NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
532590 |
2li3   |
17876 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 22 CYSS HA 26 CYSS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 292, 355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 25 ASN HN 25 ASN HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 341, 346, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 25 ASN HN 25 ASN HB2 3.07
&rst
ixpk= 0, nxpk= 0, iat= 341, 345, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 10 ALA HN 10 ALA QB 2.85
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 120, 121, 122,
&end
#
# 9 CYSS HN 9 CYSS HB3 3.53
&rst
ixpk= 0, nxpk= 0, iat= 106, 111, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 9 CYSS HN 9 CYSS HB2 3.13
&rst
ixpk= 0, nxpk= 0, iat= 106, 110, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 7 GLU HA 9 CYSS HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 72, 106, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 8 TYR HN 8 TYR HB2 2.88
&rst
ixpk= 0, nxpk= 0, iat= 85, 89, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 8 TYR HN 8 TYR HB3 2.91
&rst
ixpk= 0, nxpk= 0, iat= 85, 90, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 8 TYR HB2 9 CYSS HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 89, 106, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 8 TYR HB3 9 CYSS HN 3.16
&rst
ixpk= 0, nxpk= 0, iat= 90, 106, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 7 GLU HN 7 GLU QG 4.06
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 77, 78,
&end
#
# 7 GLU HN 7 GLU HB3 3.15
&rst
ixpk= 0, nxpk= 0, iat= 70, 75, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 7 GLU HN 7 GLU HB2 3.15
&rst
ixpk= 0, nxpk= 0, iat= 70, 74, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 7 GLU HA 7 GLU QG 4.01
&rst
ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 77, 78,
&end
#
# 6 PRO QD 7 GLU HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 57, 58,
&end
#
# 5 MET HB3 7 GLU HN 3.44
&rst
ixpk= 0, nxpk= 0, iat= 44, 70, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 6 PRO QG 7 GLU HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 60, 61,
&end
#
# 6 PRO HB2 7 GLU HN 3.34
&rst
ixpk= 0, nxpk= 0, iat= 63, 70, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 9 CYSS HB2 10 ALA HN 3.25
&rst
ixpk= 0, nxpk= 0, iat= 110, 116, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 5 MET HN 5 MET HG2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 39, 46, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 5 MET HN 5 MET HB3 3.58
&rst
ixpk= 0, nxpk= 0, iat= 39, 44, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 5 MET HN 5 MET HB2 3.01
&rst
ixpk= 0, nxpk= 0, iat= 39, 43, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 4 CYSS HN 4 CYSS HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 29, 34, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 4 CYSS HN 4 CYSS HB2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 29, 33, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 5 MET HN 8 TYR HB3 3.31
&rst
ixpk= 0, nxpk= 0, iat= 39, 90, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 10 ALA QB 11 GLY HN 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 120, 121, 122,
&end
#
# 7 GLU HA 10 ALA QB 3.46
&rst
ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 120, 121, 122,
&end
#
# 10 ALA HN 11 GLY HN 3.28
&rst
ixpk= 0, nxpk= 0, iat= 116, 126, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 17 VAL HN 17 VAL HB 2.89
&rst
ixpk= 0, nxpk= 0, iat= 213, 217, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 17 VAL HN 17 VAL QG1 3.79
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 219, 220, 221,
&end
#
# 17 VAL HA 17 VAL QG2 3.10
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 223, 224, 225,
&end
#
# 17 VAL HA 17 VAL QG1 3.36
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 219, 220, 221,
&end
#
# 18 SER HN 18 SER HB3 3.61
&rst
ixpk= 0, nxpk= 0, iat= 229, 234, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 18 SER HN 18 SER HB2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 229, 233, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 17 VAL HN 18 SER HN 3.17
&rst
ixpk= 0, nxpk= 0, iat= 213, 229, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 17 VAL HB 18 SER HN 3.08
&rst
ixpk= 0, nxpk= 0, iat= 217, 229, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 17 VAL QG2 18 SER HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 223, 224, 225,
&end
#
# 17 VAL QG1 18 SER HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 219, 220, 221,
&end
#
# 19 GLN HN 19 GLN HG3 3.11
&rst
ixpk= 0, nxpk= 0, iat= 240, 248, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 19 GLN HN 19 GLN HG2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 240, 247, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 19 GLN HN 19 GLN HB2 2.96
&rst
ixpk= 0, nxpk= 0, iat= 240, 244, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 19 GLN HA 19 GLN HG3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 242, 248, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 19 GLN HA 19 GLN HG2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 242, 247, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 19 GLN HN 19 GLN HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 240, 245, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 19 GLN HN 20 ASP HN 3.23
&rst
ixpk= 0, nxpk= 0, iat= 240, 257, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 20 ASP HN 20 ASP HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 257, 262, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 20 ASP HN 20 ASP HB2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 257, 261, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 14 ARG HN 14 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160, 171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASP HN 21 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 257, 273, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 ARG HN 14 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160, 170, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 ARG HN 14 ARG QB 2.99
