NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492660 |
2kr4   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 1139 ASP HB2 1146 LEU HG 4.983 (#peak 163 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 163, nxpk= 0, iat= 773, 894, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
rk2=0.0, rk3=32.0, ir6=1, ialtd=0,
&end
#
# 1107 LEU HB3 1107 LEU QD1 4.664 (#peak 177 #SUP 0.99 #QF 0.94
)
&rst
ixpk= 177, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 266, 267, 268,
&end
#
# 1107 LEU HB3 1107 LEU QD2 4.664 (#peak 177 #SUP 0.99 #QF 0.94
)
&rst
ixpk= 177, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 270, 271, 272,
&end
#
# 1130 LEU HA 1133 LEU HB2 4.774 (#peak 184 #SUP 0.9 #QF 0.87
)
&rst
ixpk= 184, nxpk= 0, iat= 620, 682, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 1139 ASP HB2 1144 GLN H 4.653 (#peak 197 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 197, nxpk= 0, iat= 773, 853, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 1131 ARG HA 1131 ARG QD 4.257 (#peak 217 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 217, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 647, 648,
&end
#
# 1131 ARG HB2 1131 ARG QD 4.015 (#peak 224 #SUP 1
)
&rst
ixpk= 224, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 647, 648,
&end
#
# 1104 ARG HB2 1104 ARG QD 3.905 (#peak 227 #SUP 0.61 #QF 0.61
)
&rst
ixpk= 227, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 217, 218,
&end
#
# 1116 VAL HB 1151 LEU HB3 5.038 (#peak 231 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 231, nxpk= 0, iat= 399, 968, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 1100 PRO HD3 1103 PHE QE 5.643 (#peak 237 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 237, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 197, 201,
&end
#
# 1100 PRO HD3 1103 PHE QD 4.829 (#peak 238 #SUP 1
)
&rst
ixpk= 238, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 195, 203,
&end
#
# 1099 ALA QB 1100 PRO HD3 4.532 (#peak 242 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 242, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 140, 141, 142,
&end
#
# 1138 THR HB 1143 ARG HA 3.938 (#peak 258 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 258, nxpk= 0, iat= 759, 831, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 1122 THR HB 1123 VAL H 4.653 (#peak 262 #SUP 0.63 #QF 0.63
)
&rst
ixpk= 262, nxpk= 0, iat= 490, 500, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 1139 ASP HB2 1140 PRO HD2 5.39 (#peak 265 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 265, nxpk= 0, iat= 773, 782, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 1129 ILE HB 1140 PRO HD2 5.973 (#peak 266 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 266, nxpk= 0, iat= 603, 782, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 1140 PRO HD3 1146 LEU HG 5.203 (#peak 272 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 272, nxpk= 0, iat= 783, 894, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 1136 SER HA 1137 PRO HD2 3.916 (#peak 275 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 275, nxpk= 0, iat= 732, 742, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 1136 SER HA 1137 PRO HD3 3.916 (#peak 276 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 276, nxpk= 0, iat= 732, 743, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 1118 LEU HA 1119 PRO HD3 4.191 (#peak 277 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 277, nxpk= 0, iat= 437, 456, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 1152 GLU HA 1153 PRO HD3 3.586 (#peak 287 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 287, nxpk= 0, iat= 984, 999, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 1152 GLU HA 1153 PRO HD2 3.63 (#peak 288 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 288, nxpk= 0, iat= 984, 998, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 1114 ASP HA 1115 PRO HD2 3.861 (#peak 289 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 289, nxpk= 0, iat= 371, 382, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 1154 VAL HA 1155 PRO HD2 3.927 (#peak 294 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 294, nxpk= 0, iat=1013,1028, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 1118 LEU HA 1119 PRO HD2 4.191 (#peak 295 #SUP 1
)
&rst
ixpk= 295, nxpk= 0, iat= 437, 455, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 1152 GLU QG 1153 PRO HD2 4.818 (#peak 303 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 303, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 989, 990,
&end
#
# 1099 ALA HA 1100 PRO HG3 5.005 (#peak 311 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 311, nxpk= 0, iat= 138, 151, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 1113 THR HB 1114 ASP H 5.225 (#peak 316 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 316, nxpk= 0, iat= 359, 369, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 1118 LEU HB3 1122 THR HB 5.478 (#peak 319 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 319, nxpk= 0, iat= 440, 490, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 1161 ILE HA 1161 ILE HG12 4.18 (#peak 328 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 328, nxpk= 0, iat=1131,1139, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 1164 TRP HA 1167 GLU QB 4.455 (#peak 357 #SUP 0.58 #QF 0.58
)
&rst
ixpk= 357, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1244,1245,
&end
#
# 1126 ARG HA 1126 ARG HG2 4.653 (#peak 360 #SUP 0.79 #QF 0.79
)
&rst
ixpk= 360, nxpk= 0, iat= 547, 552, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 1148 GLU HA 1148 GLU QG 3.894 (#peak 363 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 363, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 927, 928,
&end
#
# 1156 GLU HA 1156 GLU QG 3.795 (#peak 372 #SUP 1
)
&rst
ixpk= 372, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1048,1049,
&end
#
# 1158 LYS HA 1158 LYS HG2 4.51 (#peak 374 #SUP 1 #QF 0.79
)
&rst
ixpk= 374, nxpk= 0, iat=1077,1082, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 1158 LYS HA 1158 LYS HG3 4.51 (#peak 377 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 377, nxpk= 0, iat=1077,1083, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 1130 LEU HA 1130 LEU QD1 3.729 (#peak 382 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 382, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 627, 628, 629,
&end
#
# 1160 GLN HA 1163 ALA QB 3.949 (#peak 384 #SUP 0.7 #QF 0.7
)
&rst
ixpk= 384, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1169,1170,1171,
&end
#
# 1162 GLN HA 1162 GLN HG3 4.191 (#peak 386 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 386, nxpk= 0, iat=1150,1156, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 1167 GLU HA 1167 GLU QB 3.212 (#peak 387 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 387, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1244,1245,
&end
#
# 1143 ARG HA 1143 ARG QG 4.664 (#peak 391 #SUP 1 #QF 0.96
)
&rst
ixpk= 391, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 836, 837,
&end
#
# 1105 ASP QB 1106 PRO HD3 4.763 (#peak 409 #SUP 0.77 #QF 0.77
)
&rst
ixpk= 409, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 235, 236,
&end
#
# 1105 ASP HA 1106 PRO HD3 3.883 (#peak 418 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 418, nxpk= 0, iat= 233, 245, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 1092 ALA HA 1093 GLU H 3.498 (#peak 419 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 419, nxpk= 0, iat= 38, 46, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 1105 ASP HA 1106 PRO HD2 3.883 (#peak 420 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 420, nxpk= 0, iat= 233, 244, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 1105 ASP QB 1125 ASP H 5.126 (#peak 432 #SUP 0.79 #QF 0.79
)
&rst
ixpk= 432, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 235, 236,
&end
#
# 1093 GLU HA 1094 ILE H 3.531 (#peak 454 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 454, nxpk= 0, iat= 48, 61, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 1160 GLN HA 1163 ALA H 5.291 (#peak 457 #SUP 0.95 #QF 0.84
)
&rst
ixpk= 457, nxpk= 0, iat=1114,1165, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 1094 ILE HA 1095 ASP H 3.377 (#peak 460 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 460, nxpk= 0, iat= 63, 80, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 1128 ILE HA 1128 ILE QG2 3.894 (#peak 465 #SUP 1 #QF 0.98
)
&rst
ixpk= 465, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 586, 587, 588,
&end
#
# 1163 ALA H 1163 ALA QB 3.19 (#peak 466 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 466, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1169,1170,1171,
&end
#
# 1099 ALA QB 1104 ARG QD 3.916 (#peak 468 #SUP 0.78 #QF 0.78
)
&rst
ixpk= 468, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 140, 141, 142,
igr2= 217, 218,
&end
#
# 1099 ALA QB 1103 PHE HB2 3.718 (#peak 469 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 469, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 140, 141, 142,
&end
#
# 1128 ILE QG2 1128 ILE HG12 3.916 (#peak 472 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 472, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 586, 587, 588,
&end
#
# 1092 ALA QB 1093 GLU H 3.355 (#peak 476 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 476, nxpk= 0, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 40, 41, 42,
&end
#
# 1144 GLN QB 1144 GLN HG2 3.014 (#peak 511 #SUP 0.68 #QF 0.68
)
&rst
ixpk= 511, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr1= 857, 858,
&end
#
# 1100 PRO HB2 1102 GLU QG 3.828 (#peak 514 #SUP 0.82 #QF 0.82
)
&rst
ixpk= 514, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 179, 180,
&end
#
# 1093 GLU HB3 1093 GLU QG 2.926 (#peak 535 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 535, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 53, 54,
&end
#
# 1093 GLU HB2 1093 GLU QG 2.926 (#peak 536 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 536, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 53, 54,
&end
#
# 1093 GLU HA 1093 GLU QG 4.103 (#peak 539 #SUP 0.94 #QF 0.2
)
&rst
ixpk= 539, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 53, 54,
&end
#
# 1138 THR HA 1144 GLN HG3 5.214 (#peak 545 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 545, nxpk= 0, iat= 757, 861, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 1143 ARG H 1144 GLN HG2 5.423 (#peak 548 #SUP 0.37 #QF 0.37
)
&rst
ixpk= 548, nxpk= 0, iat= 829, 860, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 1143 ARG H 1144 GLN HG3 5.379 (#peak 549 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 549, nxpk= 0, iat= 829, 861, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 1103 PHE HB2 1104 ARG QG 5.478 (#peak 554 #SUP 0.94 #QF 0.66
)
&rst
ixpk= 554, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 214, 215,
&end
#
# 1103 PHE HB2 1111 LEU QD2 6.05 (#peak 554 #SUP 0.94 #QF 0.66
)
&rst
ixpk= 554, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 332, 333, 334,
&end
#
# 1093 GLU HA 1094 ILE HB 5.863 (#peak 556 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 556, nxpk= 0, iat= 48, 65, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 1158 LYS HA 1161 ILE HB 4.752 (#peak 557 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 557, nxpk= 0, iat=1077,1133, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 1124 MET HB2 1129 ILE HB 4.961 (#peak 560 #SUP 0.78 #QF 0.64
)
&rst
ixpk= 560, nxpk= 0, iat= 520, 603, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 1161 ILE HB 1162 GLN QB 5.346 (#peak 560 #SUP 0.78 #QF 0.64
)
&rst
ixpk= 560, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1152,1153,
&end
#
# 1094 ILE QG2 1094 ILE QD1 3.443 (#peak 573 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 573, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 67, 68, 69,
igr2= 74, 75, 76,
&end
#
# 1094 ILE QD1 1169 GLN QG 4.796 (#peak 577 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 577, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 74, 75, 76,
igr2=1284,1285,
&end
#
# 1094 ILE HA 1094 ILE QD1 4.246 (#peak 579 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 579, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 74, 75, 76,
&end
#
# 1094 ILE QD1 1095 ASP H 5.61 (#peak 580 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 580, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 74, 75, 76,
&end
#
# 1104 ARG HA 1104 ARG QG 4.675 (#peak 602 #SUP 1
)
&rst
ixpk= 602, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 214, 215,
&end
#
# 1131 ARG HA 1131 ARG QG 4.455 (#peak 607 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 607, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 644, 645,
&end
#
# 1094 ILE QG2 1094 ILE HG13 3.938 (#peak 624 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 624, nxpk= 0, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 67, 68, 69,
&end
#
# 1094 ILE QG2 1094 ILE HG12 3.938 (#peak 625 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 625, nxpk= 0, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 67, 68, 69,
&end
#
# 1094 ILE QG2 1168 LYS HB3 3.949 (#peak 626 #SUP 1
)
&rst
ixpk= 626, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 67, 68, 69,
&end
#
# 1094 ILE HA 1094 ILE QG2 3.784 (#peak 627 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 627, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 67, 68, 69,
&end
#
# 1098 ASP H 1099 ALA QB 4.785 (#peak 634 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 634, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 140, 141, 142,
&end
#
# 1099 ALA QB 1164 TRP HZ3 4.213 (#peak 635 #SUP 0.97 #QF 0.85
)
&rst
ixpk= 635, nxpk= 0, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 140, 141, 142,
&end
#
# 1096 TYR HA 1099 ALA QB 4.928 (#peak 638 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 638, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 140, 141, 142,
&end
#
# 1099 ALA QB 1103 PHE HA 5.379 (#peak 639 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 639, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 140, 141, 142,
&end
#
# 1168 LYS HB2 1168 LYS HE2 4.972 (#peak 643 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 643, nxpk= 0, iat=1259,1268, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 1168 LYS HB2 1168 LYS HE3 5.28 (#peak 648 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 648, nxpk= 0, iat=1259,1269, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 1132 HIS HA 1135 ASN QB 4.719 (#peak 653 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 653, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 720, 721,
&end
#
# 1141 PHE QB 1142 ASN H 4.543 (#peak 669 #SUP 0.77 #QF 0.77
)
&rst
ixpk= 669, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 799, 800,
&end
#
# 1100 PRO HB2 1102 GLU HB3 5.335 (#peak 712 #SUP 0.99 #QF 0.97
)
&rst
ixpk= 712, nxpk= 0, iat= 153, 177, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 1119 PRO HG3 1146 LEU QD2 3.718 (#peak 721 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 721, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 900, 901, 902,
&end
#
# 1111 LEU HA 1111 LEU HG 3.993 (#peak 730 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 730, nxpk= 0, iat= 321, 326, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 1151 LEU HA 1151 LEU HG 4.499 (#peak 731 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 731, nxpk= 0, iat= 965, 970, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 1118 LEU HA 1146 LEU QD2 4.73 (#peak 737 #SUP 0.85 #QF 0.7
)
&rst
ixpk= 737, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 900, 901, 902,
&end
#
# 1139 ASP HA 1146 LEU QD2 5.192 (#peak 737 #SUP 0.85 #QF 0.7
)
&rst
ixpk= 737, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 900, 901, 902,
&end
#
# 1103 PHE HA 1111 LEU HG 6.05 (#peak 739 #SUP 0.95 #QF 0.78
)
&rst
ixpk= 739, nxpk= 0, iat= 189, 326, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1104 ARG HA 1111 LEU HG 6.05 (#peak 739 #SUP 0.95 #QF 0.78
)
&rst
ixpk= 739, nxpk= 0, iat= 209, 326, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1129 ILE HA 1140 PRO HG3 4.62 (#peak 740 #SUP 0.57 #QF 0.57
)
&rst
ixpk= 740, nxpk= 0, iat= 601, 786, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 1101 ASP HA 1104 ARG QD 4.312 (#peak 744 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 744, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 217, 218,
&end
#
# 1168 LYS HA 1168 LYS QD 3.828 (#peak 747 #SUP 1
)
&rst
ixpk= 747, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1265,1266,
&end
#
# 1160 GLN HA 1160 GLN HG2 4.609 (#peak 748 #SUP 1
)
&rst
ixpk= 748, nxpk= 0, iat=1114,1119, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 1164 TRP HB2 1165 MET H 4.906 (#peak 750 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 750, nxpk= 0, iat=1179,1199, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 1132 HIS HB3 1133 LEU HA 5.071 (#peak 768 #SUP 0.89 #QF 0.29
)
&rst
ixpk= 768, nxpk= 0, iat= 666, 680, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 1132 HIS HB3 1139 ASP HA 5.17 (#peak 768 #SUP 0.89 #QF 0.29
)
&rst
ixpk= 768, nxpk= 0, iat= 666, 771, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 1129 ILE QD1 1132 HIS HB3 4.785 (#peak 770 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 770, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 612, 613, 614,
&end
#
# 1104 ARG HA 1104 ARG QD 4.796 (#peak 798 #SUP 0.77 #QF 0.77
)
&rst
ixpk= 798, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 217, 218,
&end
#
# 1104 ARG HB3 1104 ARG QD 4.125 (#peak 799 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 799, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr2= 217, 218,
&end
#
# 1105 ASP QB 1124 MET QG 5.027 (#peak 803 #SUP 0.48 #QF 0.48
)
&rst
ixpk= 803, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 235, 236,
igr2= 523, 524,
&end
#
# 1104 ARG HA 1105 ASP QB 5.5 (#peak 804 #SUP 0.99 #QF 0.98
)
&rst
ixpk= 804, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 235, 236,
&end
#
# 1105 ASP QB 1108 MET HA 6.05 (#peak 804 #SUP 0.99 #QF 0.98
)
&rst
ixpk= 804, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 235, 236,
&end
#
# 1128 ILE HB 1140 PRO HG3 4.796 (#peak 814 #SUP 0.27 #QF 0.27
)
&rst
ixpk= 814, nxpk= 0, iat= 584, 786, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 1107 LEU HA 1107 LEU QD1 3.971 (#peak 815 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 815, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 266, 267, 268,
&end
#
# 1160 GLN HA 1160 GLN HG3 4.609 (#peak 819 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 819, nxpk= 0, iat=1114,1120, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 1110 THR HA 1110 THR QG2 3.685 (#peak 839 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 839, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 311, 312, 313,
&end
#
# 1110 THR H 1110 THR QG2 3.894 (#peak 842 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 842, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 311, 312, 313,
&end
#
# 1130 LEU H 1130 LEU QD1 4.62 (#peak 852 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 852, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 627, 628, 629,
&end
#
# 1111 LEU HA 1111 LEU QD2 3.696 (#peak 859 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 859, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 332, 333, 334,
&end
#
# 1116 VAL HB 1152 GLU H 5.258 (#peak 863 #SUP 0.82 #QF 0.82
)
&rst
ixpk= 863, nxpk= 0, iat= 399, 982, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 1112 MET HG3 1125 ASP HA 5.368 (#peak 869 #SUP 0.98 #QF 0.97
)
&rst
ixpk= 869, nxpk= 0, iat= 346, 535, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 1105 ASP HA 1108 MET HB2 6.05 (#peak 873 #SUP 0.47 #QF 0.47
)
&rst
ixpk= 873, nxpk= 0, iat= 233, 280, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1165 MET QB 1168 LYS H 5.621 (#peak 881 #SUP 0.65 #QF 0.65
)
&rst
ixpk= 881, nxpk= 0, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1203,1204,
&end
#
# 1138 THR HA 1138 THR QG2 3.564 (#peak 885 #SUP 0.53 #QF 0.53
)
&rst
ixpk= 885, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 761, 762, 763,
&end
#
# 1133 LEU HA 1133 LEU QD1 4.62 (#peak 886 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 886, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 687, 688, 689,
&end
#
# 1131 ARG HB3 1131 ARG QD 4.015 (#peak 903 #SUP 0.98 #QF 0.85
)
&rst
ixpk= 903, nxpk= 0, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 647, 648,
&end
#
# 1119 PRO HA 1150 MET HB3 5.236 (#peak 923 #SUP 0.96 #QF 0.92
)
&rst
ixpk= 923, nxpk= 0, iat= 464, 951, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 1126 ARG HA 1129 ILE QG2 3.432 (#peak 937 #SUP 1
)
&rst
ixpk= 937, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 605, 606, 607,
&end
#
# 1115 PRO HB2 1123 VAL QG2 4.939 (#peak 939 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 939, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 510, 511, 512,
&end
#
# 1124 MET HB3 1129 ILE HB 4.323 (#peak 942 #SUP 0.79 #QF 0.5
)
&rst
ixpk= 942, nxpk= 0, iat= 521, 603, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 1112 MET HG3 1125 ASP HB2 5.159 (#peak 945 #SUP 0.87 #QF 0.4
)
&rst
ixpk= 945, nxpk= 0, iat= 346, 537, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 1125 ASP HB2 1128 ILE HB 5.478 (#peak 945 #SUP 0.87 #QF 0.4
)
&rst
ixpk= 945, nxpk= 0, iat= 537, 584, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 1128 ILE QG2 1128 ILE QD1 3.014 (#peak 967 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 967, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 586, 587, 588,
igr2= 593, 594, 595,
&end
#
# 1128 ILE HB 1128 ILE QD1 3.685 (#peak 970 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 970, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 593, 594, 595,
&end
#
# 1129 ILE HB 1129 ILE QD1 3.443 (#peak 975 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 975, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 612, 613, 614,
&end
#
# 1129 ILE QD1 1140 PRO HD3 3.597 (#peak 976 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 976, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 612, 613, 614,
&end
#
# 1129 ILE QD1 1140 PRO HD2 4.224 (#peak 977 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 977, nxpk= 0, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 612, 613, 614,
&end
#
# 1129 ILE QD1 1146 LEU HG 3.135 (#peak 980 #SUP 0.51 #QF 0.51
)
&rst
ixpk= 980, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 612, 613, 614,
&end
#
# 1129 ILE QD1 1140 PRO HG3 4.983 (#peak 981 #SUP 0.88 #QF 0.26
)
&rst
ixpk= 981, nxpk= 0, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 612, 613, 614,
&end
#
# 1166 ARG QD 1167 GLU HA 5.5 (#peak 988 #SUP 0.23 #QF 0.23
)
&rst
ixpk= 988, nxpk= 0, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1226,1227,
&end
#
# 1112 MET QE 1115 PRO QG 4.235 (#peak 993 #SUP 0.98 #QF 0.89
)
&rst
ixpk= 993, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 349, 350, 351,
igr2= 385, 386,
&end
#
# 1115 PRO QG 1158 LYS HB2 4.554 (#peak 993 #SUP 0.98 #QF 0.89
)
&rst
ixpk= 993, nxpk= 0, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 385, 386,
&end
#
# 1130 LEU HA 1130 LEU HG 4.246 (#peak 1011 #SUP 0.97 #QF 0.95
)
&rst
ixpk= 1011, nxpk= 0, iat= 620, 625, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 1130 LEU HG 1131 ARG HA 4.862 (#peak 1011 #SUP 0.97 #QF 0.95
)
&rst
ixpk= 1011, nxpk= 0, iat= 625, 639, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 1151 LEU HA 1151 LEU QD2 3.476 (#peak 1017 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1017, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 976, 977, 978,
&end
#
# 1116 VAL QG1 1153 PRO HA 3.96 (#peak 1018 #SUP 0.61 #QF 0.61
)
&rst
ixpk= 1018, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 401, 402, 403,
&end
#
# 1116 VAL QG1 1117 ARG H 4.466 (#peak 1019 #SUP 0.5 #QF 0.5
)
&rst
ixpk= 1019, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 401, 402, 403,
&end
#
# 1139 ASP HB2 1144 GLN QB 4.906 (#peak 1022 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 1022, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 857, 858,
&end
#
# 1139 ASP HB3 1144 GLN QB 5.786 (#peak 1023 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 1023, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 857, 858,
&end
#
# 1139 ASP HB3 1140 PRO HA 6.05 (#peak 1024 #SUP 0.99 #QF 0.34
)
&rst
ixpk= 1024, nxpk= 0, iat= 774, 791, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1144 GLN QB 1144 GLN HG3 2.981 (#peak 1043 #SUP 1
)
&rst
ixpk= 1043, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr1= 857, 858,
&end
#
# 1130 LEU HA 1132 HIS H 5.214 (#peak 1061 #SUP 0.68 #QF 0.48
)
&rst
ixpk= 1061, nxpk= 0, iat= 620, 661, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 1107 LEU HG 1141 PHE HZ 4.983 (#peak 1070 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1070, nxpk= 0, iat= 264, 807, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 1157 LEU H 1157 LEU HG 4.026 (#peak 1072 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 1072, nxpk= 0, iat=1056,1063, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 1165 MET HA 1168 LYS HG2 4.829 (#peak 1089 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1089, nxpk= 0, iat=1201,1262, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 1168 LYS HA 1168 LYS HG2 4.356 (#peak 1093 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 1093, nxpk= 0, iat=1257,1262, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 1130 LEU HG 1131 ARG H 4.147 (#peak 1108 #SUP 0.24 #QF 0.24
)
&rst
ixpk= 1108, nxpk= 0, iat= 625, 637, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 1124 MET HB2 1125 ASP H 4.939 (#peak 1113 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1113, nxpk= 0, iat= 520, 533, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 1165 MET HA 1165 MET HG2 4.048 (#peak 1115 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 1115, nxpk= 0, iat=1201,1206, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 1102 GLU HA 1102 GLU QG 3.938 (#peak 1116 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1116, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 179, 180,
&end
#
# 1100 PRO HA 1102 GLU H 5.236 (#peak 1117 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 1117, nxpk= 0, iat= 156, 172, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 1115 PRO HD2 1158 LYS HG3 5.258 (#peak 1120 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1120, nxpk= 0, iat= 382,1083, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 1139 ASP HA 1146 LEU HG 5.335 (#peak 1135 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1135, nxpk= 0, iat= 771, 894, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 1131 ARG QD 1132 HIS HA 4.873 (#peak 1137 #SUP 0.27 #QF 0.27
)
&rst
ixpk= 1137, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 647, 648,
&end
#
# 1151 LEU HB2 1152 GLU H 5.412 (#peak 1139 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 1139, nxpk= 0, iat= 967, 982, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 1162 GLN HG2 1163 ALA QB 5.665 (#peak 1148 #SUP 0.56 #QF 0.43
)
&rst
ixpk= 1148, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=1169,1170,1171,
&end
#
# 1162 GLN HA 1165 MET QB 4.851 (#peak 1157 #SUP 0.99 #QF 0.38
)
&rst
ixpk= 1157, nxpk= 0, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1203,1204,
&end
#
# 1116 VAL HA 1117 ARG HB2 5.445 (#peak 1159 #SUP 0.52 #QF 0.52
)
&rst
ixpk= 1159, nxpk= 0, iat= 397, 415, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 1093 GLU H 1093 GLU HB2 4.455 (#peak 1162 #SUP 0.68 #QF 0.68
)
&rst
ixpk= 1162, nxpk= 0, iat= 46, 50, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 1132 HIS HB2 1140 PRO HB3 5.445 (#peak 1163 #SUP 0.96 #QF 0.52
)
&rst
ixpk= 1163, nxpk= 0, iat= 665, 789, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 1119 PRO HG2 1146 LEU QD2 4.554 (#peak 1166 #SUP 1
)
&rst
ixpk= 1166, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 900, 901, 902,
&end
#
# 1132 HIS HB3 1133 LEU HG 6.05 (#peak 1169 #SUP 0.61 #QF 0.61
)
&rst
ixpk= 1169, nxpk= 0, iat= 666, 685, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1094 ILE QG2 1096 TYR H 5.225 (#peak 1170 #SUP 0.59 #QF 0.59
)
&rst
ixpk= 1170, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 67, 68, 69,
&end
#
# 1128 ILE HA 1128 ILE QD1 4.411 (#peak 1171 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1171, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 593, 594, 595,
&end
#
# 1158 LYS HA 1161 ILE QD1 4.202 (#peak 1172 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 1172, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1142,1143,1144,
&end
#
# 1115 PRO HD3 1161 ILE QD1 4.532 (#peak 1173 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 1173, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1142,1143,1144,
&end
#
# 1161 ILE HA 1161 ILE QD1 4.51 (#peak 1174 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1174, nxpk= 0, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1142,1143,1144,
&end
#
# 1103 PHE HB2 1161 ILE QD1 6.05 (#peak 1175 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 1175, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1142,1143,1144,
&end
#
# 1112 MET HG3 1161 ILE QD1 4.147 (#peak 1176 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 1176, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1142,1143,1144,
&end
#
# 1115 PRO HB2 1161 ILE QD1 5.082 (#peak 1177 #SUP 0.68 #QF 0.68
)
&rst
ixpk= 1177, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1142,1143,1144,
&end
#
# 1112 MET QE 1161 ILE QD1 3.927 (#peak 1178 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 1178, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 349, 350, 351,
igr2=1142,1143,1144,
&end
#
# 1115 PRO QG 1161 ILE QD1 3.63 (#peak 1179 #SUP 1 #QF 0.87
)
&rst
ixpk= 1179, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 385, 386,
igr2=1142,1143,1144,
&end
#
# 1161 ILE HB 1161 ILE QD1 3.971 (#peak 1179 #SUP 1 #QF 0.87
)
&rst
ixpk= 1179, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1142,1143,1144,
&end
#
# 1113 THR QG2 1161 ILE QD1 5.016 (#peak 1180 #SUP 0.47 #QF 0.47
)
&rst
ixpk= 1180, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 361, 362, 363,
igr2=1142,1143,1144,
&end
#
# 1161 ILE QG2 1161 ILE QD1 3.311 (#peak 1181 #SUP 0.98 #QF 0.76
)
&rst
ixpk= 1181, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1135,1136,1137,
igr2=1142,1143,1144,
&end
#
# 1103 PHE HA 1161 ILE QD1 4.466 (#peak 1182 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 1182, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1142,1143,1144,
&end
#
# 1113 THR HA 1161 ILE QD1 4.851 (#peak 1183 #SUP 0.98 #QF 0.89
)
&rst
ixpk= 1183, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2=1142,1143,1144,
&end
#
# 1129 ILE QD1 1139 ASP H 5.797 (#peak 1184 #SUP 0.71 #QF 0.71
)
&rst
ixpk= 1184, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 612, 613, 614,
&end
#
# 1129 ILE H 1129 ILE QD1 4.851 (#peak 1186 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1186, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 612, 613, 614,
&end
#
# 1103 PHE QD 1161 ILE QD1 4.719 (#peak 1188 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 1188, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 195, 203,
igr2=1142,1143,1144,
&end
#
# 1103 PHE QE 1161 ILE QD1 5.225 (#peak 1189 #SUP 0.68 #QF 0.68
)
&rst
ixpk= 1189, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 197, 201,
igr2=1142,1143,1144,
&end
#
# 1160 GLN H 1161 ILE QD1 5.874 (#peak 1190 #SUP 0.69 #QF 0.69
)
&rst
ixpk= 1190, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2=1142,1143,1144,
&end
#
# 1161 ILE H 1161 ILE QD1 4.191 (#peak 1191 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1191, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1142,1143,1144,
&end
