique 1.89, 5.58 A)
&rst
ixpk= 1515, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 227, 228,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 36 ASN HA 42 VAL QG+ 4.50 (# 1516:25 Unique 2.66, 4.24 A)
&rst
ixpk= 1516, nxpk= 25, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 0 AMB 25-3:1517 0 AMB 25-1:1517 5.50 (# 1517:25 Double Ambig)
&rst
ixpk= 1517, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 726, 580,
igr2= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
704, 705,
&end
#
# 12 VAL HA 42 VAL QG+ 5.50 (# 1519:25 Unique 4.41, 6.23 A)
&rst
ixpk= 1519, nxpk= 25, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 13 GLN HG+ 42 VAL QG+ 3.50 (# 1520:25 Unique 2.47, 5.13 A)
&rst
ixpk= 1520, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 222, 223,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 13 GLN HG- 42 VAL QG+ 3.50 (# 1521:25 Unique 2.47, 5.13 A)
&rst
ixpk= 1521, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 222, 223,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 8 VAL HB 42 VAL QG+ 4.50 (# 1522:25 Unique 3.99, 4.75 A)
&rst
ixpk= 1522, nxpk= 25, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 0 AMB 25-3:1523 0 AMB 25-1:1523 4.50 (# 1523:25 Double Ambig)
&rst
ixpk= 1523, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 621, 622, 582,
igr2= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
704, 705,
&end
#
# 12 VAL QG- 42 VAL QG+ 2.80 (# 1525:25 Unique 2.24, 5.86 A)
&rst
ixpk= 1525, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 205, 206, 207, 209, 210, 211,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 12 VAL QG+ 42 VAL QG+ 4.50 (# 1526:25 Unique 2.24, 5.86 A)
&rst
ixpk= 1526, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 205, 206, 207, 209, 210, 211,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 37 ARG HN 42 VAL QG+ 4.50 (# 1527:25 Unique 4.22, 5.61 A)
&rst
ixpk= 1527, nxpk= 25, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 13 GLN HE2+ 42 VAL QG+ 4.50 (# 1528:25 Unique 1.89, 5.58 A)
&rst
ixpk= 1528, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 227, 228,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 43 GLU HN 42 VAL QG+ 4.50 (# 1530:25 Unique 2.54, 4.00 A)
&rst
ixpk= 1530, nxpk= 25, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 67 SER HA 12 VAL HA 4.50 (# 1532:25 Unique 3.87, 4.02 A)
&rst
ixpk= 1532, nxpk= 25, iat=1061, 201, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1533 12 VAL HA 3.50 (# 1533:25 Single Ambig)
&rst
ixpk= 1533, nxpk= 25, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 205, 206, 207, 209, 210, 211, 245, 246, 247, 249,
250, 251,
&end
#
# 12 VAL QG+ 12 VAL HA 3.50 (# 1534:25 Unique 2.41, 3.53 A)
&rst
ixpk= 1534, nxpk= 25, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 205, 206, 207, 209, 210, 211,
&end
#
# 13 GLN HN 12 VAL HA 4.50 (# 1535:25 Unique 2.99, 3.16 A)
&rst
ixpk= 1535, nxpk= 25, iat= 215, 201, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 VAL HB 12 VAL HA 3.50 (# 1536:25 Unique 2.45, 2.47 A)
&rst
ixpk= 1536, nxpk= 25, iat= 203, 201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:1537 0 AMB 25-1:1537 3.50 (# 1537:25 Double Ambig)
&rst
ixpk= 1537, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 945, 199,
igr2= 896, 201,
&end
#
# 57 VAL HN 56 PHE HA 5.50 (# 1539:25 Unique 3.59, 3.64 A)
&rst
ixpk= 1539, nxpk= 25, iat= 914, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 PHE HN 56 PHE HA 3.50 (# 1540:25 Unique 2.83, 2.85 A)
&rst
ixpk= 1540, nxpk= 25, iat= 894, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 VAL HN 60 VAL QG1 5.50 (# 1542:25 Unique 4.30, 4.49 A)
&rst
ixpk= 1542, nxpk= 25, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 961, 962, 963,
&end
#
# 61 LYS HN 60 VAL QG1 3.50 (# 1543:25 Unique 3.51, 4.33 A)
&rst
ixpk= 1543, nxpk= 25, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 961, 962, 963,
&end
#
# 17 PHE QD 60 VAL QG1 5.50 (# 1544:25 Unique 5.42, 7.14 A)
&rst
ixpk= 1544, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 270, 278,
igr2= 961, 962, 963,
&end
#
# 17 PHE HZ 60 VAL QG1 3.50 (# 1545:25 Unique 2.41, 3.39 A)
&rst
ixpk= 1545, nxpk= 25, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 961, 962, 963,
&end
#
# 0 AMB 25-3:1546 60 VAL QG1 5.50 (# 1546:25 Single Ambig)
&rst
ixpk= 1546, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 67, 72, 904, 908,
igr2= 961, 962, 963,
&end
#
# 61 LYS HA 60 VAL QG1 4.50 (# 1547:25 Unique 3.56, 4.61 A)
&rst
ixpk= 1547, nxpk= 25, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 961, 962, 963,
&end
#
# 60 VAL HA 60 VAL QG1 3.50 (# 1548:25 Unique 2.77, 3.37 A)
&rst
ixpk= 1548, nxpk= 25, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 961, 962, 963,
&end
#
# 57 VAL HA 60 VAL QG1 5.50 (# 1549:25 Unique 3.87, 4.45 A)
&rst
ixpk= 1549, nxpk= 25, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 961, 962, 963,
&end
#
# 8 VAL HB 60 VAL QG1 5.50 (# 1550:25 Unique 4.54, 5.04 A)
&rst
ixpk= 1550, nxpk= 25, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 961, 962, 963,
&end
#
# 60 VAL HB 60 VAL QG1 2.80 (# 1551:25 Unique 2.44, 2.65 A)
&rst
ixpk= 1551, nxpk= 25, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 961, 962, 963,
&end
#
# 0 AMB 25-3:1552 60 VAL QG1 3.50 (# 1552:25 Single Ambig)
&rst
ixpk= 1552, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 734, 735, 730, 731, 732,
igr2= 961, 962, 963,
&end
#
# 12 VAL HN 12 VAL QG+ 5.50 (# 1554:25 Unique 2.32, 3.44 A)
&rst
ixpk= 1554, nxpk= 25, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 17 PHE HZ 60 VAL QG2 4.50 (# 1555:25 Unique 4.05, 5.12 A)
&rst
ixpk= 1555, nxpk= 25, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 965, 966, 967,
&end
#
# 21 VAL QG+ 60 VAL QG2 2.80 (# 1556:25 Unique 2.22, 4.21 A)
&rst
ixpk= 1556, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 353, 354, 355, 357, 358, 359,
igr2= 965, 966, 967,
&end
#
# 0 AMB 25-3:1558 60 VAL QG2 5.50 (# 1558:25 Single Ambig)
&rst
ixpk= 1558, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 347, 894, 743,
igr2= 965, 966, 967,
&end
#
# 60 VAL HN 60 VAL QG2 2.80 (# 1559:25 Unique 2.40, 3.27 A)
&rst
ixpk= 1559, nxpk= 25, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 965, 966, 967,
&end
#
# 56 PHE QD 60 VAL QG2 4.50 (# 1561:25 Unique 2.63, 5.72 A)
&rst
ixpk= 1561, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 902, 910,
igr2= 965, 966, 967,
&end
#
# 61 LYS HA 60 VAL QG2 5.50 (# 1562:25 Unique 6.41, 6.64 A)
&rst
ixpk= 1562, nxpk= 25, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 965, 966, 967,
&end
#
# 60 VAL HA 60 VAL QG2 2.80 (# 1563:25 Unique 2.46, 3.01 A)
&rst
ixpk= 1563, nxpk= 25, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 965, 966, 967,
&end
#
# 57 VAL HA 60 VAL QG2 4.50 (# 1564:25 Unique 3.05, 3.86 A)
&rst
ixpk= 1564, nxpk= 25, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 965, 966, 967,
&end
#
# 21 VAL HA 60 VAL QG2 4.50 (# 1565:25 Unique 3.47, 4.49 A)
&rst
ixpk= 1565, nxpk= 25, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 965, 966, 967,
&end
#
# 60 VAL HB 60 VAL QG2 2.80 (# 1566:25 Unique 2.36, 2.68 A)
&rst
ixpk= 1566, nxpk= 25, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 965, 966, 967,
&end
#
# 59 ALA QB 60 VAL QG2 3.50 (# 1567:25 Unique 3.29, 5.49 A)
&rst
ixpk= 1567, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 949, 950, 951,
igr2= 965, 966, 967,
&end
#
# 0 AMB 25-3:1568 60 VAL QG2 5.50 (# 1568:25 Single Ambig)
&rst
ixpk= 1568, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 920, 921, 922, 924, 925, 926, 568, 569, 570, 572,
573, 574,
igr2= 965, 966, 967,
&end
#
# 0 AMB 25-3:1569 60 VAL QG2 3.50 (# 1569:25 Single Ambig)
&rst
ixpk= 1569, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 734, 735, 730, 731, 732,
igr2= 965, 966, 967,
&end
#
# 68 LYS HN 12 VAL HA 5.50 (# 1573:25 Unique 3.91, 4.02 A)
&rst
ixpk= 1573, nxpk= 25, iat=1070, 201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 PHE QD 56 PHE HA 4.50 (# 1577:25 Unique 2.15, 3.44 A)
&rst
ixpk= 1577, nxpk= 25, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 902, 910,
&end
#
# 56 PHE HB3 56 PHE HA 4.50 (# 1578:25 Unique 2.50, 2.83 A)
&rst
ixpk= 1578, nxpk= 25, iat= 899, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 PHE HB2 56 PHE HA 3.50 (# 1579:25 Unique 2.46, 2.72 A)
&rst
ixpk= 1579, nxpk= 25, iat= 898, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 ALA QB 56 PHE HA 3.50 (# 1580:25 Unique 2.48, 3.32 A)
&rst
ixpk= 1580, nxpk= 25, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 949, 950, 951,
&end
#
# 68 LYS HN 12 VAL QG+ 4.50 (# 1581:25 Unique 3.50, 5.45 A)
&rst
ixpk= 1581, nxpk= 25, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 13 GLN HN 12 VAL QG+ 5.50 (# 1582:25 Unique 3.67, 4.91 A)
&rst
ixpk= 1582, nxpk= 25, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 67 SER QB 12 VAL QG+ 3.50 (# 1583:25 Unique 2.59, 5.86 A)
&rst
ixpk= 1583, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1063,1064,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 10 GLY HA- 12 VAL QG+ 5.50 (# 1584:25 Unique 2.51, 4.77 A)
&rst
ixpk= 1584, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 170, 171,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 8 VAL HB 12 VAL QG+ 4.50 (# 1585:25 Unique 3.05, 4.42 A)
&rst
ixpk= 1585, nxpk= 25, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 70 THR HN 12 VAL QG+ 5.50 (# 1587:25 Unique 4.03, 5.37 A)
&rst
ixpk= 1587, nxpk= 25, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 11 ARG HN 12 VAL QG+ 3.50 (# 1588:25 Unique 3.17, 4.99 A)
&rst
ixpk= 1588, nxpk= 25, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 0 AMB 25-3:1589 0 AMB 25-1:1589 4.50 (# 1589:25 Double Ambig)
&rst
ixpk= 1589, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 168, 156,
igr2= 205, 206, 207, 209, 210, 211, 205, 206, 207, 209,
210, 211,
&end
#
# 0 AMB 25-3:1590 0 AMB 25-1:1590 3.50 (# 1590:25 Double Ambig)
&rst
ixpk= 1590, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 227, 228, 199,
igr2= 205, 206, 207, 209, 210, 211, 205, 206, 207, 209,
210, 211,
&end
#
# 17 PHE QD 12 VAL QG+ 3.50 (# 1591:25 Unique 2.62, 5.70 A)
&rst
ixpk= 1591, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 270, 278,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 9 ASP HA 12 VAL QG+ 5.50 (# 1592:25 Unique 2.60, 4.15 A)
&rst
ixpk= 1592, nxpk= 25, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 10 GLY HA+ 12 VAL QG+ 5.50 (# 1593:25 Unique 2.51, 4.77 A)
&rst
ixpk= 1593, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 170, 171,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 0 AMB 25-3:1594 0 AMB 25-1:1594 3.50 (# 1594:25 Double Ambig)
&rst
ixpk= 1594, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 177,1061,
igr2= 205, 206, 207, 209, 210, 211, 205, 206, 207, 209,
210, 211,
&end
#
# 0 AMB 25-3:1595 0 AMB 25-1:1595 2.80 (# 1595:25 Double Ambig)
&rst
ixpk= 1595, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 201,1094,
igr2= 205, 206, 207, 209, 210, 211, 205, 206, 207, 209,
210, 211,
&end
#
# 12 VAL HB 12 VAL QG+ 2.80 (# 1596:25 Unique 2.39, 2.66 A)
&rst
ixpk= 1596, nxpk= 25, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 68 LYS HG+ 12 VAL QG+ 5.50 (# 1597:25 Unique 6.01, 8.71 A)
&rst
ixpk= 1597, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1077,1078,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 42 VAL QG+ 12 VAL QG+ 3.50 (# 1598:25 Unique 2.24, 5.86 A)
&rst
ixpk= 1598, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 699, 700, 701, 703, 704, 705,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 8 VAL QG+ 12 VAL QG+ 2.80 (# 1599:25 Unique 2.14, 5.69 A)
&rst
ixpk= 1599, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 146, 147, 148, 150, 151, 152,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 0 AMB 25-3:1600 0 AMB 25-1:1600 2.80 (# 1600:25 Double Ambig)
&rst
ixpk= 1600, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
1103,1104,1098,1099,1100,1102,1103,1104,
igr2= 205, 206, 207, 209, 210, 211, 205, 206, 207, 209,
210, 211, 205, 206, 207, 209, 210, 211,
&end
#
# 0 AMB 25-3:1602 0 AMB 25-1:1602 4.50 (# 1602:25 Double Ambig)
&rst
ixpk= 1602, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 274, 682,
igr2= 965, 966, 967, 205, 206, 207, 209, 210, 211, 205,
206, 207, 209, 210, 211,
&end
#
# 11 ARG HB+ 12 VAL QG+ 5.50 (# 1603:25 Unique 4.61, 6.56 A)
&rst
ixpk= 1603, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 179, 180,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 21 VAL HB 60 VAL QG2 5.50 (# 1606:25 Unique 4.60, 5.73 A)
&rst
ixpk= 1606, nxpk= 25, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 965, 966, 967,
&end
#
# 70 THR HN 70 THR QG2 2.80 (# 1607:25 Unique 2.92, 3.71 A)
&rst
ixpk= 1607, nxpk= 25, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1114,1115,1116,
&end
#
# 11 ARG HN 70 THR QG2 5.50 (# 1608:25 Unique 3.09, 4.18 A)
&rst
ixpk= 1608, nxpk= 25, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1114,1115,1116,
&end
#
# 70 THR HA 70 THR QG2 2.80 (# 1609:25 Unique 2.44, 3.10 A)
&rst
ixpk= 1609, nxpk= 25, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1114,1115,1116,
&end