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 164, 165,
&end
#
# 20 ASP HN 23 LEU HG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 257, 307, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 13 CYSS HN 13 CYSS HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 150, 155, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 13 CYSS HN 13 CYSS HB2 3.21
&rst
ixpk= 0, nxpk= 0, iat= 150, 154, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 12 GLN HN 12 GLN HG3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 133, 141, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 12 GLN HN 12 GLN HG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 133, 140, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 12 GLN HN 12 GLN QB 3.19
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 137, 138,
&end
#
# 21 TYR HN 21 TYR HB3 3.01
&rst
ixpk= 0, nxpk= 0, iat= 269, 274, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 21 TYR HN 21 TYR HB2 2.95
&rst
ixpk= 0, nxpk= 0, iat= 269, 273, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 24 LYS HN 24 LYS QD 4.37
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 329, 330,
&end
#
# 24 LYS HN 24 LYS HG3 4.57
&rst
ixpk= 0, nxpk= 0, iat= 319, 327, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 24 LYS HN 24 LYS HG2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 319, 326, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 24 LYS HN 24 LYS QB 3.08
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 323, 324,
&end
#
# 28 CYSS HN 28 CYSS HB2 3.04
&rst
ixpk= 0, nxpk= 0, iat= 389, 393, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 29 ILE HA 30 ARG HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= 401, 418, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 29 ILE HN 29 ILE HB 3.10
&rst
ixpk= 0, nxpk= 0, iat= 399, 403, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 29 ILE HN 29 ILE QG2 3.14
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 405, 406, 407,
&end
#
# 29 ILE HN 29 ILE QD1 4.84
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 412, 413, 414,
&end
#
# 29 ILE QD1 30 ARG HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 412, 413, 414,
&end
#
# 29 ILE HA 29 ILE QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 412, 413, 414,
&end
#
# 29 ILE HB 29 ILE QD1 3.53
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 412, 413, 414,
&end
#
# 29 ILE HA 29 ILE QG2 3.44
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 405, 406, 407,
&end
#
# 29 ILE HA 29 ILE HG13 3.84
&rst
ixpk= 0, nxpk= 0, iat= 401, 410, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 29 ILE HG13 30 ARG HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 410, 418, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 30 ARG HB3 30 ARG HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 423, 431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ARG HB2 30 ARG HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 422, 431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ARG HN 27 ARG HB2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 365, 369, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 27 ARG HN 27 ARG HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 365, 370, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 27 ARG HN 27 ARG QG 3.36
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 372, 373,
&end
#
# 27 ARG HB3 27 ARG QD 3.87
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 375, 376,
&end
#
# 27 ARG HB2 27 ARG QD 3.67
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 375, 376,
&end
#
# 27 ARG HN 27 ARG QD 5.23
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 375, 376,
&end
#
# 21 TYR QD 29 ILE QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 277, 286,
igr2= 412, 413, 414,
&end
#
# 21 TYR QD 29 ILE QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 277, 286,
igr2= 405, 406, 407,
&end
#
# 17 VAL QG1 21 TYR QD 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 219, 220, 221,
igr2= 277, 286,
&end
#
# 21 TYR QD 29 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 277, 286,
&end
#
# 23 LEU HN 23 LEU HB2 3.01
&rst
ixpk= 0, nxpk= 0, iat= 300, 304, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 23 LEU HN 23 LEU HG 3.55
&rst
ixpk= 0, nxpk= 0, iat= 300, 307, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 23 LEU HN 23 LEU QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 309, 310, 311,
&end
#
# 23 LEU HN 23 LEU QD2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 313, 314, 315,
&end
#
# 23 LEU HA 23 LEU HG 3.99
&rst
ixpk= 0, nxpk= 0, iat= 302, 307, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 23 LEU HB2 23 LEU QD1 3.07
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 309, 310, 311,
&end
#
# 23 LEU HB3 23 LEU QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 309, 310, 311,
&end
#
# 23 LEU HA 23 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 309, 310, 311,
&end
#
# 6 PRO HB2 23 LEU QD2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 313, 314, 315,
&end
#
# 23 LEU HB2 23 LEU QD2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 313, 314, 315,
&end
#
# 23 LEU HB3 23 LEU QD2 2.93
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 313, 314, 315,
&end
#
# 23 LEU HA 23 LEU QD2 2.98
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 313, 314, 315,
&end
#
# 30 ARG HN 30 ARG HG3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 418, 426, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 30 ARG HN 30 ARG HG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 418, 425, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 30 ARG HA 30 ARG QD 4.74
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 428, 429,
