NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
653184 |
6xyv   |
34487 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: RSTall_scarti
#
# 2 THR H 2 THR HB 3.03
&rst
ixpk= 0, nxpk= 0, iat= 20, 24, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
/
#
# 2 THR H 2 THR QG2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 20, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 26, 27, 28,
/
#
# 2 THR HA 2 THR QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 22, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 26, 27, 28,
/
#
# 2 THR HB 3 LYS H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 24, 34, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, /
#
# 3 LYS H 3 LYS QD 4.43
&rst
ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 44, 45,
/
#
# 3 LYS H 3 LYS QG 4.54
&rst
ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 41, 42,
/
#
# 3 LYS HA 3 LYS QD 4.08
&rst
ixpk= 0, nxpk= 0, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 44, 45,
/
#
# 3 LYS HA 3 LYS QE 6.38
&rst
ixpk= 0, nxpk= 0, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 47, 48,
/
#
# 3 LYS HA 3 LYS QG 3.41
&rst
ixpk= 0, nxpk= 0, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 41, 42,
/
#
# 3 LYS HA 4 LYS H 2.50
&rst
ixpk= 0, nxpk= 0, iat= 36, 56, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 3 LYS QB 3 LYS QD 2.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr1= 38, 39,
igr2= 44, 45,
/
#
# 3 LYS QB 3 LYS QE 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 38, 39,
igr2= 47, 48,
/
#
# 3 LYS QB 4 LYS H 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 38, 39,
/
#
# 3 LYS QG 4 LYS H 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1= 41, 42,
/
#
# 4 LYS H 4 LYS HB2 2.90
&rst
ixpk= 0, nxpk= 0, iat= 56, 60, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, /
#
# 4 LYS H 4 LYS HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat= 56, 61, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, /
#
# 4 LYS H 4 LYS HG2 3.22
&rst
ixpk= 0, nxpk= 0, iat= 56, 63, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, /
#
# 4 LYS H 4 LYS HG3 3.53
&rst
ixpk= 0, nxpk= 0, iat= 56, 64, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, /
#
# 4 LYS H 5 ALA H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 56, 78, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, /
#
# 4 LYS HA 4 LYS HE2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 58, 69, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, /
#
# 4 LYS HA 4 LYS HE3 4.93
&rst
ixpk= 0, nxpk= 0, iat= 58, 70, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, /
#
# 4 LYS HA 4 LYS HG3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 58, 64, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, /
#
# 4 LYS HA 5 ALA H 2.75
&rst
ixpk= 0, nxpk= 0, iat= 58, 78, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, /
#
# 4 LYS HB2 38 GLU H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 60, 557, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, /
#
# 4 LYS HB2 38 GLU HG3 5.64
&rst
ixpk= 0, nxpk= 0, iat= 60, 565, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, /
#
# 4 LYS HB2 4 LYS HE3 4.84
&rst
ixpk= 0, nxpk= 0, iat= 60, 70, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, /
#
# 4 LYS HB2 5 ALA H 3.90
&rst
ixpk= 0, nxpk= 0, iat= 60, 78, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, /
#
# 4 LYS HB3 38 GLU H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 61, 557, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, /
#
# 4 LYS HB3 4 LYS HE3 4.33
&rst
ixpk= 0, nxpk= 0, iat= 61, 70, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, /
#
# 4 LYS HB3 5 ALA H 3.59
&rst
ixpk= 0, nxpk= 0, iat= 61, 78, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, /
#
# 4 LYS HG2 4 LYS HE3 3.11
&rst
ixpk= 0, nxpk= 0, iat= 63, 70, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, /
#
# 4 LYS HG2 5 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 63, 78, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 4 LYS HG3 4 LYS HE2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 64, 69, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, /
#
# 4 LYS HG3 4 LYS HE3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 64, 70, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, /
#
# 4 LYS HG3 5 ALA H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 64, 78, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, /
#
# 5 ALA H 37 VAL HA 3.76
&rst
ixpk= 0, nxpk= 0, iat= 78, 543, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, /
#
# 5 ALA H 5 ALA QB 3.16
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 82, 83, 84,
/
#
# 5 ALA H 6 SER H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 78, 88, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, /
#
# 5 ALA HA 6 SER H 2.69
&rst
ixpk= 0, nxpk= 0, iat= 80, 88, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, /
#
# 5 ALA QB 6 SER H 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 82, 83, 84,
/
#
# 5 ALA QB 9 ASP HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 82, 83, 84,
/
#
# 5 ALA QB 9 ASP HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 82, 83, 84,
/
#
# 6 SER H 6 SER HA 2.94
&rst
ixpk= 0, nxpk= 0, iat= 88, 90, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, /
#
# 6 SER H 6 SER HB2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 88, 92, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, /
#
# 6 SER H 6 SER HB3 3.11
&rst
ixpk= 0, nxpk= 0, iat= 88, 93, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, /
#
# 6 SER H 9 ASP H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 88, 138, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, /
#
# 6 SER H 9 ASP HB2 3.13
&rst
ixpk= 0, nxpk= 0, iat= 88, 142, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, /
#
# 6 SER H 9 ASP HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 88, 143, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, /
#
# 6 SER HA 38 GLU H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 90, 557, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, /
#
# 6 SER HA 6 SER HB2 2.46
&rst
ixpk= 0, nxpk= 0, iat= 90, 92, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96, /
#
# 6 SER HA 6 SER HB3 2.92
&rst
ixpk= 0, nxpk= 0, iat= 90, 93, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, /
#
# 6 SER HA 7 HIS H 2.82
&rst
ixpk= 0, nxpk= 0, iat= 90, 99, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, /
#
# 6 SER HB2 7 HIS H 2.89
&rst
ixpk= 0, nxpk= 0, iat= 92, 99, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, /
#
# 6 SER HB2 8 LYS H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 92, 116, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, /
#
# 6 SER HB2 9 ASP H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 92, 138, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, /
#
# 6 SER HB3 7 HIS H 3.93
&rst
ixpk= 0, nxpk= 0, iat= 93, 99, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, /
#
# 7 HIS H 38 GLU HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 99, 561, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, /
#
# 7 HIS H 38 GLU HB3 5.06
&rst
ixpk= 0, nxpk= 0, iat= 99, 562, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, /
#
# 7 HIS H 38 GLU HG2 5.56
&rst
ixpk= 0, nxpk= 0, iat= 99, 564, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, /
#
# 7 HIS H 38 GLU HG3 5.34
&rst
ixpk= 0, nxpk= 0, iat= 99, 565, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, /
#
# 7 HIS H 7 HIS HB2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 99, 103, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, /
#
# 7 HIS H 7 HIS HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat= 99, 104, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, /
#
# 7 HIS H 7 HIS HD2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 99, 112, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, /
#
# 7 HIS H 7 HIS HE1 11.19
&rst
ixpk= 0, nxpk= 0, iat= 99, 108, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69, /
#
# 7 HIS H 8 LYS H 3.28
&rst
ixpk= 0, nxpk= 0, iat= 99, 116, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, /
#
# 7 HIS H 9 ASP H 5.25
&rst
ixpk= 0, nxpk= 0, iat= 99, 138, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, /
#
# 7 HIS HA 12 TYR HB3 4.82
&rst
ixpk= 0, nxpk= 0, iat= 101, 172, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, /
#
# 7 HIS HA 7 HIS HD2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 101, 112, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, /
#
# 7 HIS HA 8 LYS H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 101, 116, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, /
#
# 7 HIS HB2 12 TYR HB3 4.61
&rst
