NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
560626 |
2m13   |
18840 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 25 PHE H 24 PHE HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 350, 332, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
rk2= 30.0, rk3= 30.0, ir6= 1, ialtd= 0,
&end
#
# 26 CYSZ H 25 PHE HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 370, 352, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 27 ARG H 26 CYSZ HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 380, 372, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 33 LYS H 32 PHE HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 479, 461, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 34 TYR H 33 LYS HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 501, 481, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 35 PHE H 34 TYR HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 522, 503, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 36 CYSS H 35 PHE HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 542, 524, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 37 ARG H 36 CYSS HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 552, 544, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 24 PHE H 36 CYSS HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 330, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 LYS H 25 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 479, 352, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 PHE H 35 PHE H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 330, 522, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 26 CYSZ H 33 LYS H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 370, 479, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 1 GLY QA 2 PRO QD 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 6, 7,
igr2= 12, 13,
&end
#
# 3 VAL H 2 PRO HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 25, 21, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 4 GLN H 3 VAL HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 41, 27, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 6 ASP HA 7 PRO HD- 2.70
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 90, 91,
&end
#
# 6 ASP HA 7 PRO HD+ 2.70
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 90, 91,
&end
#
# 8 TYR H 8 TYR QD 3.70
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 111, 120,
&end
#
# 8 TYR H 9 LEU H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 103, 124, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 9 LEU H 8 TYR HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 124, 105, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 9 LEU HB- 34 TYR QE 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 128, 129,
igr2= 511, 516,
&end
#
# 9 LEU HB+ 34 TYR QE 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 128, 129,
igr2= 511, 516,
&end
#
# 9 LEU QQD 34 TYR QE 6.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 133, 134, 135, 137, 138, 139,
igr2= 511, 516,
&end
#
# 9 LEU QQD 34 TYR QE 6.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 133, 134, 135, 137, 138, 139,
igr2= 511, 516,
&end
#
# 12 SER H 11 ASP HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 170, 160, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 12 SER H 34 TYR QD 5.61
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 509, 518,
&end
#
# 12 SER H 34 TYR QE 5.61
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 511, 516,
&end
#
# 12 SER HA 34 TYR QE 5.61
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 511, 516,
&end
#
# 12 SER QB 34 TYR QD 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 174, 175,
igr2= 509, 518,
&end
#
# 12 SER QB 34 TYR QE 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 174, 175,
igr2= 511, 516,
&end
#
# 13 LEU H 12 SER HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 181, 172, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 13 LEU QQD 18 SER HB- 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 190, 191, 192, 194, 195, 196,
igr2= 260, 261,
&end
#
# 13 LEU QQD 20 GLN HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 190, 191, 192, 194, 195, 196,
&end
#
# 14 CYSZ H 13 LEU HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 200, 183, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 14 CYSZ H 13 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 190, 191, 192, 194, 195, 196,
&end
#
# 14 CYSZ H 13 LEU QQD 3.96
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 190, 191, 192, 194, 195, 196,
&end
#
# 14 CYSZ H 14 CYSZ HB2 2.70
&rst
ixpk= 0, nxpk= 0, iat= 200, 204, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 14 CYSZ H 14 CYSZ HB3 2.70
&rst
ixpk= 0, nxpk= 0, iat= 200, 205, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 14 CYSZ H 20 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 200, 278, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 CYSZ H 22 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 200, 309, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 HIST H 14 CYSZ HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 210, 202, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 15 HIST H 14 CYSZ HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 210, 205, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 HIST H 16 ILE H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 210, 227, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 16 ILE H 17 CYSS H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 227, 246, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 16 ILE QG1 35 PHE QD 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 237, 238,
