NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
632910 |
6mi5   |
30515 | cing | 1-original | 2 | AMBER | distance | NOE | simple |
# 113 ARG HA 113 ARG HN 3.663
&rst
ixpk= 0, nxpk= 0, iat=1642,1640, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
/
#
# 113 ARG HA 113 ARG HB3 3.1189999999999998
&rst
ixpk= 0, nxpk= 0, iat=1642,1645, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, /
#
# 113 ARG HA 112 ILE HG1* 4.489
&rst
ixpk= 0, nxpk= 0, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1631,1632,
/
#
# 113 ARG HA 112 ILE HN 5.099
&rst
ixpk= 0, nxpk= 0, iat=1642,1621, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, /
#
# 8 LYS HA 9 VAL HB 4.665
&rst
ixpk= 0, nxpk= 0, iat= 103, 127, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, /
#
# 8 LYS HA 8 LYS HB2 2.869
&rst
ixpk= 0, nxpk= 0, iat= 103, 105, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, /
#
# 8 LYS HA 8 LYS HG2 3.4219999999999997
&rst
ixpk= 0, nxpk= 0, iat= 103, 108, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, /
#
# 21 THR HN 21 THR HB 4.607
&rst
ixpk= 0, nxpk= 0, iat= 289, 293, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, /
#
# 9 VAL HN 8 LYS HA 2.734
&rst
ixpk= 0, nxpk= 0, iat= 123, 103, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, /
#
# 9 VAL HA 9 VAL HB 3.156
&rst
ixpk= 0, nxpk= 0, iat= 125, 127, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, /
#
# 9 VAL HA 8 LYS HG2 4.854
&rst
ixpk= 0, nxpk= 0, iat= 125, 108, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, /
#
# 70 THR HN 71 LEU HA 5.373
# &rst
# ixpk= 0, nxpk= 0, iat=1010,1026, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, /
#
# 10 ASP HN 9 VAL HA 2.939
&rst
ixpk= 0, nxpk= 0, iat= 139, 125, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, /
#
# 70 THR HN 70 THR HB 4.782
&rst
ixpk= 0, nxpk= 0, iat=1010,1014, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, /
#
# 70 THR HN 69 GLY HA* 4.071
&rst
ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1005,1006,
/
#
# 11 ILE HN 11 ILE HA 3.425
&rst
ixpk= 0, nxpk= 0, iat= 151, 153, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, /
#
# 12 ALA HN 11 ILE HA 4.088
&rst
ixpk= 0, nxpk= 0, iat= 170, 153, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, /
#
# 11 ILE HA 14 PHE HN 4.601
&rst
ixpk= 0, nxpk= 0, iat= 153, 190, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, /
#
# 11 ILE HA 13 ALA HN 4.889
&rst
ixpk= 0, nxpk= 0, iat= 153, 180, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, /
#
# 70 THR HN 69 GLY HN 3.263
&rst
ixpk= 0, nxpk= 0, iat=1010,1003, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, /
#
# 11 ILE HA 10 ASP HA 4.721
&rst
ixpk= 0, nxpk= 0, iat= 153, 141, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, /
#
# 11 ILE HA 14 PHE HB* 4.455
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 194, 195,
/
#
# 11 ILE HA 11 ILE HB 2.9880000000000004
&rst
ixpk= 0, nxpk= 0, iat= 153, 155, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, /
#
# 11 ILE HA 11 ILE HG1* 3.162
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 161, 162,
/
#
# 11 ILE HA 11 ILE HG1* 3.589
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 161, 162,
/
#
# 45 THR HN 44 GLY HN 3.3970000000000002
&rst
ixpk= 0, nxpk= 0, iat= 629, 622, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, /
#
# 12 ALA HB* 15 ASP HN 5.063
&rst
ixpk= 0, nxpk= 0, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 174, 175, 176,
/
#
# 13 ALA HB* 12 ALA HN 4.882
&rst
ixpk= 0, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 184, 185, 186,
/
#
# 13 ALA HN 13 ALA HB* 2.803
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 184, 185, 186,
/
#
# 13 ALA HB* 14 PHE HE2 3.989
&rst
ixpk= 0, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 184, 185, 186,
/
#
# 13 ALA HB* 15 ASP HN 4.757
&rst
ixpk= 0, nxpk= 0, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 184, 185, 186,
/
#
# 13 ALA HB* 14 PHE HA 5.215
&rst
ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 184, 185, 186,
/
#
# 13 ALA HB* 9 VAL HA 4.8469999999999995
&rst
ixpk= 0, nxpk= 0, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 184, 185, 186,
/
#
# 112 ILE HN 112 ILE HD1* 4.4559999999999995
&rst
ixpk= 0, nxpk= 0, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1634,1635,1636,
/
#
# 112 ILE HN 113 ARG HN 3.7
&rst
ixpk= 0, nxpk= 0, iat=1621,1640, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, /
#
# 105 GLY HN 105 GLY HA* 3.262
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1527,1528,
/
#
# 13 ALA HB* 10 ASP HB3 5.063
&rst
ixpk= 0, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 8.08, r4= 9.58,
igr1= 184, 185, 186,
/
#
# 13 ALA HN 13 ALA HA 3.178
&rst
ixpk= 0, nxpk= 0, iat= 180, 182, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, /
#
# 15 ASP HN 13 ALA HA 4.7379999999999995
&rst
ixpk= 0, nxpk= 0, iat= 210, 182, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, /
#
# 13 ALA HA 14 PHE HA 5.165
&rst
ixpk= 0, nxpk= 0, iat= 182, 192, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, /
#
# 13 ALA HA 12 ALA HB* 4.134
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 174, 175, 176,
/
#
# 66 ASP HN 67 ASN HN 3.2849999999999997
&rst
ixpk= 0, nxpk= 0, iat= 965, 977, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, /
#
# 64 ASP HN 64 ASP HA 3.716
&rst
ixpk= 0, nxpk= 0, iat= 939, 941, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, /
#
# 64 ASP HA 65 PRO HD3 2.8890000000000002
&rst
ixpk= 0, nxpk= 0, iat= 941, 953, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, /
#
# 64 ASP HA 65 PRO HD2 3.104
&rst
ixpk= 0, nxpk= 0, iat= 941, 952, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, /
#
# 64 ASP HA 75 GLU HG3 4.801
&rst
ixpk= 0, nxpk= 0, iat= 941,1107, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, /
#
# 64 ASP HA 64 ASP HB3 3.444
&rst
ixpk= 0, nxpk= 0, iat= 941, 944, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, /
#
# 64 ASP HA 64 ASP HB2 2.996
&rst
ixpk= 0, nxpk= 0, iat= 941, 943, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 17 ASP HN 18 LYS HG2 5.0329999999999995
&rst
ixpk= 0, nxpk= 0, iat= 236, 255, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, /
#
# 101 ALA HA 100 LEU HB3 5.226
&rst
ixpk= 0, nxpk= 0, iat=1482,1466, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, /
#
# 101 ALA HA 100 LEU HG 4.48
&rst
ixpk= 0, nxpk= 0, iat=1482,1468, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, /
#
# 101 ALA HA 100 LEU HN 5.0200000000000005
&rst
ixpk= 0, nxpk= 0, iat=1482,1461, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, /
#
# 101 ALA HA 102 SER HN 3.8739999999999997
&rst
ixpk= 0, nxpk= 0, iat=1482,1490, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, /
#
# 101 ALA HN 101 ALA HA 3.2390000000000003
&rst
ixpk= 0, nxpk= 0, iat=1480,1482, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, /
#
# 15 ASP HN 14 PHE HA 3.8710000000000004
&rst
ixpk= 0, nxpk= 0, iat= 210, 192, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, /
#
# 14 PHE HN 14 PHE HA 3.554
&rst
ixpk= 0, nxpk= 0, iat= 190, 192, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, /
#
# 111 LEU HN 111 LEU HB2 3.573
&rst
ixpk= 0, nxpk= 0, iat=1602,1606, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, /
#
# 41 ASP HN 41 ASP HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 576, 580, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, /
#
# 14 PHE HB* 14 PHE HB* 2.892
#This appears to be self-referential: ignoring
#
# 14 PHE HB* 30 ALA HB* 5.175
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 194, 195,
igr2= 433, 434, 435,
/
#
# 18 LYS HN 20 GLY HN 5.938
&rst
ixpk= 0, nxpk= 0, iat= 248, 282, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, /
#
# 14 PHE HB* 112 ILE HD1* 4.934
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 194, 195,
igr2=1634,1635,1636,
/
#
# 18 LYS HN 18 LYS HB2 3.716
&rst
ixpk= 0, nxpk= 0, iat= 248, 252, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, /
#
# 14 PHE HB* 15 ASP HA 4.139
&rst
ixpk= 0, nxpk= 0, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 194, 195,
/
#
# 14 PHE HN 15 ASP HN 3.144
&rst
ixpk= 0, nxpk= 0, iat= 190, 210, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, /
#
# 11 ILE HB 11 ILE HG1* 3.277
&rst
ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 161, 162,
/
#
# 11 ILE HB 11 ILE HG1* 3.628
&rst
ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 161, 162,
/
#
# 11 ILE HB 10 ASP HA 4.7379999999999995
&rst
ixpk= 0, nxpk= 0, iat= 155, 141, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, /
#
# 11 ILE HN 11 ILE HB 3.15
&rst
ixpk= 0, nxpk= 0, iat= 151, 155, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, /
#
# 12 ALA HN 11 ILE HB 4.066000000000001
&rst
ixpk= 0, nxpk= 0, iat= 170, 155, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, /
#
# 40 PRO HA 39 ASP HN 5.184
&rst
ixpk= 0, nxpk= 0, iat= 572, 550, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, /
#
# 16 PRO HA 15 ASP HA 5.029
&rst
ixpk= 0, nxpk= 0, iat= 232, 212, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, /
#
# 16 PRO HA 16 PRO HG2 2.566
&rst
ixpk= 0, nxpk= 0, iat= 232, 226, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, /
#
# 61 LYS HN 61 LYS HB2 2.6470000000000002
&rst
ixpk= 0, nxpk= 0, iat= 876, 880, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, /
#
# 88 ASN HN 88 ASN HB2 3.689
&rst
ixpk= 0, nxpk= 0, iat=1294,1298, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, /
#
# 15 ASP HB3 12 ALA HA 3.858
&rst
ixpk= 0, nxpk= 0, iat= 215, 172, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, /
#
# 88 ASN HN 95 ILE HD1* 4.808
&rst
ixpk= 0, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1394,1395,1396,
/
#
# 88 ASN HN 88 ASN HB3 3.54
&rst
ixpk= 0, nxpk= 0, iat=1294,1299, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, /
#
# 88 ASN HN 87 ALA HA 3.52
&rst
ixpk= 0, nxpk= 0, iat=1294,1286, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, /
#
# 15 ASP HB2 12 ALA HA 4.144
&rst
ixpk= 0, nxpk= 0, iat= 214, 172, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, /
#
# 15 ASP HB3 11 ILE HG2* 4.543
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 157, 158, 159,
/
#
# 15 ASP HN 15 ASP HB3 3.262
&rst
ixpk= 0, nxpk= 0, iat= 210, 215, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, /
#
# 15 ASP HN 15 ASP HB2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 210, 214, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, /
#
# 15 ASP HN 14 PHE HB* 4.245
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 194, 195,
/
#
# 66 ASP HB3 66 ASP HB2 2.63
&rst
ixpk= 0, nxpk= 0, iat= 970, 969, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, /
#
# 17 ASP HB3 17 ASP HA 3.29
&rst
ixpk= 0, nxpk= 0, iat= 241, 238, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, /
#
# 36 ASP HN 37 LYS HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 497, 513, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, /
#
# 11 ILE HD1* 15 ASP HB3 4.563
&rst
ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 164, 165, 166,
/
#
# 36 ASP HN 38 LEU HB2 5.201
&rst
ixpk= 0, nxpk= 0, iat= 497, 535, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, /
#
# 36 ASP HN 36 ASP HB3 2.856
&rst
ixpk= 0, nxpk= 0, iat= 497, 502, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, /
#
# 36 ASP HN 35 PHE HB* 3.215
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 481, 482,
/
#
# 11 ILE HD1* 96 ASP HB3 5.0200000000000005
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 164, 165, 166,
/
#
# 36 ASP HN 35 PHE HN 3.818
&rst
ixpk= 0, nxpk= 0, iat= 497, 477, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, /
#
# 11 ILE HD1* 11 ILE HG1* 2.878
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 164, 165, 166,
igr2= 161, 162,
/
#
# 11 ILE HD1* 22 ILE HG1* 3.114
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 164, 165, 166,
igr2= 313, 314,
/
#
# 110 ASN HN 107 ALA HB* 4.672000000000001
&rst
ixpk= 0, nxpk= 0, iat=1588, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1547,1548,1549,
/
#
# 11 ILE HD1* 22 ILE HN 4.081
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 164, 165, 166,
/
#
# 110 ASN HN 109 VAL HB 3.423
&rst
ixpk= 0, nxpk= 0, iat=1588,1576, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, /
#
# 11 ILE HD1* 97 ALA HN 3.8840000000000003
&rst
ixpk= 0, nxpk= 0, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 164, 165, 166,
/
#
# 55 VAL HG1* 62 LYS HE2 4.572
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 799, 800, 801,
/
#
# 11 ILE HG1* 11 ILE HN 4.875
&rst
ixpk= 0, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 161, 162,
/
#
# 110 ASN HN 109 VAL HN 3.79
&rst
ixpk= 0, nxpk= 0, iat=1588,1572, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, /
#
# 42 LYS HN 42 LYS HA 2.909
&rst
ixpk= 0, nxpk= 0, iat= 588, 590, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, /
#
# 11 ILE HG1* 27 ALA HA 4.821
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 161, 162,
/
#
# 42 LYS HN 42 LYS HG2 3.5180000000000002
&rst
ixpk= 0, nxpk= 0, iat= 588, 595, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, /
#
# 67 ASN HN 69 GLY HN 5.158
&rst
ixpk= 0, nxpk= 0, iat= 977,1003, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, /
#
# 11 ILE HG2* 11 ILE HB 2.725
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr1= 157, 158, 159,
/
#
# 67 ASN HN 67 ASN HA 2.828
&rst
ixpk= 0, nxpk= 0, iat= 977, 979, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, /
#
# 67 ASN HN 67 ASN HB3 4.038
&rst
ixpk= 0, nxpk= 0, iat= 977, 982, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, /
#
# 11 ILE HG2* 11 ILE HA 3.2460000000000004
&rst
ixpk= 0, nxpk= 0, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 157, 158, 159,
/
#
# 68 ASP HN 67 ASN HA 3.635
&rst
ixpk= 0, nxpk= 0, iat= 991, 979, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, /
#
# 68 ASP HN 68 ASP HB3 4.134
&rst
ixpk= 0, nxpk= 0, iat= 991, 996, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, /
#
# 11 ILE HG2* 10 ASP HA 4.502000000000001
&rst
ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 157, 158, 159,
/
#
# 68 ASP HN 68 ASP HB2 4.032
&rst
ixpk= 0, nxpk= 0, iat= 991, 995, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, /
#
# 11 ILE HN 11 ILE HG2* 3.34
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 157, 158, 159,
/
#
# 12 ALA HN 11 ILE HG2* 3.432
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 157, 158, 159,
/
#
# 11 ILE HG2* 14 PHE HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 157, 158, 159,
/
#
# 11 ILE HG2* 13 ALA HN 5.236
&rst
ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 157, 158, 159,
/
#
# 43 ASP HN 42 LYS HB2 4.372
&rst
ixpk= 0, nxpk= 0, iat= 610, 592, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, /
#
# 11 ILE HG2* 15 ASP HN 4.889
&rst
ixpk= 0, nxpk= 0, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 157, 158, 159,
/
#
# 11 ILE HG2* 112 ILE HD1* 3.6260000000000003
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 157, 158, 159,
igr2=1634,1635,1636,
/
#
# 11 ILE HG2* 97 ALA HA 4.169
&rst
ixpk= 0, nxpk= 0, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 157, 158, 159,
/
#
# 22 ILE HA 23 ASP HB2 3.901
&rst
ixpk= 0, nxpk= 0, iat= 305, 326, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, /
#
# 22 ILE HA 26 GLU HB3 4.27
&rst
ixpk= 0, nxpk= 0, iat= 305, 380, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, /
#
# 22 ILE HA 22 ILE HB 3.7960000000000003
&rst
ixpk= 0, nxpk= 0, iat= 305, 307, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, /
#
# 22 ILE HA 22 ILE HG2* 3.787
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 309, 310, 311,
/
#
# 22 ILE HA 25 LYS HG2 4.941
&rst
ixpk= 0, nxpk= 0, iat= 305, 360, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, /
#
# 22 ILE HA 22 ILE HG1* 3.114
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 313, 314,
/
#
# 51 LEU HN 50 GLU HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 721, 711, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, /
#
# 22 ILE HA 22 ILE HD1* 3.835
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 316, 317, 318,
/
#
# 22 ILE HN 22 ILE HA 2.839
&rst
ixpk= 0, nxpk= 0, iat= 303, 305, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, /
#
# 22 ILE HA 26 GLU HN 5.146
&rst
ixpk= 0, nxpk= 0, iat= 305, 375, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, /
#
# 102 SER HN 102 SER HB* 4.568
&rst
ixpk= 0, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1494,1495,
/
#
# 22 ILE HN 22 ILE HB 3.716
&rst
ixpk= 0, nxpk= 0, iat= 303, 307, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, /
#
# 22 ILE HB 84 PHE HE2 4.795
&rst
ixpk= 0, nxpk= 0, iat= 307,1246, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, /
#
# 22 ILE HG1* 15 ASP HN 4.123
&rst
ixpk= 0, nxpk= 0, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 313, 314,
/
#
# 22 ILE HG1* 26 GLU HN 4.484999999999999
&rst
ixpk= 0, nxpk= 0, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 313, 314,
/
#
# 22 ILE HG1* 27 ALA HN 3.559
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 313, 314,
/
#
# 39 ASP HN 38 LEU HN 3.508
&rst
ixpk= 0, nxpk= 0, iat= 550, 531, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, /
#
# 39 ASP HN 39 ASP HB3 3.3609999999999998
&rst
ixpk= 0, nxpk= 0, iat= 550, 555, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, /
#
# 39 ASP HN 39 ASP HB2 3.421
&rst
ixpk= 0, nxpk= 0, iat= 550, 554, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, /
#
# 24 LEU HG 28 LEU HN 5.184
&rst
ixpk= 0, nxpk= 0, iat= 341, 400, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, /
#
# 24 LEU HG 25 LYS HN 5.226
&rst
ixpk= 0, nxpk= 0, iat= 341, 353, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, /
#
# 95 ILE HN 94 THR HB 3.45
&rst
