NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
576843 |
2men   |
19527 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 3 ALA HN 3 ALA QB 4.09
&rst
ixpk= 0, nxpk= 0, iat= 22, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr2= 26, 27, 28,
&end
#
# 24 ILE HN 24 ILE HG12 4.29
&rst
ixpk= 0, nxpk= 0, iat= 332, 342, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 24 ILE HN 24 ILE HG13 4.29
&rst
ixpk= 0, nxpk= 0, iat= 332, 343, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 24 ILE HN 24 ILE QG2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 338, 339, 340,
&end
#
# 13 SER HN 13 SER QB 3.21
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 191, 192,
&end
#
# 29 LYS HN 29 LYS HB2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 398, 402, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 26 GLU HN 26 GLU QB 3.63
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 362, 363,
&end
#
# 16 SER QB 17 LEU HG 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 222, 223,
&end
#
# 14 CYX HA 16 SER HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 200, 218, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 27 GLU HN 27 GLU HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 373, 377, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 27 GLU HN 27 GLU HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat= 373, 378, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 16 SER HN 16 SER QB 3.31
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 222, 223,
&end
#
# 11 GLU HN 11 GLU HB2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 153, 157, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 11 GLU HN 11 GLU HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat= 153, 158, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 11 GLU HA 11 GLU HG2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 155, 160, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 12 LEU HN 12 LEU HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 168, 173, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 12 LEU HN 12 LEU HG 3.38
&rst
ixpk= 0, nxpk= 0, iat= 168, 175, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 14 CYX HN 14 CYX QB 3.06
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 202, 203,
&end
#
# 14 CYX QB 15 ALA HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 202, 203,
&end
#
# 22 LYS HN 22 LYS QB 4.09
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 304, 305,
&end
#
# 23 CYX HN 24 ILE HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 322, 332, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 23 CYX HA 24 ILE HN 2.95
&rst
ixpk= 0, nxpk= 0, iat= 324, 332, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 23 CYX HB2 24 ILE HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 326, 332, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 23 CYX HB3 24 ILE HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 327, 332, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 24 ILE HB 25 GLY HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 336, 351, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 24 ILE HG12 25 GLY HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= 342, 351, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 24 ILE HG13 25 GLY HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= 343, 351, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 24 ILE QG2 25 GLY HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 338, 339, 340,
&end
#
# 24 ILE QD1 25 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 345, 346, 347,
&end
#
# 27 GLU HG3 28 CYX HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 381, 388, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 27 GLU HB2 28 CYX HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 377, 388, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 27 GLU HB3 28 CYX HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 378, 388, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 23 CYX HN 23 CYX HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 322, 327, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 22 LYS HA 23 CYX HN 2.95
&rst
ixpk= 0, nxpk= 0, iat= 302, 322, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 22 LYS QB 23 CYX HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 304, 305,
&end
#
# 21 GLY HA3 22 LYS HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 296, 300, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 21 GLY HA2 22 LYS HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 295, 300, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 12 LEU HG 13 SER HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 175, 187, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 11 GLU HB2 12 LEU HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= 157, 168, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 11 GLU HB3 12 LEU HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 158, 168, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 17 LEU HN 17 LEU HG 3.25
&rst
ixpk= 0, nxpk= 0, iat= 229, 236, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 17 LEU HN 17 LEU QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 238, 239, 240,
&end
#
# 17 LEU HN 17 LEU QD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 242, 243, 244,
&end
#
# 16 SER QB 17 LEU HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 222, 223,
&end
#
# 17 LEU HN 17 LEU QB 3.36
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 233, 234,
&end
#
# 15 ALA HA 19 LEU HN 3.39
&rst
ixpk= 0, nxpk= 0, iat= 210, 255, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 19 LEU HN 19 LEU HG 3.45
&rst
ixpk= 0, nxpk= 0, iat= 255, 262, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 19 LEU HN 19 LEU QD2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 268, 269, 270,
&end
#
# 28 CYX HN 28 CYX HB2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 388, 392, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 28 CYX HN 28 CYX HB3 3.42
&rst
ixpk= 0, nxpk= 0, iat= 388, 393, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 27 GLU HG2 28 CYX HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 380, 388, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 26 GLU HG3 27 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 366, 373, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 GLU HA 28 CYX HN 2.93