#
# 1157 LEU HA 1160 GLN HB3 4.675 (#peak 1197 #SUP 0.75 #QF 0.75
)
&rst
ixpk= 1197, nxpk= 0, iat=1058,1117, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 1115 PRO HB2 1157 LEU HB2 5.269 (#peak 1198 #SUP 0.96 #QF 0.54
)
&rst
ixpk= 1198, nxpk= 0, iat= 388,1060, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 1154 VAL HB 1157 LEU HB2 5.599 (#peak 1198 #SUP 0.96 #QF 0.54
)
&rst
ixpk= 1198, nxpk= 0, iat=1015,1060, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 1115 PRO HB2 1157 LEU HB3 5.137 (#peak 1199 #SUP 0.59 #QF 0.3
)
&rst
ixpk= 1199, nxpk= 0, iat= 388,1061, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 1099 ALA QB 1168 LYS HE2 5.599 (#peak 1201 #SUP 0.51 #QF 0.51
)
&rst
ixpk= 1201, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 140, 141, 142,
&end
#
# 1117 ARG HB2 1117 ARG QD 4.653 (#peak 1206 #SUP 0.66 #QF 0.66
)
&rst
ixpk= 1206, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 421, 422,
&end
#
# 1168 LYS HA 1168 LYS HE2 5.764 (#peak 1208 #SUP 0.95 #QF 0.83
)
&rst
ixpk= 1208, nxpk= 0, iat=1257,1268, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 1103 PHE QE 1164 TRP HA 5.379 (#peak 1212 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 1212, nxpk= 0, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 197, 201,
&end
#
# 1090 GLY H 1091 SER QB 5.39 (#peak 1214 #SUP 0.61 #QF 0.61
)
&rst
ixpk= 1214, nxpk= 0, iat= 18, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 29, 30,
&end
#
# 1096 TYR QD 1165 MET HA 5.5 (#peak 1224 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 1224, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 100, 109,
&end
#
# 1104 ARG HA 1111 LEU HA 4.818 (#peak 1230 #SUP 0.5 #QF 0.5
)
&rst
ixpk= 1230, nxpk= 0, iat= 209, 321, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 1163 ALA HA 1166 ARG QD 5.225 (#peak 1233 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 1233, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1226,1227,
&end
#
# 1091 SER QB 1092 ALA HA 4.576 (#peak 1235 #SUP 0.45 #QF 0.45
)
&rst
ixpk= 1235, nxpk= 0, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 29, 30,
&end
#
# 1099 ALA HA 1103 PHE QD 5.434 (#peak 1237 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 1237, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 195, 203,
&end
#
# 1099 ALA HA 1103 PHE HB3 6.05 (#peak 1238 #SUP 0.97 #QF 0.94
)
&rst
ixpk= 1238, nxpk= 0, iat= 138, 192, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1153 PRO HD2 1155 PRO HD3 6.05 (#peak 1238 #SUP 0.97 #QF 0.94
)
&rst
ixpk= 1238, nxpk= 0, iat= 998,1029, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1099 ALA HA 1103 PHE HB2 5.522 (#peak 1239 #SUP 0.82 #QF 0.82
)
&rst
ixpk= 1239, nxpk= 0, iat= 138, 191, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 1099 ALA HA 1100 PRO HG2 5.192 (#peak 1240 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 1240, nxpk= 0, iat= 138, 150, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 1100 PRO HD2 1164 TRP HZ2 5.335 (#peak 1242 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 1242, nxpk= 0, iat= 147,1188, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 1099 ALA H 1100 PRO HD2 5.566 (#peak 1243 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 1243, nxpk= 0, iat= 136, 147, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 1152 GLU H 1153 PRO HD2 5.599 (#peak 1245 #SUP 0.57 #QF 0.57
)
&rst
ixpk= 1245, nxpk= 0, iat= 982, 998, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 1105 ASP QB 1110 THR QG2 5.467 (#peak 1246 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1246, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1= 235, 236,
igr2= 311, 312, 313,
&end
#
# 1105 ASP QB 1108 MET HB3 4.983 (#peak 1247 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1247, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 235, 236,
&end
#
# 1105 ASP QB 1112 MET H 5.522 (#peak 1248 #SUP 0.56 #QF 0.56
)
&rst
ixpk= 1248, nxpk= 0, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 235, 236,
&end
#
# 1112 MET HB2 1125 ASP HB2 5.511 (#peak 1249 #SUP 0.76 #QF 0.76
)
&rst
ixpk= 1249, nxpk= 0, iat= 342, 537, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 1118 LEU HB3 1146 LEU QD2 5.5 (#peak 1251 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 1251, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 900, 901, 902,
&end
#
# 1124 MET HB3 1126 ARG H 6.05 (#peak 1253 #SUP 0.58 #QF 0.58
)
&rst
ixpk= 1253, nxpk= 0, iat= 521, 545, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1146 LEU QD2 1150 MET QG 5.39 (#peak 1273 #SUP 0.73 #QF 0.57
)
&rst
ixpk= 1273, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 900, 901, 902,
igr2= 953, 954,
&end
#
# 1147 THR QG2 1150 MET QG 5.764 (#peak 1273 #SUP 0.73 #QF 0.57
)
&rst
ixpk= 1273, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr1= 912, 913, 914,
igr2= 953, 954,
&end
#
# 1108 MET QG 1128 ILE QG2 5.423 (#peak 1274 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1274, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 283, 284,
igr2= 586, 587, 588,
&end
#
# 1108 MET HB2 1128 ILE QG2 5.511 (#peak 1276 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 1276, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 586, 587, 588,
&end
#
# 1108 MET HB2 1110 THR QG2 4.818 (#peak 1277 #SUP 0.72 #QF 0.72
)
&rst
ixpk= 1277, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 311, 312, 313,
&end
#
# 1156 GLU H 1158 LYS HB3 5.72 (#peak 1282 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 1282, nxpk= 0, iat=1041,1080, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 1129 ILE HA 1140 PRO HB3 5.687 (#peak 1291 #SUP 0.98 #QF 0.78
)
&rst
ixpk= 1291, nxpk= 0, iat= 601, 789, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 1139 ASP HA 1140 PRO HB3 6.05 (#peak 1291 #SUP 0.98 #QF 0.78
)
&rst
ixpk= 1291, nxpk= 0, iat= 771, 789, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1165 MET HA 1168 LYS HB3 5.192 (#peak 1293 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 1293, nxpk= 0, iat=1201,1260, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 1140 PRO HB2 1141 PHE HA 5.291 (#peak 1302 #SUP 0.68 #QF 0.68
)
&rst
ixpk= 1302, nxpk= 0, iat= 788, 797, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 1131 ARG H 1131 ARG QG 4.873 (#peak 1307 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 1307, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 644, 645,
&end
#
# 1107 LEU H 1107 LEU HG 5.379 (#peak 1309 #SUP 0.55 #QF 0.55
)
&rst
ixpk= 1309, nxpk= 0, iat= 257, 264, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 1118 LEU HA 1119 PRO HG2 5.456 (#peak 1310 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 1310, nxpk= 0, iat= 437, 458, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 1140 PRO HG3 1141 PHE H 4.521 (#peak 1314 #SUP 0.28 #QF 0.28
)
&rst
ixpk= 1314, nxpk= 0, iat= 786, 795, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 1148 GLU H 1151 LEU HG 5.093 (#peak 1316 #SUP 0.36 #QF 0.36
)
&rst
ixpk= 1316, nxpk= 0, iat= 920, 970, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 1107 LEU H 1107 LEU QD1 5.06 (#peak 1318 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 1318, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 266, 267, 268,
&end
#
# 1111 LEU H 1111 LEU QD2 5.038 (#peak 1320 #SUP 0.55 #QF 0.55
)
&rst
ixpk= 1320, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 332, 333, 334,
&end
#
# 1111 LEU QD2 1164 TRP HE3 4.807 (#peak 1325 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 1325, nxpk= 0, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 332, 333, 334,
&end
#
# 1103 PHE HB3 1111 LEU QD2 3.839 (#peak 1326 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 1326, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 332, 333, 334,
&end
#
# 1148 GLU HA 1151 LEU HG 3.828 (#peak 1327 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 1327, nxpk= 0, iat= 922, 970, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 1156 GLU QG 1157 LEU HG 4.202 (#peak 1328 #SUP 0.74 #QF 0.74
)
&rst
ixpk= 1328, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1048,1049,
&end
#
# 1151 LEU QD2 1152 GLU H 4.664 (#peak 1332 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 1332, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 976, 977, 978,
&end
#
# 1107 LEU QD1 1141 PHE HZ 4.642 (#peak 1335 #SUP 1
)
&rst
ixpk= 1335, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 266, 267, 268,
&end
#
# 1165 MET HA 1168 LYS HG3 5.434 (#peak 1337 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1337, nxpk= 0, iat=1201,1263, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 1094 ILE QG2 1095 ASP HB3 5.159 (#peak 1348 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 1348, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 67, 68, 69,
&end
#
# 1094 ILE QG2 1169 GLN QG 5.643 (#peak 1349 #SUP 0.71 #QF 0.71
)
&rst
ixpk= 1349, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 67, 68, 69,
igr2=1284,1285,
&end
#
# 1094 ILE QG2 1095 ASP HB2 5.159 (#peak 1350 #SUP 0.98 #QF 0.87
)
&rst
ixpk= 1350, nxpk= 0, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 67, 68, 69,
&end
#
# 1094 ILE QG2 1168 LYS HE2 5.511 (#peak 1350 #SUP 0.98 #QF 0.87
)
&rst
ixpk= 1350, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 67, 68, 69,
&end
#
# 1094 ILE QG2 1169 GLN HA 5.214 (#peak 1351 #SUP 0.79 #QF 0.79
)
&rst
ixpk= 1351, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 67, 68, 69,
&end
#
# 1094 ILE QG2 1095 ASP HA 5.258 (#peak 1352 #SUP 0.56 #QF 0.56
)
&rst
ixpk= 1352, nxpk= 0, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 67, 68, 69,
&end
#
# 1094 ILE QG2 1096 TYR HA 5.258 (#peak 1353 #SUP 0.66 #QF 0.66
)
&rst
ixpk= 1353, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 67, 68, 69,
&end
#
# 1163 ALA QB 1164 TRP HB3 5.357 (#peak 1354 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 1354, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1169,1170,1171,
&end
#
# 1163 ALA QB 1164 TRP HB2 5.115 (#peak 1355 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 1355, nxpk= 0, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1169,1170,1171,
&end
#
# 1162 GLN HG3 1163 ALA QB 4.763 (#peak 1356 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 1356, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1169,1170,1171,
&end
#
# 1163 ALA QB 1166 ARG QB 4.653 (#peak 1357 #SUP 0.82 #QF 0.82
)
&rst
ixpk= 1357, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1169,1170,1171,
igr2=1220,1221,
&end
#
# 1160 GLN H 1163 ALA QB 5.335 (#peak 1361 #SUP 0.76 #QF 0.76
)
&rst
ixpk= 1361, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=1169,1170,1171,
&end
#
# 1128 ILE QD1 1129 ILE H 5.137 (#peak 1363 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 1363, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 593, 594, 595,
&end
#
# 1127 SER H 1128 ILE QD1 6.017 (#peak 1364 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 1364, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr2= 593, 594, 595,
&end
#
# 1105 ASP H 1128 ILE QD1 6.05 (#peak 1365 #SUP 0.74 #QF 0.74
)
&rst
ixpk= 1365, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 593, 594, 595,
&end
#
# 1108 MET H 1128 ILE QD1 4.774 (#peak 1366 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 1366, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 593, 594, 595,
&end
#
# 1108 MET HB3 1128 ILE QD1 4.158 (#peak 1368 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 1368, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 593, 594, 595,
&end
#
# 1105 ASP QB 1128 ILE QD1 3.905 (#peak 1369 #SUP 0.79 #QF 0.79
)
&rst
ixpk= 1369, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 235, 236,
igr2= 593, 594, 595,
&end
#
# 1125 ASP HB3 1128 ILE QD1 4.323 (#peak 1370 #SUP 0.84 #QF 0.74
)
&rst
ixpk= 1370, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 593, 594, 595,
&end
#
# 1160 GLN H 1162 GLN HG2 5.797 (#peak 1382 #SUP 0.56 #QF 0.56
)
&rst
ixpk= 1382, nxpk= 0, iat=1112,1155, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 1112 MET HG3 1115 PRO HD3 4.345 (#peak 1390 #SUP 1
)
&rst
ixpk= 1390, nxpk= 0, iat= 346, 383, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 1099 ALA QB 1100 PRO HD2 3.96 (#peak 1391 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 1391, nxpk= 0, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 140, 141, 142,
&end
#
# 1118 LEU H 1123 VAL HA 4.378 (#peak 2 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 2, nxpk= 0, iat= 435, 502, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 1117 ARG HA 1118 LEU H 3.201 (#peak 3 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 3, nxpk= 0, iat= 413, 435, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 1118 LEU H 1122 THR HB 6.05 (#peak 5 #SUP 0.98 #QF 0.97
)
&rst
ixpk= 5, nxpk= 0, iat= 435, 490, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1118 LEU H 1118 LEU HB3 4.081 (#peak 6 #SUP 1
)
&rst
ixpk= 6, nxpk= 0, iat= 435, 440, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 1117 ARG HG2 1118 LEU H 4.675 (#peak 7 #SUP 1
)
&rst
ixpk= 7, nxpk= 0, iat= 418, 435, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 1118 LEU H 1118 LEU HB2 3.542 (#peak 8 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 8, nxpk= 0, iat= 435, 439, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 1117 ARG HG3 1118 LEU H 4.675 (#peak 9 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 9, nxpk= 0, iat= 419, 435, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 1116 VAL HA 1117 ARG H 3.212 (#peak 13 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 13, nxpk= 0, iat= 397, 411, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 1117 ARG H 1153 PRO HA 4.664 (#peak 15 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 15, nxpk= 0, iat= 411,1007, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 1117 ARG H 1117 ARG HB2 3.993 (#peak 17 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 17, nxpk= 0, iat= 411, 415, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 1116 VAL H 1124 MET H 4.026 (#peak 19 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 19, nxpk= 0, iat= 395, 516, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 1115 PRO HA 1116 VAL H 3.135 (#peak 21 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 21, nxpk= 0, iat= 391, 395, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 1115 PRO HB2 1116 VAL H 4.257 (#peak 23 #SUP 1
)
&rst
ixpk= 23, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 1116 VAL H 1116 VAL HB 4.246 (#peak 24 #SUP 1 #QF 0.65
)
&rst
ixpk= 24, nxpk= 0, iat= 395, 399, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 1124 MET HA 1125 ASP H 3.751 (#peak 27 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 27, nxpk= 0, iat= 518, 533, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 1124 MET HB3 1125 ASP H 3.498 (#peak 30 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 30, nxpk= 0, iat= 521, 533, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 1125 ASP H 1128 ILE QD1 5.511 (#peak 32 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 32, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 593, 594, 595,
&end
#
# 1156 GLU H 1157 LEU H 3.718 (#peak 34 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 34, nxpk= 0, iat=1041,1056, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 1155 PRO HD2 1156 GLU H 4.114 (#peak 38 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 38, nxpk= 0, iat=1028,1041, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 1155 PRO HD3 1156 GLU H 4.796 (#peak 39 #SUP 1
)
&rst
ixpk= 39, nxpk= 0, iat=1029,1041, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 1156 GLU H 1156 GLU QG 3.751 (#peak 40 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 40, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1048,1049,
&end
#
# 1156 GLU H 1156 GLU QB 3.146 (#peak 41 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 41, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1045,1046,
&end
#
# 1107 LEU HB3 1108 MET H 4.224 (#peak 48 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 48, nxpk= 0, iat= 262, 276, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 1108 MET H 1128 ILE QG2 4.829 (#peak 49 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 49, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 586, 587, 588,
&end
#
# 1107 LEU QD1 1108 MET H 5.863 (#peak 51 #SUP 1 #QF 0.97
)
&rst
ixpk= 51, nxpk= 0, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 266, 267, 268,
&end
#
# 1107 LEU QD2 1108 MET H 5.863 (#peak 51 #SUP 1 #QF 0.97
)
&rst
ixpk= 51, nxpk= 0, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 270, 271, 272,
&end
#
# 1102 GLU H 1102 GLU QG 4.455 (#peak 57 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 57, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 179, 180,
&end
#
# 1100 PRO HB2 1102 GLU H 4.092 (#peak 59 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 59, nxpk= 0, iat= 153, 172, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 1140 PRO HD3 1141 PHE H 5.082 (#peak 66 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 66, nxpk= 0, iat= 783, 795, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 1141 PHE H 1141 PHE QB 3.729 (#peak 67 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 67, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 799, 800,
&end
#
# 1140 PRO HG2 1141 PHE H 4.642 (#peak 68 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 68, nxpk= 0, iat= 785, 795, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 1140 PRO HB2 1141 PHE H 4.697 (#peak 69 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 69, nxpk= 0, iat= 788, 795, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 1140 PRO HB3 1141 PHE H 5.082 (#peak 70 #SUP 1 #QF 0.87
)
&rst
ixpk= 70, nxpk= 0, iat= 789, 795, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 1147 THR HA 1148 GLU H 3.256 (#peak 72 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 72, nxpk= 0, iat= 908, 920, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 1148 GLU H 1148 GLU QG 3.96 (#peak 74 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 74, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 927, 928,
&end
#
# 1148 GLU H 1148 GLU QB 3.245 (#peak 75 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 75, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 924, 925,
&end
#
# 1147 THR QG2 1148 GLU H 4.092 (#peak 76 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 76, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 912, 913, 914,
&end
#
# 1107 LEU H 1108 MET H 3.421 (#peak 78 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 78, nxpk= 0, iat= 257, 276, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 1106 PRO HD2 1107 LEU H 4.851 (#peak 81 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 81, nxpk= 0, iat= 244, 257, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 1106 PRO HB3 1107 LEU H 4.851 (#peak 82 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 82, nxpk= 0, iat= 251, 257, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 1106 PRO QG 1107 LEU H 3.806 (#peak 83 #SUP 0.99 #QF 0.66
)
&rst
ixpk= 83, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 247, 248,
&end
#
# 1107 LEU H 1107 LEU HB2 4.202 (#peak 83 #SUP 0.99 #QF 0.66
)
&rst
ixpk= 83, nxpk= 0, iat= 257, 261, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 1106 PRO HB2 1107 LEU H 4.191 (#peak 84 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 84, nxpk= 0, iat= 250, 257, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 1107 LEU H 1107 LEU HB3 4.202 (#peak 85 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 85, nxpk= 0, iat= 257, 262, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 1107 LEU H 1107 LEU QD2 5.06 (#peak 86 #SUP 1
)
&rst
ixpk= 86, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 270, 271, 272,
&end
#
# 1105 ASP H 1112 MET H 4.895 (#peak 88 #SUP 1
)
&rst
ixpk= 88, nxpk= 0, iat= 231, 338, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 1104 ARG HA 1105 ASP H 3.366 (#peak 91 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 91, nxpk= 0, iat= 209, 231, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 1105 ASP H 1111 LEU HA 6.05 (#peak 92 #SUP 0.99 #QF 0.55
)
&rst
ixpk= 92, nxpk= 0, iat= 231, 321, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1105 ASP H 1105 ASP QB 3.366 (#peak 93 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 93, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 235, 236,
&end
#
# 1104 ARG HB2 1105 ASP H 4.961 (#peak 95 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 95, nxpk= 0, iat= 211, 231, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 1104 ARG HB3 1105 ASP H 4.213 (#peak 96 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 96, nxpk= 0, iat= 212, 231, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 1104 ARG QG 1105 ASP H 4.488 (#peak 97 #SUP 1
)
&rst
ixpk= 97, nxpk= 0, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 214, 215,
&end
#
# 1123 VAL HA 1124 MET H 3.201 (#peak 100 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 100, nxpk= 0, iat= 502, 516, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 1124 MET H 1124 MET HB3 4.389 (#peak 101 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 101, nxpk= 0, iat= 516, 521, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 1124 MET H 1124 MET QG 4.884 (#peak 102 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 102, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 523, 524,
&end
#
# 1123 VAL HB 1124 MET H 5.104 (#peak 103 #SUP 0.94 #QF 0.88
)
&rst
ixpk= 103, nxpk= 0, iat= 504, 516, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 1124 MET H 1124 MET QE 5.61 (#peak 103 #SUP 0.94 #QF 0.88
)
&rst
ixpk= 103, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 527, 528, 529,
&end
#
# 1116 VAL H 1126 ARG H 4.895 (#peak 106 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 106, nxpk= 0, iat= 395, 545, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 1115 PRO HA 1126 ARG H 4.411 (#peak 108 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 108, nxpk= 0, iat= 391, 545, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 1114 ASP HB2 1126 ARG H 4.653 (#peak 110 #SUP 0.68 #QF 0.68
)
&rst
ixpk= 110, nxpk= 0, iat= 373, 545, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 1126 ARG H 1126 ARG HB2 3.41 (#peak 111 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 111, nxpk= 0, iat= 545, 549, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 1126 ARG H 1126 ARG HB3 3.586 (#peak 112 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 112, nxpk= 0, iat= 545, 550, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 1126 ARG H 1126 ARG HG2 5.137 (#peak 113 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 113, nxpk= 0, iat= 545, 552, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 1126 ARG H 1129 ILE QG2 4.653 (#peak 115 #SUP 1
)
&rst
ixpk= 115, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 605, 606, 607,
&end
#
# 1104 ARG HA 1112 MET H 4.279 (#peak 118 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 118, nxpk= 0, iat= 209, 338, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 1111 LEU HA 1112 MET H 3.311 (#peak 119 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 119, nxpk= 0, iat= 321, 338, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 1112 MET H 1112 MET HG2 3.74 (#peak 120 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 120, nxpk= 0, iat= 338, 345, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 1112 MET H 1112 MET HG3 4.235 (#peak 121 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 121, nxpk= 0, iat= 338, 346, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 1112 MET H 1112 MET HB3 3.993 (#peak 122 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 122, nxpk= 0, iat= 338, 343, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 1111 LEU QD2 1112 MET H 3.872 (#peak 125 #SUP 0.96 #QF 0.35
)
&rst
ixpk= 125, nxpk= 0, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 332, 333, 334,
&end
#
# 1112 MET H 1161 ILE QD1 4.95 (#peak 126 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 126, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1142,1143,1144,
&end
#
# 1127 SER H 1128 ILE H 3.806 (#peak 128 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 128, nxpk= 0, iat= 569, 580, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 1114 ASP HB2 1127 SER H 5.412 (#peak 130 #SUP 0.92 #QF 0.68
)
&rst
ixpk= 130, nxpk= 0, iat= 373, 569, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 1126 ARG HD3 1127 SER H 5.742 (#peak 130 #SUP 0.92 #QF 0.68
)
&rst
ixpk= 130, nxpk= 0, iat= 556, 569, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 1125 ASP HB3 1127 SER H 4.928 (#peak 131 #SUP 0.69 #QF 0.69
)
&rst
ixpk= 131, nxpk= 0, iat= 538, 569, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 1126 ARG HB2 1127 SER H 4.664 (#peak 132 #SUP 0.75 #QF 0.75
)
&rst
ixpk= 132, nxpk= 0, iat= 549, 569, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 1126 ARG HB3 1127 SER H 3.619 (#peak 133 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 133, nxpk= 0, iat= 550, 569, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 1164 TRP HB3 1165 MET H 3.993 (#peak 139 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 139, nxpk= 0, iat=1180,1199, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 1165 MET H 1165 MET HG3 3.674 (#peak 141 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 141, nxpk= 0, iat=1199,1207, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 1161 ILE QG2 1165 MET H 4.719 (#peak 142 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 142, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1135,1136,1137,
&end
#
# 1096 TYR HA 1098 ASP H 4.576 (#peak 145 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 145, nxpk= 0, iat= 94, 124, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 1097 SER QB 1098 ASP H 4.499 (#peak 148 #SUP 1
)
&rst
ixpk= 148, nxpk= 0, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 117, 118,
&end
#
# 1098 ASP H 1098 ASP HB2 4.169 (#peak 149 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 149, nxpk= 0, iat= 124, 128, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 1098 ASP H 1098 ASP HB3 4.169 (#peak 150 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 150, nxpk= 0, iat= 124, 129, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 1137 PRO HA 1138 THR H 3.542 (#peak 154 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 154, nxpk= 0, iat= 751, 755, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 1119 PRO HA 1121 GLY H 4.719 (#peak 156 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 156, nxpk= 0, iat= 464, 479, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 1120 SER QB 1121 GLY H 4.697 (#peak 158 #SUP 0.99 #QF 0.21
)
&rst
ixpk= 158, nxpk= 0, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 472, 473,
&end
#
# 1137 PRO HB3 1138 THR H 5.115 (#peak 160 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 160, nxpk= 0, iat= 749, 755, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 1118 LEU HB2 1121 GLY H 4.719 (#peak 162 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 162, nxpk= 0, iat= 439, 479, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 1095 ASP HA 1097 SER H 4.587 (#peak 166 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 166, nxpk= 0, iat= 82, 113, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 1097 SER H 1097 SER QB 3.685 (#peak 168 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 168, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 117, 118,
&end
#
# 1108 MET H 1109 ASP H 3.674 (#peak 169 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 169, nxpk= 0, iat= 276, 293, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 1107 LEU H 1109 ASP H 4.334 (#peak 170 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 170, nxpk= 0, iat= 257, 293, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 1109 ASP H 1110 THR H 4.07 (#peak 172 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 172, nxpk= 0, iat= 293, 305, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 1109 ASP H 1109 ASP HB2 4.554 (#peak 174 #SUP 1
)
&rst
ixpk= 174, nxpk= 0, iat= 293, 297, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 1105 ASP QB 1109 ASP H 4.367 (#peak 175 #SUP 0.92 #QF 0.79
)
&rst
ixpk= 175, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 235, 236,
&end
#
# 1108 MET HB3 1109 ASP H 4.664 (#peak 177 #SUP 1
)
&rst
ixpk= 177, nxpk= 0, iat= 281, 293, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 1104 ARG HB3 1109 ASP H 5.907 (#peak 178 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 178, nxpk= 0, iat= 212, 293, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 1139 ASP H 1144 GLN H 4.389 (#peak 180 #SUP 0.82 #QF 0.82
)
&rst
ixpk= 180, nxpk= 0, iat= 769, 853, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 1138 THR HA 1139 ASP H 3.256 (#peak 181 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 181, nxpk= 0, iat= 757, 769, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 1139 ASP H 1143 ARG HA 4.631 (#peak 183 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 183, nxpk= 0, iat= 769, 831, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 1138 THR HB 1139 ASP H 3.707 (#peak 184 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 184, nxpk= 0, iat= 759, 769, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 1139 ASP H 1139 ASP HB3 3.74 (#peak 185 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 185, nxpk= 0, iat= 769, 774, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 1139 ASP H 1139 ASP HB2 3.641 (#peak 186 #SUP 0.95 #QF 0.94
)
&rst
ixpk= 186, nxpk= 0, iat= 769, 773, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 1139 ASP H 1144 GLN QB 6.05 (#peak 187 #SUP 0.9 #QF 0.34
)
&rst
ixpk= 187, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 857, 858,
&end
#
# 1138 THR QG2 1139 ASP H 4.059 (#peak 189 #SUP 1
)
&rst
ixpk= 189, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 761, 762, 763,
&end
#
# 1114 ASP H 1114 ASP HB2 4.191 (#peak 190 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 190, nxpk= 0, iat= 369, 373, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 1113 THR QG2 1114 ASP H 4.862 (#peak 191 #SUP 1
)
&rst
ixpk= 191, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 361, 362, 363,
&end
#
# 1112 MET HA 1114 ASP H 4.939 (#peak 192 #SUP 0.99 #QF 0.98
)
&rst
ixpk= 192, nxpk= 0, iat= 340, 369, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 1114 ASP H 1114 ASP HB3 4.323 (#peak 193 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 193, nxpk= 0, iat= 369, 374, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 1112 MET HB2 1114 ASP H 4.95 (#peak 194 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 194, nxpk= 0, iat= 342, 369, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 1095 ASP HA 1096 TYR H 3.135 (#peak 198 #SUP 0.78 #QF 0.78
)
&rst
ixpk= 198, nxpk= 0, iat= 82, 92, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 1126 ARG HA 1130 LEU H 4.675 (#peak 199 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 199, nxpk= 0, iat= 547, 618, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 1096 TYR H 1096 TYR HB3 4.4 (#peak 200 #SUP 1
)
&rst
ixpk= 200, nxpk= 0, iat= 92, 97, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 1096 TYR H 1096 TYR HB2 3.784 (#peak 201 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 201, nxpk= 0, iat= 92, 96, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 1095 ASP HB3 1096 TYR H 5.203 (#peak 203 #SUP 1
)
&rst
ixpk= 203, nxpk= 0, iat= 85, 92, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 1129 ILE H 1130 LEU H 3.729 (#peak 205 #SUP 1
)
&rst
ixpk= 205, nxpk= 0, iat= 599, 618, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 1129 ILE HB 1130 LEU H 4.62 (#peak 209 #SUP 1
)
&rst