igr2= 530, 538,
&end
#
# 16 ILE QG1 35 PHE QE 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 237, 238,
igr2= 532, 536,
&end
#
# 16 ILE QG1 39 CYSS HB- 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 237, 238,
igr2= 591, 592,
&end
#
# 16 ILE QG2 17 CYSS HB3 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 233, 234, 235,
&end
#
# 17 CYSS H 14 CYSZ HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 246, 204, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 CYSS H 16 ILE HB 3.30
&rst
ixpk= 0, nxpk= 0, iat= 246, 231, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 17 CYSS H 17 CYSS HB3 2.70
&rst
ixpk= 0, nxpk= 0, iat= 246, 251, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 17 CYSS H 18 SER H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 246, 256, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 17 CYSS H 18 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 246, 258, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 SER H 14 CYSZ HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 256, 204, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 SER H 14 CYSZ HB3 3.30
&rst
ixpk= 0, nxpk= 0, iat= 256, 205, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 18 SER H 17 CYSS HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 256, 250, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 SER H 18 SER HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 256, 258, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 18 SER H 19 SER H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 256, 267, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 19 SER H 13 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 190, 191, 192, 194, 195, 196,
&end
#
# 19 SER H 13 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 190, 191, 192, 194, 195, 196,
&end
#
# 19 SER H 17 CYSS HB2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 267, 250, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 19 SER H 18 SER HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 267, 258, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 19 SER H 20 GLN H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 267, 278, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 20 GLN H 13 LEU QQD 3.96
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 190, 191, 192, 194, 195, 196,
&end
#
# 20 GLN H 13 LEU QQD 3.24
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 190, 191, 192, 194, 195, 196,
&end
#
# 20 GLN H 14 CYSZ HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 278, 204, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 GLN H 14 CYSZ HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 278, 205, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 GLN H 18 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 278, 258, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 GLN HA 21 PRO HD- 3.30
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 296, 297,
&end
#
# 20 GLN HA 21 PRO HD+ 3.30
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 296, 297,
&end
#
# 21 PRO HB- 34 TYR QE 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 302, 303,
igr2= 511, 516,
&end
#
# 21 PRO HB+ 34 TYR QE 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 302, 303,
igr2= 511, 516,
&end
#
# 22 GLY H 21 PRO HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 309, 305, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 22 GLY HA- 23 PRO HD- 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 311, 312,
igr2= 317, 318,
&end
#
# 22 GLY HA- 23 PRO HD+ 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 311, 312,
igr2= 317, 318,
&end
#
# 22 GLY HA- 36 CYSS HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 311, 312,
&end
#
# 22 GLY HA+ 23 PRO HD- 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 311, 312,
igr2= 317, 318,
&end
#
# 22 GLY HA+ 23 PRO HD+ 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 311, 312,
igr2= 317, 318,
&end
#
# 22 GLY HA+ 36 CYSS HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 311, 312,
&end
#
# 23 PRO HB- 24 PHE QE 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 323, 324,
igr2= 340, 344,
&end
#
# 23 PRO HB+ 24 PHE QD 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 323, 324,
igr2= 338, 346,
&end
#
# 23 PRO HB+ 24 PHE QE 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 323, 324,
igr2= 340, 344,
&end
#
# 23 PRO HD- 36 CYSS HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 317, 318,
&end
#
# 23 PRO HD+ 36 CYSS HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 317, 318,
&end
#
# 24 PHE H 22 GLY HA+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 311, 312,
&end
#
# 24 PHE H 23 PRO HB- 5.00
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 323, 324,
&end
#
# 24 PHE H 23 PRO HB+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 323, 324,
&end
#
# 24 PHE H 23 PRO HG- 5.00
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 320, 321,
