NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
13038 |
1tz4   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 4 LYS+ HN 4 LYS+ QB 3.77
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr2= 54, 55,
&end
#
# 4 LYS+ HN 4 LYS+ QD 6.38
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 60, 61,
&end
#
# 4 LYS+ HN 4 LYS+ QE 6.38
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 63, 64,
&end
#
# 8 PRO HA 9 GLY HN 3.05
&rst
ixpk= 0, nxpk= 0, iat= 122, 126, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 9 GLY HN 10 GLU- HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= 126, 133, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 10 GLU- HN 10 GLU- QB 3.83
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 137, 138,
&end
#
# 10 GLU- HN 11 ASP- HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= 133, 148, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 10 GLU- HA 11 ASP- HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 135, 148, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 10 GLU- HB2 11 ASP- HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 137, 148, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 10 GLU- HB3 11 ASP- HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 138, 148, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 10 GLU- QB 11 ASP- HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 137, 138,
&end
#
# 11 ASP- HN 11 ASP- HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 11 ASP- HN 11 ASP- HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat= 148, 153, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 11 ASP- HN 12 ALA HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 148, 160, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 12 ALA HA 13 PRO QD 3.48
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 171, 172,
&end
#
# 13 PRO HA 14 ALA HN 3.21
&rst
ixpk= 0, nxpk= 0, iat= 180, 184, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 13 PRO QD 14 ALA HN 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 171, 172,
&end
#
# 14 ALA HN 15 GLU- HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 184, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 ALA HN 15 GLU- HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 184, 199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 ALA HN 15 GLU- QB 5.04
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 198, 199,
&end
#
# 14 ALA HN 17 LEU QD1 6.53
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 230, 231, 232,
&end
#
# 14 ALA HN 17 LEU QD2 6.53
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 234, 235, 236,
&end
#
# 14 ALA HA 15 GLU- HN 3.14
&rst
ixpk= 0, nxpk= 0, iat= 186, 194, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 14 ALA QB 15 GLU- HA 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 188, 189, 190,
&end
#
# 15 GLU- HN 15 GLU- HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 194, 198, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 15 GLU- HN 15 GLU- HB3 3.55
&rst
ixpk= 0, nxpk= 0, iat= 194, 199, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 15 GLU- HN 15 GLU- QB 3.36
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 198, 199,
&end
#
# 15 GLU- HN 15 GLU- QG 6.38
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 201, 202,
&end
#
# 15 GLU- HN 16 ASP- HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= 194, 209, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 15 GLU- HA 16 ASP- HN 3.02
&rst
ixpk= 0, nxpk= 0, iat= 196, 209, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 15 GLU- HA 18 ALA QB 5.81
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2= 244, 245, 246,
&end
#
# 15 GLU- HB2 16 ASP- HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 198, 209, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 15 GLU- HB3 16 ASP- HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 199, 209, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 15 GLU- QB 16 ASP- HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 209, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 198, 199,
&end
#
# 15 GLU- QG 16 ASP- HN 6.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 209, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 201, 202,
&end
#
# 16 ASP- HN 16 ASP- HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 209, 213, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 16 ASP- HN 16 ASP- HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 209, 214, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 16 ASP- HN 16 ASP- QB 3.52
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 213, 214,
&end
#
# 16 ASP- HN 17 LEU HN 3.39
&rst
ixpk= 0, nxpk= 0, iat= 209, 221, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 16 ASP- HN 17 LEU QB 5.76
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 225, 226,
&end
#
# 16 ASP- HA 19 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 211, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ASP- HA 19 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 211, 255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ASP- HB2 17 LEU HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 213, 221, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 16 ASP- HB3 17 LEU HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 214, 221, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 16 ASP- QB 17 LEU HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 213, 214,
&end
#
# 17 LEU HN 17 LEU QB 3.90
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 225, 226,
&end
#
# 17 LEU HN 17 LEU HG 4.76
&rst
ixpk= 0, nxpk= 0, iat= 221, 228, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 17 LEU HN 17 LEU QD1 6.47
