NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
605053 |
5iej   |
30025 | cing | 1-original | 2 | AMBER | distance | NOE | simple |
# Restraints file 2: RST
#
# 3 ALA HA 4 LEU H 3.28
&rst
ixpk= 0, nxpk= 0, iat= 34, 42, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 3 ALA HA 4 LEU HG 4.54
&rst
ixpk= 0, nxpk= 0, iat= 34, 49, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 3 ALA QB 4 LEU H 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 36, 37, 38,
&end
#
# 3 ALA QB 4 LEU QD2 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 36, 37, 38,
igr2= 55, 56, 57,
&end
#
# 3 ALA QB 5 THR H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 36, 37, 38,
&end
#
# 3 ALA QB 5 THR HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 36, 37, 38,
&end
#
# 3 ALA QB 5 THR QG2 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 36, 37, 38,
igr2= 67, 68, 69,
&end
#
# 4 LEU H 4 LEU HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 42, 47, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 4 LEU H 4 LEU HG 3.72
&rst
ixpk= 0, nxpk= 0, iat= 42, 49, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 4 LEU H 4 LEU QD2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 55, 56, 57,
&end
#
# 4 LEU H 51 ASP HB2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 42, 755, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 4 LEU H 5 THR H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 42, 61, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 4 LEU H 6 GLN H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 42, 75, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 4 LEU HA 4 LEU QD2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 55, 56, 57,
&end
#
# 4 LEU HA 51 ASP H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 44, 751, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 4 LEU HA 51 ASP HB2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 44, 755, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 4 LEU HA 51 ASP HB3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 44, 756, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 4 LEU HA 5 THR H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 44, 61, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 LEU HA 6 GLN H 4.07
&rst
ixpk= 0, nxpk= 0, iat= 44, 75, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 4 LEU HA 7 ILE QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 105, 106, 107,
&end
#
# 4 LEU HB2 4 LEU QD1 3.28
&rst
ixpk= 0, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 51, 52, 53,
&end
#
# 4 LEU HB2 4 LEU QD2 3.20
&rst
ixpk= 0, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 55, 56, 57,
&end
#
# 4 LEU HB2 7 ILE QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 105, 106, 107,
&end
#
# 4 LEU HB3 4 LEU QD1 3.42
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 51, 52, 53,
&end
#
# 4 LEU HB3 4 LEU QD2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 55, 56, 57,
&end
#
# 4 LEU HB3 7 ILE QD1 5.09
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 105, 106, 107,
&end
#
# 4 LEU QD1 116 LEU QD2 2.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 51, 52, 53,
igr2=1720,1721,1722,
&end
#
# 4 LEU QD1 51 ASP HB3 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 51, 52, 53,
&end
#
# 4 LEU QD1 52 ALA QB 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 51, 52, 53,
igr2= 767, 768, 769,
&end
#
# 4 LEU QD2 117 LEU H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 55, 56, 57,
&end
#
# 4 LEU QD2 117 LEU HA 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 55, 56, 57,
&end
#
# 4 LEU QD2 5 THR H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 55, 56, 57,
&end
#
# 4 LEU QD2 7 ILE QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 55, 56, 57,
igr2= 105, 106, 107,
&end
#
# 5 THR H 51 ASP HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 61, 755, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 5 THR H 51 ASP HB3 4.23
&rst
ixpk= 0, nxpk= 0, iat= 61, 756, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 5 THR H 5 THR HB 3.33
&rst
ixpk= 0, nxpk= 0, iat= 61, 65, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 5 THR H 5 THR QG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 67, 68, 69,
&end
#
# 5 THR H 6 GLN H 3.12
&rst
ixpk= 0, nxpk= 0, iat= 61, 75, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 5 THR H 6 GLN HG3 5.12
&rst
ixpk= 0, nxpk= 0, iat= 61, 83, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 5 THR HA 29 LYS HD2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 63, 460, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 5 THR HA 29 LYS HD3 3.45
&rst
ixpk= 0, nxpk= 0, iat= 63, 461, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 5 THR HA 29 LYS HE3 4.47
&rst
ixpk= 0, nxpk= 0, iat= 63, 464, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 5 THR HA 29 LYS HG3 4.99
&rst