ixpk= 209, nxpk= 0, iat= 603, 618, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 1130 LEU H 1130 LEU HB3 3.267 (#peak 210 #SUP 0.91 #QF 0.85
)
&rst
ixpk= 210, nxpk= 0, iat= 618, 623, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 1130 LEU H 1130 LEU HB2 3.993 (#peak 211 #SUP 1
)
&rst
ixpk= 211, nxpk= 0, iat= 618, 622, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 1129 ILE QG2 1130 LEU H 3.476 (#peak 212 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 212, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 605, 606, 607,
&end
#
# 1110 THR HA 1111 LEU H 3.223 (#peak 215 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 215, nxpk= 0, iat= 307, 319, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 1111 LEU H 1111 LEU HB2 3.355 (#peak 217 #SUP 0.78 #QF 0.78
)
&rst
ixpk= 217, nxpk= 0, iat= 319, 323, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 1111 LEU H 1111 LEU HB3 3.355 (#peak 218 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 218, nxpk= 0, iat= 319, 324, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 1110 THR QG2 1111 LEU H 4.103 (#peak 219 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 219, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 311, 312, 313,
&end
#
# 1104 ARG QG 1111 LEU H 4.444 (#peak 220 #SUP 0.46 #QF 0.46
)
&rst
ixpk= 220, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 214, 215,
&end
#
# 1138 THR HA 1146 LEU H 3.773 (#peak 222 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 222, nxpk= 0, iat= 757, 887, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 1145 MET HA 1146 LEU H 3.047 (#peak 224 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 224, nxpk= 0, iat= 872, 887, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 1137 PRO QG 1146 LEU H 5.115 (#peak 226 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 226, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 745, 746,
&end
#
# 1138 THR QG2 1146 LEU H 4.631 (#peak 228 #SUP 0.78 #QF 0.78
)
&rst
ixpk= 228, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 761, 762, 763,
&end
#
# 1122 THR HA 1123 VAL H 3.179 (#peak 231 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 231, nxpk= 0, iat= 488, 500, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 1123 VAL H 1123 VAL HB 3.41 (#peak 232 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 232, nxpk= 0, iat= 500, 504, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 1122 THR QG2 1123 VAL H 3.344 (#peak 233 #SUP 0.78 #QF 0.78
)
&rst
ixpk= 233, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 492, 493, 494,
&end
#
# 1095 ASP H 1095 ASP HB2 3.828 (#peak 236 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 236, nxpk= 0, iat= 80, 84, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 1095 ASP H 1095 ASP HB3 3.828 (#peak 237 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 237, nxpk= 0, iat= 80, 85, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 1094 ILE HB 1095 ASP H 4.653 (#peak 238 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 238, nxpk= 0, iat= 65, 80, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 1094 ILE QG2 1095 ASP H 3.729 (#peak 239 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 239, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 67, 68, 69,
&end
#
# 1117 ARG H 1152 GLU H 3.938 (#peak 240 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 240, nxpk= 0, iat= 411, 982, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 1151 LEU HA 1152 GLU H 3.135 (#peak 243 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 243, nxpk= 0, iat= 965, 982, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 1152 GLU H 1152 GLU QG 4.51 (#peak 244 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 244, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 989, 990,
&end
#
# 1152 GLU H 1152 GLU HB2 4.312 (#peak 245 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 245, nxpk= 0, iat= 982, 986, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 1117 ARG HB3 1152 GLU H 4.224 (#peak 246 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 246, nxpk= 0, iat= 416, 982, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 1151 LEU HB3 1152 GLU H 4.059 (#peak 247 #SUP 0.54 #QF 0.54
)
&rst
ixpk= 247, nxpk= 0, iat= 968, 982, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 1116 VAL QG1 1152 GLU H 5.181 (#peak 248 #SUP 0.89 #QF 0.85
)
&rst
ixpk= 248, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 401, 402, 403,
&end
#
# 1098 ASP H 1099 ALA H 3.487 (#peak 249 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 249, nxpk= 0, iat= 124, 136, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 1097 SER HA 1099 ALA H 4.73 (#peak 252 #SUP 1
)
&rst
ixpk= 252, nxpk= 0, iat= 115, 136, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 1098 ASP HB2 1099 ALA H 4.84 (#peak 254 #SUP 0.68 #QF 0.68
)
&rst
ixpk= 254, nxpk= 0, iat= 128, 136, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 1098 ASP HB3 1099 ALA H 4.84 (#peak 255 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 255, nxpk= 0, iat= 129, 136, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 1099 ALA H 1099 ALA QB 3.069 (#peak 256 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 256, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 140, 141, 142,
&end
#
# 1101 ASP H 1102 GLU H 3.916 (#peak 257 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 257, nxpk= 0, iat= 160, 172, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 1100 PRO HA 1101 ASP H 2.915 (#peak 260 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 260, nxpk= 0, iat= 156, 160, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 1101 ASP H 1101 ASP HB2 3.806 (#peak 261 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 261, nxpk= 0, iat= 160, 164, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 1101 ASP H 1101 ASP HB3 3.806 (#peak 262 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 262, nxpk= 0, iat= 160, 165, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 1100 PRO HB3 1101 ASP H 4.213 (#peak 263 #SUP 1
)
&rst
ixpk= 263, nxpk= 0, iat= 154, 160, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 1100 PRO HB2 1101 ASP H 4.158 (#peak 264 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 264, nxpk= 0, iat= 153, 160, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 1093 GLU HB2 1094 ILE H 4.367 (#peak 267 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 267, nxpk= 0, iat= 50, 61, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 1094 ILE H 1094 ILE HB 3.377 (#peak 268 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 268, nxpk= 0, iat= 61, 65, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 1094 ILE H 1094 ILE HG12 4.191 (#peak 269 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 269, nxpk= 0, iat= 61, 71, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 1094 ILE H 1094 ILE HG13 4.191 (#peak 270 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 270, nxpk= 0, iat= 61, 72, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 1094 ILE H 1094 ILE QG2 4.29 (#peak 272 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 272, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 67, 68, 69,
&end
#
# 1164 TRP H 1165 MET H 3.718 (#peak 273 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 273, nxpk= 0, iat=1175,1199, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 1164 TRP H 1164 TRP HB3 3.399 (#peak 276 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 276, nxpk= 0, iat=1175,1180, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 1164 TRP H 1164 TRP HB2 3.454 (#peak 277 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 277, nxpk= 0, iat=1175,1179, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 1161 ILE HA 1164 TRP H 4.301 (#peak 278 #SUP 1
)
&rst
ixpk= 278, nxpk= 0, iat=1131,1175, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 1160 GLN HB3 1164 TRP H 5.896 (#peak 279 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 279, nxpk= 0, iat=1117,1175, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 1163 ALA QB 1164 TRP H 3.52 (#peak 280 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 280, nxpk= 0, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1169,1170,1171,
&end
#
# 1128 ILE H 1129 ILE H 3.542 (#peak 282 #SUP 1
)
&rst
ixpk= 282, nxpk= 0, iat= 580, 599, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 1125 ASP HB3 1128 ILE H 3.938 (#peak 286 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 286, nxpk= 0, iat= 538, 580, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 1128 ILE H 1128 ILE HB 3.355 (#peak 287 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 287, nxpk= 0, iat= 580, 584, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 1128 ILE H 1128 ILE HG12 4.158 (#peak 288 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 288, nxpk= 0, iat= 580, 590, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 1128 ILE H 1128 ILE HG13 4.158 (#peak 289 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 289, nxpk= 0, iat= 580, 591, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 1128 ILE H 1128 ILE QG2 4.191 (#peak 290 #SUP 0.79 #QF 0.79
)
&rst
ixpk= 290, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 586, 587, 588,
&end
#
# 1157 LEU H 1158 LYS H 3.553 (#peak 293 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 293, nxpk= 0, iat=1056,1075, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 1156 GLU QG 1157 LEU H 4.092 (#peak 297 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 297, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1048,1049,
&end
#
# 1156 GLU QB 1157 LEU H 4.092 (#peak 298 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 298, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1045,1046,
&end
#
# 1093 GLU H 1093 GLU QG 4.598 (#peak 303 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 303, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 53, 54,
&end
#
# 1093 GLU H 1093 GLU HB3 4.455 (#peak 305 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 305, nxpk= 0, iat= 46, 51, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 1160 GLN H 1161 ILE H 3.663 (#peak 307 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 307, nxpk= 0, iat=1112,1129, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 1159 GLU H 1160 GLN H 3.696 (#peak 308 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 308, nxpk= 0, iat=1097,1112, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 1157 LEU HA 1160 GLN H 4.092 (#peak 310 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 310, nxpk= 0, iat=1058,1112, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 1160 GLN H 1160 GLN HB2 3.399 (#peak 312 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 312, nxpk= 0, iat=1112,1116, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 1159 GLU QB 1160 GLN H 3.575 (#peak 313 #SUP 0.82 #QF 0.82
)
&rst
ixpk= 313, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1101,1102,
&end
#
# 1160 GLN H 1161 ILE HB 5.544 (#peak 314 #SUP 1 #QF 0.95
)
&rst
ixpk= 314, nxpk= 0, iat=1112,1133, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 1131 ARG H 1132 HIS H 3.498 (#peak 318 #SUP 1
)
&rst
ixpk= 318, nxpk= 0, iat= 637, 661, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 1129 ILE HA 1132 HIS H 4.356 (#peak 319 #SUP 1
)
&rst
ixpk= 319, nxpk= 0, iat= 601, 661, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 1132 HIS H 1132 HIS HB3 3.586 (#peak 321 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 321, nxpk= 0, iat= 661, 666, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 1132 HIS H 1132 HIS HB2 3.487 (#peak 322 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 322, nxpk= 0, iat= 661, 665, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 1166 ARG H 1167 GLU H 3.432 (#peak 325 #SUP 0.71 #QF 0.71
)
&rst
ixpk= 325, nxpk= 0, iat=1216,1240, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 1155 PRO HA 1158 LYS H 4.026 (#peak 328 #SUP 0.99 #QF 0.94
)
&rst
ixpk= 328, nxpk= 0, iat=1037,1075, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 1164 TRP HA 1167 GLU H 4.554 (#peak 328 #SUP 0.99 #QF 0.94
)
&rst
ixpk= 328, nxpk= 0, iat=1177,1240, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 1167 GLU H 1167 GLU QB 2.981 (#peak 331 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 331, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr2=1244,1245,
&end
#
# 1158 LYS H 1158 LYS HB2 3.377 (#peak 332 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 332, nxpk= 0, iat=1075,1079, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 1126 ARG HA 1129 ILE H 4.741 (#peak 338 #SUP 0.87 #QF 0.57
)
&rst
ixpk= 338, nxpk= 0, iat= 547, 599, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 1128 ILE HB 1129 ILE H 3.465 (#peak 339 #SUP 0.99 #QF 0.91
)
&rst
ixpk= 339, nxpk= 0, iat= 584, 599, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 1129 ILE H 1129 ILE HB 3.773 (#peak 339 #SUP 0.99 #QF 0.91
)
&rst
ixpk= 339, nxpk= 0, iat= 599, 603, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 1129 ILE H 1129 ILE QG2 3.245 (#peak 340 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 340, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 605, 606, 607,
&end
#
# 1116 VAL HA 1154 VAL H 3.927 (#peak 342 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 342, nxpk= 0, iat= 397,1011, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 1153 PRO HA 1154 VAL H 3.322 (#peak 343 #SUP 1 #QF 0.73
)
&rst
ixpk= 343, nxpk= 0, iat=1007,1011, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 1154 VAL H 1155 PRO HA 6.05 (#peak 344 #SUP 0.48 #QF 0.48
)
&rst
ixpk= 344, nxpk= 0, iat=1011,1037, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1154 VAL H 1155 PRO HD2 5.258 (#peak 345 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 345, nxpk= 0, iat=1011,1028, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 1154 VAL H 1155 PRO HD3 5.181 (#peak 346 #SUP 1
)
&rst
ixpk= 346, nxpk= 0, iat=1011,1029, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 1154 VAL H 1154 VAL QG2 4.862 (#peak 350 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 350, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1021,1022,1023,
&end
#
# 1121 GLY H 1122 THR H 3.641 (#peak 351 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 351, nxpk= 0, iat= 479, 486, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 1120 SER HA 1122 THR H 5.709 (#peak 354 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 354, nxpk= 0, iat= 470, 486, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 1120 SER QB 1122 THR H 4.015 (#peak 355 #SUP 0.99 #QF 0.62
)
&rst
ixpk= 355, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 472, 473,
&end
#
# 1122 THR H 1122 THR HB 3.663 (#peak 356 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 356, nxpk= 0, iat= 486, 490, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 1118 LEU HB3 1122 THR H 4.895 (#peak 358 #SUP 1
)
&rst
ixpk= 358, nxpk= 0, iat= 440, 486, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 1118 LEU HB2 1122 THR H 4.345 (#peak 359 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 359, nxpk= 0, iat= 439, 486, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 1122 THR H 1122 THR QG2 4.433 (#peak 360 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 360, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 492, 493, 494,
&end
#
# 1139 ASP HB3 1144 GLN H 3.993 (#peak 364 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 364, nxpk= 0, iat= 774, 853, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 1144 GLN H 1144 GLN HG3 3.696 (#peak 365 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 365, nxpk= 0, iat= 853, 861, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 1144 GLN H 1144 GLN QB 3.245 (#peak 366 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 366, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 857, 858,
&end
#
# 1101 ASP HA 1104 ARG H 4.785 (#peak 369 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 369, nxpk= 0, iat= 162, 207, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 1103 PHE HB2 1104 ARG H 4.609 (#peak 371 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 371, nxpk= 0, iat= 191, 207, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 1104 ARG H 1104 ARG HB2 3.531 (#peak 372 #SUP 0.77 #QF 0.77
)
&rst
ixpk= 372, nxpk= 0, iat= 207, 211, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 1104 ARG H 1104 ARG HB3 4.378 (#peak 373 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 373, nxpk= 0, iat= 207, 212, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 1104 ARG H 1104 ARG QG 4.125 (#peak 374 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 374, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr2= 214, 215,
&end
#
# 1102 GLU HA 1104 ARG H 4.62 (#peak 375 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 375, nxpk= 0, iat= 174, 207, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 1165 MET H 1166 ARG H 3.751 (#peak 376 #SUP 1
)
&rst
ixpk= 376, nxpk= 0, iat=1199,1216, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 1166 ARG H 1166 ARG QB 3.256 (#peak 381 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 381, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1220,1221,
&end
#
# 1163 ALA QB 1166 ARG H 5.379 (#peak 382 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 382, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1169,1170,1171,
&end
#
# 1150 MET H 1151 LEU H 3.432 (#peak 384 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 384, nxpk= 0, iat= 946, 963, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 1149 SER QB 1150 MET H 3.96 (#peak 386 #SUP 0.97 #QF 0.49
)
&rst
ixpk= 386, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 939, 940,
&end
#
# 1165 MET HA 1168 LYS H 4.257 (#peak 387 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 387, nxpk= 0, iat=1201,1255, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 1150 MET H 1150 MET HB2 3.938 (#peak 388 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 388, nxpk= 0, iat= 946, 950, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 1168 LYS H 1168 LYS HB2 3.267 (#peak 389 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 389, nxpk= 0, iat=1255,1259, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 1168 LYS H 1168 LYS HG2 3.564 (#peak 391 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 391, nxpk= 0, iat=1255,1262, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 1168 LYS H 1168 LYS HG3 4.29 (#peak 392 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 392, nxpk= 0, iat=1255,1263, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 1150 MET H 1150 MET QG 3.542 (#peak 393 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 393, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 953, 954,
&end
#
# 1132 HIS H 1133 LEU H 3.63 (#peak 396 #SUP 1
)
&rst
ixpk= 396, nxpk= 0, iat= 661, 678, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 1133 LEU H 1134 LEU H 3.751 (#peak 397 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 397, nxpk= 0, iat= 678, 697, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 1130 LEU HA 1133 LEU H 4.015 (#peak 400 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 400, nxpk= 0, iat= 620, 678, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 1132 HIS HB3 1133 LEU H 3.795 (#peak 401 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 401, nxpk= 0, iat= 666, 678, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 1132 HIS HB2 1133 LEU H 4.257 (#peak 402 #SUP 1
)
&rst
ixpk= 402, nxpk= 0, iat= 665, 678, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 1133 LEU H 1133 LEU HB3 4.048 (#peak 404 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 404, nxpk= 0, iat= 678, 683, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 1133 LEU H 1133 LEU QD1 4.411 (#peak 405 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 405, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 687, 688, 689,
&end
#
# 1133 LEU H 1133 LEU QD2 4.411 (#peak 406 #SUP 1
)
&rst
ixpk= 406, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 691, 692, 693,
&end
#
# 1158 LYS HA 1162 GLN H 4.906 (#peak 409 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 409, nxpk= 0, iat=1077,1148, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 1162 GLN H 1162 GLN HG2 3.674 (#peak 411 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 411, nxpk= 0, iat=1148,1155, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 1162 GLN H 1162 GLN HG3 3.96 (#peak 412 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 412, nxpk= 0, iat=1148,1156, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 1162 GLN H 1162 GLN QB 3.377 (#peak 413 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 413, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1152,1153,
&end
#
# 1161 ILE HB 1162 GLN H 3.509 (#peak 414 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 414, nxpk= 0, iat=1133,1148, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 1130 LEU H 1131 ARG H 3.707 (#peak 416 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 416, nxpk= 0, iat= 618, 637, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 1128 ILE HA 1131 ARG H 4.158 (#peak 420 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 420, nxpk= 0, iat= 582, 637, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 1130 LEU HB2 1131 ARG H 4.642 (#peak 423 #SUP 0.78 #QF 0.54
)
&rst
ixpk= 423, nxpk= 0, iat= 622, 637, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 1165 MET HA 1169 GLN H 5.148 (#peak 434 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 434, nxpk= 0, iat=1201,1277, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 1169 GLN H 1169 GLN HB3 3.773 (#peak 435 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 435, nxpk= 0, iat=1277,1282, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 1168 LYS HB2 1169 GLN H 3.817 (#peak 436 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 436, nxpk= 0, iat=1259,1277, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 1150 MET HA 1151 LEU H 3.883 (#peak 439 #SUP 1 #QF 0.9
)
&rst
ixpk= 439, nxpk= 0, iat= 948, 963, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 1151 LEU H 1151 LEU HG 3.586 (#peak 441 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 441, nxpk= 0, iat= 963, 970, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 1141 PHE H 1142 ASN H 3.443 (#peak 442 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 442, nxpk= 0, iat= 795, 815, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 1142 ASN H 1143 ARG HA 4.422 (#peak 447 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 447, nxpk= 0, iat= 815, 831, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 1142 ASN H 1143 ARG QD 5.027 (#peak 448 #SUP 0.91 #QF 0.81
)
&rst
ixpk= 448, nxpk= 0, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 839, 840,
&end
#
# 1139 ASP HB2 1142 ASN H 5.115 (#peak 450 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 450, nxpk= 0, iat= 773, 815, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 1102 GLU H 1103 PHE H 3.938 (#peak 451 #SUP 1
)
&rst
ixpk= 451, nxpk= 0, iat= 172, 187, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 1103 PHE H 1103 PHE HB3 4.092 (#peak 455 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 455, nxpk= 0, iat= 187, 192, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 1100 PRO HB2 1103 PHE H 4.103 (#peak 457 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 457, nxpk= 0, iat= 153, 187, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 1100 PRO HG3 1103 PHE H 5.192 (#peak 458 #SUP 1
)
&rst
ixpk= 458, nxpk= 0, iat= 151, 187, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 1169 GLN HB3 1170 SER H 4.763 (#peak 459 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 459, nxpk= 0, iat=1282,1294, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 1135 ASN H 1136 SER H 3.179 (#peak 461 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 461, nxpk= 0, iat= 716, 730, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 1136 SER H 1136 SER HB2 4.488 (#peak 462 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 462, nxpk= 0, iat= 730, 734, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 1135 ASN QB 1136 SER H 3.729 (#peak 463 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 463, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 720, 721,
&end
#
# 1133 LEU HA 1135 ASN H 4.906 (#peak 466 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 466, nxpk= 0, iat= 680, 716, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 1132 HIS HA 1135 ASN H 4.928 (#peak 467 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 467, nxpk= 0, iat= 663, 716, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 1135 ASN H 1135 ASN QB 3.509 (#peak 469 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 469, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 720, 721,
&end
#
# 1134 LEU HB3 1135 ASN H 4.554 (#peak 470 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 470, nxpk= 0, iat= 702, 716, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 1141 PHE H 1143 ARG H 4.455 (#peak 471 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 471, nxpk= 0, iat= 795, 829, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 1142 ASN H 1143 ARG H 3.421 (#peak 472 #SUP 1
)
&rst
ixpk= 472, nxpk= 0, iat= 815, 829, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 1143 ARG H 1143 ARG HA 3.201 (#peak 475 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 475, nxpk= 0, iat= 829, 831, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 1138 THR HB 1143 ARG H 4.807 (#peak 476 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 476, nxpk= 0, iat= 759, 829, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 1139 ASP HB3 1143 ARG H 4.213 (#peak 477 #SUP 0.95 #QF 0.88
)
&rst
ixpk= 477, nxpk= 0, iat= 774, 829, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 1143 ARG H 1143 ARG QG 4.532 (#peak 480 #SUP 1
)
&rst
ixpk= 480, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 836, 837,
&end
#
# 1148 GLU H 1149 SER H 4.543 (#peak 481 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 481, nxpk= 0, iat= 920, 935, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 1147 THR HA 1149 SER H 4.653 (#peak 484 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 484, nxpk= 0, iat= 908, 935, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 1147 THR HB 1149 SER H 4.4 (#peak 485 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 485, nxpk= 0, iat= 910, 935, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 1149 SER H 1149 SER QB 3.916 (#peak 487 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 487, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 939, 940,
&end
#
# 1148 GLU QG 1149 SER H 4.807 (#peak 489 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 489, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 927, 928,
&end
#
# 1148 GLU QB 1149 SER H 4.312 (#peak 490 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 490, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 924, 925,
&end
#
# 1147 THR QG2 1149 SER H 5.071 (#peak 491 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 491, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 912, 913, 914,
&end
#
# 1146 LEU HA 1147 THR H 3.289 (#peak 493 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 493, nxpk= 0, iat= 889, 906, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 1147 THR H 1150 MET QG 4.411 (#peak 495 #SUP 0.61 #QF 0.61
)
&rst
ixpk= 495, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 953, 954,
&end
#
# 1146 LEU QD2 1147 THR H 3.564 (#peak 497 #SUP 0.97 #QF 0.92
)
&rst
ixpk= 497, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 900, 901, 902,
&end
#
# 1146 LEU QD1 1147 THR H 3.784 (#peak 497 #SUP 0.97 #QF 0.92
)
&rst
ixpk= 497, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 896, 897, 898,
&end
#
# 1146 LEU HG 1147 THR H 5.511 (#peak 498 #SUP 0.98 #QF 0.96
)
&rst
ixpk= 498, nxpk= 0, iat= 894, 906, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 1147 THR H 1151 LEU HG 5.896 (#peak 498 #SUP 0.98 #QF 0.96
)
&rst
ixpk= 498, nxpk= 0, iat= 906, 970, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 1120 SER H 1121 GLY H 3.905 (#peak 499 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 499, nxpk= 0, iat= 468, 479, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 1119 PRO HD2 1120 SER H 4.774 (#peak 504 #SUP 1 #QF 0.72
)
&rst
ixpk= 504, nxpk= 0, iat= 455, 468, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 1118 LEU HB3 1120 SER H 3.949 (#peak 505 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 505, nxpk= 0, iat= 440, 468, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 1119 PRO HB2 1120 SER H 4.026 (#peak 506 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 506, nxpk= 0, iat= 461, 468, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 1118 LEU HB2 1120 SER H 4.158 (#peak 507 #SUP 1
)
&rst
ixpk= 507, nxpk= 0, iat= 439, 468, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 1113 THR H 1114 ASP H 3.388 (#peak 509 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 509, nxpk= 0, iat= 355, 369, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 1112 MET HA 1113 THR H 3.905 (#peak 512 #SUP 1
)
&rst
ixpk= 512, nxpk= 0, iat= 340, 355, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 1112 MET HG2 1113 THR H 4.884 (#peak 513 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 513, nxpk= 0, iat= 345, 355, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 1112 MET HB2 1113 THR H 4.598 (#peak 514 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 514, nxpk= 0, iat= 342, 355, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 1113 THR H 1113 THR QG2 4.246 (#peak 515 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 515, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 361, 362, 363,
&end
#
# 1105 ASP H 1110 THR H 4.422 (#peak 516 #SUP 1
)
&rst
ixpk= 516, nxpk= 0, iat= 231, 305, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 1108 MET HB3 1110 THR H 4.378 (#peak 524 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 524, nxpk= 0, iat= 281, 305, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 1159 GLU H 1159 GLU QB 3.069 (#peak 532 #SUP 0.71 #QF 0.71
)
&rst
ixpk= 532, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
igr2=1101,1102,
&end
#
# 1158 LYS HG2 1159 GLU H 5.533 (#peak 533 #SUP 1
)
&rst
ixpk= 533, nxpk= 0, iat=1082,1097, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 1158 LYS HG3 1159 GLU H 5.533 (#peak 534 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 534, nxpk= 0, iat=1083,1097, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 1155 PRO HA 1159 GLU H 4.774 (#peak 535 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 535, nxpk= 0, iat=1037,1097, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 1158 LYS HB2 1159 GLU H 4.169 (#peak 536 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 536, nxpk= 0, iat=1079,1097, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 1170 SER HA 1172 ASP H 4.037 (#peak 538 #SUP 0.76 #QF 0.76
)
&rst
ixpk= 538, nxpk= 0, iat=1296,1316, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 1162 GLN HG2 1163 ALA H 4.136 (#peak 539 #SUP 0.82 #QF 0.82
)
&rst
ixpk= 539, nxpk= 0, iat=1155,1165, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 1158 LYS HA 1161 ILE H 4.301 (#peak 543 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 543, nxpk= 0, iat=1077,1129, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 1160 GLN HB3 1161 ILE H 4.224 (#peak 545 #SUP 0.97 #QF 0.54
)
&rst
ixpk= 545, nxpk= 0, iat=1117,1129, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 1162 GLN QB 1163 ALA H 4.565 (#peak 545 #SUP 0.97 #QF 0.54
)
&rst
ixpk= 545, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1152,1153,
&end
#
# 1161 ILE H 1161 ILE HB 3.179 (#peak 546 #SUP 0.98 #QF 0.87
)