&rst
ixpk= 0, nxpk= 0, iat= 375, 388, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 28 CYX HB2 29 LYS HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 392, 398, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 28 CYX HA 29 LYS HN 2.93
&rst
ixpk= 0, nxpk= 0, iat= 390, 398, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 28 CYX HB3 29 LYS HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 393, 398, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 28 CYX HN 29 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 388, 398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 CYX HN 30 CYX HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 420, 425, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 30 CYX HN 30 CYX HB2 3.44
&rst
ixpk= 0, nxpk= 0, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 29 LYS HN 29 LYS HB3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 398, 403, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 29 LYS HA 30 CYX HN 2.89
&rst
ixpk= 0, nxpk= 0, iat= 400, 420, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 29 LYS QD 30 CYX HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 408, 409,
&end
#
# 31 VAL HN 31 VAL QG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 440, 441, 442,
&end
#
# 30 CYX HB2 31 VAL HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 424, 430, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 30 CYX HB3 31 VAL HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 425, 430, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 30 CYX HA 31 VAL HN 2.96
&rst
ixpk= 0, nxpk= 0, iat= 422, 430, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 30 CYX HN 31 VAL HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= 420, 430, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 31 VAL HB 32 PRO HD2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 434, 447, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 31 VAL HB 32 PRO HD3 3.49
&rst
ixpk= 0, nxpk= 0, iat= 434, 448, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 31 VAL QG2 32 PRO HD2 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 440, 441, 442,
&end
#
# 33 TYR HN 33 TYR HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 460, 464, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 33 TYR HA 33 TYR QD 3.73
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 468, 477,
&end
#
# 33 TYR HN 33 TYR HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat= 460, 465, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 20 LEU HN 20 LEU QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 283, 284, 285,
&end
#
# 20 LEU HN 20 LEU QD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 287, 288, 289,
&end
#
# 20 LEU HN 20 LEU HG 4.31
&rst
ixpk= 0, nxpk= 0, iat= 274, 281, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 19 LEU QB 19 LEU QD2 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 259, 260,
igr2= 268, 269, 270,
&end
#
# 19 LEU HA 20 LEU HN 3.07
&rst
ixpk= 0, nxpk= 0, iat= 257, 274, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 18 GLY HN 19 LEU HN 3.38
&rst
ixpk= 0, nxpk= 0, iat= 248, 255, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 11 GLU HN 11 GLU HG2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 153, 160, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 10 CYX HB2 11 GLU HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= 147, 153, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 10 CYX HN 10 CYX HB2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 143, 147, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 10 CYX HB3 11 GLU HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= 148, 153, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 8 ARG QB 9 ARG HN 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 99, 100,
&end
#
# 9 ARG HN 9 ARG HB2 3.22
&rst
ixpk= 0, nxpk= 0, iat= 119, 123, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 9 ARG HA 9 ARG HE 5.23
&rst
ixpk= 0, nxpk= 0, iat= 121, 132, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 9 ARG HB2 9 ARG HE 4.81
&rst
ixpk= 0, nxpk= 0, iat= 123, 132, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 6 ASN HN 9 ARG HB2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 62, 123, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 9 ARG HB2 10 CYX HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 123, 143, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 8 ARG QG 10 CYX HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 102, 103,
&end
#
# 8 ARG HA 8 ARG HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 97, 108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ARG HN 8 ARG QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 99, 100,
&end
#
# 7 LEU HB2 8 ARG HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 80, 95, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 8 ARG HN 8 ARG QG 4.17
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 102, 103,
&end
#
# 7 LEU HN 7 LEU HB2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 76, 80, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 7 LEU HN 7 LEU HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 76, 81, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 7 LEU HB3 8 ARG HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 81, 95, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 7 LEU HG 8 ARG HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 83, 95, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 6 ASN HB3 7 LEU HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 67, 76, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 6 ASN HA 7 LEU HN 3.08
&rst
ixpk= 0, nxpk= 0, iat= 64, 76, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 10 CYX HN 10 CYX HB3 3.17
&rst
ixpk= 0, nxpk= 0, iat= 143, 148, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 6 ASN HN 6 ASN HB2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 62, 66, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 5 CYX HN 5 CYX HB2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 52, 56, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 5 CYX HA 6 ASN HN 2.89