&end
#
# 24 PHE H 23 PRO HD- 3.30
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 317, 318,
&end
#
# 24 PHE H 24 PHE QD 3.70
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 338, 346,
&end
#
# 24 PHE H 24 PHE QE 5.61
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 340, 344,
&end
#
# 24 PHE QD 37 ARG HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 338, 346,
&end
#
# 24 PHE QD 37 ARG QB 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 338, 346,
igr2= 556, 557,
&end
#
# 24 PHE QD 37 ARG QG 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 338, 346,
igr2= 559, 560,
&end
#
# 24 PHE QD 54 PRO HB- 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 338, 346,
igr2= 848, 849,
&end
#
# 24 PHE QD 54 PRO HB+ 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 338, 346,
igr2= 848, 849,
&end
#
# 24 PHE QE 36 CYSS HA 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 340, 344,
&end
#
# 24 PHE QE 37 ARG HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 340, 344,
&end
#
# 24 PHE QE 37 ARG QB 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 340, 344,
igr2= 556, 557,
&end
#
# 24 PHE QE 37 ARG QG 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 340, 344,
igr2= 559, 560,
&end
#
# 24 PHE QE 37 ARG QD 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 340, 344,
igr2= 562, 563,
&end
#
# 24 PHE QE 54 PRO HB- 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 340, 344,
igr2= 848, 849,
&end
#
# 25 PHE H 24 PHE HB- 5.00
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 334, 335,
&end
#
# 25 PHE H 24 PHE HB+ 3.30
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 334, 335,
&end
#
# 25 PHE H 55 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 350, 855, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 PHE H 55 LEU QB 5.61
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 859, 860,
&end
#
# 25 PHE HA 25 PHE QD 5.61
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 358, 366,
&end
#
# 25 PHE HA 34 TYR QE 5.61
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 511, 516,
&end
#
# 25 PHE QB 25 PHE QD 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 354, 355,
igr2= 358, 366,
&end
#
# 25 PHE QB 34 TYR QD 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 354, 355,
igr2= 509, 518,
&end
#
# 25 PHE QB 34 TYR QE 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 354, 355,
igr2= 511, 516,
&end
#
# 25 PHE QD 27 ARG HA 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 358, 366,
&end
#
# 25 PHE QD 34 TYR QD 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 358, 366,
igr2= 509, 518,
&end
#
# 25 PHE QD 34 TYR QE 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 358, 366,
igr2= 511, 516,
&end
#
# 25 PHE QD 55 LEU QB 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 358, 366,
igr2= 859, 860,
&end
#
# 25 PHE QD 55 LEU QQD 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 358, 366,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 25 PHE QD 55 LEU QQD 6.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 358, 366,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 25 PHE QE 27 ARG HA 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 360, 364,
&end
#
# 25 PHE QE 27 ARG HG- 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 360, 364,
igr2= 387, 388,
&end
#
# 25 PHE HZ 32 PHE QD 5.61
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 467, 475,
&end
#
# 26 CYSZ H 25 PHE QD 5.61
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 358, 366,
&end
#
# 26 CYSZ HA 40 TRP HZ2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 372, 610, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 CYSZ HA 40 TRP HH2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 372, 612, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 26 CYSZ HA 40 TRP HZ3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 372, 614, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 CYSZ HB- 35 PHE QE 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 374, 375,
igr2= 532, 536,
&end
#
# 26 CYSZ HB- 40 TRP HH2 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 374, 375,
&end
#
# 26 CYSZ HB- 40 TRP HZ2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 374, 375,
&end
#
# 26 CYSZ HB+ 35 PHE QE 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 374, 375,
igr2= 532, 536,
&end
#
# 26 CYSZ HB+ 40 TRP HH2 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 374, 375,
&end
#
# 26 CYSZ HB+ 40 TRP HZ3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 374, 375,
&end
#
# 27 ARG H 27 ARG HG- 3.30
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 387, 388,
&end
#
# 27 ARG H 27 ARG HG+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 387, 388,
&end
#
# 27 ARG H 27 ARG QD 3.70
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 390, 391,
&end
#
# 27 ARG H 40 TRP HH2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 ARG HA 32 PHE QD 3.03
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 467, 475,
&end
#
# 28 ASP H 27 ARG HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 382, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 ASP H 28 ASP HB- 2.70
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 408, 409,
&end
#
# 28 ASP H 28 ASP HB+ 2.70
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 408, 409,
&end