ixpk= 0, nxpk= 0, iat= 103, 172, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, /
#
# 7 HIS HB2 8 LYS H 3.69
&rst
ixpk= 0, nxpk= 0, iat= 103, 116, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, /
#
# 7 HIS HB3 12 TYR HB3 4.73
&rst
ixpk= 0, nxpk= 0, iat= 104, 172, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, /
#
# 7 HIS HB3 8 LYS H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 104, 116, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, /
#
# 7 HIS HD2 38 GLU HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 112, 561, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, /
#
# 7 HIS HD2 38 GLU HB3 4.93
&rst
ixpk= 0, nxpk= 0, iat= 112, 562, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, /
#
# 7 HIS HD2 38 GLU HG2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 112, 564, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, /
#
# 7 HIS HD2 38 GLU HG3 4.83
&rst
ixpk= 0, nxpk= 0, iat= 112, 565, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, /
#
# 8 LYS H 8 LYS HB2 3.11
&rst
ixpk= 0, nxpk= 0, iat= 116, 120, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, /
#
# 8 LYS H 8 LYS HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat= 116, 121, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, /
#
# 8 LYS H 8 LYS HG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 116, 123, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, /
#
# 8 LYS H 8 LYS HG3 5.40
&rst
ixpk= 0, nxpk= 0, iat= 116, 124, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, /
#
# 8 LYS H 9 ASP H 2.99
&rst
ixpk= 0, nxpk= 0, iat= 116, 138, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, /
#
# 8 LYS HA 10 ALA H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 118, 150, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, /
#
# 8 LYS HA 11 GLY H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 118, 160, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, /
#
# 8 LYS HA 8 LYS HD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 118, 126, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, /
#
# 8 LYS HA 8 LYS HD3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 118, 127, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, /
#
# 8 LYS HA 8 LYS HG2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 118, 123, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, /
#
# 8 LYS HA 8 LYS HG3 4.23
&rst
ixpk= 0, nxpk= 0, iat= 118, 124, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, /
#
# 8 LYS HA 9 ASP H 3.56
&rst
ixpk= 0, nxpk= 0, iat= 118, 138, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, /
#
# 8 LYS HB2 9 ASP H 3.87
&rst
ixpk= 0, nxpk= 0, iat= 120, 138, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, /
#
# 8 LYS HB3 9 ASP H 3.32
&rst
ixpk= 0, nxpk= 0, iat= 121, 138, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, /
#
# 8 LYS HG2 9 ASP H 4.19
&rst
ixpk= 0, nxpk= 0, iat= 123, 138, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, /
#
# 8 LYS HG3 9 ASP H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 124, 138, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, /
#
# 9 ASP H 11 GLY H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 138, 160, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, /
#
# 9 ASP H 9 ASP HB2 2.83
&rst
ixpk= 0, nxpk= 0, iat= 138, 142, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, /
#
# 9 ASP H 9 ASP HB3 3.36
&rst
ixpk= 0, nxpk= 0, iat= 138, 143, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, /
#
# 9 ASP HA 11 GLY H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 140, 160, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, /
#
# 9 ASP HA 9 ASP HB3 2.98
&rst
ixpk= 0, nxpk= 0, iat= 140, 143, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, /
#
# 9 ASP HB2 10 ALA H 3.62
&rst
ixpk= 0, nxpk= 0, iat= 142, 150, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, /
#
# 9 ASP HB3 10 ALA H 4.02
&rst
ixpk= 0, nxpk= 0, iat= 143, 150, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, /
#
# 10 ALA H 10 ALA QB 3.56
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 154, 155, 156,
/
#
# 10 ALA H 11 GLY H 3.01
&rst
ixpk= 0, nxpk= 0, iat= 150, 160, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, /
#
# 10 ALA HA 12 TYR H 5.09
&rst
ixpk= 0, nxpk= 0, iat= 152, 167, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, /
#
# 11 GLY H 11 GLY HA2 2.72
&rst
ixpk= 0, nxpk= 0, iat= 160, 162, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, /
#
# 11 GLY H 12 TYR H 3.08
&rst
ixpk= 0, nxpk= 0, iat= 160, 167, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, /
#
# 11 GLY HA2 12 TYR H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 162, 167, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 12 TYR H 12 TYR HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 167, 171, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, /
#
# 12 TYR H 12 TYR HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 167, 172, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, /
#
# 12 TYR H 13 GLN H 5.19
&rst
ixpk= 0, nxpk= 0, iat= 167, 188, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, /
#
# 13 GLN H 13 GLN HG2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 188, 195, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, /
#
# 13 GLN H 13 GLN HG3 4.81
&rst
ixpk= 0, nxpk= 0, iat= 188, 196, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, /
#
# 13 GLN HA 14 GLU H 2.57
&rst
ixpk= 0, nxpk= 0, iat= 190, 205, r1= 1.30, r2= 1.80, r3= 2.57, r4= 3.07, /
#
# 13 GLN HA 15 SER H 4.71
&rst
ixpk= 0, nxpk= 0, iat= 190, 220, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, /
#
# 13 GLN HB2 14 GLU H 3.36
&rst
ixpk= 0, nxpk= 0, iat= 192, 205, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, /
#
# 13 GLN HB2 15 SER H 4.23
&rst
ixpk= 0, nxpk= 0, iat= 192, 220, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, /
#
# 13 GLN HB3 13 GLN HE21 4.70
&rst
ixpk= 0, nxpk= 0, iat= 193, 200, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, /
#
# 13 GLN HB3 15 SER H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 193, 220, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, /
#
# 13 GLN HE21 16 PRO HA 5.59
&rst
ixpk= 0, nxpk= 0, iat= 200, 241, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, /
#
# 13 GLN HE21 17 ASN HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 200, 247, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, /
#
# 13 GLN HE21 17 ASN HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 200, 250, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, /
#
# 13 GLN HE21 46 TRP HB2 5.28
&rst
ixpk= 0, nxpk= 0, iat= 200, 667, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, /
#
# 13 GLN HE22 17 ASN HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= 201, 247, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, /
#
# 13 GLN HE22 17 ASN HB2 6.56
&rst
ixpk= 0, nxpk= 0, iat= 201, 249, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, /
#
# 13 GLN HE22 17 ASN HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat= 201, 250, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, /
#
# 13 GLN HE22 46 TRP HB2 6.17
&rst
ixpk= 0, nxpk= 0, iat= 201, 667, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, /
#
# 13 GLN HG2 13 GLN HE21 3.89
&rst
ixpk= 0, nxpk= 0, iat= 195, 200, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, /
#
# 13 GLN HG2 15 SER H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 195, 220, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, /
#
# 13 GLN HG2 46 TRP HE3 3.44
&rst
ixpk= 0, nxpk= 0, iat= 195, 682, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, /
#
# 13 GLN HG3 13 GLN HE21 3.27
&rst
ixpk= 0, nxpk= 0, iat= 196, 200, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, /
#
# 13 GLN HG3 13 GLN HE22 3.74
&rst
ixpk= 0, nxpk= 0, iat= 196, 201, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, /
#
# 13 GLN HG3 14 GLU H 4.68
&rst
ixpk= 0, nxpk= 0, iat= 196, 205, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, /
#
# 13 GLN HG3 15 SER H 3.40
&rst
ixpk= 0, nxpk= 0, iat= 196, 220, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, /
#
# 13 GLN HG3 46 TRP HE3 4.32
&rst
ixpk= 0, nxpk= 0, iat= 196, 682, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, /
#
# 14 GLU H 14 GLU HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 205, 209, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, /
#
# 14 GLU H 14 GLU HB3 2.71
&rst
ixpk= 0, nxpk= 0, iat= 205, 210, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, /
#
# 14 GLU H 14 GLU QG 3.01
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 212, 213,