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr2= 230, 231, 232,
&end
#
# 17 LEU HN 17 LEU QD2 6.47
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr2= 234, 235, 236,
&end
#
# 17 LEU HN 17 LEU QQD 6.21
&rst
ixpk= 0, nxpk= 0, iat= 221, 227, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, &end
#
# 17 LEU HN 18 ALA HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= 221, 240, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 17 LEU HA 17 LEU QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 230, 231, 232,
&end
#
# 17 LEU HA 17 LEU QD2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 234, 235, 236,
&end
#
# 17 LEU HA 17 LEU QQD 4.23
&rst
ixpk= 0, nxpk= 0, iat= 223, 227, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 17 LEU HA 20 TYR HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= 223, 267, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 17 LEU HA 20 TYR HB2 3.11
&rst
ixpk= 0, nxpk= 0, iat= 223, 271, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 17 LEU HA 20 TYR HB3 3.11
&rst
ixpk= 0, nxpk= 0, iat= 223, 272, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 17 LEU HA 20 TYR QD 6.68
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 275, 284,
&end
#
# 17 LEU HA 20 TYR QE 7.63
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2= 277, 282,
&end
#
# 17 LEU QB 18 ALA HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 225, 226,
&end
#
# 17 LEU HG 18 ALA HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 228, 240, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 17 LEU QD1 18 ALA HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 230, 231, 232,
&end
#
# 17 LEU QD1 18 ALA HA 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1= 230, 231, 232,
&end
#
# 17 LEU QD1 20 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= 230, 231, 232,
igr2= 275, 284,
&end
#
# 17 LEU QD1 20 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= 230, 231, 232,
igr2= 277, 282,
&end
#
# 17 LEU QD2 18 ALA HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 234, 235, 236,
&end
#
# 17 LEU QD2 18 ALA HA 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1= 234, 235, 236,
&end
#
# 17 LEU QD2 20 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= 234, 235, 236,
igr2= 275, 284,
&end
#
# 17 LEU QD2 20 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= 234, 235, 236,
igr2= 277, 282,
&end
#
# 17 LEU QQD 18 ALA HN 6.23
&rst
ixpk= 0, nxpk= 0, iat= 227, 240, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, &end
#
# 18 ALA HN 19 GLN HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= 240, 250, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 19 GLN HN 19 GLN HB2 3.14
&rst
ixpk= 0, nxpk= 0, iat= 250, 254, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 19 GLN HN 19 GLN HB3 3.14
&rst
ixpk= 0, nxpk= 0, iat= 250, 255, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 19 GLN HN 19 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 250, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLN HN 19 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 250, 258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLN HN 19 GLN QG 5.32
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 257, 258,
&end
#
# 19 GLN HN 20 TYR HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= 250, 267, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 19 GLN HN 21 ALA HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 250, 288, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 19 GLN HA 19 GLN HB2 3.02
&rst
ixpk= 0, nxpk= 0, iat= 252, 254, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 19 GLN HA 19 GLN HB3 3.02
&rst
ixpk= 0, nxpk= 0, iat= 252, 255, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 19 GLN HA 22 ALA HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= 252, 298, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 19 GLN HA 22 ALA QB 3.58
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 302, 303, 304,
&end
#
# 19 GLN HB2 20 TYR HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= 254, 267, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 19 GLN HB3 20 TYR HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= 255, 267, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 19 GLN QB 20 TYR HN 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 254, 255,
&end
#
# 19 GLN QB 22 ALA HN 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 254, 255,
&end
#
# 19 GLN HG2 20 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 257, 267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLN HG3 20 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 258, 267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 TYR HN 20 TYR HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 267, 271, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 20 TYR HN 20 TYR HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 267, 272, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 20 TYR HN 20 TYR QB 3.52
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 271, 272,
&end
#
# 20 TYR HN 21 ALA HN 2.77
&rst
ixpk= 0, nxpk= 0, iat= 267, 288, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 20 TYR HN 22 ALA QB 5.66
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 302, 303, 304,
&end
#
# 20 TYR HA 20 TYR HB2 3.02
&rst
ixpk= 0, nxpk= 0, iat= 269, 271, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 20 TYR HA 20 TYR HB3 3.02
&rst
ixpk= 0, nxpk= 0, iat= 269, 272, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 20 TYR HA 23 ASP- HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= 269, 308, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 20 TYR HA 23 ASP- QB 4.33