ixpk= 0, nxpk= 0, iat=1381,1371, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, /
#
# 22 ILE HN 21 THR HB 3.293
&rst
ixpk= 0, nxpk= 0, iat= 303, 293, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, /
#
# 21 THR HB 22 ILE HB 4.861
&rst
ixpk= 0, nxpk= 0, iat= 293, 307, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, /
#
# 94 THR HB 95 ILE HB 4.548
&rst
ixpk= 0, nxpk= 0, iat=1371,1385, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, /
#
# 10 ASP HB3 11 ILE HG2* 4.502000000000001
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 157, 158, 159,
/
#
# 64 ASP HN 63 LEU HN 3.347
&rst
ixpk= 0, nxpk= 0, iat= 939, 920, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, /
#
# 62 LYS HN 62 LYS HB2 2.6710000000000003
&rst
ixpk= 0, nxpk= 0, iat= 898, 902, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, /
#
# 10 ASP HB3 12 ALA HB* 3.915
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 174, 175, 176,
/
#
# 10 ASP HB3 11 ILE HG2* 4.471
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 157, 158, 159,
/
#
# 10 ASP HB3 100 LEU HG 4.107
&rst
ixpk= 0, nxpk= 0, iat= 144,1468, r1= 1.30, r2= 1.80, r3= 5.11, r4= 6.61, /
#
# 23 ASP HA 24 LEU HB3 4.577
&rst
ixpk= 0, nxpk= 0, iat= 324, 339, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, /
#
# 87 ALA HN 87 ALA HB* 2.9560000000000004
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1288,1289,1290,
/
#
# 23 ASP HA 24 LEU HB2 4.612
&rst
ixpk= 0, nxpk= 0, iat= 324, 338, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, /
#
# 23 ASP HA 94 THR HB 4.41
&rst
ixpk= 0, nxpk= 0, iat= 324,1371, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, /
#
# 23 ASP HA 23 ASP HB3 3.109
&rst
ixpk= 0, nxpk= 0, iat= 324, 327, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, /
#
# 23 ASP HA 24 LEU HA 4.795
&rst
ixpk= 0, nxpk= 0, iat= 324, 336, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, /
#
# 23 ASP HA 23 ASP HB2 3.208
&rst
ixpk= 0, nxpk= 0, iat= 324, 326, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, /
#
# 77 LEU HN 77 LEU HB3 3.048
&rst
ixpk= 0, nxpk= 0, iat=1135,1140, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, /
#
# 23 ASP HN 23 ASP HA 4.0969999999999995
&rst
ixpk= 0, nxpk= 0, iat= 322, 324, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, /
#
# 24 LEU HN 23 ASP HA 3.3169999999999997
&rst
ixpk= 0, nxpk= 0, iat= 334, 324, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, /
#
# 77 LEU HN 76 TYR HB3 3.589
&rst
ixpk= 0, nxpk= 0, iat=1135,1119, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, /
#
# 23 ASP HA 84 PHE HE2 3.965
&rst
ixpk= 0, nxpk= 0, iat= 324,1246, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, /
#
# 77 LEU HN 74 LYS HN 5.441
&rst
ixpk= 0, nxpk= 0, iat=1135,1077, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, /
#
# 24 LEU HA 28 LEU HN 4.543
&rst
ixpk= 0, nxpk= 0, iat= 336, 400, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, /
#
# 24 LEU HA 27 ALA HN 4.035
&rst
ixpk= 0, nxpk= 0, iat= 336, 390, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, /
#
# 24 LEU HN 24 LEU HA 3.571
&rst
ixpk= 0, nxpk= 0, iat= 334, 336, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, /
#
# 24 LEU HA 25 LYS HN 4.303
&rst
ixpk= 0, nxpk= 0, iat= 336, 353, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, /
#
# 48 ALA HN 49 LYS HN 3.761
&rst
ixpk= 0, nxpk= 0, iat= 674, 684, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, /
#
# 24 LEU HA 84 PHE HD2 4.383
&rst
ixpk= 0, nxpk= 0, iat= 336,1248, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, /
#
# 48 ALA HN 47 ASP HB3 3.048
&rst
ixpk= 0, nxpk= 0, iat= 674, 667, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, /
#
# 24 LEU HA 24 LEU HB3 2.878
&rst
ixpk= 0, nxpk= 0, iat= 336, 339, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, /
#
# 24 LEU HA 24 LEU HG 3.5650000000000004
&rst
ixpk= 0, nxpk= 0, iat= 336, 341, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, /
#
# 24 LEU HA 24 LEU HB2 2.915
&rst
ixpk= 0, nxpk= 0, iat= 336, 338, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, /
#
# 24 LEU HA 24 LEU HD2* 2.774
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 347, 348, 349,
/
#
# 35 PHE HN 35 PHE HA 3.09
&rst
ixpk= 0, nxpk= 0, iat= 477, 479, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, /
#
# 24 LEU HB2 24 LEU HB3 2.933
&rst
ixpk= 0, nxpk= 0, iat= 338, 339, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, /
#
# 24 LEU HB2 24 LEU HG 4.066000000000001
&rst
ixpk= 0, nxpk= 0, iat= 338, 341, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, /
#
# 24 LEU HB2 24 LEU HD2* 3.9739999999999998
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 347, 348, 349,
/
#
# 25 LYS HA 24 LEU HA 5.037
&rst
ixpk= 0, nxpk= 0, iat= 355, 336, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, /
#
# 25 LYS HA 25 LYS HB2 2.557
&rst
ixpk= 0, nxpk= 0, iat= 355, 357, r1= 1.30, r2= 1.80, r3= 2.56, r4= 3.06, /
#
# 25 LYS HA 28 LEU HG 3.114
&rst
ixpk= 0, nxpk= 0, iat= 355, 407, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, /
#
# 19 ASP HN 18 LYS HG2 4.953
&rst
ixpk= 0, nxpk= 0, iat= 270, 255, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, /
#
# 25 LYS HA 28 LEU HN 3.652
&rst
ixpk= 0, nxpk= 0, iat= 355, 400, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, /
#
# 25 LYS HA 27 ALA HN 5.146
&rst
ixpk= 0, nxpk= 0, iat= 355, 390, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, /
#
# 25 LYS HA 29 ALA HN 4.414
&rst
ixpk= 0, nxpk= 0, iat= 355, 419, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, /
#
# 25 LYS HN 25 LYS HA 3.22
&rst
ixpk= 0, nxpk= 0, iat= 353, 355, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, /
#
# 26 GLU HB3 23 ASP HN 4.398
&rst
ixpk= 0, nxpk= 0, iat= 380, 322, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, /
#
# 19 ASP HN 20 GLY HN 3.2720000000000002
&rst
ixpk= 0, nxpk= 0, iat= 270, 282, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, /
#
# 26 GLU HB3 14 PHE HB* 3.381
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2= 194, 195,
/
#
# 26 GLU HB3 26 GLU HG3 4.455
&rst
ixpk= 0, nxpk= 0, iat= 380, 383, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, /
#
# 26 GLU HG3 26 GLU HN 4.314
&rst
ixpk= 0, nxpk= 0, iat= 383, 375, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, /
#
# 26 GLU HG3 26 GLU HA 3.5780000000000003
&rst
ixpk= 0, nxpk= 0, iat= 383, 377, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, /
#
# 27 ALA HA 28 LEU HN 3.8710000000000004
&rst
ixpk= 0, nxpk= 0, iat= 392, 400, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, /
#
# 27 ALA HN 27 ALA HA 3.335
&rst
ixpk= 0, nxpk= 0, iat= 390, 392, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, /
#
# 27 ALA HA 30 ALA HN 4.059
&rst
ixpk= 0, nxpk= 0, iat= 392, 429, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, /
#
# 27 ALA HA 14 PHE HB* 5.184
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 194, 195,
/
#
# 106 SER HN 106 SER HA 3.112
&rst
ixpk= 0, nxpk= 0, iat=1532,1534, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, /
#
# 106 SER HN 106 SER HB* 3.122
&rst
ixpk= 0, nxpk= 0, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2=1536,1537,
/
#
# 106 SER HN 107 ALA HN 3.487
&rst
ixpk= 0, nxpk= 0, iat=1532,1543, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, /
#
# 27 ALA HA 27 ALA HB* 2.5989999999999998
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 394, 395, 396,
/
#
# 106 SER HN 105 GLY HA* 4.404
&rst
ixpk= 0, nxpk= 0, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1527,1528,
/
#
# 27 ALA HA 112 ILE HG2* 3.5359999999999996
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1627,1628,1629,
/
#
# 27 ALA HA 112 ILE HD1* 3.333
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1634,1635,1636,
/
#
# 28 LEU HN 27 ALA HB* 3.284
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 394, 395, 396,
/
#
# 27 ALA HB* 27 ALA HN 2.895
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 394, 395, 396,
/
#
# 48 ALA HB* 48 ALA HN 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 678, 679, 680,
/
#
# 97 ALA HN 96 ASP HB3 3.109
&rst
ixpk= 0, nxpk= 0, iat=1412,1405, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, /
#
# 82 ALA HB* 83 GLN HN 4.632
&rst
ixpk= 0, nxpk= 0, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1209,1210,1211,
/
#
# 97 ALA HN 98 ARG HN 3.972
&rst
ixpk= 0, nxpk= 0, iat=1412,1422, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, /
#
# 49 LYS HN 49 LYS HG2 3.186
&rst
ixpk= 0, nxpk= 0, iat= 684, 691, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, /
#
# 49 LYS HN 49 LYS HB2 2.874
&rst
ixpk= 0, nxpk= 0, iat= 684, 688, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, /
#
# 49 LYS HN 50 GLU HB3 4.439
&rst
ixpk= 0, nxpk= 0, iat= 684, 711, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, /
#
# 27 ALA HB* 84 PHE HE2 3.591
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 394, 395, 396,
/
#
# 30 ALA HB* 31 GLY HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 433, 434, 435,
/
#
# 30 ALA HB* 32 SER HN 5.037
&rst
ixpk= 0, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 433, 434, 435,
/
#
# 30 ALA HB* 29 ALA HN 4.904
&rst
ixpk= 0, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 433, 434, 435,
/
#
# 30 ALA HB* 30 ALA HN 2.972
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 433, 434, 435,
/
#
# 30 ALA HB* 14 PHE HE2 3.353
&rst
ixpk= 0, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 433, 434, 435,
/
#
# 25 LYS HN 23 ASP HB3 4.3919999999999995
&rst
ixpk= 0, nxpk= 0, iat= 353, 327, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, /
#
# 25 LYS HN 25 LYS HB2 2.8859999999999997
&rst
ixpk= 0, nxpk= 0, iat= 353, 357, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, /
#
# 25 LYS HN 25 LYS HG2 3.178
&rst
ixpk= 0, nxpk= 0, iat= 353, 360, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, /
#
# 30 ALA HB* 31 GLY HA* 4.788
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 433, 434, 435,
igr2= 441, 442,
/
#
# 14 PHE HB* 30 ALA HB* 4.632
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 194, 195,
igr2= 433, 434, 435,
/
#
# 25 LYS HN 26 GLU HN 3.481
&rst
ixpk= 0, nxpk= 0, iat= 353, 375, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, /
#
# 30 ALA HB* 112 ILE HG2* 3.3970000000000002
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 433, 434, 435,
igr2=1627,1628,1629,
/
#
# 74 LYS HN 75 GLU HN 3.52
&rst
ixpk= 0, nxpk= 0, iat=1077,1099, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, /
#
# 30 ALA HB* 14 PHE HB* 4.775
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 433, 434, 435,
igr2= 194, 195,
/
#
# 31 GLY HA* 112 ILE HA 4.099
&rst
ixpk= 0, nxpk= 0, iat= -1,1623, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 441, 442,
/
#
# 31 GLY HA* 112 ILE HB 5.291
&rst
ixpk= 0, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 441, 442,
/
#
# 74 LYS HN 74 LYS HG2 3.433
&rst
ixpk= 0, nxpk= 0, iat=1077,1084, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, /
#
# 31 GLY HA* 34 ALA HB* 4.007
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 441, 442,
igr2= 471, 472, 473,
/
#
# 31 GLY HA* 112 ILE HG2* 3.504
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 441, 442,
igr2=1627,1628,1629,
/
#
# 32 SER HA 35 PHE HN 4.346
&rst
ixpk= 0, nxpk= 0, iat= 448, 477, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, /
#
# 32 SER HA 36 ASP HN 3.987
&rst
ixpk= 0, nxpk= 0, iat= 448, 497, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, /
#
# 32 SER HA 35 PHE HE2 4.834
&rst
ixpk= 0, nxpk= 0, iat= 448, 491, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, /
#
# 32 SER HA 35 PHE HB* 3.672
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 481, 482,
/
#
# 59 ASP HN 59 ASP HB2 3.5580000000000003
&rst
ixpk= 0, nxpk= 0, iat= 845, 849, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, /
#
# 59 ASP HN 58 ALA HB* 3.343
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 839, 840, 841,
/
#
# 37 LYS HN 35 PHE HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= 509, 479, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, /
#
# 37 LYS HN 36 ASP HB3 3.468
&rst
ixpk= 0, nxpk= 0, iat= 509, 502, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, /
#
# 37 LYS HN 37 LYS HA 3.386
&rst
ixpk= 0, nxpk= 0, iat= 509, 511, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, /
#
# 33 ALA HB* 33 ALA HN 2.772
&rst
ixpk= 0, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 461, 462, 463,
/
#
# 33 ALA HB* 14 PHE HE2 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 461, 462, 463,
/
#
# 37 LYS HN 39 ASP HN 5.061
&rst
ixpk= 0, nxpk= 0, iat= 509, 550, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, /
#
# 33 ALA HB* 36 ASP HB3 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 461, 462, 463,
/
#
# 33 ALA HB* 30 ALA HA 3.327
&rst
ixpk= 0, nxpk= 0, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 461, 462, 463,
/
#
# 13 ALA HN 10 ASP HA 4.141
&rst
ixpk= 0, nxpk= 0, iat= 180, 141, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, /
#
# 38 LEU HN 35 PHE HA 4.426
&rst
ixpk= 0, nxpk= 0, iat= 531, 479, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, /
#
# 35 PHE HA 36 ASP HN 3.9739999999999998
&rst
ixpk= 0, nxpk= 0, iat= 479, 497, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, /
#
# 13 ALA HN 10 ASP HB3 4.877
&rst
ixpk= 0, nxpk= 0, iat= 180, 144, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, /
#
# 35 PHE HA 76 TYR HE1 5.054
&rst
ixpk= 0, nxpk= 0, iat= 479,1124, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, /
#
# 35 PHE HA 38 LEU HB3 3.376
&rst
ixpk= 0, nxpk= 0, iat= 479, 536, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, /
#
# 35 PHE HA 38 LEU HB2 4.178
&rst
ixpk= 0, nxpk= 0, iat= 479, 535, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, /
#
# 35 PHE HA 38 LEU HD1* 5.099
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 544, 545, 546,
/
#
# 35 PHE HA 38 LEU HD2* 3.559
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 544, 545, 546,
/
#
# 35 PHE HA 46 LEU HD1* 3.3840000000000003
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 656, 657, 658,
/
#
# 35 PHE HA 46 LEU HD2* 4.213
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 656, 657, 658,
/
#
# 38 LEU HN 38 LEU HD1* 4.399
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 544, 545, 546,
/
#
# 35 PHE HA 35 PHE HB* 3.052
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 481, 482,
/
#
# 35 PHE HB* 35 PHE HN 4.005
&rst
ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 481, 482,
/
#
# 38 LEU HN 36 ASP HB3 5.045
&rst
ixpk= 0, nxpk= 0, iat= 531, 502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, /
#
# 36 ASP HA 38 LEU HN 4.911
&rst
ixpk= 0, nxpk= 0, iat= 499, 531, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, /
#
# 36 ASP HN 36 ASP HA 3.0700000000000003
&rst
ixpk= 0, nxpk= 0, iat= 497, 499, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, /
#
# 36 ASP HA 35 PHE HE2 3.353
&rst
ixpk= 0, nxpk= 0, iat= 499, 491, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, /
#
# 98 ARG HN 99 GLU HB3 4.884
&rst
ixpk= 0, nxpk= 0, iat=1422,1451, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, /
#
# 98 ARG HN 98 ARG HB3 3.042
&rst
ixpk= 0, nxpk= 0, iat=1422,1427, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, /
#
# 36 ASP HA 36 ASP HB3 2.6750000000000003
&rst
ixpk= 0, nxpk= 0, iat= 499, 502, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, /
#
# 36 ASP HA 39 ASP HB3 3.6710000000000003
&rst
ixpk= 0, nxpk= 0, iat= 499, 555, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, /
#
# 36 ASP HA 37 LYS HG2 5.165
&rst
ixpk= 0, nxpk= 0, iat= 499, 516, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, /
#
# 41 ASP HA 42 LYS HN 3.985
&rst
ixpk= 0, nxpk= 0, iat= 578, 588, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, /
#
# 24 LEU HN 24 LEU HB3 3.3609999999999998
&rst
ixpk= 0, nxpk= 0, iat= 334, 339, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, /
#
# 41 ASP HA 41 ASP HB3 2.825
&rst
ixpk= 0, nxpk= 0, iat= 578, 581, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, /
#
# 41 ASP HA 41 ASP HB2 2.851
&rst
ixpk= 0, nxpk= 0, iat= 578, 580, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, /
#
# 41 ASP HA 42 LYS HG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 578, 595, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, /
#
# 41 ASP HB3 41 ASP HN 4.808
&rst
ixpk= 0, nxpk= 0, iat= 581, 576, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, /
#
# 44 GLY HA* 45 THR HN 4.941
&rst
ixpk= 0, nxpk= 0, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 624, 625,
/
#
# 46 LEU HN 45 THR HA 3.004
&rst
ixpk= 0, nxpk= 0, iat= 643, 631, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 45 THR HA 71 LEU HN 5.205
&rst
ixpk= 0, nxpk= 0, iat= 631,1024, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, /
#
# 45 THR HA 73 LYS HN 4.904
&rst
ixpk= 0, nxpk= 0, iat= 631,1055, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, /
#
# 55 VAL HN 54 ARG HN 3.1310000000000002
&rst
ixpk= 0, nxpk= 0, iat= 793, 769, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, /
#
# 54 ARG HN 54 ARG HB3 3.3770000000000002
&rst
ixpk= 0, nxpk= 0, iat= 769, 774, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, /
#
# 71 LEU HN 70 THR HB 3.347
&rst
ixpk= 0, nxpk= 0, iat=1024,1014, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, /
#
# 45 THR HG2* 46 LEU HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 635, 636, 637,
/
#
# 45 THR HG2* 72 ASP HN 4.875
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 635, 636, 637,
/
#
# 73 LYS HN 45 THR HG2* 4.834
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 635, 636, 637,
/
#
# 45 THR HN 45 THR HG2* 3.899
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 635, 636, 637,
/