&rst
ixpk= 0, nxpk= 0, iat= 54, 62, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 5 CYX HN 6 ASN HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 52, 62, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 4 PHE HA 5 CYX HN 3.16
&rst
ixpk= 0, nxpk= 0, iat= 34, 52, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 4 PHE HB2 5 CYX HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 36, 52, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 4 PHE HB3 5 CYX HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 37, 52, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 18 GLY HN 19 LEU QD2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 268, 269, 270,
&end
#
# 20 LEU HG 21 GLY HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 281, 293, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 20 LEU QB 21 GLY HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 278, 279,
&end
#
# 20 LEU HA 21 GLY HN 2.96
&rst
ixpk= 0, nxpk= 0, iat= 276, 293, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 3 ALA QB 4 PHE HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 32, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 26, 27, 28,
&end
#
# 3 ALA HA 4 PHE HN 3.24
&rst
ixpk= 0, nxpk= 0, iat= 24, 32, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 2 SER HN 3 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 11, 22, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ILE HN 24 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 345, 346, 347,
&end
#
# 24 ILE QG2 24 ILE HG12 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 338, 339, 340,
&end
#
# 19 LEU HN 19 LEU QB 3.37
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 259, 260,
&end
#
# 17 LEU HG 19 LEU HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 236, 255, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 17 LEU QB 19 LEU HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 233, 234,
&end
#
# 22 LYS HN 22 LYS QE 5.22
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 313, 314,
&end
#
# 22 LYS HN 31 VAL QG1 5.03
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 436, 437, 438,
&end
#
# 22 LYS HN 31 VAL QG2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 440, 441, 442,
&end
#
# 11 GLU HN 13 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 153, 187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LEU HN 31 VAL HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= 274, 430, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 25 GLY HN 26 GLU HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= 351, 358, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 22 LYS HN 29 LYS HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 300, 398, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 24 ILE HN 29 LYS HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 332, 398, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 24 ILE HA 26 GLU HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 334, 358, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 9 ARG HB2 11 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 123, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 CYX HA 29 LYS HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 324, 398, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 24 ILE HN 28 CYX HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 332, 390, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 22 LYS HN 30 CYX HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= 300, 422, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 19 LEU QB 31 VAL HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 259, 260,
&end
#
# 22 LYS QD 29 LYS HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 310, 311,
&end
#
# 14 CYX QB 20 LEU HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 202, 203,
&end
#
# 13 SER HN 14 CYX QB 5.06
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 202, 203,
&end
#
# 10 CYX HB3 12 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 148, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 CYX HB3 23 CYX HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 148, 322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 CYX QB 21 GLY HN 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 202, 203,
&end
#
# 31 VAL HB 33 TYR HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 434, 460, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 11 GLU HB3 21 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 158, 293, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 LEU HN 30 CYX HB3 4.99
&rst
ixpk= 0, nxpk= 0, iat= 274, 425, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 20 LEU HN 30 CYX HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 ASN HB2 9 ARG HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 66, 119, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 13 SER HN 14 CYX HN 3.41
&rst
ixpk= 0, nxpk= 0, iat= 187, 198, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 12 LEU HN 14 CYX HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 168, 198, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 3 ALA HN 4 PHE HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 22, 32, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 30 CYX HN 31 VAL QG1 4.56
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 436, 437, 438,
&end
#
# 20 LEU QD2 33 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 287, 288, 289,
&end
#
# 31 VAL QG1 33 TYR HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 436, 437, 438,
&end
#
# 20 LEU QD1 33 TYR QD 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 283, 284, 285,
igr2= 468, 477,
&end
#
# 20 LEU QD2 33 TYR QD 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 287, 288, 289,
igr2= 468, 477,
&end
#
# 17 LEU HN 19 LEU HG 5.25
&rst
ixpk= 0, nxpk= 0, iat= 229, 262, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 20 LEU QB 33 TYR QD 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 278, 279,
igr2= 468, 477,
&end
#
# 14 CYX QB 19 LEU HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 202, 203,
&end
#
# 25 GLY HA3 27 GLU HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 354, 373, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 17 LEU HN 18 GLY HN 3.21
&rst
