NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
13042 |
1tz5   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 3 LEU HA 3 LEU QD1 6.53
&rst
ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr2= 37, 38, 39,
&end
#
# 3 LEU HA 3 LEU QD2 6.53
&rst
ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 41, 42, 43,
&end
#
# 3 LEU HA 4 GLU- HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 30, 47, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 4 GLU- HN 4 GLU- HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 47, 51, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 4 GLU- HN 4 GLU- HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat= 47, 52, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 4 GLU- HN 4 GLU- QB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 51, 52,
&end
#
# 4 GLU- HN 4 GLU- QG 6.38
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 54, 55,
&end
#
# 5 PRO HA 6 VAL HN 3.11
&rst
ixpk= 0, nxpk= 0, iat= 72, 76, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 5 PRO HA 6 VAL QG1 6.53
&rst
ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 82, 83, 84,
&end
#
# 5 PRO HA 6 VAL QG2 6.53
&rst
ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 86, 87, 88,
&end
#
# 6 VAL HN 6 VAL HB 3.89
&rst
ixpk= 0, nxpk= 0, iat= 76, 80, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 6 VAL HA 7 TYR HN 3.33
&rst
ixpk= 0, nxpk= 0, iat= 78, 92, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 6 VAL HB 7 TYR HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 80, 92, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 6 VAL QG1 7 TYR HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 82, 83, 84,
&end
#
# 6 VAL QG2 7 TYR HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 86, 87, 88,
&end
#
# 7 TYR HN 7 TYR HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 92, 96, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 7 TYR HN 7 TYR HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat= 92, 97, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 7 TYR HB2 8 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 96, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 TYR HB2 8 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 96, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 TYR HB3 8 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 97, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 TYR HB3 8 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 97, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 TYR QD 8 PRO HD2 7.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 100, 109,
&end
#
# 7 TYR QD 8 PRO HD3 7.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 100, 109,
&end
#
# 8 PRO HA 9 GLY HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 9 GLY HN 10 ASP- HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 127, 134, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 10 ASP- HN 10 ASP- HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 134, 138, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 10 ASP- HN 10 ASP- HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 134, 139, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 10 ASP- HN 10 ASP- QB 3.79
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 138, 139,
&end
#
# 10 ASP- HN 11 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 134, 146, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASP- HA 11 ASN HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 136, 146, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 11 ASN HN 11 ASN HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 146, 150, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 11 ASN HN 11 ASN HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat= 146, 151, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 11 ASN HN 11 ASN QB 3.75
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 150, 151,
&end
#
# 11 ASN HN 12 ALA HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 146, 160, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 11 ASN HA 12 ALA HN 3.42
&rst
ixpk= 0, nxpk= 0, iat= 148, 160, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 12 ALA HA 13 THR HN 3.05
&rst
ixpk= 0, nxpk= 0, iat= 162, 170, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 12 ALA QB 14 PRO QD 7.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.98, r4=10.48,
igr1= 164, 165, 166,
igr2= 185, 186,
&end
#
# 12 ALA QB 16 GLN QB 7.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.98, r4=10.48,
igr1= 164, 165, 166,
igr2= 217, 218,
&end
#
# 12 ALA QB 16 GLN QG 7.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.98, r4=10.48,
igr1= 164, 165, 166,
igr2= 220, 221,
&end
#
# 12 ALA QB 17 MET HG2 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 164, 165, 166,
&end
#
# 12 ALA QB 17 MET HG3 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 164, 165, 166,
&end
#
# 13 THR HN 13 THR HB 4.07
&rst
ixpk= 0, nxpk= 0, iat= 170, 174, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 13 THR HN 14 PRO HD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 170, 185, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 13 THR HN 14 PRO HD3 5.34
