NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492451 |
2kbu   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 5 GLY H 4 PRO HA 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 73, 69, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
rk2= 20.0, rk3= 20.0, ir6= 1, ialtd= 0,
&end
#
# 5 GLY H 4 PRO HB- 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 66, 67,
&end
#
# 5 GLY H 4 PRO HB+ 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 66, 67,
&end
#
# 5 GLY H 5 GLY HA- 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 75, 76,
&end
#
# 5 GLY H 5 GLY HA+ 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 75, 76,
&end
#
# 6 TRP H 5 GLY HA- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 75, 76,
&end
#
# 19 HIS H 5 GLY HA+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 75, 76,
&end
#
# 7 GLU H 6 TRP HA 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 104, 82, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 6 TRP HE3 6 TRP HB- 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 84, 85,
&end
#
# 6 TRP H 6 TRP HA 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 80, 82, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 GLU H 6 TRP HB- 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 84, 85,
&end
#
# 19 HIS H 6 TRP HA 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 332, 82, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 GLU H 7 GLU HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 104, 106, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 GLU H 7 GLU HB- 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 108, 109,
&end
#
# 8 LYS H 7 GLU HA 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 119, 106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 LYS H 7 GLU QG 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 111, 112,
&end
#
# 8 LYS H 7 GLU HB- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 108, 109,
&end
#
# 8 LYS H 7 GLU HB+ 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 108, 109,
&end
#
# 9 ARG H 9 ARG HA 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 141, 143, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ARG H 9 ARG HB- 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 145, 146,
&end
#
# 9 ARG H 9 ARG QG 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 148, 149,
&end
#
# 9 ARG H 9 ARG HB+ 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 145, 146,
&end
#
# 10 MET H 9 ARG HA 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 165, 143, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 10 MET H 9 ARG HB- 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 145, 146,
&end
#
# 10 MET H 9 ARG QG 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 148, 149,
&end
#
# 10 MET H 9 ARG HB- 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 145, 146,
&end
#
# 15 TYR QD 9 ARG HB- 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 264, 273,
igr2= 145, 146,
&end
#
# 15 TYR QD 9 ARG HB+ 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 264, 273,
igr2= 145, 146,
&end
#
# 17 PHE QE 9 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= 308, 312,
igr2= 148, 149,
&end
#
# 10 MET H 10 MET HA 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 165, 167, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 MET H 10 MET HG- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 172, 173,
&end
#
# 10 MET H 10 MET HG+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 172, 173,
&end
#
# 10 MET H 10 MET HB- 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 169, 170,
&end
#
# 11 SER H 10 MET HA 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 182, 167, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 11 SER H 10 MET HB+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 169, 170,
&end
#
# 11 SER H 10 MET HB- 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 169, 170,
&end
#
# 15 TYR H 10 MET HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 256, 167, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 SER H 11 SER HA 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 182, 184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 CFA H 11 SER HA 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 193, 184, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 15 TYR QD 11 SER HB- 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 264, 273,
igr2= 186, 187,
&end
#
# 15 TYR QD 11 SER HB+ 3.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 264, 273,
igr2= 186, 187,
&end
#
# 11 SER H 12 CFA HG1 6.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 182, 206, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 12 CFA H 12 CFA QG2 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 202, 203, 204,
&end
#
# 12 CFA H 12 CFA QB2 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 197, 198, 199,
&end
#
# 13 ARG H 12 CFA HG1 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 216, 206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 ARG H 12 CFA HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 216, 195, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 ARG H 12 CFA HD 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 216, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 ARG H 12 CFA QG2 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 202, 203, 204,
&end
#
# 13 ARG H 12 CFA QE2 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 210, 211, 212,
&end
#
# 11 SER H 13 ARG QB 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 220, 221,
&end
#
# 13 ARG H 13 ARG HA 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 216, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 ARG H 13 ARG HB- 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 220, 221,
&end
#
# 14 VAL H 13 ARG HA 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, 218, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 14 VAL H 13 ARG HB- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 220, 221,
&end
#
# 14 VAL H 13 ARG QG 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 223, 224,
&end
#
# 26 PHE QD 13 ARG HB- 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 443, 451,
igr2= 220, 221,
&end
#
# 26 PHE QD 13 ARG HB+ 6.73 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 443, 451,
igr2= 220, 221,
&end
#
# 26 PHE QD 13 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= 443, 451,
igr2= 223, 224,
&end
#
# 26 PHE QE 13 ARG HB- 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 445, 449,
igr2= 220, 221,
&end
#
# 26 PHE QE 13 ARG HB+ 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 445, 449,
igr2= 220, 221,
&end
#
# 26 PHE QE 13 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= 445, 449,
igr2= 223, 224,
&end
#
# 9 ARG H 14 VAL QQG 6.74 (# )
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 14 VAL H 14 VAL HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 VAL H 14 VAL HB 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, 244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 VAL H 14 VAL QQG 3.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 14 VAL H 14 VAL QQG 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 15 TYR H 14 VAL HA 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 256, 242, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 15 TYR H 14 VAL QQG 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 15 TYR H 14 VAL QQG 3.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 246, 247, 248, 250, 251, 252,