ixpk= 0, nxpk= 0, iat= 229, 248, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 20 LEU QD2 33 TYR QE 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 287, 288, 289,
igr2= 470, 477,
&end
#
# 20 LEU QD1 33 TYR QE 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 283, 284, 285,
igr2= 470, 477,
&end
#
# 6 ASN HB3 7 LEU HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= 67, 78, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 11 GLU HB3 12 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 158, 170, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 LEU QD2 30 CYX HB3 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 268, 269, 270,
&end
#
# 22 LYS QE 31 VAL QG2 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 313, 314,
igr2= 440, 441, 442,
&end
#
# 19 LEU QD2 30 CYX HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 268, 269, 270,
&end
#
# 17 LEU QB 19 LEU QD2 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 233, 234,
igr2= 268, 269, 270,
&end
#
# 17 LEU HG 19 LEU QD2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 268, 269, 270,
&end
#
# 6 ASN HB3 9 ARG HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 67, 123, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 6 ASN HB3 8 ARG QB 4.45
&rst
ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 99, 100,
&end
#
# 6 ASN HB3 9 ARG HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat= 67, 124, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 10 CYX HB3 11 GLU HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 148, 157, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 14 CYX QB 19 LEU QB 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 202, 203,
igr2= 259, 260,
&end
#
# 17 LEU QD1 19 LEU QD2 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 238, 239, 240,
igr2= 268, 269, 270,
&end
#
# 24 ILE QG2 24 ILE HG13 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 338, 339, 340,
&end
#
# 22 LYS QB 22 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 304, 305,
igr2= 313, 314,
&end
#
# 22 LYS QG 22 LYS QD 2.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr1= 307, 308,
igr2= 310, 311,
&end
#
# 24 ILE HA 25 GLY HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= 334, 351, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 7 LEU HA 10 CYX HB3 4.04
&rst
ixpk= 0, nxpk= 0, iat= 78, 148, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 10 CYX HN 14 CYX HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 143, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 ASN HN 9 ARG HG3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 62, 127, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 8 ARG HA 11 GLU HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 97, 153, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 9 ARG HA 12 LEU HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 121, 168, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 12 LEU HN 13 SER QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 191, 192,
&end
#
# 13 SER QB 14 CYX HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 191, 192,
&end
#
# 17 LEU HN 19 LEU QD2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 268, 269, 270,
&end
#
# 20 LEU QD1 33 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 283, 284, 285,
&end
#
# 7 LEU HN 8 ARG QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 99, 100,
&end
#
# 31 VAL HN 32 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 430, 447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 VAL HN 32 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 430, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 VAL HN 31 VAL QG1 3.29
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 436, 437, 438,
&end
#
# 30 CYX HA 31 VAL QG1 4.29
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 436, 437, 438,
&end
#
# 31 VAL HA 31 VAL QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 440, 441, 442,
&end
#
# 24 ILE HA 24 ILE HG12 4.15
&rst
ixpk= 0, nxpk= 0, iat= 334, 342, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 24 ILE HA 24 ILE HG13 4.15
&rst
ixpk= 0, nxpk= 0, iat= 334, 343, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 24 ILE HN 24 ILE HB 3.81
&rst
ixpk= 0, nxpk= 0, iat= 332, 336, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 24 ILE HA 24 ILE QD1 4.43
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 345, 346, 347,
&end
#
# 11 GLU HN 11 GLU HG3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 153, 161, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 11 GLU HA 11 GLU HG3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 155, 161, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 22 LYS HN 22 LYS QD 3.92
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 310, 311,
&end
#
# 22 LYS HN 22 LYS QG 4.42
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 307, 308,
&end
#
# 22 LYS QG 29 LYS HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 307, 308,
&end
#
# 29 LYS HN 29 LYS QG 4.76
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 405, 406,
&end
#
# 10 CYX HN 11 GLU HN 3.51
&rst
ixpk= 0, nxpk= 0, iat= 143, 153, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 26 GLU HA 26 GLU HG3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 360, 366, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 26 GLU HA 26 GLU HG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 360, 365, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 7 LEU HN 7 LEU HG 4.71
&rst
ixpk= 0, nxpk= 0, iat= 76, 83, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 7 LEU HA 7 LEU HG 3.77
&rst
ixpk= 0, nxpk= 0, iat= 78, 83, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 6 ASN HN 6 ASN HB3 3.65
&rst
ixpk= 0, nxpk= 0, iat= 62, 67, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 20 LEU HA 20 LEU HG 4.12
&rst
ixpk= 0, nxpk= 0, iat= 276, 281, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 20 LEU HN 20 LEU QB 3.52
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 278, 279,
&end
#
# 20 LEU QB 20 LEU HG 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1= 278, 279,
&end
#
# 15 ALA HN 15 ALA QB 3.38
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 212, 213, 214,
&end