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 312, 313,
&end
#
# 20 TYR HA 24 LEU HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 269, 320, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 20 TYR HB2 21 ALA HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 271, 288, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 20 TYR HB2 22 ALA HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= 271, 298, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 20 TYR HB3 21 ALA HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 272, 288, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 20 TYR HB3 22 ALA HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= 272, 298, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 21 ALA HN 22 ALA HN 3.17
&rst
ixpk= 0, nxpk= 0, iat= 288, 298, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 21 ALA HA 24 LEU HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 290, 320, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 21 ALA HA 25 ARG+ HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 290, 339, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 21 ALA QB 24 LEU HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 292, 293, 294,
&end
#
# 22 ALA HN 23 ASP- HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= 298, 308, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 22 ALA HN 23 ASP- QB 5.14
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 312, 313,
&end
#
# 22 ALA HN 24 LEU HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 298, 320, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 22 ALA HA 25 ARG+ HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 300, 339, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 22 ALA HA 25 ARG+ HB2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 300, 343, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 22 ALA HA 25 ARG+ HB3 3.24
&rst
ixpk= 0, nxpk= 0, iat= 300, 344, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 22 ALA HA 25 ARG+ QB 2.97
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 343, 344,
&end
#
# 22 ALA HA 25 ARG+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 300, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ALA HA 25 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 300, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ALA QB 23 ASP- HA 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 302, 303, 304,
&end
#
# 23 ASP- HN 23 ASP- HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 308, 312, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 23 ASP- HN 23 ASP- HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat= 308, 313, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 23 ASP- HN 23 ASP- QB 3.55
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 312, 313,
&end
#
# 23 ASP- HA 23 ASP- HB2 3.02
&rst
ixpk= 0, nxpk= 0, iat= 310, 312, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 23 ASP- HA 23 ASP- HB3 3.02
&rst
ixpk= 0, nxpk= 0, iat= 310, 313, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 23 ASP- HA 26 HIS HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 310, 363, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 23 ASP- HA 26 HIS HB2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 310, 367, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 23 ASP- HA 26 HIS HB3 3.42
&rst
ixpk= 0, nxpk= 0, iat= 310, 368, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 23 ASP- HA 26 HIS QB 3.14
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 367, 368,
&end
#
# 23 ASP- HA 26 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 310, 376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ASP- HA 27 TYR HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 310, 380, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 23 ASP- HB2 24 LEU HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 312, 320, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 23 ASP- HB3 24 LEU HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 313, 320, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 23 ASP- QB 24 LEU HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 312, 313,
&end
#
# 24 LEU HN 24 LEU HG 3.36
&rst
ixpk= 0, nxpk= 0, iat= 320, 327, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 24 LEU HN 24 LEU QD1 6.53
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 329, 330, 331,
&end
#
# 24 LEU HN 24 LEU QD2 6.53
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 333, 334, 335,
&end
#
# 24 LEU HN 25 ARG+ QG 5.91
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 346, 347,
&end
#
# 24 LEU HA 24 LEU HG 3.55
&rst
ixpk= 0, nxpk= 0, iat= 322, 327, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 24 LEU HA 24 LEU QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 329, 330, 331,
&end
#
# 24 LEU HA 24 LEU QD2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 333, 334, 335,
&end
#
# 24 LEU HA 27 TYR QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 384, 385,
&end
#
# 24 LEU HG 25 ARG+ HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 327, 339, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 24 LEU HG 27 TYR QD 7.64
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr2= 388, 397,
&end
#
# 24 LEU QD1 25 ARG+ HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 329, 330, 331,
&end
#
# 24 LEU QD1 27 TYR QB 7.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
igr1= 329, 330, 331,
igr2= 384, 385,
&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= 329, 330, 331,
igr2= 388, 397,
&end
#
# 24 LEU QD2 25 ARG+ HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 333, 334, 335,
&end