#
# 70 THR HB 70 THR QG2 2.80 (# 1610:25 Unique 2.43, 2.67 A)
&rst
ixpk= 1610, nxpk= 25, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1114,1115,1116,
&end
#
# 69 VAL HA 70 THR QG2 4.50 (# 1611:25 Unique 3.71, 4.81 A)
&rst
ixpk= 1611, nxpk= 25, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1114,1115,1116,
&end
#
# 10 GLY HA- 70 THR QG2 3.50 (# 1612:25 Unique 2.49, 3.56 A)
&rst
ixpk= 1612, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 170, 171,
igr2=1114,1115,1116,
&end
#
# 68 LYS QE 70 THR QG2 4.50 (# 1613:25 Unique 2.88, 5.22 A)
&rst
ixpk= 1613, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1083,1084,
igr2=1114,1115,1116,
&end
#
# 18 ARG HA 42 VAL QG- 5.50 (# 1615:25 Unique 3.84, 5.40 A)
&rst
ixpk= 1615, nxpk= 25, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 71 ASP HB+ 70 THR QG2 5.50 (# 1616:25 Unique 6.52, 6.90 A)
&rst
ixpk= 1616, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1126,1127,
igr2=1114,1115,1116,
&end
#
# 0 AMB 25-3:1617 42 VAL QG- 4.50 (# 1617:25 Single Ambig)
&rst
ixpk= 1617, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 585, 586, 676, 677,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 0 AMB 25-3:1618 0 AMB 25-1:1618 5.50 (# 1618:25 Double Ambig)
&rst
ixpk= 1618, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 609, 610,1122, 199,
igr2= 699, 700, 701, 703, 704, 705,1114,1115,1116,
&end
#
# 10 GLY HA+ 70 THR QG2 3.50 (# 1619:25 Unique 2.49, 3.56 A)
&rst
ixpk= 1619, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 170, 171,
igr2=1114,1115,1116,
&end
#
# 6 ILE HA 74 VAL QG- 3.50 (# 1620:25 Unique 3.71, 5.27 A)
&rst
ixpk= 1620, nxpk= 25, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 77 SER HB+ 75 THR QG2 5.50 (# 1622:25 Unique 5.51, 7.63 A)
&rst
ixpk= 1622, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1213,1214,
igr2=1186,1187,1188,
&end
#
# 5 ARG HN 75 THR QG2 4.50 (# 1623:25 Unique 4.67, 5.48 A)
&rst
ixpk= 1623, nxpk= 25, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1186,1187,1188,
&end
#
# 76 GLU HA 75 THR QG2 5.50 (# 1624:25 Unique 4.34, 5.57 A)
&rst
ixpk= 1624, nxpk= 25, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1186,1187,1188,
&end
#
# 75 THR HA 75 THR QG2 2.80 (# 1625:25 Unique 2.43, 2.99 A)
&rst
ixpk= 1625, nxpk= 25, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1186,1187,1188,
&end
#
# 75 THR HB 75 THR QG2 2.80 (# 1626:25 Unique 2.44, 2.66 A)
&rst
ixpk= 1626, nxpk= 25, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1186,1187,1188,
&end
#
# 0 AMB 25-3:1627 42 VAL QG- 3.50 (# 1627:25 Single Ambig)
&rst
ixpk= 1627, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 578, 724,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 43 GLU HN 42 VAL QG- 3.50 (# 1628:25 Unique 2.54, 4.00 A)
&rst
ixpk= 1628, nxpk= 25, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 17 PHE QD 42 VAL QG- 3.50 (# 1629:25 Unique 2.29, 5.12 A)
&rst
ixpk= 1629, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 270, 278,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 0 AMB 25-3:1630 42 VAL QG- 5.50 (# 1630:25 Single Ambig)
&rst
ixpk= 1630, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 274, 682,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 0 AMB 25-3:1631 42 VAL QG- 4.50 (# 1631:25 Single Ambig)
&rst
ixpk= 1631, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 566, 286, 287,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 8 VAL HB 42 VAL QG- 3.50 (# 1632:25 Unique 3.99, 4.75 A)
&rst
ixpk= 1632, nxpk= 25, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 0 AMB 25-3:1633 0 AMB 25-1:1633 4.50 (# 1633:25 Double Ambig)
&rst
ixpk= 1633, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1=1074,1075, 179, 180, 621, 622,
igr2=1114,1115,1116, 699, 700, 701, 703, 704, 705,
&end
#
# 44 ILE QD1 42 VAL QG- 5.50 (# 1634:25 Unique 2.36, 5.20 A)
&rst
ixpk= 1634, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 737, 738, 739,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 42 VAL HN 42 VAL QG- 5.50 (# 1636:25 Unique 2.91, 4.21 A)
&rst
ixpk= 1636, nxpk= 25, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 34 VAL HA 42 VAL QG- 5.50 (# 1637:25 Unique 4.20, 6.18 A)
&rst
ixpk= 1637, nxpk= 25, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 13 GLN HG+ 42 VAL QG- 4.50 (# 1639:25 Unique 2.47, 5.13 A)
&rst
ixpk= 1639, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 222, 223,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 0 AMB 25-3:1640 42 VAL QG- 5.50 (# 1640:25 Single Ambig)
&rst
ixpk= 1640, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 351, 713, 714,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 21 VAL QG- 42 VAL QG- 4.50 (# 1641:25 Unique 2.99, 6.93 A)
&rst
ixpk= 1641, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 353, 354, 355, 357, 358, 359,
igr2= 699, 700, 701, 703, 704, 705,
&end
#
# 57 VAL HN 57 VAL QG- 3.50 (# 1643:25 Unique 2.19, 3.85 A)
&rst
ixpk= 1643, nxpk= 25, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 0 AMB 25-3:1644 0 AMB 25-1:1644 5.50 (# 1644:25 Double Ambig)
&rst
ixpk= 1644, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 873, 874,1126,1127,
igr2= 920, 921, 922, 924, 925, 926,1098,1099,1100,1102,
1103,1104, 146, 147, 148, 150, 151, 152,
&end
#
# 8 VAL HN 8 VAL QG- 2.80 (# 1645:25 Unique 2.61, 4.17 A)
&rst
ixpk= 1645, nxpk= 25, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 146, 147, 148, 150, 151, 152,
&end
#
# 9 ASP HN 0 AMB 25-1:1646 4.50 (# 1646:25 Single Ambig)
&rst
ixpk= 1646, nxpk= 25, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
1103,1104,
&end
#
# 0 AMB 25-3:1647 0 AMB 25-1:1647 3.50 (# 1647:25 Double Ambig)
&rst
ixpk= 1647, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1134, 955,
igr2=1098,1099,1100,1102,1103,1104, 920, 921, 922, 924,
925, 926, 146, 147, 148, 150, 151, 152,
&end
#
# 61 LYS HN 0 AMB 25-1:1648 3.50 (# 1648:25 Single Ambig)
&rst
ixpk= 1648, nxpk= 25, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 920, 921, 922, 924, 925, 926,1098,1099,1100,1102,
1103,1104, 146, 147, 148, 150, 151, 152,
&end
#
# 4 TYR QD 57 VAL QG- 4.50 (# 1649:25 Unique 2.42, 5.58 A)
&rst
ixpk= 1649, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 65, 74,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 9 ASP HA 0 AMB 25-1:1651 4.50 (# 1651:25 Single Ambig)
&rst
ixpk= 1651, nxpk= 25, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
1103,1104,
&end
#
# 0 AMB 25-3:1652 0 AMB 25-1:1652 4.50 (# 1652:25 Double Ambig)
&rst
ixpk= 1652, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 170, 171, 170, 171,
igr2=1098,1099,1100,1102,1103,1104, 146, 147, 148, 150,
151, 152,
&end
#
# 57 VAL HA 57 VAL QG- 2.80 (# 1653:25 Unique 2.38, 3.15 A)
&rst
ixpk= 1653, nxpk= 25, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 0 AMB 25-3:1654 0 AMB 25-1:1654 5.50 (# 1654:25 Double Ambig)
&rst
ixpk= 1654, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 898, 679, 680,
igr2= 920, 921, 922, 924, 925, 926, 146, 147, 148, 150,
151, 152,
&end
#
# 62 ASN QB 0 AMB 25-1:1655 4.50 (# 1655:25 Single Ambig)
&rst
ixpk= 1655, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 997, 998,
igr2=1098,1099,1100,1102,1103,1104, 146, 147, 148, 150,
151, 152,
&end
#
# 57 VAL HB 57 VAL QG- 2.80 (# 1656:25 Unique 2.32, 2.67 A)
&rst
ixpk= 1656, nxpk= 25, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 0 AMB 25-3:1657 0 AMB 25-1:1657 2.80 (# 1657:25 Double Ambig)
&rst
ixpk= 1657, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 975, 976, 697, 959, 975, 976,1168,
igr2=1098,1099,1100,1102,1103,1104, 146, 147, 148, 150,
151, 152, 920, 921, 922, 924, 925, 926,
&end
#
# 72 ILE HB 0 AMB 25-1:1658 2.80 (# 1658:25 Single Ambig)
&rst
ixpk= 1658, nxpk= 25, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
1103,1104,
&end
#
# 0 AMB 25-3:1659 0 AMB 25-1:1659 3.50 (# 1659:25 Double Ambig)
&rst
ixpk= 1659, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 978, 979, 851,
igr2= 920, 921, 922, 924, 925, 926,1098,1099,1100,1102,
1103,1104,
&end
#
# 8 VAL HA 8 VAL QG- 2.80 (# 1660:25 Unique 2.38, 3.17 A)
&rst
ixpk= 1660, nxpk= 25, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 146, 147, 148, 150, 151, 152,
&end
#
# 76 GLU QG 74 VAL QG- 5.50 (# 1662:25 Unique 2.64, 5.80 A)
&rst
ixpk= 1662, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1201,1202,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 75 THR HN 74 VAL QG- 3.50 (# 1663:25 Unique 2.59, 4.12 A)
&rst
ixpk= 1663, nxpk= 25, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 74 VAL HN 74 VAL QG- 2.80 (# 1664:25 Unique 2.00, 4.06 A)
&rst
ixpk= 1664, nxpk= 25, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 73 SER HA 74 VAL QG- 3.50 (# 1665:25 Unique 3.21, 5.41 A)
&rst
ixpk= 1665, nxpk= 25, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 74 VAL HA 74 VAL QG- 2.80 (# 1666:25 Unique 2.50, 3.34 A)
&rst
ixpk= 1666, nxpk= 25, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 74 VAL HB 74 VAL QG- 2.80 (# 1668:25 Unique 2.39, 2.66 A)
&rst
ixpk= 1668, nxpk= 25, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 72 ILE HG1+ 74 VAL QG- 3.50 (# 1669:25 Unique 2.44, 5.57 A)
&rst
ixpk= 1669, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1144,1145,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 0 AMB 25-3:1670 74 VAL QG- 2.80 (# 1670:25 Single Ambig)
&rst
ixpk= 1670, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 112, 113, 115, 116, 117,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 57 VAL HB 74 VAL QG- 5.50 (# 1673:25 Unique 5.10, 6.62 A)
&rst
ixpk= 1673, nxpk= 25, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 57 VAL QG+ 54 GLN HA 5.50 (# 1674:25 Unique 2.38, 4.53 A)
&rst
ixpk= 1674, nxpk= 25, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 0 AMB 25-3:1675 54 GLN HA 2.80 (# 1675:25 Single Ambig)
&rst
ixpk= 1675, nxpk= 25, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 866, 914,
&end
#
# 55 SER HN 54 GLN HA 4.50 (# 1676:25 Unique 3.63, 3.64 A)
&rst
ixpk= 1676, nxpk= 25, iat= 883, 868, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 GLN HG+ 54 GLN HA 4.50 (# 1677:25 Unique 2.67, 3.28 A)
&rst
ixpk= 1677, nxpk= 25, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 873, 874,
&end
#
# 54 GLN HG- 54 GLN HA 4.50 (# 1678:25 Unique 2.67, 3.28 A)
&rst
ixpk= 1678, nxpk= 25, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 873, 874,
&end
#
# 0 AMB 25-3:1679 54 GLN HA 2.80 (# 1679:25 Single Ambig)
&rst
ixpk= 1679, nxpk= 25, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 871, 918,
&end
#
# 54 GLN HB2 54 GLN HA 4.50 (# 1680:25 Unique 3.00, 3.04 A)
&rst
ixpk= 1680, nxpk= 25, iat= 870, 868, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1684 57 VAL QG- 5.50 (# 1684:25 Single Ambig)
&rst
ixpk= 1684, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 885, 839,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 0 AMB 25-3:1685 0 AMB 25-1:1685 3.50 (# 1685:25 Double Ambig)
&rst
ixpk= 1685, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1063,1064, 932,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104, 920, 921, 922, 924, 925, 926,
&end
#
# 70 THR HN 0 AMB 25-1:1687 3.50 (# 1687:25 Single Ambig)
&rst
ixpk= 1687, nxpk= 25, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 71 ASP HN 0 AMB 25-1:1688 3.50 (# 1688:25 Single Ambig)
&rst
ixpk= 1688, nxpk= 25, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 17 PHE QD 0 AMB 25-1:1689 3.50 (# 1689:25 Single Ambig)
&rst
ixpk= 1689, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 270, 278,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104, 146, 147, 148, 150, 151, 152,
&end
#
# 17 PHE HZ 8 VAL QG- 2.80 (# 1690:25 Unique 2.27, 3.45 A)
&rst
ixpk= 1690, nxpk= 25, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 146, 147, 148, 150, 151, 152,
&end
#
# 61 LYS HA 0 AMB 25-1:1691 2.80 (# 1691:25 Single Ambig)
&rst
ixpk= 1691, nxpk= 25, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 9 ASP HB3 0 AMB 25-1:1692 5.50 (# 1692:25 Single Ambig)
&rst
ixpk= 1692, nxpk= 25, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104, 146, 147, 148, 150, 151, 152,
&end
#
# 69 VAL HB 0 AMB 25-1:1693 2.80 (# 1693:25 Single Ambig)
&rst
ixpk= 1693, nxpk= 25, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104, 146, 147, 148, 150, 151, 152,
&end
#
# 54 GLN HE2+ 54 GLN HA 5.50 (# 1695:25 Unique 2.83, 3.35 A)
&rst
ixpk= 1695, nxpk= 25, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 878, 879,
&end
#
# 88 ILE HG1- 34 VAL QG+ 5.50 (# 1696:25 Unique 2.63, 4.91 A)
&rst
ixpk= 1696, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1395,1396,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 18 ARG HB- 34 VAL QG+ 3.50 (# 1697:25 Unique 2.28, 4.41 A)
&rst
ixpk= 1697, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 286, 287,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 25-3:1698 0 AMB 25-1:1698 5.50 (# 1698:25 Double Ambig)
&rst
ixpk= 1698, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 146, 147, 148, 150, 151, 152, 115, 116, 117,
igr2= 568, 569, 570, 572, 573, 574,1186,1187,1188,
&end
#
# 0 AMB 25-3:1699 0 AMB 25-1:1699 2.80 (# 1699:25 Double Ambig)
&rst
