NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
27097 |
2ozx   |
6625 | cing | 1-original | 7 | AMBER | distance | NOE | ambi |
#
# 77 GLY HA+ 78 ARG HN 2.8 (# 0:10 Unique)
&rst
ixpk= 0, nxpk= 10, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1=1138,1139,
&end
#
# 77 GLY HA- 78 ARG HN 3.5 (# 1:10 Unique)
&rst
ixpk= 1, nxpk= 10, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1138,1139,
&end
#
# 120 TRP HD1 120 TRP HE1 2.8 (# 2:10 Unique)
&rst
ixpk= 2, nxpk= 10, iat=1825,1827, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 103 ALA HA 120 TRP HE1 3.5 (# 4:10 Unique)
&rst
ixpk= 4, nxpk= 10, iat=1542,1827, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:5 120 TRP HE1 4.5 (# 5:10 Single)
&rst
ixpk= 5, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1586,1587,1588,1809,1810,1811,
&end
#
# 103 ALA MB 120 TRP HE1 2.8 (# 6:10 Unique)
&rst
ixpk= 6, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1544,1545,1546,
&end
#
# 117 GLU HA 118 VAL HN 2.8 (# 7:10 Unique)
&rst
ixpk= 7, nxpk= 10, iat=1774,1787, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 118 VAL MGX 118 VAL HN 2.8 (# 8:10 Unique)
&rst
ixpk= 8, nxpk= 10, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1793,1794,1795,1797,1798,1799,
&end
#
# 0 AMB 10-2:9 118 VAL HN 2.8 (# 9:10 Single)
&rst
ixpk= 9, nxpk= 10, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1791,1776,1777,
&end
#
# 123 ASP HA 124 GLY HN 3.5 (# 10:10 Unique)
&rst
ixpk= 10, nxpk= 10, iat=1867,1877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 GLY HA+ 124 GLY HN 2.8 (# 11:10 Unique)
&rst
ixpk= 11, nxpk= 10, iat= -1,1877, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1879,1880,
&end
#
# 124 GLY HA- 124 GLY HN 2.8 (# 12:10 Unique)
&rst
ixpk= 12, nxpk= 10, iat= -1,1877, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1879,1880,
&end
#
# 123 ASP HB+ 124 GLY HN 3.5 (# 13:10 Unique)
&rst
ixpk= 13, nxpk= 10, iat= -1,1877, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1869,1870,
&end
#
# 67 GLN HA 68 GLY HN 3.5 (# 15:10 Unique)
&rst
ixpk= 15, nxpk= 10, iat=1021,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 GLN HN 68 GLY HN 2.8 (# 16:10 Unique)
&rst
ixpk= 16, nxpk= 10, iat=1019,1036, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:17 68 GLY HN 3.5 (# 17:10 Single)
&rst
ixpk= 17, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 982, 965,
&end
#
# 68 GLY HA+ 68 GLY HN 2.8 (# 18:10 Unique)
&rst
ixpk= 18, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1038,1039,
&end
#
# 68 GLY HA- 68 GLY HN 2.8 (# 19:10 Unique)
&rst
ixpk= 19, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1038,1039,
&end
#
# 0 AMB 10-2:20 68 GLY HN 3.5 (# 20:10 Single)
&rst
ixpk= 20, nxpk= 10, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1024,1047,1026,1027,
&end
#
# 44 VAL HA 45 ARG HN 2.8 (# 21:10 Unique)
&rst
ixpk= 21, nxpk= 10, iat= 646, 660, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:22 45 ARG HN 3.5 (# 22:10 Single)
&rst
ixpk= 22, nxpk= 10, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 336, 337, 338, 340, 341, 342, 378, 379, 380, 856,
857, 858,
&end
#
# 0 AMB 10-2:23 45 ARG HN 3.5 (# 23:10 Single)
&rst
ixpk= 23, nxpk= 10, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 650, 651, 652, 654, 655, 656, 375, 376, 849, 850,
851,
&end
#
# 0 AMB 10-2:24 45 ARG HN 3.5 (# 24:10 Single)
&rst
ixpk= 24, nxpk= 10, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 650, 651, 652, 654, 655, 656, 196, 197, 198,
&end
#
# 89 HIS HA 90 VAL HN 2.8 (# 25:10 Unique)
&rst
ixpk= 25, nxpk= 10, iat=1336,1351, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 90 VAL HB 90 VAL HN 3.5 (# 26:10 Unique)
&rst
ixpk= 26, nxpk= 10, iat=1355,1351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 VAL MGY 90 VAL HN 3.5 (# 27:10 Unique)
&rst
ixpk= 27, nxpk= 10, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1357,1358,1359,1361,1362,1363,
&end
#
# 75 GLY HN 74 LEU HN 2.8 (# 28:10 Unique)
&rst
ixpk= 28, nxpk= 10, iat=1122,1103, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 ILE HA 74 LEU HN 3.5 (# 29:10 Unique)
&rst
ixpk= 29, nxpk= 10, iat= 367,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 LEU HA 74 LEU HN 3.5 (# 30:10 Unique)
&rst
ixpk= 30, nxpk= 10, iat=1105,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 CYS HA 74 LEU HN 2.8 (# 31:10 Unique)
&rst
ixpk= 31, nxpk= 10, iat=1094,1103, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:32 74 LEU HN 3.5 (# 32:10 Single)
&rst
ixpk= 32, nxpk= 10, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1108, 375, 376,
&end
#
# 74 LEU HG 74 LEU HN 2.8 (# 33:10 Unique)
&rst
ixpk= 33, nxpk= 10, iat=1110,1103, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 LEU HB2 74 LEU HN 3.5 (# 34:10 Unique)
&rst
ixpk= 34, nxpk= 10, iat=1107,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:35 74 LEU HN 3.5 (# 35:10 Single)
&rst
ixpk= 35, nxpk= 10, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
360, 361,
&end
#
# 74 LEU HN 75 GLY HN 2.8 (# 36:10 Unique)
&rst
ixpk= 36, nxpk= 10, iat=1103,1122, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:37 75 GLY HN 3.5 (# 37:10 Single)
&rst
ixpk= 37, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1105, 332,
&end
#
# 73 CYS HA 75 GLY HN 3.5 (# 38:10 Unique)
&rst
ixpk= 38, nxpk= 10, iat=1094,1122, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 GLY HA+ 75 GLY HN 3.5 (# 39:10 Unique)
&rst
ixpk= 39, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1124,1125,
&end
#
# 75 GLY HA- 75 GLY HN 2.8 (# 40:10 Unique)
&rst
ixpk= 40, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1124,1125,
&end
#
# 0 AMB 10-2:41 75 GLY HN 4.5 (# 41:10 Single)
&rst
ixpk= 41, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1500,1501,1502,1112,1113,1114,1116,1117,1118,
&end
#
# 52 TYR HN 51 GLU HN 3.5 (# 42:10 Unique)
&rst
ixpk= 42, nxpk= 10, iat= 783, 768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 ALA HA 51 GLU HN 2.8 (# 43:10 Unique)
&rst
ixpk= 43, nxpk= 10, iat= 760, 768, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 51 GLU HA 51 GLU HN 3.5 (# 44:10 Unique)
&rst
ixpk= 44, nxpk= 10, iat= 770, 768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:45 51 GLU HN 2.8 (# 45:10 Single)
&rst
ixpk= 45, nxpk= 10, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 775, 776, 772, 773,
&end
#
# 50 ALA MB 51 GLU HN 3.5 (# 46:10 Unique)
&rst
ixpk= 46, nxpk= 10, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 762, 763, 764,
&end
#
# 0 AMB 10-2:49 4 ALA HN 4.5 (# 49:10 Single)
&rst
ixpk= 49, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 31, 57,
&end
#
# 4 ALA HA 4 ALA HN 3.5 (# 50:10 Unique)
&rst
ixpk= 50, nxpk= 10, iat= 49, 47, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ALA HN 3 VAL HB 2.8 (# 51:10 Unique)
&rst
ixpk= 51, nxpk= 10, iat= 47, 35, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 ALA HN 3 VAL HB 3.5 (# 52:10 Unique)
&rst
ixpk= 52, nxpk= 10, iat= 47, 35, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ALA MB 4 ALA HN 2.8 (# 53:10 Unique)
&rst
ixpk= 53, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 51, 52, 53,
&end
#
# 0 AMB 10-2:54 4 ALA HN 3.5 (# 54:10 Single)
&rst
ixpk= 54, nxpk= 10, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 37, 38, 39, 41, 42, 43, 37, 38, 39, 41,
42, 43,
&end
#
# 72 GLU HN 26 ARG HN 3.5 (# 55:10 Unique)
&rst
ixpk= 55, nxpk= 10, iat=1077, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:56 26 ARG HN 3.5 (# 56:10 Single)
&rst
ixpk= 56, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 388, 617, 618,
&end
#
# 26 ARG HB3 26 ARG HN 3.5 (# 57:10 Unique)
&rst
ixpk= 57, nxpk= 10, iat= 389, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 ILE HA 26 ARG HN 2.8 (# 58:10 Unique)
&rst
ixpk= 58, nxpk= 10, iat= 367, 384, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:59 26 ARG HN 2.8 (# 59:10 Single)
&rst
ixpk= 59, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 371, 372, 373, 391, 392,
&end
#
# 0 AMB 10-2:60 77 GLY HN 2.8 (# 60:10 Single)
&rst
ixpk= 60, nxpk= 10, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1131,1132,1138,1139,
&end
#
# 76 GLY HA- 77 GLY HN 2.8 (# 61:10 Unique)
&rst
ixpk= 61, nxpk= 10, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1131,1132,
&end
#
# 0 AMB 10-2:62 77 GLY HN 4.5 (# 62:10 Single)
&rst
ixpk= 62, nxpk= 10, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 292, 336, 337, 338, 340, 341, 342, 336, 337, 338,
340, 341, 342,
&end
#
# 0 AMB 10-2:63 25 ILE HN 4.5 (# 63:10 Single)
&rst
ixpk= 63, nxpk= 10, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 635, 636, 353,
&end
#
# 0 AMB 10-2:64 25 ILE HN 2.8 (# 64:10 Single)
&rst
ixpk= 64, nxpk= 10, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 369, 375, 376,
&end
#
# 24 LEU HA 25 ILE HN 2.8 (# 65:10 Unique)
&rst
ixpk= 65, nxpk= 10, iat= 348, 365, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 24 LEU MDY 25 ILE HN 2.8 (# 66:10 Unique)
&rst
ixpk= 66, nxpk= 10, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 355, 356, 357, 359, 360, 361,
&end
#
# 41 LYS HN 27 VAL HN 3.5 (# 67:10 Unique)
&rst
ixpk= 67, nxpk= 10, iat= 588, 408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 VAL HN 42 GLU HA 3.5 (# 68:10 Single)
&rst
ixpk= 68, nxpk= 10, iat= 408, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 ARG HA 27 VAL HN 2.8 (# 69:10 Unique)
&rst
ixpk= 69, nxpk= 10, iat= 386, 408, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 VAL HB 27 VAL HN 3.5 (# 70:10 Unique)
&rst
ixpk= 70, nxpk= 10, iat= 412, 408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:71 27 VAL HN 2.8 (# 71:10 Single)
&rst
ixpk= 71, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 414, 415, 416, 418, 419, 420, 391, 392,
&end
#
# 29 SER HA 30 ALA HN 2.8 (# 72:10 Unique)
&rst
ixpk= 72, nxpk= 10, iat= 443, 452, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 ALA HN 30 ALA MB 2.8 (# 73:10 Unique)
&rst
ixpk= 73, nxpk= 10, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 456, 457, 458,
&end
#
# 30 ALA HN 29 SER HA 2.8 (# 74:10 Unique)
&rst
ixpk= 74, nxpk= 10, iat= 452, 443, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 2 ALA HN 2 ALA MB 3.5 (# 75:10 Double)
&rst
ixpk= 75, nxpk= 10, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 25, 26, 27,
&end
#
# 45 ARG HE 13 ASP HN 3.5 (# 76:10 Unique)
&rst
ixpk= 76, nxpk= 10, iat= 673, 178, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 VAL HA 13 ASP HN 2.8 (# 77:10 Unique)
&rst
ixpk= 77, nxpk= 10, iat= 164, 178, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:78 13 ASP HN 3.5 (# 78:10 Single)
&rst
ixpk= 78, nxpk= 10, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 648, 629,
&end
#
# 12 VAL MGY 13 ASP HN 3.5 (# 79:10 Unique)
&rst
ixpk= 79, nxpk= 10, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 168, 169, 170, 172, 173, 174,
&end
#
# 0 AMB 10-2:80 13 ASP HN 2.8 (# 80:10 Single)
&rst
ixpk= 80, nxpk= 10, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 196, 197, 198, 168, 169, 170, 172, 173, 174,
&end
#
# 1 MET HA 2 ALA HN 3.5 (# 82:10 Unique)
&rst
ixpk= 82, nxpk= 10, iat= 6, 21, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:83 100 ALA HN 3.5 (# 83:10 Single)
&rst
ixpk= 83, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1533, 319, 324,1136,
&end
#
# 76 GLY HN 100 ALA HN 3.5 (# 84:10 Unique)
&rst
ixpk= 84, nxpk= 10, iat=1129,1496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 PRO HA 100 ALA HN 2.8 (# 85:10 Unique)
&rst
ixpk= 85, nxpk= 10, iat=1492,1496, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 100 ALA HA 100 ALA HN 3.5 (# 86:10 Unique)
&rst
ixpk= 86, nxpk= 10, iat=1498,1496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 ALA MB 100 ALA HN 2.8 (# 87:10 Unique)
&rst
ixpk= 87, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1500,1501,1502,
&end
#
# 76 GLY HN 98 GLY HN 3.5 (# 88:10 Single)
&rst
ixpk= 88, nxpk= 10, iat=1129,1475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 ALA HN 76 GLY HN 3.5 (# 89:10 Unique)
&rst
ixpk= 89, nxpk= 10, iat=1496,1129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 GLY HA+ 76 GLY HN 2.8 (# 90:10 Unique)
&rst
ixpk= 90, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1124,1125,
&end
#
# 0 AMB 10-2:91 76 GLY HN 2.8 (# 91:10 Single)
&rst
ixpk= 91, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1124,1125,1131,1132,
&end
#
# 100 ALA MB 76 GLY HN 3.5 (# 92:10 Unique)
&rst
ixpk= 92, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1500,1501,1502,
&end
#
# 76 GLY HA+ 76 GLY HN 4.5 (# 93:10 Unique)
&rst
ixpk= 93, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1131,1132,
&end
#
# 72 GLU HA 73 CYS HN 2.8 (# 94:10 Unique)
&rst
ixpk= 94, nxpk= 10, iat=1079,1092, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 CYS HB+ 73 CYS HN 3.5 (# 97:10 Unique)
&rst
ixpk= 97, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1096,1097,
&end
#
# 24 LEU HB+ 24 LEU HN 3.5 (# 98:10 Unique)
&rst
ixpk= 98, nxpk= 10, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 350, 351,
&end
#
# 24 LEU HB- 24 LEU HN 3.5 (# 99:10 Unique)
&rst
ixpk= 99, nxpk= 10, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 350, 351,
&end
#
# 0 AMB 10-2:100 24 LEU HN 2.8 (# 100:10 Single)
&rst
ixpk= 100, nxpk= 10, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
341, 342,
&end
#
# 23 VAL HA 24 LEU HN 2.8 (# 101:10 Unique)
&rst
ixpk= 101, nxpk= 10, iat= 332, 346, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:102 24 LEU HN 4.5 (# 102:10 Single)
&rst
ixpk= 102, nxpk= 10, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 334,1096,1097,
&end
#
# 0 AMB 10-2:103 102 HIS HN 4.5 (# 103:10 Single)
&rst
ixpk= 103, nxpk= 10, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1510,1511,1554,
&end
#
# 103 ALA HN 102 HIS HN 3.5 (# 104:10 Unique)
&rst
ixpk= 104, nxpk= 10, iat=1540,1523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:105 102 HIS HN 2.8 (# 105:10 Single)
&rst
ixpk= 105, nxpk= 10, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1508,1525,
&end
#
# 102 HIS HB3 102 HIS HN 4.5 (# 106:10 Unique)
&rst
ixpk= 106, nxpk= 10, iat=1528,1523, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 HIS HB2 102 HIS HN 3.5 (# 107:10 Unique)
&rst
ixpk= 107, nxpk= 10, iat=1527,1523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 LEU HA 6 LEU HN 3.5 (# 108:10 Unique)
&rst
ixpk= 108, nxpk= 10, iat= 71, 69, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 ALA HN 6 LEU HN 3.5 (# 109:10 Unique)
&rst
ixpk= 109, nxpk= 10, iat= 88, 69, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ASP HA 6 LEU HN 2.8 (# 110:10 Unique)
&rst
ixpk= 110, nxpk= 10, iat= 59, 69, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 LEU HG 6 LEU HN 2.8 (# 111:10 Unique)
&rst
ixpk= 111, nxpk= 10, iat= 76, 69, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 LEU HB3 6 LEU HN 3.5 (# 112:10 Unique)
&rst
ixpk= 112, nxpk= 10, iat= 74, 69, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 ALA HA 35 ALA HN 3.5 (# 113:10 Unique)
&rst
ixpk= 113, nxpk= 10, iat= 520, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:114 35 ALA HN 3.5 (# 114:10 Single)
&rst
ixpk= 114, nxpk= 10, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 513, 514, 504, 505,
&end
#
# 34 GLY HA- 35 ALA HN 3.5 (# 115:10 Unique)
&rst
ixpk= 115, nxpk= 10, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 513, 514,
&end
#
# 35 ALA MB 35 ALA HN 2.8 (# 116:10 Unique)
&rst
ixpk= 116, nxpk= 10, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 522, 523, 524,
&end
#
# 82 GLN HA 82 GLN HN 3.5 (# 119:10 Unique)
&rst
ixpk= 119, nxpk= 10, iat=1216,1214, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 GLN HB+ 82 GLN HN 3.5 (# 120:10 Unique)
&rst
ixpk= 120, nxpk= 10, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1218,1219,
&end
#
# 82 GLN HG+ 82 GLN HN 4.5 (# 123:10 Unique)
&rst
ixpk= 123, nxpk= 10, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1221,1222,
&end
#
# 28 HIS HB2 28 HIS HN 3.5 (# 124:10 Unique)
&rst
ixpk= 124, nxpk= 10, iat= 428, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 ASP HA 63 ASP HN 2.8 (# 125:10 Unique)
&rst
ixpk= 125, nxpk= 10, iat= 953, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:126 63 ASP HN 4.5 (# 126:10 Single)
&rst
ixpk= 126, nxpk= 10, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 897, 935,
&end
#
# 62 GLY HA+ 63 ASP HN 2.8 (# 127:10 Unique)
&rst
ixpk= 127, nxpk= 10, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 946, 947,
&end
#
# 64 MET HN 63 ASP HN 2.8 (# 128:10 Unique)
&rst
ixpk= 128, nxpk= 10, iat= 963, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 62 GLY HN 63 ASP HN 2.8 (# 129:10 Unique)
&rst
ixpk= 129, nxpk= 10, iat= 944, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:130 63 ASP HN 2.8 (# 130:10 Single)
&rst
ixpk= 130, nxpk= 10, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 946, 947, 919,
&end
#
# 63 ASP HB3 63 ASP HN 2.8 (# 131:10 Unique)
&rst
ixpk= 131, nxpk= 10, iat= 956, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 ASP HB2 63 ASP HN 2.8 (# 132:10 Unique)
&rst
ixpk= 132, nxpk= 10, iat= 955, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 28 HIS HN 28 HIS HB3 4.5 (# 133:10 Unique)
&rst
ixpk= 133, nxpk= 10, iat= 424, 429, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 CYS HA 28 HIS HN 4.5 (# 134:10 Unique)
&rst
ixpk= 134, nxpk= 10, iat=1068, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 VAL HA 28 HIS HN 2.8 (# 135:10 Unique)
&rst
ixpk= 135, nxpk= 10, iat= 410, 424, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 VAL MGY 28 HIS HN 3.5 (# 136:10 Unique)
&rst
ixpk= 136, nxpk= 10, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 414, 415, 416, 418, 419, 420,
&end
#
# 9 ILE HA 9 ILE HN 3.5 (# 144:10 Unique)
&rst
ixpk= 144, nxpk= 10, iat= 119, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ILE HN 8 LEU HA 3.5 (# 145:10 Unique)
&rst
ixpk= 145, nxpk= 10, iat= 117, 100, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ILE HB 9 ILE HN 2.8 (# 146:10 Unique)
&rst