&rst
ixpk= 0, nxpk= 0, iat= 170, 186, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 13 THR HN 14 PRO QD 5.07
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 185, 186,
&end
#
# 13 THR HA 14 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 172, 188, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 THR HA 14 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 172, 189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 THR HA 14 PRO HD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 172, 185, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 13 THR HA 14 PRO HD3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 172, 186, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 13 THR HA 14 PRO QD 3.73
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 185, 186,
&end
#
# 13 THR HA 16 GLN QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 217, 218,
&end
#
# 13 THR HB 14 PRO HD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 174, 185, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 13 THR HB 14 PRO HD3 4.14
&rst
ixpk= 0, nxpk= 0, iat= 174, 186, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 13 THR HB 14 PRO QD 3.96
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 185, 186,
&end
#
# 13 THR QG2 14 PRO HD2 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 176, 177, 178,
&end
#
# 13 THR QG2 14 PRO HD3 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 176, 177, 178,
&end
#
# 13 THR QG2 16 GLN HN 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 176, 177, 178,
&end
#
# 13 THR QG2 16 GLN QB 7.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.98, r4=10.48,
igr1= 176, 177, 178,
igr2= 217, 218,
&end
#
# 13 THR QG2 16 GLN QG 7.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.98, r4=10.48,
igr1= 176, 177, 178,
igr2= 220, 221,
&end
#
# 13 THR QG2 17 MET HG2 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 176, 177, 178,
&end
#
# 13 THR QG2 17 MET HG3 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 176, 177, 178,
&end
#
# 14 PRO HA 17 MET HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 194, 230, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 14 PRO HA 17 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 194, 237, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 PRO HA 17 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 194, 238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLU- HN 15 GLU- HB2 3.27
&rst
ixpk= 0, nxpk= 0, iat= 198, 202, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 15 GLU- HN 15 GLU- HB3 3.27
&rst
ixpk= 0, nxpk= 0, iat= 198, 203, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 15 GLU- HN 15 GLU- QG 6.38
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 205, 206,
&end
#
# 15 GLU- HN 16 GLN HN 3.39
&rst
ixpk= 0, nxpk= 0, iat= 198, 213, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 15 GLU- HN 17 MET HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 198, 230, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 15 GLU- HA 16 GLN HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 200, 213, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 15 GLU- HA 18 ALA HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= 200, 247, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 15 GLU- HA 18 ALA QB 4.45
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 251, 252, 253,
&end
#
# 16 GLN HN 16 GLN HB2 3.21
&rst
ixpk= 0, nxpk= 0, iat= 213, 217, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 16 GLN HN 16 GLN HB3 3.21
&rst
ixpk= 0, nxpk= 0, iat= 213, 218, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 16 GLN HN 16 GLN QG 5.60
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 220, 221,
&end
#
# 16 GLN HN 17 MET HN 2.52
&rst
ixpk= 0, nxpk= 0, iat= 213, 230, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, &end
#
# 16 GLN HA 19 ARG+ HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 215, 257, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 16 GLN HA 19 ARG+ HB2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 215, 261, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 16 GLN HA 19 ARG+ HB3 4.29
&rst
ixpk= 0, nxpk= 0, iat= 215, 262, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 16 GLN HA 19 ARG+ QB 3.98
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 261, 262,
&end
#
# 16 GLN HA 20 TYR HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 215, 281, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 16 GLN QG 20 TYR QE 8.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.72, r4=11.22,
igr1= 220, 221,
igr2= 291, 296,
&end
#
# 17 MET HN 17 MET HB2 3.21
&rst
ixpk= 0, nxpk= 0, iat= 230, 234, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 17 MET HN 17 MET HB3 3.21
&rst
ixpk= 0, nxpk= 0, iat= 230, 235, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 17 MET HN 17 MET QB 3.02
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 234, 235,
&end
#
# 17 MET HN 17 MET HG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 230, 237, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 17 MET HN 17 MET HG3 4.69
&rst