#
# 28 ASP H 29 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 ASP H 31 CYSS HB- 5.00
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 453, 454,
&end
#
# 28 ASP H 31 CYSS HB+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 453, 454,
&end
#
# 28 ASP HB- 52 HIST HE1 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 408, 409,
&end
#
# 28 ASP HB+ 52 HIST HE1 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 408, 409,
&end
#
# 29 GLN H 28 ASP HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 416, 406, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 29 GLN H 29 GLN QB 3.03
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 420, 421,
&end
#
# 29 GLN QB 30 VAL QG2 6.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 420, 421,
igr2= 443, 444, 445,
&end
#
# 29 GLN QG 30 VAL QG2 6.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 423, 424,
igr2= 443, 444, 445,
&end
#
# 30 VAL H 28 ASP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 433, 406, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 VAL H 28 ASP HB- 3.30
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 408, 409,
&end
#
# 30 VAL H 28 ASP HB+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 408, 409,
&end
#
# 30 VAL H 29 GLN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 433, 418, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 VAL H 31 CYSS H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 433, 449, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 30 VAL H 52 HIST HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 433, 822, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 VAL HA 30 VAL QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 439, 440, 441,
&end
#
# 30 VAL HA 30 VAL QG2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 443, 444, 445,
&end
#
# 30 VAL HB 52 HIST HE1 3.30
&rst
ixpk= 0, nxpk= 0, iat= 437, 822, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 30 VAL QG1 52 HIST HE1 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 439, 440, 441,
&end
#
# 30 VAL QG1 49 LEU QQD 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 439, 440, 441,
igr2= 762, 763, 764, 766, 767, 768,
&end
#
# 30 VAL QG1 49 LEU QQD 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 439, 440, 441,
igr2= 762, 763, 764, 766, 767, 768,
&end
#
# 30 VAL QG1 51 HIST HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 439, 440, 441,
&end
#
# 30 VAL QG2 52 HIST HE1 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 443, 444, 445,
&end
#
# 30 VAL QG2 49 LEU QQD 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 443, 444, 445,
igr2= 762, 763, 764, 766, 767, 768,
&end
#
# 30 VAL QG2 49 LEU QQD 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 443, 444, 445,
igr2= 762, 763, 764, 766, 767, 768,
&end
#
# 31 CYSS H 28 ASP HB- 3.30
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 408, 409,
&end
#
# 31 CYSS H 28 ASP HB+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 408, 409,
&end
#
# 31 CYSS H 30 VAL HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 437, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 CYSS H 30 VAL QG1 3.96
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 439, 440, 441,
&end
#
# 31 CYSS H 30 VAL QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 443, 444, 445,
&end
#
# 31 CYSS H 32 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 461, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 CYSS HB- 35 PHE QE 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 453, 454,
igr2= 532, 536,
&end
#
# 31 CYSS HB+ 35 PHE QE 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 453, 454,
igr2= 532, 536,
&end
#
# 32 PHE H 26 CYSZ HB- 3.30
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 374, 375,
&end
#
# 32 PHE H 26 CYSZ HB+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 374, 375,
&end
#
# 32 PHE H 27 ARG HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 459, 382, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 PHE H 31 CYSS HB- 2.70
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 453, 454,
&end
#
# 32 PHE H 31 CYSS HB+ 2.70
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 453, 454,
&end
#
# 32 PHE H 32 PHE HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 459, 461, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 32 PHE H 33 LYS H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 459, 479, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 33 LYS H 31 CYSS HB- 5.00
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 453, 454,
&end
#
# 33 LYS H 31 CYSS HB+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 453, 454,
&end
#
# 33 LYS H 34 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 479, 501, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 LYS HA 34 TYR QD 5.61
&rst
ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 509, 518,
&end
#
# 33 LYS HA 34 TYR QE 5.61
&rst
ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 511, 516,
&end
#
# 34 TYR HA 35 PHE QD 5.61
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 530, 538,
&end
#
# 35 PHE HB- 40 TRP HE3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 526, 527,
&end
#
# 35 PHE HB+ 40 TRP HE3 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 526, 527,
&end
#
# 35 PHE QD 39 CYSS HB- 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 530, 538,
igr2= 591, 592,