#
# 24 LEU QD2 27 TYR QB 7.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
igr1= 333, 334, 335,
igr2= 384, 385,
&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= 333, 334, 335,
igr2= 388, 397,
&end
#
# 24 LEU QQD 27 TYR QB 6.82
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr2= 384, 385,
&end
#
# 25 ARG+ HN 25 ARG+ HB2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 339, 343, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 25 ARG+ HN 25 ARG+ HB3 3.42
&rst
ixpk= 0, nxpk= 0, iat= 339, 344, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 25 ARG+ HN 25 ARG+ QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 343, 344,
&end
#
# 25 ARG+ HN 25 ARG+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 346, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HN 25 ARG+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HN 25 ARG+ QG 5.21
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 346, 347,
&end
#
# 25 ARG+ HN 25 ARG+ QD 6.38
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 349, 350,
&end
#
# 25 ARG+ HN 26 HIS HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 339, 363, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 25 ARG+ HA 25 ARG+ HB2 3.02
&rst
ixpk= 0, nxpk= 0, iat= 341, 343, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 25 ARG+ HA 25 ARG+ HB3 3.02
&rst
ixpk= 0, nxpk= 0, iat= 341, 344, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 25 ARG+ HA 25 ARG+ QG 3.96
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 346, 347,
&end
#
# 25 ARG+ HA 25 ARG+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 341, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HA 25 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 341, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG+ HA 28 ILE HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 341, 401, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 25 ARG+ HA 28 ILE HB 3.30
&rst
ixpk= 0, nxpk= 0, iat= 341, 405, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 25 ARG+ HA 28 ILE QD1 5.19
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 414, 415, 416,
&end
#
# 25 ARG+ HA 29 ASN HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 341, 420, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 25 ARG+ HB2 26 HIS HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 343, 363, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 25 ARG+ HB3 26 HIS HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 344, 363, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 25 ARG+ QB 26 HIS HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 343, 344,
&end
#
# 25 ARG+ QG 26 HIS HN 6.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 346, 347,
&end
#
# 26 HIS HN 26 HIS HB2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 363, 367, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 26 HIS HN 26 HIS HB3 3.42
&rst
ixpk= 0, nxpk= 0, iat= 363, 368, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 26 HIS HN 27 TYR HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= 363, 380, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 26 HIS HN 28 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 363, 401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 HIS HA 26 HIS HB2 3.02
&rst
ixpk= 0, nxpk= 0, iat= 365, 367, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 26 HIS HA 26 HIS HB3 3.02
&rst
ixpk= 0, nxpk= 0, iat= 365, 368, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 26 HIS HA 26 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 365, 376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 HIS HA 29 ASN HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 365, 420, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 26 HIS HA 29 ASN HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 365, 424, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 26 HIS HA 29 ASN HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 365, 425, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 26 HIS HA 30 LEU HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 365, 434, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 26 HIS HB2 27 TYR HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 367, 380, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 26 HIS HB3 27 TYR HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 368, 380, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 26 HIS QB 27 TYR HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 367, 368,
&end
#
# 26 HIS HD2 27 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 376, 382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 HIS HD2 27 TYR QD 7.64
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr2= 388, 397,
&end
#
# 26 HIS HD2 27 TYR QE 6.36
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr2= 390, 395,
&end
#
# 26 HIS HD2 30 LEU QQD 7.63
&rst
ixpk= 0, nxpk= 0, iat= 376, 440, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13, &end
#
# 27 TYR HN 27 TYR QE 7.63
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2= 390, 395,
&end
#
# 27 TYR HN 28 ILE HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 380, 401, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 27 TYR HA 30 LEU HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 382, 434, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 27 TYR HA 30 LEU QQD 6.24
&rst
ixpk= 0, nxpk= 0, iat= 382, 440, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, &end
#
# 27 TYR QB 28 ILE QD1 7.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.73, r4=10.23,
igr1= 384, 385,
igr2= 414, 415, 416,
&end
#
# 27 TYR QD 30 LEU QB 8.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23,
igr1= 388, 397,
igr2= 438, 439,
&end