ixpk= 1699, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1094,1009,1010,1009,1010,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,1098,1099,1100,1102,1103,1104,
&end
#
# 61 LYS HN 58 GLU HA 5.50 (# 1700:25 Unique 3.50, 3.52 A)
&rst
ixpk= 1700, nxpk= 25, iat= 971, 932, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ALA HN 58 GLU HA 4.50 (# 1701:25 Unique 3.55, 3.55 A)
&rst
ixpk= 1701, nxpk= 25, iat= 945, 932, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 GLU HN 58 GLU HA 2.80 (# 1702:25 Unique 2.82, 2.83 A)
&rst
ixpk= 1702, nxpk= 25, iat= 930, 932, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 58 GLU QB 58 GLU HA 2.80 (# 1703:25 Unique 2.45, 2.76 A)
&rst
ixpk= 1703, nxpk= 25, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 934, 935,
&end
#
# 61 LYS QG 58 GLU HA 4.50 (# 1704:25 Unique 2.09, 2.80 A)
&rst
ixpk= 1704, nxpk= 25, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 978, 979,
&end
#
# 61 LYS HB+ 61 LYS HA 2.80 (# 1705:25 Unique 2.35, 2.40 A)
&rst
ixpk= 1705, nxpk= 25, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 975, 976,
&end
#
# 72 ILE HB 61 LYS HA 4.50 (# 1706:25 Unique 3.30, 3.64 A)
&rst
ixpk= 1706, nxpk= 25, iat=1138, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1707 61 LYS HA 3.50 (# 1707:25 Single Ambig)
&rst
ixpk= 1707, nxpk= 25, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1147,1148,1149, 961, 962, 963,
&end
#
# 61 LYS HN 61 LYS HA 3.50 (# 1708:25 Unique 2.86, 2.87 A)
&rst
ixpk= 1708, nxpk= 25, iat= 971, 973, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 VAL HB 61 LYS HA 5.50 (# 1709:25 Unique 3.77, 3.96 A)
&rst
ixpk= 1709, nxpk= 25, iat=1096, 973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 LYS QG 61 LYS HA 3.50 (# 1710:25 Unique 3.74, 3.76 A)
&rst
ixpk= 1710, nxpk= 25, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 978, 979,
&end
#
# 25 ALA HN 22 GLN HA 4.50 (# 1712:25 Unique 3.18, 3.33 A)
&rst
ixpk= 1712, nxpk= 25, iat= 412, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLN HN 22 GLN HA 2.80 (# 1714:25 Unique 2.82, 2.83 A)
&rst
ixpk= 1714, nxpk= 25, iat= 363, 365, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 GLN QG 22 GLN HA 3.50 (# 1716:25 Unique 2.72, 3.26 A)
&rst
ixpk= 1716, nxpk= 25, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 370, 371,
&end
#
# 25 ALA QB 22 GLN HA 3.50 (# 1717:25 Unique 2.41, 3.40 A)
&rst
ixpk= 1717, nxpk= 25, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 416, 417, 418,
&end
#
# 22 GLN HN 34 VAL QG+ 4.50 (# 1718:25 Unique 3.31, 5.14 A)
&rst
ixpk= 1718, nxpk= 25, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 34 VAL HN 34 VAL QG+ 2.80 (# 1719:25 Unique 2.36, 4.05 A)
&rst
ixpk= 1719, nxpk= 25, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 88 ILE HA 34 VAL QG+ 3.50 (# 1721:25 Unique 2.32, 4.23 A)
&rst
ixpk= 1721, nxpk= 25, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 25-3:1722 0 AMB 25-1:1722 5.50 (# 1722:25 Double Ambig)
&rst
ixpk= 1722, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
igr1= 542, 543,1359, 331, 332,
igr2= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
573, 574, 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 25-3:1723 0 AMB 25-1:1723 2.80 (# 1723:25 Double Ambig)
&rst
ixpk= 1723, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 286, 287, 566,
igr2= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
573, 574,
&end
#
# 21 VAL HB 34 VAL QG+ 3.50 (# 1724:25 Unique 2.49, 3.87 A)
&rst
ixpk= 1724, nxpk= 25, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 25-3:1726 0 AMB 25-1:1726 3.50 (# 1726:25 Double Ambig)
&rst
ixpk= 1726, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1= 353, 354, 355, 357, 358, 359,1395,1396,
igr2= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
573, 574,
&end
#
# 88 ILE QG2 34 VAL QG+ 3.50 (# 1727:25 Unique 2.63, 5.65 A)
&rst
ixpk= 1727, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1391,1392,1393,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 25-3:1728 0 AMB 25-1:1728 3.50 (# 1728:25 Double Ambig)
&rst
ixpk= 1728, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1404, 347,1385,
igr2= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
573, 574, 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 25-3:1729 0 AMB 25-1:1729 5.50 (# 1729:25 Double Ambig)
&rst
ixpk= 1729, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 368, 713, 714,
igr2= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
573, 574,
&end
#
# 69 VAL HN 0 AMB 25-1:1731 2.80 (# 1731:25 Single Ambig)
&rst
ixpk= 1731, nxpk= 25, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 63 GLY HN 0 AMB 25-1:1732 4.50 (# 1732:25 Single Ambig)
&rst
ixpk= 1732, nxpk= 25, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 0 AMB 25-3:1733 0 AMB 25-1:1733 3.50 (# 1733:25 Double Ambig)
&rst
ixpk= 1733, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 995,1072,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,1098,1099,1100,1102,1103,1104,
&end
#
# 63 GLY HA- 0 AMB 25-1:1734 3.50 (# 1734:25 Single Ambig)
&rst
ixpk= 1734, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1009,1010,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 0 AMB 25-3:1735 0 AMB 25-1:1735 3.50 (# 1735:25 Double Ambig)
&rst
ixpk= 1735, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.17, r4= 9.67,
igr1= 205, 206, 207, 209, 210, 211, 205, 206, 207, 209,
210, 211, 856, 857, 858, 860, 861, 862,
igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104, 920, 921, 922, 924, 925, 926,
&end
#
# 0 AMB 25-3:1736 0 AMB 25-1:1736 5.50 (# 1736:25 Double Ambig)
&rst
ixpk= 1736, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 179, 180, 219,
igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
250, 251,
&end
#
# 27 LYS HN 27 LYS HA 2.80 (# 1738:25 Unique 2.79, 2.81 A)
&rst
ixpk= 1738, nxpk= 25, iat= 434, 436, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 LYS QB 27 LYS HA 2.80 (# 1739:25 Unique 2.22, 2.43 A)
&rst
ixpk= 1739, nxpk= 25, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 438, 439,
&end
#
# 61 LYS QD 58 GLU HA 4.50 (# 1741:25 Unique 2.80, 3.60 A)
&rst
ixpk= 1741, nxpk= 25, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 981, 982,
&end
#
# 0 AMB 25-3:1742 58 GLU HA 3.50 (# 1742:25 Single Ambig)
&rst
ixpk= 1742, nxpk= 25, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 937, 938, 937, 938,
&end
#
# 62 ASN HN 61 LYS HA 4.50 (# 1743:25 Unique 3.20, 3.33 A)
&rst
ixpk= 1743, nxpk= 25, iat= 993, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1744 61 LYS HA 3.50 (# 1744:25 Single Ambig)
&rst
ixpk= 1744, nxpk= 25, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
1103,1104,
&end
#
# 35 LYS HN 34 VAL QG+ 5.50 (# 1749:25 Unique 2.57, 4.07 A)
&rst
ixpk= 1749, nxpk= 25, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 18 ARG HA 34 VAL QG+ 4.50 (# 1750:25 Unique 2.31, 3.34 A)
&rst
ixpk= 1750, nxpk= 25, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 18 ARG HD- 34 VAL QG+ 5.50 (# 1751:25 Unique 2.21, 4.97 A)
&rst
ixpk= 1751, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 292, 293,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 34 VAL HA 34 VAL QG+ 4.50 (# 1752:25 Unique 2.38, 3.53 A)
&rst
ixpk= 1752, nxpk= 25, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 15 VAL HA 15 VAL QG+ 2.80 (# 1753:25 Unique 2.29, 3.46 A)
&rst
ixpk= 1753, nxpk= 25, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 0 AMB 25-3:1754 0 AMB 25-1:1754 4.50 (# 1754:25 Double Ambig)
&rst
ixpk= 1754, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 201, 234, 235,
igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
250, 251,
&end
#
# 67 SER QB 15 VAL QG+ 5.50 (# 1755:25 Unique 2.97, 5.23 A)
&rst
ixpk= 1755, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1063,1064,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 66 PHE HB+ 15 VAL QG+ 4.50 (# 1756:25 Unique 2.55, 4.45 A)
&rst
ixpk= 1756, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1043,1044,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 11 ARG HD+ 15 VAL QG+ 4.50 (# 1757:25 Unique 2.27, 4.67 A)
&rst
ixpk= 1757, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 185, 186,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 0 AMB 25-3:1758 0 AMB 25-1:1758 4.50 (# 1758:25 Double Ambig)
&rst
ixpk= 1758, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 266, 267,1043,1044,
igr2= 245, 246, 247, 249, 250, 251, 245, 246, 247, 249,
250, 251,
&end
#
# 15 VAL HB 15 VAL QG+ 2.80 (# 1759:25 Unique 2.37, 2.65 A)
&rst
ixpk= 1759, nxpk= 25, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 11 ARG HG+ 15 VAL QG+ 3.50 (# 1760:25 Unique 2.26, 3.79 A)
&rst
ixpk= 1760, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 182, 183,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 67 SER HA 15 VAL QG+ 3.50 (# 1762:25 Unique 2.15, 3.46 A)
&rst
ixpk= 1762, nxpk= 25, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 35 LYS HE+ 89 VAL QG+ 5.50 (# 1763:25 Unique 2.32, 4.75 A)
&rst
ixpk= 1763, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 591, 592,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 89 VAL HN 89 VAL QG+ 4.50 (# 1764:25 Unique 2.42, 3.93 A)
&rst
ixpk= 1764, nxpk= 25, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 91 SER HN 89 VAL QG+ 4.50 (# 1765:25 Unique 1.98, 4.49 A)
&rst
ixpk= 1765, nxpk= 25, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 89 VAL HA 89 VAL QG+ 3.50 (# 1766:25 Unique 2.48, 3.17 A)
&rst
ixpk= 1766, nxpk= 25, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 33 TRP HB+ 89 VAL QG+ 5.50 (# 1767:25 Unique 2.22, 5.16 A)
&rst
ixpk= 1767, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 542, 543,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 33 TRP HB- 89 VAL QG+ 5.50 (# 1768:25 Unique 2.22, 5.16 A)
&rst
ixpk= 1768, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 542, 543,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 89 VAL HB 89 VAL QG+ 2.80 (# 1769:25 Unique 2.44, 2.67 A)
&rst
ixpk= 1769, nxpk= 25, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 35 LYS HB3 89 VAL QG+ 3.50 (# 1770:25 Unique 2.43, 3.62 A)
&rst
ixpk= 1770, nxpk= 25, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 35 LYS HG+ 89 VAL QG+ 4.50 (# 1771:25 Unique 4.60, 6.04 A)
&rst
ixpk= 1771, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 585, 586,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 35 LYS HD+ 89 VAL QG+ 3.50 (# 1772:25 Unique 3.44, 5.75 A)
&rst
ixpk= 1772, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 588, 589,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 0 AMB 25-3:1775 0 AMB 25-1:1775 5.50 (# 1775:25 Double Ambig)
&rst
ixpk= 1775, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1387,1443,
igr2=1410,1411,1412,1414,1415,1416,1410,1411,1412,1414,
1415,1416,
&end
#
# 28 ARG HN 27 LYS HA 4.50 (# 1777:25 Unique 3.36, 3.51 A)
&rst
ixpk= 1777, nxpk= 25, iat= 456, 436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 LYS QG 27 LYS HA 3.50 (# 1778:25 Unique 3.61, 3.78 A)
&rst
ixpk= 1778, nxpk= 25, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 441, 442,
&end
#
# 87 SER HB3 89 VAL QG+ 5.50 (# 1780:25 Unique 3.47, 5.61 A)
&rst
ixpk= 1780, nxpk= 25, iat=1379, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 90 TYR HN 89 VAL QG+ 3.50 (# 1781:25 Unique 2.78, 4.29 A)
&rst
ixpk= 1781, nxpk= 25, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 23 MET HN 23 MET HA 3.50 (# 1782:25 Unique 2.84, 2.85 A)
&rst
ixpk= 1782, nxpk= 25, iat= 380, 382, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 ASP HB2 23 MET HA 4.50 (# 1783:25 Unique 2.80, 2.82 A)
&rst
ixpk= 1783, nxpk= 25, iat= 426, 382, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1784 23 MET HA 4.50 (# 1784:25 Single Ambig)
&rst
ixpk= 1784, nxpk= 25, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 375, 376, 397,
&end
#
# 23 MET HG+ 23 MET HA 3.50 (# 1785:25 Unique 2.55, 2.91 A)
&rst
ixpk= 1785, nxpk= 25, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 387, 388,
&end
#
# 23 MET HG- 23 MET HA 2.80 (# 1786:25 Unique 2.55, 2.91 A)
&rst
ixpk= 1786, nxpk= 25, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 387, 388,
&end
#
# 75 THR HN 74 VAL QG+ 2.80 (# 1788:25 Unique 2.59, 4.12 A)
&rst
ixpk= 1788, nxpk= 25, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 4 TYR QD 74 VAL QG+ 4.50 (# 1789:25 Unique 4.92, 7.00 A)
&rst
ixpk= 1789, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 65, 74,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 6 ILE HA 74 VAL QG+ 4.50 (# 1791:25 Unique 3.71, 5.27 A)
&rst
ixpk= 1791, nxpk= 25, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 74 VAL HA 74 VAL QG+ 3.50 (# 1792:25 Unique 2.50, 3.34 A)
&rst
ixpk= 1792, nxpk= 25, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 4 TYR HB3 74 VAL QG+ 4.50 (# 1794:25 Unique 3.80, 5.69 A)
&rst
ixpk= 1794, nxpk= 25, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 76 GLU QG 74 VAL QG+ 4.50 (# 1795:25 Unique 2.64, 5.80 A)
&rst
ixpk= 1795, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1201,1202,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 74 VAL HB 74 VAL QG+ 2.80 (# 1796:25 Unique 2.39, 2.66 A)