/
#
# 14 GLU H 15 SER H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 205, 220, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, /
#
# 14 GLU HA 14 GLU QG 3.39
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 212, 213,
/
#
# 14 GLU HA 15 SER H 3.44
&rst
ixpk= 0, nxpk= 0, iat= 207, 220, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, /
#
# 14 GLU HB3 14 GLU QG 2.81
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2= 212, 213,
/
#
# 14 GLU HB3 15 SER H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 210, 220, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, /
#
# 14 GLU QG 15 SER H 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 212, 213,
/
#
# 15 SER H 15 SER HB2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 220, 224, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, /
#
# 15 SER H 15 SER HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat= 220, 225, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, /
#
# 15 SER HA 15 SER HB3 2.97
&rst
ixpk= 0, nxpk= 0, iat= 222, 225, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, /
#
# 15 SER HA 16 PRO HD2 2.98
&rst
ixpk= 0, nxpk= 0, iat= 222, 232, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, /
#
# 15 SER HA 16 PRO HD3 2.56
&rst
ixpk= 0, nxpk= 0, iat= 222, 233, r1= 1.30, r2= 1.80, r3= 2.56, r4= 3.06, /
#
# 15 SER HB2 16 PRO HD2 3.01
&rst
ixpk= 0, nxpk= 0, iat= 224, 232, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, /
#
# 15 SER HB2 16 PRO HD3 3.71
&rst
ixpk= 0, nxpk= 0, iat= 224, 233, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, /
#
# 15 SER HB3 16 PRO HD2 3.22
&rst
ixpk= 0, nxpk= 0, iat= 225, 232, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, /
#
# 15 SER HB3 16 PRO HD3 3.65
&rst
ixpk= 0, nxpk= 0, iat= 225, 233, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, /
#
# 16 PRO HA 17 ASN H 2.82
&rst
ixpk= 0, nxpk= 0, iat= 241, 245, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, /
#
# 16 PRO HB2 17 ASN H 3.69
&rst
ixpk= 0, nxpk= 0, iat= 238, 245, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, /
#
# 16 PRO HB3 17 ASN H 3.86
&rst
ixpk= 0, nxpk= 0, iat= 239, 245, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, /
#
# 17 ASN H 17 ASN HB2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 245, 249, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, /
#
# 17 ASN H 17 ASN HB3 3.41
&rst
ixpk= 0, nxpk= 0, iat= 245, 250, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, /
#
# 17 ASN H 17 ASN HD22 6.31
&rst
ixpk= 0, nxpk= 0, iat= 245, 255, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, /
#
# 17 ASN H 46 TRP HB2 5.77
&rst
ixpk= 0, nxpk= 0, iat= 245, 667, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, /
#
# 17 ASN H 46 TRP HB3 5.36
&rst
ixpk= 0, nxpk= 0, iat= 245, 668, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, /
#
# 17 ASN HA 17 ASN HD21 5.13
&rst
ixpk= 0, nxpk= 0, iat= 247, 254, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, /
#
# 17 ASN HA 18 GLY H 2.57
&rst
ixpk= 0, nxpk= 0, iat= 247, 259, r1= 1.30, r2= 1.80, r3= 2.57, r4= 3.07, /
#
# 17 ASN HB2 18 GLY H 5.36
&rst
ixpk= 0, nxpk= 0, iat= 249, 259, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, /
#
# 17 ASN HB2 20 LYS H 5.45
&rst
ixpk= 0, nxpk= 0, iat= 249, 276, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, /
#
# 17 ASN HB3 17 ASN HD21 3.83
&rst
ixpk= 0, nxpk= 0, iat= 250, 254, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, /
#
# 17 ASN HB3 18 GLY H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 250, 259, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, /
#
# 17 ASN HD21 46 TRP HH2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 254, 678, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, /
#
# 17 ASN HD21 46 TRP HZ2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 254, 676, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, /
#
# 17 ASN HD22 46 TRP HH2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 255, 678, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, /
#
# 17 ASN HD22 46 TRP HZ2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 255, 676, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, /
#
# 17 ASN HD22 46 TRP HZ3 5.86
&rst
ixpk= 0, nxpk= 0, iat= 255, 680, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, /
#
# 18 GLY H 18 GLY HA3 2.90
&rst
ixpk= 0, nxpk= 0, iat= 259, 262, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, /
#
# 18 GLY H 19 ALA H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 259, 266, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, /
#
# 18 GLY HA2 19 ALA H 3.51
&rst
ixpk= 0, nxpk= 0, iat= 261, 266, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, /
#
# 18 GLY HA2 19 ALA QB 5.58
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 270, 271, 272,
/
#
# 18 GLY HA2 20 LYS H 5.12
&rst
ixpk= 0, nxpk= 0, iat= 261, 276, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, /
#
# 18 GLY HA3 19 ALA H 3.06
&rst
ixpk= 0, nxpk= 0, iat= 262, 266, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, /
#
# 18 GLY HA3 19 ALA QB 4.38
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 270, 271, 272,
/
#
# 18 GLY HA3 20 LYS H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 262, 276, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, /
#
# 19 ALA H 19 ALA QB 2.91
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 270, 271, 272,
/
#
# 19 ALA H 20 LYS H 2.94
&rst
ixpk= 0, nxpk= 0, iat= 266, 276, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, /
#
# 19 ALA H 20 LYS HG3 5.54
&rst
ixpk= 0, nxpk= 0, iat= 266, 284, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, /
#
# 19 ALA QB 20 LYS H 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 270, 271, 272,
/
#
# 20 LYS H 20 LYS HB2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 276, 280, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, /
#
# 20 LYS H 20 LYS HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 276, 281, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, /
#
# 20 LYS H 20 LYS HD2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 276, 286, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, /
#
# 20 LYS H 20 LYS HD3 3.99
&rst
ixpk= 0, nxpk= 0, iat= 276, 287, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, /
#
# 20 LYS H 20 LYS HG2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 276, 283, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, /
#
# 20 LYS H 20 LYS HG3 3.37
&rst
ixpk= 0, nxpk= 0, iat= 276, 284, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, /
#
# 20 LYS HA 20 LYS HG3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 278, 284, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, /
#
# 20 LYS HA 21 ARG H 3.14
&rst
ixpk= 0, nxpk= 0, iat= 278, 298, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, /
#
# 20 LYS HB2 20 LYS HD3 2.71
&rst
ixpk= 0, nxpk= 0, iat= 280, 287, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, /
#
# 20 LYS HB2 46 TRP HD1 5.69
&rst
ixpk= 0, nxpk= 0, iat= 280, 671, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, /
#
# 20 LYS HB2 46 TRP HE1 4.79
&rst
ixpk= 0, nxpk= 0, iat= 280, 673, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, /
#
# 20 LYS HB3 21 ARG H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 281, 298, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, /
#
# 20 LYS HB3 46 TRP HD1 5.02
&rst
ixpk= 0, nxpk= 0, iat= 281, 671, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, /
#
# 20 LYS HB3 46 TRP HE1 4.72
&rst
ixpk= 0, nxpk= 0, iat= 281, 673, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, /
#
# 20 LYS HD3 46 TRP HE1 4.66
&rst
ixpk= 0, nxpk= 0, iat= 287, 673, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, /
#
# 20 LYS HG3 21 ARG H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 284, 298, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, /
#
# 21 ARG H 21 ARG HG2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 298, 305, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, /
#
# 21 ARG H 21 ARG HG3 4.88
&rst
ixpk= 0, nxpk= 0, iat= 298, 306, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, /
#
# 21 ARG HB2 44 ASN HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 302, 644, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, /
#
# 21 ARG HB3 21 ARG HD3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 303, 309, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, /
#
# 21 ARG HB3 21 ARG HE 4.81
&rst
ixpk= 0, nxpk= 0, iat= 303, 311, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, /
