NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
588731 |
2ruy   |
11478 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 8 HIS HA 8 HIS HD2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 71, 82, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
&end
#
# 8 HIS HA 9 LEU HN 3.24
&rst
ixpk= 0, nxpk= 0, iat= 71, 86, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 8 HIS QB 9 LEU HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 73, 74,
&end
#
# 9 LEU HA 10 TYR HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 88, 107, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 9 LEU HA 10 TYR HN 3.10
&rst
ixpk= 0, nxpk= 0, iat= 88, 105, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 9 LEU HA 20 ILE HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= 88, 257, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 9 LEU HA 9 LEU QQD 3.65
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 95, 96, 97, 99, 100, 101,
&end
#
# 9 LEU HB2 10 TYR HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 90, 105, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 9 LEU HB2 11 TYR QE 4.16
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 136, 141,
&end
#
# 9 LEU HB3 10 TYR HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= 91, 105, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 9 LEU HB3 11 TYR QE 5.21
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 136, 141,
&end
#
# 9 LEU HB3 18 SER QB 3.94
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 237, 238,
&end
#
# 9 LEU HB3 19 SER HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 91, 244, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 9 LEU HN 10 TYR HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 86, 105, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 9 LEU HN 9 LEU HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 86, 90, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 9 LEU HN 9 LEU HG 4.76
&rst
ixpk= 0, nxpk= 0, iat= 86, 93, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 9 LEU HN 9 LEU QQD 4.75
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 95, 96, 97, 99, 100, 101,
&end
#
# 9 LEU QQD 10 TYR HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 95, 96, 97, 99, 100, 101,
&end
#
# 9 LEU QQD 11 TYR QE 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1= 95, 96, 97, 99, 100, 101,
igr2= 136, 141,
&end
#
# 9 LEU QQD 18 SER QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 95, 96, 97, 99, 100, 101,
igr2= 237, 238,
&end
#
# 9 LEU QQD 20 ILE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 95, 96, 97, 99, 100, 101,
&end
#
# 9 LEU QQD 20 ILE QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 95, 96, 97, 99, 100, 101,
igr2= 261, 262, 263,
&end
#
# 10 TYR HA 10 TYR QD 3.75
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 113, 122,
&end
#
# 10 TYR HA 11 TYR HN 2.95
&rst
ixpk= 0, nxpk= 0, iat= 107, 126, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 10 TYR HA 11 TYR QD 4.32
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 134, 143,
&end
#
# 10 TYR HB2 11 TYR HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 109, 126, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 10 TYR HB2 25 LEU QD2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 348, 349, 350,
&end
#
# 10 TYR HB3 11 TYR HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 110, 126, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 10 TYR HB3 25 LEU QD2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 348, 349, 350,
&end
#
# 10 TYR HN 10 TYR HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 105, 109, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 10 TYR HN 10 TYR HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat= 105, 110, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 10 TYR HN 10 TYR QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 109, 110,
&end
#
# 10 TYR HN 10 TYR QD 3.63
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 113, 122,
&end
#
# 10 TYR HN 19 SER HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 105, 244, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 10 TYR HN 25 LEU QD2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 348, 349, 350,
&end
#
# 10 TYR QB 25 LEU QB 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 109, 110,
igr2= 339, 340,
&end
#
# 10 TYR QB 25 LEU QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 109, 110,
igr2= 344, 345, 346,
&end
#
# 10 TYR QB 25 LEU QD2 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 109, 110,
igr2= 348, 349, 350,
&end
#
# 10 TYR QD 11 TYR HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 113, 122,
&end
#
# 10 TYR QD 22 LYS HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 113, 122,
&end
#
# 10 TYR QD 22 LYS QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 113, 122,
igr2= 295, 296,
&end
#
# 10 TYR QD 25 LEU QD2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 113, 122,
igr2= 348, 349, 350,
&end
#
# 11 TYR HA 11 TYR QD 4.61
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 134, 143,
&end
#
# 11 TYR HA 12 CYM HN 3.17
&rst
ixpk= 0, nxpk= 0, iat= 128, 147, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 11 TYR HB2 12 CYM HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 130, 147, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 11 TYR HB3 12 CYM HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 131, 147, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 11 TYR HN 11 TYR HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 126, 130, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 11 TYR HN 11 TYR HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 126, 131, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 11 TYR HN 11 TYR QD 3.52