&end
#
# 15 TYR H 15 TYR HA 5.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 256, 258, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 15 TYR H 15 TYR HB- 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 260, 261,
&end
#
# 15 TYR H 15 TYR HB+ 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 260, 261,
&end
#
# 15 TYR QD 15 TYR HB- 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 264, 273,
igr2= 260, 261,
&end
#
# 15 TYR QD 15 TYR HB+ 3.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 264, 273,
igr2= 260, 261,
&end
#
# 16 TYR H 15 TYR HA 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 277, 258, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 TYR H 15 TYR HB- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 260, 261,
&end
#
# 16 TYR H 15 TYR HB+ 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 260, 261,
&end
#
# 26 PHE QD 15 TYR HB- 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 443, 451,
igr2= 260, 261,
&end
#
# 26 PHE QD 15 TYR HB+ 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 443, 451,
igr2= 260, 261,
&end
#
# 26 PHE QE 15 TYR HB- 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 445, 449,
igr2= 260, 261,
&end
#
# 9 ARG H 16 TYR HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 141, 279, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 TYR QD 16 TYR QB 6.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 264, 273,
igr2= 281, 282,
&end
#
# 16 TYR H 16 TYR HA 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 277, 279, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 TYR H 16 TYR QB 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 281, 282,
&end
#
# 16 TYR QE 16 TYR HB- 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 287, 292,
igr2= 281, 282,
&end
#
# 16 TYR QE 16 TYR HB+ 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 287, 292,
igr2= 281, 282,
&end
#
# 17 PHE H 16 TYR HA 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 298, 279, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 17 PHE H 16 TYR QB 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 281, 282,
&end
#
# 6 TRP HE3 17 PHE HA 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 99, 300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 PHE H 17 PHE HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 298, 300, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 PHE H 17 PHE HB- 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 302, 303,
&end
#
# 18 ASN H 17 PHE HA 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, 300, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 18 ASN H 17 PHE HB- 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 302, 303,
&end
#
# 6 TRP HZ2 18 ASN HB2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 93, 322, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HE3 18 ASN HB2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 99, 322, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HH2 18 ASN HB2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 95, 322, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HZ3 18 ASN HB2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 97, 322, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 GLU H 18 ASN HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 104, 320, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 ASN H 18 ASN HB2 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, 322, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 18 ASN H 18 ASN HB3 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, 323, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 HIS H 18 ASN HA 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 332, 320, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 20 ILE H 18 ASN HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 350, 320, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 THR QG2 18 ASN HB3 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 375, 376, 377,
&end
#
# 21 THR QG2 18 ASN HB2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 375, 376, 377,
&end
#
# 22 ASN HA 18 ASN HB2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 385, 322, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 ALA H 18 ASN HB2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 397, 322, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 PHE HZ 19 HIS HA 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 310, 334, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 17 PHE QE 19 HIS HB+ 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 308, 312,
igr2= 336, 337,
&end
#
# 17 PHE QE 19 HIS HB- 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 308, 312,
igr2= 336, 337,
&end
#
# 19 HIS H 19 HIS HB- 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 336, 337,
&end
#
# 20 ILE H 19 HIS HA 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 350, 334, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 ILE H 19 HIS HB- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 336, 337,
&end
#
# 20 ILE H 20 ILE HB 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 350, 354, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 20 ILE H 20 ILE HG1- 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 360, 361,
&end
#
# 20 ILE H 20 ILE QG2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 356, 357, 358,
&end
#
# 21 THR H 20 ILE HB 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 369, 354, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 21 THR H 20 ILE HG1- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 360, 361,
&end
#
# 21 THR H 20 ILE QG2 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 356, 357, 358,
&end
#
# 18 ASN HD2- 21 THR HB 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 327, 328,
&end
#
# 21 THR H 21 THR QG2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 375, 376, 377,
&end
#
# 21 THR HG1 21 THR HB 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 379, 373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 THR HG1 21 THR QG 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 375, 376, 377,
&end
#
# 22 ASN H 21 THR HA 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 383, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ASN H 21 THR QG2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 375, 376, 377,
&end
#
# 23 ALA H 21 THR QG2 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 375, 376, 377,
&end
#
# 17 PHE HZ 22 ASN HB- 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 387, 388,
&end
#
# 22 ASN H 22 ASN HB- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 387, 388,
&end
#
# 22 ASN H 22 ASN HB+ 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 387, 388,
&end
#
# 22 ASN HD2- 22 ASN HB- 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 392, 393,
igr2= 387, 388,
&end
#
# 23 ALA H 22 ASN HA 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 397, 385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 ALA H 23 ALA HA 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 397, 399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 ALA H 23 ALA QB 3.24 (# )
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 401, 402, 403,
&end
#
# 24 SER H 23 ALA HA 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 407, 399, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 24 SER H 23 ALA QB 4.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 401, 402, 403,
&end