&rst
ixpk= 546, nxpk= 0, iat=1129,1133, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 1161 ILE H 1161 ILE HG13 3.421 (#peak 547 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 547, nxpk= 0, iat=1129,1140, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 1161 ILE H 1161 ILE HG12 4.136 (#peak 549 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 549, nxpk= 0, iat=1129,1139, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 1170 SER HA 1171 SER H 3.707 (#peak 553 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 553, nxpk= 0, iat=1296,1305, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 1171 SER H 1171 SER QB 3.96 (#peak 554 #SUP 0.75 #QF 0.75
)
&rst
ixpk= 554, nxpk= 0, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1309,1310,
&end
#
# 1091 SER HA 1092 ALA H 3.916 (#peak 559 #SUP 1
)
&rst
ixpk= 559, nxpk= 0, iat= 27, 36, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 1092 ALA H 1092 ALA QB 4.224 (#peak 560 #SUP 1
)
&rst
ixpk= 560, nxpk= 0, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 40, 41, 42,
&end
#
# 1090 GLY H 1091 SER HA 5.06 (#peak 561 #SUP 0.6 #QF 0.6
)
&rst
ixpk= 561, nxpk= 0, iat= 18, 27, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 1144 GLN HA 1145 MET H 3.047 (#peak 564 #SUP 0.56 #QF 0.56
)
&rst
ixpk= 564, nxpk= 0, iat= 855, 870, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 1124 MET H 1125 ASP H 5.247 (#peak 566 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 566, nxpk= 0, iat= 516, 533, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 1163 ALA H 1164 TRP H 3.762 (#peak 576 #SUP 0.57 #QF 0.57
)
&rst
ixpk= 576, nxpk= 0, iat=1165,1175, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 1117 ARG H 1154 VAL H 5.214 (#peak 579 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 579, nxpk= 0, iat= 411,1011, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 1158 LYS H 1159 GLU H 3.454 (#peak 581 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 581, nxpk= 0, iat=1075,1097, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 1120 SER H 1122 THR H 5.016 (#peak 584 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 584, nxpk= 0, iat= 468, 486, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 1108 MET H 1110 THR H 5.159 (#peak 585 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 585, nxpk= 0, iat= 276, 305, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 1169 GLN H 1169 GLN HB2 3.773 (#peak 587 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 587, nxpk= 0, iat=1277,1281, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 1093 GLU QG 1094 ILE H 4.862 (#peak 588 #SUP 1
)
&rst
ixpk= 588, nxpk= 0, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 53, 54,
&end
#
# 1099 ALA H 1100 PRO HD3 5.808 (#peak 589 #SUP 1
)
&rst
ixpk= 589, nxpk= 0, iat= 136, 148, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 1139 ASP H 1140 PRO HD3 5.599 (#peak 590 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 590, nxpk= 0, iat= 769, 783, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 1094 ILE HG12 1095 ASP H 5.731 (#peak 591 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 591, nxpk= 0, iat= 71, 80, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 1094 ILE HG13 1095 ASP H 5.731 (#peak 592 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 592, nxpk= 0, iat= 72, 80, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 1100 PRO HG2 1101 ASP H 5.115 (#peak 594 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 594, nxpk= 0, iat= 150, 160, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 1161 ILE QD1 1162 GLN H 5.159 (#peak 597 #SUP 1
)
&rst
ixpk= 597, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1142,1143,1144,
&end
#
# 1138 THR QG2 1143 ARG H 5.17 (#peak 600 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 600, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 761, 762, 763,
&end
#
# 1119 PRO HD3 1120 SER H 4.774 (#peak 602 #SUP 1
)
&rst
ixpk= 602, nxpk= 0, iat= 456, 468, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 1118 LEU HA 1120 SER H 4.796 (#peak 603 #SUP 1
)
&rst
ixpk= 603, nxpk= 0, iat= 437, 468, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 1095 ASP H 1096 TYR H 5.016 (#peak 604 #SUP 0.73 #QF 0.73
)
&rst
ixpk= 604, nxpk= 0, iat= 80, 92, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 1102 GLU H 1104 ARG H 5.027 (#peak 605 #SUP 0.73 #QF 0.73
)
&rst
ixpk= 605, nxpk= 0, iat= 172, 207, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 1149 SER H 1150 MET H 4.257 (#peak 606 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 606, nxpk= 0, iat= 935, 946, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 1111 LEU H 1112 MET H 5.093 (#peak 609 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 609, nxpk= 0, iat= 319, 338, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 1118 LEU H 1121 GLY H 4.862 (#peak 611 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 611, nxpk= 0, iat= 435, 479, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 1118 LEU H 1122 THR H 4.972 (#peak 613 #SUP 1
)
&rst
ixpk= 613, nxpk= 0, iat= 435, 486, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 1129 ILE H 1129 ILE HG13 5.478 (#peak 622 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 622, nxpk= 0, iat= 599, 610, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 1129 ILE H 1131 ARG H 4.906 (#peak 624 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 624, nxpk= 0, iat= 599, 637, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 1133 LEU H 1135 ASN H 5.214 (#peak 626 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 626, nxpk= 0, iat= 678, 716, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 1136 SER H 1138 THR H 5.06 (#peak 627 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 627, nxpk= 0, iat= 730, 755, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 1137 PRO HB2 1138 THR H 5.115 (#peak 628 #SUP 1
)
&rst
ixpk= 628, nxpk= 0, iat= 748, 755, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 1118 LEU HB3 1121 GLY H 5.17 (#peak 629 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 629, nxpk= 0, iat= 440, 479, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 1138 THR HB 1144 GLN H 5.203 (#peak 632 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 632, nxpk= 0, iat= 759, 853, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 1143 ARG QG 1144 GLN H 6.05 (#peak 633 #SUP 1 #QF 0.96
)
&rst
ixpk= 633, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 836, 837,
&end
#
# 1138 THR QG2 1144 GLN H 5.214 (#peak 634 #SUP 0.66 #QF 0.66
)
&rst
ixpk= 634, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 761, 762, 763,
&end
#
# 1145 MET H 1145 MET HG2 4.675 (#peak 635 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 635, nxpk= 0, iat= 870, 877, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 1145 MET H 1145 MET HG3 4.675 (#peak 636 #SUP 0.77 #QF 0.77
)
&rst
ixpk= 636, nxpk= 0, iat= 870, 878, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 1144 GLN HG3 1145 MET H 4.345 (#peak 637 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 637, nxpk= 0, iat= 861, 870, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 1138 THR QG2 1145 MET H 5.225 (#peak 638 #SUP 0.82 #QF 0.82
)
&rst
ixpk= 638, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 761, 762, 763,
&end
#
# 1145 MET H 1146 LEU H 4.884 (#peak 639 #SUP 0.73 #QF 0.73
)
&rst
ixpk= 639, nxpk= 0, iat= 870, 887, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 1146 LEU H 1147 THR H 5.005 (#peak 642 #SUP 1
)
&rst
ixpk= 642, nxpk= 0, iat= 887, 906, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 1147 THR H 1148 GLU H 5.291 (#peak 643 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 643, nxpk= 0, iat= 906, 920, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 1149 SER H 1151 LEU H 5.445 (#peak 644 #SUP 0.97 #QF 0.84
)
&rst
ixpk= 644, nxpk= 0, iat= 935, 963, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 1156 GLU H 1158 LYS H 5.302 (#peak 645 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 645, nxpk= 0, iat=1041,1075, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 1157 LEU H 1159 GLU H 4.895 (#peak 646 #SUP 1
)
&rst
ixpk= 646, nxpk= 0, iat=1056,1097, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 1158 LYS H 1161 ILE H 5.456 (#peak 647 #SUP 1
)
&rst
ixpk= 647, nxpk= 0, iat=1075,1129, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 1165 MET H 1167 GLU H 5.082 (#peak 648 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 648, nxpk= 0, iat=1199,1240, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 1103 PHE HZ 1164 TRP H 5.896 (#peak 650 #SUP 1
)
&rst
ixpk= 650, nxpk= 0, iat= 199,1175, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 1129 ILE H 1132 HIS H 5.775 (#peak 651 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 651, nxpk= 0, iat= 599, 661, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 1138 THR H 1146 LEU HB2 5.478 (#peak 652 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 652, nxpk= 0, iat= 755, 891, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 1150 MET HB2 1151 LEU H 4.697 (#peak 653 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 653, nxpk= 0, iat= 950, 963, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 1125 ASP H 1125 ASP HB3 3.817 (#peak 654 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 654, nxpk= 0, iat= 533, 538, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 1108 MET H 1108 MET QG 4.895 (#peak 656 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 656, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 283, 284,
&end
#
# 1144 GLN H 1144 GLN HG2 3.74 (#peak 657 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 657, nxpk= 0, iat= 853, 860, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 1126 ARG HG2 1127 SER H 5.632 (#peak 662 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 662, nxpk= 0, iat= 552, 569, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 1126 ARG HG3 1127 SER H 5.632 (#peak 663 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 663, nxpk= 0, iat= 553, 569, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 1170 SER H 1170 SER QB 3.52 (#peak 666 #SUP 0.62 #QF 0.62
)
&rst
ixpk= 666, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1298,1299,
&end
#
# 1112 MET HB3 1113 THR H 5.115 (#peak 670 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 670, nxpk= 0, iat= 343, 355, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 1113 THR H 1161 ILE QD1 5.731 (#peak 672 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 672, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2=1142,1143,1144,
&end
#
# 1118 LEU H 1123 VAL H 5.995 (#peak 676 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 676, nxpk= 0, iat= 435, 500, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 1118 LEU H 1152 GLU H 6.05 (#peak 677 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 677, nxpk= 0, iat= 435, 982, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1117 ARG QD 1118 LEU H 5.775 (#peak 678 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 678, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 421, 422,
&end
#
# 1118 LEU H 1119 PRO HA 6.05 (#peak 679 #SUP 0.82 #QF 0.61
)
&rst
ixpk= 679, nxpk= 0, iat= 435, 464, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1118 LEU H 1151 LEU HA 6.05 (#peak 679 #SUP 0.82 #QF 0.61
)
&rst
ixpk= 679, nxpk= 0, iat= 435, 965, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1126 ARG H 1129 ILE H 5.434 (#peak 680 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 680, nxpk= 0, iat= 545, 599, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 1126 ARG H 1128 ILE H 5.709 (#peak 681 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 681, nxpk= 0, iat= 545, 580, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 1125 ASP H 1126 ARG H 5.819 (#peak 682 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 682, nxpk= 0, iat= 533, 545, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 1114 ASP HA 1126 ARG H 5.94 (#peak 683 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 683, nxpk= 0, iat= 371, 545, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 1114 ASP HB3 1126 ARG H 4.565 (#peak 689 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 689, nxpk= 0, iat= 374, 545, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 1103 PHE HB3 1112 MET H 5.731 (#peak 691 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 691, nxpk= 0, iat= 192, 338, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 1104 ARG H 1112 MET H 5.742 (#peak 692 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 692, nxpk= 0, iat= 207, 338, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 1117 ARG HA 1123 VAL H 6.05 (#peak 695 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 695, nxpk= 0, iat= 413, 500, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1128 ILE H 1130 LEU H 4.675 (#peak 701 #SUP 0.3 #QF 0.3
)
&rst
ixpk= 701, nxpk= 0, iat= 580, 618, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 1097 SER H 1099 ALA H 5.973 (#peak 703 #SUP 0.64 #QF 0.64
)
&rst
ixpk= 703, nxpk= 0, iat= 113, 136, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 1096 TYR QD 1097 SER H 6.05 (#peak 704 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 704, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 100, 109,
&end
#
# 1096 TYR HB3 1097 SER H 5.368 (#peak 705 #SUP 1
)
&rst
ixpk= 705, nxpk= 0, iat= 97, 113, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 1096 TYR QD 1098 ASP H 5.896 (#peak 708 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 708, nxpk= 0, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 100, 109,
&end
#
# 1096 TYR HB3 1098 ASP H 5.588 (#peak 709 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 709, nxpk= 0, iat= 97, 124, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 1096 TYR HA 1099 ALA H 4.994 (#peak 710 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 710, nxpk= 0, iat= 94, 136, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 1097 SER QB 1099 ALA H 5.544 (#peak 711 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 711, nxpk= 0, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 117, 118,
&end
#
# 1100 PRO HG3 1101 ASP H 6.05 (#peak 713 #SUP 1
)
&rst
ixpk= 713, nxpk= 0, iat= 151, 160, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1101 ASP H 1104 ARG QD 6.05 (#peak 714 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 714, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 217, 218,
&end
#
# 1100 PRO HD2 1102 GLU H 6.05 (#peak 718 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 718, nxpk= 0, iat= 147, 172, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1100 PRO HG3 1102 GLU H 5.313 (#peak 719 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 719, nxpk= 0, iat= 151, 172, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 1102 GLU H 1104 ARG HB2 6.05 (#peak 720 #SUP 0.46 #QF 0.46
)
&rst
ixpk= 720, nxpk= 0, iat= 172, 211, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1101 ASP HA 1103 PHE H 4.972 (#peak 721 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 721, nxpk= 0, iat= 162, 187, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 1100 PRO HD2 1103 PHE H 5.577 (#peak 722 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 722, nxpk= 0, iat= 147, 187, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 1103 PHE H 1103 PHE HB2 3.597 (#peak 723 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 723, nxpk= 0, iat= 187, 191, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 1103 PHE H 1104 ARG HB3 6.05 (#peak 724 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 724, nxpk= 0, iat= 187, 212, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1099 ALA QB 1103 PHE H 4.95 (#peak 725 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 725, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 140, 141, 142,
&end
#
# 1105 ASP H 1109 ASP H 5.445 (#peak 726 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 726, nxpk= 0, iat= 231, 293, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 1104 ARG H 1105 ASP H 5.566 (#peak 728 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 728, nxpk= 0, iat= 207, 231, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 1104 ARG QD 1105 ASP H 5.918 (#peak 731 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 731, nxpk= 0, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 217, 218,
&end
#
# 1107 LEU H 1110 THR H 6.05 (#peak 734 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 734, nxpk= 0, iat= 257, 305, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1105 ASP HA 1107 LEU H 5.401 (#peak 735 #SUP 0.74 #QF 0.74
)
&rst
ixpk= 735, nxpk= 0, iat= 233, 257, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 1109 ASP H 1110 THR QG2 5.61 (#peak 736 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 736, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 311, 312, 313,
&end
#
# 1110 THR H 1111 LEU H 5.577 (#peak 739 #SUP 0.78 #QF 0.78
)
&rst
ixpk= 739, nxpk= 0, iat= 305, 319, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 1105 ASP HA 1110 THR H 6.05 (#peak 741 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 741, nxpk= 0, iat= 233, 305, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1112 MET H 1113 THR H 5.72 (#peak 742 #SUP 1
)
&rst
ixpk= 742, nxpk= 0, iat= 338, 355, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 1110 THR H 1112 MET H 6.05 (#peak 744 #SUP 0.53 #QF 0.53
)
&rst
ixpk= 744, nxpk= 0, iat= 305, 338, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1112 MET HG2 1114 ASP H 5.489 (#peak 747 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 747, nxpk= 0, iat= 345, 369, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 1112 MET QE 1114 ASP H 5.368 (#peak 748 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 748, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 349, 350, 351,
&end
#
# 1114 ASP H 1115 PRO QG 5.643 (#peak 749 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 749, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 385, 386,
&end
#
# 1112 MET HG3 1114 ASP H 5.346 (#peak 751 #SUP 1
)
&rst
ixpk= 751, nxpk= 0, iat= 346, 369, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 1112 MET HB3 1114 ASP H 5.412 (#peak 752 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 752, nxpk= 0, iat= 343, 369, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 1116 VAL H 1126 ARG HA 5.808 (#peak 754 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 754, nxpk= 0, iat= 395, 547, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 1116 VAL H 1129 ILE QG2 5.533 (#peak 757 #SUP 1
)
&rst
ixpk= 757, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2= 605, 606, 607,
&end
#
# 1117 ARG H 1118 LEU H 5.302 (#peak 758 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 758, nxpk= 0, iat= 411, 435, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 1117 ARG H 1151 LEU HA 5.412 (#peak 759 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 759, nxpk= 0, iat= 411, 965, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 1117 ARG H 1117 ARG QD 5.698 (#peak 760 #SUP 0.62 #QF 0.62
)
&rst
ixpk= 760, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 421, 422,
&end
#
# 1117 ARG H 1152 GLU QG 5.577 (#peak 761 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 761, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 989, 990,
&end
#
# 1118 LEU H 1120 SER H 5.632 (#peak 766 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 766, nxpk= 0, iat= 435, 468, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 1120 SER H 1146 LEU QD2 5.94 (#peak 767 #SUP 0.82 #QF 0.82
)
&rst
ixpk= 767, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2= 900, 901, 902,
&end
#
# 1136 SER HA 1138 THR H 5.544 (#peak 770 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 770, nxpk= 0, iat= 732, 755, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 1123 VAL H 1124 MET H 5.445 (#peak 772 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 772, nxpk= 0, iat= 500, 516, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 1124 MET H 1129 ILE QG2 6.05 (#peak 775 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 775, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 605, 606, 607,
&end
#
# 1123 VAL QG1 1124 MET H 3.883 (#peak 776 #SUP 0.98 #QF 0.5
)
&rst
ixpk= 776, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 506, 507, 508,
&end
#
# 1125 ASP H 1129 ILE H 5.698 (#peak 777 #SUP 1
)
&rst
ixpk= 777, nxpk= 0, iat= 533, 599, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 1125 ASP H 1128 ILE H 5.742 (#peak 778 #SUP 0.8 #QF 0.8
)
&rst
ixpk= 778, nxpk= 0, iat= 533, 580, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 1124 MET QE 1125 ASP H 5.599 (#peak 779 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 779, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 527, 528, 529,
&end
#
# 1126 ARG HD2 1127 SER H 5.742 (#peak 781 #SUP 1
)
&rst
ixpk= 781, nxpk= 0, iat= 555, 569, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 1127 SER H 1129 ILE QG2 4.961 (#peak 782 #SUP 1
)
&rst
ixpk= 782, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 605, 606, 607,
&end
#
# 1127 SER H 1127 SER QB 3.762 (#peak 784 #SUP 1
)
&rst
ixpk= 784, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 573, 574,
&end
#
# 1127 SER H 1129 ILE H 5.236 (#peak 787 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 787, nxpk= 0, iat= 569, 599, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 1129 ILE H 1132 HIS HB2 6.05 (#peak 788 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 788, nxpk= 0, iat= 599, 665, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1125 ASP HB3 1129 ILE H 5.049 (#peak 789 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 789, nxpk= 0, iat= 538, 599, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 1124 MET HB3 1129 ILE H 4.972 (#peak 790 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 790, nxpk= 0, iat= 521, 599, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 1131 ARG H 1131 ARG QD 5.06 (#peak 791 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 791, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 647, 648,
&end
#
# 1132 HIS HA 1134 LEU H 5.357 (#peak 793 #SUP 0.35 #QF 0.35
)
&rst
ixpk= 793, nxpk= 0, iat= 663, 697, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 1129 ILE QG2 1131 ARG H 4.972 (#peak 794 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 794, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 605, 606, 607,
&end
#
# 1128 ILE HA 1132 HIS H 5.049 (#peak 795 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 795, nxpk= 0, iat= 582, 661, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 1131 ARG QD 1132 HIS H 5.258 (#peak 796 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 796, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 647, 648,
&end
#
# 1131 ARG QG 1132 HIS H 4.972 (#peak 799 #SUP 1
)
&rst
ixpk= 799, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 644, 645,
&end
#
# 1132 HIS H 1140 PRO HB3 6.05 (#peak 800 #SUP 0.82 #QF 0.4
)
&rst
ixpk= 800, nxpk= 0, iat= 661, 789, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1132 HIS H 1140 PRO HG3 6.05 (#peak 800 #SUP 0.82 #QF 0.4
)
&rst
ixpk= 800, nxpk= 0, iat= 661, 786, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1133 LEU H 1137 PRO HA 6.05 (#peak 801 #SUP 0.32 #QF 0.32
)
&rst
ixpk= 801, nxpk= 0, iat= 678, 751, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1132 HIS HB2 1134 LEU H 6.05 (#peak 802 #SUP 0.86 #QF 0.55
)
&rst
ixpk= 802, nxpk= 0, iat= 665, 697, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1132 HIS HB3 1135 ASN H 6.05 (#peak 804 #SUP 0.99 #QF 0.93
)
&rst
ixpk= 804, nxpk= 0, iat= 666, 716, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1136 SER H 1137 PRO HA 5.324 (#peak 806 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 806, nxpk= 0, iat= 730, 751, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 1136 SER H 1137 PRO HD2 5.335 (#peak 807 #SUP 0.61 #QF 0.61
)
&rst
ixpk= 807, nxpk= 0, iat= 730, 742, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 1138 THR H 1138 THR QG2 4.081 (#peak 808 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 808, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 761, 762, 763,
&end
#
# 1139 ASP HB3 1141 PHE H 4.642 (#peak 810 #SUP 1 #QF 0.75
)
&rst
ixpk= 810, nxpk= 0, iat= 774, 795, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 1140 PRO HD2 1141 PHE H 4.983 (#peak 810 #SUP 1 #QF 0.75
)
&rst
ixpk= 810, nxpk= 0, iat= 782, 795, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 1139 ASP HA 1143 ARG H 5.665 (#peak 812 #SUP 1 #QF 0.9
)
&rst
ixpk= 812, nxpk= 0, iat= 771, 829, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 1141 PHE HA 1143 ARG H 6.05 (#peak 812 #SUP 1 #QF 0.9
)
&rst
ixpk= 812, nxpk= 0, iat= 797, 829, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1139 ASP H 1143 ARG H 5.159 (#peak 813 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 813, nxpk= 0, iat= 769, 829, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 1143 ARG H 1143 ARG QD 4.411 (#peak 814 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 814, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 839, 840,
&end
#
# 1142 ASN HA 1144 GLN H 5.698 (#peak 815 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 815, nxpk= 0, iat= 817, 853, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 1138 THR HA 1144 GLN H 5.566 (#peak 817 #SUP 0.71 #QF 0.71
)
&rst
ixpk= 817, nxpk= 0, iat= 757, 853, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 1138 THR HA 1145 MET H 6.028 (#peak 818 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 818, nxpk= 0, iat= 757, 870, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 1149 SER H 1151 LEU QD1 6.05 (#peak 823 #SUP 0.99 #QF 0.97
)
&rst
ixpk= 823, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 972, 973, 974,
&end
#
# 1147 THR HA 1150 MET H 5.423 (#peak 824 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 824, nxpk= 0, iat= 908, 946, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 1149 SER QB 1151 LEU H 5.401 (#peak 825 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 825, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 939, 940,
&end
#
# 1150 MET QG 1151 LEU H 5.269 (#peak 826 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 826, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 953, 954,
&end
#
# 1151 LEU H 1151 LEU HB2 3.344 (#peak 827 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 827, nxpk= 0, iat= 963, 967, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 1151 LEU H 1152 GLU H 5.346 (#peak 828 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 828, nxpk= 0, iat= 963, 982, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 1152 GLU H 1153 PRO HD3 5.511 (#peak 829 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 829, nxpk= 0, iat= 982, 999, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 1117 ARG HB2 1154 VAL H 6.05 (#peak 830 #SUP 0.68 #QF 0.68
)
&rst
ixpk= 830, nxpk= 0, iat= 415,1011, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1154 VAL HA 1157 LEU H 5.346 (#peak 832 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 832, nxpk= 0, iat=1013,1056, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 1157 LEU H 1157 LEU HB2 3.641 (#peak 834 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 834, nxpk= 0, iat=1056,1060, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 1157 LEU H 1157 LEU HB3 4.048 (#peak 835 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 835, nxpk= 0, iat=1056,1061, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 1157 LEU H 1161 ILE QD1 6.05 (#peak 836 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 836, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1142,1143,1144,
&end
#
# 1115 PRO HD3 1158 LYS H 6.05 (#peak 838 #SUP 1
)
&rst
ixpk= 838, nxpk= 0, iat= 383,1075, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1167 GLU H 1168 LYS HG2 5.137 (#peak 840 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 840, nxpk= 0, iat=1240,1262, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 1158 LYS H 1161 ILE QD1 5.247 (#peak 841 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 841, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1142,1143,1144,
&end
#
# 1156 GLU H 1159 GLU H 5.874 (#peak 842 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 842, nxpk= 0, iat=1041,1097, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 1157 LEU HA 1159 GLU H 5.214 (#peak 844 #SUP 0.7 #QF 0.7
)
&rst
ixpk= 844, nxpk= 0, iat=1058,1097, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 1161 ILE HG12 1162 GLN H 5.907 (#peak 850 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 850, nxpk= 0, iat=1139,1148, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 1164 TRP H 1167 GLU QB 6.05 (#peak 852 #SUP 0.7 #QF 0.7
)
&rst
ixpk= 852, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1244,1245,
&end
#
# 1161 ILE QG2 1164 TRP H 5.412 (#peak 854 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 854, nxpk= 0, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1135,1136,1137,
&end
#
# 1165 MET H 1165 MET HG2 3.806 (#peak 855 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 855, nxpk= 0, iat=1199,1206, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 1165 MET H 1165 MET QB 3.531 (#peak 856 #SUP 1
)
&rst
ixpk= 856, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1203,1204,
&end
#
# 1164 TRP HB3 1166 ARG H 5.709 (#peak 857 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 857, nxpk= 0, iat=1180,1216, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 1166 ARG H 1166 ARG QD 5.357 (#peak 858 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 858, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1226,1227,
&end
#
# 1165 MET HG3 1166 ARG H 5.313 (#peak 859 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 859, nxpk= 0, iat=1207,1216, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 1094 ILE QD1 1169 GLN H 5.082 (#peak 860 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 860, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 74, 75, 76,
&end
#
# 1168 LYS HG3 1169 GLN H 5.753 (#peak 861 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 861, nxpk= 0, iat=1263,1277, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 1094 ILE QG2 1169 GLN H 5.973 (#peak 862 #SUP 1
)
&rst
ixpk= 862, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 67, 68, 69,
&end
#
# 1116 VAL H 1124 MET HB3 5.984 (#peak 872 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 872, nxpk= 0, iat= 395, 521, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 1117 ARG HA 1122 THR H 6.05 (#peak 873 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 873, nxpk= 0, iat= 413, 486, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1155 PRO HD3 1158 LYS H 6.05 (#peak 875 #SUP 0.61 #QF 0.61
)
&rst
ixpk= 875, nxpk= 0, iat=1029,1075, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1164 TRP HB3 1167 GLU H 6.05 (#peak 877 #SUP 0.67 #QF 0.67
)
&rst
ixpk= 877, nxpk= 0, iat=1180,1240, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1163 ALA HA 1166 ARG H 4.345 (#peak 878 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 878, nxpk= 0, iat=1167,1216, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 1132 HIS HB3 1134 LEU H 5.676 (#peak 880 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 880, nxpk= 0, iat= 666, 697, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 1158 LYS H 1158 LYS HB3 3.157 (#peak 881 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 881, nxpk= 0, iat=1075,1080, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 1134 LEU H 1136 SER H 4.829 (#peak 882 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 882, nxpk= 0, iat= 697, 730, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 1103 PHE H 1103 PHE QD 4.367 (#peak 2 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 2, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 195, 203,