ixpk= 0, nxpk= 0, iat= 63, 458, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 5 THR HA 30 THR H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 63, 472, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 5 THR HA 5 THR HB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 63, 65, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 THR HA 5 THR QG2 3.13
&rst
ixpk= 0, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 67, 68, 69,
&end
#
# 5 THR HA 6 GLN H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 63, 75, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 5 THR HA 7 ILE QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 105, 106, 107,
&end
#
# 5 THR HB 29 LYS HD3 4.74
&rst
ixpk= 0, nxpk= 0, iat= 65, 461, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 5 THR HB 30 THR H 3.99
&rst
ixpk= 0, nxpk= 0, iat= 65, 472, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 5 THR HB 30 THR HB 4.16
&rst
ixpk= 0, nxpk= 0, iat= 65, 476, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 5 THR HB 30 THR QG2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 478, 479, 480,
&end
#
# 5 THR HB 6 GLN H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 65, 75, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 5 THR HB 6 GLN HE21 4.51
&rst
ixpk= 0, nxpk= 0, iat= 65, 88, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 5 THR QG2 30 THR H 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 67, 68, 69,
&end
#
# 5 THR QG2 30 THR HB 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 67, 68, 69,
&end
#
# 5 THR QG2 6 GLN H 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 75, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 67, 68, 69,
&end
#
# 5 THR QG2 6 GLN HE21 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 67, 68, 69,
&end
#
# 5 THR QG2 6 GLN HG3 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 67, 68, 69,
&end
#
# 6 GLN H 32 VAL QG1 4.74
&rst
ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 506, 507, 508,
&end
#
# 6 GLN H 51 ASP HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 75, 755, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 6 GLN H 51 ASP HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 75, 756, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 6 GLN H 6 GLN HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 75, 80, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 6 GLN H 6 GLN HE21 5.00
&rst
ixpk= 0, nxpk= 0, iat= 75, 88, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 GLN H 6 GLN HG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 75, 82, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 6 GLN H 6 GLN HG3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 75, 83, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 6 GLN H 7 ILE H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 75, 92, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 6 GLN H 7 ILE QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 105, 106, 107,
&end
#
# 6 GLN HA 29 LYS HE3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 77, 464, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 6 GLN HA 32 VAL QG1 3.58
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 506, 507, 508,
&end
#
# 6 GLN HA 32 VAL QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 510, 511, 512,
&end
#
# 6 GLN HA 6 GLN HG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 77, 82, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 6 GLN HA 6 GLN HG3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 77, 83, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 6 GLN HA 7 ILE H 3.08
&rst
ixpk= 0, nxpk= 0, iat= 77, 92, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 6 GLN HA 7 ILE HG12 4.24
&rst
ixpk= 0, nxpk= 0, iat= 77, 102, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 6 GLN HB2 32 VAL QG1 3.09
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 506, 507, 508,
&end
#
# 6 GLN HB2 32 VAL QG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 510, 511, 512,
&end
#
# 6 GLN HB2 51 ASP H 3.66
&rst
ixpk= 0, nxpk= 0, iat= 79, 751, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 6 GLN HB2 52 ALA H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 79, 763, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 6 GLN HB2 7 ILE H 4.46
&rst
ixpk= 0, nxpk= 0, iat= 79, 92, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 6 GLN HB3 32 VAL QG1 3.75
&rst
ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 506, 507, 508,
&end
#
# 6 GLN HB3 32 VAL QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 510, 511, 512,
&end
#
# 6 GLN HB3 50 ILE HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= 80, 734, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 6 GLN HB3 51 ASP H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 80, 751, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 6 GLN HB3 52 ALA H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 80, 763, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 6 GLN HB3 6 GLN HE21 5.18
&rst
ixpk= 0, nxpk= 0, iat= 80, 88, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 6 GLN HE21 32 VAL QG1 5.10
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 506, 507, 508,