#
# 21 ARG HD2 44 ASN HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= 308, 644, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, /
#
# 21 ARG HD3 44 ASN HA 6.39
&rst
ixpk= 0, nxpk= 0, iat= 309, 644, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, /
#
# 21 ARG HE 22 CY2 HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 311, 326, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, /
#
# 21 ARG HG2 21 ARG HE 3.94
&rst
ixpk= 0, nxpk= 0, iat= 305, 311, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, /
#
# 21 ARG HG2 23 GLY H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 305, 332, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, /
#
# 21 ARG HG2 24 THR H 5.23
&rst
ixpk= 0, nxpk= 0, iat= 305, 339, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, /
#
# 21 ARG HG3 23 GLY H 3.25
&rst
ixpk= 0, nxpk= 0, iat= 306, 332, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, /
#
# 21 ARG HG3 24 THR H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 306, 339, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, /
#
# 21 ARG HG3 44 ASN HA 5.72
&rst
ixpk= 0, nxpk= 0, iat= 306, 644, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, /
#
# 23 GLY HA2 43 GLU HB3 5.64
&rst
ixpk= 0, nxpk= 0, iat= 334, 632, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, /
#
# 23 GLY HA3 43 GLU HB3 5.55
&rst
ixpk= 0, nxpk= 0, iat= 335, 632, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, /
#
# 24 THR H 24 THR QG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 345, 346, 347,
/
#
# 24 THR H 25 CY3 H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 339, 353, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, /
#
# 24 THR HA 24 THR QG2 3.16
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 345, 346, 347,
/
#
# 26 ARG HA 53 LYS QG 5.40
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 793, 794,
/
#
# 26 ARG HB2 26 ARG HD3 4.18
&rst
ixpk= 0, nxpk= 0, iat= 367, 374, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, /
#
# 26 ARG HB3 26 ARG HD3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 368, 374, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, /
#
# 26 ARG HB3 51 ALA QB 5.62
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2= 773, 774, 775,
/
#
# 26 ARG HD2 51 ALA QB 5.35
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 773, 774, 775,
/
#
# 26 ARG HD3 51 ALA QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 773, 774, 775,
/
#
# 26 ARG HG2 51 ALA QB 5.92
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr2= 773, 774, 775,
/
#
# 28 PHE HZ 30 PRO HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= 416, 458, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, /
#
# 28 PHE HZ 32 SER HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= 416, 478, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, /
#
# 28 PHE HZ 43 GLU H 4.37
&rst
ixpk= 0, nxpk= 0, iat= 416, 627, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, /
#
# 28 PHE HZ 43 GLU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 416, 629, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 28 PHE HZ 43 GLU HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 416, 631, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, /
#
# 28 PHE QE 30 PRO HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 414, 418,
/
#
# 28 PHE QE 30 PRO HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 414, 418,
/
#
# 28 PHE QE 32 SER H 6.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 414, 418,
/
#
# 28 PHE QE 33 SER H 6.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr1= 414, 418,
/
#
# 29 ARG HA 29 ARG HD2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 426, 434, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, /
#
# 29 ARG HA 29 ARG HD3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 426, 435, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, /
#
# 29 ARG HA 30 PRO HD2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 426, 449, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, /
#
# 29 ARG HB2 29 ARG HD3 3.37
&rst
ixpk= 0, nxpk= 0, iat= 428, 435, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, /
#
# 29 ARG HB2 29 ARG HE 6.18
&rst
ixpk= 0, nxpk= 0, iat= 428, 437, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, /
#
# 29 ARG HB2 33 SER HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 428, 491, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, /
#
# 29 ARG HB2 33 SER HB3 5.71
&rst
ixpk= 0, nxpk= 0, iat= 428, 492, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, /
#
# 29 ARG HB3 33 SER HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 429, 491, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, /
#
# 29 ARG HB3 33 SER HB3 5.23
&rst
ixpk= 0, nxpk= 0, iat= 429, 492, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, /
#
# 31 PRO HB2 32 SER HB3 7.78
&rst
ixpk= 0, nxpk= 0, iat= 469, 481, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, /
#
# 31 PRO HB3 32 SER H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 470, 476, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, /
#
# 31 PRO HB3 32 SER HB3 7.40
&rst
ixpk= 0, nxpk= 0, iat= 470, 481, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90, /
#
# 31 PRO HD2 32 SER H 3.31
&rst
ixpk= 0, nxpk= 0, iat= 463, 476, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, /
#
# 31 PRO HD3 32 SER H 5.16
&rst
ixpk= 0, nxpk= 0, iat= 464, 476, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, /
#
# 31 PRO HG2 32 SER H 3.87
&rst
ixpk= 0, nxpk= 0, iat= 466, 476, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, /
#
# 31 PRO HG3 32 SER H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 467, 476, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, /
#
# 32 SER H 32 SER HB2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 476, 480, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, /
#
# 32 SER H 32 SER HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 476, 481, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, /
#
# 32 SER H 33 SER H 3.58
&rst
ixpk= 0, nxpk= 0, iat= 476, 487, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, /
#
# 32 SER HA 32 SER HB3 3.01
&rst
ixpk= 0, nxpk= 0, iat= 478, 481, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, /
#
# 32 SER HA 33 SER H 3.54
&rst
ixpk= 0, nxpk= 0, iat= 478, 487, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, /
#
# 32 SER HA 41 ILE H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 478, 597, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, /
#
# 32 SER HB2 41 ILE H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 480, 597, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, /
#
# 32 SER HB3 41 ILE H 5.61
&rst
ixpk= 0, nxpk= 0, iat= 481, 597, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, /
#
# 32 SER HG 40 PRO HA 3.95
&rst
ixpk= 0, nxpk= 0, iat= 483, 593, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, /
#
# 32 SER HG 40 PRO HB2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 483, 590, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, /
#
# 32 SER HG 40 PRO HB3 4.52
&rst
ixpk= 0, nxpk= 0, iat= 483, 591, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, /
#
# 33 SER H 33 SER HB2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 487, 491, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, /
#
# 33 SER H 33 SER HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 487, 492, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, /
#
# 33 SER HB2 34 CY4 H 4.51
&rst
ixpk= 0, nxpk= 0, iat= 491, 498, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, /
#
# 33 SER HB3 34 CY4 H 4.04
&rst
ixpk= 0, nxpk= 0, iat= 492, 498, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, /
#
# 35 ILE H 35 ILE QD1 6.65
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr2= 521, 522, 523,
/
#
# 35 ILE H 35 ILE QG2 6.86
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
igr2= 514, 515, 516,
/
#
# 35 ILE HA 35 ILE QD1 4.12
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 521, 522, 523,
/
#
# 35 ILE HA 35 ILE QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 514, 515, 516,
/
#
# 35 ILE HB 35 ILE QD1 3.70
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 521, 522, 523,
/
#
# 35 ILE QG2 35 ILE HG13 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 514, 515, 516,
/
#
# 37 VAL HA 38 GLU H 3.28
&rst
ixpk= 0, nxpk= 0, iat= 543, 557, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, /
#
# 38 GLU H 38 GLU HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 557, 561, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, /
#
# 38 GLU H 38 GLU HB3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 557, 562, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, /
#
# 38 GLU H 38 GLU HG2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 557, 564, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, /
#
# 38 GLU H 38 GLU HG3 4.05
&rst