ixpk= 146, nxpk= 10, iat= 121, 117, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 ILE HG1- 9 ILE HN 2.8 (# 147:10 Unique)
&rst
ixpk= 147, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 127, 128,
&end
#
# 9 ILE HG1+ 9 ILE HN 3.5 (# 148:10 Unique)
&rst
ixpk= 148, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 127, 128,
&end
#
# 0 AMB 10-2:149 9 ILE HN 3.5 (# 149:10 Single)
&rst
ixpk= 149, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 130, 131, 132, 123, 124, 125,
&end
#
# 64 MET HN 65 GLN HN 2.8 (# 150:10 Unique)
&rst
ixpk= 150, nxpk= 10, iat= 963, 980, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 66 LYS HN 65 GLN HN 3.5 (# 151:10 Unique)
&rst
ixpk= 151, nxpk= 10, iat= 997, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:152 65 GLN HN 2.8 (# 152:10 Single)
&rst
ixpk= 152, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 982, 965,
&end
#
# 0 AMB 10-2:153 65 GLN HN 4.5 (# 153:10 Single)
&rst
ixpk= 153, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 935, 999,
&end
#
# 65 GLN HG+ 65 GLN HN 3.5 (# 154:10 Unique)
&rst
ixpk= 154, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 987, 988,
&end
#
# 65 GLN HG- 65 GLN HN 3.5 (# 155:10 Unique)
&rst
ixpk= 155, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 987, 988,
&end
#
# 65 GLN HB2 65 GLN HN 2.8 (# 156:10 Unique)
&rst
ixpk= 156, nxpk= 10, iat= 984, 980, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 37 ALA HN 36 PRO HB- 4.5 (# 157:10 Single)
&rst
ixpk= 157, nxpk= 10, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 535, 536,
&end
#
# 0 AMB 10-2:158 50 ALA HN 2.8 (# 158:10 Single)
&rst
ixpk= 158, nxpk= 10, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 760, 736,
&end
#
# 49 TRP HH2 50 ALA HN 5.5 (# 159:10 Unique)
&rst
ixpk= 159, nxpk= 10, iat= 749, 758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 ALA MB 50 ALA HN 2.8 (# 160:10 Unique)
&rst
ixpk= 160, nxpk= 10, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 762, 763, 764,
&end
#
# 36 PRO HA 37 ALA HN 2.8 (# 161:10 Unique)
&rst
ixpk= 161, nxpk= 10, iat= 538, 542, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:162 37 ALA HN 2.8 (# 162:10 Single)
&rst
ixpk= 162, nxpk= 10, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 546, 547, 548, 522, 523, 524,
&end
#
# 37 ALA HN 36 PRO HB+ 4.5 (# 163:10 Single)
&rst
ixpk= 163, nxpk= 10, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 535, 536,
&end
#
# 106 THR HN 107 GLU HN 3.5 (# 164:10 Unique)
&rst
ixpk= 164, nxpk= 10, iat=1580,1594, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 GLU HA 107 GLU HN 2.8 (# 165:10 Unique)
&rst
ixpk= 165, nxpk= 10, iat=1596,1594, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 104 ILE HA 107 GLU HN 4.5 (# 166:10 Unique)
&rst
ixpk= 166, nxpk= 10, iat=1552,1594, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 GLU HG+ 107 GLU HN 3.5 (# 167:10 Unique)
&rst
ixpk= 167, nxpk= 10, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1601,1602,
&end
#
# 107 GLU HB+ 107 GLU HN 2.8 (# 168:10 Unique)
&rst
ixpk= 168, nxpk= 10, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1598,1599,
&end
#
# 106 THR MG2 107 GLU HN 4.5 (# 169:10 Unique)
&rst
ixpk= 169, nxpk= 10, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1586,1587,1588,
&end
#
# 78 ARG HN 91 TYR HN 3.5 (# 170:10 Unique)
&rst
ixpk= 170, nxpk= 10, iat=1143,1367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 VAL HA 91 TYR HN 2.8 (# 171:10 Unique)
&rst
ixpk= 171, nxpk= 10, iat=1353,1367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 91 TYR HD 91 TYR HN 2.8 (# 172:10 Unique)
&rst
ixpk= 172, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1375,1384,
&end
#
# 0 AMB 10-2:173 91 TYR HN 4.5 (# 173:10 Single)
&rst
ixpk= 173, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1377,1382,1536,
&end
#
# 90 VAL MGX 91 TYR HN 3.5 (# 174:10 Unique)
&rst
ixpk= 174, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 10-2:175 91 TYR HN 3.5 (# 175:10 Single)
&rst
ixpk= 175, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1357,1358,1359,1361,1362,1363,1147,1148,
&end
#
# 69 CYS HB3 70 ASP HN 3.5 (# 176:10 Unique)
&rst
ixpk= 176, nxpk= 10, iat=1048,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 ASP HB+ 70 ASP HN 3.5 (# 177:10 Unique)
&rst
ixpk= 177, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1058,1059,
&end
#
# 0 AMB 10-2:179 70 ASP HN 2.8 (# 179:10 Single)
&rst
ixpk= 179, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1058,1059,1047,
&end
#
# 104 ILE HN 103 ALA HN 3.5 (# 180:10 Unique)
&rst
ixpk= 180, nxpk= 10, iat=1550,1540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:181 0 AMB 10-1:181 3.5 (# 181:10 Double)
&rst
ixpk= 181, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1525,1508,1190,1191,
igr2=1540, 267,
&end
#
# 0 AMB 10-2:182 0 AMB 10-1:182 2.8 (# 182:10 Double)
&rst
ixpk= 182, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1544,1545,1546, 257, 258, 259, 261, 262, 263,
igr2=1540, 267,
&end
#
# 0 AMB 10-2:183 0 AMB 10-1:183 3.5 (# 183:10 Double)
&rst
ixpk= 183, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 271, 272,1542,
igr2= 267,1540,
&end
#
# 19 VAL HA 20 PHE HN 2.8 (# 184:10 Unique)
&rst
ixpk= 184, nxpk= 10, iat= 253, 267, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 54 ALA MB 54 ALA HN 2.8 (# 190:10 Unique)
&rst
ixpk= 190, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 825, 826, 827,
&end
#
# 43 ILE HA 44 VAL HN 2.8 (# 192:10 Unique)
&rst
ixpk= 192, nxpk= 10, iat= 627, 644, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:193 44 VAL HN 2.8 (# 193:10 Single)
&rst
ixpk= 193, nxpk= 10, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 648, 629,
&end
#
# 44 VAL MGY 44 VAL HN 3.5 (# 194:10 Unique)
&rst
ixpk= 194, nxpk= 10, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 650, 651, 652, 654, 655, 656,
&end
#
# 0 AMB 10-2:195 44 VAL HN 3.5 (# 195:10 Single)
&rst
ixpk= 195, nxpk= 10, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 631, 632, 633, 355, 356, 357, 359, 360, 361,
&end
#
# 0 AMB 10-2:196 44 VAL HN 2.8 (# 196:10 Single)
&rst
ixpk= 196, nxpk= 10, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 650, 651, 652, 654, 655, 656, 168, 169, 170, 172,
173, 174,
&end
#
# 12 VAL HA 44 VAL HN 3.5 (# 197:10 Unique)
&rst
ixpk= 197, nxpk= 10, iat= 164, 644, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 TRP HB+ 121 ALA HN 2.8 (# 198:10 Unique)
&rst
ixpk= 198, nxpk= 10, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1821,1822,
&end
#
# 120 TRP HA 121 ALA HN 2.8 (# 199:10 Unique)
&rst
ixpk= 199, nxpk= 10, iat=1819,1841, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 121 ALA MB 121 ALA HN 3.5 (# 200:10 Unique)
&rst
ixpk= 200, nxpk= 10, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1845,1846,1847,
&end
#
# 108 LYS HN 109 ILE HN 3.5 (# 201:10 Unique)
&rst
ixpk= 201, nxpk= 10, iat=1609,1631, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:202 109 ILE HN 3.5 (# 202:10 Single)
&rst
ixpk= 202, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1633,1582,
&end
#
# 0 AMB 10-2:203 109 ILE HN 2.8 (# 203:10 Single)
&rst
ixpk= 203, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1641,1642,1613,
&end
#
# 0 AMB 10-2:204 109 ILE HN 2.8 (# 204:10 Single)
&rst
ixpk= 204, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1635,1614,
&end
#
# 0 AMB 10-2:205 109 ILE HN 3.5 (# 205:10 Single)
&rst
ixpk= 205, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 168, 169, 170, 172, 173, 174, 650, 651, 652, 654,
655, 656,
&end
#
# 0 AMB 10-2:206 58 ASP HN 2.8 (# 206:10 Single)
&rst
ixpk= 206, nxpk= 10, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 895, 870, 879,
&end
#
# 57 TYR HN 58 ASP HN 3.5 (# 207:10 Unique)
&rst
ixpk= 207, nxpk= 10, iat= 862, 883, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 ASP HA 58 ASP HN 2.8 (# 208:10 Unique)
&rst
ixpk= 208, nxpk= 10, iat= 885, 883, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:209 58 ASP HN 3.5 (# 209:10 Single)
&rst
ixpk= 209, nxpk= 10, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 864, 845,
&end
#
# 57 TYR HB3 58 ASP HN 3.5 (# 210:10 Unique)
&rst
ixpk= 210, nxpk= 10, iat= 867, 883, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 ASP HB+ 58 ASP HN 2.8 (# 211:10 Unique)
&rst
ixpk= 211, nxpk= 10, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 887, 888,
&end
#
# 58 ASP HB- 58 ASP HN 2.8 (# 212:10 Unique)
&rst
ixpk= 212, nxpk= 10, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 887, 888,
&end
#
# 39 GLU HA 39 GLU HN 3.5 (# 213:10 Unique)
&rst
ixpk= 213, nxpk= 10, iat= 564, 562, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:214 39 GLU HN 2.8 (# 214:10 Single)
&rst
ixpk= 214, nxpk= 10, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 554, 544,
&end
#
# 39 GLU HB+ 39 GLU HN 3.5 (# 215:10 Unique)
&rst
ixpk= 215, nxpk= 10, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 566, 567,
&end
#
# 39 GLU HB- 39 GLU HN 2.8 (# 216:10 Unique)
&rst
ixpk= 216, nxpk= 10, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 566, 567,
&end
#
# 0 AMB 10-2:217 39 GLU HN 3.5 (# 217:10 Single)
&rst
ixpk= 217, nxpk= 10, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 569, 570, 569, 570,
&end
#
# 38 ALA MB 39 GLU HN 4.5 (# 218:10 Unique)
&rst
ixpk= 218, nxpk= 10, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 556, 557, 558,
&end
#
# 110 LYS HB+ 110 LYS HN 3.5 (# 219:10 Unique)
&rst
ixpk= 219, nxpk= 10, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1654,1655,
&end
#
# 109 ILE HB 110 LYS HN 3.5 (# 220:10 Unique)
&rst
ixpk= 220, nxpk= 10, iat=1635,1650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 LYS HB- 110 LYS HN 3.5 (# 221:10 Unique)
&rst
ixpk= 221, nxpk= 10, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1654,1655,
&end
#
# 58 ASP HN 59 LYS HN 3.5 (# 222:10 Unique)
&rst
ixpk= 222, nxpk= 10, iat= 883, 895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 VAL HN 59 LYS HN 2.8 (# 223:10 Unique)
&rst
ixpk= 223, nxpk= 10, iat= 917, 895, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:224 59 LYS HN 2.8 (# 224:10 Single)
&rst
ixpk= 224, nxpk= 10, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 897, 885,
&end
#
# 58 ASP HB+ 59 LYS HN 3.5 (# 225:10 Unique)
&rst
ixpk= 225, nxpk= 10, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 887, 888,
&end
#
# 58 ASP HB- 59 LYS HN 3.5 (# 226:10 Unique)
&rst
ixpk= 226, nxpk= 10, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 887, 888,
&end
#
# 0 AMB 10-2:227 59 LYS HN 2.8 (# 227:10 Single)
&rst
ixpk= 227, nxpk= 10, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 899, 900, 899, 900,
&end
#
# 59 LYS HG+ 59 LYS HN 4.5 (# 228:10 Unique)
&rst
ixpk= 228, nxpk= 10, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 902, 903,
&end
#
# 20 PHE HA 21 LYS HN 2.8 (# 229:10 Unique)
&rst
ixpk= 229, nxpk= 10, iat= 269, 287, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:230 21 LYS HN 3.5 (# 230:10 Single)
&rst
ixpk= 230, nxpk= 10, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 271, 272,1153,1154,
&end
#
# 0 AMB 10-2:231 21 LYS HN 3.5 (# 231:10 Single)
&rst
ixpk= 231, nxpk= 10, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 297, 298, 291,
&end
#
# 0 AMB 10-2:232 0 AMB 10-1:232 3.5 (# 232:10 Double)
&rst
ixpk= 232, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 292, 257, 258, 259, 261, 262, 263, 762, 763, 764,
856, 857, 858,
igr2= 287,1167,
&end
#
# 19 VAL HA 19 VAL HN 3.5 (# 233:10 Unique)
&rst
ixpk= 233, nxpk= 10, iat= 253, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 SER HB+ 19 VAL HN 4.5 (# 236:10 Unique)
&rst
ixpk= 236, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1190,1191,
&end
#
# 19 VAL HB 19 VAL HN 2.8 (# 237:10 Unique)
&rst
ixpk= 237, nxpk= 10, iat= 255, 251, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 VAL MGY 19 VAL HN 2.8 (# 238:10 Unique)
&rst
ixpk= 238, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 257, 258, 259, 261, 262, 263,
&end
#
# 19 VAL MGX 19 VAL HN 4.5 (# 239:10 Unique)
&rst
ixpk= 239, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 257, 258, 259, 261, 262, 263,
&end
#
# 6 LEU HN 7 ALA HN 2.8 (# 240:10 Unique)
&rst
ixpk= 240, nxpk= 10, iat= 69, 88, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 8 LEU HN 7 ALA HN 2.8 (# 241:10 Unique)
&rst
ixpk= 241, nxpk= 10, iat= 98, 88, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 ASP HA 7 ALA HN 4.5 (# 242:10 Unique)
&rst
ixpk= 242, nxpk= 10, iat= 59, 88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 ALA HA 7 ALA HN 2.8 (# 243:10 Unique)
&rst
ixpk= 243, nxpk= 10, iat= 90, 88, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 ALA HN 6 LEU HA 3.5 (# 244:10 Unique)
&rst
ixpk= 244, nxpk= 10, iat= 88, 71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 LEU HB2 7 ALA HN 3.5 (# 245:10 Unique)
&rst
ixpk= 245, nxpk= 10, iat= 73, 88, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 ALA HN 7 ALA MB 2.8 (# 246:10 Unique)
&rst
ixpk= 246, nxpk= 10, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 92, 93, 94,
&end
#
# 0 AMB 10-2:247 42 GLU HN 2.8 (# 247:10 Single)
&rst
ixpk= 247, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 592, 593, 614, 615,
&end
#
# 42 GLU HB- 42 GLU HN 3.5 (# 248:10 Unique)
&rst
ixpk= 248, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 614, 615,
&end
#
# 0 AMB 10-2:249 42 GLU HN 3.5 (# 249:10 Single)
&rst
ixpk= 249, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 595, 596, 414, 415, 416, 418, 419, 420,
&end
#
# 41 LYS HA 42 GLU HN 2.8 (# 250:10 Unique)
&rst
ixpk= 250, nxpk= 10, iat= 590, 610, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 ASP HB+ 5 ASP HN 3.5 (# 251:10 Unique)
&rst
ixpk= 251, nxpk= 10, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 61, 62,
&end
#
# 4 ALA MB 5 ASP HN 3.5 (# 252:10 Unique)
&rst
ixpk= 252, nxpk= 10, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 51, 52, 53,
&end
#
# 5 ASP HN 5 ASP HA 3.5 (# 253:10 Unique)
&rst
ixpk= 253, nxpk= 10, iat= 57, 59, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ALA HA 5 ASP HN 2.8 (# 254:10 Unique)
&rst
ixpk= 254, nxpk= 10, iat= 49, 57, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 ASP HB- 5 ASP HN 2.8 (# 255:10 Unique)
&rst
ixpk= 255, nxpk= 10, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 61, 62,
&end
#
# 5 ASP HN 5 ASP HB+ 3.5 (# 256:10 Unique)
&rst
ixpk= 256, nxpk= 10, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 61, 62,
&end
#
# 4 ALA MB 5 ASP HN 3.5 (# 257:10 Unique)
&rst
ixpk= 257, nxpk= 10, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 51, 52, 53,
&end
#
# 3 VAL HA 3 VAL HN 2.8 (# 259:10 Unique)
&rst
ixpk= 259, nxpk= 10, iat= 33, 31, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:260 3 VAL HN 2.8 (# 260:10 Single)
&rst
ixpk= 260, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 37, 38, 39, 41, 42, 43, 37, 38, 39, 41,
42, 43,
&end
#
# 4 ALA HN 3 VAL HN 4.5 (# 261:10 Unique)
&rst
ixpk= 261, nxpk= 10, iat= 47, 31, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 ALA HA 3 VAL HN 2.8 (# 262:10 Unique)
&rst
ixpk= 262, nxpk= 10, iat= 23, 31, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 3 VAL HB 3 VAL HN 3.5 (# 263:10 Unique)
&rst
ixpk= 263, nxpk= 10, iat= 35, 31, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 ALA MB 3 VAL HN 3.5 (# 264:10 Unique)
&rst
ixpk= 264, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 25, 26, 27,
&end
#
# 100 ALA HA 101 GLN HN 2.8 (# 265:10 Unique)
&rst
ixpk= 265, nxpk= 10, iat=1498,1506, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 101 GLN HA 101 GLN HN 2.8 (# 266:10 Unique)
&rst
ixpk= 266, nxpk= 10, iat=1508,1506, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 101 GLN HG- 101 GLN HN 3.5 (# 267:10 Unique)
&rst
ixpk= 267, nxpk= 10, iat= -1,1506, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1513,1514,
&end
#
# 101 GLN HB+ 101 GLN HN 2.8 (# 268:10 Unique)
&rst
ixpk= 268, nxpk= 10, iat= -1,1506, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1510,1511,
&end
#
# 101 GLN HB- 101 GLN HN 2.8 (# 269:10 Unique)
&rst
ixpk= 269, nxpk= 10, iat= -1,1506, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1510,1511,
&end
#
# 101 GLN HN 100 ALA MB 3.5 (# 270:10 Single)
&rst
ixpk= 270, nxpk= 10, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1500,1501,1502,
&end
#
# 103 ALA HN 104 ILE HN 3.5 (# 271:10 Unique)
&rst
ixpk= 271, nxpk= 10, iat=1540,1550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 SER HN 104 ILE HN 2.8 (# 272:10 Unique)
&rst
ixpk= 272, nxpk= 10, iat=1569,1550, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:273 104 ILE HN 2.8 (# 273:10 Single)
&rst
ixpk= 273, nxpk= 10, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1554,1510,1511,
&end
#
# 104 ILE HG1- 104 ILE HN 3.5 (# 274:10 Unique)
&rst
ixpk= 274, nxpk= 10, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1560,1561,
&end
#
# 104 ILE HG1+ 104 ILE HN 3.5 (# 275:10 Unique)
&rst
ixpk= 275, nxpk= 10, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1560,1561,
&end
#
# 103 ALA MB 104 ILE HN 3.5 (# 276:10 Unique)
&rst
ixpk= 276, nxpk= 10, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1544,1545,1546,
&end
#
# 0 AMB 10-2:277 104 ILE HN 3.5 (# 277:10 Single)
&rst
ixpk= 277, nxpk= 10, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1563,1564,1565,1556,1557,1558,
&end
#
# 0 AMB 10-2:278 119 THR HN 2.8 (# 278:10 Single)
&rst
ixpk= 278, nxpk= 10, iat= -1,1803, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
1798,1799,
&end
#
# 118 VAL HA 119 THR HN 2.8 (# 279:10 Unique)
&rst
ixpk= 279, nxpk= 10, iat=1789,1803, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 65 GLN HN 64 MET HN 2.8 (# 280:10 Unique)
&rst
ixpk= 280, nxpk= 10, iat= 980, 963, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 ASP HN 64 MET HN 2.8 (# 281:10 Unique)
&rst
ixpk= 281, nxpk= 10, iat= 951, 963, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 MET HA 64 MET HN 2.8 (# 282:10 Unique)
&rst