&end
#
# 16 LYS HN 16 LYS HB3 3.02
&rst
ixpk= 0, nxpk= 0, iat= 191, 196, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 16 LYS HN 16 LYS HB2 3.02
&rst
ixpk= 0, nxpk= 0, iat= 191, 195, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 16 LYS HN 16 LYS HG3 4.94
&rst
ixpk= 0, nxpk= 0, iat= 191, 199, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 16 LYS HN 16 LYS HG2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 191, 198, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 22 CYSS HN 22 CYSS HB3 2.91
&rst
ixpk= 0, nxpk= 0, iat= 290, 295, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 22 CYSS HN 22 CYSS HB2 2.93
&rst
ixpk= 0, nxpk= 0, iat= 290, 294, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 7 GLU HN 10 ALA HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= 70, 116, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 7 GLU HN 9 CYSS HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= 70, 106, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 5 MET HN 8 TYR HB2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 39, 89, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 4 CYSS HN 5 MET HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 29, 39, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 5 MET HN 8 TYR HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 39, 85, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 8 TYR HN 10 ALA HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 85, 116, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 9 CYSS HN 10 ALA HN 3.34
&rst
ixpk= 0, nxpk= 0, iat= 106, 116, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 8 TYR HN 9 CYSS HN 3.13
&rst
ixpk= 0, nxpk= 0, iat= 85, 106, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 8 TYR HA 8 TYR QD 3.97
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 93, 102,
&end
#
# 30 ARG HA 30 ARG HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 420, 431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 CYSS HN 10 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 120, 121, 122,
&end
#
# 9 CYSS HN 23 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 313, 314, 315,
&end
#
# 10 ALA HN 12 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 116, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 GLY HN 13 CYSS HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= 126, 150, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 11 GLY HN 12 GLN HN 3.00
&rst
ixpk= 0, nxpk= 0, iat= 126, 133, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 12 GLN HN 13 CYSS HN 2.98
&rst
ixpk= 0, nxpk= 0, iat= 133, 150, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 12 GLN QB 13 CYSS HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 137, 138,
&end
#
# 13 CYSS HN 14 ARG HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 150, 160, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 14 ARG QB 15 GLY HN 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 164, 165,
&end
#
# 16 LYS HN 17 VAL QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 223, 224, 225,
&end
#
# 16 LYS HN 17 VAL HB 4.43
&rst
ixpk= 0, nxpk= 0, iat= 191, 217, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 15 GLY HA3 16 LYS HN 2.82
&rst
ixpk= 0, nxpk= 0, iat= 187, 191, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 16 LYS HN 17 VAL HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 191, 215, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 17 VAL HN 17 VAL QG2 3.02
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 223, 224, 225,
&end
#
# 21 TYR HN 29 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LYS HN 17 VAL HN 3.18
&rst
ixpk= 0, nxpk= 0, iat= 191, 213, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 18 SER HN 29 ILE QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 405, 406, 407,
&end
#
# 18 SER HN 19 GLN HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 229, 244, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 13 CYSS HB3 18 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 155, 229, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 SER HN 19 GLN HA 5.41
&rst
ixpk= 0, nxpk= 0, iat= 229, 242, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 15 GLY HA3 18 SER HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 187, 229, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 15 GLY HA3 19 GLN HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 187, 240, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 17 VAL HA 19 GLN HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 215, 240, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 16 LYS HA 19 GLN HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= 193, 240, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 18 SER HB2 19 GLN HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 233, 240, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 18 SER HB3 19 GLN HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 234, 240, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 17 VAL HN 19 GLN HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 213, 240, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 19 GLN HN 21 TYR HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 240, 269, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 21 TYR QE 27 ARG QD 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 279, 286,
igr2= 375, 376,
&end
#
# 21 TYR QE 25 ASN HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 279, 286,
&end
#
# 21 TYR QE 27 ARG HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 279, 286,
&end
#
# 21 TYR QE 27 ARG HB3 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 279, 286,
&end
#
# 21 TYR QE 27 ARG QG 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 279, 286,
igr2= 372, 373,