&end
#
# 1164 TRP HE3 1165 MET HA 4.092 (#peak 29 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 29, nxpk= 0, iat=1194,1201, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 1096 TYR QE 1165 MET HA 4.213 (#peak 30 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 30, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 102, 107,
&end
#
# 1158 LYS HA 1160 GLN H 4.675 (#peak 32 #SUP 0.44 #QF 0.44
)
&rst
ixpk= 32, nxpk= 0, iat=1077,1112, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 1103 PHE QE 1164 TRP HB2 3.993 (#peak 33 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 33, nxpk= 0, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 197, 201,
&end
#
# 1103 PHE HB3 1104 ARG H 4.609 (#peak 41 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 41, nxpk= 0, iat= 192, 207, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 1104 ARG H 1104 ARG QD 4.345 (#peak 54 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 54, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 217, 218,
&end
#
# 1100 PRO HD2 1103 PHE QE 4.994 (#peak 57 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 57, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 197, 201,
&end
#
# 1164 TRP HE3 1165 MET HG3 3.938 (#peak 59 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 59, nxpk= 0, iat=1194,1207, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 1100 PRO HD2 1103 PHE QD 4.543 (#peak 61 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 61, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 195, 203,
&end
#
# 1168 LYS H 1168 LYS HE3 5.214 (#peak 83 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 83, nxpk= 0, iat=1255,1269, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 1125 ASP H 1125 ASP HB2 4.268 (#peak 84 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 84, nxpk= 0, iat= 533, 537, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 1172 ASP H 1172 ASP QB 4.158 (#peak 87 #SUP 1 #QF 0.99
)
&rst
ixpk= 87, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1320,1321,
&end
#
# 1172 ASP QB 1173 HIS H 4.631 (#peak 88 #SUP 0.54 #QF 0.54
)
&rst
ixpk= 88, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1320,1321,
&end
#
# 1105 ASP QB 1141 PHE QE 5.203 (#peak 90 #SUP 0.64 #QF 0.64
)
&rst
ixpk= 90, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 235, 236,
igr2= 805, 809,
&end
#
# 1105 ASP QB 1108 MET H 4.675 (#peak 91 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 91, nxpk= 0, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 235, 236,
&end
#
# 1105 ASP QB 1107 LEU H 4.257 (#peak 92 #SUP 0.98 #QF 0.97
)
&rst
ixpk= 92, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 235, 236,
&end
#
# 1105 ASP QB 1110 THR H 4.697 (#peak 94 #SUP 1
)
&rst
ixpk= 94, nxpk= 0, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 235, 236,
&end
#
# 1109 ASP H 1109 ASP HB3 4.554 (#peak 98 #SUP 1
)
&rst
ixpk= 98, nxpk= 0, iat= 293, 298, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 1153 PRO HB3 1154 VAL H 5.016 (#peak 101 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 101, nxpk= 0, iat=1005,1011, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 1162 GLN HG3 1163 ALA H 4.587 (#peak 103 #SUP 1 #QF 0.53
)
&rst
ixpk= 103, nxpk= 0, iat=1156,1165, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 1160 GLN H 1162 GLN HG3 4.895 (#peak 104 #SUP 0.5 #QF 0.5
)
&rst
ixpk= 104, nxpk= 0, iat=1112,1156, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 1119 PRO HG2 1120 SER H 4.488 (#peak 106 #SUP 0.98 #QF 0.97
)
&rst
ixpk= 106, nxpk= 0, iat= 458, 468, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 1139 ASP HB2 1143 ARG H 4.51 (#peak 112 #SUP 0.22 #QF 0.22
)
&rst
ixpk= 112, nxpk= 0, iat= 773, 829, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 1160 GLN HB2 1161 ILE H 4.444 (#peak 114 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 114, nxpk= 0, iat=1116,1129, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 1164 TRP HE3 1165 MET HG2 4.686 (#peak 115 #SUP 0.99 #QF 0.97
)
&rst
ixpk= 115, nxpk= 0, iat=1194,1206, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 1152 GLU QG 1154 VAL H 5.104 (#peak 117 #SUP 0.79 #QF 0.79
)
&rst
ixpk= 117, nxpk= 0, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 989, 990,
&end
#
# 1106 PRO HB3 1141 PHE HZ 5.907 (#peak 121 #SUP 0.76 #QF 0.38
)
&rst
ixpk= 121, nxpk= 0, iat= 251, 807, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 1157 LEU H 1160 GLN HB2 6.05 (#peak 121 #SUP 0.76 #QF 0.38
)
&rst
ixpk= 121, nxpk= 0, iat=1056,1116, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1096 TYR QE 1165 MET HG2 4.741 (#peak 122 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 122, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 102, 107,
&end
#
# 1112 MET HG3 1113 THR H 5.038 (#peak 128 #SUP 0.96 #QF 0.35
)
&rst
ixpk= 128, nxpk= 0, iat= 346, 355, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 1160 GLN H 1160 GLN HB3 4.092 (#peak 129 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 129, nxpk= 0, iat=1112,1117, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 1103 PHE HZ 1160 GLN HB3 4.224 (#peak 130 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 130, nxpk= 0, iat= 199,1117, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 1102 GLU QG 1103 PHE QE 4.576 (#peak 131 #SUP 0.99 #QF 0.6
)
&rst
ixpk= 131, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 179, 180,
igr2= 197, 201,
&end
#
# 1103 PHE QE 1160 GLN HB3 5.115 (#peak 131 #SUP 0.99 #QF 0.6
)
&rst
ixpk= 131, nxpk= 0, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 197, 201,
&end
#
# 1102 GLU QG 1103 PHE H 4.609 (#peak 132 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 132, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 179, 180,
&end
#
# 1128 ILE HB 1141 PHE QE 5.159 (#peak 133 #SUP 0.58 #QF 0.58
)
&rst
ixpk= 133, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 805, 809,
&end
#
# 1102 GLU QG 1103 PHE QD 4.664 (#peak 136 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 136, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 179, 180,
igr2= 195, 203,
&end
#
# 1125 ASP H 1128 ILE HB 4.642 (#peak 138 #SUP 0.57 #QF 0.57
)
&rst
ixpk= 138, nxpk= 0, iat= 533, 584, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 1158 LYS HB3 1159 GLU H 4.411 (#peak 141 #SUP 1 #QF 0.57
)
&rst
ixpk= 141, nxpk= 0, iat=1080,1097, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 1165 MET QB 1166 ARG H 4.356 (#peak 142 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 142, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1203,1204,
&end
#
# 1158 LYS HB3 1160 GLN H 5.5 (#peak 144 #SUP 0.97 #QF 0.51
)
&rst
ixpk= 144, nxpk= 0, iat=1080,1112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 1164 TRP HE3 1165 MET QB 5.753 (#peak 144 #SUP 0.97 #QF 0.51
)
&rst
ixpk= 144, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1203,1204,
&end
#
# 1106 PRO QG 1141 PHE QE 4.312 (#peak 146 #SUP 0.38 #QF 0.38
)
&rst
ixpk= 146, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 247, 248,
igr2= 805, 809,
&end
#
# 1096 TYR QD 1165 MET QB 5.885 (#peak 147 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 147, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 100, 109,
igr2=1203,1204,
&end
#
# 1106 PRO QG 1141 PHE HZ 4.411 (#peak 148 #SUP 0.79 #QF 0.42
)
&rst
ixpk= 148, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 247, 248,
&end
#
# 1096 TYR QE 1165 MET QB 4.719 (#peak 149 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 149, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 102, 107,
igr2=1203,1204,
&end
#
# 1150 MET H 1150 MET HB3 4.334 (#peak 151 #SUP 1
)
&rst
ixpk= 151, nxpk= 0, iat= 946, 951, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 1152 GLU H 1152 GLU HB3 4.312 (#peak 153 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 153, nxpk= 0, iat= 982, 987, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 1154 VAL H 1154 VAL HB 4.158 (#peak 154 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 154, nxpk= 0, iat=1011,1015, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 1144 GLN QB 1145 MET H 3.718 (#peak 156 #SUP 0.91 #QF 0.8
)
&rst
ixpk= 156, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 857, 858,
&end
#
# 1107 LEU HB2 1141 PHE HZ 5.115 (#peak 160 #SUP 1 #QF 0.58
)
&rst
ixpk= 160, nxpk= 0, iat= 261, 807, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 1107 LEU HB2 1108 MET H 4.224 (#peak 161 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 161, nxpk= 0, iat= 261, 276, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 1167 GLU QB 1168 LYS H 3.872 (#peak 174 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 174, nxpk= 0, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1244,1245,
&end
#
# 1100 PRO HD3 1164 TRP HZ2 4.873 (#peak 179 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 179, nxpk= 0, iat= 148,1188, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 1102 GLU HB2 1103 PHE QE 6.05 (#peak 181 #SUP 0.95 #QF 0.64
)
&rst
ixpk= 181, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 197, 201,
&end
#
# 1102 GLU HB2 1103 PHE QD 4.29 (#peak 182 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 182, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 195, 203,
&end
#
# 1102 GLU H 1102 GLU HB3 4.554 (#peak 183 #SUP 0.78 #QF 0.63
)
&rst
ixpk= 183, nxpk= 0, iat= 172, 177, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 1102 GLU HB3 1103 PHE H 5.049 (#peak 188 #SUP 0.82 #QF 0.82
)
&rst
ixpk= 188, nxpk= 0, iat= 177, 187, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 1108 MET H 1108 MET HB3 4.455 (#peak 191 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 191, nxpk= 0, iat= 276, 281, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 1166 ARG QB 1167 GLU H 4.367 (#peak 194 #SUP 0.65 #QF 0.65
)
&rst
ixpk= 194, nxpk= 0, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1220,1221,
&end
#
# 1133 LEU H 1133 LEU HB2 4.048 (#peak 197 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 197, nxpk= 0, iat= 678, 682, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 1153 PRO HB2 1154 VAL H 4.686 (#peak 198 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 198, nxpk= 0, iat=1004,1011, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 1093 GLU HB3 1094 ILE H 4.367 (#peak 200 #SUP 0.62 #QF 0.62
)
&rst
ixpk= 200, nxpk= 0, iat= 51, 61, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 1130 LEU H 1130 LEU HG 3.872 (#peak 204 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 204, nxpk= 0, iat= 618, 625, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 1106 PRO HB2 1141 PHE QE 4.323 (#peak 207 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 207, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 805, 809,
&end
#
# 1100 PRO HB3 1102 GLU H 4.664 (#peak 219 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 219, nxpk= 0, iat= 154, 172, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 1103 PHE H 1112 MET QE 4.741 (#peak 222 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 222, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 349, 350, 351,
&end
#
# 1103 PHE QD 1112 MET QE 4.323 (#peak 224 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 224, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 195, 203,
igr2= 349, 350, 351,
&end
#
# 1134 LEU HB2 1135 ASN H 4.554 (#peak 227 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 227, nxpk= 0, iat= 701, 716, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 1117 ARG H 1117 ARG HB3 3.905 (#peak 229 #SUP 0.96 #QF 0.26
)
&rst
ixpk= 229, nxpk= 0, iat= 411, 416, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 1117 ARG HB3 1118 LEU H 4.73 (#peak 231 #SUP 0.8 #QF 0.8
)
&rst
ixpk= 231, nxpk= 0, iat= 416, 435, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 1115 PRO QG 1158 LYS H 4.444 (#peak 245 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 245, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 385, 386,
&end
#
# 1168 LYS HB3 1169 GLN H 4.499 (#peak 246 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 246, nxpk= 0, iat=1260,1277, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 1094 ILE HB 1096 TYR QE 4.345 (#peak 249 #SUP 1 #QF 0.99
)
&rst
ixpk= 249, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 102, 107,
&end
#
# 1096 TYR QE 1168 LYS HB3 4.741 (#peak 249 #SUP 1 #QF 0.99
)
&rst
ixpk= 249, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 102, 107,
&end
#
# 1096 TYR QE 1168 LYS HB2 4.631 (#peak 255 #SUP 0.51 #QF 0.51
)
&rst
ixpk= 255, nxpk= 0, iat= -1,1259, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 102, 107,
&end
#
# 1107 LEU HB3 1141 PHE HZ 5.115 (#peak 257 #SUP 0.99 #QF 0.88
)
&rst
ixpk= 257, nxpk= 0, iat= 262, 807, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 1164 TRP HZ2 1168 LYS QD 4.444 (#peak 270 #SUP 1
)
&rst
ixpk= 270, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1265,1266,
&end
#
# 1139 ASP H 1146 LEU QD2 5.786 (#peak 275 #SUP 0.99 #QF 0.98
)
&rst
ixpk= 275, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr2= 900, 901, 902,
&end
#
# 1146 LEU QD1 1150 MET H 5.489 (#peak 280 #SUP 0.88 #QF 0.31
)
&rst
ixpk= 280, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 896, 897, 898,
&end
#
# 1147 THR QG2 1150 MET H 5.511 (#peak 280 #SUP 0.88 #QF 0.31
)
&rst
ixpk= 280, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 912, 913, 914,
&end
#
# 1128 ILE H 1129 ILE QG2 4.598 (#peak 282 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 282, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 605, 606, 607,
&end
#
# 1129 ILE QD1 1133 LEU H 5.016 (#peak 284 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 284, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 612, 613, 614,
&end
#
# 1140 PRO HG2 1141 PHE QD 4.488 (#peak 287 #SUP 0.99 #QF 0.31
)
&rst
ixpk= 287, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 803, 811,
&end
#
# 1099 ALA QB 1103 PHE QD 3.806 (#peak 292 #SUP 0.82 #QF 0.71
)
&rst
ixpk= 292, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 140, 141, 142,
igr2= 195, 203,
&end
#
# 1128 ILE QG2 1129 ILE H 4.334 (#peak 296 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 296, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 586, 587, 588,
&end
#
# 1099 ALA QB 1164 TRP HE3 4.532 (#peak 299 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 299, nxpk= 0, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 140, 141, 142,
&end
#
# 1099 ALA QB 1164 TRP HZ2 4.697 (#peak 301 #SUP 1 #QF 0.99
)
&rst
ixpk= 301, nxpk= 0, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 140, 141, 142,
&end
#
# 1154 VAL H 1154 VAL QG1 4.862 (#peak 301 #SUP 1 #QF 0.99
)
&rst
ixpk= 301, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1017,1018,1019,
&end
#
# 1099 ALA QB 1164 TRP HH2 4.015 (#peak 302 #SUP 1 #QF 0.99
)
&rst
ixpk= 302, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 140, 141, 142,
&end
#
# 1128 ILE QG2 1141 PHE QE 4.62 (#peak 302 #SUP 1 #QF 0.99
)
&rst
ixpk= 302, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 586, 587, 588,
igr2= 805, 809,
&end
#
# 1096 TYR QD 1099 ALA QB 4.257 (#peak 304 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 304, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 100, 109,
igr2= 140, 141, 142,
&end
#
# 1151 LEU H 1151 LEU HB3 4.422 (#peak 310 #SUP 0.8 #QF 0.8
)
&rst
ixpk= 310, nxpk= 0, iat= 963, 968, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 1150 MET H 1151 LEU HG 4.246 (#peak 315 #SUP 0.57 #QF 0.57
)
&rst
ixpk= 315, nxpk= 0, iat= 946, 970, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 1160 GLN H 1161 ILE HG13 5.632 (#peak 316 #SUP 0.89 #QF 0.4
)
&rst
ixpk= 316, nxpk= 0, iat=1112,1140, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 1140 PRO HB2 1141 PHE QE 3.729 (#peak 318 #SUP 0.76 #QF 0.76
)
&rst
ixpk= 318, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 805, 809,
&end
#
# 1140 PRO HB2 1141 PHE QD 4.565 (#peak 319 #SUP 0.94 #QF 0.62
)
&rst
ixpk= 319, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 803, 811,
&end
#
# 1111 LEU QD2 1164 TRP HZ3 4.873 (#peak 320 #SUP 0.26 #QF 0.26
)
&rst
ixpk= 320, nxpk= 0, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 332, 333, 334,
&end
#
# 1103 PHE QE 1161 ILE HG13 4.532 (#peak 321 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 321, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 197, 201,
&end
#
# 1103 PHE QD 1161 ILE HG13 4.917 (#peak 323 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 323, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 195, 203,
&end
#
# 1116 VAL H 1123 VAL QG1 4.873 (#peak 325 #SUP 0.94 #QF 0.9
)
&rst
ixpk= 325, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 506, 507, 508,
&end
#
# 1149 SER H 1151 LEU HG 5.654 (#peak 327 #SUP 0.95 #QF 0.33
)
&rst
ixpk= 327, nxpk= 0, iat= 935, 970, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 1128 ILE QD1 1141 PHE QE 5.324 (#peak 334 #SUP 0.63 #QF 0.4
)
&rst
ixpk= 334, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 593, 594, 595,
igr2= 805, 809,
&end
#
# 1164 TRP HH2 1168 LYS HG2 6.05 (#peak 334 #SUP 0.63 #QF 0.4
)
&rst
ixpk= 334, nxpk= 0, iat=1190,1262, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1096 TYR QD 1168 LYS HG2 4.477 (#peak 335 #SUP 0.42 #QF 0.42
)
&rst
ixpk= 335, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 100, 109,
&end
#
# 1128 ILE H 1128 ILE QD1 4.169 (#peak 336 #SUP 0.2 #QF 0.2
)
&rst
ixpk= 336, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 593, 594, 595,
&end
#
# 1103 PHE QD 1111 LEU QD2 4.29 (#peak 337 #SUP 0.99 #QF 0.94
)
&rst
ixpk= 337, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 195, 203,
igr2= 332, 333, 334,
&end
#
# 1103 PHE QD 1161 ILE QG2 4.62 (#peak 337 #SUP 0.99 #QF 0.94
)
&rst
ixpk= 337, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 195, 203,
igr2=1135,1136,1137,
&end
#
# 1107 LEU H 1128 ILE QD1 5.61 (#peak 340 #SUP 0.99 #QF 0.97
)
&rst
ixpk= 340, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 593, 594, 595,
&end
#
# 1127 SER H 1130 LEU QD2 5.203 (#peak 341 #SUP 0.97 #QF 0.41
)
&rst
ixpk= 341, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2= 631, 632, 633,
&end
#
# 1161 ILE QG2 1162 GLN H 3.949 (#peak 342 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 342, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1135,1136,1137,
&end
#
# 1161 ILE QG2 1164 TRP HE3 4.532 (#peak 343 #SUP 0.98 #QF 0.74
)
&rst
ixpk= 343, nxpk= 0, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1135,1136,1137,
&end
#
# 1104 ARG QG 1110 THR H 4.752 (#peak 347 #SUP 0.99 #QF 0.75
)
&rst
ixpk= 347, nxpk= 0, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 214, 215,
&end
#
# 1103 PHE QE 1161 ILE QG2 5.104 (#peak 347 #SUP 0.99 #QF 0.75
)
&rst
ixpk= 347, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 197, 201,
igr2=1135,1136,1137,
&end
#
# 1151 LEU H 1151 LEU QD2 4.169 (#peak 349 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 349, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 976, 977, 978,
&end
#
# 1164 TRP HE3 1168 LYS HG2 4.708 (#peak 354 #SUP 0.67 #QF 0.67
)
&rst
ixpk= 354, nxpk= 0, iat=1194,1262, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 1130 LEU QD1 1131 ARG H 5.522 (#peak 355 #SUP 1 #QF 0.96
)
&rst
ixpk= 355, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 627, 628, 629,
&end
#
# 1130 LEU QD2 1131 ARG H 6.05 (#peak 355 #SUP 1 #QF 0.96
)
&rst
ixpk= 355, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 631, 632, 633,
&end
#
# 1123 VAL H 1123 VAL QG2 4.554 (#peak 363 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 363, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 510, 511, 512,
&end
#
# 1111 LEU H 1111 LEU HG 4.664 (#peak 366 #SUP 0.55 #QF 0.55
)
&rst
ixpk= 366, nxpk= 0, iat= 319, 326, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 1094 ILE H 1094 ILE QD1 4.708 (#peak 367 #SUP 1
)
&rst
ixpk= 367, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 74, 75, 76,
&end
#
# 1111 LEU HG 1164 TRP HZ3 4.323 (#peak 370 #SUP 0.54 #QF 0.54
)
&rst
ixpk= 370, nxpk= 0, iat= 326,1192, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 1133 LEU QD2 1148 GLU H 5.39 (#peak 372 #SUP 0.9 #QF 0.84
)
&rst
ixpk= 372, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 691, 692, 693,
&end
#
# 1140 PRO HG3 1141 PHE QD 5.093 (#peak 377 #SUP 0.93 #QF 0.81
)
&rst
ixpk= 377, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 803, 811,
&end
#
# 1107 LEU QD2 1141 PHE HZ 4.642 (#peak 378 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 378, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 270, 271, 272,
&end
#
# 1100 PRO HG3 1103 PHE QE 4.851 (#peak 380 #SUP 0.91 #QF 0.84
)
&rst
ixpk= 380, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 197, 201,
&end
#
# 1100 PRO HG3 1103 PHE QD 4.158 (#peak 381 #SUP 0.78 #QF 0.78
)
&rst
ixpk= 381, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 195, 203,
&end
#
# 1094 ILE QG2 1096 TYR QD 4.565 (#peak 384 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 384, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 67, 68, 69,
igr2= 100, 109,
&end
#
# 1094 ILE QG2 1096 TYR QE 4.114 (#peak 385 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 385, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 67, 68, 69,
igr2= 102, 107,
&end
#
# 1096 TYR H 1096 TYR QD 4.367 (#peak 408 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 408, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 100, 109,
&end
#
# 1141 PHE H 1141 PHE QD 4.125 (#peak 428 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 428, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr2= 803, 811,
&end
#
# 1164 TRP HE3 1165 MET H 4.268 (#peak 431 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 431, nxpk= 0, iat=1194,1199, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 1141 PHE QE 1141 PHE HZ 2.673 (#peak 456 #SUP 0.61 #QF 0.61
)
&rst
ixpk= 456, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 805, 809,
&end
#
# 1141 PHE QD 1141 PHE HZ 4.345 (#peak 457 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 457, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 803, 811,
&end
#
# 1099 ALA H 1164 TRP HH2 4.466 (#peak 459 #SUP 0.97 #QF 0.95
)
&rst
ixpk= 459, nxpk= 0, iat= 136,1190, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 1096 TYR QD 1164 TRP HH2 4.147 (#peak 467 #SUP 1
)
&rst
ixpk= 467, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 100, 109,
&end
#
# 1134 LEU H 1135 ASN H 3.872 (#peak 473 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 473, nxpk= 0, iat= 697, 716, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 1103 PHE QD 1164 TRP HE3 4.477 (#peak 474 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 474, nxpk= 0, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 195, 203,
&end
#
# 1096 TYR QD 1164 TRP HZ3 3.773 (#peak 477 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 477, nxpk= 0, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 100, 109,
&end
#
# 1103 PHE QD 1103 PHE HZ 4.235 (#peak 479 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 479, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 195, 203,
&end
#
# 1105 ASP HA 1106 PRO QG 4.961 (#peak 495 #SUP 0.9 #QF 0.59
)
&rst
ixpk= 495, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 247, 248,
&end
#
# 1115 PRO HB2 1116 VAL HA 5.599 (#peak 495 #SUP 0.9 #QF 0.59
)
&rst
ixpk= 495, nxpk= 0, iat= 388, 397, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 1123 VAL HA 1123 VAL QG2 4.048 (#peak 499 #SUP 0.91 #QF 0.61
)
&rst
ixpk= 499, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 510, 511, 512,
&end
#
# 1105 ASP HA 1124 MET QG 6.05 (#peak 502 #SUP 0.96 #QF 0.53
)
&rst
ixpk= 502, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 523, 524,
&end
#
# 1112 MET HG3 1114 ASP HA 6.05 (#peak 502 #SUP 0.96 #QF 0.53
)
&rst
ixpk= 502, nxpk= 0, iat= 346, 371, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1124 MET HA 1124 MET QG 4.62 (#peak 508 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 508, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 523, 524,
&end
#
# 1106 PRO QG 1124 MET HA 6.05 (#peak 509 #SUP 0.64 #QF 0.36
)
&rst
ixpk= 509, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 247, 248,
&end
#
# 1124 MET HA 1128 ILE HB 6.05 (#peak 509 #SUP 0.64 #QF 0.36
)
&rst
ixpk= 509, nxpk= 0, iat= 518, 584, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1117 ARG HA 1154 VAL QG2 5.698 (#peak 513 #SUP 0.96 #QF 0.6
)
&rst
ixpk= 513, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr2=1021,1022,1023,
&end
#
# 1146 LEU HA 1146 LEU QD2 3.432 (#peak 518 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 518, nxpk= 0, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 900, 901, 902,
&end
#
# 1108 MET HA 1108 MET QG 4.466 (#peak 526 #SUP 0.59 #QF 0.59
)
&rst
ixpk= 526, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 283, 284,
&end
#
# 1103 PHE HA 1112 MET QE 3.938 (#peak 527 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 527, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 349, 350, 351,
&end
#
# 1147 THR HA 1147 THR QG2 3.718 (#peak 528 #SUP 0.93 #QF 0.68
)
&rst
ixpk= 528, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 912, 913, 914,
&end
#
# 1133 LEU QD1 1147 THR HA 4.543 (#peak 529 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 529, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 687, 688, 689,
&end
#
# 1133 LEU QD2 1147 THR HA 4.543 (#peak 531 #SUP 0.78 #QF 0.78
)
&rst
ixpk= 531, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 691, 692, 693,
&end
#
# 1107 LEU HA 1107 LEU QD2 3.971 (#peak 534 #SUP 0.97 #QF 0.94
)
&rst
ixpk= 534, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 270, 271, 272,
&end
#
# 1104 ARG HB3 1109 ASP HA 4.576 (#peak 541 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 541, nxpk= 0, iat= 212, 295, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 1154 VAL HA 1154 VAL QG1 3.674 (#peak 542 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 542, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1017,1018,1019,
&end
#
# 1154 VAL HA 1154 VAL QG2 3.674 (#peak 543 #SUP 0.98 #QF 0.22
)
&rst
ixpk= 543, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1021,1022,1023,
&end
#
# 1116 VAL QG2 1153 PRO HA 3.96 (#peak 544 #SUP 0.53 #QF 0.53
)
&rst
ixpk= 544, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 405, 406, 407,
&end
#
# 1133 LEU HA 1133 LEU HG 4.653 (#peak 548 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 548, nxpk= 0, iat= 680, 685, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 1133 LEU HA 1133 LEU QD2 4.62 (#peak 552 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 552, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 691, 692, 693,
&end
#
# 1133 LEU HA 1135 ASN QB 5.841 (#peak 555 #SUP 0.29 #QF 0.29
)
&rst
ixpk= 555, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 720, 721,
&end
#
# 1129 ILE HA 1129 ILE QD1 3.377 (#peak 559 #SUP 0.99 #QF 0.97
)
&rst
ixpk= 559, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 612, 613, 614,
&end
#
# 1117 ARG HB3 1118 LEU HA 5.533 (#peak 567 #SUP 0.65 #QF 0.65
)
&rst
ixpk= 567, nxpk= 0, iat= 416, 437, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 1118 LEU HA 1151 LEU QD2 4.158 (#peak 570 #SUP 0.54 #QF 0.54
)
&rst
ixpk= 570, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 976, 977, 978,
&end
#
# 1113 THR HA 1113 THR QG2 3.432 (#peak 574 #SUP 0.93 #QF 0.71
)
&rst
ixpk= 574, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 361, 362, 363,
&end
#
# 1104 ARG QG 1110 THR HA 4.785 (#peak 575 #SUP 0.92 #QF 0.7
)
&rst
ixpk= 575, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 214, 215,
&end
#
# 1113 THR HA 1161 ILE QG2 5.038 (#peak 575 #SUP 0.92 #QF 0.7
)
&rst
ixpk= 575, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1135,1136,1137,
&end
#
# 1157 LEU HA 1160 GLN HB2 4.488 (#peak 577 #SUP 0.97 #QF 0.48
)
&rst
ixpk= 577, nxpk= 0, iat=1058,1116, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 1112 MET HG3 1113 THR HA 5.247 (#peak 578 #SUP 0.97 #QF 0.35
)
&rst
ixpk= 578, nxpk= 0, iat= 346, 357, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 1104 ARG HB3 1110 THR HA 4.862 (#peak 584 #SUP 0.61 #QF 0.51
)
&rst
ixpk= 584, nxpk= 0, iat= 212, 307, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 1157 LEU HA 1157 LEU HG 4.136 (#peak 586 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 586, nxpk= 0, iat=1058,1063, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 1150 MET HA 1150 MET QG 4.235 (#peak 589 #SUP 0.99 #QF 0.79
)
&rst
ixpk= 589, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 953, 954,
&end
#
# 1116 VAL HB 1151 LEU HA 5.797 (#peak 594 #SUP 0.93 #QF 0.49
)
&rst
ixpk= 594, nxpk= 0, iat= 399, 965, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 1117 ARG HB3 1151 LEU HA 6.05 (#peak 594 #SUP 0.93 #QF 0.49
)
&rst
ixpk= 594, nxpk= 0, iat= 416, 965, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1138 THR QG2 1144 GLN HA 4.829 (#peak 597 #SUP 0.98 #QF 0.38
)
&rst
ixpk= 597, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 761, 762, 763,
&end
#
# 1155 PRO HA 1158 LYS HB3 4.158 (#peak 600 #SUP 0.6 #QF 0.6
)
&rst
ixpk= 600, nxpk= 0, iat=1037,1080, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 1155 PRO HA 1158 LYS HB2 4.433 (#peak 602 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 602, nxpk= 0, iat=1037,1079, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 1144 GLN HA 1144 GLN HG2 4.576 (#peak 603 #SUP 0.58 #QF 0.58
)
&rst
ixpk= 603, nxpk= 0, iat= 855, 860, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 1105 ASP QB 1106 PRO HD2 4.763 (#peak 606 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 606, nxpk= 0, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 235, 236,
&end
#
# 1111 LEU QD2 1112 MET HA 5.225 (#peak 609 #SUP 0.47 #QF 0.26
)
&rst
ixpk= 609, nxpk= 0, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 332, 333, 334,
&end
#
# 1111 LEU QD2 1113 THR HB 5.467 (#peak 609 #SUP 0.47 #QF 0.26
)
&rst
ixpk= 609, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 332, 333, 334,
&end
#
# 1112 MET HB2 1125 ASP HA 5.06 (#peak 614 #SUP 1 #QF 0.98
)
&rst
ixpk= 614, nxpk= 0, iat= 342, 535, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 1169 GLN HA 1169 GLN QG 4.202 (#peak 617 #SUP 0.66 #QF 0.66
)
&rst
ixpk= 617, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1284,1285,
&end
#
# 1094 ILE QD1 1169 GLN HA 4.323 (#peak 621 #SUP 0.76 #QF 0.76
)
&rst
ixpk= 621, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 74, 75, 76,
&end
#
# 1102 GLU HA 1112 MET QE 4.884 (#peak 624 #SUP 0.77 #QF 0.77
)
&rst
ixpk= 624, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 349, 350, 351,
&end
#
# 1129 ILE QG2 1130 LEU HA 4.378 (#peak 635 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 635, nxpk= 0, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 605, 606, 607,
&end
#
# 1099 ALA QB 1100 PRO HA 5.764 (#peak 636 #SUP 0.99 #QF 0.95
)
&rst
ixpk= 636, nxpk= 0, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 140, 141, 142,
&end
#
# 1130 LEU HA 1133 LEU QD1 6.05 (#peak 636 #SUP 0.99 #QF 0.95
)
&rst
ixpk= 636, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 687, 688, 689,
&end
#
# 1104 ARG QG 1111 LEU HA 3.971 (#peak 637 #SUP 0.99 #QF 0.67
)
&rst
ixpk= 637, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 214, 215,
&end
#
# 1130 LEU HA 1133 LEU HB3 4.774 (#peak 639 #SUP 0.96 #QF 0.94
)
&rst
ixpk= 639, nxpk= 0, iat= 620, 683, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 1130 LEU HA 1133 LEU QD2 6.05 (#peak 643 #SUP 0.99 #QF 0.97
)
&rst
ixpk= 643, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 691, 692, 693,
&end
#
# 1159 GLU HA 1162 GLN HG3 4.686 (#peak 644 #SUP 0.3 #QF 0.3
)
&rst