&end
#
# 6 GLN HE22 30 THR HB 4.66
&rst
ixpk= 0, nxpk= 0, iat= 87, 476, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 6 GLN HE22 30 THR QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 478, 479, 480,
&end
#
# 6 GLN HE22 32 VAL QG1 5.14
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 506, 507, 508,
&end
#
# 6 GLN HG2 32 VAL QG1 4.74
&rst
ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 506, 507, 508,
&end
#
# 6 GLN HG3 30 THR HB 4.40
&rst
ixpk= 0, nxpk= 0, iat= 83, 476, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 6 GLN HG3 32 VAL QG1 4.40
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 506, 507, 508,
&end
#
# 7 ILE H 29 LYS HE3 4.69
&rst
ixpk= 0, nxpk= 0, iat= 92, 464, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 7 ILE H 30 THR H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 92, 472, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 7 ILE H 30 THR HB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 92, 476, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 7 ILE H 32 VAL QG1 4.28
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 506, 507, 508,
&end
#
# 7 ILE H 7 ILE HB 3.34
&rst
ixpk= 0, nxpk= 0, iat= 92, 96, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 7 ILE H 7 ILE HG12 3.81
&rst
ixpk= 0, nxpk= 0, iat= 92, 102, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 7 ILE H 7 ILE HG13 4.00
&rst
ixpk= 0, nxpk= 0, iat= 92, 103, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 7 ILE H 7 ILE QD1 3.91
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 105, 106, 107,
&end
#
# 7 ILE H 7 ILE QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 98, 99, 100,
&end
#
# 7 ILE HA 52 ALA H 3.72
&rst
ixpk= 0, nxpk= 0, iat= 94, 763, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 7 ILE HA 53 ALA QB 4.66
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 777, 778, 779,
&end
#
# 7 ILE HA 7 ILE QD1 3.05
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 105, 106, 107,
&end
#
# 7 ILE HA 7 ILE QG2 2.96
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 98, 99, 100,
&end
#
# 7 ILE HA 8 LEU H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 94, 111, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 7 ILE HB 7 ILE QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 105, 106, 107,
&end
#
# 7 ILE HG12 117 LEU QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1735,1736,1737,
&end
#
# 7 ILE HG12 30 THR H 5.35
&rst
ixpk= 0, nxpk= 0, iat= 102, 472, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 7 ILE HG13 29 LYS HD2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 103, 460, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 7 ILE QD1 116 LEU QD1 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 105, 106, 107,
igr2=1716,1717,1718,
&end
#
# 7 ILE QD1 116 LEU QD2 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 105, 106, 107,
igr2=1720,1721,1722,
&end
#
# 7 ILE QD1 117 LEU QD1 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 105, 106, 107,
igr2=1735,1736,1737,
&end
#
# 7 ILE QD1 29 LYS HD2 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 105, 106, 107,
&end
#
# 7 ILE QD1 32 VAL QG1 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 105, 106, 107,
igr2= 506, 507, 508,
&end
#
# 7 ILE QD1 50 ILE QG2 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 105, 106, 107,
igr2= 738, 739, 740,
&end
#
# 7 ILE QD1 51 ASP HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 105, 106, 107,
&end
#
# 7 ILE QD1 51 ASP HB3 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 105, 106, 107,
&end
#
# 7 ILE QD1 52 ALA H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 105, 106, 107,
&end
#
# 7 ILE QD1 52 ALA QB 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 105, 106, 107,
igr2= 767, 768, 769,
&end
#
# 7 ILE QD1 53 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 105, 106, 107,
igr2= 777, 778, 779,
&end
#
# 7 ILE QD1 8 LEU H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 105, 106, 107,
&end
#
# 7 ILE QG2 116 LEU QD1 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 98, 99, 100,
igr2=1716,1717,1718,
&end
#
# 7 ILE QG2 52 ALA H 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 53 ALA H 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 53 ALA HA 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 54 ILE H 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 54 ILE HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 54 ILE HG12 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 54 ILE HG13 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 7 ILE HG13 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 7 ILE QD1 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 98, 99, 100,
igr2= 105, 106, 107,
&end
#
# 7 ILE QG2 8 LEU H 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 9 ILE HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 9 ILE QD1 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 98, 99, 100,
igr2= 143, 144, 145,
&end
#
# 8 LEU H 50 ILE QG2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 738, 739, 740,
&end