#
# 10 CYX HA 14 CYX HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 145, 198, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 23 CYX HN 23 CYX HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 322, 326, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 12 LEU HN 12 LEU HB2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 168, 172, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 12 LEU HA 12 LEU HG 3.77
&rst
ixpk= 0, nxpk= 0, iat= 170, 175, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 10 CYX HB3 22 LYS HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= 148, 302, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 5 CYX HN 5 CYX HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat= 52, 57, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 9 ARG HN 9 ARG HG2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 119, 126, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 9 ARG HN 9 ARG HG3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 119, 127, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 8 ARG QB 8 ARG HE 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 99, 100,
&end
#
# 9 ARG HB3 9 ARG HE 4.92
&rst
ixpk= 0, nxpk= 0, iat= 124, 132, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 9 ARG HG2 9 ARG HE 4.07
&rst
ixpk= 0, nxpk= 0, iat= 126, 132, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 9 ARG HA 9 ARG HG3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 121, 127, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 9 ARG HB3 9 ARG HG3 2.70
&rst
ixpk= 0, nxpk= 0, iat= 124, 127, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 9 ARG HB2 9 ARG HG2 2.68
&rst
ixpk= 0, nxpk= 0, iat= 123, 126, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 9 ARG HB2 9 ARG HG3 2.40
&rst
ixpk= 0, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 9 ARG HN 10 CYX HN 3.38
&rst
ixpk= 0, nxpk= 0, iat= 119, 143, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 6 ASN HB3 9 ARG HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 67, 119, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 8 ARG QB 10 CYX HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 143, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 99, 100,
&end
#
# 9 ARG HB3 10 CYX HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= 124, 143, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 6 ASN HN 6 ASN HD21 5.46
&rst
ixpk= 0, nxpk= 0, iat= 62, 71, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 6 ASN HB2 7 LEU HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 66, 76, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 15 ALA QB 16 SER HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 212, 213, 214,
&end
#
# 15 ALA HN 16 SER HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 208, 218, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 19 LEU HA 19 LEU HG 3.85
&rst
ixpk= 0, nxpk= 0, iat= 257, 262, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 19 LEU HA 19 LEU QD2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 268, 269, 270,
&end
#
# 19 LEU QB 19 LEU HG 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1= 259, 260,
&end
#
# 29 LYS QG 29 LYS QD 2.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 405, 406,
igr2= 408, 409,
&end
#
# 15 ALA QB 19 LEU HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 212, 213, 214,
&end
#
# 15 ALA QB 18 GLY HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 212, 213, 214,
&end
#
# 16 SER HN 18 GLY HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 218, 248, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 16 SER HN 19 LEU HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= 218, 255, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 16 SER HN 17 LEU HG 4.76
&rst
ixpk= 0, nxpk= 0, iat= 218, 236, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 8 ARG HA 12 LEU HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 97, 168, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 19 LEU HG 20 LEU HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= 262, 274, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 19 LEU HG 31 VAL HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 262, 430, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 19 LEU HN 20 LEU HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 255, 274, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 14 CYX QB 19 LEU HG 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 202, 203,
&end
#
# 14 CYX QB 31 VAL HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 202, 203,
&end
#
# 16 SER HN 17 LEU HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= 218, 229, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 6 ASN HD22 8 ARG QB 5.19
&rst
ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 99, 100,
&end
#
# 6 ASN HD22 9 ARG HG3 4.95
&rst
ixpk= 0, nxpk= 0, iat= 72, 127, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 31 VAL QG2 32 PRO HD3 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 440, 441, 442,
&end
#
# 31 VAL QG1 32 PRO HD3 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 436, 437, 438,
&end
#
# 31 VAL QG1 32 PRO HD2 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 436, 437, 438,
&end
#
# 18 GLY HN 19 LEU HG 4.19
&rst
ixpk= 0, nxpk= 0, iat= 248, 262, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 19 LEU QB 20 LEU HN 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 259, 260,
&end
#
# 15 ALA HN 19 LEU HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 208, 255, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 14 CYX HN 17 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 238, 239, 240,
&end
#
# 15 ALA HN 17 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 238, 239, 240,
&end
#
# 32 PRO QG 33 TYR HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 450, 451,
&end
#
# 15 ALA HN 17 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 208, 229, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 CYX HN 26 GLU HA 4.38
&rst