ixpk= 644, nxpk= 0, iat=1099,1156, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 1126 ARG HB3 1127 SER HA 5.401 (#peak 656 #SUP 0.55 #QF 0.22
)
&rst
ixpk= 656, nxpk= 0, iat= 550, 571, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 1127 SER HA 1130 LEU HG 5.577 (#peak 656 #SUP 0.55 #QF 0.22
)
&rst
ixpk= 656, nxpk= 0, iat= 571, 625, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 1127 SER HA 1130 LEU HB3 4.367 (#peak 657 #SUP 0.68 #QF 0.68
)
&rst
ixpk= 657, nxpk= 0, iat= 571, 623, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 1127 SER HA 1130 LEU QD2 3.927 (#peak 659 #SUP 0.57 #QF 0.57
)
&rst
ixpk= 659, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 631, 632, 633,
&end
#
# 1118 LEU HB3 1119 PRO HD2 4.51 (#peak 662 #SUP 0.97 #QF 0.94
)
&rst
ixpk= 662, nxpk= 0, iat= 440, 455, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 1161 ILE HB 1162 GLN HA 4.917 (#peak 666 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 666, nxpk= 0, iat=1133,1150, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 1101 ASP HA 1104 ARG HB3 5.896 (#peak 667 #SUP 0.74 #QF 0.26
)
&rst
ixpk= 667, nxpk= 0, iat= 162, 212, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 1101 ASP HA 1104 ARG HB2 4.719 (#peak 671 #SUP 0.22 #QF 0.22
)
&rst
ixpk= 671, nxpk= 0, iat= 162, 211, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 1118 LEU HB2 1120 SER QB 5.335 (#peak 672 #SUP 0.94 #QF 0.88
)
&rst
ixpk= 672, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 472, 473,
&end
#
# 1119 PRO HD2 1146 LEU QD2 3.861 (#peak 674 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 674, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 900, 901, 902,
&end
#
# 1154 VAL QG1 1155 PRO HD2 5.148 (#peak 675 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 675, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1017,1018,1019,
&end
#
# 1154 VAL QG2 1155 PRO HD2 5.148 (#peak 676 #SUP 0.72 #QF 0.53
)
&rst
ixpk= 676, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1021,1022,1023,
&end
#
# 1138 THR QG2 1143 ARG HA 4.312 (#peak 677 #SUP 0.98 #QF 0.91
)
&rst
ixpk= 677, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 761, 762, 763,
&end
#
# 1122 THR HA 1123 VAL HB 5.181 (#peak 683 #SUP 0.79 #QF 0.79
)
&rst
ixpk= 683, nxpk= 0, iat= 488, 504, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 1122 THR HA 1122 THR QG2 3.476 (#peak 684 #SUP 0.79 #QF 0.79
)
&rst
ixpk= 684, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 492, 493, 494,
&end
#
# 1127 SER QB 1130 LEU QD2 4.939 (#peak 700 #SUP 0.49 #QF 0.49
)
&rst
ixpk= 700, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 573, 574,
igr2= 631, 632, 633,
&end
#
# 1128 ILE HA 1128 ILE HG12 4.4 (#peak 701 #SUP 0.98 #QF 0.97
)
&rst
ixpk= 701, nxpk= 0, iat= 582, 590, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 1128 ILE HA 1128 ILE HG13 4.4 (#peak 702 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 702, nxpk= 0, iat= 582, 591, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 1161 ILE QG2 1164 TRP HB3 5.148 (#peak 703 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 703, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1135,1136,1137,
&end
#
# 1138 THR HB 1143 ARG QG 5.335 (#peak 706 #SUP 1 #QF 0.98
)
&rst
ixpk= 706, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 836, 837,
&end
#
# 1126 ARG HA 1126 ARG HG3 4.653 (#peak 707 #SUP 1
)
&rst
ixpk= 707, nxpk= 0, iat= 547, 553, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 1148 GLU HA 1151 LEU QD1 3.905 (#peak 709 #SUP 0.96 #QF 0.92
)
&rst
ixpk= 709, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 972, 973, 974,
&end
#
# 1148 GLU HA 1151 LEU HB3 6.05 (#peak 718 #SUP 0.99 #QF 0.92
)
&rst
ixpk= 718, nxpk= 0, iat= 922, 968, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1096 TYR HB3 1111 LEU HG 4.532 (#peak 722 #SUP 0.6 #QF 0.6
)
&rst
ixpk= 722, nxpk= 0, iat= 97, 326, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 1119 PRO HD3 1146 LEU QD2 3.861 (#peak 723 #SUP 0.5 #QF 0.5
)
&rst
ixpk= 723, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 900, 901, 902,
&end
#
# 1118 LEU HB3 1119 PRO HD3 4.51 (#peak 725 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 725, nxpk= 0, iat= 440, 456, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 1112 MET HG3 1115 PRO HD2 4.95 (#peak 726 #SUP 1
)
&rst
ixpk= 726, nxpk= 0, iat= 346, 382, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 1115 PRO HD2 1158 LYS HB2 4.488 (#peak 729 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 729, nxpk= 0, iat= 382,1079, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 1115 PRO HD2 1158 LYS HG2 5.258 (#peak 732 #SUP 0.65 #QF 0.65
)
&rst
ixpk= 732, nxpk= 0, iat= 382,1082, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 1158 LYS HA 1161 ILE QG2 5.159 (#peak 747 #SUP 0.82 #QF 0.82
)
&rst
ixpk= 747, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1135,1136,1137,
&end
#
# 1153 PRO HB2 1155 PRO HD3 5.115 (#peak 756 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 756, nxpk= 0, iat=1004,1029, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 1099 ALA QB 1103 PHE HB3 4.653 (#peak 757 #SUP 0.94 #QF 0.9
)
&rst
ixpk= 757, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 140, 141, 142,
&end
#
# 1103 PHE HB3 1104 ARG QG 4.576 (#peak 761 #SUP 0.99 #QF 0.45
)
&rst
ixpk= 761, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 214, 215,
&end
#
# 1126 ARG HD2 1130 LEU QD2 4.367 (#peak 763 #SUP 0.8 #QF 0.8
)
&rst
ixpk= 763, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 631, 632, 633,
&end
#
# 1112 MET HB2 1115 PRO HD3 4.664 (#peak 785 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 785, nxpk= 0, iat= 342, 383, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 1126 ARG HD3 1130 LEU QD2 4.367 (#peak 795 #SUP 0.72 #QF 0.72
)
&rst
ixpk= 795, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 631, 632, 633,
&end
#
# 1100 PRO HD2 1102 GLU QG 4.939 (#peak 802 #SUP 0.71 #QF 0.71
)
&rst
ixpk= 802, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 179, 180,
&end
#
# 1161 ILE QG2 1165 MET HG3 4.081 (#peak 805 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 805, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1135,1136,1137,
&end
#
# 1114 ASP HA 1115 PRO HD3 3.982 (#peak 813 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 813, nxpk= 0, iat= 371, 383, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 1154 VAL HA 1155 PRO HD3 3.905 (#peak 818 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 818, nxpk= 0, iat=1013,1029, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 1139 ASP HA 1140 PRO HD2 3.872 (#peak 822 #SUP 0.98 #QF 0.79
)
&rst
ixpk= 822, nxpk= 0, iat= 771, 782, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 1099 ALA HA 1100 PRO HD2 3.696 (#peak 829 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 829, nxpk= 0, iat= 138, 147, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 1161 ILE HA 1164 TRP HB3 4.4 (#peak 830 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 830, nxpk= 0, iat=1131,1180, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 1165 MET HA 1165 MET HG3 4.334 (#peak 833 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 833, nxpk= 0, iat=1201,1207, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 1161 ILE HA 1164 TRP HB2 4.554 (#peak 834 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 834, nxpk= 0, iat=1131,1179, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 1139 ASP HA 1140 PRO HD3 3.828 (#peak 838 #SUP 0.99 #QF 0.87
)
&rst
ixpk= 838, nxpk= 0, iat= 771, 783, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 1161 ILE QG2 1161 ILE HG12 4.147 (#peak 846 #SUP 0.82 #QF 0.34
)
&rst
ixpk= 846, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1135,1136,1137,
&end
#
# 1124 MET HB2 1124 MET QE 3.674 (#peak 889 #SUP 0.91 #QF 0.38
)
&rst
ixpk= 889, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 527, 528, 529,
&end
#
# 1099 ALA QB 1100 PRO HG3 5.181 (#peak 914 #SUP 0.65 #QF 0.52
)
&rst
ixpk= 914, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 140, 141, 142,
&end
#
# 1161 ILE QG2 1162 GLN HA 3.74 (#peak 946 #SUP 0.65 #QF 0.65
)
&rst
ixpk= 946, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1135,1136,1137,
&end
#
# 1130 LEU QD1 1131 ARG HA 4.312 (#peak 947 #SUP 1 #QF 0.9
)
&rst
ixpk= 947, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 627, 628, 629,
&end
#
# 1161 ILE HA 1161 ILE QG2 3.696 (#peak 948 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 948, nxpk= 0, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1135,1136,1137,
&end
#
# 1124 MET QG 1140 PRO HG2 3.993 (#peak 950 #SUP 0.2 #QF 0.2
)
&rst
ixpk= 950, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 523, 524,
&end
#
# 1105 ASP QB 1108 MET HB2 3.641 (#peak 974 #SUP 0.7 #QF 0.7
)
&rst
ixpk= 974, nxpk= 0, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 235, 236,
&end
#
# 1096 TYR HA 1164 TRP HH2 4.268 (#peak 1011 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 1011, nxpk= 0, iat= 94,1190, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 1096 TYR HA 1096 TYR QD 3.707 (#peak 1012 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 1012, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 100, 109,
&end
#
# 1117 ARG HA 1124 MET H 5.016 (#peak 1016 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 1016, nxpk= 0, iat= 413, 516, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 1103 PHE HA 1103 PHE QD 3.707 (#peak 1024 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1024, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 195, 203,
&end
#
# 1107 LEU HA 1141 PHE HZ 4.334 (#peak 1026 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 1026, nxpk= 0, iat= 259, 807, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 1133 LEU HA 1136 SER H 4.664 (#peak 1035 #SUP 1 #QF 0.81
)
&rst
ixpk= 1035, nxpk= 0, iat= 680, 730, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 1095 ASP HA 1096 TYR QD 5.324 (#peak 1039 #SUP 0.61 #QF 0.61
)
&rst
ixpk= 1039, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 100, 109,
&end
#
# 1147 THR HB 1148 GLU H 4.224 (#peak 1044 #SUP 0.94 #QF 0.78
)
&rst
ixpk= 1044, nxpk= 0, iat= 910, 920, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 1141 PHE HA 1141 PHE QD 3.751 (#peak 1046 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 1046, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 803, 811,
&end
#
# 1110 THR HB 1111 LEU H 4.202 (#peak 1073 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 1073, nxpk= 0, iat= 309, 319, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 1160 GLN HA 1164 TRP H 5.423 (#peak 1082 #SUP 0.99 #QF 0.7
)
&rst
ixpk= 1082, nxpk= 0, iat=1114,1175, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 1111 LEU HA 1113 THR H 4.95 (#peak 1083 #SUP 1 #QF 0.56
)
&rst
ixpk= 1083, nxpk= 0, iat= 321, 355, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 1167 GLU HA 1170 SER H 4.697 (#peak 1097 #SUP 0.52 #QF 0.52
)
&rst
ixpk= 1097, nxpk= 0, iat=1242,1294, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 1166 ARG HA 1169 GLN H 4.455 (#peak 1102 #SUP 0.44 #QF 0.44
)
&rst
ixpk= 1102, nxpk= 0, iat=1218,1277, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 1127 SER HA 1130 LEU H 4.62 (#peak 1103 #SUP 0.73 #QF 0.73
)
&rst
ixpk= 1103, nxpk= 0, iat= 571, 618, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 1120 SER H 1120 SER QB 3.839 (#peak 1108 #SUP 1 #QF 0.39
)
&rst
ixpk= 1108, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 472, 473,
&end
#
# 1091 SER QB 1092 ALA H 4.18 (#peak 1110 #SUP 1 #QF 0.36
)
&rst
ixpk= 1110, nxpk= 0, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 29, 30,
&end
#
# 1168 LYS HA 1170 SER H 4.829 (#peak 1113 #SUP 0.61 #QF 0.61
)
&rst
ixpk= 1113, nxpk= 0, iat=1257,1294, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 1099 ALA HA 1164 TRP HZ2 3.784 (#peak 1124 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1124, nxpk= 0, iat= 138,1188, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 1099 ALA HA 1164 TRP HH2 4.543 (#peak 1125 #SUP 0.99 #QF 0.97
)
&rst
ixpk= 1125, nxpk= 0, iat= 138,1190, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 1127 SER QB 1128 ILE H 4.543 (#peak 1126 #SUP 0.98 #QF 0.39
)
&rst
ixpk= 1126, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 573, 574,
&end
#
# 1164 TRP HB3 1164 TRP HE3 4.18 (#peak 1129 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 1129, nxpk= 0, iat=1180,1194, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 1103 PHE QE 1164 TRP HB3 4.18 (#peak 1131 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1131, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 197, 201,
&end
#
# 1148 GLU HA 1151 LEU H 4.873 (#peak 1134 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 1134, nxpk= 0, iat= 922, 963, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 1096 TYR HB3 1164 TRP HH2 4.543 (#peak 1137 #SUP 1
)
&rst
ixpk= 1137, nxpk= 0, iat= 97,1190, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 1096 TYR HB3 1164 TRP HZ3 4.741 (#peak 1139 #SUP 1
)
&rst
ixpk= 1139, nxpk= 0, iat= 97,1192, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 1133 LEU H 1133 LEU HG 4.598 (#peak 1142 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 1142, nxpk= 0, iat= 678, 685, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 1112 MET HG3 1115 PRO HB3 4.29 (#peak 1149 #SUP 0.8 #QF 0.8
)
&rst
ixpk= 1149, nxpk= 0, iat= 346, 389, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 1114 ASP HB3 1126 ARG HB2 3.245 (#peak 1191 #SUP 0.61 #QF 0.61
)
&rst
ixpk= 1191, nxpk= 0, iat= 374, 549, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 1118 LEU HB3 1119 PRO HG2 4.092 (#peak 1208 #SUP 0.74 #QF 0.74
)
&rst
ixpk= 1208, nxpk= 0, iat= 440, 458, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 1119 PRO HB3 1150 MET HB3 4.257 (#peak 1216 #SUP 0.96 #QF 0.86
)
&rst
ixpk= 1216, nxpk= 0, iat= 462, 951, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 1112 MET HB3 1112 MET QE 4.51 (#peak 1223 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1223, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 349, 350, 351,
&end
#
# 1114 ASP HB3 1126 ARG HB3 4.62 (#peak 1236 #SUP 0.8 #QF 0.8
)
&rst
ixpk= 1236, nxpk= 0, iat= 374, 550, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 1125 ASP HB3 1128 ILE HB 3.861 (#peak 1238 #SUP 0.88 #QF 0.81
)
&rst
ixpk= 1238, nxpk= 0, iat= 538, 584, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 1112 MET HG2 1112 MET QE 3.938 (#peak 1242 #SUP 1
)
&rst
ixpk= 1242, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 349, 350, 351,
&end
#
# 1146 LEU QD2 1150 MET HB2 3.96 (#peak 1252 #SUP 0.92 #QF 0.64
)
&rst
ixpk= 1252, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 900, 901, 902,
&end
#
# 1147 THR QG2 1148 GLU QG 3.861 (#peak 1254 #SUP 0.46 #QF 0.46
)
&rst
ixpk= 1254, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 912, 913, 914,
igr2= 927, 928,
&end
#
# 1108 MET HB3 1110 THR QG2 3.96 (#peak 1257 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 1257, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 311, 312, 313,
&end
#
# 1108 MET HB2 1128 ILE QD1 4.224 (#peak 1260 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1260, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 593, 594, 595,
&end
#
# 1150 MET HB2 1151 LEU HG 4.444 (#peak 1261 #SUP 0.42 #QF 0.42
)
&rst
ixpk= 1261, nxpk= 0, iat= 950, 970, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 1161 ILE QG2 1165 MET HG2 3.927 (#peak 1266 #SUP 0.64 #QF 0.64
)
&rst
ixpk= 1266, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1135,1136,1137,
&end
#
# 1160 GLN HB2 1161 ILE HG13 4.642 (#peak 1267 #SUP 0.68 #QF 0.48
)
&rst
ixpk= 1267, nxpk= 0, iat=1116,1140, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 1151 LEU HB2 1151 LEU QD1 3.696 (#peak 1268 #SUP 0.76 #QF 0.35
)
&rst
ixpk= 1268, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 972, 973, 974,
&end
#
# 1116 VAL HB 1129 ILE QG2 4.224 (#peak 1279 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 1279, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 605, 606, 607,
&end
#
# 1129 ILE QG2 1130 LEU HG 4.829 (#peak 1280 #SUP 0.95 #QF 0.63
)
&rst
ixpk= 1280, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 605, 606, 607,
&end
#
# 1129 ILE QG2 1129 ILE HG12 3.982 (#peak 1295 #SUP 0.99 #QF 0.93
)
&rst
ixpk= 1295, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 605, 606, 607,
&end
#
# 1146 LEU HB2 1146 LEU QD2 4.246 (#peak 1298 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 1298, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 900, 901, 902,
&end
#
# 1129 ILE QG2 1129 ILE HG13 3.982 (#peak 1301 #SUP 0.96 #QF 0.56
)
&rst
ixpk= 1301, nxpk= 0, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 605, 606, 607,
&end
#
# 1146 LEU HB3 1146 LEU QD2 4.246 (#peak 1308 #SUP 1 #QF 0.27
)
&rst
ixpk= 1308, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 900, 901, 902,
&end
#
# 1107 LEU HG 1128 ILE QG2 4.125 (#peak 1314 #SUP 0.46 #QF 0.28
)
&rst
ixpk= 1314, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 586, 587, 588,
&end
#
# 1115 PRO HB3 1123 VAL QG1 3.553 (#peak 1320 #SUP 0.64 #QF 0.64
)
&rst
ixpk= 1320, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 506, 507, 508,
&end
#
# 1151 LEU HB2 1151 LEU QD2 3.509 (#peak 1326 #SUP 0.37 #QF 0.37
)
&rst
ixpk= 1326, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 976, 977, 978,
&end
#
# 1167 GLU QB 1168 LYS HG2 4.257 (#peak 1327 #SUP 0.67 #QF 0.57
)
&rst
ixpk= 1327, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1244,1245,
&end
#
# 1094 ILE HB 1094 ILE QD1 3.718 (#peak 1330 #SUP 0.74 #QF 0.74
)
&rst
ixpk= 1330, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 74, 75, 76,
&end
#
# 1111 LEU HB3 1111 LEU QD2 4.279 (#peak 1336 #SUP 0.96 #QF 0.42
)
&rst
ixpk= 1336, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 332, 333, 334,
&end
#
# 1128 ILE QG2 1128 ILE HG13 3.916 (#peak 1341 #SUP 0.97 #QF 0.93
)
&rst
ixpk= 1341, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 586, 587, 588,
&end
#
# 1130 LEU HB2 1130 LEU QD1 3.52 (#peak 1342 #SUP 0.99 #QF 0.95
)
&rst
ixpk= 1342, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 627, 628, 629,
&end
#
# 1130 LEU HB2 1130 LEU QD2 3.971 (#peak 1342 #SUP 0.99 #QF 0.95
)
&rst
ixpk= 1342, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 631, 632, 633,
&end
#
# 1111 LEU HB2 1111 LEU QD2 4.279 (#peak 1344 #SUP 0.99 #QF 0.42
)
&rst
ixpk= 1344, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 332, 333, 334,
&end
#
# 1128 ILE QG2 1140 PRO HG3 3.597 (#peak 1357 #SUP 0.99 #QF 0.46
)
&rst
ixpk= 1357, nxpk= 0, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 586, 587, 588,
&end
#
# 1107 LEU QD1 1128 ILE QD1 4.84 (#peak 1381 #SUP 0.91 #QF 0.86
)
&rst
ixpk= 1381, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 266, 267, 268,
igr2= 593, 594, 595,
&end
#
# 1107 LEU QD2 1128 ILE QD1 4.84 (#peak 1381 #SUP 0.91 #QF 0.86
)
&rst
ixpk= 1381, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 270, 271, 272,
igr2= 593, 594, 595,
&end
#
# 1111 LEU HG 1161 ILE QD1 5.412 (#peak 1385 #SUP 0.8 #QF 0.8
)
&rst
ixpk= 1385, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1142,1143,1144,
&end
#
# 1146 LEU QD2 1151 LEU QD2 3.52 (#peak 1391 #SUP 0.82 #QF 0.52
)
&rst
ixpk= 1391, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 900, 901, 902,
igr2= 976, 977, 978,
&end
#
# 1103 PHE QD 1161 ILE HG12 4.741 (#peak 1395 #SUP 0.83 #QF 0.83
)
&rst
ixpk= 1395, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 195, 203,
&end
#
# 1099 ALA HA 1100 PRO HD3 3.905 (#peak 1405 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 1405, nxpk= 0, iat= 138, 148, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 1123 VAL HA 1123 VAL QG1 3.729 (#peak 1413 #SUP 0.82 #QF 0.41
)
&rst
ixpk= 1413, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 506, 507, 508,
&end
#
# 1124 MET HB3 1129 ILE QG2 5.126 (#peak 1414 #SUP 0.83 #QF 0.26
)
&rst
ixpk= 1414, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 605, 606, 607,
&end
#
# 1124 MET HB3 1129 ILE QD1 5.203 (#peak 1414 #SUP 0.83 #QF 0.26
)
&rst
ixpk= 1414, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2= 612, 613, 614,
&end
#
# 1116 VAL QG2 1117 ARG H 4.466 (#peak 1431 #SUP 0.59 #QF 0.59
)
&rst
ixpk= 1431, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 405, 406, 407,
&end
#
# 1109 ASP H 1128 ILE QD1 5.258 (#peak 1441 #SUP 0.96 #QF 0.38
)
&rst
ixpk= 1441, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2= 593, 594, 595,
&end
#
# 1130 LEU H 1130 LEU QD2 4.95 (#peak 1442 #SUP 0.87 #QF 0.37
)
&rst
ixpk= 1442, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 631, 632, 633,
&end
#
# 1123 VAL QG2 1124 MET H 4.422 (#peak 1463 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 1463, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 510, 511, 512,
&end
#
# 1112 MET H 1112 MET QE 4.532 (#peak 1481 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1481, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 349, 350, 351,
&end
#
# 1112 MET QE 1113 THR H 4.62 (#peak 1562 #SUP 0.76 #QF 0.76
)
&rst
ixpk= 1562, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 349, 350, 351,
&end
#
# 1136 SER H 1136 SER HB3 4.488 (#peak 1568 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 1568, nxpk= 0, iat= 730, 735, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 1168 LYS H 1168 LYS HB3 4.07 (#peak 1594 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 1594, nxpk= 0, iat=1255,1260, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 1104 ARG H 1112 MET QE 4.389 (#peak 1615 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1615, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 349, 350, 351,
&end
#
# 1157 LEU HB3 1160 GLN H 5.698 (#peak 1617 #SUP 0.75 #QF 0.75
)
&rst
ixpk= 1617, nxpk= 0, iat=1061,1112, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 1111 LEU HG 1164 TRP HE3 5.61 (#peak 1621 #SUP 0.63 #QF 0.63
)
&rst
ixpk= 1621, nxpk= 0, iat= 326,1194, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 1164 TRP HZ2 1168 LYS HE3 5.159 (#peak 1628 #SUP 0.37 #QF 0.37
)
&rst
ixpk= 1628, nxpk= 0, iat=1188,1269, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 1140 PRO HB3 1141 PHE QE 5.027 (#peak 1648 #SUP 0.34 #QF 0.34
)
&rst
ixpk= 1648, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 805, 809,
&end
#
# 1134 LEU H 1134 LEU HG 5.731 (#peak 1655 #SUP 0.98 #QF 0.33
)
&rst
ixpk= 1655, nxpk= 0, iat= 697, 704, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 1130 LEU HB3 1131 ARG H 4.389 (#peak 1658 #SUP 0.69 #QF 0.33
)
&rst
ixpk= 1658, nxpk= 0, iat= 623, 637, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 1151 LEU H 1151 LEU QD1 5.313 (#peak 1661 #SUP 0.54 #QF 0.36
)
&rst
ixpk= 1661, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 972, 973, 974,
&end
#
# 1164 TRP HZ3 1168 LYS HG2 6.039 (#peak 1679 #SUP 0.99 #QF 0.97
)
&rst
ixpk= 1679, nxpk= 0, iat=1192,1262, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 1103 PHE QE 1161 ILE HA 4.455 (#peak 1692 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1692, nxpk= 0, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 197, 201,
&end
#
# 1106 PRO HB2 1141 PHE HZ 4.224 (#peak 1699 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 1699, nxpk= 0, iat= 250, 807, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 1140 PRO HB2 1141 PHE HZ 4.598 (#peak 1702 #SUP 0.68 #QF 0.68
)
&rst
ixpk= 1702, nxpk= 0, iat= 788, 807, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 1094 ILE QD1 1096 TYR QE 5.137 (#peak 1711 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1711, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 74, 75, 76,
igr2= 102, 107,
&end
#
# 1097 SER H 1098 ASP H 4.323 (#peak 1814 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 1814, nxpk= 0, iat= 113, 124, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 1096 TYR H 1097 SER H 4.103 (#peak 1817 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 1817, nxpk= 0, iat= 92, 113, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 1126 ARG H 1127 SER H 4.455 (#peak 1818 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1818, nxpk= 0, iat= 545, 569, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 1143 ARG H 1144 GLN H 4.202 (#peak 1827 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1827, nxpk= 0, iat= 829, 853, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 1169 GLN H 1170 SER H 3.905 (#peak 1838 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 1838, nxpk= 0, iat=1277,1294, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 1167 GLU H 1168 LYS H 3.828 (#peak 1839 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 1839, nxpk= 0, iat=1240,1255, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 1103 PHE H 1104 ARG H 3.553 (#peak 1846 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 1846, nxpk= 0, iat= 187, 207, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 1100 PRO HG2 1103 PHE HB2 4.851 (#peak 1861 #SUP 1 #QF 0.48
)
&rst
ixpk= 1861, nxpk= 0, iat= 150, 191, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 1163 ALA QB 1164 TRP HA 4.895 (#peak 1870 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 1870, nxpk= 0, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1169,1170,1171,
&end
#
# 1115 PRO HD2 1161 ILE QD1 5.082 (#peak 1874 #SUP 1
)
&rst
ixpk= 1874, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1142,1143,1144,
&end
#
# 1096 TYR HB3 1099 ALA QB 4.785 (#peak 1876 #SUP 0.97 #QF 0.96
)
&rst
ixpk= 1876, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 140, 141, 142,
&end
#
# 1117 ARG HA 1123 VAL QG2 4.62 (#peak 1877 #SUP 0.79 #QF 0.79
)
&rst
ixpk= 1877, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 510, 511, 512,
&end
#
# 1165 MET HA 1168 LYS HB2 4.774 (#peak 1884 #SUP 0.4 #QF 0.4
)
&rst
ixpk= 1884, nxpk= 0, iat=1201,1259, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 1132 HIS HB2 1140 PRO HG3 4.807 (#peak 1886 #SUP 0.43 #QF 0.43
)
&rst
ixpk= 1886, nxpk= 0, iat= 665, 786, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 1094 ILE HG13 1169 GLN HA 5.291 (#peak 1888 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 1888, nxpk= 0, iat= 72,1279, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 1096 TYR HA 1168 LYS HE3 5.236 (#peak 1891 #SUP 0.65 #QF 0.65
)
&rst
ixpk= 1891, nxpk= 0, iat= 94,1269, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 1115 PRO HA 1126 ARG HB2 5.676 (#peak 1892 #SUP 0.49 #QF 0.49
)
&rst
ixpk= 1892, nxpk= 0, iat= 391, 549, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 1112 MET QE 1115 PRO HA 4.895 (#peak 1893 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 1893, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 349, 350, 351,
&end
#
# 1104 ARG HB2 1109 ASP HA 6.05 (#peak 1895 #SUP 0.91 #QF 0.86
)
&rst
ixpk= 1895, nxpk= 0, iat= 211, 295, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1154 VAL HA 1157 LEU HB2 6.05 (#peak 1895 #SUP 0.91 #QF 0.86
)
&rst
ixpk= 1895, nxpk= 0, iat=1013,1060, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1159 GLU HA 1162 GLN HG2 4.796 (#peak 1899 #SUP 0.99 #QF 0.78
)
&rst
ixpk= 1899, nxpk= 0, iat=1099,1155, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 1149 SER QB 1150 MET QG 5.027 (#peak 1900 #SUP 0.98 #QF 0.8
)
&rst
ixpk= 1900, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 939, 940,
igr2= 953, 954,
&end
#
# 1118 LEU HB2 1122 THR HB 4.752 (#peak 1904 #SUP 0.86 #QF 0.86
)
&rst
ixpk= 1904, nxpk= 0, iat= 439, 490, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 1161 ILE HA 1162 GLN HA 5.555 (#peak 1905 #SUP 0.87 #QF 0.87
)
&rst
ixpk= 1905, nxpk= 0, iat=1131,1150, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 1103 PHE HB2 1104 ARG QD 5.137 (#peak 1906 #SUP 0.7 #QF 0.6
)
&rst
ixpk= 1906, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 217, 218,
&end
#
# 1162 GLN HA 1165 MET HG3 4.697 (#peak 1916 #SUP 0.71 #QF 0.71
)
&rst
ixpk= 1916, nxpk= 0, iat=1150,1207, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 1143 ARG HA 1143 ARG QD 4.807 (#peak 1917 #SUP 1
)
&rst
ixpk= 1917, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 839, 840,
&end
#
# 1117 ARG QD 1155 PRO HD2 5.544 (#peak 1918 #SUP 0.66 #QF 0.22
)
&rst
ixpk= 1918, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 421, 422,
&end
#
# 1166 ARG HA 1166 ARG QD 5.764 (#peak 1918 #SUP 0.66 #QF 0.22
)
&rst
ixpk= 1918, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1226,1227,
&end
#
# 1139 ASP HB3 1143 ARG HA 5.005 (#peak 1919 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1919, nxpk= 0, iat= 774, 831, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 1115 PRO HD3 1158 LYS HA 4.653 (#peak 1927 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 1927, nxpk= 0, iat= 383,1077, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 1117 ARG QD 1121 GLY HA2 5.577 (#peak 1930 #SUP 0.63 #QF 0.63
)
&rst
ixpk= 1930, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 421, 422,
&end
#
# 1114 ASP HB2 1126 ARG HB2 5.742 (#peak 1939 #SUP 0.67 #QF 0.56
)
&rst
ixpk= 1939, nxpk= 0, iat= 373, 549, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 1103 PHE QD 1161 ILE HA 4.928 (#peak 1954 #SUP 1
)
&rst
ixpk= 1954, nxpk= 0, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 195, 203,
&end
#
# 1093 GLU QG 1096 TYR QE 5.742 (#peak 1955 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 1955, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 53, 54,
igr2= 102, 107,
&end
#
# 1096 TYR QE 1165 MET HG3 5.929 (#peak 1957 #SUP 0.95 #QF 0.86
)
&rst
ixpk= 1957, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 102, 107,
&end
#
# 1096 TYR QE 1168 LYS HE2 5.577 (#peak 1958 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 1958, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 102, 107,
&end
#
# 1164 TRP HZ3 1165 MET HA 5.104 (#peak 1966 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 1966, nxpk= 0, iat=1192,1201, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 1103 PHE HZ 1164 TRP HB2 4.796 (#peak 1967 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1967, nxpk= 0, iat= 199,1179, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 1140 PRO HD2 1141 PHE QD 4.752 (#peak 1968 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1968, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 803, 811,
&end
#
# 1096 TYR HB2 1164 TRP HZ3 5.148 (#peak 1973 #SUP 0.88 #QF 0.72
)
&rst
ixpk= 1973, nxpk= 0, iat= 96,1192, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 1164 TRP HZ3 1165 MET HG3 5.632 (#peak 1973 #SUP 0.88 #QF 0.72
)
&rst
ixpk= 1973, nxpk= 0, iat=1192,1207, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 1104 ARG H 1112 MET HG2 6.05 (#peak 1976 #SUP 0.81 #QF 0.53
)
&rst
ixpk= 1976, nxpk= 0, iat= 207, 345, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1164 TRP HH2 1168 LYS HE3 5.214 (#peak 1979 #SUP 0.8 #QF 0.8
)
&rst
ixpk= 1979, nxpk= 0, iat=1190,1269, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 1164 TRP HH2 1168 LYS HE2 4.939 (#peak 1980 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1980, nxpk= 0, iat=1190,1268, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 1134 LEU H 1135 ASN QB 5.643 (#peak 1981 #SUP 0.99 #QF 0.98
)
&rst
ixpk= 1981, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 720, 721,
&end
#
# 1096 TYR QD 1168 LYS HE2 4.895 (#peak 1983 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 1983, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 100, 109,
&end
#
# 1125 ASP HB2 1128 ILE H 5.126 (#peak 1984 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 1984, nxpk= 0, iat= 537, 580, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 1103 PHE HZ 1160 GLN HB2 4.895 (#peak 1986 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 1986, nxpk= 0, iat= 199,1116, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 1164 TRP HZ3 1165 MET HG2 4.862 (#peak 1987 #SUP 1
)
&rst
ixpk= 1987, nxpk= 0, iat=1192,1206, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 1108 MET QG 1110 THR H 5.819 (#peak 1988 #SUP 0.95 #QF 0.92