#
# 8 LEU H 51 ASP H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 111, 751, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 8 LEU H 52 ALA H 4.26
&rst
ixpk= 0, nxpk= 0, iat= 111, 763, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 8 LEU H 53 ALA HA 3.47
&rst
ixpk= 0, nxpk= 0, iat= 111, 775, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 8 LEU H 53 ALA QB 4.29
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 777, 778, 779,
&end
#
# 8 LEU H 54 ILE H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 111, 783, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 8 LEU H 8 LEU HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 111, 115, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 8 LEU H 8 LEU HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 111, 116, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 8 LEU H 8 LEU HG 5.03
&rst
ixpk= 0, nxpk= 0, iat= 111, 118, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 8 LEU HA 32 VAL QG2 3.27
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 510, 511, 512,
&end
#
# 8 LEU HA 33 GLY H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 113, 516, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 8 LEU HA 50 ILE QG2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 738, 739, 740,
&end
#
# 8 LEU HA 8 LEU HG 4.07
&rst
ixpk= 0, nxpk= 0, iat= 113, 118, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 8 LEU HA 8 LEU QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 120, 121, 122,
&end
#
# 8 LEU HA 8 LEU QD2 3.17
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 124, 125, 126,
&end
#
# 8 LEU HA 9 ILE H 2.95
&rst
ixpk= 0, nxpk= 0, iat= 113, 130, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 8 LEU HA 9 ILE HB 4.62
&rst
ixpk= 0, nxpk= 0, iat= 113, 134, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 8 LEU HB2 32 VAL QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 510, 511, 512,
&end
#
# 8 LEU HB2 35 VAL QG2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 547, 548, 549,
&end
#
# 8 LEU HB2 53 ALA HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= 115, 775, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 8 LEU HB2 53 ALA QB 3.62
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 777, 778, 779,
&end
#
# 8 LEU HB2 8 LEU QD1 3.40
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 120, 121, 122,
&end
#
# 8 LEU HB2 8 LEU QD2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 124, 125, 126,
&end
#
# 8 LEU HB3 32 VAL QG2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 510, 511, 512,
&end
#
# 8 LEU HB3 50 ILE QD1 3.99
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 745, 746, 747,
&end
#
# 8 LEU HB3 50 ILE QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 738, 739, 740,
&end
#
# 8 LEU HB3 53 ALA QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 777, 778, 779,
&end
#
# 8 LEU HB3 8 LEU QD1 3.45
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 120, 121, 122,
&end
#
# 8 LEU HB3 8 LEU QD2 3.46
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 124, 125, 126,
&end
#
# 8 LEU HG 53 ALA QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 777, 778, 779,
&end
#
# 8 LEU HG 9 ILE H 3.82
&rst
ixpk= 0, nxpk= 0, iat= 118, 130, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 8 LEU QD1 35 VAL QG1 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 120, 121, 122,
igr2= 543, 544, 545,
&end
#
# 8 LEU QD1 41 ALA HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 120, 121, 122,
&end
#
# 8 LEU QD1 45 VAL HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 120, 121, 122,
&end
#
# 8 LEU QD1 50 ILE QD1 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 120, 121, 122,
igr2= 745, 746, 747,
&end
#
# 8 LEU QD1 53 ALA QB 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 120, 121, 122,
igr2= 777, 778, 779,
&end
#
# 8 LEU QD2 33 GLY H 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 124, 125, 126,
&end
#
# 8 LEU QD2 33 GLY HA3 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 124, 125, 126,
&end
#
# 8 LEU QD2 34 THR HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 124, 125, 126,
&end
#
# 8 LEU QD2 34 THR QG2 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 124, 125, 126,
igr2= 529, 530, 531,
&end
#
# 8 LEU QD2 35 VAL QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 124, 125, 126,
igr2= 547, 548, 549,
&end
#
# 8 LEU QD2 41 ALA HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 124, 125, 126,
&end
#
# 8 LEU QD2 9 ILE H 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 124, 125, 126,
&end
#
# 9 ILE H 33 GLY H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 130, 516, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 9 ILE H 34 THR HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= 130, 525, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 9 ILE H 35 VAL H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 130, 537, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 9 ILE H 54 ILE H 4.80
&rst