ixpk= 282, nxpk= 10, iat= 965, 963, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 ASP HB3 64 MET HN 3.5 (# 283:10 Unique)
&rst
ixpk= 283, nxpk= 10, iat= 956, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 MET HN 64 MET HG+ 3.5 (# 284:10 Unique)
&rst
ixpk= 284, nxpk= 10, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 970, 971,
&end
#
# 64 MET HG- 64 MET HN 3.5 (# 285:10 Unique)
&rst
ixpk= 285, nxpk= 10, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 970, 971,
&end
#
# 64 MET HB2 64 MET HN 2.8 (# 286:10 Unique)
&rst
ixpk= 286, nxpk= 10, iat= 967, 963, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 MET HB3 64 MET HN 3.5 (# 287:10 Unique)
&rst
ixpk= 287, nxpk= 10, iat= 968, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 ASN HA 123 ASP HN 3.5 (# 288:10 Unique)
&rst
ixpk= 288, nxpk= 10, iat=1853,1865, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 123 ASP HA 123 ASP HN 2.8 (# 289:10 Unique)
&rst
ixpk= 289, nxpk= 10, iat=1867,1865, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 123 ASP HB+ 123 ASP HN 2.8 (# 290:10 Unique)
&rst
ixpk= 290, nxpk= 10, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1869,1870,
&end
#
# 121 ALA MB 123 ASP HN 3.5 (# 291:10 Unique)
&rst
ixpk= 291, nxpk= 10, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1845,1846,1847,
&end
#
# 65 GLN HN 66 LYS HN 3.5 (# 292:10 Unique)
&rst
ixpk= 292, nxpk= 10, iat= 980, 997, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 GLN HN 66 LYS HN 3.5 (# 293:10 Unique)
&rst
ixpk= 293, nxpk= 10, iat=1019, 997, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:294 66 LYS HN 4.5 (# 294:10 Single)
&rst
ixpk= 294, nxpk= 10, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 982, 965,
&end
#
# 66 LYS HA 66 LYS HN 2.8 (# 295:10 Unique)
&rst
ixpk= 295, nxpk= 10, iat= 999, 997, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:296 66 LYS HN 2.8 (# 296:10 Single)
&rst
ixpk= 296, nxpk= 10, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 984, 985,
&end
#
# 66 LYS HB+ 66 LYS HN 2.8 (# 297:10 Unique)
&rst
ixpk= 297, nxpk= 10, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1001,1002,
&end
#
# 66 LYS HG+ 66 LYS HN 2.8 (# 298:10 Unique)
&rst
ixpk= 298, nxpk= 10, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1004,1005,
&end
#
# 66 LYS HG- 66 LYS HN 3.5 (# 299:10 Unique)
&rst
ixpk= 299, nxpk= 10, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1004,1005,
&end
#
# 104 ILE HA 104 ILE HN 3.5 (# 300:10 Unique)
&rst
ixpk= 300, nxpk= 10, iat=1552,1550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 LYS HA 22 TYR HN 2.8 (# 301:10 Unique)
&rst
ixpk= 301, nxpk= 10, iat= 289, 309, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 GLY HN 22 TYR HN 3.5 (# 302:10 Unique)
&rst
ixpk= 302, nxpk= 10, iat=1136, 309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 LYS HB3 22 TYR HN 3.5 (# 303:10 Unique)
&rst
ixpk= 303, nxpk= 10, iat= 292, 309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 ARG HN 72 GLU HN 3.5 (# 304:10 Unique)
&rst
ixpk= 304, nxpk= 10, iat= 384,1077, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 ASN HB- 122 ASN HN 5.5 (# 306:10 Unique)
&rst
ixpk= 306, nxpk= 10, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1855,1856,
&end
#
# 71 CYS HB3 72 GLU HN 3.5 (# 307:10 Unique)
&rst
ixpk= 307, nxpk= 10, iat=1071,1077, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:308 72 GLU HN 3.5 (# 308:10 Single)
&rst
ixpk= 308, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1084,1085,1084,1085,
&end
#
# 72 GLU HB+ 72 GLU HN 3.5 (# 309:10 Unique)
&rst
ixpk= 309, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1081,1082,
&end
#
# 72 GLU HB- 72 GLU HN 3.5 (# 310:10 Unique)
&rst
ixpk= 310, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1081,1082,
&end
#
# 0 AMB 10-2:311 72 GLU HN 2.8 (# 311:10 Single)
&rst
ixpk= 311, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 371, 372, 373, 414, 415, 416, 418, 419, 420,
&end
#
# 121 ALA HA 122 ASN HN 3.5 (# 312:10 Unique)
&rst
ixpk= 312, nxpk= 10, iat=1843,1851, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 ASN HB- 122 ASN HN 4.5 (# 313:10 Unique)
&rst
ixpk= 313, nxpk= 10, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1855,1856,
&end
#
# 121 ALA MB 122 ASN HN 4.5 (# 314:10 Unique)
&rst
ixpk= 314, nxpk= 10, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1845,1846,1847,
&end
#
# 0 AMB 10-2:315 60 VAL HN 2.8 (# 315:10 Single)
&rst
ixpk= 315, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 899, 900, 899, 900,
&end
#
# 61 SER HN 60 VAL HN 2.8 (# 316:10 Unique)
&rst
ixpk= 316, nxpk= 10, iat= 933, 917, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 59 LYS HN 60 VAL HN 2.8 (# 317:10 Unique)
&rst
ixpk= 317, nxpk= 10, iat= 895, 917, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:318 60 VAL HN 3.5 (# 318:10 Single)
&rst
ixpk= 318, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 897, 885,
&end
#
# 0 AMB 10-2:319 60 VAL HN 2.8 (# 319:10 Single)
&rst
ixpk= 319, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 919, 864, 845,
&end
#
# 60 VAL HB 60 VAL HN 2.8 (# 320:10 Unique)
&rst
ixpk= 320, nxpk= 10, iat= 921, 917, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 VAL MGY 60 VAL HN 2.8 (# 321:10 Unique)
&rst
ixpk= 321, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 923, 924, 925, 927, 928, 929,
&end
#
# 60 VAL MGX 60 VAL HN 3.5 (# 322:10 Unique)
&rst
ixpk= 322, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 923, 924, 925, 927, 928, 929,
&end
#
# 56 ILE HN 57 TYR HN 2.8 (# 323:10 Unique)
&rst
ixpk= 323, nxpk= 10, iat= 843, 862, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 TYR HD 57 TYR HN 4.5 (# 324:10 Unique)
&rst
ixpk= 324, nxpk= 10, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 870, 879,
&end
#
# 56 ILE HB 57 TYR HN 2.8 (# 325:10 Unique)
&rst
ixpk= 325, nxpk= 10, iat= 847, 862, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:326 0 AMB 10-1:326 2.8 (# 326:10 Double)
&rst
ixpk= 326, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 168, 169, 170, 172, 173, 174, 336, 337, 338, 340,
341, 342, 336, 337, 338, 340, 341, 342,
igr2=1704, 862,
&end
#
# 58 ASP HN 57 TYR HN 3.5 (# 327:10 Unique)
&rst
ixpk= 327, nxpk= 10, iat= 883, 862, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:328 57 TYR HN 2.8 (# 328:10 Single)
&rst
ixpk= 328, nxpk= 10, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 864, 845,
&end
#
# 57 TYR HB3 57 TYR HN 2.8 (# 329:10 Unique)
&rst
ixpk= 329, nxpk= 10, iat= 867, 862, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 TYR HB2 57 TYR HN 2.8 (# 330:10 Unique)
&rst
ixpk= 330, nxpk= 10, iat= 866, 862, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 112 LYS HN 113 TYR HN 2.8 (# 331:10 Unique)
&rst
ixpk= 331, nxpk= 10, iat=1682,1704, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:332 0 AMB 10-1:332 3.5 (# 332:10 Double)
&rst
ixpk= 332, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1686,1687, 853, 854,
igr2=1704, 862,
&end
#
# 79 ILE HA 80 SER HN 3.5 (# 333:10 Unique)
&rst
ixpk= 333, nxpk= 10, iat=1169,1186, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 TYR HN 112 LYS HN 2.8 (# 334:10 Unique)
&rst
ixpk= 334, nxpk= 10, iat=1704,1682, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 111 ALA HN 112 LYS HN 3.5 (# 335:10 Unique)
&rst
ixpk= 335, nxpk= 10, iat=1672,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 LYS HB+ 112 LYS HN 3.5 (# 336:10 Unique)
&rst
ixpk= 336, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1686,1687,
&end
#
# 112 LYS HB- 112 LYS HN 2.8 (# 337:10 Unique)
&rst
ixpk= 337, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1686,1687,
&end
#
# 111 ALA MB 112 LYS HN 2.8 (# 338:10 Unique)
&rst
ixpk= 338, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1676,1677,1678,
&end
#
# 0 AMB 10-2:339 112 LYS HN 2.8 (# 339:10 Single)
&rst
ixpk= 339, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1684,1674,1611,
&end
#
# 112 LYS HG+ 112 LYS HN 4.5 (# 340:10 Unique)
&rst
ixpk= 340, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1689,1690,
&end
#
# 69 CYS HN 65 GLN HA 2.8 (# 342:10 Unique)
&rst
ixpk= 342, nxpk= 10, iat=1043, 982, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 CYS HN 68 GLY HA+ 3.5 (# 343:10 Unique)
&rst
ixpk= 343, nxpk= 10, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1038,1039,
&end
#
# 68 GLY HA- 69 CYS HN 3.5 (# 344:10 Unique)
&rst
ixpk= 344, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1038,1039,
&end
#
# 69 CYS HB3 69 CYS HN 4.5 (# 345:10 Unique)
&rst
ixpk= 345, nxpk= 10, iat=1048,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 CYS HB2 69 CYS HN 2.8 (# 346:10 Unique)
&rst
ixpk= 346, nxpk= 10, iat=1047,1043, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 MET HB3 69 CYS HN 3.5 (# 347:10 Unique)
&rst
ixpk= 347, nxpk= 10, iat= 968,1043, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 GLN HN 69 CYS HN 4.5 (# 348:10 Unique)
&rst
ixpk= 348, nxpk= 10, iat=1019,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 LYS HB+ 111 ALA HN 3.5 (# 349:10 Unique)
&rst
ixpk= 349, nxpk= 10, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1654,1655,
&end
#
# 111 ALA MB 111 ALA HN 2.8 (# 350:10 Unique)
&rst
ixpk= 350, nxpk= 10, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1676,1677,1678,
&end
#
# 110 LYS HN 111 ALA HN 3.5 (# 351:10 Unique)
&rst
ixpk= 351, nxpk= 10, iat=1650,1672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 LYS HN 111 ALA HN 2.8 (# 352:10 Unique)
&rst
ixpk= 352, nxpk= 10, iat=1682,1672, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:353 111 ALA HN 2.8 (# 353:10 Single)
&rst
ixpk= 353, nxpk= 10, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1674,1611,
&end
#
# 110 LYS HB- 111 ALA HN 3.5 (# 354:10 Unique)
&rst
ixpk= 354, nxpk= 10, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1654,1655,
&end
#
# 0 AMB 10-2:355 111 ALA HN 3.5 (# 355:10 Single)
&rst
ixpk= 355, nxpk= 10, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1657,1658,1660,1661,1686,1687,1635,1614,
&end
#
# 27 VAL HN 41 LYS HN 3.5 (# 356:10 Unique)
&rst
ixpk= 356, nxpk= 10, iat= 408, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 SER HA 41 LYS HN 2.8 (# 357:10 Unique)
&rst
ixpk= 357, nxpk= 10, iat= 579, 588, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 41 LYS HA 41 LYS HN 3.5 (# 358:10 Unique)
&rst
ixpk= 358, nxpk= 10, iat= 590, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 SER HB3 41 LYS HN 3.5 (# 359:10 Unique)
&rst
ixpk= 359, nxpk= 10, iat= 582, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 SER HB2 41 LYS HN 3.5 (# 360:10 Unique)
&rst
ixpk= 360, nxpk= 10, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 LYS HB- 41 LYS HN 3.5 (# 361:10 Unique)
&rst
ixpk= 361, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 592, 593,
&end
#
# 0 AMB 10-2:362 41 LYS HN 3.5 (# 362:10 Single)
&rst
ixpk= 362, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 595, 596, 414, 415, 416, 418, 419, 420, 391, 392,
&end
#
# 6 LEU MDX 41 LYS HN 3.5 (# 363:10 Unique)
&rst
ixpk= 363, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 0 AMB 10-2:364 41 LYS HN 4.5 (# 364:10 Single)
&rst
ixpk= 364, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 426, 386,
&end
#
# 14 ILE HN 14 ILE HA 3.5 (# 365:10 Double)
&rst
ixpk= 365, nxpk= 10, iat= 190, 192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 ASP HB2 0 AMB 10-1:366 4.5 (# 366:10 Single)
&rst
ixpk= 366, nxpk= 10, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 162, 190,
&end
#
# 13 ASP HN 0 AMB 10-1:367 4.5 (# 367:10 Single)
&rst
ixpk= 367, nxpk= 10, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 162, 190,
&end
#
# 13 ASP HA 14 ILE HN 2.8 (# 368:10 Unique)
&rst
ixpk= 368, nxpk= 10, iat= 180, 190, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 12 VAL HA 12 VAL HN 3.5 (# 369:10 Unique)
&rst
ixpk= 369, nxpk= 10, iat= 164, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:370 12 VAL HN 2.8 (# 370:10 Single)
&rst
ixpk= 370, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 154, 155,1695,1696,
&end
#
# 12 VAL HN 12 VAL HB 3.5 (# 371:10 Unique)
&rst
ixpk= 371, nxpk= 10, iat= 162, 166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:372 0 AMB 10-1:372 2.8 (# 372:10 Double)
&rst
ixpk= 372, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 200, 201, 143, 144,1692,1693,
igr2= 190, 162,
&end
#
# 0 AMB 10-2:373 0 AMB 10-1:373 2.8 (# 373:10 Double)
&rst
ixpk= 373, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 168, 169, 170, 172, 173, 174, 200, 201,
igr2= 162, 190,
&end
#
# 12 VAL HN 12 VAL MGX 2.8 (# 374:10 Double)
&rst
ixpk= 374, nxpk= 10, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 47 TYR HD 47 TYR HN 3.5 (# 375:10 Unique)
&rst
ixpk= 375, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 699, 708,
&end
#
# 46 GLY HA+ 47 TYR HN 2.8 (# 376:10 Unique)
&rst
ixpk= 376, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 686, 687,
&end
#
# 46 GLY HA- 47 TYR HN 2.8 (# 377:10 Unique)
&rst
ixpk= 377, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 686, 687,
&end
#
# 56 ILE QD1 47 TYR HN 2.8 (# 378:10 Unique)
&rst
ixpk= 378, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 856, 857, 858,
&end
#
# 70 ASP HA 71 CYS HN 2.8 (# 379:10 Unique)
&rst
ixpk= 379, nxpk= 10, iat=1056,1066, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 ASP HB- 12 VAL HN 3.5 (# 380:10 Unique)
&rst
ixpk= 380, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 154, 155,
&end
#
# 71 CYS HA 71 CYS HN 3.5 (# 381:10 Unique)
&rst
ixpk= 381, nxpk= 10, iat=1068,1066, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:382 71 CYS HN 3.5 (# 382:10 Single)
&rst
ixpk= 382, nxpk= 10, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1058,1059, 987, 988,
&end
#
# 70 ASP HB- 71 CYS HN 4.5 (# 383:10 Unique)
&rst
ixpk= 383, nxpk= 10, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1058,1059,
&end
#
# 71 CYS HB2 71 CYS HN 3.5 (# 384:10 Unique)
&rst
ixpk= 384, nxpk= 10, iat=1070,1066, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 ILE HN 108 LYS HN 3.5 (# 385:10 Unique)
&rst
ixpk= 385, nxpk= 10, iat=1631,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 LYS HA 108 LYS HN 3.5 (# 386:10 Unique)
&rst
ixpk= 386, nxpk= 10, iat=1611,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 GLU HB+ 108 LYS HN 3.5 (# 387:10 Unique)
&rst
ixpk= 387, nxpk= 10, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1598,1599,
&end
#
# 108 LYS HB2 108 LYS HN 3.5 (# 388:10 Unique)
&rst
ixpk= 388, nxpk= 10, iat=1613,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:389 108 LYS HN 2.8 (# 389:10 Single)
&rst
ixpk= 389, nxpk= 10, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1616,1617,1614,
&end
#
# 108 LYS HG+ 108 LYS HN 3.5 (# 390:10 Unique)
&rst
ixpk= 390, nxpk= 10, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1616,1617,
&end
#
# 57 TYR HN 56 ILE HN 3.5 (# 391:10 Unique)
&rst
ixpk= 391, nxpk= 10, iat= 862, 843, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:392 56 ILE HN 3.5 (# 392:10 Single)
&rst
ixpk= 392, nxpk= 10, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 845, 806,
&end
#
# 56 ILE HB 56 ILE HN 3.5 (# 393:10 Unique)
&rst
ixpk= 393, nxpk= 10, iat= 847, 843, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 ILE HG1- 56 ILE HN 3.5 (# 394:10 Unique)
&rst
ixpk= 394, nxpk= 10, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 853, 854,
&end
#
# 0 AMB 10-2:395 56 ILE HN 2.8 (# 395:10 Single)
&rst
ixpk= 395, nxpk= 10, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 762, 763, 764, 856, 857, 858, 336, 337, 338, 340,
341, 342,
&end
#
# 56 ILE HG1+ 56 ILE HN 3.5 (# 396:10 Unique)
&rst
ixpk= 396, nxpk= 10, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 853, 854,
&end
#
# 40 SER HA 29 SER HN 3.5 (# 397:10 Unique)
&rst
ixpk= 397, nxpk= 10, iat= 579, 441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 HIS HA 29 SER HN 2.8 (# 398:10 Unique)
&rst
ixpk= 398, nxpk= 10, iat= 426, 441, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 29 SER HA 29 SER HN 3.5 (# 399:10 Unique)
&rst
ixpk= 399, nxpk= 10, iat= 443, 441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 SER HB+ 29 SER HN 3.5 (# 400:10 Unique)
&rst
ixpk= 400, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 445, 446,
&end
#
# 29 SER HB- 29 SER HN 3.5 (# 401:10 Unique)
&rst
ixpk= 401, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 445, 446,
&end
#
# 28 HIS HB3 29 SER HN 3.5 (# 402:10 Unique)
&rst
ixpk= 402, nxpk= 10, iat= 429, 441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 LEU MDX 29 SER HN 3.5 (# 403:10 Unique)
&rst
ixpk= 403, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 51 GLU HB- 52 TYR HN 3.5 (# 404:10 Unique)
&rst
ixpk= 404, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 772, 773,
&end
#
# 51 GLU HN 52 TYR HN 2.8 (# 405:10 Unique)
&rst
ixpk= 405, nxpk= 10, iat= 768, 783, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:406 52 TYR HN 3.5 (# 406:10 Single)
&rst
ixpk= 406, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 831, 791, 800,
&end
#
# 52 TYR HB- 52 TYR HN 3.5 (# 407:10 Unique)
&rst
ixpk= 407, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 787, 788,
&end
#
# 0 AMB 10-2:408 52 TYR HN 3.5 (# 408:10 Single)
&rst
ixpk= 408, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 775, 776, 772, 773,
&end
#
# 54 ALA HN 55 ASP HN 3.5 (# 409:10 Unique)
&rst
ixpk= 409, nxpk= 10, iat= 821, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ASP HA 55 ASP HN 3.5 (# 410:10 Unique)
&rst
ixpk= 410, nxpk= 10, iat= 833, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 TYR HB+ 55 ASP HN 3.5 (# 411:10 Unique)
&rst
ixpk= 411, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 787, 788,
&end
#
# 55 ASP HB2 55 ASP HN 3.5 (# 412:10 Unique)
&rst
ixpk= 412, nxpk= 10, iat= 835, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ASP HB3 55 ASP HN 3.5 (# 413:10 Unique)
&rst
ixpk= 413, nxpk= 10, iat= 836, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 TYR HB- 55 ASP HN 3.5 (# 414:10 Unique)