&rst
ixpk= 1796, nxpk= 25, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 57 VAL QG+ 74 VAL QG+ 3.50 (# 1797:25 Unique 2.60, 5.46 A)
&rst
ixpk= 1797, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 920, 921, 922, 924, 925, 926,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 0 AMB 25-3:1798 0 AMB 25-1:1798 2.80 (# 1798:25 Double Ambig)
&rst
ixpk= 1798, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 112, 113, 115, 116, 117,
igr2=1170,1171,1172,1174,1175,1176,1170,1171,1172,1174,
1175,1176,
&end
#
# 0 AMB 25-3:1799 0 AMB 25-1:1799 3.50 (# 1799:25 Double Ambig)
&rst
ixpk= 1799, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 108, 109, 110,1144,1145,
igr2=1170,1171,1172,1174,1175,1176,1170,1171,1172,1174,
1175,1176,
&end
#
# 90 TYR HN 89 VAL QG- 4.50 (# 1806:25 Unique 2.78, 4.29 A)
&rst
ixpk= 1806, nxpk= 25, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 89 VAL HN 89 VAL QG- 2.80 (# 1807:25 Unique 2.42, 3.93 A)
&rst
ixpk= 1807, nxpk= 25, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 34 VAL HN 89 VAL QG- 3.50 (# 1808:25 Unique 3.09, 5.58 A)
&rst
ixpk= 1808, nxpk= 25, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 33 TRP HD1 89 VAL QG- 5.50 (# 1809:25 Unique 4.04, 6.15 A)
&rst
ixpk= 1809, nxpk= 25, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 0 AMB 25-3:1810 89 VAL QG- 3.50 (# 1810:25 Single Ambig)
&rst
ixpk= 1810, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1387,1443,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 89 VAL HA 89 VAL QG- 2.80 (# 1811:25 Unique 2.48, 3.17 A)
&rst
ixpk= 1811, nxpk= 25, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 87 SER HB2 89 VAL QG- 5.50 (# 1812:25 Unique 3.43, 5.84 A)
&rst
ixpk= 1812, nxpk= 25, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 33 TRP HB+ 89 VAL QG- 3.50 (# 1813:25 Unique 2.22, 5.16 A)
&rst
ixpk= 1813, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 542, 543,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 33 TRP HB- 89 VAL QG- 3.50 (# 1814:25 Unique 2.22, 5.16 A)
&rst
ixpk= 1814, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 542, 543,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 89 VAL HB 89 VAL QG- 2.80 (# 1816:25 Unique 2.44, 2.67 A)
&rst
ixpk= 1816, nxpk= 25, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 35 LYS HB3 89 VAL QG- 3.50 (# 1817:25 Unique 2.43, 3.62 A)
&rst
ixpk= 1817, nxpk= 25, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 0 AMB 25-3:1818 89 VAL QG- 4.50 (# 1818:25 Single Ambig)
&rst
ixpk= 1818, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 588, 589, 568, 569, 570, 572, 573, 574,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 0 AMB 25-3:1819 89 VAL QG- 3.50 (# 1819:25 Single Ambig)
&rst
ixpk= 1819, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 588, 589, 568, 569, 570, 572, 573, 574,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 33 TRP HA 89 VAL QG- 5.50 (# 1822:25 Unique 4.00, 6.59 A)
&rst
ixpk= 1822, nxpk= 25, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 35 LYS HG+ 89 VAL QG- 5.50 (# 1823:25 Unique 4.60, 6.04 A)
&rst
ixpk= 1823, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 585, 586,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 74 VAL HN 74 VAL QG+ 4.50 (# 1826:25 Unique 2.00, 4.06 A)
&rst
ixpk= 1826, nxpk= 25, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 4 TYR HA 74 VAL QG+ 4.50 (# 1827:25 Unique 4.73, 6.74 A)
&rst
ixpk= 1827, nxpk= 25, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 73 SER HA 74 VAL QG+ 5.50 (# 1829:25 Unique 3.21, 5.41 A)
&rst
ixpk= 1829, nxpk= 25, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1170,1171,1172,1174,1175,1176,
&end
#
# 87 SER HB3 89 VAL QG- 5.50 (# 1830:25 Unique 3.47, 5.61 A)
&rst
ixpk= 1830, nxpk= 25, iat=1379, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1410,1411,1412,1414,1415,1416,
&end
#
# 25 ALA HN 24 GLU HA 4.50 (# 1832:25 Unique 3.55, 3.59 A)
&rst
ixpk= 1832, nxpk= 25, iat= 412, 399, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 LYS HE- 24 GLU HA 5.50 (# 1833:25 Unique 2.30, 3.69 A)
&rst
ixpk= 1833, nxpk= 25, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 447, 448,
&end
#
# 24 GLU HB3 24 GLU HA 3.50 (# 1834:25 Unique 2.47, 2.54 A)
&rst
ixpk= 1834, nxpk= 25, iat= 402, 399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 GLU HG- 24 GLU HA 5.50 (# 1835:25 Unique 2.88, 3.40 A)
&rst
ixpk= 1835, nxpk= 25, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 404, 405,
&end
#
# 56 PHE QD 53 LEU HA 5.50 (# 1841:25 Unique 2.98, 4.43 A)
&rst
ixpk= 1841, nxpk= 25, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 902, 910,
&end
#
# 0 AMB 25-3:1842 53 LEU HA 4.50 (# 1842:25 Single Ambig)
&rst
ixpk= 1842, nxpk= 25, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 854, 766, 767, 768,
&end
#
# 56 PHE HB2 53 LEU HA 4.50 (# 1844:25 Unique 2.06, 2.67 A)
&rst
ixpk= 1844, nxpk= 25, iat= 898, 849, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 VAL QG+ 53 LEU HA 5.50 (# 1845:25 Unique 3.92, 6.53 A)
&rst
ixpk= 1845, nxpk= 25, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 53 LEU HB3 53 LEU HA 3.50 (# 1846:25 Unique 2.48, 2.54 A)
&rst
ixpk= 1846, nxpk= 25, iat= 852, 849, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 LEU QD- 53 LEU HA 5.50 (# 1847:25 Unique 2.23, 3.79 A)
&rst
ixpk= 1847, nxpk= 25, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 30 LEU QD+ 53 LEU HA 3.50 (# 1848:25 Unique 2.97, 4.86 A)
&rst
ixpk= 1848, nxpk= 25, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 511, 512, 513, 515, 516, 517,
&end
#
# 56 PHE HN 53 LEU HA 4.50 (# 1849:25 Unique 2.84, 3.29 A)
&rst
ixpk= 1849, nxpk= 25, iat= 894, 849, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU HN 53 LEU HA 4.50 (# 1850:25 Unique 2.77, 2.80 A)
&rst
ixpk= 1850, nxpk= 25, iat= 847, 849, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 PHE HB3 53 LEU HA 3.50 (# 1851:25 Unique 2.28, 2.90 A)
&rst
ixpk= 1851, nxpk= 25, iat= 899, 849, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 LEU QD+ 53 LEU HA 4.50 (# 1852:25 Unique 2.23, 3.79 A)
&rst
ixpk= 1852, nxpk= 25, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 856, 857, 858, 860, 861, 862,
&end
#
# 49 PRO HB+ 52 ALA QB 5.50 (# 1854:25 Unique 3.96, 5.22 A)
&rst
ixpk= 1854, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 801, 802,
igr2= 841, 842, 843,
&end
#
# 30 LEU HB2 52 ALA QB 5.50 (# 1856:25 Unique 6.59, 7.74 A)
&rst
ixpk= 1856, nxpk= 25, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 841, 842, 843,
&end
#
# 53 LEU QD+ 52 ALA QB 5.50 (# 1857:25 Unique 3.46, 6.71 A)
&rst
ixpk= 1857, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 856, 857, 858, 860, 861, 862,
igr2= 841, 842, 843,
&end
#
# 53 LEU HN 52 ALA QB 2.80 (# 1859:25 Unique 2.56, 3.49 A)
&rst
ixpk= 1859, nxpk= 25, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 841, 842, 843,
&end
#
# 52 ALA HN 52 ALA QB 2.80 (# 1861:25 Unique 2.48, 2.96 A)
&rst
ixpk= 1861, nxpk= 25, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 841, 842, 843,
&end
#
# 52 ALA HA 52 ALA QB 2.80 (# 1862:25 Unique 2.41, 2.66 A)
&rst
ixpk= 1862, nxpk= 25, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 841, 842, 843,
&end
#
# 49 PRO HD+ 52 ALA QB 3.50 (# 1864:25 Unique 2.63, 4.51 A)
&rst
ixpk= 1864, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 795, 796,
igr2= 841, 842, 843,
&end
#
# 49 PRO HD- 52 ALA QB 3.50 (# 1865:25 Unique 2.63, 4.51 A)
&rst
ixpk= 1865, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 795, 796,
igr2= 841, 842, 843,
&end
#
# 0 AMB 25-3:1866 52 ALA QB 5.50 (# 1866:25 Single Ambig)
&rst
ixpk= 1866, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 466, 467, 447, 448,
igr2= 841, 842, 843,
&end
#
# 49 PRO HG+ 52 ALA QB 3.50 (# 1867:25 Unique 2.24, 3.58 A)
&rst
ixpk= 1867, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 798, 799,
igr2= 841, 842, 843,
&end
#
# 0 AMB 25-3:1868 52 ALA QB 2.80 (# 1868:25 Single Ambig)
&rst
ixpk= 1868, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 461, 801, 802,
igr2= 841, 842, 843,
&end
#
# 30 LEU QD- 52 ALA QB 2.80 (# 1869:25 Unique 2.79, 5.25 A)
&rst
ixpk= 1869, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 511, 512, 513, 515, 516, 517,
igr2= 841, 842, 843,
&end
#
# 0 AMB 25-3:1870 52 ALA QB 4.50 (# 1870:25 Single Ambig)
&rst
ixpk= 1870, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 789, 790, 887, 888,
igr2= 841, 842, 843,
&end
#
# 30 LEU QD+ 52 ALA QB 4.50 (# 1871:25 Unique 2.79, 5.25 A)
&rst
ixpk= 1871, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 511, 512, 513, 515, 516, 517,
igr2= 841, 842, 843,
&end
#
# 81 GLU HG+ 81 GLU HA 3.50 (# 1876:25 Unique 2.28, 3.00 A)
&rst
ixpk= 1876, nxpk= 25, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1281,1282,
&end
#
# 81 GLU QB 81 GLU HA 2.80 (# 1877:25 Unique 2.38, 2.78 A)
&rst
ixpk= 1877, nxpk= 25, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1278,1279,
&end
#
# 28 ARG HN 29 LYS HA 5.50 (# 1880:25 Unique 4.28, 4.38 A)
&rst
ixpk= 1880, nxpk= 25, iat= 456, 482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS QB 29 LYS HA 2.80 (# 1881:25 Unique 2.42, 2.75 A)
&rst
ixpk= 1881, nxpk= 25, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 484, 485,
&end
#
# 29 LYS QG 29 LYS HA 3.50 (# 1882:25 Unique 2.39, 2.96 A)
&rst
ixpk= 1882, nxpk= 25, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 487, 488,
&end
#
# 29 LYS HN 29 LYS HA 2.80 (# 1883:25 Unique 2.22, 2.23 A)
&rst
ixpk= 1883, nxpk= 25, iat= 480, 482, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 LEU HN 29 LYS HA 4.50 (# 1884:25 Unique 2.63, 2.68 A)
&rst
ixpk= 1884, nxpk= 25, iat= 502, 482, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 GLY HN 81 GLU HA 5.50 (# 1885:25 Unique 2.11, 2.38 A)
&rst
ixpk= 1885, nxpk= 25, iat=1289,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1889 0 AMB 25-1:1889 3.50 (# 1889:25 Double Ambig)
&rst
ixpk= 1889, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 201,1094,
igr2= 205, 206, 207, 209, 210, 211, 245, 246, 247, 249,
250, 251,
&end
#
# 17 PHE QD 0 AMB 25-1:1892 5.50 (# 1892:25 Single Ambig)
&rst
ixpk= 1892, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 270, 278,
igr2= 205, 206, 207, 209, 210, 211, 245, 246, 247, 249,
250, 251,
&end
#
# 0 AMB 25-3:1893 15 VAL QG- 3.50 (# 1893:25 Single Ambig)
&rst
ixpk= 1893, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 266, 267,1043,1044,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 0 AMB 25-3:1894 0 AMB 25-1:1894 2.80 (# 1894:25 Double Ambig)
&rst
ixpk= 1894, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 243, 222, 223,
igr2= 245, 246, 247, 249, 250, 251, 205, 206, 207, 209,
210, 211,
&end
#
# 6 ILE HN 6 ILE QG2 5.50 (# 1895:25 Unique 4.24, 4.67 A)
&rst
ixpk= 1895, nxpk= 25, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 108, 109, 110,
&end
#
# 6 ILE HG1+ 6 ILE QG2 3.50 (# 1896:25 Unique 2.54, 3.60 A)
&rst
ixpk= 1896, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 112, 113,
igr2= 108, 109, 110,
&end
#
# 72 ILE HG1+ 6 ILE QG2 4.50 (# 1897:25 Unique 2.35, 3.21 A)
&rst
ixpk= 1897, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1144,1145,
igr2= 108, 109, 110,
&end
#
# 74 VAL QG+ 6 ILE QG2 5.50 (# 1898:25 Unique 2.33, 5.52 A)
&rst
ixpk= 1898, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1170,1171,1172,1174,1175,1176,
igr2= 108, 109, 110,
&end
#
# 72 ILE HA 6 ILE QG2 5.50 (# 1899:25 Unique 4.53, 5.06 A)
&rst
ixpk= 1899, nxpk= 25, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 108, 109, 110,
&end
#
# 8 VAL HN 7 ILE QG2 3.50 (# 1900:25 Unique 2.54, 3.25 A)
&rst
ixpk= 1900, nxpk= 25, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 127, 128, 129,
&end
#
# 7 ILE HN 7 ILE QG2 5.50 (# 1901:25 Unique 4.32, 4.70 A)
&rst
ixpk= 1901, nxpk= 25, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 127, 128, 129,
&end
#
# 42 VAL HN 7 ILE QG2 3.50 (# 1902:25 Unique 3.79, 4.49 A)
&rst
ixpk= 1902, nxpk= 25, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 127, 128, 129,
&end
#
# 43 GLU HA 7 ILE QG2 4.50 (# 1903:25 Unique 3.20, 4.64 A)
&rst
ixpk= 1903, nxpk= 25, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 127, 128, 129,
&end
#
# 7 ILE HA 7 ILE QG2 2.80 (# 1904:25 Unique 2.35, 3.09 A)
&rst
ixpk= 1904, nxpk= 25, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 127, 128, 129,
&end
#
# 0 AMB 25-3:1905 7 ILE QG2 4.50 (# 1905:25 Single Ambig)
&rst
ixpk= 1905, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 142, 695,
igr2= 127, 128, 129,
&end
#
# 73 SER QB 7 ILE QG2 4.50 (# 1906:25 Unique 3.96, 5.49 A)
&rst
ixpk= 1906, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1157,1158,
igr2= 127, 128, 129,
&end
#
# 0 AMB 25-3:1907 7 ILE QG2 2.80 (# 1907:25 Single Ambig)
&rst
ixpk= 1907, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 679, 680, 624, 625,
igr2= 127, 128, 129,
&end
#
# 43 GLU HB- 7 ILE QG2 3.50 (# 1909:25 Unique 2.93, 5.56 A)
&rst
ixpk= 1909, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 713, 714,
igr2= 127, 128, 129,
&end
#
# 0 AMB 25-3:1910 7 ILE QG2 2.80 (# 1910:25 Single Ambig)
&rst
ixpk= 1910, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 673, 674, 125,