ixpk= 0, nxpk= 0, iat= 557, 565, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, /
#
# 38 GLU HA 38 GLU HG3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 559, 565, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, /
#
# 38 GLU HA 39 SER H 2.62
&rst
ixpk= 0, nxpk= 0, iat= 559, 572, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, /
#
# 38 GLU HB2 39 SER H 3.90
&rst
ixpk= 0, nxpk= 0, iat= 561, 572, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, /
#
# 38 GLU HB3 39 SER H 4.33
&rst
ixpk= 0, nxpk= 0, iat= 562, 572, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, /
#
# 38 GLU HG3 39 SER H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 565, 572, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, /
#
# 39 SER H 39 SER HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 572, 576, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, /
#
# 39 SER H 39 SER HB3 3.28
&rst
ixpk= 0, nxpk= 0, iat= 572, 577, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, /
#
# 39 SER HA 39 SER HB3 2.96
&rst
ixpk= 0, nxpk= 0, iat= 574, 577, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, /
#
# 40 PRO HA 41 ILE H 3.18
&rst
ixpk= 0, nxpk= 0, iat= 593, 597, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, /
#
# 40 PRO HB2 41 ILE H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 590, 597, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, /
#
# 40 PRO HB3 41 ILE H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 591, 597, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, /
#
# 41 ILE H 41 ILE HG12 5.30
&rst
ixpk= 0, nxpk= 0, iat= 597, 607, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, /
#
# 42 SER H 42 SER HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 616, 621, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, /
#
# 42 SER HA 43 GLU H 2.85
&rst
ixpk= 0, nxpk= 0, iat= 618, 627, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, /
#
# 42 SER HB2 43 GLU H 4.07
&rst
ixpk= 0, nxpk= 0, iat= 620, 627, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, /
#
# 42 SER HB2 44 ASN H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 620, 642, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, /
#
# 42 SER HB3 43 GLU H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 621, 627, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, /
#
# 42 SER HB3 44 ASN H 4.01
&rst
ixpk= 0, nxpk= 0, iat= 621, 642, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, /
#
# 43 GLU H 43 GLU HB2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 627, 631, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, /
#
# 43 GLU H 43 GLU HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat= 627, 632, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, /
#
# 43 GLU H 43 GLU HG2 3.15
&rst
ixpk= 0, nxpk= 0, iat= 627, 634, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, /
#
# 43 GLU H 43 GLU HG3 3.22
&rst
ixpk= 0, nxpk= 0, iat= 627, 635, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, /
#
# 43 GLU H 44 ASN H 3.34
&rst
ixpk= 0, nxpk= 0, iat= 627, 642, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, /
#
# 43 GLU HA 43 GLU HG3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 629, 635, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, /
#
# 43 GLU HB2 44 ASN H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 631, 642, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, /
#
# 43 GLU HB3 43 GLU HG3 2.98
&rst
ixpk= 0, nxpk= 0, iat= 632, 635, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, /
#
# 43 GLU HB3 44 ASN H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 632, 642, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, /
#
# 43 GLU HG2 44 ASN H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 634, 642, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 43 GLU HG2 44 ASN HD21 6.31
&rst
ixpk= 0, nxpk= 0, iat= 634, 651, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, /
#
# 43 GLU HG3 44 ASN H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 635, 642, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, /
#
# 43 GLU HG3 44 ASN HD22 9.21
&rst
ixpk= 0, nxpk= 0, iat= 635, 652, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71, /
#
# 44 ASN H 44 ASN HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 642, 646, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, /
#
# 44 ASN H 44 ASN HB3 3.22
&rst
ixpk= 0, nxpk= 0, iat= 642, 647, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, /
#
# 44 ASN H 45 GLY H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 642, 656, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, /
#
# 44 ASN HA 44 ASN HD21 6.80
&rst
ixpk= 0, nxpk= 0, iat= 644, 651, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, /
#
# 44 ASN HB2 44 ASN HD21 3.86
&rst
ixpk= 0, nxpk= 0, iat= 646, 651, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, /
#
# 44 ASN HB3 44 ASN HD21 3.31
&rst
ixpk= 0, nxpk= 0, iat= 647, 651, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, /
#
# 44 ASN HB3 44 ASN HD22 3.74
&rst
ixpk= 0, nxpk= 0, iat= 647, 652, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, /
#
# 46 TRP HH2 48 ARG HA 3.33
&rst
ixpk= 0, nxpk= 0, iat= 678, 707, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, /
#
# 46 TRP HH2 48 ARG HG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 678, 712, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, /
#
# 46 TRP HH2 48 ARG HG3 4.36
&rst
ixpk= 0, nxpk= 0, iat= 678, 713, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, /
#
# 46 TRP HH2 48 ARG QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 709, 710,
/
#
# 46 TRP HZ2 48 ARG HA 3.55
&rst
ixpk= 0, nxpk= 0, iat= 676, 707, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, /
#
# 46 TRP HZ3 48 ARG HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= 680, 707, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, /
#
# 46 TRP HZ3 48 ARG HG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 680, 712, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, /
#
# 46 TRP HZ3 48 ARG HG3 5.14
&rst
ixpk= 0, nxpk= 0, iat= 680, 713, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, /
#
# 46 TRP HZ3 48 ARG QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 709, 710,
/
#
# 48 ARG HA 48 ARG HG3 4.23
&rst
ixpk= 0, nxpk= 0, iat= 707, 713, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, /
#
# 48 ARG QB 48 ARG HD2 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 709, 710,
/
#
# 48 ARG QB 48 ARG HD3 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 709, 710,
/
#
# 48 ARG QB 48 ARG HE 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 709, 710,
/
#
# 48 ARG QB 48 ARG HG2 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr1= 709, 710,
/
#
# 51 ALA HA 52 GLY H 2.86
&rst
ixpk= 0, nxpk= 0, iat= 771, 779, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, /
#
# 51 ALA QB 52 GLY H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 773, 774, 775,
/
#
# 52 GLY H 52 GLY HA2 2.81
&rst
ixpk= 0, nxpk= 0, iat= 779, 781, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, /
#
# 52 GLY HA2 53 LYS H 3.48
&rst
ixpk= 0, nxpk= 0, iat= 781, 786, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, /
#
# 52 GLY HA2 54 ALA H 8.07
&rst
ixpk= 0, nxpk= 0, iat= 781, 808, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57, /
#
# 52 GLY HA3 53 LYS H 3.18
&rst
ixpk= 0, nxpk= 0, iat= 782, 786, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, /
#
# 53 LYS H 53 LYS QB 3.75
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 790, 791,
/
#
# 53 LYS H 53 LYS QD 3.44
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 796, 797,
/
#
# 53 LYS H 53 LYS QG 3.92
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 793, 794,
/
#
# 53 LYS H 54 ALA H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 786, 808, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, /
#
# 53 LYS HA 53 LYS QD 3.18
&rst
ixpk= 0, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 796, 797,
/
#
# 53 LYS HA 53 LYS QG 2.79
&rst
ixpk= 0, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2= 793, 794,
/
#
# 53 LYS HA 54 ALA H 3.06
&rst
ixpk= 0, nxpk= 0, iat= 788, 808, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, /
#
# 53 LYS QB 53 LYS QD 2.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr1= 790, 791,
igr2= 796, 797,
/
#
# 53 LYS QB 54 ALA H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 790, 791,
/
#
# 53 LYS QD 54 ALA H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 796, 797,
/