)
&rst
ixpk= 1988, nxpk= 0, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 283, 284,
&end
#
# 1103 PHE HZ 1161 ILE HA 5.071 (#peak 1990 #SUP 1
)
&rst
ixpk= 1990, nxpk= 0, iat= 199,1131, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 1127 SER HA 1131 ARG H 4.994 (#peak 1993 #SUP 0.7 #QF 0.7
)
&rst
ixpk= 1993, nxpk= 0, iat= 571, 637, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 1155 PRO HA 1160 GLN H 6.05 (#peak 1995 #SUP 0.96 #QF 0.21
)
&rst
ixpk= 1995, nxpk= 0, iat=1037,1112, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1164 TRP HA 1164 TRP HE3 6.05 (#peak 1995 #SUP 0.96 #QF 0.21
)
&rst
ixpk= 1995, nxpk= 0, iat=1177,1194, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1148 GLU HA 1150 MET H 4.829 (#peak 1999 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 1999, nxpk= 0, iat= 922, 946, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 1147 THR H 1150 MET HB2 4.961 (#peak 2001 #SUP 0.91 #QF 0.91
)
&rst
ixpk= 2001, nxpk= 0, iat= 906, 950, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 1169 GLN H 1169 GLN QG 4.741 (#peak 2003 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 2003, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1284,1285,
&end
#
# 1115 PRO HB2 1124 MET H 6.039 (#peak 2019 #SUP 0.96 #QF 0.95
)
&rst
ixpk= 2019, nxpk= 0, iat= 388, 516, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 1124 MET H 1129 ILE HB 6.05 (#peak 2019 #SUP 0.96 #QF 0.95
)
&rst
ixpk= 2019, nxpk= 0, iat= 516, 603, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1101 ASP H 1102 GLU QG 5.203 (#peak 2022 #SUP 0.39 #QF 0.39
)
&rst
ixpk= 2022, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 179, 180,
&end
#
# 1095 ASP HB2 1096 TYR H 5.203 (#peak 2023 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 2023, nxpk= 0, iat= 84, 92, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 1114 ASP H 1115 PRO HD3 4.939 (#peak 2026 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 2026, nxpk= 0, iat= 369, 383, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 1139 ASP HB3 1142 ASN H 5.082 (#peak 2028 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 2028, nxpk= 0, iat= 774, 815, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 1127 SER QB 1129 ILE H 6.05 (#peak 2036 #SUP 0.87 #QF 0.81
)
&rst
ixpk= 2036, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 573, 574,
&end
#
# 1140 PRO HA 1143 ARG H 6.05 (#peak 2036 #SUP 0.87 #QF 0.81
)
&rst
ixpk= 2036, nxpk= 0, iat= 791, 829, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1169 GLN HB2 1170 SER H 4.763 (#peak 2038 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2038, nxpk= 0, iat=1281,1294, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 1117 ARG H 1154 VAL HB 6.05 (#peak 2044 #SUP 0.97 #QF 0.95
)
&rst
ixpk= 2044, nxpk= 0, iat= 411,1015, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1124 MET QG 1125 ASP H 4.774 (#peak 2045 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2045, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 523, 524,
&end
#
# 1106 PRO QG 1108 MET H 6.05 (#peak 2049 #SUP 0.58 #QF 0.29
)
&rst
ixpk= 2049, nxpk= 0, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 247, 248,
&end
#
# 1108 MET H 1128 ILE HB 6.05 (#peak 2049 #SUP 0.58 #QF 0.29
)
&rst
ixpk= 2049, nxpk= 0, iat= 276, 584, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1105 ASP H 1112 MET HG3 5.995 (#peak 2050 #SUP 0.36 #QF 0.36
)
&rst
ixpk= 2050, nxpk= 0, iat= 231, 346, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 1106 PRO HD3 1107 LEU H 4.851 (#peak 2051 #SUP 0.76 #QF 0.42
)
&rst
ixpk= 2051, nxpk= 0, iat= 245, 257, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 1117 ARG H 1151 LEU HB3 5.929 (#peak 2059 #SUP 0.95 #QF 0.65
)
&rst
ixpk= 2059, nxpk= 0, iat= 411, 968, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 1107 LEU H 1128 ILE QG2 5.082 (#peak 2060 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 2060, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 586, 587, 588,
&end
#
# 1133 LEU QD1 1148 GLU H 5.39 (#peak 2061 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 2061, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 687, 688, 689,
&end
#
# 1148 GLU H 1151 LEU QD2 6.05 (#peak 2063 #SUP 0.72 #QF 0.72
)
&rst
ixpk= 2063, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 976, 977, 978,
&end
#
# 1126 ARG H 1126 ARG HG3 5.137 (#peak 2067 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2067, nxpk= 0, iat= 545, 553, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 1163 ALA QB 1165 MET H 5.467 (#peak 2069 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 2069, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=1169,1170,1171,
&end
#
# 1117 ARG HB2 1118 LEU H 5.159 (#peak 2072 #SUP 0.57 #QF 0.57
)
&rst
ixpk= 2072, nxpk= 0, iat= 415, 435, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 1111 LEU HB2 1112 MET H 5.115 (#peak 2073 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 2073, nxpk= 0, iat= 323, 338, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 1111 LEU HG 1112 MET H 4.961 (#peak 2077 #SUP 0.57 #QF 0.57
)
&rst
ixpk= 2077, nxpk= 0, iat= 326, 338, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 1139 ASP H 1146 LEU HB3 5.137 (#peak 2082 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2082, nxpk= 0, iat= 769, 892, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 1111 LEU HB3 1112 MET H 5.115 (#peak 2083 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 2083, nxpk= 0, iat= 324, 338, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 1138 THR H 1146 LEU HB3 5.478 (#peak 2084 #SUP 0.96 #QF 0.7
)
&rst
ixpk= 2084, nxpk= 0, iat= 755, 892, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 1099 ALA QB 1111 LEU H 6.05 (#peak 2085 #SUP 0.27 #QF 0.27
)
&rst
ixpk= 2085, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 140, 141, 142,
&end
#
# 1130 LEU QD1 1133 LEU H 5.346 (#peak 2086 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 2086, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 627, 628, 629,
&end
#
# 1115 PRO QG 1159 GLU H 6.05 (#peak 2094 #SUP 0.95 #QF 0.86
)
&rst
ixpk= 2094, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 385, 386,
&end
#
# 1124 MET HB2 1129 ILE H 6.05 (#peak 2094 #SUP 0.95 #QF 0.86
)
&rst
ixpk= 2094, nxpk= 0, iat= 520, 599, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1159 GLU H 1161 ILE HB 6.05 (#peak 2094 #SUP 0.95 #QF 0.86
)
&rst
ixpk= 2094, nxpk= 0, iat=1097,1133, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1157 LEU HB2 1158 LYS H 4.532 (#peak 2095 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 2095, nxpk= 0, iat=1060,1075, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 1157 LEU HB3 1158 LYS H 4.906 (#peak 2096 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 2096, nxpk= 0, iat=1061,1075, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 1100 PRO HG2 1103 PHE H 5.456 (#peak 2098 #SUP 0.98 #QF 0.59
)
&rst
ixpk= 2098, nxpk= 0, iat= 150, 187, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 1168 LYS H 1168 LYS QD 5.929 (#peak 2098 #SUP 0.98 #QF 0.59
)
&rst
ixpk= 2098, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2=1265,1266,
&end
#
# 1164 TRP HE3 1168 LYS QD 5.819 (#peak 2099 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 2099, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=1265,1266,
&end
#
# 1094 ILE HB 1096 TYR QD 5.324 (#peak 2108 #SUP 1
)
&rst
ixpk= 2108, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 100, 109,
&end
#
# 1096 TYR QD 1168 LYS HB3 5.687 (#peak 2108 #SUP 1
)
&rst
ixpk= 2108, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 100, 109,
&end
#
# 1107 LEU HG 1141 PHE QE 5.753 (#peak 2109 #SUP 0.99 #QF 0.82
)
&rst
ixpk= 2109, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 805, 809,
&end
#
# 1096 TYR QD 1168 LYS HB2 5.126 (#peak 2110 #SUP 0.5 #QF 0.5
)
&rst
ixpk= 2110, nxpk= 0, iat= -1,1259, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 100, 109,
&end
#
# 1164 TRP HZ3 1168 LYS QD 6.05 (#peak 2116 #SUP 0.49 #QF 0.25
)
&rst
ixpk= 2116, nxpk= 0, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1265,1266,
&end
#
# 1096 TYR QD 1168 LYS QD 5.016 (#peak 2117 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 2117, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 100, 109,
igr2=1265,1266,
&end
#
# 1164 TRP HH2 1168 LYS QD 5.005 (#peak 2118 #SUP 1
)
&rst
ixpk= 2118, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1265,1266,
&end
#
# 1096 TYR QD 1168 LYS HG3 4.928 (#peak 2120 #SUP 0.8 #QF 0.8
)
&rst
ixpk= 2120, nxpk= 0, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 100, 109,
&end
#
# 1100 PRO HG3 1103 PHE HZ 5.896 (#peak 2121 #SUP 0.97 #QF 0.87
)
&rst
ixpk= 2121, nxpk= 0, iat= 151, 199, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 1103 PHE HZ 1161 ILE QD1 6.05 (#peak 2121 #SUP 0.97 #QF 0.87
)
&rst
ixpk= 2121, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1142,1143,1144,
&end
#
# 1096 TYR QE 1168 LYS HG3 5.071 (#peak 2122 #SUP 0.8 #QF 0.8
)
&rst
ixpk= 2122, nxpk= 0, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 102, 107,
&end
#
# 1096 TYR QE 1168 LYS QD 5.115 (#peak 2123 #SUP 1
)
&rst
ixpk= 2123, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 102, 107,
igr2=1265,1266,
&end
#
# 1103 PHE QD 1161 ILE HB 6.05 (#peak 2124 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 2124, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 195, 203,
&end
#
# 1103 PHE QD 1111 LEU HG 4.763 (#peak 2126 #SUP 0.55 #QF 0.55
)
&rst
ixpk= 2126, nxpk= 0, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 195, 203,
&end
#
# 1103 PHE QE 1112 MET QE 5.599 (#peak 2127 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 2127, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 197, 201,
igr2= 349, 350, 351,
&end
#
# 1103 PHE QE 1161 ILE HB 5.951 (#peak 2128 #SUP 0.93 #QF 0.89
)
&rst
ixpk= 2128, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 197, 201,
&end
#
# 1103 PHE QE 1163 ALA QB 6.05 (#peak 2128 #SUP 0.93 #QF 0.89
)
&rst
ixpk= 2128, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr1= 197, 201,
igr2=1169,1170,1171,
&end
#
# 1129 ILE QD1 1132 HIS HB2 4.433 (#peak 2135 #SUP 1
)
&rst
ixpk= 2135, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 612, 613, 614,
&end
#
# 1112 MET HB2 1114 ASP HB2 4.763 (#peak 2144 #SUP 0.73 #QF 0.73
)
&rst
ixpk= 2144, nxpk= 0, iat= 342, 373, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 1163 ALA QB 1166 ARG QD 5.082 (#peak 2147 #SUP 0.34 #QF 0.34
)
&rst
ixpk= 2147, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1169,1170,1171,
igr2=1226,1227,
&end
#
# 1127 SER HA 1130 LEU HB2 6.05 (#peak 2170 #SUP 0.77 #QF 0.24
)
&rst
ixpk= 2170, nxpk= 0, iat= 571, 622, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1168 LYS HB3 1168 LYS HE3 5.06 (#peak 2187 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2187, nxpk= 0, iat=1260,1269, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 1114 ASP HB2 1126 ARG HB3 4.356 (#peak 2190 #SUP 0.61 #QF 0.61
)
&rst
ixpk= 2190, nxpk= 0, iat= 373, 550, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 1116 VAL HB 1126 ARG HB2 5.753 (#peak 2193 #SUP 0.84 #QF 0.72
)
&rst
ixpk= 2193, nxpk= 0, iat= 399, 549, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 1117 ARG HB3 1152 GLU QG 6.017 (#peak 2193 #SUP 0.84 #QF 0.72
)
&rst
ixpk= 2193, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2= 989, 990,
&end
#
# 1125 ASP HB3 1128 ILE HG12 4.884 (#peak 2195 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 2195, nxpk= 0, iat= 538, 590, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 1167 GLU QB 1168 LYS QD 5.082 (#peak 2198 #SUP 0.96 #QF 0.95
)
&rst
ixpk= 2198, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1244,1245,
igr2=1265,1266,
&end
#
# 1100 PRO HG2 1102 GLU QG 4.521 (#peak 2201 #SUP 0.98 #QF 0.62
)
&rst
ixpk= 2201, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 179, 180,
&end
#
# 1125 ASP HB3 1128 ILE HG13 4.884 (#peak 2209 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 2209, nxpk= 0, iat= 538, 591, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 1161 ILE HA 1161 ILE HG13 4.081 (#peak 2213 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2213, nxpk= 0, iat=1131,1140, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 1112 MET HG2 1161 ILE QD1 5.225 (#peak 2221 #SUP 1
)
&rst
ixpk= 2221, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1142,1143,1144,
&end
#
# 1103 PHE HB2 1111 LEU HG 5.159 (#peak 2225 #SUP 0.67 #QF 0.67
)
&rst
ixpk= 2225, nxpk= 0, iat= 191, 326, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 1108 MET QG 1128 ILE QD1 3.916 (#peak 2226 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2226, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 283, 284,
igr2= 593, 594, 595,
&end
#
# 1125 ASP HB2 1128 ILE QD1 4.598 (#peak 2227 #SUP 0.94 #QF 0.64
)
&rst
ixpk= 2227, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 593, 594, 595,
&end
#
# 1124 MET HB3 1140 PRO HG3 6.05 (#peak 2228 #SUP 0.8 #QF 0.55
)
&rst
ixpk= 2228, nxpk= 0, iat= 521, 786, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1100 PRO HG3 1102 GLU QG 5.027 (#peak 2229 #SUP 0.99 #QF 0.58
)
&rst
ixpk= 2229, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 179, 180,
&end
#
# 1115 PRO HB3 1161 ILE QD1 5.005 (#peak 2230 #SUP 1 #QF 0.67
)
&rst
ixpk= 2230, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1142,1143,1144,
&end
#
# 1157 LEU HB2 1161 ILE QD1 5.775 (#peak 2230 #SUP 1 #QF 0.67
)
&rst
ixpk= 2230, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2=1142,1143,1144,
&end
#
# 1112 MET HB2 1161 ILE QD1 5.071 (#peak 2231 #SUP 1
)
&rst
ixpk= 2231, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1142,1143,1144,
&end
#
# 1094 ILE QG2 1168 LYS HB2 4.609 (#peak 2233 #SUP 0.49 #QF 0.49
)
&rst
ixpk= 2233, nxpk= 0, iat= -1,1259, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 67, 68, 69,
&end
#
# 1094 ILE QG2 1168 LYS QD 5.104 (#peak 2240 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 2240, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 67, 68, 69,
igr2=1265,1266,
&end
#
# 1139 ASP H 1146 LEU HG 5.126 (#peak 2257 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 2257, nxpk= 0, iat= 769, 894, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 1091 SER H 1092 ALA QB 5.082 (#peak 2264 #SUP 0.31 #QF 0.31
)
&rst
ixpk= 2264, nxpk= 0, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 40, 41, 42,
&end
#
# 1129 ILE H 1129 ILE HG12 5.478 (#peak 2265 #SUP 0.96 #QF 0.95
)
&rst
ixpk= 2265, nxpk= 0, iat= 599, 609, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 1129 ILE QD1 1132 HIS H 5.291 (#peak 2277 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 2277, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 612, 613, 614,
&end
#
# 1146 LEU QD2 1150 MET H 5.5 (#peak 2278 #SUP 0.67 #QF 0.3
)
&rst
ixpk= 2278, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 900, 901, 902,
&end
#
# 1164 TRP HE3 1168 LYS HB2 6.05 (#peak 2285 #SUP 0.99 #QF 0.36
)
&rst
ixpk= 2285, nxpk= 0, iat=1194,1259, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1105 ASP H 1112 MET HG2 5.511 (#peak 2295 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 2295, nxpk= 0, iat= 231, 345, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 1156 GLU QG 1158 LYS H 4.785 (#peak 2304 #SUP 0.68 #QF 0.68
)
&rst
ixpk= 2304, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1048,1049,
&end
#
# 1119 PRO HB3 1120 SER H 4.829 (#peak 2307 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 2307, nxpk= 0, iat= 462, 468, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 1161 ILE HA 1164 TRP HE3 4.796 (#peak 2309 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2309, nxpk= 0, iat=1131,1194, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 1131 ARG H 1132 HIS HB2 5.896 (#peak 2311 #SUP 0.92 #QF 0.63
)
&rst
ixpk= 2311, nxpk= 0, iat= 637, 665, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 1096 TYR HB2 1164 TRP HH2 6.05 (#peak 2311 #SUP 0.92 #QF 0.63
)
&rst
ixpk= 2311, nxpk= 0, iat= 96,1190, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1100 PRO HD2 1164 TRP HH2 6.05 (#peak 2311 #SUP 0.92 #QF 0.63
)
&rst
ixpk= 2311, nxpk= 0, iat= 147,1190, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1096 TYR QD 1168 LYS HE3 5.016 (#peak 2332 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 2332, nxpk= 0, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 100, 109,
&end
#
# 1164 TRP H 1164 TRP HE3 5.236 (#peak 2373 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 2373, nxpk= 0, iat=1175,1194, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 1107 LEU H 1141 PHE HZ 5.126 (#peak 2377 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 2377, nxpk= 0, iat= 257, 807, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 1171 SER H 1172 ASP H 4.664 (#peak 2383 #SUP 0.95 #QF 0.47
)
&rst
ixpk= 2383, nxpk= 0, iat=1305,1316, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 1093 GLU H 1094 ILE H 5.555 (#peak 2384 #SUP 0.99 #QF 0.96
)
&rst
ixpk= 2384, nxpk= 0, iat= 46, 61, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 1094 ILE H 1095 ASP H 6.039 (#peak 2384 #SUP 0.99 #QF 0.96
)
&rst
ixpk= 2384, nxpk= 0, iat= 61, 80, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 1162 GLN H 1165 MET H 5.874 (#peak 2393 #SUP 0.98 #QF 0.69
)
&rst
ixpk= 2393, nxpk= 0, iat=1148,1199, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 1163 ALA H 1165 MET H 6.05 (#peak 2393 #SUP 0.98 #QF 0.69
)
&rst
ixpk= 2393, nxpk= 0, iat=1165,1199, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1154 VAL HA 1156 GLU H 4.961 (#peak 2399 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 2399, nxpk= 0, iat=1013,1041, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 1114 ASP H 1115 PRO HD2 5.192 (#peak 2413 #SUP 0.99 #QF 0.77
)
&rst
ixpk= 2413, nxpk= 0, iat= 369, 382, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 1142 ASN H 1143 ARG QG 5.698 (#peak 2420 #SUP 0.67 #QF 0.29
)
&rst
ixpk= 2420, nxpk= 0, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 836, 837,
&end
#
# 1146 LEU H 1146 LEU QD2 5.192 (#peak 2423 #SUP 1 #QF 0.99
)
&rst
ixpk= 2423, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 900, 901, 902,
&end
#
# 1146 LEU H 1146 LEU QD1 5.566 (#peak 2423 #SUP 1 #QF 0.99
)
&rst
ixpk= 2423, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2= 896, 897, 898,
&end
#
# 1096 TYR HB2 1111 LEU HG 4.928 (#peak 2425 #SUP 0.51 #QF 0.51
)
&rst
ixpk= 2425, nxpk= 0, iat= 96, 326, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 1124 MET QE 1140 PRO HD2 4.62 (#peak 2432 #SUP 0.43 #QF 0.43
)
&rst
ixpk= 2432, nxpk= 0, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 527, 528, 529,
&end
#
# 1129 ILE HB 1140 PRO HG3 5.423 (#peak 2443 #SUP 0.66 #QF 0.54
)
&rst
ixpk= 2443, nxpk= 0, iat= 603, 786, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 1107 LEU HB2 1107 LEU QD1 4.664 (#peak 2445 #SUP 1 #QF 0.98
)
&rst
ixpk= 2445, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 266, 267, 268,
&end
#
# 1107 LEU HB2 1107 LEU QD2 4.664 (#peak 2445 #SUP 1 #QF 0.98
)
&rst
ixpk= 2445, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 270, 271, 272,
&end
#
# 1115 PRO HA 1123 VAL QG1 4.774 (#peak 2464 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 2464, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 506, 507, 508,
&end
#
# 1168 LYS H 1170 SER H 4.884 (#peak 2466 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 2466, nxpk= 0, iat=1255,1294, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 1158 LYS H 1160 GLN H 5.016 (#peak 2467 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 2467, nxpk= 0, iat=1075,1112, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 1099 ALA H 1164 TRP HZ2 4.862 (#peak 2468 #SUP 1
)
&rst
ixpk= 2468, nxpk= 0, iat= 136,1188, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 1168 LYS H 1169 GLN H 3.773 (#peak 2470 #SUP 0.88 #QF 0.88
)
&rst
ixpk= 2470, nxpk= 0, iat=1255,1277, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 1103 PHE QE 1161 ILE H 5.137 (#peak 2473 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2473, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 197, 201,
&end
#
# 1103 PHE QE 1164 TRP H 4.818 (#peak 2474 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2474, nxpk= 0, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 197, 201,
&end
#
# 1144 GLN H 1145 MET H 5.082 (#peak 2479 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 2479, nxpk= 0, iat= 853, 870, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 1170 SER H 1171 SER H 4.895 (#peak 2480 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 2480, nxpk= 0, iat=1294,1305, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 1142 ASN H 1144 GLN H 5.06 (#peak 2483 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 2483, nxpk= 0, iat= 815, 853, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 1122 THR H 1123 VAL H 5.06 (#peak 2485 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 2485, nxpk= 0, iat= 486, 500, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 1096 TYR QD 1099 ALA H 5.423 (#peak 2488 #SUP 0.51 #QF 0.51
)
&rst
ixpk= 2488, nxpk= 0, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 100, 109,
&end
#
# 1096 TYR QD 1164 TRP HE3 5.225 (#peak 2489 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2489, nxpk= 0, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 100, 109,
&end
#
# 1096 TYR QD 1164 TRP HZ2 5.346 (#peak 2490 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2490, nxpk= 0, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 100, 109,
&end
#
# 1103 PHE HZ 1160 GLN H 6.05 (#peak 2491 #SUP 0.46 #QF 0.46
)
&rst
ixpk= 2491, nxpk= 0, iat= 199,1112, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1157 LEU H 1160 GLN H 5.258 (#peak 2492 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 2492, nxpk= 0, iat=1056,1112, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 1114 ASP H 1126 ARG H 5.148 (#peak 2494 #SUP 0.89 #QF 0.89
)
&rst
ixpk= 2494, nxpk= 0, iat= 369, 545, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 1096 TYR QE 1164 TRP HH2 5.676 (#peak 2500 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2500, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 102, 107,
&end
#
# 1105 ASP H 1112 MET QE 5.192 (#peak 2505 #SUP 0.81 #QF 0.81
)
&rst
ixpk= 2505, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 349, 350, 351,
&end
#
# 1149 SER HA 1151 LEU H 5.104 (#peak 2507 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 2507, nxpk= 0, iat= 937, 963, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 1124 MET HA 1124 MET QE 5.17 (#peak 2508 #SUP 0.9 #QF 0.2
)
&rst
ixpk= 2508, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 527, 528, 529,
&end
#
# 1112 MET QE 1125 ASP HA 5.489 (#peak 2509 #SUP 0.53 #QF 0.53
)
&rst
ixpk= 2509, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 349, 350, 351,
&end
#
# 1103 PHE HB3 1112 MET QE 5.236 (#peak 2510 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2510, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 349, 350, 351,
&end
#
# 1100 PRO HB3 1103 PHE HB2 6.05 (#peak 2511 #SUP 1 #QF 0.9
)
&rst
ixpk= 2511, nxpk= 0, iat= 154, 191, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1103 PHE HB2 1112 MET QE 6.05 (#peak 2511 #SUP 1 #QF 0.9
)
&rst
ixpk= 2511, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 349, 350, 351,
&end
#
# 1103 PHE HB3 1161 ILE QD1 4.862 (#peak 2516 #SUP 1
)
&rst
ixpk= 2516, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1142,1143,1144,
&end
#
# 1116 VAL HA 1152 GLU H 5.115 (#peak 2518 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 2518, nxpk= 0, iat= 397, 982, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 1141 PHE H 1141 PHE QE 5.753 (#peak 2522 #SUP 1 #QF 0.99
)
&rst
ixpk= 2522, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 805, 809,
&end
#
# 1139 ASP H 1146 LEU H 5.214 (#peak 2523 #SUP 1
)
&rst
ixpk= 2523, nxpk= 0, iat= 769, 887, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 1117 ARG HA 1154 VAL H 6.05 (#peak 2530 #SUP 0.72 #QF 0.72
)
&rst
ixpk= 2530, nxpk= 0, iat= 413,1011, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1135 ASN H 1136 SER HA 5.786 (#peak 2531 #SUP 0.92 #QF 0.92
)
&rst
ixpk= 2531, nxpk= 0, iat= 716, 732, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 1106 PRO HA 1141 PHE HZ 6.05 (#peak 2534 #SUP 0.99 #QF 0.99
)
&rst
ixpk= 2534, nxpk= 0, iat= 253, 807, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1096 TYR HA 1096 TYR QE 5.17 (#peak 2535 #SUP 0.84 #QF 0.84
)
&rst
ixpk= 2535, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 102, 107,
&end
#
# 1096 TYR HA 1164 TRP HZ3 5.137 (#peak 2536 #SUP 0.85 #QF 0.85
)
&rst
ixpk= 2536, nxpk= 0, iat= 94,1192, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 1094 ILE HA 1096 TYR QE 6.05 (#peak 2538 #SUP 0.99 #QF 0.84
)
&rst
ixpk= 2538, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 102, 107,
&end
#
# 1096 TYR QE 1168 LYS HA 6.05 (#peak 2538 #SUP 0.99 #QF 0.84
)
&rst
ixpk= 2538, nxpk= 0, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 102, 107,
&end
#
# 1115 PRO HD2 1158 LYS H 5.247 (#peak 2539 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 2539, nxpk= 0, iat= 382,1075, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 1136 SER H 1137 PRO HD3 5.335 (#peak 2540 #SUP 1
)
&rst
ixpk= 2540, nxpk= 0, iat= 730, 743, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 1105 ASP QB 1141 PHE HZ 5.654 (#peak 2548 #SUP 0.29 #QF 0.29
)
&rst
ixpk= 2548, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 235, 236,
&end
#
# 1100 PRO HG2 1103 PHE QE 5.291 (#peak 2551 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 2551, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 197, 201,
&end
#
# 1164 TRP HE3 1168 LYS HG3 5.28 (#peak 2553 #SUP 0.44 #QF 0.44
)
&rst
ixpk= 2553, nxpk= 0, iat=1194,1263, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 1139 ASP H 1146 LEU HB2 5.137 (#peak 2584 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 2584, nxpk= 0, iat= 769, 891, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 1146 LEU H 1146 LEU HG 5.588 (#peak 2597 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 2597, nxpk= 0, iat= 887, 894, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 1100 PRO HB2 1103 PHE QE 6.05 (#peak 2606 #SUP 0.99 #QF 0.98
)
&rst
ixpk= 2606, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 197, 201,
&end
#
# 1110 THR H 1128 ILE QD1 6.05 (#peak 2606 #SUP 0.99 #QF 0.98
)
&rst
ixpk= 2606, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 593, 594, 595,
&end
#
# 1096 TYR QE 1099 ALA QB 6.05 (#peak 2608 #SUP 0.96 #QF 0.96
)
&rst
ixpk= 2608, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr1= 102, 107,
igr2= 140, 141, 142,
&end
#
# 1103 PHE QE 1160 GLN HB2 5.005 (#peak 2611 #SUP 0.98 #QF 0.98
)
&rst
ixpk= 2611, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 197, 201,
&end
#
# 1104 ARG QD 1109 ASP HA 6.05 (#peak 2615 #SUP 0.95 #QF 0.95
)
&rst
ixpk= 2615, nxpk= 0, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 217, 218,
&end
#
# 1117 ARG HA 1118 LEU HB2 5.269 (#peak 2617 #SUP 0.93 #QF 0.93
)
&rst
ixpk= 2617, nxpk= 0, iat= 413, 439, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 1138 THR HA 1146 LEU HB2 5.181 (#peak 2618 #SUP 0.56 #QF 0.56
)
&rst
ixpk= 2618, nxpk= 0, iat= 757, 891, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 1138 THR HA 1146 LEU HB3 5.181 (#peak 2619 #SUP 0.6 #QF 0.6
)
&rst
ixpk= 2619, nxpk= 0, iat= 757, 892, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 1116 VAL QG2 1152 GLU H 5.181 (#peak 2625 #SUP 0.58 #QF 0.58
)
&rst
ixpk= 2625, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 405, 406, 407,
&end
#
# 1117 ARG HA 1154 VAL QG1 5.698 (#peak 2630 #SUP 0.99 #QF 0.98
)
&rst
ixpk= 2630, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr2=1017,1018,1019,
&end
#
# 1123 VAL QG1 1124 MET HA 4.884 (#peak 2631 #SUP 0.96 #QF 0.21
)
&rst
ixpk= 2631, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 506, 507, 508,
&end
#
# 1094 ILE HG12 1169 GLN HA 5.291 (#peak 2632 #SUP 0.66 #QF 0.66
)
&rst
ixpk= 2632, nxpk= 0, iat= 71,1279, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 1151 LEU HB3 1152 GLU HA 6.05 (#peak 2633 #SUP 0.73 #QF 0.56
)
&rst
ixpk= 2633, nxpk= 0, iat= 968, 984, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1140 PRO HD2 1141 PHE QE 6.05 (#peak 2634 #SUP 1
)
&rst
ixpk= 2634, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 805, 809,
&end
#
# 1129 ILE H 1130 LEU HG 5.742 (#peak 2635 #SUP 0.9 #QF 0.9
)
&rst
ixpk= 2635, nxpk= 0, iat= 599, 625, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 1138 THR HA 1145 MET HA 5.346 (#peak 2641 #SUP 0.66 #QF 0.66
)
&rst
ixpk= 2641, nxpk= 0, iat= 757, 872, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 1129 ILE HA 1132 HIS HB2 4.378 (#peak 2645 #SUP 0.97 #QF 0.97
)
&rst
ixpk= 2645, nxpk= 0, iat= 601, 665, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 1106 PRO HD2 1124 MET HA 5.918 (#peak 2646 #SUP 0.85 #QF 0.39
)
&rst
ixpk= 2646, nxpk= 0, iat= 244, 518, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 1124 MET HA 1125 ASP HA 6.05 (#peak 2646 #SUP 0.85 #QF 0.39
)
&rst
ixpk= 2646, nxpk= 0, iat= 518, 535, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 1103 PHE QD 1164 TRP HB2 5.643 (#peak 2647 #SUP 1
)
&rst
ixpk= 2647, nxpk= 0, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 195, 203,
&end
#
# 1096 TYR QD 1168 LYS H 6.05 (#peak 2649 #SUP 0.6 #QF 0.6
)
&rst
ixpk= 2649, nxpk= 0, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 100, 109,
&end
#
# 1161 ILE HA 1165 MET H 5.39 (#peak 2650 #SUP 0.94 #QF 0.94
)
&rst
ixpk= 2650, nxpk= 0, iat=1131,1199, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 1106 PRO HD3 1124 MET HA 5.918 (#peak 2651 #SUP 0.56 #QF 0.56
)
&rst
ixpk= 2651, nxpk= 0, iat= 245, 518, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 1092 ALA HA 1093 GLU QB 5.874 (#peak 1234
)
&rst
ixpk= 1234, nxpk= 0, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 50, 51,
&end
#
# 1093 GLU H 1093 GLU QB 3.883 (#peak 1162
)
&rst
ixpk= 1162, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 50, 51,
&end
#
# 1093 GLU QB 1094 ILE H 3.773 (#peak 200
)
&rst
ixpk= 200, nxpk= 0, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 50, 51,
&end
#
# 1093 GLU QB 1094 ILE HB 4.73 (#peak 965
)
&rst
ixpk= 965, nxpk= 0, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 50, 51,
&end
#
# 1093 GLU QB 1094 ILE QG2 5.874 (#peak 1347
)
&rst
ixpk= 1347, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1= 50, 51,
igr2= 67, 68, 69,
&end
#
# 1093 GLU QB 1096 TYR QD 5.401 (#peak 208
)
&rst
ixpk= 208, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 50, 51,
igr2= 100, 109,
&end
#
# 1093 GLU QB 1096 TYR QE 4.312 (#peak 1709
)
&rst
ixpk= 1709, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 50, 51,
igr2= 102, 107,
&end
#
# 1094 ILE H 1094 ILE QG1 3.52 (#peak 270
)
&rst
ixpk= 270, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 71, 72,
&end
#
# 1094 ILE HA 1094 ILE QG1 4.103 (#peak 367
)
&rst
ixpk= 367, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 71, 72,
&end
#
# 1094 ILE HA 1095 ASP QB 5.302 (#peak 1208
)
&rst
ixpk= 1208, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 84, 85,
&end
#
# 1094 ILE QG2 1095 ASP QB 4.532 (#peak 1348
)
&rst
ixpk= 1348, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 67, 68, 69,
igr2= 84, 85,
&end
#
# 1094 ILE QG1 1095 ASP H 4.972 (#peak 592
)
&rst
ixpk= 592, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 71, 72,
&end
#
# 1094 ILE QG1 1168 LYS HB2 4.576 (#peak 1291
)
&rst
ixpk= 1291, nxpk= 0, iat= -1,1259, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 71, 72,
&end
#
# 1094 ILE QG1 1169 GLN HA 4.62 (#peak 1888
)
&rst
ixpk= 1888, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 71, 72,
&end