#
# 45 THR HG2* 71 LEU HA 5.0120000000000005
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 635, 636, 637,
/
#
# 45 THR HG2* 73 LYS HB2 3.7239999999999998
&rst
ixpk= 0, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 635, 636, 637,
/
#
# 46 LEU HA 46 LEU HN 4.158
&rst
ixpk= 0, nxpk= 0, iat= 645, 643, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, /
#
# 47 ASP HN 46 LEU HA 2.839
&rst
ixpk= 0, nxpk= 0, iat= 662, 645, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, /
#
# 109 VAL HN 109 VAL HB 3.17
&rst
ixpk= 0, nxpk= 0, iat=1572,1576, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, /
#
# 46 LEU HA 43 ASP HB3 5.247
&rst
ixpk= 0, nxpk= 0, iat= 645, 615, r1= 1.30, r2= 1.80, r3= 7.25, r4= 8.75, /
#
# 46 LEU HA 50 GLU HG3 5.236
&rst
ixpk= 0, nxpk= 0, iat= 645, 714, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, /
#
# 46 LEU HA 50 GLU HB3 3.787
&rst
ixpk= 0, nxpk= 0, iat= 645, 711, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, /
#
# 46 LEU HA 46 LEU HB3 3.673
&rst
ixpk= 0, nxpk= 0, iat= 645, 648, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, /
#
# 47 ASP HB3 45 THR HN 4.934
&rst
ixpk= 0, nxpk= 0, iat= 667, 629, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, /
#
# 81 GLU HN 81 GLU HB3 2.923
&rst
ixpk= 0, nxpk= 0, iat=1190,1195, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, /
#
# 94 THR HA 95 ILE HN 3.034
&rst
ixpk= 0, nxpk= 0, iat=1369,1381, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, /
#
# 94 THR HA 22 ILE HN 4.827
&rst
ixpk= 0, nxpk= 0, iat=1369, 303, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, /
#
# 94 THR HA 24 LEU HN 5.205
&rst
ixpk= 0, nxpk= 0, iat=1369, 334, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, /
#
# 94 THR HA 94 THR HN 4.418
&rst
ixpk= 0, nxpk= 0, iat=1369,1367, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, /
#
# 94 THR HA 84 PHE HE2 4.13
&rst
ixpk= 0, nxpk= 0, iat=1369,1246, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, /
#
# 94 THR HA 23 ASP HB3 4.8469999999999995
&rst
ixpk= 0, nxpk= 0, iat=1369, 327, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, /
#
# 94 THR HA 23 ASP HB2 4.763999999999999
&rst
ixpk= 0, nxpk= 0, iat=1369, 326, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, /
#
# 94 THR HA 22 ILE HB 5.215
&rst
ixpk= 0, nxpk= 0, iat=1369, 307, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, /
#
# 58 ALA HN 59 ASP HB3 4.821
&rst
ixpk= 0, nxpk= 0, iat= 835, 850, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, /
#
# 83 GLN HN 83 GLN HB3 2.9219999999999997
&rst
ixpk= 0, nxpk= 0, iat=1215,1220, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, /
#
# 72 ASP HA 46 LEU HN 4.3709999999999996
&rst
ixpk= 0, nxpk= 0, iat=1045, 643, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, /
#
# 72 ASP HN 72 ASP HA 4.0520000000000005
&rst
ixpk= 0, nxpk= 0, iat=1043,1045, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, /
#
# 73 LYS HN 72 ASP HA 3.33
&rst
ixpk= 0, nxpk= 0, iat=1055,1045, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, /
#
# 72 ASP HA 74 LYS HN 5.236
&rst
ixpk= 0, nxpk= 0, iat=1045,1077, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, /
#
# 82 ALA HN 82 ALA HA 2.9880000000000004
&rst
ixpk= 0, nxpk= 0, iat=1205,1207, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, /
#
# 72 ASP HA 73 LYS HB2 4.9719999999999995
&rst
ixpk= 0, nxpk= 0, iat=1045,1059, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, /
#
# 72 ASP HA 73 LYS HG2 5.046
&rst
ixpk= 0, nxpk= 0, iat=1045,1062, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, /
#
# 96 ASP HA 97 ALA HN 3.139
&rst
ixpk= 0, nxpk= 0, iat=1402,1412, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, /
#
# 97 ALA HA 98 ARG HN 4.021
&rst
ixpk= 0, nxpk= 0, iat=1414,1422, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, /
#
# 97 ALA HN 97 ALA HA 3.275
&rst
ixpk= 0, nxpk= 0, iat=1412,1414, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, /
#
# 50 GLU HG3 47 ASP HN 5.108
&rst
ixpk= 0, nxpk= 0, iat= 714, 662, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, /
#
# 50 GLU HG3 50 GLU HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 714, 706, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, /
#
# 13 ALA HN 12 ALA HN 3.495
&rst
ixpk= 0, nxpk= 0, iat= 180, 170, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, /
#
# 12 ALA HN 10 ASP HA 4.298
&rst
ixpk= 0, nxpk= 0, iat= 170, 141, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, /
#
# 12 ALA HN 12 ALA HA 3.5
&rst
ixpk= 0, nxpk= 0, iat= 170, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 54 ARG HA 54 ARG HN 3.738
&rst
ixpk= 0, nxpk= 0, iat= 771, 769, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, /
#
# 54 ARG HA 55 VAL HN 4.211
&rst
ixpk= 0, nxpk= 0, iat= 771, 793, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, /
#
# 12 ALA HN 11 ILE HG2* 3.347
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 157, 158, 159,
/
#
# 108 LEU HN 109 VAL HN 3.599
&rst
ixpk= 0, nxpk= 0, iat=1553,1572, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, /
#
# 108 LEU HN 106 SER HN 5.382
&rst
ixpk= 0, nxpk= 0, iat=1553,1532, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, /
#
# 54 ARG HA 54 ARG HB3 3.123
&rst
ixpk= 0, nxpk= 0, iat= 771, 774, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, /
#
# 54 ARG HA 54 ARG HG2 3.2590000000000003
&rst
ixpk= 0, nxpk= 0, iat= 771, 776, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, /
#
# 108 LEU HN 108 LEU HB3 3.2439999999999998
&rst
ixpk= 0, nxpk= 0, iat=1553,1558, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, /
#
# 55 VAL HA 56 SER HN 2.691
&rst
ixpk= 0, nxpk= 0, iat= 795, 809, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, /
#
# 55 VAL HN 55 VAL HA 3.763
&rst
ixpk= 0, nxpk= 0, iat= 793, 795, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, /
#
# 55 VAL HA 59 ASP HB3 4.43
&rst
ixpk= 0, nxpk= 0, iat= 795, 850, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, /
#
# 55 VAL HA 59 ASP HB2 4.911
&rst
ixpk= 0, nxpk= 0, iat= 795, 849, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, /
#
# 55 VAL HA 55 VAL HB 3.5429999999999997
&rst
ixpk= 0, nxpk= 0, iat= 795, 797, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, /
#
# 33 ALA HN 33 ALA HB* 2.864
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
igr2= 461, 462, 463,
/
#
# 33 ALA HN 33 ALA HA 2.982
&rst
ixpk= 0, nxpk= 0, iat= 457, 459, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, /
#
# 55 VAL HA 55 VAL HG1* 3.156
&rst
ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 799, 800, 801,
/
#
# 55 VAL HB 56 SER HN 5.205
&rst
ixpk= 0, nxpk= 0, iat= 797, 809, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, /
#
# 86 ALA HN 86 ALA HB* 2.858
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1278,1279,1280,
/
#
# 86 ALA HN 87 ALA HB* 4.742
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1288,1289,1290,
/
#
# 55 VAL HB 51 LEU HA 5.175
&rst
ixpk= 0, nxpk= 0, iat= 797, 723, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, /
#
# 55 VAL HB 51 LEU HB2 3.772
&rst
ixpk= 0, nxpk= 0, iat= 797, 725, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, /
#
# 9 VAL HN 9 VAL HB 3.596
&rst
ixpk= 0, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, /
#
# 56 SER HB* 56 SER HA 2.7849999999999997
&rst
ixpk= 0, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr1= 813, 814,
/
#
# 9 VAL HN 8 LYS HG2 4.727
&rst
ixpk= 0, nxpk= 0, iat= 123, 108, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, /
#
# 56 SER HB* 56 SER HN 3.9459999999999997
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 813, 814,
/
#
# 56 SER HB* 57 GLU HN 4.727
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 813, 814,
/
#
# 57 GLU HA 57 GLU HB3 2.604
&rst
ixpk= 0, nxpk= 0, iat= 822, 825, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, /
#
# 57 GLU HA 60 LEU HB2 3.208
&rst
ixpk= 0, nxpk= 0, iat= 822, 861, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, /
#
# 75 GLU HN 75 GLU HB3 3.57
&rst
ixpk= 0, nxpk= 0, iat=1099,1104, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, /
#
# 75 GLU HN 75 GLU HB3 3.45
&rst
ixpk= 0, nxpk= 0, iat=1099,1104, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, /
#
# 57 GLU HA 60 LEU HN 3.694
&rst
ixpk= 0, nxpk= 0, iat= 822, 857, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, /
#
# 57 GLU HA 58 ALA HN 4.035
&rst
ixpk= 0, nxpk= 0, iat= 822, 835, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, /
#
# 57 GLU HA 61 LYS HN 4.525
&rst
ixpk= 0, nxpk= 0, iat= 822, 876, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, /
#
# 57 GLU HB3 58 ALA HN 3.981
&rst
ixpk= 0, nxpk= 0, iat= 825, 835, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, /
#
# 57 GLU HG3 57 GLU HA 3.888
&rst
ixpk= 0, nxpk= 0, iat= 828, 822, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, /
#
# 26 GLU HN 26 GLU HB3 3.4349999999999996
&rst
ixpk= 0, nxpk= 0, iat= 375, 380, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, /
#
# 57 GLU HG3 57 GLU HB3 3.047
&rst
ixpk= 0, nxpk= 0, iat= 828, 825, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, /
#
# 57 GLU HG3 48 ALA HB* 3.876
&rst
ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 678, 679, 680,
/
#
# 57 GLU HG3 60 LEU HD1* 5.08
&rst
ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 870, 871, 872,
/
#
# 57 GLU HN 57 GLU HG3 3.8409999999999997
&rst
ixpk= 0, nxpk= 0, iat= 820, 828, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, /
#
# 58 ALA HA 60 LEU HN 4.801
&rst
ixpk= 0, nxpk= 0, iat= 837, 857, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, /
#
# 38 LEU HN 38 LEU HA 3.392
&rst
ixpk= 0, nxpk= 0, iat= 531, 533, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, /
#
# 58 ALA HA 61 LYS HN 4.031000000000001
&rst
ixpk= 0, nxpk= 0, iat= 837, 876, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, /
#
# 57 GLU HN 56 SER HA 2.952
&rst
ixpk= 0, nxpk= 0, iat= 820, 811, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, /
#
# 60 LEU HN 59 ASP HA 4.092
&rst
ixpk= 0, nxpk= 0, iat= 857, 847, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, /
#
# 59 ASP HN 59 ASP HA 3.364
&rst
ixpk= 0, nxpk= 0, iat= 845, 847, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, /
#
# 62 LYS HN 59 ASP HA 3.511
&rst
ixpk= 0, nxpk= 0, iat= 898, 847, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, /
#
# 59 ASP HA 59 ASP HB3 3.226
&rst
ixpk= 0, nxpk= 0, iat= 847, 850, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, /
#
# 59 ASP HA 59 ASP HB2 2.9219999999999997
&rst
ixpk= 0, nxpk= 0, iat= 847, 849, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, /
#
# 84 PHE HN 85 LYS HN 3.7239999999999998
&rst
ixpk= 0, nxpk= 0, iat=1232,1252, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, /
#
# 84 PHE HN 84 PHE HD2 4.4399999999999995
&rst
ixpk= 0, nxpk= 0, iat=1232,1248, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, /
#
# 84 PHE HN 84 PHE HB* 3.355
&rst
ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1236,1237,
/
#
# 60 LEU HA 63 LEU HA 5.099
&rst
ixpk= 0, nxpk= 0, iat= 859, 922, r1= 1.30, r2= 1.80, r3= 7.10, r4= 8.60, /
#
# 60 LEU HA 70 THR HB 4.577
&rst
ixpk= 0, nxpk= 0, iat= 859,1014, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, /
#
# 60 LEU HA 59 ASP HB3 5.268
&rst
ixpk= 0, nxpk= 0, iat= 859, 850, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, /
#
# 60 LEU HA 59 ASP HB2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 859, 849, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, /
#
# 60 LEU HA 60 LEU HB3 3.047
&rst
ixpk= 0, nxpk= 0, iat= 859, 862, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, /
#
# 60 LEU HA 60 LEU HB2 2.8979999999999997
&rst
ixpk= 0, nxpk= 0, iat= 859, 861, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, /
#
# 60 LEU HA 55 VAL HG1* 2.9770000000000003
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 799, 800, 801,
/
#
# 60 LEU HN 60 LEU HA 3.324
&rst
ixpk= 0, nxpk= 0, iat= 857, 859, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, /
#
# 63 LEU HN 60 LEU HA 3.983
&rst
ixpk= 0, nxpk= 0, iat= 920, 859, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, /
#
# 62 LYS HN 60 LEU HA 3.886
&rst
ixpk= 0, nxpk= 0, iat= 898, 859, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, /
#
# 60 LEU HB2 60 LEU HN 3.528
&rst
ixpk= 0, nxpk= 0, iat= 861, 857, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, /
#
# 60 LEU HB2 62 LYS HN 4.502000000000001
&rst
ixpk= 0, nxpk= 0, iat= 861, 898, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 60 LEU HB2 55 VAL HG1* 3.945
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 799, 800, 801,
/
#
# 50 GLU HN 49 LYS HB2 3.293
&rst
ixpk= 0, nxpk= 0, iat= 706, 688, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, /
#
# 60 LEU HB2 60 LEU HB3 2.76
&rst
ixpk= 0, nxpk= 0, iat= 861, 862, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, /
#
# 50 GLU HN 51 LEU HN 3.032
&rst
ixpk= 0, nxpk= 0, iat= 706, 721, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, /
#
# 60 LEU HG 61 LYS HA 5.175
&rst
ixpk= 0, nxpk= 0, iat= 864, 878, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, /
#
# 60 LEU HG 57 GLU HA 5.072
&rst
ixpk= 0, nxpk= 0, iat= 864, 822, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, /
#
# 60 LEU HG 60 LEU HA 3.4019999999999997
&rst
ixpk= 0, nxpk= 0, iat= 864, 859, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, /
#
# 60 LEU HG 60 LEU HB3 3.44
&rst
ixpk= 0, nxpk= 0, iat= 864, 862, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, /
#
# 60 LEU HG 55 VAL HG1* 3.52
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 799, 800, 801,
/
#
# 60 LEU HG 60 LEU HD1* 2.8890000000000002
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 870, 871, 872,
/
#
# 60 LEU HG 60 LEU HN 4.476
&rst
ixpk= 0, nxpk= 0, iat= 864, 857, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, /
#
# 60 LEU HG 62 LYS HN 4.861
&rst
ixpk= 0, nxpk= 0, iat= 864, 898, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, /
#
# 63 LEU HA 65 PRO HD2 4.346
&rst
ixpk= 0, nxpk= 0, iat= 922, 952, r1= 1.30, r2= 1.80, r3= 7.35, r4= 8.85, /
#
# 34 ALA HN 10 ASP HA 5.102
&rst
ixpk= 0, nxpk= 0, iat= 467, 141, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, /
#
# 34 ALA HN 34 ALA HA 3.5
&rst
ixpk= 0, nxpk= 0, iat= 467, 469, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 51 LEU HA 54 ARG HB2 2.864
&rst
ixpk= 0, nxpk= 0, iat= 723, 773, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, /
#
# 63 LEU HA 63 LEU HD2* 2.5
&rst
ixpk= 0, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 933, 934, 935,
/
#
# 63 LEU HN 63 LEU HA 3.3200000000000003
&rst
ixpk= 0, nxpk= 0, iat= 920, 922, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, /
#
# 63 LEU HA 64 ASP HN 3.9029999999999996
&rst
ixpk= 0, nxpk= 0, iat= 922, 939, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, /
#
# 34 ALA HN 33 ALA HB* 3.296
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 461, 462, 463,
/
#
# 66 ASP HB2 66 ASP HA 3.4939999999999998
&rst
ixpk= 0, nxpk= 0, iat= 969, 967, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, /
#
# 30 ALA HN 30 ALA HB* 2.958
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 433, 434, 435,
/
#
# 70 THR HA 46 LEU HN 5.215
&rst
ixpk= 0, nxpk= 0, iat=1012, 643, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, /
#
# 71 LEU HN 70 THR HA 2.825
&rst
ixpk= 0, nxpk= 0, iat=1024,1012, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, /
#
# 70 THR HN 70 THR HA 3.663
&rst
ixpk= 0, nxpk= 0, iat=1010,1012, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, /
#
# 30 ALA HN 31 GLY HA* 5.075
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 441, 442,
/
#
# 70 THR HA 70 THR HB 2.869
&rst
ixpk= 0, nxpk= 0, iat=1012,1014, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, /
#
# 70 THR HA 69 GLY HA* 5.313
&rst
ixpk= 0, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1005,1006,
/
#
# 79 ALA HN 77 LEU HN 5.059
&rst
ixpk= 0, nxpk= 0, iat=1164,1135, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, /
#
# 79 ALA HN 80 VAL HN 3.238
&rst
ixpk= 0, nxpk= 0, iat=1164,1174, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, /
#
# 70 THR HA 46 LEU HB3 4.841
&rst
ixpk= 0, nxpk= 0, iat=1012, 648, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, /
#
# 70 THR HA 71 LEU HB2 4.0969999999999995
&rst
ixpk= 0, nxpk= 0, iat=1012,1028, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, /
#
# 70 THR HA 51 LEU HD2* 3.2520000000000002
&rst
ixpk= 0, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 734, 735, 736,
/
#
# 70 THR HA 71 LEU HA 5.117
&rst
ixpk= 0, nxpk= 0, iat=1012,1026, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, /
#
# 107 ALA HN 102 SER HA 5.201
&rst
ixpk= 0, nxpk= 0, iat=1543,1492, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, /
#
# 70 THR HB 71 LEU HA 5.09
&rst
ixpk= 0, nxpk= 0, iat=1014,1026, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, /
#
# 10 ASP HN 10 ASP HB3 3.886
&rst
ixpk= 0, nxpk= 0, iat= 139, 144, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, /
#
# 10 ASP HN 10 ASP HA 2.941
&rst
ixpk= 0, nxpk= 0, iat= 139, 141, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, /
#
# 71 LEU HN 71 LEU HA 4.104
&rst
ixpk= 0, nxpk= 0, iat=1024,1026, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, /
#
# 72 ASP HN 71 LEU HA 2.9219999999999997
&rst
ixpk= 0, nxpk= 0, iat=1043,1026, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, /
#
# 27 ALA HN 84 PHE HE2 5.673
&rst
ixpk= 0, nxpk= 0, iat= 390,1246, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, /
#
# 27 ALA HN 23 ASP HN 5.144
&rst
ixpk= 0, nxpk= 0, iat= 390, 322, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, /
#
# 26 GLU HN 27 ALA HN 3.139
&rst
ixpk= 0, nxpk= 0, iat= 375, 390, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, /
#
# 71 LEU HA 72 ASP HA 4.834
&rst