ixpk= 0, nxpk= 0, iat= 130, 783, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 9 ILE H 9 ILE HB 3.37
&rst
ixpk= 0, nxpk= 0, iat= 130, 134, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 9 ILE H 9 ILE HG12 4.15
&rst
ixpk= 0, nxpk= 0, iat= 130, 140, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 9 ILE H 9 ILE HG13 4.88
&rst
ixpk= 0, nxpk= 0, iat= 130, 141, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 9 ILE H 9 ILE QD1 3.66
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 143, 144, 145,
&end
#
# 9 ILE HA 10 VAL H 3.48
&rst
ixpk= 0, nxpk= 0, iat= 132, 149, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 9 ILE HA 34 THR QG2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 529, 530, 531,
&end
#
# 9 ILE HA 54 ILE H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 132, 783, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 9 ILE HA 54 ILE HB 4.23
&rst
ixpk= 0, nxpk= 0, iat= 132, 787, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 9 ILE HA 9 ILE HG12 4.08
&rst
ixpk= 0, nxpk= 0, iat= 132, 140, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 9 ILE HA 9 ILE QD1 4.35
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 143, 144, 145,
&end
#
# 9 ILE HA 9 ILE QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 136, 137, 138,
&end
#
# 9 ILE HB 34 THR HA 3.31
&rst
ixpk= 0, nxpk= 0, iat= 134, 525, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 9 ILE HB 34 THR HB 4.43
&rst
ixpk= 0, nxpk= 0, iat= 134, 527, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 9 ILE HB 34 THR QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 529, 530, 531,
&end
#
# 9 ILE HB 35 VAL H 4.52
&rst
ixpk= 0, nxpk= 0, iat= 134, 537, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 9 ILE HB 9 ILE QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 143, 144, 145,
&end
#
# 9 ILE QD1 20 LEU HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 20 LEU QD1 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 143, 144, 145,
igr2= 312, 313, 314,
&end
#
# 9 ILE QD1 21 GLU H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 21 GLU HA 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 21 GLU HG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 21 GLU HG3 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 24 LEU H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 24 LEU QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 143, 144, 145,
igr2= 378, 379, 380,
&end
#
# 9 ILE QD1 34 THR HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 34 THR QG2 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 143, 144, 145,
igr2= 529, 530, 531,
&end
#
# 9 ILE QG2 10 VAL H 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 10 VAL HA 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 11 GLU H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 17 ALA HA 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 17 ALA QB 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 136, 137, 138,
igr2= 263, 264, 265,
&end
#
# 9 ILE QG2 20 LEU QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 136, 137, 138,
igr2= 312, 313, 314,
&end
#
# 9 ILE QG2 21 GLU HG2 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 34 THR HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 34 THR HB 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 34 THR QG2 2.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 136, 137, 138,
igr2= 529, 530, 531,
&end
#
# 9 ILE QG2 35 VAL H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 54 ILE QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 136, 137, 138,
igr2= 789, 790, 791,
&end
#
# 9 ILE QG2 9 ILE HG12 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 9 ILE HG13 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 136, 137, 138,
&end
#
# 10 VAL H 10 VAL HB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 149, 153, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 10 VAL H 10 VAL QG1 4.67
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 155, 156, 157,
&end
#
# 10 VAL H 10 VAL QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 159, 160, 161,
&end
#
# 10 VAL H 54 ILE HB 4.55
&rst
ixpk= 0, nxpk= 0, iat= 149, 787, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 10 VAL H 54 ILE QG2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 789, 790, 791,
&end
#
# 10 VAL HA 10 VAL QG1 3.44
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 155, 156, 157,
&end
#
# 10 VAL HA 10 VAL QG2 3.46
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 159, 160, 161,
&end
#
# 10 VAL HA 11 GLU H 3.16
&rst
ixpk= 0, nxpk= 0, iat= 151, 165, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 10 VAL HA 34 THR HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= 151, 525, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 10 VAL HA 35 VAL H 3.83
&rst
ixpk= 0, nxpk= 0, iat= 151, 537, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 10 VAL HA 35 VAL QG2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 547, 548, 549,
&end
#
# 10 VAL HB 55 LEU HA 3.79
&rst