igr2= 127, 128, 129,
&end
#
# 41 ARG HG+ 7 ILE QG2 2.80 (# 1911:25 Unique 2.24, 3.36 A)
&rst
ixpk= 1911, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 676, 677,
igr2= 127, 128, 129,
&end
#
# 7 ILE HG1- 7 ILE QG2 2.80 (# 1912:25 Unique 2.26, 3.29 A)
&rst
ixpk= 1912, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 131, 132,
igr2= 127, 128, 129,
&end
#
# 43 GLU HB+ 7 ILE QG2 5.50 (# 1913:25 Unique 2.93, 5.56 A)
&rst
ixpk= 1913, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 713, 714,
igr2= 127, 128, 129,
&end
#
# 67 SER HA 15 VAL QG- 2.80 (# 1914:25 Unique 2.15, 3.46 A)
&rst
ixpk= 1914, nxpk= 25, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 6 ILE HN 44 ILE QG2 5.50 (# 1915:25 Unique 4.61, 5.45 A)
&rst
ixpk= 1915, nxpk= 25, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 730, 731, 732,
&end
#
# 0 AMB 25-3:1916 6 ILE QG2 5.50 (# 1916:25 Single Ambig)
&rst
ixpk= 1916, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 724, 140,
igr2= 108, 109, 110,
&end
#
# 7 ILE HN 6 ILE QG2 2.80 (# 1917:25 Unique 2.71, 3.27 A)
&rst
ixpk= 1917, nxpk= 25, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 108, 109, 110,
&end
#
# 73 SER HN 6 ILE QG2 4.50 (# 1918:25 Unique 3.27, 4.15 A)
&rst
ixpk= 1918, nxpk= 25, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 108, 109, 110,
&end
#
# 6 ILE HA 6 ILE QG2 2.80 (# 1919:25 Unique 2.74, 3.32 A)
&rst
ixpk= 1919, nxpk= 25, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 108, 109, 110,
&end
#
# 8 VAL HB 6 ILE QG2 5.50 (# 1920:25 Unique 4.83, 5.93 A)
&rst
ixpk= 1920, nxpk= 25, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 108, 109, 110,
&end
#
# 6 ILE HB 6 ILE QG2 2.80 (# 1921:25 Unique 2.40, 2.65 A)
&rst
ixpk= 1921, nxpk= 25, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 108, 109, 110,
&end
#
# 57 VAL QG+ 6 ILE QG2 3.50 (# 1922:25 Unique 3.26, 5.69 A)
&rst
ixpk= 1922, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 920, 921, 922, 924, 925, 926,
igr2= 108, 109, 110,
&end
#
# 0 AMB 25-3:1923 6 ILE QG2 2.80 (# 1923:25 Single Ambig)
&rst
ixpk= 1923, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1170,1171,1172,1174,1175,1176, 961, 962, 963,
igr2= 108, 109, 110,
&end
#
# 60 VAL QG2 6 ILE QG2 5.50 (# 1924:25 Unique 4.12, 6.07 A)
&rst
ixpk= 1924, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 965, 966, 967,
igr2= 108, 109, 110,
&end
#
# 74 VAL HA 6 ILE QG2 5.50 (# 1926:25 Unique 3.08, 4.24 A)
&rst
ixpk= 1926, nxpk= 25, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 108, 109, 110,
&end
#
# 5 ARG HG+ 7 ILE QG2 5.50 (# 1927:25 Unique 6.58, 8.33 A)
&rst
ixpk= 1927, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 85, 86,
igr2= 127, 128, 129,
&end
#
# 13 GLN HG- 12 VAL QG- 5.50 (# 1928:25 Unique 2.71, 6.33 A)
&rst
ixpk= 1928, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 222, 223,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 0 AMB 25-3:1929 12 VAL QG- 2.80 (# 1929:25 Single Ambig)
&rst
ixpk= 1929, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 168, 693,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 13 GLN HN 15 VAL QG- 3.50 (# 1930:25 Unique 2.45, 4.30 A)
&rst
ixpk= 1930, nxpk= 25, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 0 AMB 25-3:1932 12 VAL QG- 2.80 (# 1932:25 Single Ambig)
&rst
ixpk= 1932, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 227, 228, 199,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 9 ASP HA 12 VAL QG- 4.50 (# 1933:25 Unique 2.60, 4.15 A)
&rst
ixpk= 1933, nxpk= 25, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 12 VAL HB 12 VAL QG- 2.80 (# 1935:25 Unique 2.39, 2.66 A)
&rst
ixpk= 1935, nxpk= 25, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 42 VAL QG+ 12 VAL QG- 2.80 (# 1936:25 Unique 2.24, 5.86 A)
&rst
ixpk= 1936, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 699, 700, 701, 703, 704, 705,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 8 VAL QG+ 12 VAL QG- 2.80 (# 1937:25 Unique 2.14, 5.69 A)
&rst
ixpk= 1937, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 146, 147, 148, 150, 151, 152,
igr2= 205, 206, 207, 209, 210, 211,
&end
#
# 64 SER HB- 64 SER HA 3.50 (# 1939:25 Unique 2.23, 2.51 A)
&rst
ixpk= 1939, nxpk= 25, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1018,1019,
&end
#
# 65 PRO HD- 64 SER HA 3.50 (# 1940:25 Unique 2.10, 2.51 A)
&rst
ixpk= 1940, nxpk= 25, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1026,1027,
&end
#
# 46 ALA HN 44 ILE QG2 5.50 (# 1941:25 Unique 3.66, 4.73 A)
&rst
ixpk= 1941, nxpk= 25, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 730, 731, 732,
&end
#
# 33 TRP HN 44 ILE QG2 5.50 (# 1942:25 Unique 4.09, 4.84 A)
&rst
ixpk= 1942, nxpk= 25, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 730, 731, 732,
&end
#
# 45 LEU HN 44 ILE QG2 3.50 (# 1943:25 Unique 2.35, 3.10 A)
&rst
ixpk= 1943, nxpk= 25, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 730, 731, 732,
&end
#
# 86 PHE HZ 44 ILE QG2 4.50 (# 1944:25 Unique 2.10, 2.95 A)
&rst
ixpk= 1944, nxpk= 25, iat=1366, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 730, 731, 732,
&end
#
# 56 PHE QD 44 ILE QG2 4.50 (# 1945:25 Unique 5.43, 7.74 A)
&rst
ixpk= 1945, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 902, 910,
igr2= 730, 731, 732,
&end
#
# 44 ILE HA 44 ILE QG2 3.50 (# 1947:25 Unique 2.36, 3.05 A)
&rst
ixpk= 1947, nxpk= 25, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 730, 731, 732,
&end
#
# 34 VAL HB 44 ILE QG2 3.50 (# 1948:25 Unique 2.44, 3.90 A)
&rst
ixpk= 1948, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 730, 731, 732,
&end
#
# 44 ILE HB 44 ILE QG2 2.80 (# 1949:25 Unique 2.43, 2.67 A)
&rst
ixpk= 1949, nxpk= 25, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 730, 731, 732,
&end
#
# 21 VAL QG+ 44 ILE QG2 2.80 (# 1950:25 Unique 2.37, 4.71 A)
&rst
ixpk= 1950, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 353, 354, 355, 357, 358, 359,
igr2= 730, 731, 732,
&end
#
# 0 AMB 25-3:1951 44 ILE QG2 4.50 (# 1951:25 Single Ambig)
&rst
ixpk= 1951, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 961, 962, 963, 752, 753, 754, 756, 757, 758,
igr2= 730, 731, 732,
&end
#
# 60 VAL QG2 44 ILE QG2 4.50 (# 1952:25 Unique 2.98, 4.93 A)
&rst
ixpk= 1952, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 965, 966, 967,
igr2= 730, 731, 732,
&end
#
# 0 AMB 25-3:1953 44 ILE QG2 5.50 (# 1953:25 Single Ambig)
&rst
ixpk= 1953, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 724, 578,
igr2= 730, 731, 732,
&end
#
# 45 LEU HA 44 ILE QG2 4.50 (# 1954:25 Unique 3.33, 4.50 A)
&rst
ixpk= 1954, nxpk= 25, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 730, 731, 732,
&end
#
# 0 AMB 25-3:1955 44 ILE QG2 5.50 (# 1955:25 Single Ambig)
&rst
ixpk= 1955, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 351, 779, 780,
igr2= 730, 731, 732,
&end
#
# 0 AMB 25-3:1957 44 ILE QG2 3.50 (# 1957:25 Single Ambig)
&rst
ixpk= 1957, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 115, 116, 117, 112, 113, 146, 147, 148, 150, 151,
152,
igr2= 730, 731, 732,
&end
#
# 0 AMB 25-3:1958 88 ILE QG2 2.80 (# 1958:25 Single Ambig)
&rst
ixpk= 1958, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1404,1385,
igr2=1391,1392,1393,
&end
#
# 90 TYR QD 88 ILE QG2 4.50 (# 1959:25 Unique 3.79, 6.90 A)
&rst
ixpk= 1959, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1428,1437,
igr2=1391,1392,1393,
&end
#
# 90 TYR QE 88 ILE QG2 4.50 (# 1960:25 Unique 5.85, 8.54 A)
&rst
ixpk= 1960, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1430,1435,
igr2=1391,1392,1393,
&end
#
# 88 ILE HA 88 ILE QG2 3.50 (# 1963:25 Unique 2.42, 3.15 A)
&rst
ixpk= 1963, nxpk= 25, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1391,1392,1393,
&end
#
# 18 ARG HA 88 ILE QG2 5.50 (# 1964:25 Unique 4.67, 5.62 A)
&rst
ixpk= 1964, nxpk= 25, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1391,1392,1393,
&end
#
# 18 ARG HD- 88 ILE QG2 3.50 (# 1965:25 Unique 2.19, 3.44 A)
&rst
ixpk= 1965, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 292, 293,
igr2=1391,1392,1393,
&end
#
# 18 ARG HB+ 88 ILE QG2 4.50 (# 1966:25 Unique 2.28, 3.57 A)
&rst
ixpk= 1966, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 286, 287,
igr2=1391,1392,1393,
&end
#
# 22 GLN HB3 88 ILE QG2 5.50 (# 1967:25 Unique 5.53, 6.27 A)
&rst
ixpk= 1967, nxpk= 25, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1391,1392,1393,
&end
#
# 88 ILE HG1- 88 ILE QG2 3.50 (# 1968:25 Unique 2.47, 3.50 A)
&rst
ixpk= 1968, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1395,1396,
igr2=1391,1392,1393,
&end
#
# 88 ILE HB 88 ILE QG2 2.80 (# 1969:25 Unique 2.38, 2.68 A)
&rst
ixpk= 1969, nxpk= 25, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1391,1392,1393,
&end
#
# 34 VAL QG+ 88 ILE QG2 4.50 (# 1970:25 Unique 2.63, 5.65 A)
&rst
ixpk= 1970, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 568, 569, 570, 572, 573, 574,
igr2=1391,1392,1393,
&end
#
# 34 VAL QG- 88 ILE QG2 4.50 (# 1971:25 Unique 2.63, 5.65 A)
&rst
ixpk= 1971, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 568, 569, 570, 572, 573, 574,
igr2=1391,1392,1393,
&end
#
# 88 ILE QD1 88 ILE QG2 2.80 (# 1972:25 Unique 2.18, 3.85 A)
&rst
ixpk= 1972, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1398,1399,1400,
igr2=1391,1392,1393,
&end
#
# 88 ILE HG1+ 88 ILE QG2 2.80 (# 1973:25 Unique 2.47, 3.50 A)
&rst
ixpk= 1973, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1395,1396,
igr2=1391,1392,1393,
&end
#
# 18 ARG HD+ 88 ILE QG2 4.50 (# 1974:25 Unique 2.19, 3.44 A)
&rst
ixpk= 1974, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 292, 293,
igr2=1391,1392,1393,
&end
#
# 49 PRO HA 1 MET HA 3.50 (# 1977:25 Unique 2.08, 2.36 A)
&rst
ixpk= 1977, nxpk= 25, iat= 804, 6, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 1 MET HB- 1 MET HA 3.50 (# 1978:25 Unique 2.42, 2.77 A)
&rst
ixpk= 1978, nxpk= 25, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 8, 9,
&end
#
# 2 LEU HN 1 MET HA 2.80 (# 1979:25 Unique 2.31, 2.45 A)
&rst
ixpk= 1979, nxpk= 25, iat= 21, 6, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 1 MET HG- 1 MET HA 4.50 (# 1981:25 Unique 2.44, 3.05 A)
&rst
ixpk= 1981, nxpk= 25, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 11, 12,
&end
#
# 1 MET HB+ 1 MET HA 3.50 (# 1982:25 Unique 2.42, 2.77 A)
&rst
ixpk= 1982, nxpk= 25, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 8, 9,
&end
#
# 80 LEU QD- 1 MET HA 5.50 (# 1983:25 Unique 5.16, 8.19 A)
&rst
ixpk= 1983, nxpk= 25, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1264,1265,1266,1268,1269,1270,
&end
#
# 59 ALA HN 59 ALA HA 2.80 (# 1984:25 Unique 2.85, 2.86 A)
&rst
ixpk= 1984, nxpk= 25, iat= 945, 947, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 62 ASN HN 59 ALA HA 5.50 (# 1985:25 Unique 3.36, 3.45 A)
&rst
ixpk= 1985, nxpk= 25, iat= 993, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ASN QB 59 ALA HA 4.50 (# 1986:25 Unique 2.91, 3.22 A)
&rst
ixpk= 1986, nxpk= 25, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 997, 998,
&end
#
# 59 ALA QB 59 ALA HA 2.80 (# 1987:25 Unique 2.40, 2.65 A)
&rst
ixpk= 1987, nxpk= 25, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 949, 950, 951,
&end
#
# 60 VAL HN 59 ALA HA 4.50 (# 1988:25 Unique 3.60, 3.61 A)
&rst
ixpk= 1988, nxpk= 25, iat= 955, 947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 LEU HN 25 ALA HA 4.50 (# 1990:25 Unique 3.14, 3.59 A)
&rst
ixpk= 1990, nxpk= 25, iat= 502, 414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLN HN 25 ALA QB 5.50 (# 1992:25 Unique 4.98, 5.86 A)
&rst
ixpk= 1992, nxpk= 25, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 416, 417, 418,
&end
#
# 22 GLN HE2+ 25 ALA QB 5.50 (# 1993:25 Unique 6.05, 7.50 A)
&rst
ixpk= 1993, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 375, 376,
igr2= 416, 417, 418,
&end
#
# 30 LEU HN 25 ALA QB 5.50 (# 1994:25 Unique 3.56, 4.54 A)
&rst
ixpk= 1994, nxpk= 25, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 416, 417, 418,
&end
#
# 26 ASP HB2 25 ALA QB 5.50 (# 1995:25 Unique 3.88, 5.12 A)
&rst
ixpk= 1995, nxpk= 25, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 416, 417, 418,
&end
#
# 21 VAL QG+ 25 ALA QB 3.50 (# 1997:25 Unique 3.83, 6.87 A)
&rst
ixpk= 1997, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 353, 354, 355, 357, 358, 359,
igr2= 416, 417, 418,
&end
#
# 26 ASP HN 25 ALA QB 2.80 (# 1999:25 Unique 2.52, 3.38 A)
&rst
ixpk= 1999, nxpk= 25, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 416, 417, 418,
&end
#
# 25 ALA HN 25 ALA QB 2.80 (# 2000:25 Unique 2.41, 2.90 A)
&rst
ixpk= 2000, nxpk= 25, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 416, 417, 418,
&end
#
# 0 AMB 25-3:2001 25 ALA QB 5.50 (# 2001:25 Single Ambig)
&rst
ixpk= 2001, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 521, 434, 480,
igr2= 416, 417, 418,
&end
#
# 0 AMB 25-3:2002 25 ALA QB 3.50 (# 2002:25 Single Ambig)
&rst
ixpk= 2002, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 904, 908,1366,
igr2= 416, 417, 418,
&end
#
# 56 PHE QD 25 ALA QB 4.50 (# 2003:25 Unique 4.43, 6.71 A)
&rst
ixpk= 2003, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 902, 910,
igr2= 416, 417, 418,