ixpk= 0, nxpk= 0, iat=1026,1045, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, /
#
# 27 ALA HN 26 GLU HB3 3.769
&rst
ixpk= 0, nxpk= 0, iat= 390, 380, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, /
#
# 27 ALA HN 28 LEU HB3 4.195
&rst
ixpk= 0, nxpk= 0, iat= 390, 405, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, /
#
# 71 LEU HA 75 GLU HB3 3.828
&rst
ixpk= 0, nxpk= 0, iat=1026,1104, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, /
#
# 71 LEU HA 64 ASP HB2 3.9319999999999995
&rst
ixpk= 0, nxpk= 0, iat=1026, 943, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, /
#
# 71 LEU HA 71 LEU HB3 3.7119999999999997
&rst
ixpk= 0, nxpk= 0, iat=1026,1029, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, /
#
# 71 LEU HA 46 LEU HB3 5.236
&rst
ixpk= 0, nxpk= 0, iat=1026, 648, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, /
#
# 71 LEU HA 71 LEU HB2 3.279
&rst
ixpk= 0, nxpk= 0, iat=1026,1028, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, /
#
# 71 LEU HA 71 LEU HD2* 2.9770000000000003
&rst
ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1037,1038,1039,
/
#
# 71 LEU HB3 76 TYR HD1 5.302
&rst
ixpk= 0, nxpk= 0, iat=1029,1122, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, /
#
# 76 TYR HN 76 TYR HB3 3.102
&rst
ixpk= 0, nxpk= 0, iat=1114,1119, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, /
#
# 71 LEU HB3 71 LEU HB2 3.099
&rst
ixpk= 0, nxpk= 0, iat=1029,1028, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, /
#
# 71 LEU HB3 71 LEU HD1* 3.6590000000000003
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1037,1038,1039,
/
#
# 71 LEU HB3 71 LEU HD2* 4.241
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1037,1038,1039,
/
#
# 71 LEU HB3 46 LEU HD1* 5.258
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2= 656, 657, 658,
/
#
# 72 ASP HA 45 THR HB 4.324
&rst
ixpk= 0, nxpk= 0, iat=1045, 633, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, /
#
# 72 ASP HA 72 ASP HB3 3.099
&rst
ixpk= 0, nxpk= 0, iat=1045,1048, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, /
#
# 76 TYR HN 76 TYR HD1 4.12
&rst
ixpk= 0, nxpk= 0, iat=1114,1122, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, /
#
# 76 TYR HN 78 ALA HN 4.949
&rst
ixpk= 0, nxpk= 0, iat=1114,1154, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, /
#
# 45 THR HG2* 72 ASP HA 3.266
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 635, 636, 637,
/
#
# 74 LYS HA 72 ASP HB3 4.941
&rst
ixpk= 0, nxpk= 0, iat=1079,1048, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, /
#
# 57 GLU HA 48 ALA HB* 3.034
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 678, 679, 680,
/
#
# 74 LYS HN 74 LYS HA 3.162
&rst
ixpk= 0, nxpk= 0, iat=1077,1079, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, /
#
# 74 LYS HA 76 TYR HN 5.258
&rst
ixpk= 0, nxpk= 0, iat=1079,1114, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, /
#
# 74 LYS HA 75 GLU HN 3.7
&rst
ixpk= 0, nxpk= 0, iat=1079,1099, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, /
#
# 74 LYS HA 74 LYS HB2 3.094
&rst
ixpk= 0, nxpk= 0, iat=1079,1081, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, /
#
# 50 GLU HN 50 GLU HA 3.129
&rst
ixpk= 0, nxpk= 0, iat= 706, 708, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, /
#
# 47 ASP HN 50 GLU HA 4.5920000000000005
&rst
ixpk= 0, nxpk= 0, iat= 662, 708, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, /
#
# 62 LYS HN 62 LYS HA 3.056
&rst
ixpk= 0, nxpk= 0, iat= 898, 900, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, /
#
# 62 LYS HA 64 ASP HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 900, 939, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, /
#
# 76 TYR HB2 76 TYR HN 4.134
&rst
ixpk= 0, nxpk= 0, iat=1118,1114, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, /
#
# 76 TYR HB2 77 LEU HN 4.665
&rst
ixpk= 0, nxpk= 0, iat=1118,1135, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, /
#
# 76 TYR HB2 76 TYR HD1 3.721
&rst
ixpk= 0, nxpk= 0, iat=1118,1122, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, /
#
# 76 TYR HB2 76 TYR HA 4.2669999999999995
&rst
ixpk= 0, nxpk= 0, iat=1118,1116, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, /
#
# 76 TYR HB2 76 TYR HB3 3.066
&rst
ixpk= 0, nxpk= 0, iat=1118,1119, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, /
#
# 77 LEU HB2 77 LEU HA 4.05
&rst
ixpk= 0, nxpk= 0, iat=1139,1137, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, /
#
# 77 LEU HB2 77 LEU HB3 2.996
&rst
ixpk= 0, nxpk= 0, iat=1139,1140, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 77 LEU HB3 78 ALA HN 5.046
&rst
ixpk= 0, nxpk= 0, iat=1140,1154, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, /
#
# 77 LEU HB3 77 LEU HA 4.2669999999999995
&rst
ixpk= 0, nxpk= 0, iat=1140,1137, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, /
#
# 22 ILE HN 23 ASP HA 5.431
&rst
ixpk= 0, nxpk= 0, iat= 303, 324, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, /
#
# 23 ASP HN 23 ASP HB3 4.523
&rst
ixpk= 0, nxpk= 0, iat= 322, 327, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, /
#
# 23 ASP HN 23 ASP HB2 3.568
&rst
ixpk= 0, nxpk= 0, iat= 322, 326, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, /
#
# 23 ASP HN 22 ILE HB 5.515
&rst
ixpk= 0, nxpk= 0, iat= 322, 307, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, /
#
# 79 ALA HN 79 ALA HA 2.915
&rst
ixpk= 0, nxpk= 0, iat=1164,1166, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, /
#
# 23 ASP HN 22 ILE HG1* 4.064
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 313, 314,
/
#
# 13 ALA HN 12 ALA HA 3.196
&rst
ixpk= 0, nxpk= 0, iat= 180, 172, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, /
#
# 80 VAL HA 84 PHE HN 4.882
&rst
ixpk= 0, nxpk= 0, iat=1176,1232, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, /
#
# 81 GLU HN 80 VAL HA 4.317
&rst
ixpk= 0, nxpk= 0, iat=1190,1176, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, /
#
# 83 GLN HN 80 VAL HA 4.199
&rst
ixpk= 0, nxpk= 0, iat=1215,1176, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, /
#
# 80 VAL HN 80 VAL HA 3.379
&rst
ixpk= 0, nxpk= 0, iat=1174,1176, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, /
#
# 95 ILE HN 23 ASP HA 3.2990000000000004
&rst
ixpk= 0, nxpk= 0, iat=1381, 324, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 80 VAL HA 80 VAL HB 3.662
&rst
ixpk= 0, nxpk= 0, iat=1176,1178, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, /
#
# 80 VAL HA 83 GLN HB2 3.787
&rst
ixpk= 0, nxpk= 0, iat=1176,1219, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, /
#
# 95 ILE HN 95 ILE HB 3.5229999999999997
&rst
ixpk= 0, nxpk= 0, iat=1381,1385, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, /
#
# 80 VAL HA 79 ALA HB* 4.2010000000000005
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1168,1169,1170,
/
#
# 80 VAL HA 108 LEU HD1* 3.407
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1566,1567,1568,
/
#
# 80 VAL HA 80 VAL HG1* 2.828
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=1180,1181,1182,
/
#
# 95 ILE HN 95 ILE HD1* 5.144
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1394,1395,1396,
/
#
# 80 VAL HA 79 ALA HN 5.063
&rst
ixpk= 0, nxpk= 0, iat=1176,1164, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, /
#
# 96 ASP HN 96 ASP HB3 4.734
&rst
ixpk= 0, nxpk= 0, iat=1400,1405, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, /
#
# 96 ASP HN 99 GLU HB3 3.428
&rst
ixpk= 0, nxpk= 0, iat=1400,1451, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, /
#
# 80 VAL HB 79 ALA HB* 4.489
&rst
ixpk= 0, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1168,1169,1170,
/
#
# 96 ASP HN 95 ILE HG2* 3.9219999999999997
&rst
ixpk= 0, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1387,1388,1389,
/
#
# 80 VAL HB 81 GLU HN 3.574
&rst
ixpk= 0, nxpk= 0, iat=1178,1190, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, /
#
# 96 ASP HN 95 ILE HA 2.98
&rst
ixpk= 0, nxpk= 0, iat=1400,1383, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, /
#
# 80 VAL HB 79 ALA HN 5.258
&rst
ixpk= 0, nxpk= 0, iat=1178,1164, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, /
#
# 11 ILE HN 10 ASP HA 2.9560000000000004
&rst
ixpk= 0, nxpk= 0, iat= 151, 141, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, /
#
# 109 VAL HB 108 LEU HN 5.0200000000000005
&rst
ixpk= 0, nxpk= 0, iat=1576,1553, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, /
#
# 81 GLU HA 84 PHE HN 3.979
&rst
ixpk= 0, nxpk= 0, iat=1192,1232, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, /
#
# 81 GLU HN 81 GLU HA 3.304
&rst
ixpk= 0, nxpk= 0, iat=1190,1192, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 82 ALA HN 81 GLU HA 4.071
&rst
ixpk= 0, nxpk= 0, iat=1205,1192, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, /
#
# 81 GLU HA 85 LYS HN 4.721
&rst
ixpk= 0, nxpk= 0, iat=1192,1252, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, /
#
# 81 GLU HA 84 PHE HD2 4.681
&rst
ixpk= 0, nxpk= 0, iat=1192,1248, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, /
#
# 81 GLU HA 78 ALA HA 4.9719999999999995
&rst
ixpk= 0, nxpk= 0, iat=1192,1156, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, /
#
# 81 GLU HA 84 PHE HB* 3.196
&rst
ixpk= 0, nxpk= 0, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1236,1237,
/
#
# 81 GLU HA 80 VAL HA 5.279
&rst
ixpk= 0, nxpk= 0, iat=1192,1176, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, /
#
# 81 GLU HA 24 LEU HA 5.247
&rst
ixpk= 0, nxpk= 0, iat=1192, 336, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, /
#
# 81 GLU HA 84 PHE HB* 3.633
&rst
ixpk= 0, nxpk= 0, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1236,1237,
/
#
# 81 GLU HA 81 GLU HG3 3.19
&rst
ixpk= 0, nxpk= 0, iat=1192,1198, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, /
#
# 81 GLU HA 81 GLU HB3 2.7169999999999996
&rst
ixpk= 0, nxpk= 0, iat=1192,1195, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, /
#
# 81 GLU HA 24 LEU HD2* 3.0889999999999995
&rst
ixpk= 0, nxpk= 0, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 347, 348, 349,
/
#
# 81 GLU HB3 24 LEU HD2* 4.5920000000000005
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 347, 348, 349,
/
#
# 47 ASP HN 50 GLU HB3 3.366
&rst
ixpk= 0, nxpk= 0, iat= 662, 711, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, /
#
# 81 GLU HN 81 GLU HG3 4.704
&rst
ixpk= 0, nxpk= 0, iat=1190,1198, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, /
#
# 81 GLU HG2 81 GLU HN 4.941
&rst
ixpk= 0, nxpk= 0, iat=1197,1190, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, /
#
# 81 GLU HG3 82 ALA HN 5.108
&rst
ixpk= 0, nxpk= 0, iat=1198,1205, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, /
#
# 81 GLU HG2 81 GLU HA 4.05
&rst
ixpk= 0, nxpk= 0, iat=1197,1192, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, /
#
# 81 GLU HG2 81 GLU HG3 2.559
&rst
ixpk= 0, nxpk= 0, iat=1197,1198, r1= 1.30, r2= 1.80, r3= 2.56, r4= 3.06, /
#
# 47 ASP HN 47 ASP HA 4.077999999999999
&rst
ixpk= 0, nxpk= 0, iat= 662, 664, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, /
#
# 47 ASP HN 46 LEU HN 5.496
&rst
ixpk= 0, nxpk= 0, iat= 662, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 81 GLU HG2 24 LEU HD1* 4.2669999999999995
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 347, 348, 349,
/
#
# 81 GLU HG2 24 LEU HD2* 4.186
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 347, 348, 349,
/
#
# 83 GLN HA 83 GLN HB3 2.8
&rst
ixpk= 0, nxpk= 0, iat=1217,1220, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 83 GLN HA 84 PHE HN 4.109
&rst
ixpk= 0, nxpk= 0, iat=1217,1232, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, /
#
# 83 GLN HA 83 GLN HN 3.226
&rst
ixpk= 0, nxpk= 0, iat=1217,1215, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, /
#
# 83 GLN HA 86 ALA HN 3.441
&rst
ixpk= 0, nxpk= 0, iat=1217,1274, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, /
#
# 32 SER HN 32 SER HA 2.7649999999999997
&rst
ixpk= 0, nxpk= 0, iat= 446, 448, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, /
#
# 84 PHE HA 84 PHE HB* 3.19
&rst
ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1236,1237,
/
#
# 32 SER HN 30 ALA HB* 4.859999999999999
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 433, 434, 435,
/
#
# 84 PHE HA 84 PHE HB* 3.094
&rst
ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1236,1237,
/
#
# 84 PHE HA 108 LEU HB3 5.165
&rst
ixpk= 0, nxpk= 0, iat=1234,1558, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, /
#
# 84 PHE HA 83 GLN HB2 4.949
&rst
ixpk= 0, nxpk= 0, iat=1234,1219, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, /
#
# 84 PHE HA 83 GLN HG2 4.861
&rst
ixpk= 0, nxpk= 0, iat=1234,1222, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, /
#
# 84 PHE HA 87 ALA HB* 3.4139999999999997
&rst
ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1288,1289,1290,
/
#
# 84 PHE HA 108 LEU HD1* 3.434
&rst
ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1566,1567,1568,
/
#
# 84 PHE HA 108 LEU HD2* 3.004
&rst
ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1566,1567,1568,
/
#
# 84 PHE HA 24 LEU HD2* 5.046
&rst
ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 347, 348, 349,
/
#
# 84 PHE HA 95 ILE HD1* 3.184
&rst
ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1394,1395,1396,
/
#
# 84 PHE HN 84 PHE HA 3.301
&rst
ixpk= 0, nxpk= 0, iat=1232,1234, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 84 PHE HA 83 GLN HN 5.247
&rst
ixpk= 0, nxpk= 0, iat=1234,1215, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, /
#
# 84 PHE HA 85 LYS HN 4.178
&rst
ixpk= 0, nxpk= 0, iat=1234,1252, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, /
#
# 84 PHE HA 87 ALA HN 4.247999999999999
&rst
ixpk= 0, nxpk= 0, iat=1234,1284, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, /
#
# 84 PHE HA 84 PHE HE2 4.949
&rst
ixpk= 0, nxpk= 0, iat=1234,1246, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, /
#
# 84 PHE HA 84 PHE HD2 3.593
&rst
ixpk= 0, nxpk= 0, iat=1234,1248, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, /
#
# 84 PHE HB* 84 PHE HB* 3.114
#This appears to be self-referential: ignoring
#
# 84 PHE HB* 108 LEU HD1* 5.205
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1=1236,1237,
igr2=1566,1567,1568,
/
#
# 84 PHE HB* 108 LEU HD2* 4.834
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1236,1237,
igr2=1566,1567,1568,
/
#
# 84 PHE HB* 24 LEU HD2* 4.801
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1236,1237,
igr2= 347, 348, 349,
/
#
# 84 PHE HB* 84 PHE HD2 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1236,1237,
/
#
# 44 GLY HN 43 ASP HA 4.681
&rst
ixpk= 0, nxpk= 0, iat= 622, 612, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, /
#
# 85 LYS HN 85 LYS HA 3.213
&rst
ixpk= 0, nxpk= 0, iat=1252,1254, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, /
#
# 85 LYS HA 88 ASN HN 4.003
&rst
ixpk= 0, nxpk= 0, iat=1254,1294, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 85 LYS HA 84 PHE HE2 4.607
&rst
ixpk= 0, nxpk= 0, iat=1254,1246, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, /
#
# 85 LYS HA 84 PHE HD2 3.6050000000000004
&rst
ixpk= 0, nxpk= 0, iat=1254,1248, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, /
#
# 85 LYS HA 84 PHE HB* 4.769
&rst
ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1236,1237,
/
#
# 85 LYS HA 85 LYS HE2 3.476
&rst
ixpk= 0, nxpk= 0, iat=1254,1265, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, /
#
# 75 GLU HB3 72 ASP HN 4.502000000000001
&rst
ixpk= 0, nxpk= 0, iat=1104,1043, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 20 GLY HN 19 ASP HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 282, 274, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, /
#
# 20 GLY HN 18 LYS HB2 5.386
&rst
ixpk= 0, nxpk= 0, iat= 282, 252, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, /
#
# 20 GLY HN 22 ILE HD1* 5.324999999999999
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 316, 317, 318,
/
#
# 98 ARG HB3 98 ARG HA 3.099
&rst
ixpk= 0, nxpk= 0, iat=1427,1424, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, /
#
# 98 ARG HB3 98 ARG HD2 3.6710000000000003
&rst
ixpk= 0, nxpk= 0, iat=1427,1432, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, /
#
# 86 ALA HA 85 LYS HB2 4.28
&rst
ixpk= 0, nxpk= 0, iat=1276,1256, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, /
#
# 86 ALA HA 86 ALA HB* 2.382
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
igr2=1278,1279,1280,
/
#
# 86 ALA HN 86 ALA HA 3.052
&rst
ixpk= 0, nxpk= 0, iat=1274,1276, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, /
#
# 86 ALA HA 88 ASN HN 4.502000000000001
&rst
ixpk= 0, nxpk= 0, iat=1276,1294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 87 ALA HA 87 ALA HB* 2.625
&rst
ixpk= 0, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2=1288,1289,1290,
/
#
# 87 ALA HA 95 ILE HD1* 4.889
&rst
ixpk= 0, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1394,1395,1396,
/
#
# 87 ALA HA 105 GLY HN 5.195
&rst
ixpk= 0, nxpk= 0, iat=1286,1525, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, /
#
# 27 ALA HN 29 ALA HN 4.7
&rst
ixpk= 0, nxpk= 0, iat= 390, 419, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, /
#
# 88 ASN HA 89 PRO HD3 3.114
&rst
ixpk= 0, nxpk= 0, iat=1296,1310, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, /
#
# 88 ASN HA 89 PRO HD2 3.334
&rst
ixpk= 0, nxpk= 0, iat=1296,1309, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, /
#
# 88 ASN HA 88 ASN HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat=1296,1299, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, /
#
# 88 ASN HA 99 GLU HB3 4.207
&rst
ixpk= 0, nxpk= 0, iat=1296,1451, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, /
#
# 88 ASN HA 88 ASN HB2 3.359
&rst