ixpk= 0, nxpk= 0, iat= 153, 804, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 10 VAL HB 55 LEU QD2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 815, 816, 817,
&end
#
# 10 VAL HB 56 ASP H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 153, 821, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 10 VAL QG1 11 GLU H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 155, 156, 157,
&end
#
# 10 VAL QG1 35 VAL QG2 2.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 155, 156, 157,
igr2= 547, 548, 549,
&end
#
# 10 VAL QG1 41 ALA QB 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 155, 156, 157,
igr2= 616, 617, 618,
&end
#
# 10 VAL QG1 55 LEU HA 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 155, 156, 157,
&end
#
# 10 VAL QG1 55 LEU QD1 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 155, 156, 157,
igr2= 811, 812, 813,
&end
#
# 10 VAL QG1 55 LEU QD2 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 155, 156, 157,
igr2= 815, 816, 817,
&end
#
# 10 VAL QG2 11 GLU H 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 159, 160, 161,
&end
#
# 10 VAL QG2 35 VAL H 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 159, 160, 161,
&end
#
# 10 VAL QG2 35 VAL HB 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 159, 160, 161,
&end
#
# 10 VAL QG2 35 VAL QG2 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 159, 160, 161,
igr2= 547, 548, 549,
&end
#
# 10 VAL QG2 55 LEU HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 159, 160, 161,
&end
#
# 10 VAL QG2 55 LEU QD2 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 159, 160, 161,
igr2= 815, 816, 817,
&end
#
# 11 GLU H 12 ASP H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 165, 180, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 MET QE 23 PHE QD 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
rk2=20, rk3=20, ir6=1, ialtd=0,
igr1= 297, 298, 299,
igr2= 357, 365,
&end
#
# 20 LEU HA 23 PHE QD 3.55
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 357, 365,
&end
#
# 20 LEU QD1 23 PHE QD 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 312, 313, 314,
igr2= 357, 365,
&end
#
# 20 LEU QD2 23 PHE QD 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 316, 317, 318,
igr2= 357, 365,
&end
#
# 23 PHE H 23 PHE QD 4.01
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 357, 365,
&end
#
# 23 PHE HA 23 PHE QD 2.98
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 357, 365,
&end
#
# 23 PHE QD 106 MET HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 357, 365,
&end
#
# 23 PHE QD 106 MET QE 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 357, 365,
igr2=1585,1586,1587,
&end
#
# 23 PHE QD 109 VAL QG1 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 357, 365,
igr2=1616,1617,1618,
&end
#
# 23 PHE QD 109 VAL QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 357, 365,
igr2=1620,1621,1622,
&end
#
# 23 PHE QD 23 PHE HZ 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 357, 365,
&end
#
# 23 PHE QD 24 LEU H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 357, 365,
&end
#
# 23 PHE QD 26 VAL HB 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 357, 365,
&end
#
# 23 PHE QD 26 VAL QG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 357, 365,
igr2= 413, 414, 415,
&end
#
# 23 PHE QE 105 THR HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 359, 363,
&end
#
# 23 PHE QE 106 MET HA 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 359, 363,
&end
#
# 23 PHE QE 106 MET QE 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 359, 363,
igr2=1585,1586,1587,
&end
#
# 23 PHE QE 109 VAL QG1 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 359, 363,
igr2=1616,1617,1618,
&end
#
# 23 PHE HZ 105 THR HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= 361,1562, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 23 PHE HZ 106 MET QE 4.29
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1585,1586,1587,
&end
#
# 23 PHE QD 23 PHE HZ 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 357, 365,
&end
#
# 73 ALA QB 79 PHE QD 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1070,1071,1072,
igr2=1163,1171,
&end
#
# 79 PHE QD 81 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1163,1171,
&end
#
# 79 PHE QD 69 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1163,1171,
igr2=1016,1017,1018,
&end
#
# 79 PHE QD 73 ALA QB 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1163,1171,
igr2=1070,1071,1072,
&end
#
# 69 ALA QB 79 PHE QE 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1016,1017,1018,
igr2=1165,1169,
&end
#
# 70 GLU HA 79 PHE QE 3.35
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1165,1169,
&end
#
# 70 GLU HG3 79 PHE QE 4.29
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1165,1169,
&end
#
# 73 ALA QB 79 PHE QE 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1070,1071,1072,
igr2=1165,1169,
&end
#
# 79 PHE QE 70 GLU HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1165,1169,
&end
#
# 79 PHE QE 69 ALA QB 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1165,1169,
igr2=1016,1017,1018,