&end
#
# 35 PHE QD 39 CYSS HB+ 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 530, 538,
igr2= 591, 592,
&end
#
# 36 CYSS H 22 GLY HA+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 311, 312,
&end
#
# 36 CYSS H 39 CYSS HB- 2.70
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 591, 592,
&end
#
# 37 ARG H 24 PHE QD 5.61
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 338, 346,
&end
#
# 37 ARG H 24 PHE QE 3.70
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 340, 344,
&end
#
# 37 ARG H 36 CYSS HB3 2.70
&rst
ixpk= 0, nxpk= 0, iat= 552, 547, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 37 ARG H 36 CYSS HB- 3.30
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 546, 547,
&end
#
# 37 ARG H 38 SER H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 552, 576, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 37 ARG H 39 CYSS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 552, 587, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 ARG HA 40 TRP HD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 554, 605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 SER H 39 CYSS H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 576, 587, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 38 SER HA 41 HIST QB 3.70
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 625, 626,
&end
#
# 39 CYSS H 40 TRP H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 587, 597, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 39 CYSS H 41 HIST H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 587, 621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 CYSS HA 42 TRP QB 3.70
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 642, 643,
&end
#
# 40 TRP H 35 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 597, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 TRP H 35 PHE HB- 3.30
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 526, 527,
&end
#
# 40 TRP H 35 PHE HB+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 526, 527,
&end
#
# 40 TRP H 35 PHE QD 5.61
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 530, 538,
&end
#
# 40 TRP H 41 HIST H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 597, 621, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 40 TRP HA 40 TRP HE3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 599, 616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 TRP HA 43 ARG HB- 5.00
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 666, 667,
&end
#
# 40 TRP HA 43 ARG HB+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 666, 667,
&end
#
# 40 TRP HA 44 HIS HD1 3.30
&rst
ixpk= 0, nxpk= 0, iat= 599, 694, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 40 TRP HD1 41 HIST HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 605, 623, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 40 TRP HD1 44 HIS HB+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 690, 691,
&end
#
# 40 TRP HE1 44 HIS HB- 5.00
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 690, 691,
&end
#
# 40 TRP HE1 44 HIS HB+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 690, 691,
&end
#
# 40 TRP HE1 44 HIS HD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 607, 694, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 TRP HZ2 44 HIS HB- 5.00
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 690, 691,
&end
#
# 40 TRP HZ2 44 HIS HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 699, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 TRP HZ2 52 HIST HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 815, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 TRP HZ2 52 HIST HB- 5.00
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 817, 818,
&end
#
# 40 TRP HZ2 52 HIST HB+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 817, 818,
&end
#
# 40 TRP HZ2 53 SER HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 610, 832, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 40 TRP HZ2 54 PRO HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 851, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 TRP HH2 53 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 612, 832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 TRP HH2 54 PRO HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 612, 851, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 40 TRP HH2 54 PRO HB- 5.00
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 848, 849,
&end
#
# 40 TRP HH2 54 PRO HB+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 848, 849,
&end
#
# 40 TRP HZ3 54 PRO HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 614, 851, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 HIST H 37 ARG HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 621, 554, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 HIST H 38 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 621, 578, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 HIST H 40 TRP HD1 3.30
&rst
ixpk= 0, nxpk= 0, iat= 621, 605, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 41 HIST H 42 TRP H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 621, 638, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 42 TRP H 39 CYSS HA 3.40
&rst