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 134, 143,
&end
#
# 11 TYR HN 25 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 348, 349, 350,
&end
#
# 11 TYR QD 18 SER HB2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 134, 143,
&end
#
# 11 TYR QD 18 SER HB3 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 134, 143,
&end
#
# 11 TYR QD 18 SER QB 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 134, 143,
igr2= 237, 238,
&end
#
# 11 TYR QE 18 SER QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 136, 141,
igr2= 237, 238,
&end
#
# 12 CYM HA 25 LEU QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 344, 345, 346,
&end
#
# 12 CYM HA 25 LEU QD2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 348, 349, 350,
&end
#
# 12 CYM HA 29 VAL QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 427, 428, 429,
&end
#
# 12 CYM HB2 15 CYM HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 152, 185, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 12 CYM HB2 17 TYR HB3 3.86
&rst
ixpk= 0, nxpk= 0, iat= 152, 217, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 12 CYM HB2 17 TYR QD 3.78
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 220, 229,
&end
#
# 12 CYM HB2 25 LEU QD1 3.67
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 344, 345, 346,
&end
#
# 12 CYM HB2 28 HIS HD2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 152, 413, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 12 CYM HB3 15 CYM HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= 151, 185, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 12 CYM HB3 17 TYR HB2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 151, 216, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 12 CYM HB3 17 TYR HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 151, 217, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 12 CYM HB3 17 TYR HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= 151, 212, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 12 CYM HB3 17 TYR QD 4.18
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 220, 229,
&end
#
# 12 CYM HB3 25 LEU QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 344, 345, 346,
&end
#
# 12 CYM HB3 25 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 348, 349, 350,
&end
#
# 12 CYM HB3 28 HIS HD2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 151, 413, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 12 CYM HN 12 CYM HB2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 147, 152, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 12 CYM HN 12 CYM HB3 3.27
&rst
ixpk= 0, nxpk= 0, iat= 147, 151, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 12 CYM HN 17 TYR HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 147, 217, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 12 CYM HN 17 TYR QD 4.61
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 220, 229,
&end
#
# 12 CYM HN 25 LEU QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 344, 345, 346,
&end
#
# 12 CYM HN 25 LEU QD2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 348, 349, 350,
&end
#
# 14 GLN HA 14 GLN HG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 170, 175, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 14 GLN HA 14 GLN HG3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 170, 176, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 14 GLN HA 14 GLN QG 3.43
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 175, 176,
&end
#
# 14 GLN HB2 15 CYM HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 172, 185, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 14 GLN HB2 33 HIS HE1 4.61
&rst
ixpk= 0, nxpk= 0, iat= 172, 501, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 14 GLN HB3 15 CYM HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 173, 185, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 14 GLN HB3 33 HIS HE1 4.61
&rst
ixpk= 0, nxpk= 0, iat= 173, 501, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 14 GLN HE21 29 VAL QG1 5.23
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 423, 424, 425,
&end
#
# 14 GLN HE22 29 VAL QG1 5.23
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 423, 424, 425,
&end
#
# 14 GLN HN 14 GLN HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 168, 172, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 14 GLN HN 14 GLN HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 168, 173, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 14 GLN HN 14 GLN HG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 168, 175, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 14 GLN HN 14 GLN HG3 4.62
&rst
ixpk= 0, nxpk= 0, iat= 168, 176, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 14 GLN HN 14 GLN QB 3.33
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 172, 173,
&end
#
# 14 GLN HN 14 GLN QG 4.06
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 175, 176,
&end
#
# 14 GLN HN 15 CYM HN 2.93
&rst
ixpk= 0, nxpk= 0, iat= 168, 185, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 14 GLN QB 15 CYM HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 172, 173,
&end
#
# 14 GLN QE2 29 VAL QG1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 180, 181,
igr2= 423, 424, 425,
&end
#
# 14 GLN QE2 33 HIS QB 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 180, 181,
igr2= 495, 496,
&end
#
# 14 GLN QG 15 CYM HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 175, 176,
&end
#
# 15 CYM HN 15 CYM QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 190, 189,
&end