#
# 27 TYR QD 30 LEU QQD 9.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3=10.97, r4=11.47,
igr1= 388, 397,
&end
#
# 27 TYR QE 30 LEU QQD 9.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3=10.96, r4=11.46,
igr1= 390, 395,
&end
#
# 27 TYR QE 31 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= 390, 395,
igr2= 459, 460, 461,
&end
#
# 28 ILE HN 28 ILE HB 3.08
&rst
ixpk= 0, nxpk= 0, iat= 401, 405, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 28 ILE HN 28 ILE HG12 5.19
&rst
ixpk= 0, nxpk= 0, iat= 401, 411, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 28 ILE HN 28 ILE HG13 5.19
&rst
ixpk= 0, nxpk= 0, iat= 401, 412, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 28 ILE HN 28 ILE QG1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 411, 412,
&end
#
# 28 ILE HN 28 ILE QD1 6.53
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 414, 415, 416,
&end
#
# 28 ILE HN 29 ASN HN 3.39
&rst
ixpk= 0, nxpk= 0, iat= 401, 420, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 28 ILE HA 28 ILE HB 2.71
&rst
ixpk= 0, nxpk= 0, iat= 403, 405, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 28 ILE HA 28 ILE HG12 3.95
&rst
ixpk= 0, nxpk= 0, iat= 403, 411, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 28 ILE HA 28 ILE HG13 3.95
&rst
ixpk= 0, nxpk= 0, iat= 403, 412, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 28 ILE HA 28 ILE QG1 3.47
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 411, 412,
&end
#
# 28 ILE HA 28 ILE QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 414, 415, 416,
&end
#
# 28 ILE HA 31 ILE HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 403, 453, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 28 ILE HA 31 ILE QG1 6.38
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 463, 464,
&end
#
# 28 ILE HA 32 THR HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 403, 472, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 28 ILE HA 32 THR QG2 6.34
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr2= 478, 479, 480,
&end
#
# 28 ILE HB 29 ASN HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 405, 420, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 28 ILE QG2 29 ASN HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 407, 408, 409,
&end
#
# 28 ILE QD1 29 ASN HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 414, 415, 416,
&end
#
# 29 ASN HN 29 ASN HB2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 29 ASN HN 29 ASN HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 420, 425, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 29 ASN HN 29 ASN QB 3.25
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 424, 425,
&end
#
# 29 ASN HN 30 LEU HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= 420, 434, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 29 ASN HA 29 ASN HB2 2.93
&rst
ixpk= 0, nxpk= 0, iat= 422, 424, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 29 ASN HA 29 ASN HB3 2.93
&rst
ixpk= 0, nxpk= 0, iat= 422, 425, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 29 ASN HA 32 THR HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= 422, 472, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 29 ASN HA 32 THR QG2 5.69
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 478, 479, 480,
&end
#
# 29 ASN HA 33 ARG+ HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 422, 486, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 29 ASN HB2 30 LEU HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 424, 434, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 29 ASN HB3 30 LEU HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 425, 434, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 30 LEU HN 30 LEU HG 3.55
&rst
ixpk= 0, nxpk= 0, iat= 434, 441, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 30 LEU HN 30 LEU QQD 7.63
&rst
ixpk= 0, nxpk= 0, iat= 434, 440, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13, &end
#
# 30 LEU HN 31 ILE HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 434, 453, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 30 LEU HN 31 ILE HB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 434, 457, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 30 LEU HN 32 THR HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 434, 472, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 30 LEU HA 30 LEU HG 2.93
&rst
ixpk= 0, nxpk= 0, iat= 436, 441, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 30 LEU HA 33 ARG+ HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 436, 486, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 30 LEU HA 33 ARG+ QB 4.86
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 490, 491,
&end
#
# 30 LEU HA 33 ARG+ QD 6.38
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 496, 497,
&end
#
# 30 LEU QB 31 ILE HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 438, 439,
&end
#
# 30 LEU HG 31 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 441, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 LEU QQD 33 ARG+ QD 8.51
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 9.55, r4=10.05,
igr2= 496, 497,
&end
#
# 31 ILE HN 31 ILE HB 3.33
&rst
ixpk= 0, nxpk= 0, iat= 453, 457, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 31 ILE HN 31 ILE HG12 4.23
&rst
ixpk= 0, nxpk= 0, iat= 453, 463, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 31 ILE HN 31 ILE HG13 4.23
&rst
ixpk= 0, nxpk= 0, iat= 453, 464, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 31 ILE HN 31 ILE QG1 4.06
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 463, 464,
&end
#
# 31 ILE HN 31 ILE QD1 5.94
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2= 466, 467, 468,
&end