ixpk= 0, nxpk= 0, iat= 230, 238, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 17 MET HN 17 MET QG 4.46
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 237, 238,
&end
#
# 17 MET HN 18 ALA HN 3.17
&rst
ixpk= 0, nxpk= 0, iat= 230, 247, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 17 MET HN 18 ALA QB 5.69
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 251, 252, 253,
&end
#
# 17 MET HN 19 ARG+ HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= 230, 257, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 17 MET HA 20 TYR HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= 232, 281, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 17 MET HA 20 TYR HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 232, 285, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 17 MET HA 20 TYR HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 232, 286, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 17 MET HA 20 TYR QB 3.68
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 285, 286,
&end
#
# 17 MET HA 20 TYR QD 7.64
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr2= 289, 298,
&end
#
# 17 MET HA 20 TYR QE 7.63
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2= 291, 296,
&end
#
# 17 MET HA 21 TYR HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 232, 302, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 17 MET HA 21 TYR QD 7.64
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr2= 310, 319,
&end
#
# 17 MET HB2 18 ALA HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= 234, 247, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 17 MET HB3 18 ALA HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= 235, 247, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 17 MET QB 18 ALA HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 234, 235,
&end
#
# 17 MET QB 20 TYR QD 8.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23,
igr1= 234, 235,
igr2= 289, 298,
&end
#
# 17 MET QB 20 TYR QE 8.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.72, r4=11.22,
igr1= 234, 235,
igr2= 291, 296,
&end
#
# 18 ALA HN 19 ARG+ HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= 247, 257, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 18 ALA HA 19 ARG+ HN 3.39
&rst
ixpk= 0, nxpk= 0, iat= 249, 257, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 18 ALA HA 21 TYR HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 249, 302, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 18 ALA HA 21 TYR QB 4.73
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 306, 307,
&end
#
# 18 ALA HA 22 SER HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 249, 323, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 18 ALA QB 19 ARG+ QD 7.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.93, r4=10.43,
igr1= 251, 252, 253,
igr2= 267, 268,
&end
#
# 18 ALA QB 22 SER QB 7.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.98, r4=10.48,
igr1= 251, 252, 253,
igr2= 327, 328,
&end
#
# 19 ARG+ HN 19 ARG+ HB2 3.21
&rst
ixpk= 0, nxpk= 0, iat= 257, 261, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 19 ARG+ HN 19 ARG+ HB3 3.21
&rst
ixpk= 0, nxpk= 0, iat= 257, 262, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 19 ARG+ HN 19 ARG+ QB 2.96
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 261, 262,
&end
#
# 19 ARG+ HN 19 ARG+ QG 4.95
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 264, 265,
&end
#
# 19 ARG+ HN 20 TYR HN 3.11
&rst
ixpk= 0, nxpk= 0, iat= 257, 281, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 19 ARG+ HA 19 ARG+ QD 6.35
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2= 267, 268,
&end
#
# 19 ARG+ HA 21 TYR QD 7.58
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01,
igr2= 310, 319,
&end
#
# 19 ARG+ HA 22 SER HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 259, 323, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 19 ARG+ HA 22 SER QB 4.73
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 327, 328,
&end
#
# 19 ARG+ HB2 20 TYR HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= 261, 281, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 19 ARG+ HB3 20 TYR HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= 262, 281, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 19 ARG+ QB 20 TYR HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 261, 262,
&end
#
# 19 ARG+ QB 20 TYR QD 8.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23,
igr1= 261, 262,
igr2= 289, 298,
&end
#
# 20 TYR HN 20 TYR HB2 3.27
&rst
ixpk= 0, nxpk= 0, iat= 281, 285, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 20 TYR HN 20 TYR HB3 3.27
&rst
ixpk= 0, nxpk= 0, iat= 281, 286, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 20 TYR HN 20 TYR QB 3.04
&rst
ixpk= 0, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 285, 286,
&end
#
# 20 TYR HN 21 TYR HN 3.39
&rst
ixpk= 0, nxpk= 0, iat= 281, 302, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 20 TYR HN 22 SER HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 281, 323, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 20 TYR HA 23 ALA HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 283, 334, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 20 TYR HA 23 ALA QB 5.13