ixpk= 0, nxpk= 0, iat=1296,1298, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, /
#
# 88 ASN HA 95 ILE HG1* 4.808
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1391,1392,
/
#
# 88 ASN HA 95 ILE HD1* 4.434
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1394,1395,1396,
/
#
# 88 ASN HN 88 ASN HA 3.544
&rst
ixpk= 0, nxpk= 0, iat=1294,1296, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, /
#
# 88 ASN HB2 85 LYS HA 4.704
&rst
ixpk= 0, nxpk= 0, iat=1298,1254, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, /
#
# 88 ASN HB2 88 ASN HB3 3.066
&rst
ixpk= 0, nxpk= 0, iat=1298,1299, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, /
#
# 88 ASN HB2 95 ILE HG1* 4.596
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1391,1392,
/
#
# 88 ASN HB2 95 ILE HG1* 4.543
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1391,1392,
/
#
# 88 ASN HB2 95 ILE HD1* 4.27
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1394,1395,1396,
/
#
# 82 ALA HN 81 GLU HN 3.281
&rst
ixpk= 0, nxpk= 0, iat=1205,1190, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, /
#
# 12 ALA HN 11 ILE HN 3.615
&rst
ixpk= 0, nxpk= 0, iat= 170, 151, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, /
#
# 112 ILE HA 34 ALA HA 5.09
&rst
ixpk= 0, nxpk= 0, iat=1623, 469, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, /
#
# 112 ILE HA 31 GLY HA* 3.8489999999999998
&rst
ixpk= 0, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 441, 442,
/
#
# 112 ILE HA 112 ILE HB 2.8979999999999997
&rst
ixpk= 0, nxpk= 0, iat=1623,1625, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, /
#
# 112 ILE HA 34 ALA HB* 3.184
&rst
ixpk= 0, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 471, 472, 473,
/
#
# 112 ILE HA 112 ILE HG1* 4.144
&rst
ixpk= 0, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1631,1632,
/
#
# 112 ILE HA 112 ILE HG2* 2.8
&rst
ixpk= 0, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1627,1628,1629,
/
#
# 112 ILE HA 112 ILE HD1* 4.1530000000000005
&rst
ixpk= 0, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1634,1635,1636,
/
#
# 9 VAL HN 9 VAL HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= 123, 125, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, /
#
# 112 ILE HA 31 GLY HN 4.763999999999999
&rst
ixpk= 0, nxpk= 0, iat=1623, 439, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, /
#
# 112 ILE HA 34 ALA HN 5.09
&rst
ixpk= 0, nxpk= 0, iat=1623, 467, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, /
#
# 112 ILE HA 113 ARG HN 4.367
&rst
ixpk= 0, nxpk= 0, iat=1623,1640, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, /
#
# 112 ILE HN 112 ILE HA 3.6790000000000003
&rst
ixpk= 0, nxpk= 0, iat=1621,1623, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, /
#
# 112 ILE HB 31 GLY HN 5.0120000000000005
&rst
ixpk= 0, nxpk= 0, iat=1625, 439, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, /
#
# 112 ILE HB 112 ILE HN 4.911
&rst
ixpk= 0, nxpk= 0, iat=1625,1621, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, /
#
# 68 ASP HN 70 THR HN 4.127
&rst
ixpk= 0, nxpk= 0, iat= 991,1010, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, /
#
# 101 ALA HN 102 SER HN 3.4349999999999996
&rst
ixpk= 0, nxpk= 0, iat=1480,1490, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, /
#
# 101 ALA HN 100 LEU HB3 3.7039999999999997
&rst
ixpk= 0, nxpk= 0, iat=1480,1466, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, /
#
# 112 ILE HB 34 ALA HB* 4.868
&rst
ixpk= 0, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 471, 472, 473,
/
#
# 112 ILE HB 112 ILE HG1* 4.05
&rst
ixpk= 0, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1631,1632,
/
#
# 102 SER HN 11 ILE HG2* 4.583
&rst
ixpk= 0, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 157, 158, 159,
/
#
# 112 ILE HB 112 ILE HD1* 3.438
&rst
ixpk= 0, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1634,1635,1636,
/
#
# 100 LEU HA 100 LEU HN 3.455
&rst
ixpk= 0, nxpk= 0, iat=1463,1461, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, /
#
# 100 LEU HA 105 GLY HN 4.9719999999999995
&rst
ixpk= 0, nxpk= 0, iat=1463,1525, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, /
#
# 100 LEU HA 102 SER HN 5.226
&rst
ixpk= 0, nxpk= 0, iat=1463,1490, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, /
#
# 100 LEU HA 101 ALA HN 4.356999999999999
&rst
ixpk= 0, nxpk= 0, iat=1463,1480, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, /
#
# 100 LEU HA 105 GLY HA* 3.4139999999999997
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1527,1528,
/
#
# 100 LEU HA 100 LEU HB3 3.5650000000000004
&rst
ixpk= 0, nxpk= 0, iat=1463,1466, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, /
#
# 100 LEU HA 100 LEU HG 3.548
&rst
ixpk= 0, nxpk= 0, iat=1463,1468, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, /
#
# 100 LEU HA 101 ALA HB* 5.063
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1484,1485,1486,
/
#
# 100 LEU HA 100 LEU HB2 3.314
&rst
ixpk= 0, nxpk= 0, iat=1463,1465, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, /
#
# 100 LEU HA 100 LEU HD2* 2.7800000000000002
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1474,1475,1476,
/
#
# 100 LEU HA 95 ILE HD1* 4.949
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1394,1395,1396,
/
#
# 100 LEU HB3 100 LEU HB2 3.034
&rst
ixpk= 0, nxpk= 0, iat=1466,1465, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, /
#
# 100 LEU HB2 100 LEU HG 4.172000000000001
&rst
ixpk= 0, nxpk= 0, iat=1465,1468, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, /
#
# 100 LEU HB2 100 LEU HD1* 3.315
&rst
ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1474,1475,1476,
/
#
# 100 LEU HB2 100 LEU HN 3.829
&rst
ixpk= 0, nxpk= 0, iat=1465,1461, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, /
#
# 100 LEU HB2 101 ALA HN 5.146
&rst
ixpk= 0, nxpk= 0, iat=1465,1480, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, /
#
# 100 LEU HD2* 109 VAL HN 4.617
&rst
ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1474,1475,1476,
/
#
# 100 LEU HD2* 101 ALA HN 4.346
&rst
ixpk= 0, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1474,1475,1476,
/
#
# 100 LEU HD2* 109 VAL HB 4.627000000000001
&rst
ixpk= 0, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1474,1475,1476,
/
#
# 100 LEU HD2* 100 LEU HB3 3.3600000000000003
&rst
ixpk= 0, nxpk= 0, iat= -1,1466, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1474,1475,1476,
/
#
# 100 LEU HD2* 100 LEU HG 2.793
&rst
ixpk= 0, nxpk= 0, iat= -1,1468, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr1=1474,1475,1476,
/
#
# 100 LEU HD2* 100 LEU HD2* 1.507
#This appears to be self-referential: ignoring
#
# 100 LEU HD2* 109 VAL HA 4.941
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1474,1475,1476,
/
#
# 26 GLU HN 26 GLU HA 3.412
&rst
ixpk= 0, nxpk= 0, iat= 375, 377, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, /
#
# 26 GLU HA 29 ALA HN 3.989
&rst
ixpk= 0, nxpk= 0, iat= 377, 419, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, /
#
# 49 LYS HN 49 LYS HA 2.928
&rst
ixpk= 0, nxpk= 0, iat= 684, 686, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, /
#
# 49 LYS HA 52 LYS HN 3.7960000000000003
&rst
ixpk= 0, nxpk= 0, iat= 686, 740, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, /
#
# 98 ARG HB3 99 GLU HG2 4.9879999999999995
&rst
ixpk= 0, nxpk= 0, iat=1427,1453, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, /
#
# 99 GLU HA 99 GLU HG2 3.19
&rst
ixpk= 0, nxpk= 0, iat=1448,1453, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, /
#
# 99 GLU HN 99 GLU HA 3.3840000000000003
&rst
ixpk= 0, nxpk= 0, iat=1446,1448, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, /
#
# 103 PRO HA 104 ALA HN 5.146
&rst
ixpk= 0, nxpk= 0, iat=1511,1515, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, /
#
# 103 PRO HA 106 SER HN 3.955
&rst
ixpk= 0, nxpk= 0, iat=1511,1532, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, /
#
# 103 PRO HA 105 GLY HN 5.236
&rst
ixpk= 0, nxpk= 0, iat=1511,1525, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, /
#
# 103 PRO HA 103 PRO HB2 2.908
&rst
ixpk= 0, nxpk= 0, iat=1511,1508, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, /
#
# 103 PRO HA 103 PRO HG2 3.758
&rst
ixpk= 0, nxpk= 0, iat=1511,1505, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, /
#
# 103 PRO HA 102 SER HA 4.926
&rst
ixpk= 0, nxpk= 0, iat=1511,1492, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, /
#
# 104 ALA HB* 105 GLY HN 3.782
&rst
ixpk= 0, nxpk= 0, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1519,1520,1521,
/
#
# 104 ALA HB* 105 GLY HA* 5.037
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1519,1520,1521,
igr2=1527,1528,
/
#
# 104 ALA HB* 103 PRO HB2 4.897
&rst
ixpk= 0, nxpk= 0, iat= -1,1508, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1519,1520,1521,
/
#
# 104 ALA HB* 103 PRO HG2 4.638
&rst
ixpk= 0, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1519,1520,1521,
/
#
# 100 LEU HD2* 105 GLY HA* 4.607
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1474,1475,1476,
igr2=1527,1528,
/
#
# 105 GLY HA* 107 ALA HN 5.117
&rst
ixpk= 0, nxpk= 0, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1527,1528,
/
#
# 105 GLY HN 106 SER HA 5.205
&rst
ixpk= 0, nxpk= 0, iat=1525,1534, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, /
#
# 106 SER HA 110 ASN HN 4.627000000000001
&rst
ixpk= 0, nxpk= 0, iat=1534,1588, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, /
#
# 106 SER HA 107 ALA HN 3.876
&rst
ixpk= 0, nxpk= 0, iat=1534,1543, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, /
#
# 106 SER HA 109 VAL HB 3.061
&rst
ixpk= 0, nxpk= 0, iat=1534,1576, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, /
#
# 106 SER HA 109 VAL HG2* 3.167
&rst
ixpk= 0, nxpk= 0, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2=1582,1583,1584,
/
#
# 106 SER HA 100 LEU HD2* 5.09
&rst
ixpk= 0, nxpk= 0, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1474,1475,1476,
/
#
# 106 SER HB* 107 ALA HN 4.086
&rst
ixpk= 0, nxpk= 0, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1536,1537,
/
#
# 107 ALA HB* 107 ALA HN 2.592
&rst
ixpk= 0, nxpk= 0, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1=1547,1548,1549,
/
#
# 107 ALA HB* 107 ALA HA 2.861
&rst
ixpk= 0, nxpk= 0, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
igr1=1547,1548,1549,
/
#
# 108 LEU HA 109 VAL HA 4.904
&rst
ixpk= 0, nxpk= 0, iat=1555,1574, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, /
#
# 108 LEU HA 109 VAL HN 4.418
&rst
ixpk= 0, nxpk= 0, iat=1555,1572, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, /
#
# 108 LEU HN 108 LEU HA 3.4899999999999998
&rst
ixpk= 0, nxpk= 0, iat=1553,1555, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, /
#
# 108 LEU HA 108 LEU HB3 3.548
&rst
ixpk= 0, nxpk= 0, iat=1555,1558, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, /
#
# 108 LEU HA 108 LEU HB2 3.156
&rst
ixpk= 0, nxpk= 0, iat=1555,1557, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, /
#
# 108 LEU HA 111 LEU HD1* 3.5359999999999996
&rst
ixpk= 0, nxpk= 0, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1615,1616,1617,
/
#
# 108 LEU HG 108 LEU HD2* 2.8550000000000004
&rst
ixpk= 0, nxpk= 0, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1566,1567,1568,
/
#
# 108 LEU HG 108 LEU HB3 4.0969999999999995
&rst
ixpk= 0, nxpk= 0, iat=1560,1558, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, /
#
# 108 LEU HG 108 LEU HA 4.875
&rst
ixpk= 0, nxpk= 0, iat=1560,1555, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, /
#
# 109 VAL HA 109 VAL HB 3.63
&rst
ixpk= 0, nxpk= 0, iat=1574,1576, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, /
#
# 109 VAL HA 109 VAL HG2* 2.661
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=1582,1583,1584,
/
#
# 109 VAL HA 112 ILE HG1* 3.196
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1631,1632,
/
#
# 109 VAL HA 112 ILE HD1* 3.7459999999999996
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1634,1635,1636,
/
#
# 109 VAL HN 109 VAL HA 3.643
&rst
ixpk= 0, nxpk= 0, iat=1572,1574, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, /
#
# 109 VAL HA 110 ASN HN 4.538
&rst
ixpk= 0, nxpk= 0, iat=1574,1588, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, /
#
# 112 ILE HN 109 VAL HA 3.721
&rst
ixpk= 0, nxpk= 0, iat=1621,1574, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, /
#
# 109 VAL HA 111 LEU HN 4.716
&rst
ixpk= 0, nxpk= 0, iat=1574,1602, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, /
#
# 110 ASN HA 109 VAL HG1* 3.637
&rst
ixpk= 0, nxpk= 0, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1578,1579,1580,
/
#
# 110 ASN HA 109 VAL HB 4.861
&rst
ixpk= 0, nxpk= 0, iat=1590,1576, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, /
#
# 110 ASN HA 110 ASN HB3 2.731
&rst
ixpk= 0, nxpk= 0, iat=1590,1593, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, /
#
# 110 ASN HN 110 ASN HA 3.109
&rst
ixpk= 0, nxpk= 0, iat=1588,1590, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, /
#
# 110 ASN HA 111 LEU HN 4.112
&rst
ixpk= 0, nxpk= 0, iat=1590,1602, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, /
#
# 111 LEU HA 111 LEU HB3 3.294
&rst
ixpk= 0, nxpk= 0, iat=1604,1607, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, /
#
# 111 LEU HA 111 LEU HB2 3.213
&rst
ixpk= 0, nxpk= 0, iat=1604,1606, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, /
#
# 111 LEU HA 112 ILE HN 4.2669999999999995
&rst
ixpk= 0, nxpk= 0, iat=1604,1621, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, /
#
# 111 LEU HA 111 LEU HN 3.62
&rst
ixpk= 0, nxpk= 0, iat=1604,1602, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, /
#
# 111 LEU HA 76 TYR HE1 4.264
&rst
ixpk= 0, nxpk= 0, iat=1604,1124, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, /
#
# 111 LEU HA 111 LEU HD2* 2.7199999999999998
&rst
ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 7.77,
igr2=1615,1616,1617,
/
#
# 95 ILE HG1* 87 ALA HB* 5.291
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1=1391,1392,
igr2=1288,1289,1290,
/
#
# 95 ILE HG1* 95 ILE HG1* 2.811
#This appears to be self-referential: ignoring
#
# 95 ILE HG1* 84 PHE HE2 5.136
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1391,1392,
/
#
# 81 GLU HB3 80 VAL HG1* 4.0760000000000005
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1180,1181,1182,
/
#
# 80 VAL HG1* 111 LEU HB3 3.351
&rst
ixpk= 0, nxpk= 0, iat= -1,1607, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1180,1181,1182,
/
#
# 80 VAL HG1* 111 LEU HB2 3.2520000000000002
&rst
ixpk= 0, nxpk= 0, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1180,1181,1182,
/
#
# 38 LEU HD1* 46 LEU HG 3.672
&rst
ixpk= 0, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 544, 545, 546,
/
#
# 80 VAL HG1* 81 GLU HN 4.232
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1180,1181,1182,
/
#
# 80 VAL HG1* 78 ALA HN 4.9190000000000005
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1180,1181,1182,
/
#
# 80 VAL HG1* 79 ALA HN 4.459
&rst
ixpk= 0, nxpk= 0, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1180,1181,1182,
/
#
# 80 VAL HG1* 111 LEU HN 5.247
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1180,1181,1182,
/
#
# 80 VAL HG2* 27 ALA HB* 3.167
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1184,1185,1186,
igr2= 394, 395, 396,
/
#
# 80 VAL HG2* 80 VAL HG1* 1.602
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 5.81,
igr1=1184,1185,1186,
igr2=1180,1181,1182,
/
#
# 80 VAL HG2* 112 ILE HD1* 4.2379999999999995
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1184,1185,1186,
igr2=1634,1635,1636,
/
#
# 80 VAL HG2* 80 VAL HA 3.184
&rst
ixpk= 0, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1184,1185,1186,
/
#
# 80 VAL HG2* 84 PHE HB* 4.681
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1184,1185,1186,
igr2=1236,1237,
/
#
# 80 VAL HG2* 80 VAL HB 2.9250000000000003
&rst
ixpk= 0, nxpk= 0, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1=1184,1185,1186,
/
#
# 80 VAL HG2* 84 PHE HN 4.964
&rst
ixpk= 0, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1184,1185,1186,
/
#
# 80 VAL HG2* 81 GLU HN 3.979
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1184,1185,1186,
/
#
# 80 VAL HG2* 84 PHE HD2 4.9879999999999995
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1184,1185,1186,
/
#
# 29 ALA HA 31 GLY HN 4.745
&rst
ixpk= 0, nxpk= 0, iat= 421, 439, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, /
#
# 34 ALA HB* 34 ALA HN 2.933
&rst
ixpk= 0, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 471, 472, 473,
/
#
# 29 ALA HB* 29 ALA HN 2.725
&rst
ixpk= 0, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr1= 423, 424, 425,
/
#
# 30 ALA HN 29 ALA HB* 3.114
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 423, 424, 425,
/
#
# 29 ALA HB* 14 PHE HE2 4.617
&rst
ixpk= 0, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 423, 424, 425,
/
#
# 29 ALA HB* 30 ALA HA 4.2669999999999995
&rst
ixpk= 0, nxpk= 0, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 423, 424, 425,
/
#
# 21 THR HA 20 GLY HN 4.868
&rst
ixpk= 0, nxpk= 0, iat= 291, 282, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, /
#
# 21 THR HA 22 ILE HN 2.9109999999999996
&rst
ixpk= 0, nxpk= 0, iat= 291, 303, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, /
#
# 21 THR HN 21 THR HA 3.819
&rst
ixpk= 0, nxpk= 0, iat= 289, 291, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, /
#
# 21 THR HA 96 ASP HA 3.625
&rst
ixpk= 0, nxpk= 0, iat= 291,1402, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, /
#
# 21 THR HA 21 THR HB 2.908
&rst
ixpk= 0, nxpk= 0, iat= 291, 293, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, /
#
# 21 THR HA 96 ASP HB3 5.054
&rst
ixpk= 0, nxpk= 0, iat= 291,1405, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, /