#
# 31 ILE HN 32 THR HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= 453, 472, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 31 ILE HA 33 ARG+ HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 455, 486, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 31 ILE HA 34 GLN HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 455, 510, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 31 ILE HA 34 GLN QB 5.23
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 514, 515,
&end
#
# 31 ILE HA 34 GLN QG 6.38
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 517, 518,
&end
#
# 31 ILE HA 35 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 455, 527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE HB 32 THR HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 457, 472, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 31 ILE HB 32 THR QG2 6.53
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr2= 478, 479, 480,
&end
#
# 31 ILE QG2 32 THR HN 6.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr1= 459, 460, 461,
&end
#
# 31 ILE QG2 32 THR HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 459, 460, 461,
&end
#
# 31 ILE HG12 32 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 463, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE HG13 32 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 464, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE QD1 32 THR HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 466, 467, 468,
&end
#
# 31 ILE QD1 34 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= 466, 467, 468,
igr2= 517, 518,
&end
#
# 32 THR HN 32 THR HB 3.73
&rst
ixpk= 0, nxpk= 0, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 32 THR HN 33 ARG+ HN 3.33
&rst
ixpk= 0, nxpk= 0, iat= 472, 486, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 32 THR HN 34 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 472, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR HA 32 THR HB 2.68
&rst
ixpk= 0, nxpk= 0, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 32 THR HA 35 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 474, 527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR HA 35 ARG+ HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 474, 531, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 32 THR HA 35 ARG+ HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat= 474, 532, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 32 THR HA 35 ARG+ QB 3.85
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 531, 532,
&end
#
# 32 THR HB 33 ARG+ HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= 476, 486, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 32 THR HB 36 TYR QD 7.64
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr2= 559, 568,
&end
#
# 32 THR QG2 33 ARG+ HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 478, 479, 480,
&end
#
# 32 THR QG2 36 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= 478, 479, 480,
igr2= 559, 568,
&end
#
# 32 THR QG2 36 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= 478, 479, 480,
igr2= 561, 566,
&end
#
# 33 ARG+ HN 33 ARG+ QG 5.85
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 493, 494,
&end
#
# 33 ARG+ HN 33 ARG+ QD 6.38
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 496, 497,
&end
#
# 33 ARG+ HN 34 GLN HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 486, 510, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 33 ARG+ HA 33 ARG+ QD 6.38
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 496, 497,
&end
#
# 33 ARG+ HA 34 GLN HN 3.05
&rst
ixpk= 0, nxpk= 0, iat= 488, 510, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 33 ARG+ HA 36 TYR QD 7.64
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr2= 559, 568,
&end
#
# 33 ARG+ HA 36 TYR QE 7.63
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr2= 561, 566,
&end
#
# 33 ARG+ QG 34 GLN HN 6.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 493, 494,
&end
#
# 34 GLN HN 34 GLN QG 6.28
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2= 517, 518,
&end
#
# 34 GLN HN 35 ARG+ HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= 510, 527, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 34 GLN QG 35 ARG+ HN 6.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 517, 518,
&end
#
# 35 ARG+ HN 35 ARG+ HB2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 527, 531, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 35 ARG+ HN 35 ARG+ HB3 3.42
&rst
ixpk= 0, nxpk= 0, iat= 527, 532, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 35 ARG+ HN 35 ARG+ HG2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 527, 534, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 35 ARG+ HN 35 ARG+ HG3 5.25
&rst
ixpk= 0, nxpk= 0, iat= 527, 535, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 35 ARG+ HN 35 ARG+ QG 4.87
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 534, 535,
&end
#
# 35 ARG+ HN 35 ARG+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 527, 537, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ARG+ HN 35 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 527, 538, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ARG+ HA 35 ARG+ HD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 529, 537, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 35 ARG+ HA 35 ARG+ HD3 5.34
&rst
ixpk= 0, nxpk= 0, iat= 529, 538, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 35 ARG+ HA 35 ARG+ QD 4.97
&rst
ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 537, 538,
&end
#
# 35 ARG+ HA 36 TYR HN 3.33
&rst
ixpk= 0, nxpk= 0, iat= 529, 551, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
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