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 338, 339, 340,
&end
#
# 20 TYR HA 24 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 283, 344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 TYR HB2 21 TYR HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= 285, 302, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 20 TYR HB3 21 TYR HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= 286, 302, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 20 TYR QB 21 TYR HN 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 285, 286,
&end
#
# 21 TYR HN 22 SER HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 302, 323, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 21 TYR HA 24 LEU HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 304, 344, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 21 TYR HA 24 LEU QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 348, 349,
&end
#
# 21 TYR HA 24 LEU HG 4.57
&rst
ixpk= 0, nxpk= 0, iat= 304, 351, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 21 TYR HA 25 ARG+ HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 304, 363, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 21 TYR QB 22 SER HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 306, 307,
&end
#
# 21 TYR QD 22 SER HN 7.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 310, 319,
&end
#
# 21 TYR QD 22 SER HA 7.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 310, 319,
&end
#
# 21 TYR QD 23 ALA QB 8.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
igr1= 310, 319,
igr2= 338, 339, 340,
&end
#
# 21 TYR QD 24 LEU QD1 8.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
igr1= 310, 319,
igr2= 353, 354, 355,
&end
#
# 21 TYR QD 24 LEU QD2 8.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
igr1= 310, 319,
igr2= 357, 358, 359,
&end
#
# 21 TYR QE 24 LEU QD1 8.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.67, r4=12.17,
igr1= 312, 317,
igr2= 353, 354, 355,
&end
#
# 21 TYR QE 24 LEU QD2 8.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.67, r4=12.17,
igr1= 312, 317,
igr2= 357, 358, 359,
&end
#
# 22 SER HN 22 SER HA 2.87
&rst
ixpk= 0, nxpk= 0, iat= 323, 325, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 22 SER HN 23 ALA HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 323, 334, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 22 SER HN 24 LEU HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 323, 344, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 22 SER HA 23 ALA HN 3.58
&rst
ixpk= 0, nxpk= 0, iat= 325, 334, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 22 SER HA 25 ARG+ HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 325, 363, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 23 ALA HN 24 LEU HN 3.11
&rst
ixpk= 0, nxpk= 0, iat= 334, 344, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 23 ALA HA 26 ARG+ HN 3.42
&rst
ixpk= 0, nxpk= 0, iat= 336, 387, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 23 ALA QB 25 ARG+ HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 338, 339, 340,
&end
#
# 23 ALA QB 27 TYR QD 8.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
igr1= 338, 339, 340,
igr2= 419, 428,
&end
#
# 23 ALA QB 27 TYR QE 8.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.67, r4=12.17,
igr1= 338, 339, 340,
igr2= 421, 426,
&end
#
# 24 LEU HN 24 LEU HG 4.01
&rst
ixpk= 0, nxpk= 0, iat= 344, 351, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 24 LEU HN 24 LEU QD1 6.53
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 353, 354, 355,
&end
#
# 24 LEU HN 24 LEU QD2 6.53
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 357, 358, 359,
&end
#
# 24 LEU HA 24 LEU HG 3.39
&rst
ixpk= 0, nxpk= 0, iat= 346, 351, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 24 LEU HA 24 LEU QD1 5.57
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2= 353, 354, 355,
&end
#
# 24 LEU HA 24 LEU QD2 5.57
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2= 357, 358, 359,
&end
#
# 24 LEU HA 25 ARG+ HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= 346, 363, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 24 LEU HA 27 TYR HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 346, 411, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 24 LEU HA 27 TYR QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 415, 416,
&end
#
# 24 LEU HA 27 TYR QD 7.21
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 419, 428,
&end
#
# 24 LEU HA 27 TYR QE 7.63
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2= 421, 426,
&end
#
# 24 LEU HA 28 ILE HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 346, 432, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 24 LEU QD1 25 ARG+ HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 353, 354, 355,
&end
#
# 24 LEU QD1 25 ARG+ QD 7.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.98, r4=10.48,
igr1= 353, 354, 355,
igr2= 373, 374,
&end
#
# 24 LEU QD1 27 TYR QD 8.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
igr1= 353, 354, 355,