#
# 15 CYM HN 17 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 185, 217, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 CYM QB 33 HIS HE1 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 190, 189,
&end
#
# 17 TYR HA 17 TYR QD 3.95
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 220, 229,
&end
#
# 17 TYR HA 17 TYR QE 4.83
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 222, 227,
&end
#
# 17 TYR HA 18 SER HN 3.03
&rst
ixpk= 0, nxpk= 0, iat= 214, 233, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 17 TYR HB2 18 SER HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 216, 233, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 17 TYR HB2 28 HIS HE1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 216, 410, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 17 TYR HB3 18 SER HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 217, 233, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 17 TYR HB3 28 HIS HE1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 217, 410, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 17 TYR HN 17 TYR HB2 3.32
&rst
ixpk= 0, nxpk= 0, iat= 212, 216, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 17 TYR HN 17 TYR HB3 3.41
&rst
ixpk= 0, nxpk= 0, iat= 212, 217, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 17 TYR HN 17 TYR QD 4.21
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 220, 229,
&end
#
# 17 TYR HN 18 SER HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 212, 233, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 17 TYR QD 18 SER HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 220, 229,
&end
#
# 17 TYR QD 25 LEU QD1 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 220, 229,
igr2= 344, 345, 346,
&end
#
# 17 TYR QD 25 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 220, 229,
igr2= 348, 349, 350,
&end
#
# 17 TYR QD 28 HIS HD2 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 220, 229,
&end
#
# 17 TYR QD 28 HIS HE1 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 220, 229,
&end
#
# 17 TYR QD 28 HIS QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 220, 229,
igr2= 404, 405,
&end
#
# 17 TYR QE 19 SER HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 222, 227,
&end
#
# 17 TYR QE 19 SER HB3 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 222, 227,
&end
#
# 17 TYR QE 19 SER QB 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 222, 227,
igr2= 248, 249,
&end
#
# 17 TYR QE 25 LEU HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 222, 227,
&end
#
# 17 TYR QE 25 LEU QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 222, 227,
igr2= 344, 345, 346,
&end
#
# 17 TYR QE 25 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 222, 227,
igr2= 348, 349, 350,
&end
#
# 17 TYR QE 28 HIS HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 222, 227,
&end
#
# 17 TYR QE 28 HIS HB3 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 222, 227,
&end
#
# 18 SER QB 19 SER HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 237, 238,
&end
#
# 19 SER HN 19 SER QB 3.61
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 248, 249,
&end
#
# 20 ILE HA 20 ILE QD1 4.60
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 268, 269, 270,
&end
#
# 20 ILE HA 20 ILE QG2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 261, 262, 263,
&end
#
# 20 ILE HB 20 ILE QD1 3.87
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 268, 269, 270,
&end
#
# 22 LYS HA 22 LYS QD 4.58
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 298, 299,
&end
#
# 22 LYS HA 25 LEU HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 290, 339, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 LYS HA 25 LEU HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 290, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 LYS HA 25 LEU HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 290, 335, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 22 LYS HA 25 LEU QB 3.85
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 339, 340,
&end
#
# 22 LYS HA 25 LEU QD2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 348, 349, 350,
&end
#
# 22 LYS QB 25 LEU QD2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 292, 293,
igr2= 348, 349, 350,
&end
#
# 25 LEU HA 25 LEU HN 2.70
&rst
ixpk= 0, nxpk= 0, iat= 337, 335, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 25 LEU HA 25 LEU QD1 3.33
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 344, 345, 346,
&end
#
# 25 LEU HA 28 HIS HB2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 337, 404, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 25 LEU HA 28 HIS HB3 4.36
&rst
ixpk= 0, nxpk= 0, iat= 337, 405, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 25 LEU HA 28 HIS HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 337, 400, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 25 LEU HA 29 VAL HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= 337, 417, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 25 LEU HB2 25 LEU QD1 4.10
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 344, 345, 346,
&end
#
# 25 LEU HB2 25 LEU QD2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 348, 349, 350,
&end
#
# 25 LEU HB2 26 LYS HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 339, 354, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 25 LEU HB3 25 LEU QD1 4.10
&rst
ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 344, 345, 346,
&end
#
# 25 LEU HB3 25 LEU QD2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 348, 349, 350,
&end