&end
#
# 21 TYR QE 29 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 279, 286,
&end
#
# 21 TYR QE 29 ILE QD1 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 279, 286,
igr2= 412, 413, 414,
&end
#
# 21 TYR QD 29 ILE HA 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 277, 286,
&end
#
# 27 ARG QG 27 ARG HE 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 372, 373,
&end
#
# 21 TYR QD 27 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 277, 286,
&end
#
# 27 ARG HB3 27 ARG HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 370, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 TYR HN 21 TYR QD 4.39
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 277, 286,
&end
#
# 21 TYR QD 22 CYSS HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 277, 286,
&end
#
# 21 TYR HB2 22 CYSS HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 273, 290, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 9 CYSS HB3 22 CYSS HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 111, 290, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 21 TYR HB3 22 CYSS HN 3.26
&rst
ixpk= 0, nxpk= 0, iat= 274, 290, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 19 GLN HA 22 CYSS HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= 242, 290, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 22 CYSS HN 23 LEU HN 3.34
&rst
ixpk= 0, nxpk= 0, iat= 290, 300, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 22 CYSS HN 24 LYS HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 290, 319, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 21 TYR HN 22 CYSS HN 3.22
&rst
ixpk= 0, nxpk= 0, iat= 269, 290, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 22 CYSS HB3 23 LEU HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= 295, 300, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 22 CYSS HB2 23 LEU HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 294, 300, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 9 CYSS HB3 23 LEU HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 111, 300, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 23 LEU HN 24 LYS HN 3.34
&rst
ixpk= 0, nxpk= 0, iat= 300, 319, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 21 TYR HN 23 LEU HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= 269, 300, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 23 LEU HB2 24 LYS HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= 304, 319, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 23 LEU HB3 24 LYS HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= 305, 319, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 24 LYS HN 25 ASN HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 319, 346, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 LEU HG 24 LYS HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= 307, 319, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 24 LYS QB 25 ASN HN 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 323, 324,
&end
#
# 22 CYSS HA 25 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 292, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LYS HN 25 ASN HN 2.87
&rst
ixpk= 0, nxpk= 0, iat= 319, 341, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 24 LYS QZ 25 ASN HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 335, 336, 337,
&end
#
# 24 LYS HN 24 LYS QZ 3.08
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 335, 336, 337,
&end
#
# 21 TYR QD 24 LYS QZ 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 277, 286,
igr2= 335, 336, 337,
&end
#
# 25 ASN HN 27 ARG HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 341, 365, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 25 ASN HN 26 CYSS HN 2.98
&rst
ixpk= 0, nxpk= 0, iat= 341, 355, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 25 ASN HB2 26 CYSS HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 345, 355, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 24 LYS HN 26 CYSS HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 319, 355, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 26 CYSS HN 27 ARG HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= 355, 365, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 25 ASN HB3 27 ARG HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 346, 365, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 27 ARG HN 28 CYSS HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 365, 389, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 27 ARG HB2 28 CYSS HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= 369, 389, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 27 ARG HB3 28 CYSS HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= 370, 389, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 27 ARG QG 28 CYSS HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 372, 373,
&end
#
# 28 CYSS HN 29 ILE HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 389, 399, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 28 CYSS HB3 29 ILE HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= 394, 399, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 28 CYSS HB2 29 ILE HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 393, 399, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 21 TYR HB3 29 ILE HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 274, 399, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 21 TYR HB2 29 ILE HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 273, 399, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 21 TYR QD 29 ILE HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 277, 286,
&end
#
# 21 TYR QE 30 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 279, 286,
&end