igr2= 419, 428,
&end
#
# 24 LEU QD2 25 ARG+ HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 357, 358, 359,
&end
#
# 24 LEU QD2 25 ARG+ QD 7.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.98, r4=10.48,
igr1= 357, 358, 359,
igr2= 373, 374,
&end
#
# 24 LEU QD2 27 TYR QD 8.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
igr1= 357, 358, 359,
igr2= 419, 428,
&end
#
# 25 ARG+ HN 25 ARG+ HB2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 363, 367, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 25 ARG+ HN 25 ARG+ HB3 3.24
&rst
ixpk= 0, nxpk= 0, iat= 363, 368, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 25 ARG+ HN 25 ARG+ QB 2.91
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2= 367, 368,
&end
#
# 25 ARG+ HN 25 ARG+ HG2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 363, 370, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 25 ARG+ HN 25 ARG+ HG3 5.44
&rst
ixpk= 0, nxpk= 0, iat= 363, 371, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 25 ARG+ HN 26 ARG+ HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 363, 387, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 25 ARG+ HA 25 ARG+ QD 6.38
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 373, 374,
&end
#
# 25 ARG+ HA 28 ILE HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 365, 432, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 25 ARG+ HA 28 ILE HB 3.21
&rst
ixpk= 0, nxpk= 0, iat= 365, 436, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 25 ARG+ HA 28 ILE QG2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 438, 439, 440,
&end
#
# 25 ARG+ HA 28 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 365, 442, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HA 28 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 365, 443, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HA 28 ILE QD1 5.91
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr2= 445, 446, 447,
&end
#
# 25 ARG+ HA 29 ASN HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 365, 451, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 25 ARG+ QB 26 ARG+ HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 367, 368,
&end
#
# 25 ARG+ QD 26 ARG+ HA 6.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 373, 374,
&end
#
# 26 ARG+ HN 26 ARG+ HB2 3.02
&rst
ixpk= 0, nxpk= 0, iat= 387, 391, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 26 ARG+ HN 26 ARG+ HB3 3.02
&rst
ixpk= 0, nxpk= 0, iat= 387, 392, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 26 ARG+ HN 26 ARG+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 387, 394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ARG+ HN 26 ARG+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 387, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ARG+ HN 26 ARG+ QG 4.90
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 394, 395,
&end
#
# 26 ARG+ HN 27 TYR HN 3.05
&rst
ixpk= 0, nxpk= 0, iat= 387, 411, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 26 ARG+ HA 26 ARG+ QD 6.38
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 397, 398,
&end
#
# 26 ARG+ HA 29 ASN HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 389, 451, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 26 ARG+ HA 29 ASN HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 389, 455, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 26 ARG+ HA 29 ASN HB3 4.04
&rst
ixpk= 0, nxpk= 0, iat= 389, 456, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 26 ARG+ HA 29 ASN QB 3.81
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 455, 456,
&end
#
# 26 ARG+ HA 30 MET HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= 389, 465, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 26 ARG+ HB2 27 TYR HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= 391, 411, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 26 ARG+ HB3 27 TYR HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= 392, 411, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 26 ARG+ QB 27 TYR HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 391, 392,
&end
#
# 27 TYR HN 28 ILE HN 3.17
&rst
ixpk= 0, nxpk= 0, iat= 411, 432, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 27 TYR HA 30 MET HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= 413, 465, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 27 TYR HA 30 MET HB2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 413, 469, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 27 TYR HA 30 MET HB3 4.26
&rst
ixpk= 0, nxpk= 0, iat= 413, 470, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 27 TYR HA 30 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 413, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 TYR HA 30 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 413, 473, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 TYR HA 30 MET QE 6.53
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 476, 477, 478,
&end
#
# 27 TYR HA 31 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 413, 482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 TYR QD 30 MET QE 8.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
igr1= 419, 428,