ixpk= 0, nxpk= 0, iat= 638, 589, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 42 TRP QB 42 TRP HE3 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 642, 643,
&end
#
# 42 TRP HE3 43 ARG HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 657, 664, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 42 TRP HE3 43 ARG HB- 3.30
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 666, 667,
&end
#
# 42 TRP HE3 43 ARG HB+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 666, 667,
&end
#
# 43 ARG H 39 CYSS HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 662, 589, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 ARG H 40 TRP HA 3.40
&rst
ixpk= 0, nxpk= 0, iat= 662, 599, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 43 ARG H 42 TRP HE3 3.30
&rst
ixpk= 0, nxpk= 0, iat= 662, 657, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 43 ARG H 44 HIS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 662, 686, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 ARG HA 49 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 762, 763, 764, 766, 767, 768,
&end
#
# 43 ARG HB- 44 HIS HD1 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 666, 667,
&end
#
# 43 ARG HB+ 44 HIS HD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 666, 667,
&end
#
# 43 ARG HD- 49 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 672, 673,
igr2= 762, 763, 764, 766, 767, 768,
&end
#
# 43 ARG HD+ 49 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 672, 673,
igr2= 762, 763, 764, 766, 767, 768,
&end
#
# 43 ARG HG+ 49 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 669, 670,
igr2= 762, 763, 764, 766, 767, 768,
&end
#
# 44 HIS H 40 TRP HD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 686, 605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 HIS H 41 HIST HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 686, 623, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 HIS H 43 ARG HB- 3.30
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 666, 667,
&end
#
# 44 HIS H 43 ARG HB+ 3.30
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 666, 667,
&end
#
# 44 HIS H 44 HIS HD1 2.70
&rst
ixpk= 0, nxpk= 0, iat= 686, 694, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 44 HIS H 45 SER H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 686, 703, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 44 HIS HA 44 HIS HD2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 688, 699, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 44 HIS HA 49 LEU HB- 3.30
&rst
ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 757, 758,
&end
#
# 44 HIS HA 49 LEU HB+ 3.30
&rst
ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 757, 758,
&end
#
# 44 HIS HA 49 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 688, 760, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 HIS HA 49 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 762, 763, 764, 766, 767, 768,
&end
#
# 44 HIS HA 49 LEU QQD 3.96
&rst
ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 762, 763, 764, 766, 767, 768,
&end
#
# 44 HIS HD2 49 LEU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 699, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 HIS HD2 49 LEU HB- 3.30
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 757, 758,
&end
#
# 44 HIS HD2 49 LEU HB+ 3.30
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 757, 758,
&end
#
# 44 HIS HD2 49 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 762, 763, 764, 766, 767, 768,
&end
#
# 44 HIS HD2 49 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 762, 763, 764, 766, 767, 768,
&end
#
# 44 HIS HD2 52 HIST HB- 3.30
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 817, 818,
&end
#
# 44 HIS HD2 52 HIST HB+ 3.30
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 817, 818,
&end
#
# 44 HIS HD2 52 HIST HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 699, 822, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 SER H 42 TRP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 703, 640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 SER H 44 HIS HB- 5.00
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 690, 691,
&end
#
# 45 SER H 46 MET H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 703, 714, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 46 MET H 45 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 714, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 46 MET H 45 SER QB 3.03
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 707, 708,
&end
#
# 46 MET H 49 LEU HB- 5.00
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 757, 758,
&end
#
# 46 MET H 49 LEU QQD 6.74
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 762, 763, 764, 766, 767, 768,
&end
#
# 46 MET QB 49 LEU QQD 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 718, 719,
igr2= 762, 763, 764, 766, 767, 768,
&end
#
# 46 MET HG- 49 LEU QQD 6.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 721, 722,
igr2= 762, 763, 764, 766, 767, 768,
&end
#
# 46 MET HG+ 49 LEU QQD 6.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 721, 722,
igr2= 762, 763, 764, 766, 767, 768,
&end
#
# 46 MET QE 49 LEU QQD 8.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 725, 726, 727,
igr2= 762, 763, 764, 766, 767, 768,
&end