#
# 25 LEU HB3 26 LYS HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 340, 354, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 25 LEU HG 26 LYS HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 342, 356, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 25 LEU HG 29 VAL QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 427, 428, 429,
&end
#
# 25 LEU HN 25 LEU HB2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 335, 339, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 25 LEU HN 25 LEU HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 335, 340, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 25 LEU HN 25 LEU QD1 4.88
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 344, 345, 346,
&end
#
# 25 LEU HN 25 LEU QD2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 348, 349, 350,
&end
#
# 25 LEU HN 26 LYS HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= 335, 354, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 25 LEU QB 26 LYS HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 339, 340,
&end
#
# 25 LEU QD1 28 HIS HD2 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 344, 345, 346,
&end
#
# 25 LEU QD1 28 HIS QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 344, 345, 346,
igr2= 404, 405,
&end
#
# 25 LEU QD1 29 VAL QG2 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 344, 345, 346,
igr2= 427, 428, 429,
&end
#
# 25 LEU QD2 28 HIS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 348, 349, 350,
igr2= 404, 405,
&end
#
# 26 LYS HA 26 LYS QD 4.62
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 364, 365,
&end
#
# 26 LYS HA 26 LYS QG 3.69
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 361, 362,
&end
#
# 26 LYS HA 29 VAL HB 3.92
&rst
ixpk= 0, nxpk= 0, iat= 356, 421, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 26 LYS HA 29 VAL HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 356, 417, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 26 LYS HA 29 VAL QG1 5.09
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 423, 424, 425,
&end
#
# 26 LYS HA 29 VAL QG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 427, 428, 429,
&end
#
# 26 LYS HN 26 LYS QB 3.44
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 358, 359,
&end
#
# 26 LYS HN 26 LYS QG 4.71
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 361, 362,
&end
#
# 26 LYS HN 27 ARG HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 354, 376, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 26 LYS QB 27 ARG HN 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 358, 359,
&end
#
# 26 LYS QE 30 ILE QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 367, 368,
igr2= 446, 447, 448,
&end
#
# 27 ARG HA 30 ILE HB 3.79
&rst
ixpk= 0, nxpk= 0, iat= 378, 437, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 27 ARG HA 30 ILE HG12 4.86
&rst
ixpk= 0, nxpk= 0, iat= 378, 443, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 27 ARG HA 30 ILE HG13 4.86
&rst
ixpk= 0, nxpk= 0, iat= 378, 444, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 27 ARG HA 30 ILE HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= 378, 433, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 27 ARG HA 30 ILE QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 446, 447, 448,
&end
#
# 27 ARG HA 30 ILE QG1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 443, 444,
&end
#
# 27 ARG HN 27 ARG QB 3.80
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 380, 381,
&end
#
# 27 ARG HN 27 ARG QG 4.59
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 383, 384,
&end
#
# 27 ARG HN 28 HIS HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 376, 400, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 27 ARG QB 27 ARG QD 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 380, 381,
igr2= 386, 387,
&end
#
# 27 ARG QB 28 HIS HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 380, 381,
&end
#
# 28 HIS HA 32 LYS HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 402, 469, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 28 HIS HA 32 LYS QG 4.54
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 476, 477,
&end
#
# 28 HIS HB2 29 VAL HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 404, 417, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 28 HIS HB3 29 VAL HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 405, 417, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 28 HIS HD2 29 VAL HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= 413, 419, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 28 HIS HD2 29 VAL HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 413, 417, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 28 HIS HD2 29 VAL QG1 4.49
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 423, 424, 425,
&end
#
# 28 HIS HD2 29 VAL QG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 427, 428, 429,
&end
#
# 28 HIS HD2 33 HIS HD2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 413, 504, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 28 HIS HE1 32 LYS HB2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 410, 473, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 28 HIS HE1 32 LYS HB3 4.84
&rst
ixpk= 0, nxpk= 0, iat= 410, 474, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 28 HIS HE1 32 LYS QB 4.26
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 473, 474,
&end
#
# 28 HIS HE1 32 LYS QD 4.82
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 479, 480,
&end
#
# 28 HIS HE1 32 LYS QG 3.72
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 476, 477,
&end