#
# 54 ALA H 54 ALA QB 3.22
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 812, 813, 814,
/
#
# 27 GLN N 25 CY3 SG3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 386, 359, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, /
#
# 49 LEU N 47 CYF SGF 3.70
&rst
ixpk= 0, nxpk= 0, iat= 728, 693, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, /
#
# 37 VAL N 34 CY4 SG4 3.70
&rst
ixpk= 0, nxpk= 0, iat= 540, 504, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, /
#
# 8 LYS H 47 CYF FE4 9.60
&rst
ixpk= 0, nxpk= 0, iat= 116, 694, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10, /
#
# 11 GLY H 47 CYF FE4 10.0
&rst
ixpk= 0, nxpk= 0, iat= 160, 694, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50, /
#
# 12 TYR H 47 CYF FE4 9.20
&rst
ixpk= 0, nxpk= 0, iat= 167, 694, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70, /
#
# 12 TYR QD 47 CYF FE3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 175, 184,
/
#
# 13 GLN H 47 CYF FE3 7.50
&rst
ixpk= 0, nxpk= 0, iat= 188, 696, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, /
#
# 17 ASN H 47 CYF FE3 8.80
&rst
ixpk= 0, nxpk= 0, iat= 245, 696, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30, /
#
# 20 LYS H 47 CYF FE3 12.00
&rst
ixpk= 0, nxpk= 0, iat= 276, 696, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50, /
#
# 21 ARG H 47 CYF FE3 9.00
&rst
ixpk= 0, nxpk= 0, iat= 298, 696, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 22 CY2 H 47 CYF FE3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 322, 696, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 23 GLY H 47 CYF FE3 6.70
&rst
ixpk= 0, nxpk= 0, iat= 332, 696, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 24 THR H 47 CYF FE2 8.30
&rst
ixpk= 0, nxpk= 0, iat= 339, 698, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 25 CY3 H 47 CYF FE2 6.10
&rst
ixpk= 0, nxpk= 0, iat= 353, 698, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 26 ARG H 47 CYF FE2 6.20
&rst
ixpk= 0, nxpk= 0, iat= 363, 698, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 27 GLN H 47 CYF FE2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 387, 698, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 28 PHE H 47 CYF FE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 404, 698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 28 PHE H 47 CYF FE1 5.80
&rst
ixpk= 0, nxpk= 0, iat= 404, 700, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 28 PHE QD 47 CYF FE1 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1= 412, 420,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0
/
#
# 28 PHE QD 47 CYF FE3 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1= 412, 420,
/
#
# 29 ARG H 47 CYF FE1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 424, 700, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 33 SER H 47 CYF FE1 9.00
&rst
ixpk= 0, nxpk= 0, iat= 487, 700, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50, /
#
# 34 CY4 H 47 CYF FE1 7.10
&rst
ixpk= 0, nxpk= 0, iat= 498, 700, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, /
#
# 35 ILE H 47 CYF FE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 508, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 36 THR H 47 CYF FE1 5.20
&rst
ixpk= 0, nxpk= 0, iat= 527, 700, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 37 VAL H 47 CYF FE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 541, 700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 41 ILE H 47 CYF FE1 9.00
&rst
ixpk= 0, nxpk= 0, iat= 597, 700, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50, /
#
# 42 SER H 47 CYF FE1 8.10
&rst
ixpk= 0, nxpk= 0, iat= 616, 700, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60, /
#
# 44 ASN H 47 CYF FE3 9.00
&rst
ixpk= 0, nxpk= 0, iat= 642, 696, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50, /
#
# 45 GLY H 47 CYF FE3 6.80
&rst
ixpk= 0, nxpk= 0, iat= 656, 696, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 46 TRP H 47 CYF FE3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 663, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 47 CYF H 47 CYF FE4 4.80
&rst
ixpk= 0, nxpk= 0, iat= 687, 694, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 48 ARG H 47 CYF FE4 6.10
&rst
ixpk= 0, nxpk= 0, iat= 705, 694, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 49 LEU H 47 CYF FE4 5.00
&rst
ixpk= 0, nxpk= 0, iat= 729, 694, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 50 TYR QD 47 CYF FE2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 756, 765,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0
/
#
# 50 TYR H 47 CYF FE4 6.20
&rst
ixpk= 0, nxpk= 0, iat= 748, 694, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 51 ALA H 47 CYF FE2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 769, 698, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, /
#
# 46 TRP HE1 47 CYF FE4 7.50
&rst
ixpk= 0, nxpk= 0, iat= 673, 694, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, /
#
# 46 TRP HE1 47 CYF FE3 7.40
&rst
ixpk= 0, nxpk= 0, iat= 673, 696, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90, /
#
# 46 TRP HD1 47 CYF FE4 6.30
&rst
ixpk= 0, nxpk= 0, iat= 671, 694, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, /
#
# 46 TRP HD1 47 CYF FE3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 671, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 22 CY2 HB3 43 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 327, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 22 CY2 HB3 21 ARG HG3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 327, 306, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, /
#
# 22 CY2 HB3 23 GLY H 6.20
&rst
ixpk= 0, nxpk= 0, iat= 327, 332, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, /
#
# 22 CY2 HB3 28 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 412, 420,
/
#
# 22 CY2 HB3 28 PHE QE 5.30
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 414, 418,
/
#
# 34 CY4 HB3 37 VAL H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 503, 541, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, /
#
# 34 CY4 HB3 41 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 503, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 22 CY2 HB3 47 CYF FE3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 327, 696, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, /
#
# 22 CY2 HB2 47 CYF FE3 4.46
&rst
ixpk= 0, nxpk= 0, iat= 326, 696, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, /
#
# 25 CY3 HB3 47 CYF FE2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 358, 698, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, /
#
# 25 CY3 HB2 47 CYF FE2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 357, 698, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, /
#
# 34 CY4 HB2 47 CYF FE1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 502, 700, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, /
#
# 47 CYF HB2 47 CYF FE4 4.30
&rst
ixpk= 0, nxpk= 0, iat= 691, 694, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, /
#
# 47 CYF HB3 47 CYF FE4 3.62
&rst
ixpk= 0, nxpk= 0, iat= 692, 694, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, /
#
# 22 CY2 CB 47 CYF FE3 3.30
&rst
ixpk= 0, nxpk= 0, iat= 325, 696, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 25 CY3 CB 47 CYF FE2 3.20
&rst
ixpk= 0, nxpk= 0, iat= 356, 698, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, /
#
# 25 CY3 CA 47 CYF FE2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 354, 698, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, /
#
# 34 CY4 CB 47 CYF FE1 3.20
&rst
ixpk= 0, nxpk= 0, iat= 501, 700, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, /
#
# 47 CYF CB 47 CYF FE4 3.40
&rst
ixpk= 0, nxpk= 0, iat= 690, 694, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, /
#
# 22 CY2 HA 47 CYF FE3 5.21
&rst
ixpk= 0, nxpk= 0, iat= 324, 696, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, /
#
# 25 CY3 HA 47 CYF FE2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 355, 698, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, /
#
# 34 CY4 HA 47 CYF FE1 4.76
&rst
ixpk= 0, nxpk= 0, iat= 500, 700, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, /
#
# 7 HIS HA 47 CYF FE4 7.25
&rst
ixpk= 0, nxpk= 0, iat= 101, 694, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75, /
#
# 10 ALA HA 47 CYF FE4 7.68
&rst
ixpk= 0, nxpk= 0, iat= 152, 694, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18, /
#
# 11 GLY HA2 47 CYF FE4 9.13
&rst
ixpk= 0, nxpk= 0, iat= 162, 694, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, /
#
# 12 TYR HA 47 CYF FE4 6.49
&rst