&rst
ixpk= 414, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 787, 788,
&end
#
# 0 AMB 10-2:415 0 AMB 10-1:415 3.5 (# 415:10 Double)
&rst
ixpk= 415, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 762, 763, 764, 130, 131, 132, 856, 857, 858,
igr2= 831, 98,
&end
#
# 40 SER HA 40 SER HN 3.5 (# 417:10 Unique)
&rst
ixpk= 417, nxpk= 10, iat= 579, 577, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 GLU HB- 40 SER HN 3.5 (# 418:10 Unique)
&rst
ixpk= 418, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 566, 567,
&end
#
# 39 GLU HA 40 SER HN 2.8 (# 419:10 Unique)
&rst
ixpk= 419, nxpk= 10, iat= 564, 577, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:420 40 SER HN 4.5 (# 420:10 Single)
&rst
ixpk= 420, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 569, 570, 569, 570,
&end
#
# 39 GLU HB+ 40 SER HN 3.5 (# 421:10 Unique)
&rst
ixpk= 421, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 566, 567,
&end
#
# 8 LEU HA 8 LEU HN 3.5 (# 422:10 Unique)
&rst
ixpk= 422, nxpk= 10, iat= 100, 98, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 LEU HB+ 8 LEU HN 2.8 (# 423:10 Unique)
&rst
ixpk= 423, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 102, 103,
&end
#
# 8 LEU HG 8 LEU HN 2.8 (# 424:10 Unique)
&rst
ixpk= 424, nxpk= 10, iat= 105, 98, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 8 LEU HN 7 ALA MB 3.5 (# 425:10 Unique)
&rst
ixpk= 425, nxpk= 10, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 92, 93, 94,
&end
#
# 0 AMB 10-2:426 8 LEU HN 4.5 (# 426:10 Single)
&rst
ixpk= 426, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 107, 108, 109, 111, 112, 113, 130, 131, 132,
&end
#
# 7 ALA HN 8 LEU HN 3.5 (# 427:10 Unique)
&rst
ixpk= 427, nxpk= 10, iat= 88, 98, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 LEU MDX 8 LEU HN 4.5 (# 428:10 Unique)
&rst
ixpk= 428, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 10-2:429 67 GLN HN 4.5 (# 429:10 Single)
&rst
ixpk= 429, nxpk= 10, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1004,1005,1007,1008,
&end
#
# 67 GLN HN 66 LYS HA 3.5 (# 430:10 Single)
&rst
ixpk= 430, nxpk= 10, iat=1019, 999, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 GLY HN 67 GLN HN 2.8 (# 431:10 Unique)
&rst
ixpk= 431, nxpk= 10, iat=1036,1019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 66 LYS HN 67 GLN HN 2.8 (# 432:10 Unique)
&rst
ixpk= 432, nxpk= 10, iat= 997,1019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 67 GLN HA 67 GLN HN 2.8 (# 433:10 Unique)
&rst
ixpk= 433, nxpk= 10, iat=1021,1019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:434 67 GLN HN 3.5 (# 434:10 Single)
&rst
ixpk= 434, nxpk= 10, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 965, 982,
&end
#
# 67 GLN HG+ 67 GLN HN 2.8 (# 435:10 Unique)
&rst
ixpk= 435, nxpk= 10, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1026,1027,
&end
#
# 67 GLN HB2 67 GLN HN 2.8 (# 436:10 Unique)
&rst
ixpk= 436, nxpk= 10, iat=1023,1019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:437 61 SER HN 3.5 (# 437:10 Single)
&rst
ixpk= 437, nxpk= 10, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 923, 924, 925, 927, 928, 929, 371, 372, 373,
&end
#
# 60 VAL HN 61 SER HN 2.8 (# 438:10 Unique)
&rst
ixpk= 438, nxpk= 10, iat= 917, 933, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 62 GLY HN 61 SER HN 2.8 (# 439:10 Unique)
&rst
ixpk= 439, nxpk= 10, iat= 944, 933, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:440 61 SER HN 2.8 (# 440:10 Single)
&rst
ixpk= 440, nxpk= 10, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 935, 885,
&end
#
# 0 AMB 10-2:441 61 SER HN 3.5 (# 441:10 Single)
&rst
ixpk= 441, nxpk= 10, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 919, 864,
&end
#
# 61 SER HB+ 61 SER HN 3.5 (# 442:10 Unique)
&rst
ixpk= 442, nxpk= 10, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 937, 938,
&end
#
# 61 SER HB- 61 SER HN 2.8 (# 443:10 Unique)
&rst
ixpk= 443, nxpk= 10, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 937, 938,
&end
#
# 60 VAL HB 61 SER HN 2.8 (# 444:10 Unique)
&rst
ixpk= 444, nxpk= 10, iat= 921, 933, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 VAL MGY 61 SER HN 3.5 (# 445:10 Unique)
&rst
ixpk= 445, nxpk= 10, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 923, 924, 925, 927, 928, 929,
&end
#
# 0 AMB 10-2:446 93 TYR HN 2.8 (# 446:10 Single)
&rst
ixpk= 446, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1390,1391,1138,1139,
&end
#
# 107 GLU HN 106 THR HN 3.5 (# 447:10 Unique)
&rst
ixpk= 447, nxpk= 10, iat=1594,1580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 SER HN 106 THR HN 3.5 (# 448:10 Unique)
&rst
ixpk= 448, nxpk= 10, iat=1569,1580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:449 106 THR HN 2.8 (# 449:10 Single)
&rst
ixpk= 449, nxpk= 10, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1573,1584,1525,
&end
#
# 0 AMB 10-2:450 106 THR HN 3.5 (# 450:10 Single)
&rst
ixpk= 450, nxpk= 10, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1582,1574,
&end
#
# 106 THR MG2 106 THR HN 3.5 (# 451:10 Unique)
&rst
ixpk= 451, nxpk= 10, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1586,1587,1588,
&end
#
# 106 THR HN 105 SER HN 3.5 (# 452:10 Unique)
&rst
ixpk= 452, nxpk= 10, iat=1580,1569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 ILE HN 105 SER HN 2.8 (# 453:10 Unique)
&rst
ixpk= 453, nxpk= 10, iat=1550,1569, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:454 105 SER HN 2.8 (# 454:10 Single)
&rst
ixpk= 454, nxpk= 10, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1573,1525,
&end
#
# 105 SER HA 105 SER HN 2.8 (# 455:10 Unique)
&rst
ixpk= 455, nxpk= 10, iat=1571,1569, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 105 SER HB3 105 SER HN 3.5 (# 456:10 Unique)
&rst
ixpk= 456, nxpk= 10, iat=1574,1569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 ILE HB 105 SER HN 2.8 (# 457:10 Unique)
&rst
ixpk= 457, nxpk= 10, iat=1554,1569, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:458 105 SER HN 2.8 (# 458:10 Single)
&rst
ixpk= 458, nxpk= 10, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 355, 356, 357, 359, 360, 361,1556,1557,1558,
&end
#
# 120 TRP HD1 120 TRP HN 3.5 (# 459:10 Unique)
&rst
ixpk= 459, nxpk= 10, iat=1825,1817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 TRP HA 120 TRP HN 3.5 (# 460:10 Unique)
&rst
ixpk= 460, nxpk= 10, iat=1819,1817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 THR HA 120 TRP HN 2.8 (# 461:10 Unique)
&rst
ixpk= 461, nxpk= 10, iat=1805,1817, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 119 THR HB 120 TRP HN 2.8 (# 462:10 Unique)
&rst
ixpk= 462, nxpk= 10, iat=1807,1817, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 120 TRP HB+ 120 TRP HN 3.5 (# 463:10 Unique)
&rst
ixpk= 463, nxpk= 10, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1821,1822,
&end
#
# 0 AMB 10-2:464 120 TRP HN 3.5 (# 464:10 Single)
&rst
ixpk= 464, nxpk= 10, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1809,1810,1811,1586,1587,1588,
&end
#
# 25 ILE HN 43 ILE HN 3.5 (# 465:10 Unique)
&rst
ixpk= 465, nxpk= 10, iat= 365, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 GLU HA 43 ILE HN 2.8 (# 466:10 Unique)
&rst
ixpk= 466, nxpk= 10, iat= 612, 625, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:467 43 ILE HN 3.5 (# 467:10 Single)
&rst
ixpk= 467, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 614, 615, 617, 618,
&end
#
# 0 AMB 10-2:468 43 ILE HN 3.5 (# 468:10 Single)
&rst
ixpk= 468, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 614, 615, 369,
&end
#
# 43 ILE HG1- 43 ILE HN 3.5 (# 469:10 Unique)
&rst
ixpk= 469, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 635, 636,
&end
#
# 43 ILE HG1+ 43 ILE HN 3.5 (# 470:10 Unique)
&rst
ixpk= 470, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 635, 636,
&end
#
# 0 AMB 10-2:471 43 ILE HN 2.8 (# 471:10 Single)
&rst
ixpk= 471, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 355, 356, 357, 359, 360, 361, 631, 632, 633,
&end
#
# 22 TYR HA 23 VAL HN 2.8 (# 472:10 Unique)
&rst
ixpk= 472, nxpk= 10, iat= 311, 330, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:473 23 VAL HN 3.5 (# 473:10 Single)
&rst
ixpk= 473, nxpk= 10, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 332, 686, 687,
&end
#
# 0 AMB 10-2:474 23 VAL HN 2.8 (# 474:10 Single)
&rst
ixpk= 474, nxpk= 10, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
341, 342,
&end
#
# 82 GLN HG+ 82 GLN HE2+ 3.5 (# 476:10 Unique)
&rst
ixpk= 476, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1221,1222,
igr2=1226,1227,
&end
#
# 122 ASN HB+ 122 ASN HD2+ 3.5 (# 480:10 Unique)
&rst
ixpk= 480, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1855,1856,
igr2=1860,1861,
&end
#
# 122 ASN HB- 122 ASN HD2+ 3.5 (# 481:10 Unique)
&rst
ixpk= 481, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1855,1856,
igr2=1860,1861,
&end
#
# 122 ASN HB- 122 ASN HD2- 3.5 (# 483:10 Unique)
&rst
ixpk= 483, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1855,1856,
igr2=1860,1861,
&end
#
# 61 SER HN 62 GLY HN 2.8 (# 494:10 Unique)
&rst
ixpk= 494, nxpk= 10, iat= 933, 944, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 ASP HN 62 GLY HN 2.8 (# 495:10 Unique)
&rst
ixpk= 495, nxpk= 10, iat= 951, 944, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:496 62 GLY HN 3.5 (# 496:10 Single)
&rst
ixpk= 496, nxpk= 10, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 897, 935, 885,
&end
#
# 62 GLY HA+ 62 GLY HN 2.8 (# 497:10 Unique)
&rst
ixpk= 497, nxpk= 10, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 946, 947,
&end
#
# 62 GLY HA- 62 GLY HN 2.8 (# 498:10 Unique)
&rst
ixpk= 498, nxpk= 10, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 946, 947,
&end
#
# 67 GLN HG+ 67 GLN HE2+ 3.5 (# 500:10 Unique)
&rst
ixpk= 500, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1026,1027,
igr2=1031,1032,
&end
#
# 67 GLN HG+ 67 GLN HE2- 3.5 (# 503:10 Unique)
&rst
ixpk= 503, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1026,1027,
igr2=1031,1032,
&end
#
# 30 ALA HA 30 ALA HN 4.5 (# 504:10 Unique)
&rst
ixpk= 504, nxpk= 10, iat= 454, 452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:505 30 ALA HN 5.5 (# 505:10 Single)
&rst
ixpk= 505, nxpk= 10, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 445, 446,1038,1039,
&end
#
# 29 SER HB+ 30 ALA HN 5.5 (# 506:10 Unique)
&rst
ixpk= 506, nxpk= 10, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 445, 446,
&end
#
# 0 AMB 10-2:507 30 ALA HN 4.5 (# 507:10 Single)
&rst
ixpk= 507, nxpk= 10, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 445, 446,1038,1039,
&end
#
# 29 SER HB+ 30 ALA HN 5.5 (# 508:10 Unique)
&rst
ixpk= 508, nxpk= 10, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 445, 446,
&end
#
# 0 AMB 10-2:509 30 ALA HN 5.5 (# 509:10 Single)
&rst
ixpk= 509, nxpk= 10, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 441, 69,
&end
#
# 0 AMB 10-2:510 30 ALA HN 5.5 (# 510:10 Single)
&rst
ixpk= 510, nxpk= 10, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 441, 69,
&end
#
# 5 ASP HN 6 LEU HN 5.5 (# 512:10 Unique)
&rst
ixpk= 512, nxpk= 10, iat= 57, 69, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ASP HN 4 ALA HN 5.5 (# 513:10 Single)
&rst
ixpk= 513, nxpk= 10, iat= 57, 47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 PHE HA 20 PHE HN 3.5 (# 514:10 Unique)
&rst
ixpk= 514, nxpk= 10, iat= 269, 267, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 ARG HA 20 PHE HN 5.5 (# 515:10 Unique)
&rst
ixpk= 515, nxpk= 10, iat=1145, 267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:516 20 PHE HN 4.5 (# 516:10 Single)
&rst
ixpk= 516, nxpk= 10, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 287,1167,
&end
#
# 105 SER HN 103 ALA HN 5.5 (# 517:10 Unique)
&rst
ixpk= 517, nxpk= 10, iat=1569,1540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 HIS HN 103 ALA HN 3.5 (# 518:10 Unique)
&rst
ixpk= 518, nxpk= 10, iat=1523,1540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 VAL MGY 20 PHE HN 5.5 (# 519:10 Unique)
&rst
ixpk= 519, nxpk= 10, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 257, 258, 259, 261, 262, 263,
&end
#
# 60 VAL MGX 64 MET HN 4.5 (# 520:10 Unique)
&rst
ixpk= 520, nxpk= 10, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 923, 924, 925, 927, 928, 929,
&end
#
# 64 MET ME 64 MET HN 4.5 (# 521:10 Unique)
&rst
ixpk= 521, nxpk= 10, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 974, 975, 976,
&end
#
# 61 SER HA 64 MET HN 4.5 (# 522:10 Unique)
&rst
ixpk= 522, nxpk= 10, iat= 935, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:523 64 MET HN 5.5 (# 523:10 Single)
&rst
ixpk= 523, nxpk= 10, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 919, 946, 947,
&end
#
# 0 AMB 10-2:524 22 TYR HN 5.5 (# 524:10 Single)
&rst
ixpk= 524, nxpk= 10, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 287,1167,
&end
#
# 23 VAL HN 22 TYR HN 7.0 (# 525:10 Unique)
&rst
ixpk= 525, nxpk= 10, iat= 330, 309, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:526 22 TYR HN 7.0 (# 526:10 Single)
&rst
ixpk= 526, nxpk= 10, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 691,1536,
&end
#
# 22 TYR HA 22 TYR HN 5.5 (# 527:10 Unique)
&rst
ixpk= 527, nxpk= 10, iat= 311, 309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ARG HA 22 TYR HN 4.5 (# 528:10 Unique)
&rst
ixpk= 528, nxpk= 10, iat=1145, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:529 22 TYR HN 5.5 (# 529:10 Single)
&rst
ixpk= 529, nxpk= 10, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 313, 314, 808, 809,
&end
#
# 22 TYR HB- 22 TYR HN 5.5 (# 530:10 Unique)
&rst
ixpk= 530, nxpk= 10, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 313, 314,
&end
#
# 0 AMB 10-2:531 22 TYR HN 3.5 (# 531:10 Single)
&rst
ixpk= 531, nxpk= 10, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 291,1150,1151, 297, 298,
&end
#
# 78 ARG HB+ 22 TYR HN 5.5 (# 532:10 Unique)
&rst
ixpk= 532, nxpk= 10, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1147,1148,
&end
#
# 78 ARG HG- 22 TYR HN 5.5 (# 534:10 Unique)
&rst
ixpk= 534, nxpk= 10, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1150,1151,
&end
#
# 79 ILE HG1+ 79 ILE HN 7.0 (# 536:10 Unique)
&rst
ixpk= 536, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1177,1178,
&end
#
# 20 PHE HB+ 21 LYS HN 5.5 (# 537:10 Unique)
&rst
ixpk= 537, nxpk= 10, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 271, 272,
&end
#
# 0 AMB 10-2:538 0 AMB 10-1:538 3.5 (# 538:10 Double)
&rst
ixpk= 538, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 289,1169, 714,
igr2= 287,1167,
&end
#
# 78 ARG HA 79 ILE HN 4.5 (# 540:10 Unique)
&rst
ixpk= 540, nxpk= 10, iat=1145,1167, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 PHE HN 0 AMB 10-1:541 4.5 (# 541:10 Single)
&rst
ixpk= 541, nxpk= 10, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 287,1167,
&end
#
# 79 ILE HB 79 ILE HN 4.5 (# 542:10 Unique)
&rst
ixpk= 542, nxpk= 10, iat=1171,1167, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 TYR HB+ 23 VAL HN 3.5 (# 543:10 Unique)
&rst
ixpk= 543, nxpk= 10, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 313, 314,
&end
#
# 22 TYR HB- 23 VAL HN 4.5 (# 544:10 Unique)
&rst
ixpk= 544, nxpk= 10, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 313, 314,
&end
#
# 23 VAL HB 23 VAL HN 5.5 (# 545:10 Unique)
&rst
ixpk= 545, nxpk= 10, iat= 334, 330, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 GLY HA- 23 VAL HN 5.5 (# 546:10 Unique)
&rst
ixpk= 546, nxpk= 10, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 686, 687,
&end
#
# 0 AMB 10-2:547 23 VAL HN 5.5 (# 547:10 Single)
&rst
ixpk= 547, nxpk= 10, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 691,1536,
&end
#
# 47 TYR HD 23 VAL HN 7.0 (# 548:10 Unique)
&rst
ixpk= 548, nxpk= 10, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 699, 708,
&end
#
# 45 ARG HN 23 VAL HN 4.5 (# 549:10 Unique)
&rst
ixpk= 549, nxpk= 10, iat= 660, 330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 TYR HN 23 VAL HN 5.5 (# 550:10 Unique)
&rst
ixpk= 550, nxpk= 10, iat= 309, 330, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ILE HN 24 LEU HN 7.0 (# 551:10 Unique)
&rst
ixpk= 551, nxpk= 10, iat= 365, 346, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 25 ILE HN 24 LEU HN 5.5 (# 552:10 Unique)
&rst
ixpk= 552, nxpk= 10, iat= 365, 346, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:553 24 LEU HN 4.5 (# 553:10 Single)
&rst
ixpk= 553, nxpk= 10, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1122, 319, 324,
&end
#
# 0 AMB 10-2:554 24 LEU HN 5.5 (# 554:10 Single)
&rst
ixpk= 554, nxpk= 10, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1464,1469,1536,
&end
#
# 24 LEU HA 24 LEU HN 4.5 (# 555:10 Unique)
&rst
ixpk= 555, nxpk= 10, iat= 348, 346, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 GLY HA+ 24 LEU HN 3.5 (# 556:10 Unique)
&rst
ixpk= 556, nxpk= 10, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1131,1132,
&end
#
# 76 GLY HA- 24 LEU HN 4.5 (# 557:10 Unique)
&rst
ixpk= 557, nxpk= 10, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1131,1132,
&end
#
# 24 LEU HG 24 LEU HN 4.5 (# 558:10 Unique)
&rst
ixpk= 558, nxpk= 10, iat= 353, 346, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 LEU HB3 24 LEU HN 7.0 (# 559:10 Unique)
&rst
ixpk= 559, nxpk= 10, iat=1108, 346, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 100 ALA MB 24 LEU HN 3.5 (# 560:10 Unique)
&rst
ixpk= 560, nxpk= 10, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1500,1501,1502,
&end
#
# 0 AMB 10-2:561 25 ILE HN 3.5 (# 561:10 Single)
&rst
ixpk= 561, nxpk= 10, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 367, 646,
&end
#
# 43 ILE HN 25 ILE HN 4.5 (# 562:10 Unique)
&rst
ixpk= 562, nxpk= 10, iat= 625, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:563 25 ILE HN 5.5 (# 563:10 Single)
&rst
ixpk= 563, nxpk= 10, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 627, 662,
&end
#
# 25 ILE HN 42 GLU HB+ 5.5 (# 564:10 Single)
&rst