#
# 28 HIS HN 28 HIS HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 28 HIS HN 28 HIS HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 400, 405, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 28 HIS HN 28 HIS QB 3.35
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 404, 405,
&end
#
# 28 HIS HN 29 VAL HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 400, 417, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 28 HIS QB 29 VAL HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 404, 405,
&end
#
# 28 HIS QB 32 LYS QG 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 404, 405,
igr2= 476, 477,
&end
#
# 29 VAL HA 29 VAL QG1 3.42
&rst
ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 423, 424, 425,
&end
#
# 29 VAL HA 29 VAL QG2 3.32
&rst
ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 427, 428, 429,
&end
#
# 29 VAL HA 32 LYS HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 419, 469, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 29 VAL HA 33 HIS HD2 3.12
&rst
ixpk= 0, nxpk= 0, iat= 419, 504, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 29 VAL HA 33 HIS HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= 419, 491, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 29 VAL HA 33 HIS QB 3.97
&rst
ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 495, 496,
&end
#
# 29 VAL HB 30 ILE HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= 421, 433, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 29 VAL HB 33 HIS HD2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 421, 504, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 29 VAL HN 29 VAL HB 3.32
&rst
ixpk= 0, nxpk= 0, iat= 417, 421, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 29 VAL HN 29 VAL QG1 3.82
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 423, 424, 425,
&end
#
# 29 VAL HN 29 VAL QG2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 427, 428, 429,
&end
#
# 29 VAL HN 30 ILE HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= 417, 433, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 29 VAL HN 33 HIS HD2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 417, 504, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 29 VAL QG1 30 ILE HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 423, 424, 425,
&end
#
# 29 VAL QG1 30 ILE HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 423, 424, 425,
&end
#
# 29 VAL QG1 33 HIS HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 423, 424, 425,
&end
#
# 29 VAL QG1 33 HIS HB3 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 423, 424, 425,
&end
#
# 29 VAL QG1 33 HIS HD2 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 423, 424, 425,
&end
#
# 29 VAL QG1 33 HIS HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 423, 424, 425,
&end
#
# 29 VAL QG1 33 HIS QB 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 423, 424, 425,
igr2= 495, 496,
&end
#
# 29 VAL QG2 30 ILE HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 427, 428, 429,
&end
#
# 29 VAL QG2 33 HIS HD2 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 427, 428, 429,
&end
#
# 29 VAL QG2 33 HIS HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 427, 428, 429,
&end
#
# 29 VAL QG2 33 HIS QB 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 427, 428, 429,
igr2= 495, 496,
&end
#
# 30 ILE HA 30 ILE HG12 3.85
&rst
ixpk= 0, nxpk= 0, iat= 435, 443, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 30 ILE HA 30 ILE HG13 3.85
&rst
ixpk= 0, nxpk= 0, iat= 435, 444, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 30 ILE HA 30 ILE QD1 3.91
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 446, 447, 448,
&end
#
# 30 ILE HA 30 ILE QG1 3.33
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 443, 444,
&end
#
# 30 ILE HA 30 ILE QG2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 439, 440, 441,
&end
#
# 30 ILE HA 31 GLN HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 435, 454, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 30 ILE HB 30 ILE QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 446, 447, 448,
&end
#
# 30 ILE HB 31 GLN HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 437, 452, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 30 ILE HN 30 ILE HB 3.35
&rst
ixpk= 0, nxpk= 0, iat= 433, 437, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 30 ILE HN 30 ILE HG12 3.97
&rst
ixpk= 0, nxpk= 0, iat= 433, 443, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 30 ILE HN 30 ILE HG13 3.97
&rst
ixpk= 0, nxpk= 0, iat= 433, 444, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 30 ILE HN 30 ILE QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 446, 447, 448,
&end
#
# 30 ILE HN 30 ILE QG1 3.33
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 443, 444,
&end
#
# 30 ILE HN 30 ILE QG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 439, 440, 441,
&end
#
# 30 ILE HN 31 GLN HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= 433, 452, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 30 ILE HN 32 LYS HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 433, 469, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 30 ILE QG2 30 ILE HG12 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 439, 440, 441,
&end
#
# 30 ILE QG2 30 ILE HG13 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 439, 440, 441,
&end
#
# 30 ILE QG2 31 GLN HA 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 439, 440, 441,
&end
#
# 30 ILE QG2 31 GLN HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 439, 440, 441,
&end
#
# 31 GLN HA 31 GLN QG 3.64
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 459, 460,
&end