&end
#
# 86 PHE QD 25 ALA QB 3.50 (# 2004:25 Unique 2.70, 3.86 A)
&rst
ixpk= 2004, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1362,1370,
igr2= 416, 417, 418,
&end
#
# 22 GLN HA 25 ALA QB 5.50 (# 2005:25 Unique 2.41, 3.40 A)
&rst
ixpk= 2005, nxpk= 25, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 416, 417, 418,
&end
#
# 25 ALA HA 25 ALA QB 2.80 (# 2006:25 Unique 2.41, 2.66 A)
&rst
ixpk= 2006, nxpk= 25, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 416, 417, 418,
&end
#
# 86 PHE HB2 25 ALA QB 4.50 (# 2007:25 Unique 2.52, 3.47 A)
&rst
ixpk= 2007, nxpk= 25, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 416, 417, 418,
&end
#
# 30 LEU HG 25 ALA QB 4.50 (# 2010:25 Unique 3.78, 4.71 A)
&rst
ixpk= 2010, nxpk= 25, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 416, 417, 418,
&end
#
# 30 LEU HB2 25 ALA QB 2.80 (# 2011:25 Unique 2.17, 3.15 A)
&rst
ixpk= 2011, nxpk= 25, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 416, 417, 418,
&end
#
# 30 LEU HB3 25 ALA QB 3.50 (# 2012:25 Unique 3.55, 4.56 A)
&rst
ixpk= 2012, nxpk= 25, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 416, 417, 418,
&end
#
# 0 AMB 25-3:2013 25 ALA HA 3.50 (# 2013:25 Single Ambig)
&rst
ixpk= 2013, nxpk= 25, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 902, 910, 456,
&end
#
# 30 LEU HB2 25 ALA HA 3.50 (# 2014:25 Unique 2.33, 2.64 A)
&rst
ixpk= 2014, nxpk= 25, iat= 506, 414, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 ALA QB 25 ALA HA 2.80 (# 2015:25 Unique 2.41, 2.66 A)
&rst
ixpk= 2015, nxpk= 25, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 416, 417, 418,
&end
#
# 56 PHE QE 25 ALA HA 4.50 (# 2016:25 Unique 2.09, 4.63 A)
&rst
ixpk= 2016, nxpk= 25, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 904, 908,
&end
#
# 25 ALA HN 25 ALA HA 3.50 (# 2019:25 Unique 2.80, 2.86 A)
&rst
ixpk= 2019, nxpk= 25, iat= 412, 414, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 LEU HG 25 ALA HA 5.50 (# 2020:25 Unique 2.21, 2.75 A)
&rst
ixpk= 2020, nxpk= 25, iat= 509, 414, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 SER HN 72 ILE QG2 4.50 (# 2022:25 Unique 4.39, 4.97 A)
&rst
ixpk= 2022, nxpk= 25, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1140,1141,1142,
&end
#
# 61 LYS HA 72 ILE QG2 4.50 (# 2023:25 Unique 3.07, 4.62 A)
&rst
ixpk= 2023, nxpk= 25, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1140,1141,1142,
&end
#
# 61 LYS HB+ 72 ILE QG2 3.50 (# 2025:25 Unique 2.24, 3.48 A)
&rst
ixpk= 2025, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 975, 976,
igr2=1140,1141,1142,
&end
#
# 72 ILE HN 72 ILE QG2 3.50 (# 2030:25 Unique 2.55, 3.38 A)
&rst
ixpk= 2030, nxpk= 25, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1140,1141,1142,
&end
#
# 72 ILE HA 72 ILE QG2 3.50 (# 2031:25 Unique 3.18, 3.96 A)
&rst
ixpk= 2031, nxpk= 25, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1140,1141,1142,
&end
#
# 69 VAL HB 72 ILE QG2 5.50 (# 2033:25 Unique 4.66, 6.50 A)
&rst
ixpk= 2033, nxpk= 25, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1140,1141,1142,
&end
#
# 0 AMB 25-3:2035 72 ILE QG2 2.80 (# 2035:25 Single Ambig)
&rst
ixpk= 2035, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1138, 981, 982,
igr2=1140,1141,1142,
&end
#
# 4 TYR QD 6 ILE QD1 3.50 (# 2036:25 Unique 2.85, 4.02 A)
&rst
ixpk= 2036, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 65, 74,
igr2= 115, 116, 117,
&end
#
# 0 AMB 25-3:2037 6 ILE QD1 4.50 (# 2037:25 Single Ambig)
&rst
ixpk= 2037, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 104, 80,
igr2= 115, 116, 117,
&end
#
# 4 TYR HB3 6 ILE QD1 4.50 (# 2038:25 Unique 2.93, 3.98 A)
&rst
ixpk= 2038, nxpk= 25, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 115, 116, 117,
&end
#
# 6 ILE HB 6 ILE QD1 2.80 (# 2040:25 Unique 2.61, 3.34 A)
&rst
ixpk= 2040, nxpk= 25, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 115, 116, 117,
&end
#
# 6 ILE HG1+ 6 ILE QD1 2.80 (# 2041:25 Unique 2.27, 2.64 A)
&rst
ixpk= 2041, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 112, 113,
igr2= 115, 116, 117,
&end
#
# 57 VAL QG+ 6 ILE QD1 2.80 (# 2042:25 Unique 2.23, 3.56 A)
&rst
ixpk= 2042, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 920, 921, 922, 924, 925, 926,
igr2= 115, 116, 117,
&end
#
# 74 VAL QG+ 6 ILE QD1 3.50 (# 2044:25 Unique 2.30, 4.49 A)
&rst
ixpk= 2044, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1170,1171,1172,1174,1175,1176,
igr2= 115, 116, 117,
&end
#
# 4 TYR HB2 6 ILE QD1 5.50 (# 2045:25 Unique 2.23, 3.28 A)
&rst
ixpk= 2045, nxpk= 25, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 115, 116, 117,
&end
#
# 53 LEU QD+ 6 ILE QD1 5.50 (# 2047:25 Unique 4.98, 7.71 A)
&rst
ixpk= 2047, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 856, 857, 858, 860, 861, 862,
igr2= 115, 116, 117,
&end
#
# 0 AMB 25-3:2048 44 ILE QD1 5.50 (# 2048:25 Single Ambig)
&rst
ixpk= 2048, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 713, 714, 351,
igr2= 737, 738, 739,
&end
#
# 17 PHE QD 44 ILE QD1 5.50 (# 2049:25 Unique 4.36, 6.87 A)
&rst
ixpk= 2049, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 270, 278,
igr2= 737, 738, 739,
&end
#
# 0 AMB 25-3:2050 44 ILE QD1 5.50 (# 2050:25 Single Ambig)
&rst
ixpk= 2050, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 65, 74,1366,
igr2= 737, 738, 739,
&end
#
# 44 ILE HA 44 ILE QD1 5.50 (# 2052:25 Unique 3.73, 4.37 A)
&rst
ixpk= 2052, nxpk= 25, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 737, 738, 739,
&end
#
# 0 AMB 25-3:2053 44 ILE QD1 3.50 (# 2053:25 Single Ambig)
&rst
ixpk= 2053, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 728, 106,
igr2= 737, 738, 739,
&end
#
# 0 AMB 25-3:2054 44 ILE QD1 4.50 (# 2054:25 Single Ambig)
&rst
ixpk= 2054, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 112, 113, 203, 286, 287,
igr2= 737, 738, 739,
&end
#
# 34 VAL QG+ 44 ILE QD1 3.50 (# 2055:25 Unique 3.49, 6.41 A)
&rst
ixpk= 2055, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 568, 569, 570, 572, 573, 574,
igr2= 737, 738, 739,
&end
#
# 60 VAL QG2 44 ILE QD1 3.50 (# 2056:25 Unique 3.79, 5.29 A)
&rst
ixpk= 2056, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 965, 966, 967,
igr2= 737, 738, 739,
&end
#
# 44 ILE HN 44 ILE QD1 3.50 (# 2057:25 Unique 2.45, 3.36 A)
&rst
ixpk= 2057, nxpk= 25, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 737, 738, 739,
&end
#
# 17 PHE HZ 44 ILE QD1 4.50 (# 2058:25 Unique 3.07, 4.32 A)
&rst
ixpk= 2058, nxpk= 25, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 737, 738, 739,
&end
#
# 0 AMB 25-3:2059 44 ILE QD1 5.50 (# 2059:25 Single Ambig)
&rst
ixpk= 2059, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 716, 717, 566,
igr2= 737, 738, 739,
&end
#
# 0 AMB 25-3:2060 44 ILE QD1 2.80 (# 2060:25 Single Ambig)
&rst
ixpk= 2060, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 734, 735, 699, 700, 701, 703, 704, 705,
igr2= 737, 738, 739,
&end
#
# 60 VAL QG1 44 ILE QD1 2.80 (# 2061:25 Unique 2.43, 3.66 A)
&rst
ixpk= 2061, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 961, 962, 963,
igr2= 737, 738, 739,
&end
#
# 6 ILE HN 6 ILE QD1 5.50 (# 2062:25 Unique 4.90, 5.34 A)
&rst
ixpk= 2062, nxpk= 25, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 115, 116, 117,
&end
#
# 56 PHE QD 6 ILE QD1 4.50 (# 2064:25 Unique 6.23, 8.59 A)
&rst
ixpk= 2064, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 902, 910,
igr2= 115, 116, 117,
&end
#
# 0 AMB 25-3:2066 72 ILE QD1 5.50 (# 2066:25 Single Ambig)
&rst
ixpk= 2066, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 955,1134,
igr2=1147,1148,1149,
&end
#
# 61 LYS HN 72 ILE QD1 4.50 (# 2067:25 Unique 3.26, 3.96 A)
&rst
ixpk= 2067, nxpk= 25, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1147,1148,1149,
&end
#
# 8 VAL HA 72 ILE QD1 5.50 (# 2068:25 Unique 4.55, 5.34 A)
&rst
ixpk= 2068, nxpk= 25, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1147,1148,1149,
&end
#
# 61 LYS HA 72 ILE QD1 3.50 (# 2070:25 Unique 2.58, 3.71 A)
&rst
ixpk= 2070, nxpk= 25, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1147,1148,1149,
&end
#
# 57 VAL HA 72 ILE QD1 5.50 (# 2071:25 Unique 3.88, 4.71 A)
&rst
ixpk= 2071, nxpk= 25, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1147,1148,1149,
&end
#
# 61 LYS HB+ 72 ILE QD1 2.80 (# 2073:25 Unique 2.24, 3.46 A)
&rst
ixpk= 2073, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 975, 976,
igr2=1147,1148,1149,
&end
#
# 72 ILE HB 72 ILE QD1 2.80 (# 2074:25 Unique 2.47, 3.16 A)
&rst
ixpk= 2074, nxpk= 25, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1147,1148,1149,
&end
#
# 72 ILE HG1+ 72 ILE QD1 2.80 (# 2075:25 Unique 2.38, 2.66 A)
&rst
ixpk= 2075, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1144,1145,
igr2=1147,1148,1149,
&end
#
# 73 SER HN 72 ILE QD1 5.50 (# 2076:25 Unique 4.59, 4.95 A)
&rst
ixpk= 2076, nxpk= 25, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1147,1148,1149,
&end
#
# 72 ILE HA 72 ILE QD1 5.50 (# 2077:25 Unique 4.24, 4.61 A)
&rst
ixpk= 2077, nxpk= 25, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1147,1148,1149,
&end
#
# 19 TYR HB+ 88 ILE QD1 4.50 (# 2081:25 Unique 3.47, 5.01 A)
&rst
ixpk= 2081, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 310, 311,
igr2=1398,1399,1400,
&end
#
# 0 AMB 25-3:2082 88 ILE QD1 4.50 (# 2082:25 Single Ambig)
&rst
ixpk= 2082, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1385,1404,
igr2=1398,1399,1400,
&end
#
# 19 TYR QD 88 ILE QD1 4.50 (# 2084:25 Unique 2.70, 5.27 A)
&rst
ixpk= 2084, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 314, 323,
igr2=1398,1399,1400,
&end
#
# 19 TYR HA 88 ILE QD1 2.80 (# 2086:25 Unique 2.26, 3.19 A)
&rst
ixpk= 2086, nxpk= 25, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1398,1399,1400,
&end
#
# 22 GLN QG 88 ILE QD1 3.50 (# 2087:25 Unique 2.41, 4.01 A)
&rst
ixpk= 2087, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 370, 371,
igr2=1398,1399,1400,
&end
#
# 22 GLN HB3 88 ILE QD1 3.50 (# 2088:25 Unique 2.36, 3.51 A)
&rst
ixpk= 2088, nxpk= 25, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1398,1399,1400,
&end
#
# 88 ILE HG1- 88 ILE QD1 2.80 (# 2089:25 Unique 2.39, 2.66 A)
&rst
ixpk= 2089, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1395,1396,
igr2=1398,1399,1400,
&end
#
# 88 ILE HB 88 ILE QD1 2.80 (# 2090:25 Unique 2.40, 3.07 A)
&rst
ixpk= 2090, nxpk= 25, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1398,1399,1400,
&end
#
# 34 VAL QG+ 88 ILE QD1 5.50 (# 2092:25 Unique 2.41, 6.61 A)
&rst
ixpk= 2092, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 568, 569, 570, 572, 573, 574,
igr2=1398,1399,1400,
&end
#
# 88 ILE HG1+ 88 ILE QD1 2.80 (# 2093:25 Unique 2.39, 2.66 A)
&rst
ixpk= 2093, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1395,1396,
igr2=1398,1399,1400,
&end
#
# 88 ILE QG2 88 ILE QD1 2.80 (# 2094:25 Unique 2.18, 3.85 A)
&rst
ixpk= 2094, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1391,1392,1393,
igr2=1398,1399,1400,
&end
#
# 62 ASN QB 65 PRO HD+ 4.50 (# 2098:25 Unique 6.56, 8.04 A)
&rst
ixpk= 2098, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 997, 998,
igr2=1026,1027,
&end
#
# 65 PRO QG 65 PRO HD+ 3.50 (# 2099:25 Unique 2.32, 2.61 A)
&rst
ixpk= 2099, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1029,1030,
igr2=1026,1027,
&end
#
# 65 PRO HB- 65 PRO HD+ 5.50 (# 2100:25 Unique 2.85, 3.69 A)
&rst
ixpk= 2100, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1032,1033,
igr2=1026,1027,
&end
#
# 64 SER HA 65 PRO HD- 2.80 (# 2101:25 Unique 2.10, 2.51 A)
&rst
ixpk= 2101, nxpk= 25, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1026,1027,
&end
#
# 65 PRO HB+ 65 PRO HD- 5.50 (# 2102:25 Unique 2.85, 3.69 A)
&rst
ixpk= 2102, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1032,1033,
igr2=1026,1027,
&end
#
# 65 PRO QG 65 PRO HD- 2.80 (# 2103:25 Unique 2.32, 2.61 A)
&rst
ixpk= 2103, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1029,1030,
igr2=1026,1027,
&end
#
# 64 SER HB- 65 PRO HD- 4.50 (# 2104:25 Unique 2.21, 3.20 A)
&rst
ixpk= 2104, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1018,1019,
igr2=1026,1027,
&end
#
# 65 PRO HB- 65 PRO HD- 4.50 (# 2105:25 Unique 2.85, 3.69 A)
&rst
ixpk= 2105, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1032,1033,
igr2=1026,1027,
&end
#
# 65 PRO HB+ 65 PRO HD+ 5.50 (# 2106:25 Unique 2.85, 3.69 A)
&rst
ixpk= 2106, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1032,1033,
igr2=1026,1027,
&end
#
# 0 AMB 25-3:2108 7 ILE QD1 4.50 (# 2108:25 Single Ambig)
&rst
ixpk= 2108, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 724, 140,
igr2= 134, 135, 136,
&end
#
# 43 GLU HG+ 7 ILE QD1 3.50 (# 2109:25 Unique 2.30, 3.87 A)
&rst
ixpk= 2109, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 716, 717,
igr2= 134, 135, 136,
&end
#
# 43 GLU HB- 7 ILE QD1 4.50 (# 2110:25 Unique 2.56, 4.62 A)
&rst
ixpk= 2110, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 713, 714,
igr2= 134, 135, 136,
&end
#
# 7 ILE HB 7 ILE QD1 4.50 (# 2111:25 Unique 2.56, 3.66 A)
&rst
ixpk= 2111, nxpk= 25, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 134, 135, 136,
&end
#
# 5 ARG HG+ 7 ILE QD1 4.50 (# 2112:25 Unique 2.83, 4.68 A)
&rst