ixpk= 564, nxpk= 10, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 614, 615,
&end
#
# 43 ILE HG1+ 25 ILE HN 4.5 (# 565:10 Unique)
&rst
ixpk= 565, nxpk= 10, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 635, 636,
&end
#
# 43 ILE QD1 25 ILE HN 4.5 (# 566:10 Unique)
&rst
ixpk= 566, nxpk= 10, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 638, 639, 640,
&end
#
# 27 VAL HA 27 VAL HN 3.5 (# 567:10 Unique)
&rst
ixpk= 567, nxpk= 10, iat= 410, 408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 ILE HN 26 ARG HN 4.5 (# 568:10 Unique)
&rst
ixpk= 568, nxpk= 10, iat= 365, 384, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 ARG HA 26 ARG HN 5.5 (# 569:10 Unique)
&rst
ixpk= 569, nxpk= 10, iat= 386, 384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 CYS HA 26 ARG HN 5.5 (# 570:10 Unique)
&rst
ixpk= 570, nxpk= 10, iat=1094, 384, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 LEU HG 26 ARG HN 3.5 (# 571:10 Unique)
&rst
ixpk= 571, nxpk= 10, iat=1110, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:572 26 ARG HN 4.5 (# 572:10 Single)
&rst
ixpk= 572, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 391, 392,1107, 353, 635, 636,
&end
#
# 74 LEU MDY 26 ARG HN 4.5 (# 573:10 Unique)
&rst
ixpk= 573, nxpk= 10, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1112,1113,1114,1116,1117,1118,
&end
#
# 43 ILE HN 27 VAL HN 5.5 (# 574:10 Unique)
&rst
ixpk= 574, nxpk= 10, iat= 625, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 VAL HN 28 HIS HN 5.5 (# 575:10 Single)
&rst
ixpk= 575, nxpk= 10, iat= 408, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:576 27 VAL HN 5.5 (# 576:10 Single)
&rst
ixpk= 576, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 394, 395, 429,
&end
#
# 0 AMB 10-2:577 27 VAL HN 4.5 (# 577:10 Single)
&rst
ixpk= 577, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 388, 617, 618,1081,1082, 592, 593,
&end
#
# 26 ARG HG+ 27 VAL HN 3.5 (# 578:10 Unique)
&rst
ixpk= 578, nxpk= 10, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 391, 392,
&end
#
# 27 VAL HN 6 LEU MDX 4.5 (# 579:10 Single)
&rst
ixpk= 579, nxpk= 10, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 28 HIS HA 28 HIS HN 3.5 (# 580:10 Unique)
&rst
ixpk= 580, nxpk= 10, iat= 426, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 HIS HD2 28 HIS HN 4.5 (# 581:10 Unique)
&rst
ixpk= 581, nxpk= 10, iat= 437, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 ASP HN 28 HIS HN 3.5 (# 582:10 Unique)
&rst
ixpk= 582, nxpk= 10, iat=1054, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 SER HN 28 HIS HN 5.5 (# 583:10 Unique)
&rst
ixpk= 583, nxpk= 10, iat= 441, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 CYS HB3 28 HIS HN 5.5 (# 585:10 Unique)
&rst
ixpk= 585, nxpk= 10, iat=1048, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:586 28 HIS HN 5.5 (# 586:10 Single)
&rst
ixpk= 586, nxpk= 10, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1058,1059,1047,
&end
#
# 70 ASP HB+ 28 HIS HN 5.5 (# 587:10 Unique)
&rst
ixpk= 587, nxpk= 10, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1058,1059,
&end
#
# 27 VAL HB 28 HIS HN 4.5 (# 588:10 Unique)
&rst
ixpk= 588, nxpk= 10, iat= 412, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LEU MDX 28 HIS HN 5.5 (# 589:10 Unique)
&rst
ixpk= 589, nxpk= 10, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 0 AMB 10-2:590 29 SER HN 5.5 (# 590:10 Single)
&rst
ixpk= 590, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 414, 415, 416, 418, 419, 420, 595, 596,
&end
#
# 29 SER HN 30 ALA MB 5.5 (# 591:10 Single)
&rst
ixpk= 591, nxpk= 10, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 456, 457, 458,
&end
#
# 28 HIS HB2 29 SER HN 4.5 (# 592:10 Unique)
&rst
ixpk= 592, nxpk= 10, iat= 428, 441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 SER HB2 29 SER HN 5.5 (# 593:10 Unique)
&rst
ixpk= 593, nxpk= 10, iat= 581, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 SER HB3 29 SER HN 5.5 (# 594:10 Unique)
&rst
ixpk= 594, nxpk= 10, iat= 582, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 ALA HA 29 SER HN 5.5 (# 595:10 Unique)
&rst
ixpk= 595, nxpk= 10, iat= 554, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:596 29 SER HN 4.5 (# 596:10 Single)
&rst
ixpk= 596, nxpk= 10, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 452, 577, 552,
&end
#
# 108 LYS HA 109 ILE HN 5.5 (# 598:10 Unique)
&rst
ixpk= 598, nxpk= 10, iat=1611,1631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 TYR HA 121 ALA HN 4.5 (# 599:10 Unique)
&rst
ixpk= 599, nxpk= 10, iat=1369,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 ALA HA 121 ALA HN 4.5 (# 600:10 Unique)
&rst
ixpk= 600, nxpk= 10, iat=1843,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 TRP HZ3 121 ALA HN 5.5 (# 601:10 Unique)
&rst
ixpk= 601, nxpk= 10, iat=1834,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 HIS HA 119 THR HN 3.5 (# 602:10 Unique)
&rst
ixpk= 602, nxpk= 10, iat=1336,1803, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 THR HA 119 THR HN 5.5 (# 603:10 Unique)
&rst
ixpk= 603, nxpk= 10, iat=1805,1803, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:604 119 THR HN 3.5 (# 604:10 Single)
&rst
ixpk= 604, nxpk= 10, iat= -1,1803, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1809,1810,1811,1586,1587,1588,
&end
#
# 119 THR HN 118 VAL HB 5.5 (# 605:10 Double)
&rst
ixpk= 605, nxpk= 10, iat=1803,1791, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:607 35 ALA HN 5.5 (# 607:10 Single)
&rst
ixpk= 607, nxpk= 10, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 538, 472,
&end
#
# 32 ARG HA 35 ALA HN 7.0 (# 608:10 Unique)
&rst
ixpk= 608, nxpk= 10, iat= 478, 518, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 37 ALA HN 36 PRO HD- 4.5 (# 611:10 Single)
&rst
ixpk= 611, nxpk= 10, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 529, 530,
&end
#
# 37 ALA HN 36 PRO HG+ 4.5 (# 612:10 Single)
&rst
ixpk= 612, nxpk= 10, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 532, 533,
&end
#
# 29 SER HB- 39 GLU HN 5.5 (# 619:10 Unique)
&rst
ixpk= 619, nxpk= 10, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 445, 446,
&end
#
# 29 SER HB+ 39 GLU HN 5.5 (# 620:10 Unique)
&rst
ixpk= 620, nxpk= 10, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 445, 446,
&end
#
# 28 HIS HA 39 GLU HN 7.0 (# 621:10 Unique)
&rst
ixpk= 621, nxpk= 10, iat= 426, 562, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 40 SER HA 39 GLU HN 5.5 (# 622:10 Unique)
&rst
ixpk= 622, nxpk= 10, iat= 579, 562, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 SER HN 39 GLU HN 4.5 (# 623:10 Unique)
&rst
ixpk= 623, nxpk= 10, iat= 441, 562, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LEU MDX 39 GLU HN 5.5 (# 624:10 Unique)
&rst
ixpk= 624, nxpk= 10, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 40 SER HB2 40 SER HN 4.5 (# 629:10 Unique)
&rst
ixpk= 629, nxpk= 10, iat= 581, 577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 SER HB3 40 SER HN 4.5 (# 630:10 Unique)
&rst
ixpk= 630, nxpk= 10, iat= 582, 577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 HIS HA 40 SER HN 5.5 (# 631:10 Unique)
&rst
ixpk= 631, nxpk= 10, iat= 426, 577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LEU MDX 40 SER HN 4.5 (# 633:10 Unique)
&rst
ixpk= 633, nxpk= 10, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 41 LYS HN 40 SER HN 4.5 (# 634:10 Unique)
&rst
ixpk= 634, nxpk= 10, iat= 588, 577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 SER HN 40 SER HN 7.0 (# 635:10 Unique)
&rst
ixpk= 635, nxpk= 10, iat= 441, 577, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 27 VAL HA 41 LYS HN 5.5 (# 636:10 Unique)
&rst
ixpk= 636, nxpk= 10, iat= 410, 588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLU HN 41 LYS HN 5.5 (# 638:10 Unique)
&rst
ixpk= 638, nxpk= 10, iat= 610, 588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HN 40 SER HN 5.5 (# 639:10 Unique)
&rst
ixpk= 639, nxpk= 10, iat= 588, 577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:640 41 LYS HN 5.5 (# 640:10 Single)
&rst
ixpk= 640, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 394, 395, 394, 395, 429,
&end
#
# 41 LYS HN 41 LYS HD- 5.5 (# 641:10 Single)
&rst
ixpk= 641, nxpk= 10, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 598, 599,
&end
#
# 26 ARG HG+ 41 LYS HN 5.5 (# 642:10 Unique)
&rst
ixpk= 642, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 391, 392,
&end
#
# 41 LYS HG+ 41 LYS HN 4.5 (# 643:10 Unique)
&rst
ixpk= 643, nxpk= 10, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 595, 596,
&end
#
# 42 GLU HA 42 GLU HN 3.5 (# 644:10 Unique)
&rst
ixpk= 644, nxpk= 10, iat= 612, 610, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 LYS HE+ 42 GLU HN 5.5 (# 645:10 Unique)
&rst
ixpk= 645, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1622,1623,
&end
#
# 42 GLU HG+ 42 GLU HN 4.5 (# 646:10 Unique)
&rst
ixpk= 646, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 617, 618,
&end
#
# 41 LYS HG+ 42 GLU HN 4.5 (# 647:10 Unique)
&rst
ixpk= 647, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 595, 596,
&end
#
# 42 GLU HN 104 ILE QG2 5.5 (# 648:10 Single)
&rst
ixpk= 648, nxpk= 10, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1556,1557,1558,
&end
#
# 41 LYS HN 42 GLU HN 5.5 (# 649:10 Unique)
&rst
ixpk= 649, nxpk= 10, iat= 588, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ILE HN 42 GLU HN 5.5 (# 650:10 Unique)
&rst
ixpk= 650, nxpk= 10, iat= 625, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:652 7 ALA HN 5.5 (# 652:10 Single)
&rst
ixpk= 652, nxpk= 10, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 598, 599, 127, 128,
&end
#
# 0 AMB 10-2:653 7 ALA HN 4.5 (# 653:10 Single)
&rst
ixpk= 653, nxpk= 10, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 76, 102, 103,
&end
#
# 8 LEU MDX 7 ALA HN 5.5 (# 654:10 Unique)
&rst
ixpk= 654, nxpk= 10, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 10-2:655 7 ALA HN 5.5 (# 655:10 Single)
&rst
ixpk= 655, nxpk= 10, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 107, 108, 109, 111, 112, 113, 123, 124, 125,
&end
#
# 6 LEU MDY 7 ALA HN 5.5 (# 656:10 Unique)
&rst
ixpk= 656, nxpk= 10, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 43 ILE QD1 43 ILE HN 4.5 (# 657:10 Unique)
&rst
ixpk= 657, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 638, 639, 640,
&end
#
# 42 GLU HG+ 43 ILE HN 5.5 (# 658:10 Unique)
&rst
ixpk= 658, nxpk= 10, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 617, 618,
&end
#
# 26 ARG HA 43 ILE HN 3.5 (# 659:10 Unique)
&rst
ixpk= 659, nxpk= 10, iat= 386, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 LEU HA 43 ILE HN 5.5 (# 660:10 Unique)
&rst
ixpk= 660, nxpk= 10, iat= 348, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLU HN 43 ILE HN 5.5 (# 661:10 Unique)
&rst
ixpk= 661, nxpk= 10, iat= 610, 625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:662 44 VAL HN 4.5 (# 662:10 Single)
&rst
ixpk= 662, nxpk= 10, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 638, 639, 640,1641,1642,
&end
#
# 43 ILE HG1+ 44 VAL HN 5.5 (# 663:10 Unique)
&rst
ixpk= 663, nxpk= 10, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 635, 636,
&end
#
# 0 AMB 10-2:664 44 VAL HN 5.5 (# 664:10 Single)
&rst
ixpk= 664, nxpk= 10, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 635, 636, 353,
&end
#
# 0 AMB 10-2:665 44 VAL HN 5.5 (# 665:10 Single)
&rst
ixpk= 665, nxpk= 10, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1619,1620, 667, 668,1614,
&end
#
# 109 ILE HG1+ 44 VAL HN 7.0 (# 666:10 Unique)
&rst
ixpk= 666, nxpk= 10, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1641,1642,
&end
#
# 44 VAL HA 44 VAL HN 4.5 (# 667:10 Unique)
&rst
ixpk= 667, nxpk= 10, iat= 646, 644, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 ARG HE 44 VAL HN 4.5 (# 668:10 Unique)
&rst
ixpk= 668, nxpk= 10, iat= 673, 644, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ASP HN 44 VAL HN 5.5 (# 669:10 Unique)
&rst
ixpk= 669, nxpk= 10, iat= 178, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 ARG HG- 45 ARG HN 5.5 (# 670:10 Unique)
&rst
ixpk= 670, nxpk= 10, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 667, 668,
&end
#
# 0 AMB 10-2:671 45 ARG HN 4.5 (# 671:10 Single)
&rst
ixpk= 671, nxpk= 10, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 665, 350, 351,
&end
#
# 45 ARG HB2 45 ARG HN 3.5 (# 672:10 Unique)
&rst
ixpk= 672, nxpk= 10, iat= 664, 660, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 VAL HB 45 ARG HN 5.5 (# 673:10 Unique)
&rst
ixpk= 673, nxpk= 10, iat= 648, 660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LEU HA 45 ARG HN 5.5 (# 674:10 Unique)
&rst
ixpk= 674, nxpk= 10, iat= 348, 660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 ARG HA 45 ARG HN 4.5 (# 675:10 Unique)
&rst
ixpk= 675, nxpk= 10, iat= 662, 660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 TYR HN 45 ARG HN 7.0 (# 676:10 Unique)
&rst
ixpk= 676, nxpk= 10, iat= 691, 660, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 VAL HN 45 ARG HN 3.5 (# 677:10 Unique)
&rst
ixpk= 677, nxpk= 10, iat= 330, 660, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 GLN HB2 67 GLN HE2+ 5.5 (# 678:10 Unique)
&rst
ixpk= 678, nxpk= 10, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1031,1032,
&end
#
# 64 MET ME 67 GLN HE2+ 4.5 (# 679:10 Unique)
&rst
ixpk= 679, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 974, 975, 976,
igr2=1031,1032,
&end
#
# 0 AMB 10-2:680 0 AMB 10-1:680 4.5 (# 680:10 Double)
&rst
ixpk= 680, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 336, 337, 338, 340, 341, 342, 130, 131, 132,
igr2= 684,1031,1032,
&end
#
# 0 AMB 10-2:681 46 GLY HN 5.5 (# 681:10 Single)
&rst
ixpk= 681, nxpk= 10, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 849, 850, 851, 336, 337, 338, 340, 341, 342,
&end
#
# 0 AMB 10-2:682 0 AMB 10-1:682 5.5 (# 682:10 Double)
&rst
ixpk= 682, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 665, 127, 128,
igr2= 684,1031,1032,
&end
#
# 64 MET HA 67 GLN HE2+ 4.5 (# 683:10 Unique)
&rst
ixpk= 683, nxpk= 10, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1031,1032,
&end
#
# 0 AMB 10-2:684 0 AMB 10-1:684 7.0 (# 684:10 Double)
&rst
ixpk= 684, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.97, r4=12.47,
igr1= 664,1007,1008,1004,1005,
igr2= 684,1031,1032,1031,1032,
&end
#
# 49 TRP HZ2 47 TYR HN 5.5 (# 685:10 Unique)
&rst
ixpk= 685, nxpk= 10, iat= 747, 691, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:686 47 TYR HN 4.5 (# 686:10 Single)
&rst
ixpk= 686, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 693, 311,
&end
#
# 49 TRP HH2 47 TYR HN 5.5 (# 687:10 Unique)
&rst
ixpk= 687, nxpk= 10, iat= 749, 691, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:688 47 TYR HN 5.5 (# 688:10 Single)
&rst
ixpk= 688, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 271, 272, 313, 314,
&end
#
# 20 PHE HB- 47 TYR HN 7.0 (# 690:10 Unique)
&rst
ixpk= 690, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 271, 272,
&end
#
# 48 LYS HA 48 LYS HN 5.5 (# 692:10 Unique)
&rst
ixpk= 692, nxpk= 10, iat= 714, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 GLU HN 50 ALA HN 4.5 (# 694:10 Unique)
&rst
ixpk= 694, nxpk= 10, iat= 768, 758, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 TRP HD1 50 ALA HN 5.5 (# 695:10 Unique)
&rst
ixpk= 695, nxpk= 10, iat= 742, 758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 TRP HE3 50 ALA HN 4.5 (# 696:10 Unique)
&rst
ixpk= 696, nxpk= 10, iat= 753, 758, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 TYR HD 50 ALA HN 5.5 (# 698:10 Unique)
&rst
ixpk= 698, nxpk= 10, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 699, 708,
&end
#
# 49 TRP HB- 50 ALA HN 4.5 (# 700:10 Unique)
&rst
ixpk= 700, nxpk= 10, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 738, 739,
&end
#
# 49 TRP HB+ 50 ALA HN 7.0 (# 701:10 Unique)
&rst
ixpk= 701, nxpk= 10, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 738, 739,
&end
#
# 0 AMB 10-2:702 51 GLU HN 4.5 (# 702:10 Single)
&rst
ixpk= 702, nxpk= 10, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 753, 831,
&end
#
# 55 ASP HB2 51 GLU HN 5.5 (# 703:10 Unique)
&rst
ixpk= 703, nxpk= 10, iat= 835, 768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ASP HB3 51 GLU HN 5.5 (# 704:10 Unique)
&rst
ixpk= 704, nxpk= 10, iat= 836, 768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 GLU HB- 51 GLU HN 3.5 (# 705:10 Unique)
&rst
ixpk= 705, nxpk= 10, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 772, 773,
&end
#
# 52 TYR HA 52 TYR HN 3.5 (# 706:10 Unique)
&rst
ixpk= 706, nxpk= 10, iat= 785, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 ALA HA 52 TYR HN 4.5 (# 707:10 Unique)
&rst
ixpk= 707, nxpk= 10, iat= 760, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 GLU HA 52 TYR HN 3.5 (# 708:10 Unique)
&rst
ixpk= 708, nxpk= 10, iat= 770, 783, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 TYR HB+ 52 TYR HN 3.5 (# 709:10 Unique)
&rst
ixpk= 709, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 787, 788,
&end
#
# 55 ASP HB2 52 TYR HN 5.5 (# 710:10 Unique)
&rst
ixpk= 710, nxpk= 10, iat= 835, 783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ASP HB3 52 TYR HN 4.5 (# 711:10 Unique)
&rst
ixpk= 711, nxpk= 10, iat= 836, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 ALA MB 52 TYR HN 3.5 (# 712:10 Unique)
&rst
ixpk= 712, nxpk= 10, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 762, 763, 764,
&end
#
# 0 AMB 10-2:714 58 ASP HN 5.5 (# 714:10 Single)
&rst
ixpk= 714, nxpk= 10, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 899, 900, 899, 900,
&end
#
# 56 ILE HB 58 ASP HN 7.0 (# 715:10 Unique)
&rst
ixpk= 715, nxpk= 10, iat= 847, 883, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 55 ASP HA 58 ASP HN 4.5 (# 717:10 Unique)
&rst
ixpk= 717, nxpk= 10, iat= 833, 883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 ALA HA 58 ASP HN 4.5 (# 718:10 Unique)
&rst
ixpk= 718, nxpk= 10, iat= 823, 883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 ILE HN 58 ASP HN 5.5 (# 719:10 Unique)