#
# 19 GLN HB2 20 ASP HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 244, 257, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 19 GLN HB3 20 ASP HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 245, 257, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 14 ARG HN 19 GLN HG2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 160, 247, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 19 GLN HG2 20 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 247, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASP HN 21 TYR HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 257, 269, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 8 TYR QD 9 CYSS HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 93, 102,
&end
#
# 5 MET HN 8 TYR QD 4.63
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 93, 102,
&end
#
# 7 GLU HN 8 TYR HN 3.38
&rst
ixpk= 0, nxpk= 0, iat= 70, 85, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 21 TYR QD 24 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 277, 286,
&end
#
# 7 GLU HN 10 ALA QB 5.48
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 120, 121, 122,
&end
#
# 13 CYSS HB2 14 ARG HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= 154, 160, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 13 CYSS HB3 14 ARG HN 3.41
&rst
ixpk= 0, nxpk= 0, iat= 155, 160, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 19 GLN HG3 20 ASP HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 248, 257, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 18 SER HN 20 ASP HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 229, 257, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 16 LYS HA 20 ASP HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 193, 257, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 17 VAL HA 20 ASP HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 215, 257, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 ASP HN 23 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 257, 300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LYS HN 20 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 191, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 ARG HN 15 GLY HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 160, 184, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 22 CYSS HN 25 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 290, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 CYSS HB3 10 ALA HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= 111, 116, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 9 CYSS HB2 22 CYSS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 110, 290, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 CYSS HB2 23 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 110, 300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ALA HN 19 GLN HG2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 116, 247, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 5 MET HN 6 PRO QD 4.60
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 57, 58,
&end
#
# 15 GLY HN 19 GLN HE21 4.01
&rst
ixpk= 0, nxpk= 0, iat= 184, 252, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 15 GLY HN 19 GLN HE22 4.43
&rst
ixpk= 0, nxpk= 0, iat= 184, 253, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 19 GLN HG2 19 GLN HE21 3.50
&rst
ixpk= 0, nxpk= 0, iat= 247, 252, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 GLN HG3 19 GLN HE21 3.47
&rst
ixpk= 0, nxpk= 0, iat= 248, 252, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 19 GLN HG3 19 GLN HE22 4.08
&rst
ixpk= 0, nxpk= 0, iat= 248, 253, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 10 ALA QB 19 GLN HE21 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 120, 121, 122,
&end
#
# 10 ALA QB 19 GLN HE22 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 120, 121, 122,
&end
#
# 21 TYR QD 27 ARG HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 277, 286,
&end
#
# 21 TYR HN 29 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 412, 413, 414,
&end
#
# 21 TYR QE 29 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 279, 286,
igr2= 405, 406, 407,
&end
#
# 21 TYR QE 29 ILE HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 279, 286,
&end
#
# 17 VAL QG1 21 TYR HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 219, 220, 221,
&end
#
# 21 TYR HB2 29 ILE QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 412, 413, 414,
&end
#
# 9 CYSS HB2 23 LEU QD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 313, 314, 315,
&end
#
# 9 CYSS HB3 23 LEU QD2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 313, 314, 315,
&end
#
# 17 VAL QG1 21 TYR HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 219, 220, 221,
&end
#
# 9 CYSS HB2 10 ALA HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 110, 118, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 9 CYSS HB3 10 ALA HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 111, 118, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 13 CYSS HB3 19 GLN HG2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 155, 247, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 18 SER HB3 29 ILE QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 405, 406, 407,
&end
#
# 20 ASP HA 23 LEU QD1 5.29
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 309, 310, 311,
&end
#
# 9 CYSS HB3 19 GLN HA 3.79
&rst
ixpk= 0, nxpk= 0, iat= 111, 242, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 13 CYSS HB3 19 GLN HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= 155, 242, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 19 GLN HA 22 CYSS HB2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 242, 294, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 13 CYSS HB2 19 GLN HA 4.01
&rst
ixpk= 0, nxpk= 0, iat= 154, 242, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 6 PRO QG 23 LEU QD2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 60, 61,
igr2= 313, 314, 315,
&end