ixpk= 2112, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 85, 86,
igr2= 134, 135, 136,
&end
#
# 43 GLU HA 7 ILE QD1 3.50 (# 2113:25 Unique 2.52, 3.98 A)
&rst
ixpk= 2113, nxpk= 25, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 134, 135, 136,
&end
#
# 7 ILE HA 7 ILE QD1 3.50 (# 2114:25 Unique 2.45, 3.56 A)
&rst
ixpk= 2114, nxpk= 25, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 134, 135, 136,
&end
#
# 37 ARG HD+ 7 ILE QD1 5.50 (# 2116:25 Unique 2.35, 4.86 A)
&rst
ixpk= 2116, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 624, 625,
igr2= 134, 135, 136,
&end
#
# 43 GLU HB+ 7 ILE QD1 4.50 (# 2118:25 Unique 2.56, 4.62 A)
&rst
ixpk= 2118, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 713, 714,
igr2= 134, 135, 136,
&end
#
# 5 ARG HG- 7 ILE QD1 2.80 (# 2119:25 Unique 2.83, 4.68 A)
&rst
ixpk= 2119, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 85, 86,
igr2= 134, 135, 136,
&end
#
# 37 ARG HD- 7 ILE QD1 5.50 (# 2120:25 Unique 2.35, 4.86 A)
&rst
ixpk= 2120, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 624, 625,
igr2= 134, 135, 136,
&end
#
# 0 AMB 25-3:2121 0 AMB 25-1:2121 2.80 (# 2121:25 Double Ambig)
&rst
ixpk= 2121, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 789, 790, 789, 790,
igr2= 795, 796, 795, 796,
&end
#
# 49 PRO HG+ 49 PRO HD+ 3.50 (# 2124:25 Unique 2.28, 2.60 A)
&rst
ixpk= 2124, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 798, 799,
igr2= 795, 796,
&end
#
# 49 PRO HB- 49 PRO HD+ 5.50 (# 2125:25 Unique 2.92, 3.76 A)
&rst
ixpk= 2125, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 801, 802,
igr2= 795, 796,
&end
#
# 52 ALA QB 49 PRO HD+ 4.50 (# 2127:25 Unique 2.63, 4.51 A)
&rst
ixpk= 2127, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 841, 842, 843,
igr2= 795, 796,
&end
#
# 30 LEU QD- 49 PRO HD+ 4.50 (# 2128:25 Unique 2.22, 4.65 A)
&rst
ixpk= 2128, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 511, 512, 513, 515, 516, 517,
igr2= 795, 796,
&end
#
# 0 AMB 25-3:2129 49 PRO HD- 3.50 (# 2129:25 Single Ambig)
&rst
ixpk= 2129, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 789, 790, 789, 790,
igr2= 795, 796,
&end
#
# 49 PRO HG+ 49 PRO HD- 3.50 (# 2131:25 Unique 2.28, 2.60 A)
&rst
ixpk= 2131, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 798, 799,
igr2= 795, 796,
&end
#
# 49 PRO HB- 49 PRO HD- 5.50 (# 2132:25 Unique 2.92, 3.76 A)
&rst
ixpk= 2132, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 801, 802,
igr2= 795, 796,
&end
#
# 0 AMB 25-3:2133 49 PRO HD- 3.50 (# 2133:25 Single Ambig)
&rst
ixpk= 2133, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 841, 842, 843, 851,
igr2= 795, 796,
&end
#
# 30 LEU QD- 49 PRO HD- 4.50 (# 2134:25 Unique 2.22, 4.65 A)
&rst
ixpk= 2134, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 511, 512, 513, 515, 516, 517,
igr2= 795, 796,
&end
#
# 3 GLN HE2- 3 GLN HG+ 5.50 (# 2137:25 Unique 2.46, 3.54 A)
&rst
ixpk= 2137, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 52, 53,
igr2= 47, 48,
&end
#
# 51 ASN HA 54 GLN HG+ 5.50 (# 2138:25 Unique 3.56, 3.85 A)
&rst
ixpk= 2138, nxpk= 25, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 873, 874,
&end
#
# 51 ASN HA 54 GLN HG- 5.50 (# 2139:25 Unique 3.56, 3.85 A)
&rst
ixpk= 2139, nxpk= 25, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 873, 874,
&end
#
# 54 GLN HE2- 54 GLN HG+ 4.50 (# 2140:25 Unique 2.15, 3.29 A)
&rst
ixpk= 2140, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 878, 879,
igr2= 873, 874,
&end
#
# 55 SER HN 54 GLN HG- 5.50 (# 2142:25 Unique 4.53, 4.86 A)
&rst
ixpk= 2142, nxpk= 25, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 873, 874,
&end
#
# 75 THR HB 5 ARG HB2 4.50 (# 2144:25 Unique 3.74, 3.87 A)
&rst
ixpk= 2144, nxpk= 25, iat=1184, 82, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 LEU QD- 28 ARG HB2 5.50 (# 2145:25 Unique 3.91, 5.23 A)
&rst
ixpk= 2145, nxpk= 25, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 511, 512, 513, 515, 516, 517,
&end
#
# 0 AMB 25-3:2147 0 AMB 25-1:2147 5.50 (# 2147:25 Double Ambig)
&rst
ixpk= 2147, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 30, 31, 32, 34, 35, 36, 30, 31, 32, 34,
35, 36,
igr2=1224,1225,1224,1225,
&end
#
# 76 GLU HN 76 GLU HA 3.50 (# 2149:25 Unique 2.93, 2.97 A)
&rst
ixpk= 2149, nxpk= 25, iat=1194,1196, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 SER HN 76 GLU HA 2.80 (# 2150:25 Unique 2.23, 2.31 A)
&rst
ixpk= 2150, nxpk= 25, iat=1209,1196, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 ILE HN 43 GLU HA 2.80 (# 2151:25 Unique 2.17, 2.18 A)
&rst
ixpk= 2151, nxpk= 25, iat= 724, 711, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 ILE HA 43 GLU HA 4.50 (# 2152:25 Unique 2.29, 2.38 A)
&rst
ixpk= 2152, nxpk= 25, iat= 123, 711, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2154 0 AMB 25-1:2154 3.50 (# 2154:25 Double Ambig)
&rst
ixpk= 2154, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 713, 714,1198,1199,
igr2= 711,1196,
&end
#
# 0 AMB 25-3:2155 0 AMB 25-1:2155 5.50 (# 2155:25 Double Ambig)
&rst
ixpk= 2155, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 673, 674,1227,1228,
igr2= 711,1196,
&end
#
# 0 AMB 25-3:2156 0 AMB 25-1:2156 5.50 (# 2156:25 Double Ambig)
&rst
ixpk= 2156, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1=1186,1187,1188, 568, 569, 570, 572, 573, 574, 588,
589,
igr2=1196, 711,
&end
#
# 0 AMB 25-3:2157 43 GLU HA 5.50 (# 2157:25 Single Ambig)
&rst
ixpk= 2157, nxpk= 25, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 699, 700, 701, 703, 704, 705, 585, 586,
&end
#
# 0 AMB 25-3:2158 43 GLU HA 5.50 (# 2158:25 Single Ambig)
&rst
ixpk= 2158, nxpk= 25, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 134, 135, 136, 127, 128, 129,
&end
#
# 81 GLU HN 80 LEU HA 4.50 (# 2159:25 Unique 2.14, 2.55 A)
&rst
ixpk= 2159, nxpk= 25, iat=1274,1257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 LEU QD- 80 LEU HA 4.50 (# 2160:25 Unique 2.06, 3.65 A)
&rst
ixpk= 2160, nxpk= 25, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1264,1265,1266,1268,1269,1270,
&end
#
# 52 ALA QB 52 ALA HA 2.80 (# 2161:25 Unique 2.41, 2.66 A)
&rst
ixpk= 2161, nxpk= 25, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 841, 842, 843,
&end
#
# 0 AMB 25-3:2162 52 ALA HA 5.50 (# 2162:25 Single Ambig)
&rst
ixpk= 2162, nxpk= 25, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 904, 908, 832, 833,
&end
#
# 80 LEU HN 80 LEU HA 4.50 (# 2163:25 Unique 2.10, 2.47 A)
&rst
ixpk= 2163, nxpk= 25, iat=1255,1257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2164 0 AMB 25-1:2164 4.50 (# 2164:25 Double Ambig)
&rst
ixpk= 2164, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 52, 53, 823,
igr2=1257, 839,
&end
#
# 46 ALA QB 46 ALA HA 3.50 (# 2165:25 Unique 2.35, 2.66 A)
&rst
ixpk= 2165, nxpk= 25, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 766, 767, 768,
&end
#
# 0 AMB 25-3:2166 46 ALA HA 5.50 (# 2166:25 Single Ambig)
&rst
ixpk= 2166, nxpk= 25, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 730, 731, 732, 750,
&end
#
# 0 AMB 25-3:2168 46 ALA HA 4.50 (# 2168:25 Single Ambig)
&rst
ixpk= 2168, nxpk= 25, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1281,1282, 566, 716, 717,
&end
#
# 32 GLY HA- 46 ALA HA 5.50 (# 2169:25 Unique 2.16, 3.00 A)
&rst
ixpk= 2169, nxpk= 25, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 533, 534,
&end
#
# 47 GLU HN 46 ALA HA 2.80 (# 2170:25 Unique 2.22, 2.25 A)
&rst
ixpk= 2170, nxpk= 25, iat= 772, 764, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 26 ASP HA 29 LYS HA 4.50 (# 2172:25 Unique 2.61, 2.99 A)
&rst
ixpk= 2172, nxpk= 25, iat= 424, 482, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 TYR HN 3 GLN HA 2.80 (# 2173:25 Unique 2.30, 2.35 A)
&rst
ixpk= 2173, nxpk= 25, iat= 57, 42, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 3 GLN HB3 3 GLN HA 4.50 (# 2175:25 Unique 3.01, 3.03 A)
&rst
ixpk= 2175, nxpk= 25, iat= 45, 42, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 ARG HN 4 TYR HA 2.80 (# 2176:25 Unique 2.27, 2.30 A)
&rst
ixpk= 2176, nxpk= 25, iat= 78, 59, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 TYR QD 4 TYR HA 4.50 (# 2177:25 Unique 4.03, 4.29 A)
&rst
ixpk= 2177, nxpk= 25, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 65, 74,
&end
#
# 76 GLU HA 4 TYR HA 3.50 (# 2178:25 Unique 1.98, 2.09 A)
&rst
ixpk= 2178, nxpk= 25, iat=1196, 59, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 TYR HB3 4 TYR HA 5.50 (# 2179:25 Unique 2.38, 2.41 A)
&rst
ixpk= 2179, nxpk= 25, iat= 62, 59, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 ILE HN 5 ARG HA 3.50 (# 2180:25 Unique 2.25, 2.28 A)
&rst
ixpk= 2180, nxpk= 25, iat= 102, 80, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:2182 5 ARG HA 3.50 (# 2182:25 Single Ambig)
&rst
ixpk= 2182, nxpk= 25, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 83, 728,
&end
#
# 5 ARG HG- 5 ARG HA 4.50 (# 2183:25 Unique 2.37, 2.72 A)
&rst
ixpk= 2183, nxpk= 25, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 85, 86,
&end
#
# 7 ILE HN 6 ILE HA 2.80 (# 2184:25 Unique 2.21, 2.24 A)
&rst
ixpk= 2184, nxpk= 25, iat= 121, 104, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 VAL HA 6 ILE HA 4.50 (# 2185:25 Unique 2.46, 2.50 A)
&rst
ixpk= 2185, nxpk= 25, iat=1166, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 ILE QD1 6 ILE HA 4.50 (# 2186:25 Unique 3.36, 4.52 A)
&rst
ixpk= 2186, nxpk= 25, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 134, 135, 136,
&end
#
# 0 AMB 25-3:2187 7 ILE HA 2.80 (# 2187:25 Single Ambig)
&rst
ixpk= 2187, nxpk= 25, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 127, 128, 129, 134, 135, 136,
&end
#
# 8 VAL HN 7 ILE HA 2.80 (# 2189:25 Unique 2.25, 2.29 A)
&rst
ixpk= 2189, nxpk= 25, iat= 140, 123, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-3:2190 9 ASP HA 2.80 (# 2190:25 Single Ambig)
&rst
ixpk= 2190, nxpk= 25, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 168, 156,
&end
#
# 9 ASP HB2 9 ASP HA 4.50 (# 2191:25 Unique 2.55, 2.59 A)
&rst
ixpk= 2191, nxpk= 25, iat= 160, 158, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 GLY HN 40 GLY HA+ 4.50 (# 2193:25 Unique 2.29, 2.68 A)
&rst
ixpk= 2193, nxpk= 25, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 664, 665,
&end
#
# 19 TYR HB+ 16 GLY QA 5.50 (# 2196:25 Unique 3.42, 3.99 A)
&rst
ixpk= 2196, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 310, 311,
igr2= 257, 258,
&end
#
# 17 PHE HB- 17 PHE HA 4.50 (# 2197:25 Unique 2.47, 2.77 A)
&rst
ixpk= 2197, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 266, 267,
&end
#
# 20 PHE HB- 17 PHE HA 4.50 (# 2198:25 Unique 2.41, 3.09 A)
&rst
ixpk= 2198, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 331, 332,
&end
#
# 20 PHE HB+ 17 PHE HA 4.50 (# 2199:25 Unique 2.41, 3.09 A)
&rst
ixpk= 2199, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 331, 332,
&end
#
# 17 PHE QD 17 PHE HA 4.50 (# 2200:25 Unique 3.21, 3.59 A)
&rst
ixpk= 2200, nxpk= 25, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 270, 278,
&end
#
# 19 TYR QD 19 TYR HA 3.50 (# 2201:25 Unique 2.75, 3.50 A)
&rst
ixpk= 2201, nxpk= 25, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 314, 323,
&end
#
# 19 TYR HB+ 19 TYR HA 2.80 (# 2202:25 Unique 2.46, 2.76 A)
&rst
ixpk= 2202, nxpk= 25, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 310, 311,
&end
#
# 0 AMB 25-3:2203 55 SER HA 4.50 (# 2203:25 Single Ambig)
&rst
ixpk= 2203, nxpk= 25, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 937, 938, 937, 938,
&end
#
# 22 GLN HB3 19 TYR HA 4.50 (# 2204:25 Unique 2.29, 2.37 A)
&rst
ixpk= 2204, nxpk= 25, iat= 368, 308, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 ILE QD1 19 TYR HA 3.50 (# 2205:25 Unique 2.26, 3.19 A)
&rst
ixpk= 2205, nxpk= 25, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1398,1399,1400,
&end
#
# 0 AMB 25-3:2207 0 AMB 25-1:2207 3.50 (# 2207:25 Double Ambig)
&rst
ixpk= 2207, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 883, 327,
igr2= 885, 329,
&end
#
# 20 PHE HB+ 20 PHE HA 3.50 (# 2208:25 Unique 2.36, 2.74 A)
&rst
ixpk= 2208, nxpk= 25, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 331, 332,
&end
#
# 21 VAL HN 20 PHE HA 4.50 (# 2210:25 Unique 3.61, 3.62 A)
&rst
ixpk= 2210, nxpk= 25, iat= 347, 329, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ARG HN 28 ARG HA 4.50 (# 2211:25 Unique 2.96, 2.98 A)
&rst
ixpk= 2211, nxpk= 25, iat= 456, 458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2212 28 ARG HA 3.50 (# 2212:25 Single Ambig)
&rst
ixpk= 2212, nxpk= 25, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 461, 463, 464,
&end
#
# 27 LYS QD 28 ARG HA 4.50 (# 2213:25 Unique 4.83, 6.34 A)
&rst
ixpk= 2213, nxpk= 25, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 444, 445,
&end
#
# 28 ARG HB2 28 ARG HA 4.50 (# 2214:25 Unique 2.37, 2.42 A)
&rst
ixpk= 2214, nxpk= 25, iat= 460, 458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 LEU QD- 30 LEU HA 4.50 (# 2215:25 Unique 2.20, 3.78 A)
&rst
ixpk= 2215, nxpk= 25, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 511, 512, 513, 515, 516, 517,
&end
#
# 30 LEU HN 30 LEU HA 4.50 (# 2216:25 Unique 2.86, 2.88 A)
&rst
ixpk= 2216, nxpk= 25, iat= 502, 504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 ALA HN 30 LEU HA 3.50 (# 2217:25 Unique 2.40, 2.46 A)