#
# 21 THR HA 96 ASP HB2 4.763999999999999
&rst
ixpk= 0, nxpk= 0, iat= 291,1404, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, /
#
# 22 ILE HB 21 THR HA 4.3309999999999995
&rst
ixpk= 0, nxpk= 0, iat= 307, 291, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, /
#
# 21 THR HA 21 THR HG2* 2.864
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
igr2= 295, 296, 297,
/
#
# 94 THR HB 94 THR HA 3.2520000000000002
&rst
ixpk= 0, nxpk= 0, iat=1371,1369, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, /
#
# 21 THR HB 22 ILE HD1* 4.383
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 316, 317, 318,
/
#
# 18 LYS HN 17 ASP HA 4.057
&rst
ixpk= 0, nxpk= 0, iat= 248, 238, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, /
#
# 10 ASP HA 10 ASP HB3 4.827
&rst
ixpk= 0, nxpk= 0, iat= 141, 144, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, /
#
# 111 LEU HD2* 112 ILE HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1615,1616,1617,
/
#
# 111 LEU HD2* 111 LEU HN 3.983
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1615,1616,1617,
/
#
# 111 LEU HD2* 79 ALA HB* 3.6550000000000002
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1615,1616,1617,
igr2=1168,1169,1170,
/
#
# 111 LEU HD2* 111 LEU HB2 3.276
&rst
ixpk= 0, nxpk= 0, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1615,1616,1617,
/
#
# 111 LEU HD2* 111 LEU HD1* 1.4909999999999999
#This appears to be self-referential: ignoring
#
# 111 LEU HD2* 110 ASN HB3 4.623
&rst
ixpk= 0, nxpk= 0, iat= -1,1593, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1615,1616,1617,
/
#
# 111 LEU HD2* 111 LEU HG 2.769
&rst
ixpk= 0, nxpk= 0, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1=1615,1616,1617,
/
#
# 95 ILE HD1* 96 ASP HN 5.108
&rst
ixpk= 0, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1394,1395,1396,
/
#
# 95 ILE HD1* 88 ASN HN 5.146
&rst
ixpk= 0, nxpk= 0, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1394,1395,1396,
/
#
# 95 ILE HD1* 84 PHE HE2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1394,1395,1396,
/
#
# 95 ILE HD1* 84 PHE HD2 3.843
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1394,1395,1396,
/
#
# 95 ILE HD1* 84 PHE HB* 4.9190000000000005
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1394,1395,1396,
igr2=1236,1237,
/
#
# 95 ILE HD1* 108 LEU HB3 4.394
&rst
ixpk= 0, nxpk= 0, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1394,1395,1396,
/
#
# 95 ILE HD1* 87 ALA HB* 3.0260000000000002
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1394,1395,1396,
igr2=1288,1289,1290,
/
#
# 95 ILE HD1* 100 LEU HD1* 2.665
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1394,1395,1396,
igr2=1474,1475,1476,
/
#
# 95 ILE HG1* 95 ILE HD1* 3.3320000000000003
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1391,1392,
igr2=1394,1395,1396,
/
#
# 95 ILE HD1* 95 ILE HG1* 3.315
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1394,1395,1396,
igr2=1391,1392,
/
#
# 88 ASN HA 95 ILE HD1* 4.889
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1394,1395,1396,
/
#
# 95 ILE HD1* 105 GLY HA* 4.788
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1394,1395,1396,
igr2=1527,1528,
/
#
# 95 ILE HD1* 88 ASN HB3 4.426
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1394,1395,1396,
/
#
# 75 GLU HB3 75 GLU HG3 4.349
&rst
ixpk= 0, nxpk= 0, iat=1104,1107, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, /
#
# 75 GLU HB3 75 GLU HB3 3.22
#This appears to be self-referential: ignoring
#
# 75 GLU HB3 71 LEU HB3 5.029
&rst
ixpk= 0, nxpk= 0, iat=1104,1029, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, /
#
# 75 GLU HB3 71 LEU HD2* 4.687
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1037,1038,1039,
/
#
# 95 ILE HB 95 ILE HA 4.665
&rst
ixpk= 0, nxpk= 0, iat=1385,1383, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, /
#
# 95 ILE HB 95 ILE HD1* 3.7880000000000003
&rst
ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1394,1395,1396,
/
#
# 95 ILE HG1* 95 ILE HB 3.818
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1391,1392,
/
#
# 95 ILE HB 95 ILE HG1* 4.199
&rst
ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1391,1392,
/
#
# 94 THR HA 95 ILE HB 4.934
&rst
ixpk= 0, nxpk= 0, iat=1369,1385, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, /
#
# 95 ILE HB 22 ILE HN 4.5520000000000005
&rst
ixpk= 0, nxpk= 0, iat=1385, 303, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, /
#
# 96 ASP HN 95 ILE HB 5.268
&rst
ixpk= 0, nxpk= 0, iat=1400,1385, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, /
#
# 108 LEU HB2 109 VAL HN 5.003
&rst
ixpk= 0, nxpk= 0, iat=1557,1572, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 108 LEU HN 108 LEU HB2 4.2010000000000005
&rst
ixpk= 0, nxpk= 0, iat=1553,1557, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, /
#
# 108 LEU HB2 108 LEU HB3 3.376
&rst
ixpk= 0, nxpk= 0, iat=1557,1558, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, /
#
# 108 LEU HB2 83 GLN HB3 4.317
&rst
ixpk= 0, nxpk= 0, iat=1557,1220, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, /
#
# 108 LEU HB2 108 LEU HG 3.8739999999999997
&rst
ixpk= 0, nxpk= 0, iat=1557,1560, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, /
#
# 108 LEU HB2 108 LEU HD1* 4.104
&rst
ixpk= 0, nxpk= 0, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1566,1567,1568,
/
#
# 108 LEU HB2 108 LEU HD2* 3.886
&rst
ixpk= 0, nxpk= 0, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1566,1567,1568,
/
#
# 111 LEU HB2 112 ILE HN 5.165
&rst
ixpk= 0, nxpk= 0, iat=1606,1621, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, /
#
# 111 LEU HB2 76 TYR HN 5.247
&rst
ixpk= 0, nxpk= 0, iat=1606,1114, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, /
#
# 111 LEU HB2 111 LEU HB3 3.052
&rst
ixpk= 0, nxpk= 0, iat=1606,1607, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, /
#
# 80 VAL HG1* 111 LEU HB2 3.678
&rst
ixpk= 0, nxpk= 0, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1180,1181,1182,
/
#
# 111 LEU HD2* 111 LEU HB2 3.386
&rst
ixpk= 0, nxpk= 0, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1615,1616,1617,
/
#
# 52 LYS HA 49 LYS HN 4.5920000000000005
&rst
ixpk= 0, nxpk= 0, iat= 742, 684, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, /
#
# 61 LYS HA 63 LEU HN 4.307
&rst
ixpk= 0, nxpk= 0, iat= 878, 920, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, /
#
# 61 LYS HN 61 LYS HA 2.947
&rst
ixpk= 0, nxpk= 0, iat= 876, 878, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, /
#
# 61 LYS HA 64 ASP HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 878, 939, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, /
#
# 61 LYS HA 64 ASP HB3 3.22
&rst
ixpk= 0, nxpk= 0, iat= 878, 944, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, /
#
# 61 LYS HA 61 LYS HB2 2.524
&rst
ixpk= 0, nxpk= 0, iat= 878, 880, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, /
#
# 74 LYS HB2 72 ASP HB3 4.064
&rst
ixpk= 0, nxpk= 0, iat=1081,1048, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, /
#
# 68 ASP HA 65 PRO HD2 5.003
&rst
ixpk= 0, nxpk= 0, iat= 993, 952, r1= 1.30, r2= 1.80, r3= 6.00, r4= 7.50, /
#
# 68 ASP HA 68 ASP HB3 2.661
&rst
ixpk= 0, nxpk= 0, iat= 993, 996, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, /
#
# 18 LYS HA 19 ASP HB3 4.882
&rst
ixpk= 0, nxpk= 0, iat= 250, 275, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, /
#
# 18 LYS HA 19 ASP HB2 4.757
&rst
ixpk= 0, nxpk= 0, iat= 250, 274, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, /
#
# 18 LYS HA 18 LYS HB2 2.708
&rst
ixpk= 0, nxpk= 0, iat= 250, 252, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, /
#
# 18 LYS HA 18 LYS HG2 2.851
&rst
ixpk= 0, nxpk= 0, iat= 250, 255, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, /
#
# 19 ASP HN 18 LYS HA 3.5829999999999997
&rst
ixpk= 0, nxpk= 0, iat= 270, 250, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, /
#
# 18 LYS HN 18 LYS HA 2.713
&rst
ixpk= 0, nxpk= 0, iat= 248, 250, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, /
#
# 42 LYS HG2 42 LYS HB2 2.811
&rst
ixpk= 0, nxpk= 0, iat= 595, 592, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, /
#
# 18 LYS HG2 18 LYS HD2 2.523
&rst
ixpk= 0, nxpk= 0, iat= 255, 258, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, /
#
# 18 LYS HE2 98 ARG HA 3.8710000000000004
&rst
ixpk= 0, nxpk= 0, iat= 261,1424, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, /
#
# 18 LYS HE2 98 ARG HN 4.882
&rst
ixpk= 0, nxpk= 0, iat= 261,1422, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, /
#
# 18 LYS HE2 96 ASP HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 261,1404, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, /
#
# 18 LYS HE2 103 PRO HG2 4.107
&rst
ixpk= 0, nxpk= 0, iat= 261,1505, r1= 1.30, r2= 1.80, r3= 6.11, r4= 7.61, /
#
# 10 ASP HB3 10 ASP HB2 3.0429999999999997
&rst
ixpk= 0, nxpk= 0, iat= 144, 143, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, /
#
# 10 ASP HB3 109 VAL HG2* 4.5520000000000005
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1582,1583,1584,
/
#
# 10 ASP HB3 112 ILE HG1* 4.303
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1631,1632,
/
#
# 75 GLU HB3 75 GLU HA 3.4019999999999997
&rst
ixpk= 0, nxpk= 0, iat=1104,1101, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, /
#
# 75 GLU HA 75 GLU HG2 2.673
&rst
ixpk= 0, nxpk= 0, iat=1101,1106, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, /
#
# 75 GLU HA 78 ALA HB* 2.625
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2=1158,1159,1160,
/
#
# 75 GLU HA 71 LEU HD2* 4.069
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1037,1038,1039,
/
#
# 75 GLU HA 76 TYR HN 4.25
&rst
ixpk= 0, nxpk= 0, iat=1101,1114, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, /
#
# 75 GLU HN 75 GLU HA 3.346
&rst
ixpk= 0, nxpk= 0, iat=1099,1101, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, /
#
# 52 LYS HA 54 ARG HN 4.247999999999999
&rst
ixpk= 0, nxpk= 0, iat= 742, 769, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, /
#
# 75 GLU HA 78 ALA HN 3.9739999999999998
&rst
ixpk= 0, nxpk= 0, iat=1101,1154, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, /
#
# 75 GLU HG3 75 GLU HN 3.9029999999999996
&rst
ixpk= 0, nxpk= 0, iat=1107,1099, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, /
#
# 75 GLU HG2 75 GLU HN 4.276
&rst
ixpk= 0, nxpk= 0, iat=1106,1099, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, /
#
# 75 GLU HA 75 GLU HG3 3.778
&rst
ixpk= 0, nxpk= 0, iat=1101,1107, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, /
#
# 75 GLU HG3 75 GLU HG2 2.869
&rst
ixpk= 0, nxpk= 0, iat=1107,1106, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, /
#
# 75 GLU HG2 75 GLU HB3 3.614
&rst
ixpk= 0, nxpk= 0, iat=1106,1104, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, /
#
# 75 GLU HG2 74 LYS HB2 4.607
&rst
ixpk= 0, nxpk= 0, iat=1106,1081, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, /
#
# 76 TYR HN 76 TYR HA 3.452
&rst
ixpk= 0, nxpk= 0, iat=1114,1116, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, /
#
# 76 TYR HA 77 LEU HN 4.135999999999999
&rst
ixpk= 0, nxpk= 0, iat=1116,1135, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, /
#
# 76 TYR HA 80 VAL HN 5.054
&rst
ixpk= 0, nxpk= 0, iat=1116,1174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, /
#
# 76 TYR HA 79 ALA HN 3.84
&rst
ixpk= 0, nxpk= 0, iat=1116,1164, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, /
#
# 76 TYR HA 76 TYR HD1 3.1189999999999998
&rst
ixpk= 0, nxpk= 0, iat=1116,1122, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, /
#
# 76 TYR HA 76 TYR HE1 4.709
&rst
ixpk= 0, nxpk= 0, iat=1116,1124, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, /
#
# 76 TYR HA 76 TYR HB3 3.123
&rst
ixpk= 0, nxpk= 0, iat=1116,1119, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, /
#
# 76 TYR HA 35 PHE HB* 5.175
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 481, 482,
/
#
# 76 TYR HA 75 GLU HB3 5.215
&rst
ixpk= 0, nxpk= 0, iat=1116,1104, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, /
#
# 76 TYR HA 79 ALA HB* 3.1189999999999998
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1168,1169,1170,
/
#
# 76 TYR HA 71 LEU HD1* 3.59
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1037,1038,1039,
/
#
# 76 TYR HA 71 LEU HD2* 3.5629999999999997
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1037,1038,1039,
/
#
# 76 TYR HA 111 LEU HD2* 5.09
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1615,1616,1617,
/
#
# 76 TYR HB3 76 TYR HD1 3.5759999999999996
&rst
ixpk= 0, nxpk= 0, iat=1119,1122, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, /
#
# 108 LEU HG 108 LEU HN 5.279
&rst
ixpk= 0, nxpk= 0, iat=1560,1553, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, /
#
# 51 LEU HD2* 51 LEU HN 3.981
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 734, 735, 736,
/
#
# 55 VAL HG1* 62 LYS HN 4.648
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 799, 800, 801,
/
#
# 29 ALA HN 29 ALA HA 3.134
&rst
ixpk= 0, nxpk= 0, iat= 419, 421, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, /
#
# 78 ALA HN 78 ALA HA 3.184
&rst
ixpk= 0, nxpk= 0, iat=1154,1156, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, /
#
# 78 ALA HA 82 ALA HN 3.8840000000000003
&rst
ixpk= 0, nxpk= 0, iat=1156,1205, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, /
#
# 81 GLU HB3 78 ALA HA 2.864
&rst
ixpk= 0, nxpk= 0, iat=1195,1156, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, /
#
# 78 ALA HA 78 ALA HB* 2.263
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,
igr2=1158,1159,1160,
/
#
# 11 ILE HG1* 11 ILE HG2* 2.842
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 161, 162,
igr2= 157, 158, 159,
/
#
# 11 ILE HG1* 11 ILE HD1* 3.226
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 161, 162,
igr2= 164, 165, 166,
/
#
# 11 ILE HG1* 11 ILE HN 4.704
&rst
ixpk= 0, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 161, 162,
/
#
# 12 ALA HB* 10 ASP HA 4.563
&rst
ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 174, 175, 176,
/
#
# 12 ALA HB* 16 PRO HD2 5.175
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 174, 175, 176,
/
#
# 12 ALA HB* 11 ILE HG2* 3.777
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 174, 175, 176,
igr2= 157, 158, 159,
/
#
# 12 ALA HB* 12 ALA HN 2.7849999999999997
&rst
ixpk= 0, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1= 174, 175, 176,
/
#
# 12 ALA HB* 13 ALA HN 3.569
&rst
ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 174, 175, 176,
/
#
# 13 ALA HB* 13 ALA HB* 1.468
#This appears to be self-referential: ignoring
#
# 14 PHE HA 14 PHE HB* 3.4770000000000003
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 194, 195,
/
#
# 14 PHE HB* 14 PHE HA 3.0700000000000003
&rst
ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1= 194, 195,
/
#
# 14 PHE HA 22 ILE HD1* 4.164
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 316, 317, 318,
/
#
# 28 LEU HN 28 LEU HA 3.0010000000000003
&rst
ixpk= 0, nxpk= 0, iat= 400, 402, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 28 LEU HA 29 ALA HN 3.831
&rst
ixpk= 0, nxpk= 0, iat= 402, 419, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, /
#
# 77 LEU HA 31 GLY HA* 4.003
&rst
ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 441, 442,
/
#
# 28 LEU HA 24 LEU HD2* 4.834
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 347, 348, 349,
/
#
# 19 ASP HN 19 ASP HA 3.575
&rst
ixpk= 0, nxpk= 0, iat= 270, 272, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, /
#
# 19 ASP HA 20 GLY HN 4.183
&rst
ixpk= 0, nxpk= 0, iat= 272, 282, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, /
#
# 19 ASP HA 18 LYS HA 4.949
&rst
ixpk= 0, nxpk= 0, iat= 272, 250, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, /
#
# 19 ASP HA 19 ASP HB3 2.851
&rst
ixpk= 0, nxpk= 0, iat= 272, 275, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, /
#
# 19 ASP HA 19 ASP HB2 2.851
&rst
ixpk= 0, nxpk= 0, iat= 272, 274, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, /
#
# 15 ASP HB2 15 ASP HA 3.0429999999999997
&rst
ixpk= 0, nxpk= 0, iat= 214, 212, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, /
#
# 15 ASP HA 22 ILE HG1* 4.617
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 313, 314,
/
#
# 15 ASP HA 22 ILE HD1* 4.52
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 316, 317, 318,
/
#
# 15 ASP HA 16 PRO HD3 2.869
&rst
ixpk= 0, nxpk= 0, iat= 212, 224, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, /
#
# 15 ASP HA 14 PHE HN 5.184
&rst
ixpk= 0, nxpk= 0, iat= 212, 190, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, /
#
# 17 ASP HN 15 ASP HA 4.222
&rst
ixpk= 0, nxpk= 0, iat= 236, 212, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, /
#
# 39 ASP HN 39 ASP HA 3.4240000000000004
&rst
ixpk= 0, nxpk= 0, iat= 550, 552, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, /
#
# 15 ASP HB3 15 ASP HA 3.2520000000000002
&rst
ixpk= 0, nxpk= 0, iat= 215, 212, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, /
#
# 26 GLU HB3 26 GLU HA 3.47
&rst
ixpk= 0, nxpk= 0, iat= 380, 377, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, /
#
# 62 LYS HA 62 LYS HB2 2.317
&rst
ixpk= 0, nxpk= 0, iat= 900, 902, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, /
#
# 30 ALA HB* 30 ALA HA 2.5300000000000002
&rst
ixpk= 0, nxpk= 0, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr1= 433, 434, 435,
/
#
# 33 ALA HB* 30 ALA HA 3.0130000000000003
&rst
ixpk= 0, nxpk= 0, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr1= 461, 462, 463,
/
#
# 31 GLY HN 30 ALA HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= 439, 431, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, /
#
# 30 ALA HN 30 ALA HA 3.173
&rst
ixpk= 0, nxpk= 0, iat= 429, 431, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, /