&rst
ixpk= 719, nxpk= 10, iat= 843, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ASP HN 58 ASP HN 7.0 (# 720:10 Unique)
&rst
ixpk= 720, nxpk= 10, iat= 831, 883, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 60 VAL HN 58 ASP HN 5.5 (# 721:10 Unique)
&rst
ixpk= 721, nxpk= 10, iat= 917, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:722 58 ASP HN 4.5 (# 722:10 Single)
&rst
ixpk= 722, nxpk= 10, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
341, 342, 762, 763, 764,
&end
#
# 52 TYR HB- 54 ALA HN 5.5 (# 723:10 Unique)
&rst
ixpk= 723, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 787, 788,
&end
#
# 53 HIS HB- 54 ALA HN 5.5 (# 724:10 Unique)
&rst
ixpk= 724, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 808, 809,
&end
#
# 53 HIS HB+ 54 ALA HN 5.5 (# 725:10 Unique)
&rst
ixpk= 725, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 808, 809,
&end
#
# 52 TYR HB+ 54 ALA HN 4.5 (# 726:10 Unique)
&rst
ixpk= 726, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 787, 788,
&end
#
# 54 ALA HA 54 ALA HN 4.5 (# 727:10 Unique)
&rst
ixpk= 727, nxpk= 10, iat= 823, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 TYR HE 54 ALA HN 5.5 (# 729:10 Unique)
&rst
ixpk= 729, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1464,1469,
&end
#
# 55 ASP HN 54 ALA HN 4.5 (# 730:10 Unique)
&rst
ixpk= 730, nxpk= 10, iat= 831, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:731 54 ALA HN 5.5 (# 731:10 Single)
&rst
ixpk= 731, nxpk= 10, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 856, 857, 858, 336, 337, 338, 340, 341, 342, 336,
337, 338, 340, 341, 342, 762, 763, 764, 292,
&end
#
# 0 AMB 10-2:732 55 ASP HN 4.5 (# 732:10 Single)
&rst
ixpk= 732, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 823, 785,
&end
#
# 0 AMB 10-2:733 55 ASP HN 5.5 (# 733:10 Single)
&rst
ixpk= 733, nxpk= 10, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 775, 776, 847, 772, 773,
&end
#
# 0 AMB 10-2:734 0 AMB 10-1:734 3.5 (# 734:10 Double)
&rst
ixpk= 734, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 825, 826, 827, 127, 128,
igr2= 831, 98,
&end
#
# 57 TYR HN 55 ASP HN 5.5 (# 735:10 Unique)
&rst
ixpk= 735, nxpk= 10, iat= 862, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:736 0 AMB 10-1:736 5.5 (# 736:10 Double)
&rst
ixpk= 736, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 88, 783,
igr2= 98, 831,
&end
#
# 55 ASP HN 57 TYR HN 5.5 (# 737:10 Unique)
&rst
ixpk= 737, nxpk= 10, iat= 831, 862, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 TYR HE 57 TYR HN 5.5 (# 738:10 Unique)
&rst
ixpk= 738, nxpk= 10, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1464,1469,
&end
#
# 54 ALA HA 57 TYR HN 3.5 (# 739:10 Unique)
&rst
ixpk= 739, nxpk= 10, iat= 823, 862, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:740 113 TYR HN 5.5 (# 740:10 Single)
&rst
ixpk= 740, nxpk= 10, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1684,1674,
&end
#
# 0 AMB 10-2:741 56 ILE HN 5.5 (# 741:10 Single)
&rst
ixpk= 741, nxpk= 10, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 883, 821,
&end
#
# 55 ASP HA 56 ILE HN 4.5 (# 742:10 Unique)
&rst
ixpk= 742, nxpk= 10, iat= 833, 843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 TYR HB3 56 ILE HN 5.5 (# 743:10 Unique)
&rst
ixpk= 743, nxpk= 10, iat= 867, 843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ASP HB3 56 ILE HN 5.5 (# 744:10 Unique)
&rst
ixpk= 744, nxpk= 10, iat= 836, 843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:745 56 ILE HN 7.0 (# 745:10 Single)
&rst
ixpk= 745, nxpk= 10, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 866, 300, 301,
&end
#
# 52 TYR HB- 56 ILE HN 5.5 (# 746:10 Unique)
&rst
ixpk= 746, nxpk= 10, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 787, 788,
&end
#
# 59 LYS HB+ 56 ILE HN 7.0 (# 747:10 Unique)
&rst
ixpk= 747, nxpk= 10, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 899, 900,
&end
#
# 0 AMB 10-2:749 108 LYS HN 4.5 (# 749:10 Single)
&rst
ixpk= 749, nxpk= 10, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1619,1620,1676,1677,1678,
&end
#
# 0 AMB 10-2:750 108 LYS HN 4.5 (# 750:10 Single)
&rst
ixpk= 750, nxpk= 10, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 650, 651, 652, 654, 655, 656,1556,1557,1558, 168,
169, 170, 172, 173, 174,
&end
#
# 44 VAL MGY 108 LYS HN 5.5 (# 751:10 Unique)
&rst
ixpk= 751, nxpk= 10, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 650, 651, 652, 654, 655, 656,
&end
#
# 118 VAL HB 108 LYS HN 7.0 (# 752:10 Unique)
&rst
ixpk= 752, nxpk= 10, iat=1791,1609, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 105 SER HA 108 LYS HN 5.5 (# 753:10 Unique)
&rst
ixpk= 753, nxpk= 10, iat=1571,1609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 GLU HA 108 LYS HN 3.5 (# 754:10 Unique)
&rst
ixpk= 754, nxpk= 10, iat=1596,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 LYS HN 108 LYS HN 5.5 (# 755:10 Unique)
&rst
ixpk= 755, nxpk= 10, iat=1650,1609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:756 56 ILE HN 5.5 (# 756:10 Single)
&rst
ixpk= 756, nxpk= 10, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 749, 895,
&end
#
# 0 AMB 10-2:757 56 ILE HN 5.5 (# 757:10 Single)
&rst
ixpk= 757, nxpk= 10, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 823, 785,
&end
#
# 61 SER HN 59 LYS HN 5.5 (# 758:10 Unique)
&rst
ixpk= 758, nxpk= 10, iat= 933, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:759 59 LYS HN 3.5 (# 759:10 Single)
&rst
ixpk= 759, nxpk= 10, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 845, 864,
&end
#
# 0 AMB 10-2:760 59 LYS HN 5.5 (# 760:10 Single)
&rst
ixpk= 760, nxpk= 10, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 905, 906, 905, 906,
&end
#
# 0 AMB 10-2:761 59 LYS HN 5.5 (# 761:10 Single)
&rst
ixpk= 761, nxpk= 10, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 923, 924, 925, 927, 928, 929, 849, 850, 851,
&end
#
# 60 VAL MGY 59 LYS HN 5.5 (# 762:10 Unique)
&rst
ixpk= 762, nxpk= 10, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 923, 924, 925, 927, 928, 929,
&end
#
# 60 VAL HB 59 LYS HN 5.5 (# 763:10 Unique)
&rst
ixpk= 763, nxpk= 10, iat= 921, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ASP HN 60 VAL HN 7.0 (# 764:10 Unique)
&rst
ixpk= 764, nxpk= 10, iat= 883, 917, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 62 GLY HN 60 VAL HN 5.5 (# 765:10 Unique)
&rst
ixpk= 765, nxpk= 10, iat= 944, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LYS HG+ 60 VAL HN 4.5 (# 766:10 Unique)
&rst
ixpk= 766, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 902, 903,
&end
#
# 0 AMB 10-2:767 60 VAL HN 5.5 (# 767:10 Single)
&rst
ixpk= 767, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 905, 906, 905, 906, 667, 668, 853, 854,
&end
#
# 0 AMB 10-2:768 61 SER HN 5.5 (# 768:10 Single)
&rst
ixpk= 768, nxpk= 10, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 951, 862,
&end
#
# 0 AMB 10-2:769 61 SER HN 4.5 (# 769:10 Single)
&rst
ixpk= 769, nxpk= 10, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 895, 870, 879,
&end
#
# 62 GLY HA+ 61 SER HN 5.5 (# 770:10 Unique)
&rst
ixpk= 770, nxpk= 10, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 946, 947,
&end
#
# 64 MET HB2 61 SER HN 5.5 (# 771:10 Unique)
&rst
ixpk= 771, nxpk= 10, iat= 967, 933, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:772 61 SER HN 7.0 (# 772:10 Single)
&rst
ixpk= 772, nxpk= 10, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1071, 970, 971, 887, 888,
&end
#
# 63 ASP HB3 61 SER HN 7.0 (# 773:10 Unique)
&rst
ixpk= 773, nxpk= 10, iat= 956, 933, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 64 MET HN 62 GLY HN 5.5 (# 774:10 Unique)
&rst
ixpk= 774, nxpk= 10, iat= 963, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 GLN HN 62 GLY HN 5.5 (# 775:10 Unique)
&rst
ixpk= 775, nxpk= 10, iat= 980, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 SER HB+ 62 GLY HN 4.5 (# 776:10 Unique)
&rst
ixpk= 776, nxpk= 10, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 937, 938,
&end
#
# 61 SER HB- 62 GLY HN 4.5 (# 777:10 Unique)
&rst
ixpk= 777, nxpk= 10, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 937, 938,
&end
#
# 0 AMB 10-2:778 62 GLY HN 5.5 (# 778:10 Single)
&rst
ixpk= 778, nxpk= 10, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 956, 887, 888,1070,
&end
#
# 0 AMB 10-2:779 62 GLY HN 5.5 (# 779:10 Single)
&rst
ixpk= 779, nxpk= 10, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 955, 987, 988, 887, 888, 970, 971,
&end
#
# 0 AMB 10-2:780 62 GLY HN 5.5 (# 780:10 Single)
&rst
ixpk= 780, nxpk= 10, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 984, 899, 900, 899, 900,
&end
#
# 64 MET HB2 63 ASP HN 5.5 (# 781:10 Unique)
&rst
ixpk= 781, nxpk= 10, iat= 967, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LYS HN 63 ASP HN 5.5 (# 783:10 Unique)
&rst
ixpk= 783, nxpk= 10, iat= 997, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 GLN HN 63 ASP HN 4.5 (# 784:10 Unique)
&rst
ixpk= 784, nxpk= 10, iat= 980, 951, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 SER HN 63 ASP HN 4.5 (# 785:10 Unique)
&rst
ixpk= 785, nxpk= 10, iat= 933, 951, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 ASP HN 65 GLN HN 5.5 (# 786:10 Unique)
&rst
ixpk= 786, nxpk= 10, iat= 951, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:787 65 GLN HN 5.5 (# 787:10 Single)
&rst
ixpk= 787, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1043,1036,
&end
#
# 62 GLY HN 65 GLN HN 5.5 (# 788:10 Unique)
&rst
ixpk= 788, nxpk= 10, iat= 944, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 GLN HN 65 GLN HN 5.5 (# 789:10 Unique)
&rst
ixpk= 789, nxpk= 10, iat=1019, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLY HA+ 65 GLN HN 5.5 (# 790:10 Unique)
&rst
ixpk= 790, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 946, 947,
&end
#
# 62 GLY HA- 65 GLN HN 4.5 (# 791:10 Unique)
&rst
ixpk= 791, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 946, 947,
&end
#
# 0 AMB 10-2:792 65 GLN HN 3.5 (# 792:10 Single)
&rst
ixpk= 792, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 968,1004,1005,
&end
#
# 0 AMB 10-2:793 65 GLN HN 5.5 (# 793:10 Single)
&rst
ixpk= 793, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 956,1070,
&end
#
# 65 GLN HG+ 66 LYS HN 5.5 (# 794:10 Unique)
&rst
ixpk= 794, nxpk= 10, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 987, 988,
&end
#
# 63 ASP HA 66 LYS HN 5.5 (# 795:10 Unique)
&rst
ixpk= 795, nxpk= 10, iat= 953, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 GLN HA 66 LYS HN 7.0 (# 796:10 Unique)
&rst
ixpk= 796, nxpk= 10, iat=1021, 997, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 68 GLY HN 66 LYS HN 5.5 (# 798:10 Unique)
&rst
ixpk= 798, nxpk= 10, iat=1036, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 MET HN 66 LYS HN 5.5 (# 799:10 Unique)
&rst
ixpk= 799, nxpk= 10, iat= 963, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 GLY HA- 67 GLN HN 4.5 (# 801:10 Unique)
&rst
ixpk= 801, nxpk= 10, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1038,1039,
&end
#
# 0 AMB 10-2:802 67 GLN HN 4.5 (# 802:10 Single)
&rst
ixpk= 802, nxpk= 10, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1004,1005, 968,
&end
#
# 67 GLN HN 65 GLN HB2 5.5 (# 803:10 Unique)
&rst
ixpk= 803, nxpk= 10, iat=1019, 984, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 GLN HG- 67 GLN HN 5.5 (# 804:10 Unique)
&rst
ixpk= 804, nxpk= 10, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 987, 988,
&end
#
# 9 ILE QD1 67 GLN HN 5.5 (# 807:10 Unique)
&rst
ixpk= 807, nxpk= 10, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 130, 131, 132,
&end
#
# 65 GLN HN 67 GLN HN 5.5 (# 809:10 Unique)
&rst
ixpk= 809, nxpk= 10, iat= 980,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 MET HN 67 GLN HN 7.0 (# 810:10 Unique)
&rst
ixpk= 810, nxpk= 10, iat= 963,1019, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 66 LYS HN 68 GLY HN 4.5 (# 811:10 Unique)
&rst
ixpk= 811, nxpk= 10, iat= 997,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 GLN HB2 68 GLY HN 3.5 (# 813:10 Unique)
&rst
ixpk= 813, nxpk= 10, iat=1023,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:814 69 CYS HN 4.5 (# 814:10 Single)
&rst
ixpk= 814, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1054, 452,
&end
#
# 65 GLN HN 69 CYS HN 5.5 (# 815:10 Unique)
&rst
ixpk= 815, nxpk= 10, iat= 980,1043, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LYS HN 69 CYS HN 5.5 (# 816:10 Unique)
&rst
ixpk= 816, nxpk= 10, iat= 997,1043, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 SER HA 69 CYS HN 5.5 (# 817:10 Unique)
&rst
ixpk= 817, nxpk= 10, iat= 443,1043, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 GLN HA 69 CYS HN 5.5 (# 818:10 Unique)
&rst
ixpk= 818, nxpk= 10, iat=1021,1043, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 GLN HB2 69 CYS HN 4.5 (# 820:10 Unique)
&rst
ixpk= 820, nxpk= 10, iat=1023,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:821 69 CYS HN 5.5 (# 821:10 Single)
&rst
ixpk= 821, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 984, 469, 470,
&end
#
# 65 GLN HG+ 69 CYS HN 5.5 (# 822:10 Unique)
&rst
ixpk= 822, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 987, 988,
&end
#
# 27 VAL MGY 69 CYS HN 5.5 (# 823:10 Unique)
&rst
ixpk= 823, nxpk= 10, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 414, 415, 416, 418, 419, 420,
&end
#
# 28 HIS HB2 70 ASP HN 4.5 (# 824:10 Unique)
&rst
ixpk= 824, nxpk= 10, iat= 428,1054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 HIS HB3 70 ASP HN 5.5 (# 825:10 Unique)
&rst
ixpk= 825, nxpk= 10, iat= 429,1054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ASP HN 64 MET HB3 5.5 (# 826:10 Unique)
&rst
ixpk= 826, nxpk= 10, iat=1054, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 VAL MGY 70 ASP HN 4.5 (# 827:10 Unique)
&rst
ixpk= 827, nxpk= 10, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 414, 415, 416, 418, 419, 420,
&end
#
# 70 ASP HA 70 ASP HN 3.5 (# 828:10 Unique)
&rst
ixpk= 828, nxpk= 10, iat=1056,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 SER HA 70 ASP HN 5.5 (# 829:10 Unique)
&rst
ixpk= 829, nxpk= 10, iat= 443,1054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 CYS HN 70 ASP HN 5.5 (# 830:10 Unique)
&rst
ixpk= 830, nxpk= 10, iat=1043,1054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 HIS HN 70 ASP HN 3.5 (# 831:10 Unique)
&rst
ixpk= 831, nxpk= 10, iat= 424,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 ASP HN 71 CYS HN 5.5 (# 833:10 Unique)
&rst
ixpk= 833, nxpk= 10, iat=1054,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 MET HB2 71 CYS HN 5.5 (# 834:10 Unique)
&rst
ixpk= 834, nxpk= 10, iat= 967,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:835 71 CYS HN 5.5 (# 835:10 Single)
&rst
ixpk= 835, nxpk= 10, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 414, 415, 416, 418, 419, 420, 371, 372, 373,
&end
#
# 0 AMB 10-2:837 71 CYS HN 4.5 (# 837:10 Single)
&rst
ixpk= 837, nxpk= 10, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1077, 424,
&end
#
# 70 ASP HN 71 CYS HN 4.5 (# 838:10 Unique)
&rst
ixpk= 838, nxpk= 10, iat=1054,1066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 CYS HN 72 GLU HN 4.5 (# 839:10 Unique)
&rst
ixpk= 839, nxpk= 10, iat=1066,1077, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 GLU HN 28 HIS HD2 5.5 (# 840:10 Unique)
&rst
ixpk= 840, nxpk= 10, iat=1077, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:841 72 GLU HN 3.5 (# 841:10 Single)
&rst
ixpk= 841, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1079, 367,
&end
#
# 0 AMB 10-2:842 73 CYS HN 4.5 (# 842:10 Single)
&rst
ixpk= 842, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1084,1085,1084,1085,
&end
#
# 73 CYS HB- 73 CYS HN 3.5 (# 843:10 Unique)
&rst
ixpk= 843, nxpk= 10, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1096,1097,
&end
#
# 73 CYS HA 73 CYS HN 5.5 (# 844:10 Unique)
&rst
ixpk= 844, nxpk= 10, iat=1094,1092, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:845 74 LEU HN 4.5 (# 845:10 Single)
&rst
ixpk= 845, nxpk= 10, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 384,1092,
&end
#
# 73 CYS HB+ 74 LEU HN 5.5 (# 846:10 Unique)
&rst
ixpk= 846, nxpk= 10, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1096,1097,
&end
#
# 73 CYS HB- 74 LEU HN 4.5 (# 847:10 Unique)
&rst
ixpk= 847, nxpk= 10, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1096,1097,
&end
#
# 0 AMB 10-2:848 74 LEU HN 4.5 (# 848:10 Single)
&rst
ixpk= 848, nxpk= 10, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 336, 337, 338, 340, 341, 342, 375, 376, 371, 372,
373,
&end
#
# 0 AMB 10-2:849 75 GLY HN 5.5 (# 849:10 Single)
&rst
ixpk= 849, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1092, 384,
&end
#
# 76 GLY HN 75 GLY HN 4.5 (# 850:10 Unique)
&rst
ixpk= 850, nxpk= 10, iat=1129,1122, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LEU HN 75 GLY HN 5.5 (# 851:10 Unique)
&rst
ixpk= 851, nxpk= 10, iat= 346,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 TYR HD 75 GLY HN 5.5 (# 852:10 Unique)
&rst
ixpk= 852, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1462,1471,
&end
#
# 101 GLN HN 75 GLY HN 7.0 (# 853:10 Unique)
&rst
ixpk= 853, nxpk= 10, iat=1506,1122, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 97 TYR HN 75 GLY HN 7.0 (# 854:10 Unique)
&rst
ixpk= 854, nxpk= 10, iat=1454,1122, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:855 75 GLY HN 4.5 (# 855:10 Single)
&rst
ixpk= 855, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 367,1456,
&end
#
# 97 TYR HB+ 75 GLY HN 4.5 (# 856:10 Unique)
&rst
ixpk= 856, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1458,1459,
&end
#
# 97 TYR HB- 75 GLY HN 4.5 (# 857:10 Unique)
&rst
ixpk= 857, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1458,1459,
&end
#
# 73 CYS HB+ 75 GLY HN 5.5 (# 858:10 Unique)
&rst
ixpk= 858, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1096,1097,
&end
#
# 74 LEU HB3 75 GLY HN 4.5 (# 859:10 Unique)
&rst