&rst
ixpk= 2217, nxpk= 25, iat= 521, 504, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 GLY HN 31 ALA HA 3.50 (# 2220:25 Unique 2.41, 2.45 A)
&rst
ixpk= 2220, nxpk= 25, iat= 531, 523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ALA QB 31 ALA HA 4.50 (# 2221:25 Unique 2.38, 2.66 A)
&rst
ixpk= 2221, nxpk= 25, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 525, 526, 527,
&end
#
# 86 PHE HB2 31 ALA HA 5.50 (# 2222:25 Unique 2.54, 2.74 A)
&rst
ixpk= 2222, nxpk= 25, iat=1358, 523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 TRP HN 32 GLY HA+ 4.50 (# 2223:25 Unique 2.29, 2.62 A)
&rst
ixpk= 2223, nxpk= 25, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 533, 534,
&end
#
# 83 HIS HB2 32 GLY HA- 4.50 (# 2226:25 Unique 3.14, 5.36 A)
&rst
ixpk= 2226, nxpk= 25, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 533, 534,
&end
#
# 0 AMB 25-3:2227 34 VAL HA 5.50 (# 2227:25 Single Ambig)
&rst
ixpk= 2227, nxpk= 25, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 743,1404,
&end
#
# 33 TRP HD1 34 VAL HA 4.50 (# 2228:25 Unique 2.60, 2.70 A)
&rst
ixpk= 2228, nxpk= 25, iat= 546, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ILE HA 34 VAL HA 4.50 (# 2229:25 Unique 2.27, 2.33 A)
&rst
ixpk= 2229, nxpk= 25, iat= 726, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 VAL HB 34 VAL HA 4.50 (# 2230:25 Unique 2.41, 2.44 A)
&rst
ixpk= 2230, nxpk= 25, iat= 566, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2231 34 VAL HA 4.50 (# 2231:25 Single Ambig)
&rst
ixpk= 2231, nxpk= 25, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 568, 569, 570, 572, 573, 574, 730, 731, 732, 734,
735,
&end
#
# 35 LYS HN 34 VAL HA 3.50 (# 2232:25 Unique 2.21, 2.23 A)
&rst
ixpk= 2232, nxpk= 25, iat= 578, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ARG HN 36 ASN HA 3.50 (# 2233:25 Unique 2.15, 2.22 A)
&rst
ixpk= 2233, nxpk= 25, iat= 614, 602, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 ASN HB+ 36 ASN HA 4.50 (# 2234:25 Unique 2.25, 2.62 A)
&rst
ixpk= 2234, nxpk= 25, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 604, 605,
&end
#
# 69 VAL HN 68 LYS HA 3.50 (# 2238:25 Unique 2.17, 2.24 A)
&rst
ixpk= 2238, nxpk= 25, iat=1092,1072, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 ASP QB 38 ASP HA 2.80 (# 2239:25 Unique 2.44, 2.74 A)
&rst
ixpk= 2239, nxpk= 25, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 642, 643,
&end
#
# 68 LYS QB 68 LYS HA 2.80 (# 2240:25 Unique 2.42, 2.77 A)
&rst
ixpk= 2240, nxpk= 25, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1074,1075,
&end
#
# 68 LYS HG+ 68 LYS HA 4.50 (# 2241:25 Unique 2.44, 2.95 A)
&rst
ixpk= 2241, nxpk= 25, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1077,1078,
&end
#
# 32 GLY HA+ 46 ALA HA 5.50 (# 2243:25 Unique 2.16, 3.00 A)
&rst
ixpk= 2243, nxpk= 25, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 533, 534,
&end
#
# 4 TYR HA 76 GLU HA 3.50 (# 2245:25 Unique 1.98, 2.09 A)
&rst
ixpk= 2245, nxpk= 25, iat= 59,1196, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 GLU QG 47 GLU HA 4.50 (# 2250:25 Unique 2.51, 2.95 A)
&rst
ixpk= 2250, nxpk= 25, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 779, 780,
&end
#
# 48 GLY HN 48 GLY HA+ 4.50 (# 2252:25 Unique 2.65, 2.83 A)
&rst
ixpk= 2252, nxpk= 25, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 789, 790,
&end
#
# 49 PRO HD- 48 GLY HA- 3.50 (# 2253:25 Unique 2.22, 2.80 A)
&rst
ixpk= 2253, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 795, 796,
igr2= 789, 790,
&end
#
# 49 PRO HB- 49 PRO HA 4.50 (# 2254:25 Unique 2.29, 2.53 A)
&rst
ixpk= 2254, nxpk= 25, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 801, 802,
&end
#
# 0 AMB 25-3:2255 49 PRO HA 4.50 (# 2255:25 Single Ambig)
&rst
ixpk= 2255, nxpk= 25, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 801, 802, 11, 12,
&end
#
# 52 ALA HN 51 ASN HA 4.50 (# 2256:25 Unique 3.52, 3.56 A)
&rst
ixpk= 2256, nxpk= 25, iat= 837, 825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 ASN QB 51 ASN HA 3.50 (# 2257:25 Unique 2.44, 2.76 A)
&rst
ixpk= 2257, nxpk= 25, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 827, 828,
&end
#
# 54 GLN HB3 51 ASN HA 4.50 (# 2258:25 Unique 4.51, 4.56 A)
&rst
ixpk= 2258, nxpk= 25, iat= 871, 825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 GLN HB2 51 ASN HA 5.50 (# 2259:25 Unique 2.86, 2.96 A)
&rst
ixpk= 2259, nxpk= 25, iat= 870, 825, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ALA HN 52 ALA HA 4.50 (# 2260:25 Unique 2.86, 2.89 A)
&rst
ixpk= 2260, nxpk= 25, iat= 837, 839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 LYS HG- 68 LYS HA 4.50 (# 2262:25 Unique 2.44, 2.95 A)
&rst
ixpk= 2262, nxpk= 25, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1077,1078,
&end
#
# 70 THR HB 70 THR HA 3.50 (# 2263:25 Unique 2.47, 2.48 A)
&rst
ixpk= 2263, nxpk= 25, iat=1112,1110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 THR QG2 70 THR HA 3.50 (# 2264:25 Unique 2.44, 3.10 A)
&rst
ixpk= 2264, nxpk= 25, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1114,1115,1116,
&end
#
# 73 SER HN 72 ILE HA 3.50 (# 2265:25 Unique 2.22, 2.24 A)
&rst
ixpk= 2265, nxpk= 25, iat=1153,1136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 VAL HA 72 ILE HA 4.50 (# 2266:25 Unique 2.24, 2.28 A)
&rst
ixpk= 2266, nxpk= 25, iat= 142,1136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 HIS HN 83 HIS HA 3.50 (# 2267:25 Unique 2.64, 2.86 A)
&rst
ixpk= 2267, nxpk= 25, iat=1296,1298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 HIS HB2 83 HIS HA 4.50 (# 2269:25 Unique 2.41, 2.51 A)
&rst
ixpk= 2269, nxpk= 25, iat=1300,1298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 HIS HB3 83 HIS HA 4.50 (# 2270:25 Unique 2.31, 2.90 A)
&rst
ixpk= 2270, nxpk= 25, iat=1301,1298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 GLY HN 86 PHE HA 3.50 (# 2271:25 Unique 2.21, 2.32 A)
&rst
ixpk= 2271, nxpk= 25, iat= 531,1356, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 SER HN 86 PHE HA 3.50 (# 2272:25 Unique 2.18, 2.22 A)
&rst
ixpk= 2272, nxpk= 25, iat=1374,1356, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ALA HA 86 PHE HA 4.50 (# 2273:25 Unique 2.71, 2.99 A)
&rst
ixpk= 2273, nxpk= 25, iat= 523,1356, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2274 88 ILE HA 3.50 (# 2274:25 Single Ambig)
&rst
ixpk= 2274, nxpk= 25, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1404,1385,
&end
#
# 34 VAL QG+ 88 ILE HA 4.50 (# 2275:25 Unique 2.32, 4.23 A)
&rst
ixpk= 2275, nxpk= 25, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 568, 569, 570, 572, 573, 574,
&end
#
# 88 ILE QG2 88 ILE HA 4.50 (# 2276:25 Unique 2.42, 3.15 A)
&rst
ixpk= 2276, nxpk= 25, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1391,1392,1393,
&end
#
# 90 TYR HB2 90 TYR HA 4.50 (# 2277:25 Unique 2.47, 2.49 A)
&rst
ixpk= 2277, nxpk= 25, iat=1424,1422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 SER QB 91 SER HA 3.50 (# 2278:25 Unique 2.40, 2.73 A)
&rst
ixpk= 2278, nxpk= 25, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1445,1446,
&end
#
# 11 ARG HG- 15 VAL QG+ 3.50 (# 2280:25 Unique 2.26, 3.79 A)
&rst
ixpk= 2280, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 182, 183,
igr2= 245, 246, 247, 249, 250, 251,
&end
#
# 21 VAL QG+ 18 ARG HA 5.50 (# 2281:25 Unique 3.74, 4.77 A)
&rst
ixpk= 2281, nxpk= 25, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 353, 354, 355, 357, 358, 359,
&end
#
# 88 ILE HG1- 18 ARG HA 5.50 (# 2282:25 Unique 3.99, 5.07 A)
&rst
ixpk= 2282, nxpk= 25, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1395,1396,
&end
#
# 88 ILE QG2 18 ARG HB+ 5.50 (# 2283:25 Unique 2.28, 3.57 A)
&rst
ixpk= 2283, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1391,1392,1393,
igr2= 286, 287,
&end
#
# 88 ILE QD1 18 ARG HB+ 4.50 (# 2284:25 Unique 2.32, 4.52 A)
&rst
ixpk= 2284, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1398,1399,1400,
igr2= 286, 287,
&end
#
# 34 VAL QG+ 18 ARG HB+ 5.50 (# 2285:25 Unique 2.28, 4.41 A)
&rst
ixpk= 2285, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 568, 569, 570, 572, 573, 574,
igr2= 286, 287,
&end
#
# 55 SER HB- 55 SER HA 4.50 (# 2288:25 Unique 2.42, 2.75 A)
&rst
ixpk= 2288, nxpk= 25, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 887, 888,
&end
#
# 7 ILE QG2 41 ARG QB 3.50 (# 2293:25 Unique 2.20, 3.23 A)
&rst
ixpk= 2293, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 127, 128, 129,
igr2= 673, 674,
&end
#
# 60 VAL QG2 59 ALA QB 4.50 (# 2294:25 Unique 3.29, 5.49 A)
&rst
ixpk= 2294, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 965, 966, 967,
igr2= 949, 950, 951,
&end
#
# 58 GLU QB 59 ALA QB 5.50 (# 2296:25 Unique 4.39, 5.67 A)
&rst
ixpk= 2296, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 934, 935,
igr2= 949, 950, 951,
&end
#
# 62 ASN QB 59 ALA QB 5.50 (# 2297:25 Unique 4.25, 5.48 A)
&rst
ixpk= 2297, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 997, 998,
igr2= 949, 950, 951,
&end
#
# 56 PHE HA 59 ALA QB 3.50 (# 2299:25 Unique 2.48, 3.32 A)
&rst
ixpk= 2299, nxpk= 25, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 949, 950, 951,
&end
#
# 59 ALA HA 59 ALA QB 2.80 (# 2300:25 Unique 2.40, 2.65 A)
&rst
ixpk= 2300, nxpk= 25, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 949, 950, 951,
&end
#
# 56 PHE QD 59 ALA QB 4.50 (# 2302:25 Unique 2.38, 5.68 A)
&rst
ixpk= 2302, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 902, 910,
igr2= 949, 950, 951,
&end
#
# 59 ALA HN 59 ALA QB 2.80 (# 2305:25 Unique 2.46, 2.89 A)
&rst
ixpk= 2305, nxpk= 25, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 949, 950, 951,
&end
#
# 60 VAL HN 59 ALA QB 3.50 (# 2306:25 Unique 2.58, 3.44 A)
&rst
ixpk= 2306, nxpk= 25, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 949, 950, 951,
&end
#
# 49 PRO HG- 48 GLY HA+ 5.50 (# 2307:25 Unique 4.37, 4.86 A)
&rst
ixpk= 2307, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 798, 799,
igr2= 789, 790,
&end
#
# 49 PRO HD+ 48 GLY HA+ 3.50 (# 2308:25 Unique 2.22, 2.80 A)
&rst
ixpk= 2308, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 795, 796,
igr2= 789, 790,
&end
#
# 89 VAL QG- 35 LYS HD- 5.50 (# 2311:25 Unique 3.44, 5.75 A)
&rst
ixpk= 2311, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1410,1411,1412,1414,1415,1416,
igr2= 588, 589,
&end
#
# 89 VAL QG- 35 LYS HD+ 5.50 (# 2312:25 Unique 3.44, 5.75 A)
&rst
ixpk= 2312, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1410,1411,1412,1414,1415,1416,
igr2= 588, 589,
&end
#
# 64 SER HA 65 PRO HD+ 3.50 (# 2315:25 Unique 2.10, 2.51 A)
&rst
ixpk= 2315, nxpk= 25, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1026,1027,
&end
#
# 66 PHE HN 66 PHE HB- 5.50 (# 2316:25 Unique 2.55, 3.07 A)
&rst
ixpk= 2316, nxpk= 25, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1043,1044,
&end
#
# 19 TYR QD 16 GLY QA 5.50 (# 2320:25 Unique 4.84, 6.04 A)
&rst
ixpk= 2320, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 314, 323,
igr2= 257, 258,
&end
#
# 13 GLN HN 0 AMB 25-1:2321 5.50 (# 2321:25 Single Ambig)
&rst
ixpk= 2321, nxpk= 25, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 222, 223, 243,
&end
#
# 15 VAL HB 15 VAL HA 4.50 (# 2322:25 Unique 2.52, 2.57 A)
&rst
ixpk= 2322, nxpk= 25, iat= 243, 241, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LEU HB2 53 LEU HA 4.50 (# 2323:25 Unique 2.23, 2.99 A)
&rst
ixpk= 2323, nxpk= 25, iat= 851, 849, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2325 56 PHE HB3 5.50 (# 2325:25 Single Ambig)
&rst
ixpk= 2325, nxpk= 25, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 920, 921, 922, 924, 925, 926, 509,
&end
#
# 89 VAL QG+ 35 LYS HE+ 5.50 (# 2326:25 Unique 2.32, 4.75 A)
&rst
ixpk= 2326, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1410,1411,1412,1414,1415,1416,
igr2= 591, 592,
&end
#
# 89 VAL QG+ 35 LYS HE- 5.50 (# 2327:25 Unique 2.32, 4.75 A)
&rst
ixpk= 2327, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1410,1411,1412,1414,1415,1416,
igr2= 591, 592,
&end
#
# 46 ALA HN 3 GLN HG+ 5.50 (# 2328:25 Unique 3.80, 4.22 A)
&rst
ixpk= 2328, nxpk= 25, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 47, 48,
&end
#
# 75 THR HA 76 GLU QG 5.50 (# 2329:25 Unique 3.89, 4.91 A)
&rst
ixpk= 2329, nxpk= 25, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1201,1202,
&end
#
# 65 PRO HD+ 64 SER HA 3.50 (# 2330:25 Unique 2.10, 2.51 A)
&rst
ixpk= 2330, nxpk= 25, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1026,1027,
&end
#
# 39 ASP HN 39 ASP HB2 5.50 (# 2331:25 Unique 2.34, 2.85 A)
&rst
ixpk= 2331, nxpk= 25, iat= 650, 654, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2332 27 LYS HE- 5.50 (# 2332:25 Single Ambig)
&rst
ixpk= 2332, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 883, 945, 502,
igr2= 447, 448,
&end
#
# 65 PRO HD+ 64 SER HB+ 4.50 (# 2333:25 Unique 2.21, 3.20 A)
&rst
ixpk= 2333, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1026,1027,
igr2=1018,1019,
&end
#
# 79 SER HA 79 SER HB3 2.80 (# 2334:25 Unique 2.32, 2.38 A)
&rst
ixpk= 2334, nxpk= 25, iat=1246,1249, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
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