#
# 31 GLN HB2 32 LYS HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 456, 469, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 31 GLN HB2 32 LYS QG 4.88
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 476, 477,
&end
#
# 31 GLN HB3 32 LYS HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 457, 469, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 31 GLN HB3 32 LYS QG 4.88
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 476, 477,
&end
#
# 31 GLN HN 31 GLN HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 452, 456, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 31 GLN HN 31 GLN HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 452, 457, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 31 GLN HN 31 GLN HG2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 452, 459, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 31 GLN HN 31 GLN HG3 4.59
&rst
ixpk= 0, nxpk= 0, iat= 452, 460, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 31 GLN HN 31 GLN QB 3.45
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 456, 457,
&end
#
# 31 GLN HN 32 LYS HN 3.71
&rst
ixpk= 0, nxpk= 0, iat= 452, 469, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 31 GLN QB 32 LYS HN 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 456, 457,
&end
#
# 31 GLN QB 32 LYS QB 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 456, 457,
igr2= 473, 474,
&end
#
# 31 GLN QB 32 LYS QG 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 456, 457,
igr2= 476, 477,
&end
#
# 32 LYS HA 32 LYS QD 3.38
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 479, 480,
&end
#
# 32 LYS HA 32 LYS QG 3.78
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 476, 477,
&end
#
# 32 LYS HB2 33 HIS HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 473, 491, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 32 LYS HB3 33 HIS HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 474, 491, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 32 LYS HN 32 LYS HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 469, 473, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 32 LYS HN 32 LYS HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 469, 474, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 32 LYS HN 32 LYS QB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 473, 474,
&end
#
# 32 LYS HN 32 LYS QD 4.44
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 479, 480,
&end
#
# 32 LYS HN 32 LYS QG 3.61
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 476, 477,
&end
#
# 32 LYS HN 33 HIS HN 3.27
&rst
ixpk= 0, nxpk= 0, iat= 469, 491, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 32 LYS QB 32 LYS QD 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 473, 474,
igr2= 479, 480,
&end
#
# 32 LYS QB 32 LYS QE 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 473, 474,
igr2= 482, 483,
&end
#
# 32 LYS QB 33 HIS HN 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 473, 474,
&end
#
# 32 LYS QD 33 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 479, 480,
&end
#
# 32 LYS QG 32 LYS QE 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 476, 477,
igr2= 482, 483,
&end
#
# 32 LYS QG 33 HIS HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 476, 477,
&end
#
# 33 HIS HN 33 HIS HD2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 491, 504, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 33 HIS HN 33 HIS QB 3.53
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 495, 496,
&end
#
# 33 HIS HN 34 SER HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 491, 508, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 36 ILE HA 36 ILE QD1 4.35
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 546, 547, 548,
&end
#
# 36 ILE HA 36 ILE QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 539, 540, 541,
&end
#
# 36 ILE HA 37 LEU HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= 535, 552, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 36 ILE HB 37 LEU HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 537, 552, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 36 ILE HN 36 ILE HB 4.18
&rst
ixpk= 0, nxpk= 0, iat= 533, 537, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 36 ILE HN 36 ILE HG12 4.54
&rst
ixpk= 0, nxpk= 0, iat= 533, 543, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 36 ILE HN 36 ILE HG13 4.54
&rst
ixpk= 0, nxpk= 0, iat= 533, 544, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 36 ILE HN 36 ILE QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 539, 540, 541,
&end
#
# 36 ILE HN 37 LEU HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 533, 552, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 36 ILE QG2 36 ILE HG12 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 539, 540, 541,
&end
#
# 36 ILE QG2 36 ILE HG13 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 539, 540, 541,
&end
#
# 36 ILE QG2 37 LEU HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 539, 540, 541,
&end
#
# 37 LEU HA 37 LEU QQD 3.76
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 37 LEU HN 37 LEU HG 4.20
&rst
ixpk= 0, nxpk= 0, iat= 552, 559, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 37 LEU HN 37 LEU QB 3.74
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 556, 557,
&end
#
# 37 LEU HN 37 LEU QQD 5.09
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2= 561, 562, 563, 565, 566, 567,
&end
#
# 37 LEU QB 37 LEU QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 556, 557,
igr2= 561, 562, 563,
&end
#
# 37 LEU QB 37 LEU QD2 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 556, 557,
igr2= 565, 566, 567,
&end
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