ixpk= 859, nxpk= 10, iat=1108,1122, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 LEU HG 75 GLY HN 4.5 (# 860:10 Unique)
&rst
ixpk= 860, nxpk= 10, iat=1110,1122, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 LEU HB2 75 GLY HN 4.5 (# 861:10 Unique)
&rst
ixpk= 861, nxpk= 10, iat=1107,1122, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 CYS HB- 75 GLY HN 5.5 (# 862:10 Unique)
&rst
ixpk= 862, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1096,1097,
&end
#
# 0 AMB 10-2:863 75 GLY HN 5.5 (# 863:10 Single)
&rst
ixpk= 863, nxpk= 10, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
341, 342, 355, 356, 357, 359, 360, 361,
&end
#
# 94 SER HB+ 76 GLY HN 3.5 (# 864:10 Unique)
&rst
ixpk= 864, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1420,1421,
&end
#
# 23 VAL HA 76 GLY HN 5.5 (# 865:10 Unique)
&rst
ixpk= 865, nxpk= 10, iat= 332,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 PRO HA 76 GLY HN 4.5 (# 866:10 Unique)
&rst
ixpk= 866, nxpk= 10, iat=1492,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 SER HN 76 GLY HN 5.5 (# 868:10 Unique)
&rst
ixpk= 868, nxpk= 10, iat=1416,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:869 76 GLY HN 7.0 (# 869:10 Single)
&rst
ixpk= 869, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1399,1400,1489,1490,
&end
#
# 97 TYR HB- 76 GLY HN 5.5 (# 870:10 Unique)
&rst
ixpk= 870, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1458,1459,
&end
#
# 94 SER HB- 76 GLY HN 4.5 (# 871:10 Unique)
&rst
ixpk= 871, nxpk= 10, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1420,1421,
&end
#
# 77 GLY HA- 77 GLY HN 3.5 (# 872:10 Unique)
&rst
ixpk= 872, nxpk= 10, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1138,1139,
&end
#
# 0 AMB 10-2:873 77 GLY HN 3.5 (# 873:10 Single)
&rst
ixpk= 873, nxpk= 10, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 332, 289,
&end
#
# 0 AMB 10-2:875 77 GLY HN 5.5 (# 875:10 Single)
&rst
ixpk= 875, nxpk= 10, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1500,1501,1502,1147,1148,
&end
#
# 102 HIS HD2 77 GLY HN 5.5 (# 876:10 Unique)
&rst
ixpk= 876, nxpk= 10, iat=1536,1136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 TYR HN 77 GLY HN 4.5 (# 877:10 Unique)
&rst
ixpk= 877, nxpk= 10, iat= 309,1136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 GLY HN 77 GLY HN 5.5 (# 878:10 Unique)
&rst
ixpk= 878, nxpk= 10, iat=1129,1136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LEU HN 77 GLY HN 5.5 (# 879:10 Unique)
&rst
ixpk= 879, nxpk= 10, iat= 346,1136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ARG HN 77 GLY HN 5.5 (# 880:10 Unique)
&rst
ixpk= 880, nxpk= 10, iat=1143,1136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 SER HB+ 77 GLY HN 7.0 (# 881:10 Unique)
&rst
ixpk= 881, nxpk= 10, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1420,1421,
&end
#
# 78 ARG HA 78 ARG HN 5.5 (# 883:10 Unique)
&rst
ixpk= 883, nxpk= 10, iat=1145,1143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 VAL HA 78 ARG HN 5.5 (# 884:10 Unique)
&rst
ixpk= 884, nxpk= 10, iat=1353,1143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 HIS HD2 78 ARG HN 4.5 (# 885:10 Unique)
&rst
ixpk= 885, nxpk= 10, iat=1536,1143, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:886 78 ARG HN 5.5 (# 886:10 Single)
&rst
ixpk= 886, nxpk= 10, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 317, 326,1375,1384,
&end
#
# 0 AMB 10-2:887 78 ARG HN 4.5 (# 887:10 Single)
&rst
ixpk= 887, nxpk= 10, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 319, 324,1136,
&end
#
# 0 AMB 10-2:888 78 ARG HN 5.5 (# 888:10 Single)
&rst
ixpk= 888, nxpk= 10, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1395,1388,
&end
#
# 91 TYR HN 78 ARG HN 3.5 (# 889:10 Unique)
&rst
ixpk= 889, nxpk= 10, iat=1367,1143, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:890 78 ARG HN 3.5 (# 890:10 Single)
&rst
ixpk= 890, nxpk= 10, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1147,1148,1357,1358,1359,1361,1362,1363,
&end
#
# 78 ARG HB+ 78 ARG HN 4.5 (# 891:10 Unique)
&rst
ixpk= 891, nxpk= 10, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1147,1148,
&end
#
# 0 AMB 10-2:892 0 AMB 10-1:892 5.5 (# 892:10 Double)
&rst
ixpk= 892, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 289,1169, 714,
igr2= 287,1167,
&end
#
# 79 ILE HG1+ 79 ILE HN 5.5 (# 893:10 Unique)
&rst
ixpk= 893, nxpk= 10, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1177,1178,
&end
#
# 80 SER HB+ 80 SER HN 3.5 (# 894:10 Unique)
&rst
ixpk= 894, nxpk= 10, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1190,1191,
&end
#
# 91 TYR HE 80 SER HN 5.5 (# 895:10 Unique)
&rst
ixpk= 895, nxpk= 10, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1377,1382,
&end
#
# 0 AMB 10-2:896 80 SER HN 5.5 (# 896:10 Single)
&rst
ixpk= 896, nxpk= 10, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1167,1367,
&end
#
# 88 ILE HA 80 SER HN 7.0 (# 897:10 Unique)
&rst
ixpk= 897, nxpk= 10, iat=1317,1186, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:898 80 SER HN 5.5 (# 898:10 Single)
&rst
ixpk= 898, nxpk= 10, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1321,1322,1323,1171,
&end
#
# 79 ILE QG2 80 SER HN 3.5 (# 899:10 Unique)
&rst
ixpk= 899, nxpk= 10, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1173,1174,1175,
&end
#
# 29 SER HB+ 6 LEU HN 5.5 (# 900:10 Unique)
&rst
ixpk= 900, nxpk= 10, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 445, 446,
&end
#
# 0 AMB 10-2:901 6 LEU HN 5.5 (# 901:10 Single)
&rst
ixpk= 901, nxpk= 10, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 61, 62, 601, 602,
&end
#
# 5 ASP HB- 6 LEU HN 4.5 (# 902:10 Unique)
&rst
ixpk= 902, nxpk= 10, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 61, 62,
&end
#
# 6 LEU MDY 6 LEU HN 3.5 (# 903:10 Unique)
&rst
ixpk= 903, nxpk= 10, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 119 THR HN 90 VAL HN 5.5 (# 904:10 Unique)
&rst
ixpk= 904, nxpk= 10, iat=1803,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:905 90 VAL HN 4.5 (# 905:10 Single)
&rst
ixpk= 905, nxpk= 10, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1841,1367,
&end
#
# 120 TRP HB+ 90 VAL HN 3.5 (# 906:10 Unique)
&rst
ixpk= 906, nxpk= 10, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1821,1822,
&end
#
# 89 HIS HB- 90 VAL HN 5.5 (# 907:10 Unique)
&rst
ixpk= 907, nxpk= 10, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1338,1339,
&end
#
# 89 HIS HB+ 90 VAL HN 4.5 (# 908:10 Unique)
&rst
ixpk= 908, nxpk= 10, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1338,1339,
&end
#
# 106 THR MG2 90 VAL HN 5.5 (# 909:10 Unique)
&rst
ixpk= 909, nxpk= 10, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1586,1587,1588,
&end
#
# 90 VAL MGX 90 VAL HN 3.5 (# 910:10 Unique)
&rst
ixpk= 910, nxpk= 10, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 10-2:911 90 VAL HN 5.5 (# 911:10 Single)
&rst
ixpk= 911, nxpk= 10, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1173,1174,1175,1177,1178,
&end
#
# 118 VAL MGY 90 VAL HN 7.0 (# 912:10 Unique)
&rst
ixpk= 912, nxpk= 10, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1793,1794,1795,1797,1798,1799,
&end
#
# 91 TYR HA 91 TYR HN 3.5 (# 913:10 Unique)
&rst
ixpk= 913, nxpk= 10, iat=1369,1367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 ILE HA 91 TYR HN 4.5 (# 914:10 Unique)
&rst
ixpk= 914, nxpk= 10, iat=1169,1367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 TYR HB+ 91 TYR HN 5.5 (# 915:10 Unique)
&rst
ixpk= 915, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1371,1372,
&end
#
# 91 TYR HB- 91 TYR HN 4.5 (# 916:10 Unique)
&rst
ixpk= 916, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1371,1372,
&end
#
# 0 AMB 10-2:917 91 TYR HN 5.5 (# 917:10 Single)
&rst
ixpk= 917, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1177,1178,1173,1174,1175,
&end
#
# 79 ILE QD1 91 TYR HN 7.0 (# 918:10 Unique)
&rst
ixpk= 918, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1180,1181,1182,
&end
#
# 79 ILE HG1- 91 TYR HN 7.0 (# 919:10 Unique)
&rst
ixpk= 919, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1177,1178,
&end
#
# 0 AMB 10-2:920 91 TYR HN 5.5 (# 920:10 Single)
&rst
ixpk= 920, nxpk= 10, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1138,1139,1390,1391,
&end
#
# 91 TYR HD 92 GLY HN 3.5 (# 921:10 Unique)
&rst
ixpk= 921, nxpk= 10, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1375,1384,
&end
#
# 91 TYR HN 92 GLY HN 5.5 (# 922:10 Unique)
&rst
ixpk= 922, nxpk= 10, iat=1367,1388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 TYR HA 92 GLY HN 3.5 (# 923:10 Unique)
&rst
ixpk= 923, nxpk= 10, iat=1369,1388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 GLY HA+ 92 GLY HN 3.5 (# 924:10 Unique)
&rst
ixpk= 924, nxpk= 10, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1390,1391,
&end
#
# 92 GLY HA- 92 GLY HN 3.5 (# 925:10 Unique)
&rst
ixpk= 925, nxpk= 10, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1390,1391,
&end
#
# 91 TYR HB+ 92 GLY HN 3.5 (# 926:10 Unique)
&rst
ixpk= 926, nxpk= 10, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1371,1372,
&end
#
# 91 TYR HB- 92 GLY HN 3.5 (# 927:10 Unique)
&rst
ixpk= 927, nxpk= 10, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1371,1372,
&end
#
# 92 GLY HA+ 93 TYR HN 3.5 (# 928:10 Unique)
&rst
ixpk= 928, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1390,1391,
&end
#
# 77 GLY HA- 93 TYR HN 3.5 (# 929:10 Unique)
&rst
ixpk= 929, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1138,1139,
&end
#
# 125 TYR HA 93 TYR HN 5.5 (# 930:10 Unique)
&rst
ixpk= 930, nxpk= 10, iat=1886,1395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 TYR HA 93 TYR HN 4.5 (# 932:10 Unique)
&rst
ixpk= 932, nxpk= 10, iat=1397,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:933 93 TYR HN 4.5 (# 933:10 Single)
&rst
ixpk= 933, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1892,1901,1894,1899,
&end
#
# 93 TYR HD 93 TYR HN 3.5 (# 934:10 Unique)
&rst
ixpk= 934, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1403,1412,
&end
#
# 78 ARG HN 93 TYR HN 7.0 (# 935:10 Unique)
&rst
ixpk= 935, nxpk= 10, iat=1143,1395, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 93 TYR HB+ 93 TYR HN 5.5 (# 936:10 Unique)
&rst
ixpk= 936, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1399,1400,
&end
#
# 93 TYR HB- 93 TYR HN 5.5 (# 937:10 Unique)
&rst
ixpk= 937, nxpk= 10, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1399,1400,
&end
#
# 93 TYR HD 94 SER HN 5.5 (# 938:10 Unique)
&rst
ixpk= 938, nxpk= 10, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1403,1412,
&end
#
# 93 TYR HA 94 SER HN 3.5 (# 939:10 Unique)
&rst
ixpk= 939, nxpk= 10, iat=1397,1416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 PRO HA 94 SER HN 5.5 (# 940:10 Unique)
&rst
ixpk= 940, nxpk= 10, iat=1492,1416, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:941 94 SER HN 3.5 (# 941:10 Single)
&rst
ixpk= 941, nxpk= 10, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1399,1400,1420,1421,
&end
#
# 94 SER HB- 94 SER HN 5.5 (# 942:10 Unique)
&rst
ixpk= 942, nxpk= 10, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1420,1421,
&end
#
# 93 TYR HB- 94 SER HN 4.5 (# 943:10 Unique)
&rst
ixpk= 943, nxpk= 10, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1399,1400,
&end
#
# 64 MET ME 67 GLN HE2- 4.5 (# 944:10 Unique)
&rst
ixpk= 944, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 974, 975, 976,
igr2=1031,1032,
&end
#
# 0 AMB 10-2:945 67 GLN HE2- 5.5 (# 945:10 Single)
&rst
ixpk= 945, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 123, 124, 125, 130, 131, 132,
igr2=1031,1032,
&end
#
# 9 ILE HG1+ 67 GLN HE2- 5.5 (# 946:10 Unique)
&rst
ixpk= 946, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 127, 128,
igr2=1031,1032,
&end
#
# 67 GLN HB2 67 GLN HE2- 7.0 (# 947:10 Unique)
&rst
ixpk= 947, nxpk= 10, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1031,1032,
&end
#
# 64 MET HA 67 GLN HE2- 5.5 (# 948:10 Unique)
&rst
ixpk= 948, nxpk= 10, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1031,1032,
&end
#
# 97 TYR HN 98 GLY HN 3.5 (# 950:10 Unique)
&rst
ixpk= 950, nxpk= 10, iat=1454,1475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 TYR HA 98 GLY HN 4.5 (# 951:10 Unique)
&rst
ixpk= 951, nxpk= 10, iat=1456,1475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 GLY HA+ 98 GLY HN 2.8 (# 952:10 Unique)
&rst
ixpk= 952, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1477,1478,
&end
#
# 98 GLY HA- 98 GLY HN 3.5 (# 953:10 Unique)
&rst
ixpk= 953, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1477,1478,
&end
#
# 99 PRO HD+ 98 GLY HN 5.5 (# 954:10 Unique)
&rst
ixpk= 954, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1483,1484,
&end
#
# 94 SER HB+ 98 GLY HN 4.5 (# 955:10 Unique)
&rst
ixpk= 955, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1420,1421,
&end
#
# 94 SER HB- 98 GLY HN 5.5 (# 956:10 Unique)
&rst
ixpk= 956, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1420,1421,
&end
#
# 97 TYR HB- 98 GLY HN 4.5 (# 957:10 Unique)
&rst
ixpk= 957, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1458,1459,
&end
#
# 101 GLN HN 100 ALA HN 5.5 (# 958:10 Unique)
&rst
ixpk= 958, nxpk= 10, iat=1506,1496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 TYR HA 100 ALA HN 4.5 (# 959:10 Unique)
&rst
ixpk= 959, nxpk= 10, iat=1397,1496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:961 100 ALA HN 4.5 (# 961:10 Single)
&rst
ixpk= 961, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1124,1125,1508,1525,
&end
#
# 0 AMB 10-2:962 100 ALA HN 5.5 (# 962:10 Single)
&rst
ixpk= 962, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1124,1125,1131,1132,
&end
#
# 93 TYR HB+ 100 ALA HN 5.5 (# 963:10 Unique)
&rst
ixpk= 963, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1399,1400,
&end
#
# 99 PRO HB+ 100 ALA HN 4.5 (# 964:10 Unique)
&rst
ixpk= 964, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1489,1490,
&end
#
# 99 PRO HB- 100 ALA HN 4.5 (# 965:10 Unique)
&rst
ixpk= 965, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1489,1490,
&end
#
# 24 LEU MDY 100 ALA HN 5.5 (# 966:10 Unique)
&rst
ixpk= 966, nxpk= 10, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 355, 356, 357, 359, 360, 361,
&end
#
# 100 ALA HN 101 GLN HN 5.5 (# 967:10 Unique)
&rst
ixpk= 967, nxpk= 10, iat=1496,1506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 HIS HN 101 GLN HN 4.5 (# 968:10 Unique)
&rst
ixpk= 968, nxpk= 10, iat=1523,1506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 GLN HN 102 HIS HN 4.5 (# 969:10 Unique)
&rst
ixpk= 969, nxpk= 10, iat=1506,1523, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:970 102 HIS HN 4.5 (# 970:10 Single)
&rst
ixpk= 970, nxpk= 10, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1533,1836, 319, 324,
&end
#
# 0 AMB 10-2:971 102 HIS HN 5.5 (# 971:10 Single)
&rst
ixpk= 971, nxpk= 10, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1496,1550,
&end
#
# 0 AMB 10-2:973 102 HIS HN 5.5 (# 973:10 Single)
&rst
ixpk= 973, nxpk= 10, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1542,1855,1856,
&end
#
# 101 GLN HG- 102 HIS HN 4.5 (# 974:10 Unique)
&rst
ixpk= 974, nxpk= 10, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1513,1514,
&end
#
# 101 GLN HB- 102 HIS HN 4.5 (# 975:10 Unique)
&rst
ixpk= 975, nxpk= 10, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1510,1511,
&end
#
# 100 ALA MB 102 HIS HN 4.5 (# 976:10 Unique)
&rst
ixpk= 976, nxpk= 10, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1500,1501,1502,
&end
#
# 0 AMB 10-2:977 102 HIS HN 5.5 (# 977:10 Single)
&rst
ixpk= 977, nxpk= 10, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 355, 356, 357, 359, 360, 361,1544,1545,1546,
&end
#
# 0 AMB 10-2:979 103 ALA HN 7.0 (# 979:10 Single)
&rst
ixpk= 979, nxpk= 10, iat= -1,1540, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1832,1594,
&end
#
# 0 AMB 10-2:980 0 AMB 10-1:980 5.5 (# 980:10 Double)
&rst
ixpk= 980, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1510,1511, 255,1554,
igr2=1540, 267,
&end
#
# 0 AMB 10-2:981 0 AMB 10-1:981 7.0 (# 981:10 Double)
&rst
ixpk= 981, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1528,1153,1154,
igr2=1540, 267,
&end
#
# 78 ARG HB+ 20 PHE HN 4.5 (# 982:10 Unique)
&rst
ixpk= 982, nxpk= 10, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1147,1148,
&end
#
# 106 THR HN 104 ILE HN 5.5 (# 985:10 Unique)
&rst
ixpk= 985, nxpk= 10, iat=1580,1550, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:986 104 ILE HN 4.5 (# 986:10 Single)
&rst
ixpk= 986, nxpk= 10, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1525,1508,1573,
&end
#
# 103 ALA HA 104 ILE HN 5.5 (# 987:10 Unique)
&rst
ixpk= 987, nxpk= 10, iat=1542,1550, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 GLN HG- 104 ILE HN 5.5 (# 988:10 Unique)
&rst
ixpk= 988, nxpk= 10, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1513,1514,
&end
#
# 101 GLN HB- 104 ILE HN 4.5 (# 989:10 Unique)
&rst
ixpk= 989, nxpk= 10, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1510,1511,
&end
#
# 0 AMB 10-2:990 105 SER HN 4.5 (# 990:10 Single)
&rst
ixpk= 990, nxpk= 10, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1560,1561,1619,1620,
&end
#
# 0 AMB 10-2:991 105 SER HN 4.5 (# 991:10 Single)
&rst
ixpk= 991, nxpk= 10, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 650, 651, 652, 654, 655, 656, 350, 351,
&end
#
# 103 ALA HN 105 SER HN 5.5 (# 994:10 Unique)
&rst
ixpk= 994, nxpk= 10, iat=1540,1569, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:995 106 THR HN 4.5 (# 995:10 Single)
&rst
ixpk= 995, nxpk= 10, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
1798,1799,1544,1545,1546,
&end
#
# 90 VAL MGX 106 THR HN 5.5 (# 996:10 Unique)
&rst
ixpk= 996, nxpk= 10, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 10-2:997 106 THR HN 5.5 (# 997:10 Single)
&rst
ixpk= 997, nxpk= 10, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 650, 651, 652, 654, 655, 656,1556,1557,1558,1500,
1501,1502,
&end
#
# 103 ALA HA 106 THR HN 3.5 (# 998:10 Unique)
&rst