#
# 21 TYR HB3 29 ILE HB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 274, 403, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 21 TYR HB3 29 ILE QD1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 412, 413, 414,
&end
#
# 6 PRO HB3 23 LEU QD2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 313, 314, 315,
&end
#
# 5 MET HB3 8 TYR HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 44, 85, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 21 TYR QD 25 ASN HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 277, 286,
&end
#
# 13 CYSS HB3 19 GLN HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= 155, 240, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 28 CYSS HA 29 ILE HN 3.09
&rst
ixpk= 0, nxpk= 0, iat= 391, 399, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 2 SER HN 2 SER QB 4.09
&rst
ixpk= 0, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 15, 16,
&end
#
# 14 ARG HA 15 GLY HN 3.10
&rst
ixpk= 0, nxpk= 0, iat= 162, 184, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 3 GLY HA3 4 CYSS HN 3.22
&rst
ixpk= 0, nxpk= 0, iat= 25, 29, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 3 GLY HA2 4 CYSS HN 3.22
&rst
ixpk= 0, nxpk= 0, iat= 24, 29, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 27 ARG HA 28 CYSS HN 2.83
&rst
ixpk= 0, nxpk= 0, iat= 367, 389, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 25 ASN HB3 26 CYSS HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 346, 355, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 21 TYR QD 28 CYSS HA 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 277, 286,
&end
#
# 7 GLU HN 9 CYSS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 70, 110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ALA HN 19 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 116, 242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 CYSS HA 5 MET HN 2.85
&rst
ixpk= 0, nxpk= 0, iat= 31, 39, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 18 SER HN 19 GLN HG3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 229, 248, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 10 ALA QB 19 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 120, 121, 122,
&end
#
# 21 TYR HN 22 CYSS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 TYR HN 22 CYSS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 295, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 PRO HB3 9 CYSS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 64, 106, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 CYSS HN 19 GLN HG2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 150, 247, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 27 ARG HB2 29 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 369, 399, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 ARG HA 19 GLN HE21 5.23
&rst
ixpk= 0, nxpk= 0, iat= 162, 252, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 19 GLN HA 19 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 242, 252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 TYR HA 21 TYR QD 3.83
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 277, 286,
&end
#
# 19 GLN HN 19 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 240, 252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ALA HN 19 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 116, 252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 TYR HB3 29 ILE QG2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 405, 406, 407,
&end
#
# 18 SER HB2 29 ILE QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 405, 406, 407,
&end
#
# 9 CYSS HB2 22 CYSS HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 110, 294, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 9 CYSS HB2 22 CYSS HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 110, 295, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 9 CYSS HB2 19 GLN HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= 110, 242, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 25 ASN HB3 27 ARG QG 4.79
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 372, 373,
&end
#
# 9 CYSS HB3 19 GLN HB3 5.11
&rst
ixpk= 0, nxpk= 0, iat= 111, 245, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 24 LYS QZ 25 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 335, 336, 337,
&end
#
# 24 LYS QZ 25 ASN HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 335, 336, 337,
&end
#
# 18 SER HA 29 ILE QD1 5.18
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 412, 413, 414,
&end
#
# 22 CYSS HB3 23 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 313, 314, 315,
&end
#
# 28 CYSS HB3 29 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 405, 406, 407,
&end
#
# 28 CYSS HB3 29 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 394, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 TYR HB2 29 ILE HB 5.46
&rst
ixpk= 0, nxpk= 0, iat= 273, 403, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 18 SER HA 29 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 231, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 VAL QG2 29 ILE QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 223, 224, 225,
igr2= 412, 413, 414,
&end
#
# 7 GLU HN 23 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 313, 314, 315,
&end
#
# 17 VAL HN 29 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 405, 406, 407,
&end
#
# 21 TYR HN 29 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 405, 406, 407,
&end
#
# 16 LYS HN 17 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 219, 220, 221,
&end
#
# 21 TYR HN 22 CYSS HB2 5.46
&rst
ixpk= 0, nxpk= 0, iat= 269, 294, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 19 GLN HA 21 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 242, 269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
# 441 atoms read from pdb file gstx1p1.amb.pdb.
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