#
# 30 ALA HA 33 ALA HN 3.643
&rst
ixpk= 0, nxpk= 0, iat= 431, 457, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, /
#
# 30 ALA HA 14 PHE HE2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 431, 204, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, /
#
# 38 LEU HB2 38 LEU HB3 3.094
&rst
ixpk= 0, nxpk= 0, iat= 535, 536, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, /
#
# 38 LEU HB2 38 LEU HD1* 3.862
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 544, 545, 546,
/
#
# 38 LEU HB2 38 LEU HD2* 3.828
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 544, 545, 546,
/
#
# 38 LEU HB2 46 LEU HD1* 4.648
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 656, 657, 658,
/
#
# 38 LEU HB2 46 LEU HD2* 4.045
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 656, 657, 658,
/
#
# 38 LEU HB2 38 LEU HA 4.128
&rst
ixpk= 0, nxpk= 0, iat= 535, 533, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, /
#
# 39 ASP HA 40 PRO HD3 2.993
&rst
ixpk= 0, nxpk= 0, iat= 552, 564, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, /
#
# 39 ASP HA 40 PRO HD2 3.379
&rst
ixpk= 0, nxpk= 0, iat= 552, 563, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, /
#
# 39 ASP HA 39 ASP HB2 3.208
&rst
ixpk= 0, nxpk= 0, iat= 552, 554, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, /
#
# 39 ASP HA 39 ASP HB3 3.173
&rst
ixpk= 0, nxpk= 0, iat= 552, 555, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, /
#
# 39 ASP HB2 39 ASP HB3 2.895
&rst
ixpk= 0, nxpk= 0, iat= 554, 555, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, /
#
# 42 LYS HB2 42 LYS HE2 4.442
&rst
ixpk= 0, nxpk= 0, iat= 592, 601, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, /
#
# 18 LYS HB2 18 LYS HD2 2.3569999999999998
&rst
ixpk= 0, nxpk= 0, iat= 252, 258, r1= 1.30, r2= 1.80, r3= 2.36, r4= 2.86, /
#
# 42 LYS HB2 42 LYS HA 3.7319999999999998
&rst
ixpk= 0, nxpk= 0, iat= 592, 590, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, /
#
# 46 LEU HA 46 LEU HB2 3.129
&rst
ixpk= 0, nxpk= 0, iat= 645, 647, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, /
#
# 46 LEU HA 51 LEU HD2* 4.801
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2= 734, 735, 736,
/
#
# 46 LEU HA 46 LEU HD1* 4.178
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 656, 657, 658,
/
#
# 47 ASP HB3 47 ASP HA 3.4349999999999996
&rst
ixpk= 0, nxpk= 0, iat= 667, 664, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, /
#
# 47 ASP HB3 47 ASP HB2 2.683
&rst
ixpk= 0, nxpk= 0, iat= 667, 666, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, /
#
# 51 LEU HB3 51 LEU HB2 3.123
&rst
ixpk= 0, nxpk= 0, iat= 726, 725, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, /
#
# 51 LEU HB3 51 LEU HD1* 3.7939999999999996
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 734, 735, 736,
/
#
# 51 LEU HB3 51 LEU HD2* 3.763
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 734, 735, 736,
/
#
# 51 LEU HB3 51 LEU HA 4.321
# &rst
# ixpk= 0, nxpk= 0, iat= 726, 723, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, /
#
# 51 LEU HB3 55 VAL HN 4.801
&rst
ixpk= 0, nxpk= 0, iat= 726, 793, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, /
#
# 51 LEU HB3 51 LEU HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 726, 721, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, /
#
# 38 LEU HA 38 LEU HB3 2.861
&rst
ixpk= 0, nxpk= 0, iat= 533, 536, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, /
#
# 58 ALA HA 58 ALA HB* 2.354
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,
igr2= 839, 840, 841,
/
#
# 58 ALA HA 55 VAL HG1* 4.814
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2= 799, 800, 801,
/
#
# 50 GLU HG3 50 GLU HA 3.061
&rst
ixpk= 0, nxpk= 0, iat= 714, 708, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, /
#
# 50 GLU HA 46 LEU HD2* 4.904
&rst
ixpk= 0, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 656, 657, 658,
/
#
# 98 ARG HA 103 PRO HG2 2.6130000000000004
&rst
ixpk= 0, nxpk= 0, iat=1424,1505, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, /
#
# 62 LYS HA 59 ASP HA 4.525
&rst
ixpk= 0, nxpk= 0, iat= 900, 847, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, /
#
# 82 ALA HB* 82 ALA HA 2.285
&rst
ixpk= 0, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,
igr1=1209,1210,1211,
/
#
# 111 LEU HD2* 79 ALA HB* 3.0429999999999997
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1615,1616,1617,
igr2=1168,1169,1170,
/
#
# 79 ALA HB* 79 ALA HA 2.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,
igr1=1168,1169,1170,
/
#
# 80 VAL HA 79 ALA HB* 4.29
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1168,1169,1170,
/
#
# 104 ALA HB* 104 ALA HA 2.597
&rst
ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=1519,1520,1521,
/
#
# 15 ASP HN 12 ALA HA 3.646
&rst
ixpk= 0, nxpk= 0, iat= 210, 172, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, /
#
# 73 LYS HB2 73 LYS HN 3.901
&rst
ixpk= 0, nxpk= 0, iat=1059,1055, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, /
#
# 73 LYS HB2 73 LYS HG2 2.851
&rst
ixpk= 0, nxpk= 0, iat=1059,1062, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, /
#
# 95 ILE HG2* 22 ILE HN 5.072
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1387,1388,1389,
/
#
# 95 ILE HG2* 99 GLU HA 4.577
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1387,1388,1389,
/
#
# 95 ILE HG2* 100 LEU HA 3.663
&rst
ixpk= 0, nxpk= 0, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1387,1388,1389,
/
#
# 95 ILE HG2* 99 GLU HB3 3.104
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1=1387,1388,1389,
/
#
# 95 ILE HB 95 ILE HG2* 3.0010000000000003
&rst
ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1387,1388,1389,
/
#
# 95 ILE HG2* 100 LEU HB2 3.381
&rst
ixpk= 0, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1387,1388,1389,
/
#
# 95 ILE HG2* 95 ILE HG1* 3.535
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1387,1388,1389,
igr2=1391,1392,
/
#
# 95 ILE HG2* 95 ILE HD1* 2.861
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1387,1388,1389,
igr2=1394,1395,1396,
/
#
# 71 LEU HD1* 76 TYR HB3 4.9879999999999995
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1037,1038,1039,
/
#
# 71 LEU HD1* 64 ASP HB2 4.543
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1037,1038,1039,
/
#
# 71 LEU HD1* 71 LEU HB3 3.387
&rst
ixpk= 0, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1037,1038,1039,
/
#
# 71 LEU HD1* 111 LEU HG 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1037,1038,1039,
/
#
# 71 LEU HD1* 111 LEU HB2 3.3320000000000003
&rst
ixpk= 0, nxpk= 0, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1037,1038,1039,
/
#
# 71 LEU HD1* 71 LEU HD2* 2.58
#This appears to be self-referential: ignoring
#
# 71 LEU HD1* 76 TYR HD1 3.483
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1037,1038,1039,
/
#
# 71 LEU HD1* 76 TYR HE1 4.709
&rst
ixpk= 0, nxpk= 0, iat= -1,1124, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1037,1038,1039,
/
#
# 71 LEU HD1* 71 LEU HA 4.525
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1037,1038,1039,
/
#
# 71 LEU HD2* 64 ASP HB3 3.608
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 5.33, r4= 6.83,
igr1=1037,1038,1039,
/
#
# 75 GLU HB3 71 LEU HD2* 3.8529999999999998
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr2=1037,1038,1039,
/
#
# 71 LEU HD2* 64 ASP HB2 2.8480000000000003
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr1=1037,1038,1039,
/
#
# 71 LEU HD2* 71 LEU HD2* 1.58
#This appears to be self-referential: ignoring
#
# 38 LEU HD1* 46 LEU HD1* 4.9190000000000005
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 544, 545, 546,
igr2= 656, 657, 658,
/
#
# 64 ASP HA 71 LEU HD2* 3.4859999999999998
&rst
ixpk= 0, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1037,1038,1039,
/
#
# 71 LEU HD2* 79 ALA HN 4.665
&rst
ixpk= 0, nxpk= 0, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1037,1038,1039,
/
#
# 71 LEU HD2* 76 TYR HD1 4.834
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1037,1038,1039,
/
#
# 71 LEU HD2* 71 LEU HN 4.596
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1037,1038,1039,
/
#
# 72 ASP HN 71 LEU HD2* 4.088
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1037,1038,1039,
/
#
# 46 LEU HD1* 50 GLU HB3 5.136
&rst
ixpk= 0, nxpk= 0, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 656, 657, 658,
/
#
# 71 LEU HB3 46 LEU HD1* 4.4670000000000005
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 656, 657, 658,
/
#
# 38 LEU HB2 46 LEU HD1* 3.872
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 656, 657, 658,
/
#
# 46 LEU HD1* 38 LEU HD2* 3.3499999999999996
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 656, 657, 658,
igr2= 544, 545, 546,
/
#
# 46 LEU HD1* 46 LEU HD1* 1.739
#This appears to be self-referential: ignoring
#
# 46 LEU HA 46 LEU HD1* 4.39
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 656, 657, 658,
/
#
# 35 PHE HA 46 LEU HD1* 3.526
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 656, 657, 658,
/
#
# 46 LEU HD1* 35 PHE HB* 4.814
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 656, 657, 658,
igr2= 481, 482,
/
#
# 46 LEU HD1* 76 TYR HD1 3.286
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 656, 657, 658,
/
#
# 46 LEU HD1* 76 TYR HE1 4.139
&rst
ixpk= 0, nxpk= 0, iat= -1,1124, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 656, 657, 658,
/
#
# 46 LEU HD1* 46 LEU HN 4.801
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 656, 657, 658,
/
#
# 63 LEU HD1* 63 LEU HA 3.972
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 933, 934, 935,
/
#
# 63 LEU HD1* 59 ASP HB2 4.045
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 933, 934, 935,
/
#
# 63 LEU HD1* 63 LEU HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 933, 934, 935,
/
#
# 64 ASP HN 63 LEU HD2* 4.949
&rst
ixpk= 0, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 933, 934, 935,
/
#
# 63 LEU HD2* 62 LYS HG2 2.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
igr1= 933, 934, 935,
/
#
# 51 LEU HD1* 55 VAL HB 2.828
&rst
ixpk= 0, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 734, 735, 736,
/
#
# 51 LEU HD1* 54 ARG HB2 2.5869999999999997
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 4.11, r4= 5.61,
igr1= 734, 735, 736,
/
#
# 108 LEU HD1* 100 LEU HD1* 2.192
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
igr1=1566,1567,1568,
igr2=1474,1475,1476,
/
#
# 51 LEU HD1* 55 VAL HA 4.406
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 734, 735, 736,
/
#
# 51 LEU HD1* 51 LEU HA 2.774
# &rst
# ixpk= 0, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.33, r4= 6.83,
# igr1= 734, 735, 736,
/
#
# 51 LEU HD1* 55 VAL HN 4.328
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 734, 735, 736,
/
#
# 51 LEU HB3 51 LEU HD2* 2.972
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 734, 735, 736,
/
#
# 51 LEU HD2* 60 LEU HG 3.365
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 734, 735, 736,
/
#
# 51 LEU HD2* 47 ASP HA 5.184
&rst
ixpk= 0, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 734, 735, 736,
/
#
# 51 LEU HD2* 51 LEU HD1* 2.373
#This appears to be self-referential: ignoring
#
# 51 LEU HD2* 51 LEU HD2* 1.514
#This appears to be self-referential: ignoring
#
# 51 LEU HD2* 51 LEU HA 4.141
&rst
ixpk= 0, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 734, 735, 736,
/
#
# 111 LEU HD1* 111 LEU HA 4.516
&rst
ixpk= 0, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1615,1616,1617,
/
#
# 111 LEU HD1* 80 VAL HA 3.319
&rst
ixpk= 0, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1=1615,1616,1617,
/
#
# 111 LEU HD1* 111 LEU HD1* 1.632
#This appears to be self-referential: ignoring
#
# 46 LEU HD1* 38 LEU HD2* 4.511
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 656, 657, 658,
igr2= 544, 545, 546,
/
#
# 111 LEU HD1* 108 LEU HN 4.889
&rst
ixpk= 0, nxpk= 0, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1615,1616,1617,
/
#
# 108 LEU HD1* 109 VAL HN 2.8890000000000002
&rst
ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr1=1566,1567,1568,
/
#
# 108 LEU HD1* 109 VAL HA 2.9219999999999997
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1=1566,1567,1568,
/
#
# 108 LEU HD1* 108 LEU HB3 3.504
&rst
ixpk= 0, nxpk= 0, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1566,1567,1568,
/
#
# 38 LEU HD2* 38 LEU HA 4.3100000000000005
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 544, 545, 546,
/
#
# 35 PHE HA 38 LEU HD2* 3.726
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 544, 545, 546,
/
#
# 38 LEU HD2* 37 LYS HN 5.184
&rst
ixpk= 0, nxpk= 0, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 544, 545, 546,
/
#
# 38 LEU HD2* 76 TYR HD1 5.099
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 544, 545, 546,
/
#
# 38 LEU HD2* 76 TYR HE1 4.353
&rst
ixpk= 0, nxpk= 0, iat= -1,1124, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 544, 545, 546,
/
#
# 38 LEU HD2* 38 LEU HB3 2.7049999999999996
&rst
ixpk= 0, nxpk= 0, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr1= 544, 545, 546,
/
#
# 38 LEU HB2 38 LEU HD2* 3.3120000000000003
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 544, 545, 546,
/
#
# 38 LEU HD2* 38 LEU HD2* 1.6070000000000002
#This appears to be self-referential: ignoring
#
# 46 LEU HD1* 38 LEU HD2* 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 656, 657, 658,
igr2= 544, 545, 546,
/
#
# 58 ALA HA 61 LYS HE2 4.317
&rst
ixpk= 0, nxpk= 0, iat= 837, 889, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, /
#
# 38 LEU HG 35 PHE HA 3.2849999999999997
&rst
ixpk= 0, nxpk= 0, iat= 538, 479, r1= 1.30, r2= 1.80, r3= 4.29, r4= 5.79, /
#
# 54 ARG HG2 51 LEU HA 4.167
&rst
ixpk= 0, nxpk= 0, iat= 776, 723, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, /
#
# 62 LYS HG2 59 ASP HB2 7.542
&rst
ixpk= 0, nxpk= 0, iat= 905, 849, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04, /
#
# 37 LYS HG2 8 LYS HD2 2.1310000000000002
&rst
ixpk= 0, nxpk= 0, iat= 516, 111, r1= 1.30, r2= 1.80, r3= 2.13, r4= 2.63, /
#
# 37 LYS HG2 8 LYS HE2 3.3120000000000003
&rst
ixpk= 0, nxpk= 0, iat= 516, 114, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, /
#
# 37 LYS HG2 37 LYS HA 3.425
&rst
ixpk= 0, nxpk= 0, iat= 516, 511, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, /
#
# 62 LYS HN 62 LYS HG2 4.211
&rst
ixpk= 0, nxpk= 0, iat= 898, 905, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, /
#
# 63 LEU HD1* 64 ASP HN 5.063
&rst
ixpk= 0, nxpk= 0, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 933, 934, 935,
/
#
# 11 ILE HG1* 100 LEU HG 2.456
&rst
ixpk= 0, nxpk= 0, iat= -1,1468, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1= 161, 162,
/
#
# 11 ILE HG1* 22 ILE HG1* 2.6500000000000004
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1= 161, 162,
igr2= 313, 314,
/
#
# 22 ILE HG1* 11 ILE HA 5.099
&rst
ixpk= 0, nxpk= 0, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 313, 314,
/
#
# 14 PHE HB* 22 ILE HG1* 3.981
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 194, 195,
igr2= 313, 314,
/
#
# 26 GLU HB3 22 ILE HG1* 3.348
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 313, 314,
/
#
# 22 ILE HG1* 14 PHE HB* 3.348
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 313, 314,
igr2= 194, 195,
/
#
# 22 ILE HG1* 26 GLU HG3 4.511
&rst
ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 313, 314,
/
#
# 22 ILE HG1* 22 ILE HB 2.966
&rst
ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 313, 314,
/
#
# 22 ILE HG1* 22 ILE HG2* 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 313, 314,
igr2= 309, 310, 311,
/
#
# 22 ILE HG1* 22 ILE HD1* 2.7539999999999996
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1= 313, 314,
igr2= 316, 317, 318,
/
#
# 35 PHE HA 46 LEU HD2* 4.158
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 656, 657, 658,
/
#
# 46 LEU HD2* 39 ASP HB3 3.6050000000000004
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 656, 657, 658,
/
#
# 46 LEU HD2* 39 ASP HB2 3.109
&rst
ixpk= 0, nxpk= 0, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 656, 657, 658,
/
#
# 46 LEU HD2* 38 LEU HB3 3.2590000000000003
&rst
ixpk= 0, nxpk= 0, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 656, 657, 658,
/
#
# 38 LEU HB2 46 LEU HD2* 3.396
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 656, 657, 658,
/
#
# 46 LEU HD2* 51 LEU HD2* 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 656, 657, 658,
igr2= 734, 735, 736,
/
#
# 46 LEU HD1* 46 LEU HD2* 2.774
#This appears to be self-referential: ignoring
#
# 46 LEU HD2* 46 LEU HD2* 1.729
#This appears to be self-referential: ignoring
#
# 46 LEU HA 46 LEU HD2* 2.908
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 656, 657, 658,
/
#
# 46 LEU HD2* 38 LEU HA 4.422000000000001
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 656, 657, 658,
/
#
# 47 ASP HN 46 LEU HD2* 4.216
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 656, 657, 658,
/
#
# 46 LEU HD2* 45 THR HN 4.434
&rst
ixpk= 0, nxpk= 0, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 656, 657, 658,
/
#
# 39 ASP HN 46 LEU HD2* 4.213
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 656, 657, 658,
/
#
# 46 LEU HN 46 LEU HD2* 4.775
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 656, 657, 658,
/
#
# 63 LEU HD1* 59 ASP HB3 4.612
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 933, 934, 935,
/
#
# 45 THR HA 72 ASP HB3 4.632
&rst
ixpk= 0, nxpk= 0, iat= 631,1048, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, /
#
# 45 THR HA 46 LEU HB3 4.757
&rst
ixpk= 0, nxpk= 0, iat= 631, 648, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, /
#
# 45 THR HG2* 45 THR HA 2.972
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 635, 636, 637,
/
#
# 45 THR HA 45 THR HB 3.061
&rst
ixpk= 0, nxpk= 0, iat= 631, 633, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, /