igr2= 476, 477, 478,
&end
#
# 27 TYR QE 28 ILE QG2 8.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.67, r4=12.17,
igr1= 421, 426,
igr2= 438, 439, 440,
&end
#
# 27 TYR QE 30 MET QE 8.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.67, r4=12.17,
igr1= 421, 426,
igr2= 476, 477, 478,
&end
#
# 27 TYR QE 31 LEU QD1 8.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.67, r4=12.17,
igr1= 421, 426,
igr2= 491, 492, 493,
&end
#
# 27 TYR QE 31 LEU QD2 8.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.67, r4=12.17,
igr1= 421, 426,
igr2= 495, 496, 497,
&end
#
# 28 ILE HN 28 ILE HB 3.05
&rst
ixpk= 0, nxpk= 0, iat= 432, 436, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 28 ILE HN 28 ILE HG12 4.32
&rst
ixpk= 0, nxpk= 0, iat= 432, 442, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 28 ILE HN 28 ILE HG13 4.32
&rst
ixpk= 0, nxpk= 0, iat= 432, 443, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 28 ILE HN 28 ILE QG1 3.94
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 442, 443,
&end
#
# 28 ILE HN 28 ILE QD1 6.53
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 445, 446, 447,
&end
#
# 28 ILE HN 29 ASN HN 3.27
&rst
ixpk= 0, nxpk= 0, iat= 432, 451, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 28 ILE HA 30 MET HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 434, 465, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 28 ILE HA 31 LEU HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 434, 482, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 28 ILE HA 31 LEU HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 434, 486, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 28 ILE HA 31 LEU HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 434, 487, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 28 ILE HA 31 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 434, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ILE HA 31 LEU QD1 6.53
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 491, 492, 493,
&end
#
# 28 ILE HA 31 LEU QD2 6.53
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 495, 496, 497,
&end
#
# 28 ILE HA 31 LEU QQD 5.98
&rst
ixpk= 0, nxpk= 0, iat= 434, 488, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 28 ILE HA 32 THR HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 434, 501, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 28 ILE HB 29 ASN HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= 436, 451, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 28 ILE QG2 29 ASN HN 6.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 438, 439, 440,
&end
#
# 28 ILE QG2 29 ASN HA 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 438, 439, 440,
&end
#
# 29 ASN HN 29 ASN HB2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 451, 455, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 29 ASN HN 29 ASN HB3 3.48
&rst
ixpk= 0, nxpk= 0, iat= 451, 456, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 29 ASN HN 29 ASN QB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 455, 456,
&end
#
# 29 ASN HN 30 MET HN 2.99
&rst
ixpk= 0, nxpk= 0, iat= 451, 465, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 29 ASN HA 31 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 453, 482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ASN HA 32 THR HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 453, 501, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 29 ASN HA 32 THR QG2 6.43
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr2= 507, 508, 509,
&end
#
# 29 ASN HB2 30 MET HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 455, 465, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 29 ASN HB3 30 MET HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 456, 465, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 29 ASN QB 30 MET HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 455, 456,
&end
#
# 30 MET HN 30 MET HB2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 465, 469, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 30 MET HN 30 MET HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 465, 470, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 30 MET HN 30 MET QB 3.26
&rst
ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 469, 470,
&end
#
# 30 MET HN 30 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 465, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 MET HN 30 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 465, 473, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 MET HN 30 MET QG 4.84
&rst
ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 472, 473,
&end
#
# 30 MET HN 31 LEU HN 3.42
&rst
ixpk= 0, nxpk= 0, iat= 465, 482, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 30 MET HN 32 THR HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 465, 501, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 30 MET HA 32 THR HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 467, 501, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 30 MET HA 33 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 467, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 MET HA 33 ARG+ QB 6.22