ixpk= 0, nxpk= 0, iat= 169, 694, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, /
#
# 14 GLU HA 47 CYF FE3 9.74
&rst
ixpk= 0, nxpk= 0, iat= 207, 696, r1= 1.30, r2= 1.80, r3= 9.74, r4=10.24, /
#
# 16 PRO HA 47 CYF FE3 9.15
&rst
ixpk= 0, nxpk= 0, iat= 241, 696, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65, /
#
# 20 LYS HA 47 CYF FE2 8.59
&rst
ixpk= 0, nxpk= 0, iat= 278, 698, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09, /
#
# 21 ARG HA 47 CYF FE3 5.90
&rst
ixpk= 0, nxpk= 0, iat= 300, 696, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, /
#
# 23 GLY HA3 47 CYF FE3 7.70
&rst
ixpk= 0, nxpk= 0, iat= 335, 696, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, /
#
# 23 GLY HA2 47 CYF FE3 8.30
&rst
ixpk= 0, nxpk= 0, iat= 334, 696, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80, /
#
# 26 ARG HA 47 CYF FE2 8.24
&rst
ixpk= 0, nxpk= 0, iat= 365, 698, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74, /
#
# 27 GLN HA 47 CYF FE2 6.90
&rst
ixpk= 0, nxpk= 0, iat= 389, 698, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, /
#
# 29 ARG HA 47 CYF FE1 9.20
&rst
ixpk= 0, nxpk= 0, iat= 426, 700, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70, /
#
# 32 SER HA 47 CYF FE1 9.47
&rst
ixpk= 0, nxpk= 0, iat= 478, 700, r1= 1.30, r2= 1.80, r3= 9.47, r4= 9.97, /
#
# 35 ILE HA 47 CYF FE1 7.64
&rst
ixpk= 0, nxpk= 0, iat= 510, 700, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, /
#
# 37 VAL HA 47 CYF FE1 6.40
&rst
ixpk= 0, nxpk= 0, iat= 543, 700, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, /
#
# 38 GLU HA 47 CYF FE1 9.82
&rst
ixpk= 0, nxpk= 0, iat= 559, 700, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32, /
#
# 39 SER HA 47 CYF FE1 8.55
&rst
ixpk= 0, nxpk= 0, iat= 574, 700, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05, /
#
# 40 PRO HA 47 CYF FE1 12.02
&rst
ixpk= 0, nxpk= 0, iat= 593, 700, r1= 1.30, r2= 1.80, r3=12.02, r4=12.52, /
#
# 41 ILE HA 47 CYF FE3 9.80
&rst
ixpk= 0, nxpk= 0, iat= 599, 696, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30, /
#
# 42 SER HA 47 CYF FE3 9.00
&rst
ixpk= 0, nxpk= 0, iat= 618, 696, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50, /
#
# 43 GLU HA 47 CYF FE3 6.53
&rst
ixpk= 0, nxpk= 0, iat= 629, 696, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, /
#
# 44 ASN HA 47 CYF FE3 8.74
&rst
ixpk= 0, nxpk= 0, iat= 644, 696, r1= 1.30, r2= 1.80, r3= 8.74, r4= 9.24, /
#
# 45 GLY HA2 47 CYF FE3 6.64
&rst
ixpk= 0, nxpk= 0, iat= 658, 696, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, /
#
# 45 GLY HA3 47 CYF FE3 7.13
&rst
ixpk= 0, nxpk= 0, iat= 659, 696, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, /
#
# 48 ARG HA 47 CYF FE4 6.76
&rst
ixpk= 0, nxpk= 0, iat= 707, 694, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26, /
#
# 49 LEU HA 47 CYF FE4 6.89
&rst
ixpk= 0, nxpk= 0, iat= 731, 694, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, /
#
# 51 ALA HA 47 CYF FE2 8.00
&rst
ixpk= 0, nxpk= 0, iat= 771, 698, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, /
#
# 51 ALA QB 47 CYF FE2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 773, 774, 775,
/
#
# 52 GLY HA2 47 CYF FE2 10.32
&rst
ixpk= 0, nxpk= 0, iat= 781, 698, r1= 1.30, r2= 1.80, r3=10.32, r4=10.82, /
#
# 53 LYS HA 47 CYF FE2 11.92
&rst
ixpk= 0, nxpk= 0, iat= 788, 698, r1= 1.30, r2= 1.80, r3=11.92, r4=12.42, /
#
# 4 LYS HB2 47 CYF FE1 10.73
&rst
ixpk= 0, nxpk= 0, iat= 60, 700, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23, /
#
# 4 LYS HB3 47 CYF FE1 9.79
&rst
ixpk= 0, nxpk= 0, iat= 61, 700, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29, /
#
# 5 ALA QB 47 CYF FE1 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 82, 83, 84,
/
#
# 7 HIS HB2 47 CYF FE3 10.40
&rst
ixpk= 0, nxpk= 0, iat= 103, 696, r1= 1.30, r2= 1.80, r3=10.40, r4=10.90, /
#
# 7 HIS HB3 47 CYF FE3 10.26
&rst
ixpk= 0, nxpk= 0, iat= 104, 696, r1= 1.30, r2= 1.80, r3=10.26, r4=10.76, /
#
# 10 ALA QB 47 CYF FE4 8.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3=10.45, r4=10.95,
igr1= 154, 155, 156,
/
#
# 12 TYR HB2 47 CYF FE3 6.01
&rst
ixpk= 0, nxpk= 0, iat= 171, 696, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, /
#
# 12 TYR HB3 47 CYF FE3 6.56
&rst
ixpk= 0, nxpk= 0, iat= 172, 696, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, /
#
# 16 PRO HB2 47 CYF FE3 10.45
&rst
ixpk= 0, nxpk= 0, iat= 238, 696, r1= 1.30, r2= 1.80, r3=10.45, r4=10.95, /
#
# 16 PRO HB3 47 CYF FE3 12.00
&rst
ixpk= 0, nxpk= 0, iat= 239, 696, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50, /
#
# 17 ASN HB2 47 CYF FE4 9.69
&rst
ixpk= 0, nxpk= 0, iat= 249, 694, r1= 1.30, r2= 1.80, r3= 9.69, r4=10.19, /
#
# 17 ASN HB3 47 CYF FE4 10.07
&rst
ixpk= 0, nxpk= 0, iat= 250, 694, r1= 1.30, r2= 1.80, r3=10.07, r4=10.57, /
#
# 20 LYS HB2 47 CYF FE2 9.00
&rst
ixpk= 0, nxpk= 0, iat= 280, 698, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50, /
#
# 20 LYS HB3 47 CYF FE2 8.90
&rst
ixpk= 0, nxpk= 0, iat= 281, 698, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, /
#
# 21 ARG HB2 47 CYF FE3 7.69
&rst
ixpk= 0, nxpk= 0, iat= 302, 696, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19, /
#
# 24 THR HB 47 CYF FE2 9.70
&rst
ixpk= 0, nxpk= 0, iat= 343, 698, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20, /
#
# 26 ARG HB2 47 CYF FE2 7.70
&rst
ixpk= 0, nxpk= 0, iat= 367, 698, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, /
#
# 26 ARG HB3 47 CYF FE2 9.25
&rst
ixpk= 0, nxpk= 0, iat= 368, 698, r1= 1.30, r2= 1.80, r3= 9.25, r4= 9.75, /
#
# 28 PHE QB 47 CYF FE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 408, 409,
/
#
# 28 PHE QB 47 CYF FE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 408, 409,
/
#
# 29 ARG HB2 47 CYF FE1 8.87
&rst
ixpk= 0, nxpk= 0, iat= 428, 700, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37, /
#
# 29 ARG HB3 47 CYF FE1 8.40
&rst
ixpk= 0, nxpk= 0, iat= 429, 700, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, /
#
# 33 SER HB2 47 CYF FE1 8.52
&rst
ixpk= 0, nxpk= 0, iat= 491, 700, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02, /
#
# 33 SER HB3 47 CYF FE1 8.61
&rst
ixpk= 0, nxpk= 0, iat= 492, 700, r1= 1.30, r2= 1.80, r3= 8.61, r4= 9.11, /
#
# 35 ILE HB 47 CYF FE1 7.12
&rst
ixpk= 0, nxpk= 0, iat= 512, 700, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, /
#
# 38 GLU HB2 47 CYF FE1 9.86
&rst
ixpk= 0, nxpk= 0, iat= 561, 700, r1= 1.30, r2= 1.80, r3= 9.86, r4=10.36, /
#
# 38 GLU HB3 47 CYF FE1 9.82
&rst
ixpk= 0, nxpk= 0, iat= 562, 700, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32, /
#
# 41 ILE HB 47 CYF FE1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 601, 700, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 42 SER HB2 47 CYF FE3 8.61
&rst
ixpk= 0, nxpk= 0, iat= 620, 696, r1= 1.30, r2= 1.80, r3= 8.61, r4= 9.11, /
#
# 42 SER HB3 47 CYF FE3 7.71
&rst
ixpk= 0, nxpk= 0, iat= 621, 696, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21, /
#
# 43 GLU HB2 47 CYF FE1 9.41
&rst
ixpk= 0, nxpk= 0, iat= 631, 700, r1= 1.30, r2= 1.80, r3= 9.41, r4= 9.91, /
#
# 43 GLU HB3 47 CYF FE1 10.15
&rst
ixpk= 0, nxpk= 0, iat= 632, 700, r1= 1.30, r2= 1.80, r3=10.15, r4=10.65, /
#
# 44 ASN HB3 47 CYF FE3 11.96
&rst
ixpk= 0, nxpk= 0, iat= 647, 696, r1= 1.30, r2= 1.80, r3=11.96, r4=12.46, /
#
# 46 TRP HB2 47 CYF FE3 6.49
&rst
ixpk= 0, nxpk= 0, iat= 667, 696, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, /
#
# 46 TRP HB3 47 CYF FE3 6.30
&rst
ixpk= 0, nxpk= 0, iat= 668, 696, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, /
#
# 48 ARG QB 47 CYF FE4 10.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 709, 710,
/
#
# 51 ALA QB 47 CYF FE2 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 773, 774, 775,
/
#
# 53 LYS QB 47 CYF FE2 9.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3=11.16, r4=11.66,
igr1= 790, 791,
/
#
# 3 LYS QD 47 CYF FE1 13.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3=15.18, r4=15.68,
igr1= 44, 45,
/
#
# 20 LYS HD2 47 CYF FE2 10.40
&rst
ixpk= 0, nxpk= 0, iat= 286, 698, r1= 1.30, r2= 1.80, r3=10.40, r4=10.90, /
#
# 20 LYS HD3 47 CYF FE2 9.80
&rst
ixpk= 0, nxpk= 0, iat= 287, 698, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30, /
#
# 8 LYS HD2 47 CYF FE4 12.34
&rst
ixpk= 0, nxpk= 0, iat= 126, 694, r1= 1.30, r2= 1.80, r3=12.34, r4=12.84, /
#
# 8 LYS HD3 47 CYF FE4 12.73
&rst
ixpk= 0, nxpk= 0, iat= 127, 694, r1= 1.30, r2= 1.80, r3=12.73, r4=13.23, /
#
# 16 PRO HD2 47 CYF FE3 14.48
&rst
ixpk= 0, nxpk= 0, iat= 232, 696, r1= 1.30, r2= 1.80, r3=14.48, r4=14.98, /
#
# 16 PRO HD3 47 CYF FE3 13.37
&rst
ixpk= 0, nxpk= 0, iat= 233, 696, r1= 1.30, r2= 1.80, r3=13.37, r4=13.87, /
#
# 30 PRO HD2 47 CYF FE1 10.98
&rst