#
# 15 TYR QD 24 SER QB 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 264, 273,
igr2= 411, 412,
&end
#
# 18 ASN H 24 SER HA 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, 409, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 SER H 24 SER HB- 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 411, 412,
&end
#
# 24 SER H 24 SER HB+ 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 411, 412,
&end
#
# 25 GLN H 24 SER HA 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 418, 409, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 25 GLN H 24 SER HB- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 411, 412,
&end
#
# 25 GLN H 24 SER HB+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 411, 412,
&end
#
# 6 TRP HZ2 25 GLN QG 6.17 (# )
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 425, 426,
&end
#
# 16 TYR H 25 GLN QG 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 425, 426,
&end
#
# 25 GLN H 25 GLN HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 418, 420, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 GLN H 25 GLN QG 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 425, 426,
&end
#
# 25 GLN H 25 GLN QB 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 422, 423,
&end
#
# 26 PHE H 25 GLN QG 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 425, 426,
&end
#
# 26 PHE H 25 GLN QB 3.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 422, 423,
&end
#
# 26 PHE H 26 PHE HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 435, 437, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 PHE H 26 PHE HB- 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 439, 440,
&end
#
# 26 PHE H 26 PHE HB+ 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 439, 440,
&end
#
# 26 PHE QD 26 PHE HA 3.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 443, 451,
&end
#
# 26 PHE QD 26 PHE HB- 3.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 443, 451,
igr2= 439, 440,
&end
#
# 26 PHE QD 26 PHE HB+ 3.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 443, 451,
igr2= 439, 440,
&end
#
# 27 GLU H 26 PHE HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 455, 437, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 GLU H 26 PHE HB- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 439, 440,
&end
#
# 27 GLU H 26 PHE HB+ 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 439, 440,
&end
#
# 27 GLU H 27 GLU QG 3.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 462, 463,
&end
#
# 27 GLU H 27 GLU HB- 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 459, 460,
&end
#
# 28 ARG H 27 GLU HA 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 470, 457, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 28 ARG H 27 GLU QG 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 462, 463,
&end
#
# 28 ARG H 27 GLU HB- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 459, 460,
&end
#
# 28 ARG H 27 GLU HB+ 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 459, 460,
&end
#
# 16 TYR QE 28 ARG HA 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 287, 292,
&end
#
# 16 TYR QE 28 ARG QB 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 287, 292,
igr2= 474, 475,
&end
#
# 28 ARG H 28 ARG HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 470, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 ARG H 28 ARG QB 3.03 (# )
&rst
ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 474, 475,
&end
#
# 6 TRP HZ2 29 PRO HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 93, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HZ2 29 PRO HD- 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 495, 496,
&end
#
# 6 TRP HZ2 29 PRO HD+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 495, 496,
&end
#
# 6 TRP HZ2 29 PRO HB- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 501, 502,
&end
#
# 6 TRP HZ2 29 PRO HB+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 501, 502,
&end
#
# 6 TRP HZ2 29 PRO HG- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 498, 499,
&end
#
# 16 TYR QE 29 PRO QB 6.93 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 287, 292,
igr2= 501, 502,
&end
#
# 30 SER H 29 PRO HA 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 508, 504, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 30 SER H 29 PRO HB- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 501, 502,
&end
#
# 30 SER H 29 PRO HB+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 501, 502,
&end
#
# 31 GLY H 29 PRO HB- 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 501, 502,
&end
#
# 31 GLY H 29 PRO HB+ 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 501, 502,
&end
#
# 30 SER H 30 SER HA 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 508, 510, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 SER H 30 SER HB- 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 512, 513,
&end
#
# 30 SER H 30 SER HB+ 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 512, 513,
&end
#
# 31 GLY H 30 SER HA 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 519, 510, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 HIS H 6 TRP HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 332, 82, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 GLU H 17 PHE H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 104, 298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 ASN H 24 SER HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, 409, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 GLN H 16 TYR H 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 418, 277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 LYS HA 17 PHE H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 121, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 SER H 13 ARG H 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 182, 216, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 PHE H 7 GLU QB 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 108, 109,
&end
#
# 17 PHE QE 7 GLU QG 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 308, 312,
igr2= 111, 112,
&end
#
# 17 PHE QE 7 GLU QB 3.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 308, 312,
igr2= 108, 109,
&end
#
# 8 LYS H 8 LYS HA 3.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 119, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 LYS H 8 LYS HG- 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 126, 127,
&end
#
# 9 ARG H 8 LYS HA 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 141, 121, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 9 ARG H 8 LYS HB2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 141, 123, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ARG H 8 LYS HB3 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat= 141, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 ARG H 8 LYS QG 5.61 (# )
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 126, 127,
&end
#
# 16 TYR QE 8 LYS QB 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 287, 292,
igr2= 123, 124,
&end
#
# 16 TYR QE 8 LYS QG 4.41 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 287, 292,
igr2= 126, 127,
&end
#
# 17 PHE H 8 LYS HA 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 298, 121, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
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