#
# 59 ASP HB3 59 ASP HB2 2.726
&rst
ixpk= 0, nxpk= 0, iat= 850, 849, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, /
#
# 59 ASP HB3 55 VAL HG1* 3.7560000000000002
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 799, 800, 801,
/
#
# 63 LEU HD1* 59 ASP HB3 4.612
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 933, 934, 935,
/
#
# 59 ASP HB3 60 LEU HB3 4.8469999999999995
&rst
ixpk= 0, nxpk= 0, iat= 850, 862, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, /
#
# 40 PRO HA 42 LYS HN 4.2829999999999995
&rst
ixpk= 0, nxpk= 0, iat= 572, 588, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, /
#
# 72 ASP HB2 73 LYS HN 4.102
&rst
ixpk= 0, nxpk= 0, iat=1047,1055, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, /
#
# 72 ASP HA 72 ASP HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat=1045,1047, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, /
#
# 45 THR HG2* 72 ASP HB2 3.856
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 635, 636, 637,
/
#
# 73 LYS HB2 72 ASP HB3 4.455
&rst
ixpk= 0, nxpk= 0, iat=1059,1048, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, /
#
# 73 LYS HB2 74 LYS HN 4.596
&rst
ixpk= 0, nxpk= 0, iat=1059,1077, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, /
#
# 107 ALA HB* 83 GLN HB3 4.394
&rst
ixpk= 0, nxpk= 0, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1547,1548,1549,
/
#
# 83 GLN HB3 83 GLN HB2 2.549
&rst
ixpk= 0, nxpk= 0, iat=1220,1219, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, /
#
# 83 GLN HB3 83 GLN HG2 3.471
&rst
ixpk= 0, nxpk= 0, iat=1220,1222, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, /
#
# 83 GLN HB3 108 LEU HA 4.192
&rst
ixpk= 0, nxpk= 0, iat=1220,1555, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, /
#
# 56 SER HB* 56 SER HN 4.3309999999999995
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 813, 814,
/
#
# 56 SER HB* 57 GLU HN 4.257
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 813, 814,
/
#
# 50 GLU HB3 45 THR HN 4.949
&rst
ixpk= 0, nxpk= 0, iat= 711, 629, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, /
#
# 50 GLU HB3 50 GLU HN 3.985
&rst
ixpk= 0, nxpk= 0, iat= 711, 706, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, /
#
# 50 GLU HB3 47 ASP HN 4.751
&rst
ixpk= 0, nxpk= 0, iat= 711, 662, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, /
#
# 50 GLU HB3 45 THR HN 5.127000000000001
&rst
ixpk= 0, nxpk= 0, iat= 711, 629, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, /
#
# 50 GLU HB3 46 LEU HA 4.751
&rst
ixpk= 0, nxpk= 0, iat= 711, 645, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, /
#
# 50 GLU HB3 50 GLU HA 4.128
&rst
ixpk= 0, nxpk= 0, iat= 711, 708, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, /
#
# 50 GLU HB3 38 LEU HD1* 3.945
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 544, 545, 546,
/
#
# 50 GLU HB3 46 LEU HD2* 4.587
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 656, 657, 658,
/
#
# 50 GLU HB3 46 LEU HB2 5.117
&rst
ixpk= 0, nxpk= 0, iat= 711, 647, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, /
#
# 11 ILE HG2* 12 ALA HA 4.007
&rst
ixpk= 0, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 157, 158, 159,
/
#
# 15 ASP HB3 15 ASP HB2 2.905
&rst
ixpk= 0, nxpk= 0, iat= 215, 214, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, /
#
# 15 ASP HB2 22 ILE HD1* 4.017
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 316, 317, 318,
/
#
# 26 GLU HG3 14 PHE HB* 4.911
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 194, 195,
/
#
# 28 LEU HB3 28 LEU HG 2.993
&rst
ixpk= 0, nxpk= 0, iat= 405, 407, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, /
#
# 65 PRO HD3 66 ASP HN 4.801
&rst
ixpk= 0, nxpk= 0, iat= 953, 965, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, /
#
# 48 ALA HA 57 GLU HG3 5.08
&rst
ixpk= 0, nxpk= 0, iat= 676, 828, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, /
#
# 51 LEU HB3 48 ALA HA 3.5759999999999996
&rst
ixpk= 0, nxpk= 0, iat= 726, 676, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, /
#
# 48 ALA HA 51 LEU HB2 3.173
&rst
ixpk= 0, nxpk= 0, iat= 676, 725, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, /
#
# 48 ALA HA 48 ALA HB* 2.498
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 678, 679, 680,
/
#
# 97 ALA HA 96 ASP HA 4.949
&rst
ixpk= 0, nxpk= 0, iat=1414,1402, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, /
#
# 48 ALA HA 47 ASP HB3 4.814
&rst
ixpk= 0, nxpk= 0, iat= 676, 667, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, /
#
# 62 LYS HA 63 LEU HN 3.7649999999999997
&rst
ixpk= 0, nxpk= 0, iat= 900, 920, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, /
#
# 55 VAL HG1* 60 LEU HB3 4.434
&rst
ixpk= 0, nxpk= 0, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 799, 800, 801,
/
#
# 55 VAL HG1* 54 ARG HB2 3.824
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 799, 800, 801,
/
#
# 55 VAL HG1* 58 ALA HB* 4.123
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 799, 800, 801,
igr2= 839, 840, 841,
/
#
# 55 VAL HG1* 63 LEU HD1* 2.673
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 799, 800, 801,
igr2= 933, 934, 935,
/
#
# 21 THR HG2* 22 ILE HN 3.968
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 295, 296, 297,
/
#
# 70 THR HG2* 71 LEU HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1016,1017,1018,
/
#
# 70 THR HG2* 70 THR HN 3.927
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1016,1017,1018,
/
#
# 70 THR HG2* 71 LEU HA 4.529
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 7.44, r4= 8.94,
igr1=1016,1017,1018,
/
#
# 96 ASP HB3 95 ILE HG2* 5.184
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1387,1388,1389,
/
#
# 105 GLY HA* 108 LEU HB3 4.511
&rst
ixpk= 0, nxpk= 0, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1527,1528,
/
#
# 105 GLY HA* 87 ALA HB* 3.809
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1527,1528,
igr2=1288,1289,1290,
/
#
# 104 ALA HA 105 GLY HA* 5.431
&rst
ixpk= 0, nxpk= 0, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1527,1528,
/
#
# 105 GLY HA* 103 PRO HG2 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1527,1528,
/
#
# 65 PRO HD2 66 ASP HN 5.577
&rst
ixpk= 0, nxpk= 0, iat= 952, 965, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, /
#
# 65 PRO HD2 64 ASP HN 5.195
&rst
ixpk= 0, nxpk= 0, iat= 952, 939, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, /
#
# 65 PRO HD2 65 PRO HA 4.808
&rst
ixpk= 0, nxpk= 0, iat= 952, 961, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, /
#
# 65 PRO HD2 65 PRO HD3 2.7199999999999998
&rst
ixpk= 0, nxpk= 0, iat= 952, 953, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, /
#
# 65 PRO HD2 65 PRO HB2 3.6580000000000004
&rst
ixpk= 0, nxpk= 0, iat= 952, 958, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, /
#
# 65 PRO HD2 65 PRO HG2 3.2520000000000002
&rst
ixpk= 0, nxpk= 0, iat= 952, 955, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, /
#
# 89 PRO HD2 88 ASN HN 4.5520000000000005
&rst
ixpk= 0, nxpk= 0, iat=1309,1294, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, /
#
# 89 PRO HD3 88 ASN HN 4.5809999999999995
&rst
ixpk= 0, nxpk= 0, iat=1310,1294, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, /
#
# 89 PRO HD2 89 PRO HD3 2.817
&rst
ixpk= 0, nxpk= 0, iat=1309,1310, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, /
#
# 65 PRO HD2 68 ASP HB3 4.9719999999999995
&rst
ixpk= 0, nxpk= 0, iat= 952, 996, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, /
#
# 65 PRO HD3 64 ASP HN 5.5489999999999995
&rst
ixpk= 0, nxpk= 0, iat= 953, 939, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, /
#
# 65 PRO HD3 65 PRO HA 5.258
&rst
ixpk= 0, nxpk= 0, iat= 953, 961, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, /
#
# 65 PRO HD2 71 LEU HD2* 5.063
&rst
ixpk= 0, nxpk= 0, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1037,1038,1039,
/
#
# 65 PRO HD3 75 GLU HB3 4.9959999999999996
&rst
ixpk= 0, nxpk= 0, iat= 953,1104, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 65 PRO HD3 71 LEU HD2* 4.7379999999999995
&rst
ixpk= 0, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1037,1038,1039,
/
#
# 40 PRO HD3 41 ASP HN 4.926
&rst
ixpk= 0, nxpk= 0, iat= 564, 576, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, /
#
# 40 PRO HD3 39 ASP HN 5.291
&rst
ixpk= 0, nxpk= 0, iat= 564, 550, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, /
#
# 16 PRO HD2 15 ASP HN 5.054
&rst
ixpk= 0, nxpk= 0, iat= 223, 210, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, /
#
# 40 PRO HD2 41 ASP HN 5.516
&rst
ixpk= 0, nxpk= 0, iat= 563, 576, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, /
#
# 40 PRO HD2 40 PRO HA 5.205
&rst
ixpk= 0, nxpk= 0, iat= 563, 572, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, /
#
# 40 PRO HD3 38 LEU HB2 5.640000000000001
&rst
ixpk= 0, nxpk= 0, iat= 564, 535, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, /
#
# 40 PRO HD3 46 LEU HD2* 5.514
&rst
ixpk= 0, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 656, 657, 658,
/
#
# 40 PRO HD2 40 PRO HD3 2.7880000000000003
&rst
ixpk= 0, nxpk= 0, iat= 563, 564, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, /
#
# 40 PRO HD3 40 PRO HA 5.425
&rst
ixpk= 0, nxpk= 0, iat= 564, 572, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, /
#
# 16 PRO HD2 17 ASP HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= 223, 236, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, /
#
# 16 PRO HD3 15 ASP HN 5.477
&rst
ixpk= 0, nxpk= 0, iat= 224, 210, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, /
#
# 16 PRO HD3 17 ASP HN 4.757
&rst
ixpk= 0, nxpk= 0, iat= 224, 236, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, /
#
# 16 PRO HD2 15 ASP HA 3.581
&rst
ixpk= 0, nxpk= 0, iat= 223, 212, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, /
#
# 16 PRO HD2 14 PHE HA 4.827
&rst
ixpk= 0, nxpk= 0, iat= 223, 192, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, /
#
# 16 PRO HD2 16 PRO HA 4.926
&rst
ixpk= 0, nxpk= 0, iat= 223, 232, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, /
#
# 16 PRO HD2 16 PRO HD3 2.803
&rst
ixpk= 0, nxpk= 0, iat= 223, 224, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 16 PRO HD2 14 PHE HB* 4.216
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 194, 195,
/
#
# 89 PRO HD3 99 GLU HA 4.534
&rst
ixpk= 0, nxpk= 0, iat=1310,1448, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, /
#
# 65 PRO HD3 65 PRO HG2 3.265
&rst
ixpk= 0, nxpk= 0, iat= 953, 955, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, /
#
# 103 PRO HA 104 ALA HB* 5.471
&rst
ixpk= 0, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=1519,1520,1521,
/
#
# 112 ILE HG1* 113 ARG HN 5.258
&rst
ixpk= 0, nxpk= 0, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1631,1632,
/
#
# 24 LEU HD1* 24 LEU HN 4.493
&rst
ixpk= 0, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 347, 348, 349,
/
#
# 24 LEU HD1* 25 LYS HN 4.897
&rst
ixpk= 0, nxpk= 0, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 347, 348, 349,
/
#
# 24 LEU HD1* 84 PHE HD2 5.215
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 347, 348, 349,
/
#
# 24 LEU HD1* 28 LEU HA 5.921
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 347, 348, 349,
/
#
# 24 LEU HD1* 84 PHE HB* 5.703
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 347, 348, 349,
igr2=1236,1237,
/
#
# 24 LEU HD1* 24 LEU HA 3.9290000000000003
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 347, 348, 349,
/
#
# 81 GLU HG2 24 LEU HD1* 3.5429999999999997
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 347, 348, 349,
/
#
# 24 LEU HD1* 24 LEU HG 2.8890000000000002
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr1= 347, 348, 349,
/
#
# 24 LEU HD1* 24 LEU HD1* 1.464
#This appears to be self-referential: ignoring
#
# 24 LEU HD1* 24 LEU HD2* 2.688
#This appears to be self-referential: ignoring
#
# 112 ILE HG1* 112 ILE HD1* 3.461
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1631,1632,
igr2=1634,1635,1636,
/
#
# 28 LEU HN 24 LEU HD2* 4.356999999999999
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 347, 348, 349,
/
#
# 27 ALA HN 24 LEU HD2* 5.072
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 347, 348, 349,
/
#
# 81 GLU HN 24 LEU HD2* 4.751
&rst
ixpk= 0, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 347, 348, 349,
/
#
# 24 LEU HN 24 LEU HD2* 4.471
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 347, 348, 349,
/
#
# 24 LEU HD2* 84 PHE HE2 4.356999999999999
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 347, 348, 349,
/
#
# 24 LEU HD2* 84 PHE HD2 3.7039999999999997
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 347, 348, 349,
/
#
# 28 LEU HA 24 LEU HD2* 4.67
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 347, 348, 349,
/
#
# 81 GLU HA 24 LEU HD2* 3.139
&rst
ixpk= 0, nxpk= 0, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 347, 348, 349,
/
#
# 84 PHE HB* 24 LEU HD2* 3.835
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1236,1237,
igr2= 347, 348, 349,
/
#
# 24 LEU HD2* 81 GLU HG3 3.341
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 347, 348, 349,
/
#
# 81 GLU HB3 24 LEU HD2* 3.2670000000000003
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 347, 348, 349,
/
#
# 24 LEU HD2* 24 LEU HG 2.875
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1= 347, 348, 349,
/
#
# 24 LEU HG 25 LYS HA 5.324999999999999
&rst
ixpk= 0, nxpk= 0, iat= 341, 355, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, /
#
# 100 LEU HG 11 ILE HN 5.396
&rst
ixpk= 0, nxpk= 0, iat=1468, 151, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, /
#
# 24 LEU HG 24 LEU HN 5.373
&rst
ixpk= 0, nxpk= 0, iat= 341, 334, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, /
#
# 96 ASP HA 21 THR HG2* 2.961
&rst
ixpk= 0, nxpk= 0, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 295, 296, 297,
/
#
# 21 THR HG2* 20 GLY HA* 4.2669999999999995
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 295, 296, 297,
igr2= 284, 285,
/
#
# 21 THR HB 21 THR HG2* 2.683
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 295, 296, 297,
/
#
# 70 THR HG2* 70 THR HB 2.752
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1=1016,1017,1018,
/
#
# 70 THR HG2* 60 LEU HA 4.567
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1016,1017,1018,
/
#
# 70 THR HG2* 69 GLY HA* 4.572
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1016,1017,1018,
igr2=1005,1006,
/
#
# 96 ASP HB3 21 THR HG2* 3.319
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 295, 296, 297,
/
#
# 8 LYS HA 13 ALA HB* 5.46
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 184, 185, 186,
/
#
# 14 PHE HB* 11 ILE HB 5.6419999999999995
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 194, 195,
/
#
# 11 ILE HG1* 15 ASP HB2 5.877000000000001
&rst
ixpk= 0, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 161, 162,
/
#
# 65 PRO HD3 75 GLU HG3 4.4639999999999995
&rst
ixpk= 0, nxpk= 0, iat= 953,1107, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, /
#
# 11 ILE HD1* 18 LYS HN 5.486
&rst
ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 164, 165, 166,
/
#
# 11 ILE HD1* 101 ALA HN 5.4079999999999995
&rst
ixpk= 0, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 164, 165, 166,
/
#
# 16 PRO HG2 15 ASP HA 5.046
&rst
ixpk= 0, nxpk= 0, iat= 226, 212, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, /
#
# 16 PRO HG2 16 PRO HD3 3.458
&rst
ixpk= 0, nxpk= 0, iat= 226, 224, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, /
#
# 16 PRO HG2 17 ASP HN 4.383
&rst
ixpk= 0, nxpk= 0, iat= 226, 236, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, /
#
# 16 PRO HG2 16 PRO HD2 3.6260000000000003
&rst
ixpk= 0, nxpk= 0, iat= 226, 223, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, /
#
# 80 VAL HG1* 81 GLU HN 3.641
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1180,1181,1182,
/
#
# 38 LEU HD1* 38 LEU HA 2.673
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr1= 544, 545, 546,
/
#
# 38 LEU HD1* 35 PHE HB* 5.136
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 544, 545, 546,
igr2= 481, 482,
/
#
# 109 VAL HG2* 100 LEU HG 3.702
&rst
ixpk= 0, nxpk= 0, iat= -1,1468, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1582,1583,1584,
/
#
# 63 LEU HG 63 LEU HA 3.9699999999999998
&rst
ixpk= 0, nxpk= 0, iat= 927, 922, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, /
#
# 63 LEU HG 60 LEU HA 4.733
&rst
ixpk= 0, nxpk= 0, iat= 927, 859, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, /
#
# 63 LEU HG 59 ASP HB3 5.463
&rst
ixpk= 0, nxpk= 0, iat= 927, 850, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, /
#
# 63 LEU HG 68 ASP HB2 5.195
&rst
ixpk= 0, nxpk= 0, iat= 927, 995, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, /
#
# 46 LEU HD1* 76 TYR HN 5.546
&rst
ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 656, 657, 658,
/
#
# 46 LEU HD1* 35 PHE HN 5.819
&rst
ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 656, 657, 658,
/
#
# 37 LYS HB2 37 LYS HA 3.3739999999999997
&rst
ixpk= 0, nxpk= 0, iat= 513, 511, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, /
#
# 37 LYS HG2 37 LYS HB2 2.8
&rst
ixpk= 0, nxpk= 0, iat= 516, 513, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 61 LYS HG2 56 SER HB* 5.906
&rst
ixpk= 0, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 813, 814,
/
#
# 61 LYS HA 61 LYS HG2 3.998
&rst
ixpk= 0, nxpk= 0, iat= 878, 883, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 73 LYS HN 74 LYS HB2 5.461
&rst
ixpk= 0, nxpk= 0, iat=1055,1081, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, /
#
# 57 GLU HB3 56 SER HA 4.623
&rst
ixpk= 0, nxpk= 0, iat= 825, 811, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, /
#
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