ixpk= 998, nxpk= 10, iat=1542,1580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 SER HA 106 THR HN 4.5 (# 999:10 Unique)
&rst
ixpk= 999, nxpk= 10, iat=1571,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 THR HA 107 GLU HN 4.5 (# 1001:10 Unique)
&rst
ixpk= 1001, nxpk= 10, iat=1582,1594, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 GLU HG- 107 GLU HN 3.5 (# 1002:10 Unique)
&rst
ixpk= 1002, nxpk= 10, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1601,1602,
&end
#
# 118 VAL HB 107 GLU HN 7.0 (# 1003:10 Unique)
&rst
ixpk= 1003, nxpk= 10, iat=1791,1594, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1004 107 GLU HN 4.5 (# 1004:10 Single)
&rst
ixpk= 1004, nxpk= 10, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1613,1660,1661,
&end
#
# 0 AMB 10-2:1005 107 GLU HN 5.5 (# 1005:10 Single)
&rst
ixpk= 1005, nxpk= 10, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1616,1617,1619,1620,1660,1661,1614,
&end
#
# 0 AMB 10-2:1006 107 GLU HN 5.5 (# 1006:10 Single)
&rst
ixpk= 1006, nxpk= 10, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1619,1620,1560,1561,1676,1677,1678,
&end
#
# 108 LYS HG+ 107 GLU HN 7.0 (# 1007:10 Unique)
&rst
ixpk= 1007, nxpk= 10, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1616,1617,
&end
#
# 0 AMB 10-2:1008 107 GLU HN 5.5 (# 1008:10 Single)
&rst
ixpk= 1008, nxpk= 10, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
1798,1799,1544,1545,1546,
&end
#
# 107 GLU HN 104 ILE QG2 5.5 (# 1009:10 Single)
&rst
ixpk= 1009, nxpk= 10, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1556,1557,1558,
&end
#
# 0 AMB 10-2:1010 107 GLU HN 5.5 (# 1010:10 Single)
&rst
ixpk= 1010, nxpk= 10, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1542,1663,1664,
&end
#
# 0 AMB 10-2:1011 108 LYS HN 5.5 (# 1011:10 Single)
&rst
ixpk= 1011, nxpk= 10, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1582,1633,
&end
#
# 110 LYS HN 109 ILE HN 3.5 (# 1012:10 Unique)
&rst
ixpk= 1012, nxpk= 10, iat=1650,1631, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1013 109 ILE HN 3.5 (# 1013:10 Single)
&rst
ixpk= 1013, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 168, 169, 170, 172, 173, 174,1793,1794,1795,1797,
1798,1799,
&end
#
# 109 ILE QD1 109 ILE HN 3.5 (# 1014:10 Unique)
&rst
ixpk= 1014, nxpk= 10, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1644,1645,1646,
&end
#
# 109 ILE HN 110 LYS HN 3.5 (# 1015:10 Unique)
&rst
ixpk= 1015, nxpk= 10, iat=1631,1650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 ALA HN 110 LYS HN 3.5 (# 1016:10 Unique)
&rst
ixpk= 1016, nxpk= 10, iat=1672,1650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 LYS HA 110 LYS HN 3.5 (# 1017:10 Unique)
&rst
ixpk= 1017, nxpk= 10, iat=1652,1650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1018 110 LYS HN 4.5 (# 1018:10 Single)
&rst
ixpk= 1018, nxpk= 10, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1633,1582,
&end
#
# 0 AMB 10-2:1019 110 LYS HN 4.5 (# 1019:10 Single)
&rst
ixpk= 1019, nxpk= 10, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1657,1658,1676,1677,1678,
&end
#
# 0 AMB 10-2:1020 110 LYS HN 3.5 (# 1020:10 Single)
&rst
ixpk= 1020, nxpk= 10, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
1798,1799,
&end
#
# 0 AMB 10-2:1021 110 LYS HN 5.5 (# 1021:10 Single)
&rst
ixpk= 1021, nxpk= 10, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1637,1638,1639, 168, 169, 170, 172, 173, 174,
&end
#
# 110 LYS HA 111 ALA HN 7.0 (# 1022:10 Unique)
&rst
ixpk= 1022, nxpk= 10, iat=1652,1672, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 107 GLU HA 111 ALA HN 4.5 (# 1023:10 Unique)
&rst
ixpk= 1023, nxpk= 10, iat=1596,1672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 TYR HN 111 ALA HN 5.5 (# 1024:10 Unique)
&rst
ixpk= 1024, nxpk= 10, iat=1704,1672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ILE HA 112 LYS HN 5.5 (# 1025:10 Unique)
&rst
ixpk= 1025, nxpk= 10, iat=1633,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1026 112 LYS HN 5.5 (# 1026:10 Single)
&rst
ixpk= 1026, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 166,1613,
&end
#
# 0 AMB 10-2:1027 112 LYS HN 5.5 (# 1027:10 Single)
&rst
ixpk= 1027, nxpk= 10, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 168, 169, 170, 172, 173, 174,1793,1794,1795,1797,
1798,1799,
&end
#
# 119 THR MG2 118 VAL HN 5.5 (# 1028:10 Unique)
&rst
ixpk= 1028, nxpk= 10, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1809,1810,1811,
&end
#
# 0 AMB 10-2:1029 118 VAL HN 5.5 (# 1029:10 Single)
&rst
ixpk= 1029, nxpk= 10, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1660,1661,1657,1658,
&end
#
# 117 GLU HG- 118 VAL HN 4.5 (# 1030:10 Unique)
&rst
ixpk= 1030, nxpk= 10, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1779,1780,
&end
#
# 117 GLU HG+ 118 VAL HN 4.5 (# 1031:10 Unique)
&rst
ixpk= 1031, nxpk= 10, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1779,1780,
&end
#
# 118 VAL HA 118 VAL HN 4.5 (# 1032:10 Unique)
&rst
ixpk= 1032, nxpk= 10, iat=1789,1787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 ALA HA 120 TRP HN 5.5 (# 1034:10 Unique)
&rst
ixpk= 1034, nxpk= 10, iat=1843,1817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 HIS HE1 120 TRP HN 5.5 (# 1035:10 Unique)
&rst
ixpk= 1035, nxpk= 10, iat=1344,1817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 ALA HN 120 TRP HN 5.5 (# 1036:10 Unique)
&rst
ixpk= 1036, nxpk= 10, iat=1841,1817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 THR HN 120 TRP HN 5.5 (# 1037:10 Unique)
&rst
ixpk= 1037, nxpk= 10, iat=1803,1817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 TRP HE1 120 TRP HN 7.0 (# 1038:10 Unique)
&rst
ixpk= 1038, nxpk= 10, iat=1827,1817, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 91 TYR HB- 121 ALA HN 4.5 (# 1039:10 Unique)
&rst
ixpk= 1039, nxpk= 10, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1371,1372,
&end
#
# 90 VAL HB 121 ALA HN 5.5 (# 1040:10 Unique)
&rst
ixpk= 1040, nxpk= 10, iat=1355,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 VAL HN 121 ALA HN 4.5 (# 1041:10 Unique)
&rst
ixpk= 1041, nxpk= 10, iat=1351,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1042 121 ALA HN 7.0 (# 1042:10 Single)
&rst
ixpk= 1042, nxpk= 10, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1528,1855,1856,
&end
#
# 122 ASN HB+ 122 ASN HN 4.5 (# 1043:10 Unique)
&rst
ixpk= 1043, nxpk= 10, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1855,1856,
&end
#
# 122 ASN HA 122 ASN HN 4.5 (# 1044:10 Unique)
&rst
ixpk= 1044, nxpk= 10, iat=1853,1851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 ASP HN 122 ASN HN 5.5 (# 1045:10 Unique)
&rst
ixpk= 1045, nxpk= 10, iat=1865,1851, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASN HN 123 ASP HN 4.5 (# 1046:10 Unique)
&rst
ixpk= 1046, nxpk= 10, iat=1851,1865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 ASN HB+ 123 ASP HN 4.5 (# 1047:10 Unique)
&rst
ixpk= 1047, nxpk= 10, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1855,1856,
&end
#
# 122 ASN HB- 123 ASP HN 4.5 (# 1048:10 Unique)
&rst
ixpk= 1048, nxpk= 10, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1855,1856,
&end
#
# 125 TYR HN 124 GLY HN 4.5 (# 1049:10 Unique)
&rst
ixpk= 1049, nxpk= 10, iat=1884,1877, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 ASP HN 124 GLY HN 5.5 (# 1050:10 Unique)
&rst
ixpk= 1050, nxpk= 10, iat=1865,1877, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 GLN HE2+ 82 GLN HN 5.5 (# 1057:10 Unique)
&rst
ixpk= 1057, nxpk= 10, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1226,1227,
&end
#
# 0 AMB 10-2:1058 120 TRP HE1 5.5 (# 1058:10 Single)
&rst
ixpk= 1058, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1584,1525,1508,
&end
#
# 0 AMB 10-2:1059 120 TRP HE1 5.5 (# 1059:10 Single)
&rst
ixpk= 1059, nxpk= 10, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1540,1817,
&end
#
# 106 THR HN 120 TRP HE1 7.0 (# 1060:10 Unique)
&rst
ixpk= 1060, nxpk= 10, iat=1580,1827, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 13 ASP HA 13 ASP HN 3.5 (# 1061:10 Unique)
&rst
ixpk= 1061, nxpk= 10, iat= 180, 178, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 ARG HD- 13 ASP HN 5.5 (# 1062:10 Unique)
&rst
ixpk= 1062, nxpk= 10, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 670, 671,
&end
#
# 45 ARG HD+ 13 ASP HN 5.5 (# 1063:10 Unique)
&rst
ixpk= 1063, nxpk= 10, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 670, 671,
&end
#
# 6 LEU HN 5 ASP HN 4.5 (# 1064:10 Unique)
&rst
ixpk= 1064, nxpk= 10, iat= 69, 57, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ILE HN 7 ALA MB 4.5 (# 1065:10 Unique)
&rst
ixpk= 1065, nxpk= 10, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 92, 93, 94,
&end
#
# 122 ASN HB+ 122 ASN HD2- 4.5 (# 1066:10 Unique)
&rst
ixpk= 1066, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1855,1856,
igr2=1860,1861,
&end
#
# 45 ARG HA 13 ASP HN 4.5 (# 1069:10 Unique)
&rst
ixpk= 1069, nxpk= 10, iat= 662, 178, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1070 26 ARG HE 3.5 (# 1070:10 Single)
&rst
ixpk= 1070, nxpk= 10, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 394, 395, 394, 395,
&end
#
# 26 ARG HE 26 ARG HB2 5.5 (# 1071:10 Single)
&rst
ixpk= 1071, nxpk= 10, iat= 397, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ARG HB3 26 ARG HE 7.0 (# 1072:10 Unique)
&rst
ixpk= 1072, nxpk= 10, iat= 389, 397, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 26 ARG HG+ 26 ARG HE 5.5 (# 1073:10 Unique)
&rst
ixpk= 1073, nxpk= 10, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 391, 392,
&end
#
# 74 LEU MDX 26 ARG HE 4.5 (# 1074:10 Unique)
&rst
ixpk= 1074, nxpk= 10, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1112,1113,1114,1116,1117,1118,
&end
#
# 90 VAL HA 90 VAL HN 5.5 (# 1075:10 Unique)
&rst
ixpk= 1075, nxpk= 10, iat=1353,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ASP HB3 13 ASP HN 5.5 (# 1077:10 Unique)
&rst
ixpk= 1077, nxpk= 10, iat= 183, 178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ASP HB2 13 ASP HN 5.5 (# 1078:10 Unique)
&rst
ixpk= 1078, nxpk= 10, iat= 182, 178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1079 13 ASP HN 5.5 (# 1079:10 Single)
&rst
ixpk= 1079, nxpk= 10, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 200, 201, 143, 144,
&end
#
# 0 AMB 10-2:1080 13 ASP HN 4.5 (# 1080:10 Single)
&rst
ixpk= 1080, nxpk= 10, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 162, 190,
&end
#
# 44 VAL HN 13 ASP HN 5.5 (# 1081:10 Unique)
&rst
ixpk= 1081, nxpk= 10, iat= 644, 178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 PRO HA 11 ASP HN 5.5 (# 1082:10 Unique)
&rst
ixpk= 1082, nxpk= 10, iat= 146, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LEU MDX 30 ALA HN 7.0 (# 1083:10 Unique)
&rst
ixpk= 1083, nxpk= 10, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 6 LEU HA 9 ILE HN 4.5 (# 1090:10 Unique)
&rst
ixpk= 1090, nxpk= 10, iat= 71, 117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 PRO HD+ 9 ILE HN 5.5 (# 1091:10 Unique)
&rst
ixpk= 1091, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 137, 138,
&end
#
# 0 AMB 10-2:1092 9 ILE HN 5.5 (# 1092:10 Single)
&rst
ixpk= 1092, nxpk= 10, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 601, 602, 61, 62,
&end
#
# 7 ALA HN 9 ILE HN 5.5 (# 1093:10 Unique)
&rst
ixpk= 1093, nxpk= 10, iat= 88, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLY HN 64 MET HN 5.5 (# 1099:10 Unique)
&rst
ixpk= 1099, nxpk= 10, iat= 944, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LYS HN 64 MET HN 5.5 (# 1100:10 Unique)
&rst
ixpk= 1100, nxpk= 10, iat= 997, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 VAL HN 119 THR HN 5.5 (# 1101:10 Unique)
&rst
ixpk= 1101, nxpk= 10, iat=1787,1803, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 THR HN 90 VAL HN 5.5 (# 1102:10 Unique)
&rst
ixpk= 1102, nxpk= 10, iat=1803,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1107 12 VAL HN 4.5 (# 1107:10 Single)
&rst
ixpk= 1107, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 644, 150,
&end
#
# 45 ARG HE 12 VAL HN 5.5 (# 1108:10 Unique)
&rst
ixpk= 1108, nxpk= 10, iat= 673, 162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 GLN HG+ 82 GLN HE2- 4.5 (# 1115:10 Unique)
&rst
ixpk= 1115, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1221,1222,
igr2=1226,1227,
&end
#
# 101 GLN HG- 101 GLN HE2+ 4.5 (# 1116:10 Unique)
&rst
ixpk= 1116, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1513,1514,
igr2=1518,1519,
&end
#
# 0 AMB 10-2:1117 0 AMB 10-1:1117 5.5 (# 1117:10 Double)
&rst
ixpk= 1117, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1563,1564,1565,1112,1113,1114,1116,1117,1118,
igr2=1518,1519,1518,1519,
&end
#
# 0 AMB 10-2:1118 101 GLN HE2- 4.5 (# 1118:10 Single)
&rst
ixpk= 1118, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1563,1564,1565,1112,1113,1114,1116,1117,1118,
igr2=1518,1519,
&end
#
# 101 GLN HG- 101 GLN HE2- 5.5 (# 1119:10 Unique)
&rst
ixpk= 1119, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1513,1514,
igr2=1518,1519,
&end
#
# 122 ASN HA 122 ASN HD2+ 7.0 (# 1120:10 Unique)
&rst
ixpk= 1120, nxpk= 10, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1860,1861,
&end
#
# 0 AMB 10-2:1121 0 AMB 10-1:1121 4.5 (# 1121:10 Double)
&rst
ixpk= 1121, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 987, 988,1058,1059,
igr2= 992, 993, 992, 993,
&end
#
# 0 AMB 10-2:1122 65 GLN HE2- 5.5 (# 1122:10 Single)
&rst
ixpk= 1122, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 987, 988,1058,1059,
igr2= 992, 993,
&end
#
# 97 TYR HA 97 TYR HN 3.5 (# 1123:10 Unique)
&rst
ixpk= 1123, nxpk= 10, iat=1456,1454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 TYR HB+ 97 TYR HN 5.5 (# 1124:10 Unique)
&rst
ixpk= 1124, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1458,1459,
&end
#
# 97 TYR HB- 97 TYR HN 4.5 (# 1125:10 Unique)
&rst
ixpk= 1125, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1458,1459,
&end
#
# 96 ALA MB 97 TYR HN 3.5 (# 1126:10 Unique)
&rst
ixpk= 1126, nxpk= 10, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1448,1449,1450,
&end
#
# 49 TRP HD1 49 TRP HE1 2.8 (# 1131:10 Unique)
&rst
ixpk= 1131, nxpk= 10, iat= 742, 744, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 TRP HH2 49 TRP HE1 5.5 (# 1132:10 Unique)
&rst
ixpk= 1132, nxpk= 10, iat= 749, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 TRP HZ2 49 TRP HE1 2.8 (# 1133:10 Unique)
&rst
ixpk= 1133, nxpk= 10, iat= 747, 744, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 47 TYR HD 49 TRP HE1 3.5 (# 1134:10 Unique)
&rst
ixpk= 1134, nxpk= 10, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 699, 708,
&end
#
# 5 ASP HN 8 LEU HN 7.0 (# 1138:10 Unique)
&rst
ixpk= 1138, nxpk= 10, iat= 57, 98, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 6 LEU HA 8 LEU HN 5.5 (# 1140:10 Unique)
&rst
ixpk= 1140, nxpk= 10, iat= 71, 98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ASP HA 8 LEU HN 5.5 (# 1141:10 Unique)
&rst
ixpk= 1141, nxpk= 10, iat= 59, 98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 TYR HA 76 GLY HN 7.0 (# 1142:10 Unique)
&rst
ixpk= 1142, nxpk= 10, iat=1397,1129, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 100 ALA HA 76 GLY HN 5.5 (# 1143:10 Unique)
&rst
ixpk= 1143, nxpk= 10, iat=1498,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 LYS HA 88 ILE HN 7.0 (# 1144:10 Unique)
&rst
ixpk= 1144, nxpk= 10, iat=1295,1315, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 89 HIS HE1 121 ALA HN 5.5 (# 1145:10 Unique)
&rst
ixpk= 1145, nxpk= 10, iat=1344,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 ILE HG1+ 47 TYR HN 7.0 (# 1146:10 Unique)
&rst
ixpk= 1146, nxpk= 10, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 853, 854,
&end
#
# 98 GLY HN 97 TYR HN 4.5 (# 1148:10 Unique)
&rst
ixpk= 1148, nxpk= 10, iat=1475,1454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 TYR HD 98 GLY HN 5.5 (# 1149:10 Unique)
&rst
ixpk= 1149, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1462,1471,
&end
#
# 96 ALA MB 98 GLY HN 7.0 (# 1150:10 Unique)
&rst
ixpk= 1150, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1448,1449,1450,
&end
#
# 75 GLY HA+ 98 GLY HN 7.0 (# 1151:10 Unique)
&rst
ixpk= 1151, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1124,1125,
&end
#
# 99 PRO HD- 98 GLY HN 7.0 (# 1152:10 Unique)
&rst
ixpk= 1152, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1483,1484,
&end
#
# 76 GLY HN 94 SER HN 7.0 (# 1154:10 Unique)
&rst
ixpk= 1154, nxpk= 10, iat=1129,1416, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 90 VAL HB 91 TYR HN 7.0 (# 1158:10 Unique)
&rst
ixpk= 1158, nxpk= 10, iat=1355,1367, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 94 SER HA 94 SER HN 7.0 (# 1159:10 Unique)
&rst
ixpk= 1159, nxpk= 10, iat=1418,1416, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 67 GLN HB3 4 ALA HN 7.0 (# 1160:10 Unique)
&rst
ixpk= 1160, nxpk= 10, iat=1024, 47, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 10-2:1161 12 VAL HN 7.0 (# 1161:10 Single)
&rst
ixpk= 1161, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1692,1693, 667, 668,
&end
#
# 14 ILE HN 14 ILE HB 5.5 (# 1162:10 Double)
&rst
ixpk= 1162, nxpk= 10, iat= 190, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 PRO HB- 12 VAL HN 4.5 (# 1163:10 Unique)
&rst
ixpk= 1163, nxpk= 10, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 143, 144,
&end
#
# 35 ALA HN 36 PRO HD- 4.5 (# 1164:10 Unique)
&rst
ixpk= 1164, nxpk= 10, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 529, 530,
&end
#
# 57 TYR HE 72 GLU HN 7.0 (# 1165:10 Unique)
&rst
ixpk= 1165, nxpk= 10, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 872, 877,
&end
#
# 12 VAL MGX 113 TYR HN 5.5 (# 1166:10 Unique)
&rst
ixpk= 1166, nxpk= 10, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 168, 169, 170, 172, 173, 174,
&end
#
# 56 ILE HG1+ 57 TYR HN 7.0 (# 1168:10 Unique)
&rst
ixpk= 1168, nxpk= 10, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 853, 854,
&end
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