#
# 47 GLU H 46 MET HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 731, 716, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 48 GLY H 47 GLU HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 746, 733, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 48 GLY H 47 GLU QG 5.61
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 738, 739,
&end
#
# 48 GLY H 49 LEU H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 746, 753, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 49 LEU H 46 MET QB 5.61
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 718, 719,
&end
#
# 49 LEU H 47 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 753, 733, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 LEU H 48 GLY HA- 5.00
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 748, 749,
&end
#
# 49 LEU H 48 GLY HA+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 748, 749,
&end
#
# 49 LEU H 50 ARG H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 753, 772, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 49 LEU H 50 ARG HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 753, 774, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 LEU HA 51 HIST HE1 2.70
&rst
ixpk= 0, nxpk= 0, iat= 755, 805, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 49 LEU HB- 51 HIST HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 757, 758,
&end
#
# 49 LEU HB- 52 HIST HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 757, 758,
&end
#
# 49 LEU HB+ 51 HIST HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 757, 758,
&end
#
# 49 LEU HB+ 52 HIST HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 757, 758,
&end
#
# 49 LEU HG 52 HIST HE1 3.30
&rst
ixpk= 0, nxpk= 0, iat= 760, 822, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 49 LEU QQD 51 HIST HE1 6.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 762, 763, 764, 766, 767, 768,
&end
#
# 49 LEU QQD 52 HIST HE1 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 762, 763, 764, 766, 767, 768,
&end
#
# 49 LEU QQD 52 HIST HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 762, 763, 764, 766, 767, 768,
&end
#
# 50 ARG H 49 LEU HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 772, 755, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 50 ARG H 50 ARG HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 772, 774, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 50 ARG H 50 ARG HB- 3.30
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 776, 777,
&end
#
# 50 ARG H 50 ARG HB+ 3.30
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 776, 777,
&end
#
# 50 ARG H 50 ARG QG 3.70
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 779, 780,
&end
#
# 50 ARG H 50 ARG QD 5.61
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 782, 783,
&end
#
# 50 ARG H 51 HIST HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 772, 805, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 50 ARG H 52 HIST H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 772, 813, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 51 HIST H 51 HIST HB- 3.30
&rst
ixpk= 0, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 800, 801,
&end
#
# 51 HIST H 52 HIST H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 796, 813, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 51 HIST HD2 52 HIST HD2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 809, 826, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 51 HIST HE1 52 HIST HD2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 805, 826, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 52 HIST H 44 HIS HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 813, 699, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 HIST H 49 LEU HB+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 757, 758,
&end
#
# 52 HIST H 51 HIST HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 813, 798, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 52 HIST H 52 HIST HD2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 813, 826, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 52 HIST HA 52 HIST HD2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 815, 826, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 53 SER H 52 HIST HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 830, 815, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 53 SER HA 54 PRO HD- 3.30
&rst
ixpk= 0, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 842, 843,
&end
#
# 53 SER HA 54 PRO HD+ 3.30
&rst
ixpk= 0, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 842, 843,
&end
#
# 55 LEU H 54 PRO HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 855, 851, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 55 LEU H 55 LEU HG 2.70
&rst
ixpk= 0, nxpk= 0, iat= 855, 862, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 55 LEU H 55 LEU QQD 3.96
&rst
ixpk= 0, nxpk= 0, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 56 MET H 55 LEU HA 2.70
&rst
ixpk= 0, nxpk= 0, iat= 874, 857, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 56 MET H 55 LEU QQD 3.96
&rst
ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 57 ARG H 56 MET HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 891, 876, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
Contact the webmaster for help, if required. Tuesday, April 30, 2024 5:24:05 PM GMT (wattos1)