ixpk= 0, nxpk= 0, iat= 52, 360, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 5 CYX HB2 26 GLU HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= 56, 360, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 5 CYX HB2 26 GLU HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 56, 358, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 5 CYX HB3 26 GLU HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 57, 358, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 5 CYX HB3 26 GLU HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= 57, 360, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 14 CYX HN 21 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 198, 293, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ALA HN 18 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 208, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ALA HN 21 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 208, 293, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 LEU HA 11 GLU HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 78, 153, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 7 LEU HA 10 CYX HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 78, 143, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 20 LEU HN 33 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 468, 477,
&end
#
# 27 GLU HN 28 CYX HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 373, 388, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 26 GLU HN 27 GLU HN 3.44
&rst
ixpk= 0, nxpk= 0, iat= 358, 373, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 24 ILE HN 27 GLU HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= 332, 373, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 7 LEU HN 8 ARG HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= 76, 95, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 11 GLU HN 12 LEU HN 3.57
&rst
ixpk= 0, nxpk= 0, iat= 153, 168, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 8 ARG HN 10 CYX HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 95, 143, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 10 CYX HN 12 LEU HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= 143, 168, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 11 GLU HA 21 GLY HN 3.58
&rst
ixpk= 0, nxpk= 0, iat= 155, 293, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 9 ARG HA 11 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 121, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 GLU HN 13 SER QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 191, 192,
&end
#
# 30 CYX HB3 31 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 440, 441, 442,
&end
#
# 22 LYS QE 31 VAL QG1 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 313, 314,
igr2= 436, 437, 438,
&end
#
# 14 CYX QB 19 LEU QD2 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 202, 203,
igr2= 268, 269, 270,
&end
#
# 19 LEU HG 30 CYX HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 262, 424, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 19 LEU QB 30 CYX HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 259, 260,
&end
#
# 29 LYS QG 30 CYX HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 405, 406,
&end
#
# 14 CYX QB 30 CYX HB3 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 202, 203,
&end
#
# 19 LEU HG 30 CYX HB3 3.21
&rst
ixpk= 0, nxpk= 0, iat= 262, 425, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 19 LEU QB 30 CYX HB3 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 259, 260,
&end
#
# 6 ASN HB2 9 ARG HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 66, 124, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 6 ASN HB2 9 ARG HB2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 66, 123, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 14 CYX QB 30 CYX HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 202, 203,
&end
#
# 7 LEU HA 10 CYX HB2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 78, 147, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 8 ARG HA 11 GLU HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 97, 157, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 8 ARG HA 11 GLU HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 97, 158, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 ASN HD21 9 ARG HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 71, 119, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 12 LEU HN 21 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 168, 293, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ILE HN 26 GLU HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 332, 358, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 12 LEU HN 13 SER HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= 168, 187, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 29 LYS HB2 30 CYX HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 402, 420, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 29 LYS HB3 30 CYX HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 403, 420, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 31 VAL HA 32 PRO HD3 3.39
&rst
ixpk= 0, nxpk= 0, iat= 432, 448, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 31 VAL HA 32 PRO HD2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 432, 447, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 8 ARG HN 9 ARG HN 3.41
&rst
ixpk= 0, nxpk= 0, iat= 95, 119, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 22 LYS HN 28 CYX HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= 300, 390, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 6 ASN HD22 8 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 72, 95, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LYS HN 23 CYX HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 300, 322, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 21 GLY HN 22 LYS HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 293, 300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG HN 11 GLU HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 119, 153, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 7 LEU HN 9 ARG HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= 76, 119, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 6 ASN HD21 7 LEU HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 71, 76, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 33 TYR HN 33 TYR QD 4.57
&rst
ixpk= 0, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 468, 477,
&end
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