#
# 1094 ILE QD1 1169 GLN QB 5.687 (#peak 1271
)
&rst
ixpk= 1271, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1= 74, 75, 76,
igr2=1281,1282,
&end
#
# 1095 ASP H 1095 ASP QB 3.212 (#peak 236
)
&rst
ixpk= 236, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 84, 85,
&end
#
# 1095 ASP QB 1096 TYR H 4.4 (#peak 203
)
&rst
ixpk= 203, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 84, 85,
&end
#
# 1095 ASP QB 1097 SER H 5.214 (#peak 706
)
&rst
ixpk= 706, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 84, 85,
&end
#
# 1096 TYR QD 1111 LEU QB 5.126 (#peak 2115
)
&rst
ixpk= 2115, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 100, 109,
igr2= 323, 324,
&end
#
# 1098 ASP H 1098 ASP QB 3.608 (#peak 150
)
&rst
ixpk= 150, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 128, 129,
&end
#
# 1098 ASP QB 1099 ALA H 4.213 (#peak 254
)
&rst
ixpk= 254, nxpk= 0, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 128, 129,
&end
#
# 1098 ASP QB 1164 TRP HZ2 4.29 (#peak 82
)
&rst
ixpk= 82, nxpk= 0, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 128, 129,
&end
#
# 1101 ASP H 1101 ASP QB 3.168 (#peak 262
)
&rst
ixpk= 262, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 164, 165,
&end
#
# 1101 ASP QB 1102 GLU H 3.729 (#peak 56
)
&rst
ixpk= 56, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 164, 165,
&end
#
# 1101 ASP QB 1103 PHE H 5.852 (#peak 1597
)
&rst
ixpk= 1597, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 164, 165,
&end
#
# 1103 PHE QD 1157 LEU QQD 4.037 (#peak 843
)
&rst
ixpk= 843, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 195, 203,
igr2=1065,1066,1067,1069,1070,1071,
&end
#
# 1103 PHE QE 1157 LEU QQD 3.674 (#peak 1695
)
&rst
ixpk= 1695, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 197, 201,
igr2=1065,1066,1067,1069,1070,1071,
&end
#
# 1103 PHE HZ 1157 LEU QQD 5.379 (#peak 291
)
&rst
ixpk= 291, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2=1065,1066,1067,1069,1070,1071,
&end
#
# 1103 PHE HZ 1160 GLN QG 5.137 (#peak 1985
)
&rst
ixpk= 1985, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1119,1120,
&end
#
# 1104 ARG QG 1111 LEU QB 4.906 (#peak 178
)
&rst
ixpk= 178, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 214, 215,
igr2= 323, 324,
&end
#
# 1105 ASP H 1106 PRO QD 5.819 (#peak 92
)
&rst
ixpk= 92, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 244, 245,
&end
#
# 1105 ASP QB 1106 PRO QD 4.081 (#peak 606
)
&rst
ixpk= 606, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 235, 236,
igr2= 244, 245,
&end
#
# 1105 ASP QB 1107 LEU QQD 5.984 (#peak 2228
)
&rst
ixpk= 2228, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.05, r4= 9.55,
igr1= 235, 236,
igr2= 266, 267, 268, 270, 271, 272,
&end
#
# 1106 PRO QD 1107 LEU H 4.224 (#peak 81
)
&rst
ixpk= 81, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 244, 245,
&end
#
# 1106 PRO QD 1124 MET HA 5.027 (#peak 2651
)
&rst
ixpk= 2651, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 244, 245,
&end
#
# 1107 LEU H 1107 LEU QB 3.487 (#peak 85
)
&rst
ixpk= 85, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 261, 262,
&end
#
# 1107 LEU H 1107 LEU QQD 4.246 (#peak 86
)
&rst
ixpk= 86, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 266, 267, 268, 270, 271, 272,
&end
#
# 1107 LEU HA 1107 LEU QQD 3.234 (#peak 815
)
&rst
ixpk= 815, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 266, 267, 268, 270, 271, 272,
&end
#
# 1107 LEU QB 1108 MET HB2 5.28 (#peak 1147
)
&rst
ixpk= 1147, nxpk= 0, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 261, 262,
&end
#
# 1107 LEU QB 1128 ILE QG2 3.597 (#peak 1314
)
&rst
ixpk= 1314, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 261, 262,
igr2= 586, 587, 588,
&end
#
# 1107 LEU QB 1128 ILE QD1 3.916 (#peak 1346
)
&rst
ixpk= 1346, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 261, 262,
igr2= 593, 594, 595,
&end
#
# 1107 LEU QB 1141 PHE QE 4.51 (#peak 1635
)
&rst
ixpk= 1635, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 261, 262,
igr2= 805, 809,
&end
#
# 1107 LEU QB 1141 PHE HZ 4.191 (#peak 257
)
&rst
ixpk= 257, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 261, 262,
&end
#
# 1107 LEU QQD 1108 MET H 4.796 (#peak 51
)
&rst
ixpk= 51, nxpk= 0, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 266, 267, 268, 270, 271, 272,
&end
#
# 1107 LEU QQD 1108 MET HB2 5.676 (#peak 1275
)
&rst
ixpk= 1275, nxpk= 0, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
igr1= 266, 267, 268, 270, 271, 272,
&end
#
# 1107 LEU QQD 1108 MET QG 5.137 (#peak 2439
)
&rst
ixpk= 2439, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr1= 266, 267, 268, 270, 271, 272,
igr2= 283, 284,
&end
#
# 1107 LEU QQD 1128 ILE QG2 4.059 (#peak 471
)
&rst
ixpk= 471, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 266, 267, 268, 270, 271, 272,
igr2= 586, 587, 588,
&end
#
# 1107 LEU QQD 1128 ILE QD1 4.136 (#peak 1381
)
&rst
ixpk= 1381, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 266, 267, 268, 270, 271, 272,
igr2= 593, 594, 595,
&end
#
# 1107 LEU QQD 1140 PRO HB2 4.07 (#peak 1361
)
&rst
ixpk= 1361, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 266, 267, 268, 270, 271, 272,
&end
#
# 1107 LEU QQD 1141 PHE QD 4.84 (#peak 377
)
&rst
ixpk= 377, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 266, 267, 268, 270, 271, 272,
igr2= 803, 811,
&end
#
# 1107 LEU QQD 1141 PHE QE 4.026 (#peak 376
)
&rst
ixpk= 376, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 266, 267, 268, 270, 271, 272,
igr2= 805, 809,
&end
#
# 1107 LEU QQD 1141 PHE HZ 3.806 (#peak 378
)
&rst
ixpk= 378, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 266, 267, 268, 270, 271, 272,
&end
#
# 1108 MET HB2 1128 ILE QG1 4.675 (#peak 2437
)
&rst
ixpk= 2437, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 590, 591,
&end
#
# 1110 THR HA 1111 LEU QB 5.874 (#peak 1220
)
&rst
ixpk= 1220, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 323, 324,
&end
#
# 1110 THR QG2 1111 LEU QB 5.599 (#peak 1285
)
&rst
ixpk= 1285, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 311, 312, 313,
igr2= 323, 324,
&end
#
# 1111 LEU QB 1111 LEU QD2 3.63 (#peak 1344
)
&rst
ixpk= 1344, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 323, 324,
igr2= 332, 333, 334,
&end
#
# 1111 LEU QB 1112 MET H 4.499 (#peak 2073
)
&rst
ixpk= 2073, nxpk= 0, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 323, 324,
&end
#
# 1111 LEU QB 1113 THR QG2 4.675 (#peak 1286
)
&rst
ixpk= 1286, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 323, 324,
igr2= 361, 362, 363,
&end
#
# 1112 MET QE 1157 LEU QQD 4.345 (#peak 1284
)
&rst
ixpk= 1284, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1= 349, 350, 351,
igr2=1065,1066,1067,1069,1070,1071,
&end
#
# 1114 ASP H 1116 VAL QQG 5.984 (#peak 750
)
&rst
ixpk= 750, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr2= 401, 402, 403, 405, 406, 407,
&end
#
# 1114 ASP HB3 1126 ARG QG 4.576 (#peak 1866
)
&rst
ixpk= 1866, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 552, 553,
&end
#
# 1114 ASP HB3 1126 ARG QD 5.368 (#peak 2621
)
&rst
ixpk= 2621, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 555, 556,
&end
#
# 1115 PRO HA 1116 VAL QQG 4.29 (#peak 525
)
&rst
ixpk= 525, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 401, 402, 403, 405, 406, 407,
&end
#
# 1115 PRO HD2 1158 LYS QG 4.433 (#peak 1120
)
&rst
ixpk= 1120, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1082,1083,
&end
#
# 1116 VAL H 1116 VAL QQG 3.223 (#peak 25
)
&rst
ixpk= 25, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 401, 402, 403, 405, 406, 407,
&end
#
# 1116 VAL H 1154 VAL QQG 5.467 (#peak 325
)
&rst
ixpk= 325, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr2=1017,1018,1019,1021,1022,1023,
&end
#
# 1116 VAL QQG 1117 ARG H 3.586 (#peak 1019
)
&rst
ixpk= 1019, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 401, 402, 403, 405, 406, 407,
&end
#
# 1116 VAL QQG 1117 ARG HB2 5.071 (#peak 889
)
&rst
ixpk= 889, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1= 401, 402, 403, 405, 406, 407,
&end
#
# 1116 VAL QQG 1126 ARG H 3.674 (#peak 116
)
&rst
ixpk= 116, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 401, 402, 403, 405, 406, 407,
&end
#
# 1116 VAL QQG 1126 ARG HA 3.641 (#peak 710
)
&rst
ixpk= 710, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 401, 402, 403, 405, 406, 407,
&end
#
# 1116 VAL QQG 1126 ARG HB2 3.971 (#peak 1328
)
&rst
ixpk= 1328, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 401, 402, 403, 405, 406, 407,
&end
#
# 1116 VAL QQG 1126 ARG QG 4.301 (#peak 890
)
&rst
ixpk= 890, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 401, 402, 403, 405, 406, 407,
igr2= 552, 553,
&end
#
# 1116 VAL QQG 1126 ARG QD 5.104 (#peak 2424
)
&rst
ixpk= 2424, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 401, 402, 403, 405, 406, 407,
igr2= 555, 556,
&end
#
# 1116 VAL QQG 1127 SER H 5.247 (#peak 2076
)
&rst
ixpk= 2076, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 401, 402, 403, 405, 406, 407,
&end
#
# 1116 VAL QQG 1129 ILE H 5.621 (#peak 1343
)
&rst
ixpk= 1343, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr1= 401, 402, 403, 405, 406, 407,
&end
#
# 1116 VAL QQG 1129 ILE HB 5.984 (#peak 1271
)
&rst
ixpk= 1271, nxpk= 0, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 401, 402, 403, 405, 406, 407,
&end
#
# 1116 VAL QQG 1129 ILE QG2 3.322 (#peak 1390
)
&rst
ixpk= 1390, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 401, 402, 403, 405, 406, 407,
igr2= 605, 606, 607,
&end
#
# 1116 VAL QQG 1129 ILE QG1 5.17 (#peak 889
)
&rst
ixpk= 889, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 401, 402, 403, 405, 406, 407,
igr2= 609, 610,
&end
#
# 1116 VAL QQG 1151 LEU HA 4.059 (#peak 598
)
&rst
ixpk= 598, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 401, 402, 403, 405, 406, 407,
&end
#
# 1116 VAL QQG 1151 LEU HB3 3.784 (#peak 1354
)
&rst
ixpk= 1354, nxpk= 0, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 401, 402, 403, 405, 406, 407,
&end
#
# 1116 VAL QQG 1152 GLU H 3.85 (#peak 248
)
&rst
ixpk= 248, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 401, 402, 403, 405, 406, 407,
&end
#
# 1116 VAL QQG 1153 PRO HA 3.476 (#peak 544
)
&rst
ixpk= 544, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 401, 402, 403, 405, 406, 407,
&end
#
# 1116 VAL QQG 1154 VAL H 4.983 (#peak 365
)
&rst
ixpk= 365, nxpk= 0, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 401, 402, 403, 405, 406, 407,
&end
#
# 1117 ARG H 1117 ARG QG 5.082 (#peak 763
)
&rst
ixpk= 763, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 418, 419,
&end
#
# 1117 ARG H 1152 GLU QB 4.301 (#peak 762
)
&rst
ixpk= 762, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 986, 987,
&end
#
# 1117 ARG H 1154 VAL QQG 3.608 (#peak 764
)
&rst
ixpk= 764, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1017,1018,1019,1021,1022,1023,
&end
#
# 1117 ARG HA 1118 LEU QQD 4.235 (#peak 513
)
&rst
ixpk= 513, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 444, 445, 446, 448, 449, 450,
&end
#
# 1117 ARG HA 1154 VAL QQG 4.268 (#peak 513
)
&rst
ixpk= 513, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1017,1018,1019,1021,1022,1023,
&end
#
# 1117 ARG HB2 1154 VAL QQG 3.41 (#peak 1316
)
&rst
ixpk= 1316, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1017,1018,1019,1021,1022,1023,
&end
#
# 1117 ARG QG 1118 LEU H 3.96 (#peak 9
)
&rst
ixpk= 9, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 418, 419,
&end
#
# 1117 ARG QG 1121 GLY HA2 5.137 (#peak 2559
)
&rst
ixpk= 2559, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 418, 419,
&end
#
# 1117 ARG QG 1122 THR H 5.874 (#peak 771
)
&rst
ixpk= 771, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 418, 419,
&end
#
# 1117 ARG QG 1154 VAL QQG 3.729 (#peak 1340
)
&rst
ixpk= 1340, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 418, 419,
igr2=1017,1018,1019,1021,1022,1023,
&end
#
# 1117 ARG QD 1154 VAL QQG 4.213 (#peak 775
)
&rst
ixpk= 775, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 421, 422,
igr2=1017,1018,1019,1021,1022,1023,
&end
#
# 1118 LEU H 1118 LEU QQD 3.487 (#peak 10
)
&rst
ixpk= 10, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 444, 445, 446, 448, 449, 450,
&end
#
# 1118 LEU H 1119 PRO QD 5.885 (#peak 5
)
&rst
ixpk= 5, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 455, 456,
&end
#
# 1118 LEU HA 1118 LEU QQD 3.707 (#peak 562
)
&rst
ixpk= 562, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 444, 445, 446, 448, 449, 450,
&end
#
# 1118 LEU HA 1119 PRO QD 3.531 (#peak 277
)
&rst
ixpk= 277, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 455, 456,
&end
#
# 1118 LEU HB2 1119 PRO QD 4.664 (#peak 672
)
&rst
ixpk= 672, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 455, 456,
&end
#
# 1118 LEU HB3 1119 PRO QD 3.85 (#peak 662
)
&rst
ixpk= 662, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 455, 456,
&end
#
# 1118 LEU QQD 1119 PRO QD 4.301 (#peak 676
)
&rst
ixpk= 676, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 444, 445, 446, 448, 449, 450,
igr2= 455, 456,
&end
#
# 1118 LEU QQD 1120 SER H 5.643 (#peak 2270
)
&rst
ixpk= 2270, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 444, 445, 446, 448, 449, 450,
&end
#
# 1118 LEU QQD 1124 MET HB2 4.312 (#peak 566
)
&rst
ixpk= 566, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 444, 445, 446, 448, 449, 450,
&end
#
# 1118 LEU QQD 1124 MET HB3 4.191 (#peak 1867
)
&rst
ixpk= 1867, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 444, 445, 446, 448, 449, 450,
&end
#
# 1119 PRO QD 1120 SER H 3.883 (#peak 504
)
&rst
ixpk= 504, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 455, 456,
&end
#
# 1119 PRO QD 1146 LEU QD2 3.311 (#peak 723
)
&rst
ixpk= 723, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 455, 456,
igr2= 900, 901, 902,
&end
#
# 1119 PRO QD 1150 MET HB2 4.675 (#peak 724
)
&rst
ixpk= 724, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 455, 456,
&end
#
# 1119 PRO QD 1150 MET HB3 4.521 (#peak 728
)
&rst
ixpk= 728, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 455, 456,
&end
#
# 1119 PRO QD 1151 LEU QD2 4.499 (#peak 733
)
&rst
ixpk= 733, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 455, 456,
igr2= 976, 977, 978,
&end
#
# 1123 VAL QG2 1154 VAL QQG 3.531 (#peak 1356
)
&rst
ixpk= 1356, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 510, 511, 512,
igr2=1017,1018,1019,1021,1022,1023,
&end
#
# 1124 MET H 1154 VAL QQG 5.984 (#peak 2062
)
&rst
ixpk= 2062, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr2=1017,1018,1019,1021,1022,1023,
&end
#
# 1125 ASP HB2 1128 ILE QG1 5.258 (#peak 949
)
&rst
ixpk= 949, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 590, 591,
&end
#
# 1126 ARG H 1126 ARG QD 5.874 (#peak 687
)
&rst
ixpk= 687, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 555, 556,
&end
#
# 1126 ARG HA 1126 ARG QG 3.982 (#peak 707
)
&rst
ixpk= 707, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 552, 553,
&end
#
# 1126 ARG HA 1126 ARG QD 5.06 (#peak 1218
)
&rst
ixpk= 1218, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 555, 556,
&end
#
# 1126 ARG HA 1129 ILE QG1 5.412 (#peak 1882
)
&rst
ixpk= 1882, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 609, 610,
&end
#
# 1126 ARG QG 1127 SER H 4.697 (#peak 663
)
&rst
ixpk= 663, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 552, 553,
&end
#
# 1126 ARG QG 1129 ILE QG2 4.015 (#peak 1303
)
&rst
ixpk= 1303, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 552, 553,
igr2= 605, 606, 607,
&end
#
# 1126 ARG QG 1130 LEU HG 4.059 (#peak 485
)
&rst
ixpk= 485, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 552, 553,
&end
#
# 1126 ARG QG 1130 LEU QD2 4.147 (#peak 1334
)
&rst
ixpk= 1334, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 552, 553,
igr2= 631, 632, 633,
&end
#
# 1126 ARG QD 1127 SER HA 4.84 (#peak 216
)
&rst
ixpk= 216, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 555, 556,
&end
#
# 1126 ARG QD 1130 LEU HB3 5.863 (#peak 2510
)
&rst
ixpk= 2510, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 555, 556,
&end
#
# 1126 ARG QD 1130 LEU QD2 3.817 (#peak 763
)
&rst
ixpk= 763, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 555, 556,
igr2= 631, 632, 633,
&end
#
# 1127 SER QB 1128 ILE QG1 5.082 (#peak 995
)
&rst
ixpk= 995, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 573, 574,
igr2= 590, 591,
&end
#
# 1128 ILE H 1128 ILE QG1 3.454 (#peak 288
)
&rst
ixpk= 288, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 590, 591,
&end
#
# 1128 ILE HA 1128 ILE QG1 3.806 (#peak 702
)
&rst
ixpk= 702, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 590, 591,
&end
#
# 1128 ILE HA 1131 ARG QB 4.323 (#peak 344
)
&rst
ixpk= 344, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 641, 642,
&end
#
# 1128 ILE QG2 1128 ILE QG1 3.388 (#peak 472
)
&rst
ixpk= 472, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 586, 587, 588,
igr2= 590, 591,
&end
#
# 1128 ILE QG1 1129 ILE H 4.532 (#peak 619
)
&rst
ixpk= 619, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 590, 591,
&end
#
# 1129 ILE H 1129 ILE QG1 4.697 (#peak 622
)
&rst
ixpk= 622, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 609, 610,
&end
#
# 1129 ILE QG2 1129 ILE QG1 3.366 (#peak 1295
)
&rst
ixpk= 1295, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 605, 606, 607,
igr2= 609, 610,
&end
#
# 1129 ILE QG1 1130 LEU H 5.841 (#peak 2084
)
&rst
ixpk= 2084, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 609, 610,
&end
#
# 1129 ILE QG1 1133 LEU QQD 4.059 (#peak 1333
)
&rst
ixpk= 1333, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 609, 610,
igr2= 687, 688, 689, 691, 692, 693,
&end
#
# 1129 ILE QG1 1146 LEU QD1 4.51 (#peak 1294
)
&rst
ixpk= 1294, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 609, 610,
igr2= 896, 897, 898,
&end
#
# 1129 ILE QD1 1133 LEU QQD 4.708 (#peak 981
)
&rst
ixpk= 981, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1= 612, 613, 614,
igr2= 687, 688, 689, 691, 692, 693,
&end
#
# 1130 LEU H 1133 LEU QQD 5.984 (#peak 2589
)
&rst
ixpk= 2589, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr2= 687, 688, 689, 691, 692, 693,
&end
#
# 1130 LEU HA 1133 LEU QB 4.103 (#peak 639
)
&rst
ixpk= 639, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 682, 683,
&end
#
# 1130 LEU HA 1133 LEU QQD 4.389 (#peak 643
)
&rst
ixpk= 643, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 687, 688, 689, 691, 692, 693,
&end
#
# 1131 ARG H 1131 ARG QB 2.926 (#peak 421
)
&rst
ixpk= 421, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 641, 642,
&end
#
# 1131 ARG QB 1131 ARG QD 3.432 (#peak 224
)
&rst
ixpk= 224, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 641, 642,
igr2= 647, 648,
&end
#
# 1131 ARG QB 1132 HIS H 3.267 (#peak 323
)
&rst
ixpk= 323, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 641, 642,
&end
#
# 1133 LEU H 1133 LEU QB 3.454 (#peak 404
)
&rst
ixpk= 404, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 682, 683,
&end
#
# 1133 LEU HA 1133 LEU QQD 3.311 (#peak 886
)
&rst
ixpk= 886, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 687, 688, 689, 691, 692, 693,
&end
#
# 1133 LEU QB 1133 LEU QQD 3.069 (#peak 1331
)
&rst
ixpk= 1331, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 682, 683,
igr2= 687, 688, 689, 691, 692, 693,
&end
#
# 1133 LEU QB 1134 LEU H 3.685 (#peak 430
)
&rst
ixpk= 430, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 682, 683,
&end
#
# 1133 LEU QB 1134 LEU HA 5.225 (#peak 184
)
&rst
ixpk= 184, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 682, 683,
&end
#
# 1133 LEU QB 1136 SER H 5.874 (#peak 2097
)
&rst
ixpk= 2097, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 682, 683,
&end
#
# 1133 LEU QQD 1136 SER H 5.544 (#peak 598
)
&rst
ixpk= 598, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 687, 688, 689, 691, 692, 693,
&end
#
# 1133 LEU QQD 1137 PRO HA 3.41 (#peak 506
)
&rst
ixpk= 506, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 687, 688, 689, 691, 692, 693,
&end
#
# 1133 LEU QQD 1137 PRO QB 5.324 (#peak 1305
)
&rst
ixpk= 1305, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1= 687, 688, 689, 691, 692, 693,
igr2= 748, 749,
&end
#
# 1133 LEU QQD 1138 THR H 3.652 (#peak 809
)
&rst
ixpk= 809, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 687, 688, 689, 691, 692, 693,
&end
#
# 1133 LEU QQD 1138 THR HA 5.742 (#peak 2633
)
&rst
ixpk= 2633, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
igr1= 687, 688, 689, 691, 692, 693,
&end
#
# 1133 LEU QQD 1146 LEU H 5.28 (#peak 2594
)
&rst
ixpk= 2594, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 687, 688, 689, 691, 692, 693,
&end
#
# 1133 LEU QQD 1146 LEU HA 5.984 (#peak 2630
)
&rst
ixpk= 2630, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 687, 688, 689, 691, 692, 693,
&end
#
# 1133 LEU QQD 1146 LEU QB 4.29 (#peak 1341
)
&rst
ixpk= 1341, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 687, 688, 689, 691, 692, 693,
igr2= 891, 892,
&end
#
# 1133 LEU QQD 1148 GLU H 4.257 (#peak 372
)
&rst
ixpk= 372, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 687, 688, 689, 691, 692, 693,
&end
#
# 1133 LEU QQD 1148 GLU HA 3.916 (#peak 716
)
&rst
ixpk= 716, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 687, 688, 689, 691, 692, 693,
&end
#
# 1134 LEU H 1134 LEU QB 3.069 (#peak 429
)
&rst
ixpk= 429, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
igr2= 701, 702,
&end
#
# 1134 LEU H 1134 LEU QQD 3.96 (#peak 803
)
&rst
ixpk= 803, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 706, 707, 708, 710, 711, 712,
&end
#
# 1134 LEU HA 1134 LEU QQD 4.202 (#peak 1010
)
&rst
ixpk= 1010, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 706, 707, 708, 710, 711, 712,
&end
#
# 1134 LEU QB 1135 ASN H 3.96 (#peak 470
)
&rst
ixpk= 470, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 701, 702,
&end
#
# 1134 LEU QB 1135 ASN QB 4.972 (#peak 2186
)
&rst
ixpk= 2186, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 701, 702,
igr2= 720, 721,
&end
#
# 1134 LEU QB 1136 SER H 5.874 (#peak 599
)
&rst
ixpk= 599, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 701, 702,
&end
#
# 1134 LEU QQD 1135 ASN H 5.181 (#peak 805
)
&rst
ixpk= 805, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 706, 707, 708, 710, 711, 712,
&end
#
# 1135 ASN H 1136 SER QB 5.874 (#peak 804
)
&rst
ixpk= 804, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 734, 735,
&end
#
# 1135 ASN QB 1136 SER QB 4.73 (#peak 1207
)
&rst
ixpk= 1207, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 720, 721,
igr2= 734, 735,
&end
#
# 1136 SER H 1136 SER QB 3.872 (#peak 462
)
&rst
ixpk= 462, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 734, 735,
&end
#
# 1136 SER QB 1137 PRO QG 4.213 (#peak 2192
)
&rst
ixpk= 2192, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 734, 735,
igr2= 745, 746,
&end
#
# 1136 SER QB 1137 PRO QD 5.258 (#peak 1376
)
&rst
ixpk= 1376, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 734, 735,
igr2= 742, 743,
&end
#
# 1136 SER QB 1138 THR H 5.181 (#peak 769
)
&rst
ixpk= 769, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 734, 735,
&end
#
# 1137 PRO HA 1146 LEU QB 5.511 (#peak 1045
)
&rst
ixpk= 1045, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr2= 891, 892,
&end
#
# 1137 PRO QB 1138 THR H 4.444 (#peak 160
)
&rst
ixpk= 160, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 748, 749,
&end
#
# 1137 PRO QB 1146 LEU H 5.082 (#peak 225
)
&rst
ixpk= 225, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 748, 749,
&end
#
# 1138 THR H 1146 LEU QB 4.565 (#peak 652
)
&rst
ixpk= 652, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 891, 892,
&end
#
# 1138 THR HA 1146 LEU QB 4.477 (#peak 2618
)
&rst
ixpk= 2618, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 891, 892,
&end
#
# 1138 THR HB 1143 ARG QB 5.467 (#peak 235
)
&rst
ixpk= 235, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 833, 834,
&end
#
# 1138 THR QG2 1143 ARG QB 4.202 (#peak 1345
)
&rst
ixpk= 1345, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 761, 762, 763,
igr2= 833, 834,
&end
#
# 1139 ASP H 1143 ARG QB 5.852 (#peak 187
)
&rst
ixpk= 187, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 833, 834,
&end
#
# 1139 ASP H 1146 LEU QB 4.466 (#peak 2082
)
&rst
ixpk= 2082, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 891, 892,
&end
#
# 1139 ASP HB2 1146 LEU QB 5.544 (#peak 1250
)
&rst
ixpk= 1250, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 891, 892,
&end
#
# 1142 ASN H 1143 ARG QB 5.555 (#peak 178
)
&rst
ixpk= 178, nxpk= 0, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 833, 834,
&end
#
# 1142 ASN QB 1143 ARG HA 5.346 (#peak 1935
)
&rst
ixpk= 1935, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 819, 820,
&end
#
# 1143 ARG H 1143 ARG QB 3.883 (#peak 479
)
&rst
ixpk= 479, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 833, 834,
&end
#
# 1143 ARG QB 1143 ARG QD 3.938 (#peak 225
)
&rst
ixpk= 225, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 833, 834,
igr2= 839, 840,
&end
#
# 1145 MET H 1145 MET QB 2.915 (#peak 565
)
&rst
ixpk= 565, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2= 874, 875,
&end
#
# 1145 MET HA 1146 LEU QB 5.093 (#peak 2164
)
&rst
ixpk= 2164, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 891, 892,
&end
#
# 1145 MET QB 1146 LEU H 4.301 (#peak 693
)
&rst
ixpk= 693, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 874, 875,
&end
#
# 1145 MET QG 1146 LEU H 5.06 (#peak 2302
)
&rst
ixpk= 2302, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 877, 878,
&end
#
# 1146 LEU H 1146 LEU QB 3.586 (#peak 227
)
&rst
ixpk= 227, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 891, 892,
&end
#
# 1146 LEU QB 1146 LEU QD1 3.674 (#peak 1308
)
&rst
ixpk= 1308, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 891, 892,
igr2= 896, 897, 898,
&end
#
# 1146 LEU QB 1146 LEU QD2 3.608 (#peak 1298
)
&rst
ixpk= 1298, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 891, 892,
igr2= 900, 901, 902,
&end
#
# 1152 GLU H 1152 GLU QB 3.476 (#peak 245
)
&rst
ixpk= 245, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 986, 987,
&end
#
# 1152 GLU QB 1153 PRO HD2 4.653 (#peak 697
)
&rst
ixpk= 697, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 986, 987,
&end
#
# 1154 VAL H 1154 VAL QQG 3.553 (#peak 350
)
&rst
ixpk= 350, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1017,1018,1019,1021,1022,1023,
&end
#
# 1154 VAL HA 1154 VAL QQG 3.212 (#peak 542
)
&rst
ixpk= 542, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1017,1018,1019,1021,1022,1023,
&end
#
# 1154 VAL HA 1155 PRO QG 4.774 (#peak 539
)
&rst
ixpk= 539, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1031,1032,
&end
#
# 1154 VAL QQG 1155 PRO HD2 4.51 (#peak 675
)
&rst
ixpk= 675, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1017,1018,1019,1021,1022,1023,
&end
#
# 1154 VAL QQG 1156 GLU H 4.455 (#peak 1447
)
&rst
ixpk= 1447, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1017,1018,1019,1021,1022,1023,
&end
#
# 1154 VAL QQG 1156 GLU HA 5.984 (#peak 1887
)
&rst
ixpk= 1887, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1017,1018,1019,1021,1022,1023,
&end
#
# 1154 VAL QQG 1156 GLU QG 4.675 (#peak 1144
)
&rst
ixpk= 1144, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1017,1018,1019,1021,1022,1023,
igr2=1048,1049,
&end
#
# 1154 VAL QQG 1157 LEU H 3.157 (#peak 299
)
&rst
ixpk= 299, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=1017,1018,1019,1021,1022,1023,
&end
#
# 1154 VAL QQG 1157 LEU HB2 3.509 (#peak 1278
)
&rst
ixpk= 1278, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1017,1018,1019,1021,1022,1023,
&end
#
# 1154 VAL QQG 1158 LYS H 4.191 (#peak 333
)
&rst
ixpk= 333, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1017,1018,1019,1021,1022,1023,
&end
#
# 1154 VAL QQG 1159 GLU H 5.984 (#peak 846
)
&rst
ixpk= 846, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1017,1018,1019,1021,1022,1023,
&end
#
# 1154 VAL QQG 1161 ILE QD1 5.742 (#peak 914
)
&rst
ixpk= 914, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr1=1017,1018,1019,1021,1022,1023,
igr2=1142,1143,1144,
&end
#
# 1155 PRO HA 1158 LYS QG 5.335 (#peak 1209
)
&rst
ixpk= 1209, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1082,1083,
&end
#
# 1155 PRO QB 1156 GLU H 4.433 (#peak 1114
)
&rst
ixpk= 1114, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1034,1035,
&end
#
# 1155 PRO QB 1158 LYS HB3 4.609 (#peak 1199
)
&rst
ixpk= 1199, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1034,1035,
&end
#
# 1155 PRO QG 1156 GLU H 4.191 (#peak 155
)
&rst
ixpk= 155, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1031,1032,
&end
#
# 1157 LEU H 1160 GLN QG 5.588 (#peak 1383
)
&rst
ixpk= 1383, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1119,1120,
&end
#
# 1157 LEU HA 1157 LEU QQD 3.454 (#peak 887
)
&rst
ixpk= 887, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1065,1066,1067,1069,1070,1071,
&end
#
# 1157 LEU HA 1160 GLN QG 5.126 (#peak 2616
)
&rst
ixpk= 2616, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1119,1120,
&end
#
# 1157 LEU HB3 1157 LEU QQD 3.432 (#peak 1282
)
&rst
ixpk= 1282, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr2=1065,1066,1067,1069,1070,1071,
&end
#
# 1157 LEU QQD 1160 GLN H 5.225 (#peak 315
)
&rst
ixpk= 315, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1065,1066,1067,1069,1070,1071,
&end
#
# 1157 LEU QQD 1160 GLN HA 5.984 (#peak 1217
)
&rst
ixpk= 1217, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1065,1066,1067,1069,1070,1071,
&end
#
# 1157 LEU QQD 1160 GLN HB2 3.993 (#peak 1007
)
&rst
ixpk= 1007, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1065,1066,1067,1069,1070,1071,
&end
#
# 1157 LEU QQD 1161 ILE H 5.049 (#peak 2090
)
&rst
ixpk= 2090, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1065,1066,1067,1069,1070,1071,
&end
#
# 1157 LEU QQD 1161 ILE HG12 5.17 (#peak 2242
)
&rst
ixpk= 2242, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1065,1066,1067,1069,1070,1071,
&end
#
# 1157 LEU QQD 1161 ILE QD1 4.224 (#peak 913
)
&rst
ixpk= 913, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1=1065,1066,1067,1069,1070,1071,
igr2=1142,1143,1144,
&end
#
# 1158 LYS H 1160 GLN QG 5.874 (#peak 876
)
&rst
ixpk= 876, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1119,1120,
&end
#
# 1158 LYS HA 1158 LYS QG 3.751 (#peak 374
)
&rst
ixpk= 374, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1082,1083,
&end
#
# 1158 LYS QG 1159 GLU H 4.598 (#peak 533
)
&rst
ixpk= 533, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1082,1083,
&end
#
# 1158 LYS QG 1159 GLU HA 4.499 (#peak 638
)
&rst
ixpk= 638, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1082,1083,
&end
#
# 1158 LYS QG 1160 GLN H 5.874 (#peak 2285
)
&rst
ixpk= 2285, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1082,1083,
&end
#
# 1158 LYS QG 1162 GLN HG2 4.906 (#peak 1148
)
&rst
ixpk= 1148, nxpk= 0, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1082,1083,
&end
#
# 1159 GLU H 1160 GLN QG 5.324 (#peak 845
)
&rst
ixpk= 845, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1119,1120,
&end
#
# 1160 GLN H 1160 GLN QG 3.575 (#peak 311
)
&rst
ixpk= 311, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1119,1120,
&end
#
# 1160 GLN HA 1160 GLN QG 3.894 (#peak 819
)
&rst
ixpk= 819, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1119,1120,
&end
#
# 1167 GLU H 1167 GLU QG 4.664 (#peak 125
)
&rst
ixpk= 125, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1247,1248,
&end
#
# 1167 GLU HA 1167 GLU QG 4.026 (#peak 540
)
&rst
ixpk= 540, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1247,1248,
&end
#
# 1169 GLN H 1169 GLN QB 3.091 (#peak 435
)
&rst
ixpk= 435, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1281,1282,
&end
#
# 1169 GLN QB 1170 SER H 3.927 (#peak 459
)
&rst
ixpk= 459, nxpk= 0, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1281,1282,
&end
# 1344 atoms read from pdb file 01.amb.pdb.
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