ixpk= 0, nxpk= 0, iat= 449, 700, r1= 1.30, r2= 1.80, r3=10.98, r4=11.48, /
#
# 30 PRO HD3 47 CYF FE1 9.71
&rst
ixpk= 0, nxpk= 0, iat= 450, 700, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21, /
#
# 21 ARG HD2 47 CYF FE3 9.96
&rst
ixpk= 0, nxpk= 0, iat= 308, 696, r1= 1.30, r2= 1.80, r3= 9.96, r4=10.46, /
#
# 21 ARG HD3 47 CYF FE3 10.03
&rst
ixpk= 0, nxpk= 0, iat= 309, 696, r1= 1.30, r2= 1.80, r3=10.03, r4=10.53, /
#
# 26 ARG HD2 47 CYF FE2 10.00
&rst
ixpk= 0, nxpk= 0, iat= 373, 698, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50, /
#
# 26 ARG HD3 47 CYF FE2 9.30
&rst
ixpk= 0, nxpk= 0, iat= 374, 698, r1= 1.30, r2= 1.80, r3=9.30, r4=9.80, /
#
# 29 ARG HD2 47 CYF FE1 10.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 700, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50, /
#
# 29 ARG HD3 47 CYF FE1 9.71
&rst
ixpk= 0, nxpk= 0, iat= 435, 700, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21, /
#
# 48 ARG HD2 47 CYF FE4 11.36
&rst
ixpk= 0, nxpk= 0, iat= 715, 694, r1= 1.30, r2= 1.80, r3=11.36, r4=11.86, /
#
# 48 ARG HD3 47 CYF FE4 9.71
&rst
ixpk= 0, nxpk= 0, iat= 716, 694, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21, /
#
# 53 LYS QD 47 CYF FE2 10.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3=11.85, r4=12.35,
igr1= 796, 797,
/
#
# 35 ILE QD1 47 CYF FE1 9.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 521, 522, 523,
/
#
# 41 ILE QD1 47 CYF FE1 12.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3=15.14, r4=15.64,
igr1= 610, 611, 612,
/
#
# 49 LEU QD2 47 CYF FE4 9.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3=10.94, r4=11.44,
igr1= 742, 743, 744,
/
#
# 4 LYS HG2 47 CYF FE1 10.48
&rst
ixpk= 0, nxpk= 0, iat= 63, 700, r1= 1.30, r2= 1.80, r3=10.48, r4=10.98, /
#
# 4 LYS HG3 47 CYF FE1 9.02
&rst
ixpk= 0, nxpk= 0, iat= 64, 700, r1= 1.30, r2= 1.80, r3= 9.02, r4= 9.52, /
#
# 4 LYS HE2 47 CYF FE1 10.14
&rst
ixpk= 0, nxpk= 0, iat= 69, 700, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64, /
#
# 4 LYS HE3 47 CYF FE1 9.85
&rst
ixpk= 0, nxpk= 0, iat= 70, 700, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35, /
#
# 13 GLN HG2 47 CYF FE4 9.83
&rst
ixpk= 0, nxpk= 0, iat= 195, 694, r1= 1.30, r2= 1.80, r3= 9.83, r4=10.33, /
#
# 13 GLN HG3 47 CYF FE4 9.78
&rst
ixpk= 0, nxpk= 0, iat= 196, 694, r1= 1.30, r2= 1.80, r3= 9.78, r4=10.28, /
#
# 14 GLU QG 47 CYF FE3 11.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3=12.44, r4=12.94,
igr1= 212, 213,
/
#
# 16 PRO HG3 47 CYF FE3 9.18
&rst
ixpk= 0, nxpk= 0, iat= 236, 696, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68, /
#
# 20 LYS HG2 47 CYF FE2 9.99
&rst
ixpk= 0, nxpk= 0, iat= 283, 698, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, /
#
# 20 LYS HG3 47 CYF FE2 10.24
&rst
ixpk= 0, nxpk= 0, iat= 284, 698, r1= 1.30, r2= 1.80, r3=10.24, r4=10.74, /
#
# 21 ARG HG2 47 CYF FE3 9.65
&rst
ixpk= 0, nxpk= 0, iat= 305, 696, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, /
#
# 21 ARG HG3 47 CYF FE3 8.46
&rst
ixpk= 0, nxpk= 0, iat= 306, 696, r1= 1.30, r2= 1.80, r3= 8.46, r4= 8.96, /
#
# 24 THR QG2 47 CYF FE3 11.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3=14.01, r4=14.51,
igr1= 345, 346, 347,
/
#
# 26 ARG HG2 47 CYF FE2 8.26
&rst
ixpk= 0, nxpk= 0, iat= 370, 698, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76, /
#
# 26 ARG HG3 47 CYF FE2 8.89
&rst
ixpk= 0, nxpk= 0, iat= 371, 698, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39, /
#
# 29 ARG HG2 47 CYF FE1 9.21
&rst
ixpk= 0, nxpk= 0, iat= 431, 700, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71, /
#
# 29 ARG HG3 47 CYF FE1 9.55
&rst
ixpk= 0, nxpk= 0, iat= 432, 700, r1= 1.30, r2= 1.80, r3= 9.55, r4=10.05, /
#
# 35 ILE HG12 47 CYF FE1 8.82
&rst
ixpk= 0, nxpk= 0, iat= 518, 700, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32, /
#
# 35 ILE HG13 47 CYF FE1 7.97
&rst
ixpk= 0, nxpk= 0, iat= 519, 700, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47, /
#
# 35 ILE QG2 47 CYF FE1 8.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3=10.28, r4=10.78,
igr1= 514, 515, 516,
/
#
# 37 VAL QG2 47 CYF FE4 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 551, 552, 553,
/
#
# 41 ILE HG12 47 CYF FE1 6.28
&rst
ixpk= 0, nxpk= 0, iat= 607, 700, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, /
#
# 41 ILE HG13 47 CYF FE1 6.10
&rst
ixpk= 0, nxpk= 0, iat= 608, 700, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, /
#
# 41 ILE QG2 47 CYF FE1 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 603, 604, 605,
/
#
# 38 GLU HG2 47 CYF FE1 12.01
&rst
ixpk= 0, nxpk= 0, iat= 564, 700, r1= 1.30, r2= 1.80, r3=12.01, r4=12.51, /
#
# 38 GLU HG3 47 CYF FE1 12.30
&rst
ixpk= 0, nxpk= 0, iat= 565, 700, r1= 1.30, r2= 1.80, r3=12.30, r4=12.80, /
#
# 43 GLU HG2 47 CYF FE1 11.07
&rst
ixpk= 0, nxpk= 0, iat= 634, 700, r1= 1.30, r2= 1.80, r3=11.07, r4=11.57, /
#
# 48 ARG HG2 47 CYF FE4 8.67
&rst
ixpk= 0, nxpk= 0, iat= 712, 694, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17, /
#
# 48 ARG HG2 47 CYF FE4 8.90
&rst
ixpk= 0, nxpk= 0, iat= 712, 694, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, /
#
# 49 LEU HG 47 CYF FE4 10.43
&rst
ixpk= 0, nxpk= 0, iat= 736, 694, r1= 1.30, r2= 1.80, r3=10.43, r4=10.93, /
#
# 53 LYS QG 47 CYF FE2 10.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 793, 794,
/
#
# 47 CYF FE1 47 CYF S2 2.32
&rst
ixpk= 0, nxpk= 0, iat= 700, 701, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, /
#
# 47 CYF FE1 47 CYF S4 2.32
&rst
ixpk= 0, nxpk= 0, iat= 700, 697, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, /
#
# 47 CYF FE2 47 CYF S1 2.32
&rst
ixpk= 0, nxpk= 0, iat= 698, 695, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, /
#
# 47 CYF FE2 47 CYF S3 2.32
&rst
ixpk= 0, nxpk= 0, iat= 698, 699, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, /
#
# 47 CYF FE3 47 CYF S4 2.32
&rst
ixpk= 0, nxpk= 0, iat= 696, 697, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, /
#
# 47 CYF FE3 47 CYF S1 2.32
&rst
ixpk= 0, nxpk= 0, iat= 696, 695, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, /
#
# 47 CYF FE4 47 CYF S2 2.32
&rst
ixpk= 0, nxpk= 0, iat= 694, 701, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, /
#
# 47 CYF FE4 47 CYF S3 2.32
&rst
ixpk= 0, nxpk= 0, iat= 694, 699, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, /
#
# 47 CYF S1 47 CYF S4 3.60
&rst
ixpk= 0, nxpk= 0, iat= 695, 697, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, /
#
# 47 CYF S1 47 CYF S3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 695, 699, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, /
#
# 47 CYF S1 47 CYF S2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 695, 701, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, /
#
# 47 CYF S2 47 CYF S3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 701, 699, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, /
#
# 47 CYF S2 47 CYF S4 3.60
&rst
ixpk= 0, nxpk= 0, iat= 701, 697, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, /
#
# 47 CYF S4 47 CYF S3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 697, 699, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, /
#
# 47 CYF FE4 47 CYF FE2 2.75
&rst
ixpk= 0, nxpk= 0, iat= 694, 698, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, /
#
# 47 CYF FE4 47 CYF FE1 2.75
&rst
ixpk= 0, nxpk= 0, iat= 694, 700, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, /
#
# 47 CYF FE4 47 CYF FE3 2.75
&rst
ixpk= 0, nxpk= 0, iat= 694, 696, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, /
#
# 47 CYF FE3 47 CYF FE1 2.75
&rst
ixpk= 0, nxpk= 0, iat= 696, 700, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, /
#
# 47 CYF FE3 47 CYF FE2 2.75
&rst
ixpk= 0, nxpk= 0, iat= 696, 698, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, /
#
# 47 CYF FE2 47 CYF FE1 2.75
&rst
ixpk= 0, nxpk= 0, iat= 698, 700, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, /
#
# 22 CY2 SG2 25 CY3 SG3 6.10
&rst
ixpk= 0, nxpk= 0, iat= 328, 359, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, /
#
# 47 CYF SGF 25 CY3 SG3 6.10
&rst
ixpk= 0, nxpk= 0, iat= 693, 359, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, /
#
# 47 CYF SGF 22 CY2 SG2 6.10
&rst
ixpk= 0, nxpk= 0, iat= 693, 328, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, /
#
# 25 CY3 SG3 34 CY4 SG4 6.10
&rst
ixpk= 0, nxpk= 0, iat= 359, 504, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, /
#
# 22 CY2 SG2 34 CY4 SG4 6.10
&rst
ixpk= 0, nxpk= 0, iat= 328, 504, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, /
#
# 47 CYF SGF 34 CY4 SG4 6.10
&rst
ixpk= 0, nxpk= 0, iat= 693, 504, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, /
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