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2= 519, 520,
&end
#
# 30 MET HB2 31 LEU HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= 469, 482, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 30 MET HB3 31 LEU HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= 470, 482, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 31 LEU HN 31 LEU HB2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 482, 486, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 31 LEU HN 31 LEU HB3 3.33
&rst
ixpk= 0, nxpk= 0, iat= 482, 487, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 31 LEU HN 31 LEU QB 3.09
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 486, 487,
&end
#
# 31 LEU HN 31 LEU HG 3.80
&rst
ixpk= 0, nxpk= 0, iat= 482, 489, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 31 LEU HN 31 LEU QD1 6.53
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 491, 492, 493,
&end
#
# 31 LEU HN 31 LEU QD2 6.53
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 495, 496, 497,
&end
#
# 31 LEU HN 32 THR HN 3.42
&rst
ixpk= 0, nxpk= 0, iat= 482, 501, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 31 LEU HA 31 LEU HG 3.95
&rst
ixpk= 0, nxpk= 0, iat= 484, 489, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 31 LEU HA 31 LEU QD1 6.31
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr2= 491, 492, 493,
&end
#
# 31 LEU HA 31 LEU QD2 6.31
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr2= 495, 496, 497,
&end
#
# 31 LEU HA 32 THR HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= 484, 501, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 31 LEU HB2 32 THR HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 486, 501, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 31 LEU HB3 32 THR HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 487, 501, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 31 LEU QB 32 THR HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 486, 487,
&end
#
# 31 LEU HG 32 THR HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 489, 501, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 31 LEU QD1 32 THR HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 491, 492, 493,
&end
#
# 31 LEU QD2 32 THR HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 495, 496, 497,
&end
#
# 32 THR HN 32 THR HB 3.98
&rst
ixpk= 0, nxpk= 0, iat= 501, 505, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 32 THR HN 33 ARG+ HN 3.24
&rst
ixpk= 0, nxpk= 0, iat= 501, 515, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 32 THR HA 33 ARG+ HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 503, 515, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 32 THR HA 35 ARG+ QB 6.38
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 557, 558,
&end
#
# 32 THR HB 33 ARG+ HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 505, 515, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 32 THR QG2 33 ARG+ HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 507, 508, 509,
&end
#
# 33 ARG+ HN 33 ARG+ HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 515, 519, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 33 ARG+ HN 33 ARG+ HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 515, 520, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 33 ARG+ HN 33 ARG+ QB 3.29
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 519, 520,
&end
#
# 33 ARG+ HN 34 PRO QD 6.38
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 540, 541,
&end
#
# 33 ARG+ HB2 34 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 519, 540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ARG+ HB2 34 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 519, 541, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ARG+ HB3 34 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 520, 540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ARG+ HB3 34 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 520, 541, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ARG+ QB 34 PRO QD 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 519, 520,
igr2= 540, 541,
&end
#
# 33 ARG+ QG 34 PRO QD 7.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 522, 523,
igr2= 540, 541,
&end
#
# 34 PRO HA 35 ARG+ HN 3.08
&rst
ixpk= 0, nxpk= 0, iat= 549, 553, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 35 ARG+ HN 36 TYR HN 3.21
&rst
ixpk= 0, nxpk= 0, iat= 553, 577, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 35 ARG+ HA 35 ARG+ QD 6.38
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 563, 564,
&end
#
# 35 ARG+ HA 36 TYR HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 555, 577, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 36 TYR HN 36 TYR HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 577, 581, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 36 TYR HN 36 TYR HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 577, 582, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 36 TYR HN 36 TYR QB 3.67
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 581, 582,
&end
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