&end
#
# 79 PHE QE 73 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1165,1169,
igr2=1070,1071,1072,
&end
#
# 79 PHE HZ 69 ALA QB 3.00
&rst
ixpk= 0, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1016,1017,1018,
&end
#
# 79 PHE HZ 73 ALA QB 3.80
&rst
ixpk= 0, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1070,1071,1072,
&end
#
# 81 PHE H 81 PHE QD 4.34
&rst
ixpk= 0, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1199,1207,
&end
#
# 81 PHE HA 81 PHE QD 3.68
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1199,1207,
&end
#
# 81 PHE QD 82 ALA H 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1199,1207,
&end
#
# 81 PHE QD 90 VAL QG1 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1199,1207,
igr2=1301,1302,1303,
&end
#
# 81 PHE QD 99 VAL QG1 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1199,1207,
igr2=1458,1459,1460,
&end
#
# 81 PHE QD 55 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1199,1207,
&end
#
# 81 PHE QD 69 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1199,1207,
igr2=1016,1017,1018,
&end
#
# 81 PHE QD 57 VAL QG1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1199,1207,
igr2= 839, 840, 841,
&end
#
# 81 PHE QD 66 THR QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1199,1207,
igr2= 974, 975, 976,
&end
#
# 69 ALA QB 81 PHE QE 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1016,1017,1018,
igr2=1201,1205,
&end
#
# 81 PHE QE 94 PHE HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1201,1205,
&end
#
# 81 PHE QE 94 PHE HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1201,1205,
&end
#
# 81 PHE QE 55 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1201,1205,
&end
#
# 81 PHE QE 55 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1201,1205,
&end
#
# 81 PHE QE 93 ARG HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1201,1205,
&end
#
# 81 PHE QE 70 GLU HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1201,1205,
&end
#
# 81 PHE QE 70 GLU HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1201,1205,
&end
#
# 69 ALA QB 81 PHE HZ 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1016,1017,1018,
&end
#
# 66 THR QG2 81 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 974, 975, 976,
&end
#
# 90 VAL QG1 94 PHE QD 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1301,1302,1303,
igr2=1366,1374,
&end
#
# 94 PHE H 94 PHE QD 4.47
&rst
ixpk= 0, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1366,1374,
&end
#
# 94 PHE HA 94 PHE QD 3.73
&rst
ixpk= 0, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1366,1374,
&end
#
# 94 PHE QD 95 ARG QG 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1366,1374,
igr2=1385,1386,
&end
#
# 94 PHE QD 99 VAL QG1 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1366,1374,
igr2=1458,1459,1460,
&end
#
# 94 PHE QD 93 ARG QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1366,1374,
igr2=1341,1342,
&end
#
# 90 VAL QG1 94 PHE QE 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1301,1302,1303,
igr2=1368,1372,
&end
#
# 90 VAL QG1 94 PHE HZ 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1301,1302,1303,
&end
#
# 94 PHE HZ 81 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat=1370,1203, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 PHE H 104 PHE QD 4.61
&rst
ixpk= 0, nxpk= 0, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1548,1556,
&end
#
# 104 PHE HA 104 PHE QD 3.68
&rst
ixpk= 0, nxpk= 0, iat=1542, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1548,1556,
&end
#
# 104 PHE QD 105 THR H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1548,1556,
&end
#
# 104 PHE QD 109 VAL H 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1548,1556,
&end
#
# 104 PHE QD 109 VAL QG1 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1548,1556,
igr2=1616,1617,1618,
&end
#
# 104 PHE QD 100 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1548,1556,
igr2=1477,1478,1479,
&end
#
# 104 PHE QD 100 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1548,1556,
igr2=1481,1482,1483,
&end
#
# 104 PHE QD 20 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1548,1556,
&end
#
# 104 PHE QD 23 PHE H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1548,1556,
&end
#
# 100 LEU QD2 104 PHE QE 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1481,1482,1483,
igr2=1550,1554,
&end
#
# 100 LEU QD1 104 PHE QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1477,1478,1479,
igr2=1550,1554,
&end
#
# 104 PHE QE 20 LEU HG 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1550,1554,
&end
#
# 104 PHE QE 16 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1550,1554,
igr2= 246, 247, 248,
&end
#
# 104 PHE QE 102 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1506, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1550,1554,
&end
#
# 104 PHE HZ 20 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 312, 313, 314,
&end
#
# 104 PHE HZ 16 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 246, 247, 248,
&end
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